smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164621933 719069890 /nfs/dbraw/zinc/06/98/90/719069890.db2.gz IIZWIDRMMUQNQC-IRXDYDNUSA-N 1 1 386.883 4.052 20 5 GIBDMO Cc1cc([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164622873 719071128 /nfs/dbraw/zinc/07/11/28/719071128.db2.gz JDWKIGXUGBBZGP-FUHWJXTLSA-N 1 1 386.883 4.052 20 5 GIBDMO COc1ccc(C([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 ZINC000055840835 823051615 /nfs/dbraw/zinc/05/16/15/823051615.db2.gz MISJUZLZNNUZQR-UHFFFAOYSA-N 1 1 378.428 4.491 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000055910176 823066100 /nfs/dbraw/zinc/06/61/00/823066100.db2.gz JLKWYKLAGISVTH-LJQANCHMSA-N 1 1 383.448 4.078 20 5 GIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000121191132 823135679 /nfs/dbraw/zinc/13/56/79/823135679.db2.gz LUUJXESRQJYYMI-MJGOQNOKSA-N 1 1 397.500 4.073 20 5 GIBDMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000121215013 823140230 /nfs/dbraw/zinc/14/02/30/823140230.db2.gz AUZFBEVQUILXBY-OXJNMPFZSA-N 1 1 382.464 4.112 20 5 GIBDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000121215148 823140293 /nfs/dbraw/zinc/14/02/93/823140293.db2.gz AUZFBEVQUILXBY-UZLBHIALSA-N 1 1 382.464 4.112 20 5 GIBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176580033 823241219 /nfs/dbraw/zinc/24/12/19/823241219.db2.gz OMQHWHXJNMWGFB-HOCLYGCPSA-N 1 1 387.867 4.031 20 5 GIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000459946804 823273744 /nfs/dbraw/zinc/27/37/44/823273744.db2.gz KCMLOTVDHYGLGD-CHWSQXEVSA-N 1 1 387.402 4.059 20 5 GIBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409670192 823279253 /nfs/dbraw/zinc/27/92/53/823279253.db2.gz QTRNDQBKEUGBGC-OAHLLOKOSA-N 1 1 377.448 4.060 20 5 GIBDMO CCOc1ccc(C[N@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000007592640 817875152 /nfs/dbraw/zinc/87/51/52/817875152.db2.gz SKHVKVOXFDXXHI-CQSZACIVSA-N 1 1 382.420 4.237 20 5 GIBDMO CCOc1ccc(C[N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000007592640 817875164 /nfs/dbraw/zinc/87/51/64/817875164.db2.gz SKHVKVOXFDXXHI-CQSZACIVSA-N 1 1 382.420 4.237 20 5 GIBDMO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000008248964 818022740 /nfs/dbraw/zinc/02/27/40/818022740.db2.gz YVZHYIOYHXCQQB-VIFPVBQESA-N 1 1 386.210 4.330 20 5 GIBDMO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000015372241 818318880 /nfs/dbraw/zinc/31/88/80/818318880.db2.gz CUSFTXUZLGLUIG-FQEVSTJZSA-N 1 1 384.432 4.197 20 5 GIBDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000015372241 818318884 /nfs/dbraw/zinc/31/88/84/818318884.db2.gz CUSFTXUZLGLUIG-FQEVSTJZSA-N 1 1 384.432 4.197 20 5 GIBDMO O=C(CC[N@@H+](Cc1ccco1)Cc1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000409894432 823338027 /nfs/dbraw/zinc/33/80/27/823338027.db2.gz CSZIEZQCOCISQF-UHFFFAOYSA-N 1 1 385.445 4.280 20 5 GIBDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000020544704 818624928 /nfs/dbraw/zinc/62/49/28/818624928.db2.gz PLAWYJWTRPBRHJ-UHFFFAOYSA-N 1 1 382.464 4.068 20 5 GIBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000177402585 823454302 /nfs/dbraw/zinc/45/43/02/823454302.db2.gz IIUAZSZSFHJIBL-DLBZAZTESA-N 1 1 388.468 4.060 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@](F)(c4ccccc4)C3)o2)c1 ZINC000573340979 823481860 /nfs/dbraw/zinc/48/18/60/823481860.db2.gz MNXFFBNUWRIPJC-OAQYLSRUSA-N 1 1 381.407 4.363 20 5 GIBDMO Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000059286423 823489634 /nfs/dbraw/zinc/48/96/34/823489634.db2.gz KBBJNNUFNOJKJP-CALCHBBNSA-N 1 1 395.503 4.311 20 5 GIBDMO CC[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000030224118 820589850 /nfs/dbraw/zinc/58/98/50/820589850.db2.gz AWYBIGFXVUEOHR-INIZCTEOSA-N 1 1 389.477 4.003 20 5 GIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000460732217 823498518 /nfs/dbraw/zinc/49/85/18/823498518.db2.gz FKECXZPPLPUGRL-QGZVFWFLSA-N 1 1 381.476 4.065 20 5 GIBDMO C[N@@H+](Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000059888529 823501774 /nfs/dbraw/zinc/50/17/74/823501774.db2.gz VDNFKHUUDZXDJC-UHFFFAOYSA-N 1 1 381.476 4.289 20 5 GIBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC1CCCCC1 ZINC000060495413 823534530 /nfs/dbraw/zinc/53/45/30/823534530.db2.gz MGNCBTZUKRHBTK-UHFFFAOYSA-N 1 1 377.485 4.224 20 5 GIBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000180870738 821504995 /nfs/dbraw/zinc/50/49/95/821504995.db2.gz IXDJVBWLPBIFBY-DZGCQCFKSA-N 1 1 376.840 4.243 20 5 GIBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(Br)cc1 ZINC000181123295 821647507 /nfs/dbraw/zinc/64/75/07/821647507.db2.gz UWPGKBXYODTJTQ-SNVBAGLBSA-N 1 1 376.210 4.349 20 5 GIBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1OCC ZINC000181389888 821801557 /nfs/dbraw/zinc/80/15/57/821801557.db2.gz HVLRIYWKUXVALT-CYBMUJFWSA-N 1 1 385.420 4.384 20 5 GIBDMO Cc1sc2[nH]c([C@@H](C)[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000178688601 822403207 /nfs/dbraw/zinc/40/32/07/822403207.db2.gz CTWQFRZZXUJKRG-VXGBXAGGSA-N 1 1 386.477 4.230 20 5 GIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000045790116 822413924 /nfs/dbraw/zinc/41/39/24/822413924.db2.gz BXGQYVHVUHJBKG-UHFFFAOYSA-N 1 1 390.871 4.410 20 5 GIBDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178870553 822417885 /nfs/dbraw/zinc/41/78/85/822417885.db2.gz YQJRDBSUGRSUAC-NRFANRHFSA-N 1 1 377.444 4.207 20 5 GIBDMO C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000046599319 822490308 /nfs/dbraw/zinc/49/03/08/822490308.db2.gz OPKSHISFUPKTIX-UHFFFAOYSA-N 1 1 382.247 4.362 20 5 GIBDMO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1F ZINC000179772210 822549643 /nfs/dbraw/zinc/54/96/43/822549643.db2.gz XHFQMNLENSSDPP-HNNXBMFYSA-N 1 1 383.782 4.206 20 5 GIBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000047187689 822552468 /nfs/dbraw/zinc/55/24/68/822552468.db2.gz LFXGMTIIQGLAPS-CQSZACIVSA-N 1 1 375.494 4.194 20 5 GIBDMO Cc1nccn1-c1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000180177231 822632968 /nfs/dbraw/zinc/63/29/68/822632968.db2.gz XAKFMBDCOUZWIL-HSZRJFAPSA-N 1 1 399.454 4.363 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000184519997 822649974 /nfs/dbraw/zinc/64/99/74/822649974.db2.gz CGYDBXHROKJJMD-CQSZACIVSA-N 1 1 396.472 4.316 20 5 GIBDMO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cc([N+](=O)[O-])cc4c3OCOC4)oc21 ZINC000180358806 822669817 /nfs/dbraw/zinc/66/98/17/822669817.db2.gz RRSQYDOHWUDMMN-CYBMUJFWSA-N 1 1 398.415 4.457 20 5 GIBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000180412889 822677498 /nfs/dbraw/zinc/67/74/98/822677498.db2.gz MZBYBBJTCNUFMK-HNNXBMFYSA-N 1 1 377.238 4.361 20 5 GIBDMO COC(=O)c1cccc(-c2nc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000180437819 822681956 /nfs/dbraw/zinc/68/19/56/822681956.db2.gz MSSMTJHADCXFLN-CYBMUJFWSA-N 1 1 397.456 4.356 20 5 GIBDMO Cc1c(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000569158324 822885594 /nfs/dbraw/zinc/88/55/94/822885594.db2.gz TVBWUKWSMLVXHM-IBGZPJMESA-N 1 1 396.491 4.327 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)o2)cc1 ZINC000186443553 822896600 /nfs/dbraw/zinc/89/66/00/822896600.db2.gz NOJUUNHZBWADOB-QFIPXVFZSA-N 1 1 376.412 4.486 20 5 GIBDMO CCOc1ccc([C@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000186641907 822928369 /nfs/dbraw/zinc/92/83/69/822928369.db2.gz KPDXJGNOSVLIEF-QKKBWIMNSA-N 1 1 398.438 4.306 20 5 GIBDMO COc1ccc(-c2ccc(C[NH2+][C@@H]3c4ccccc4O[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000570076033 823003783 /nfs/dbraw/zinc/00/37/83/823003783.db2.gz SDWQSHPSERZPAC-ASSNKEHSSA-N 1 1 380.400 4.475 20 5 GIBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000187324379 823043678 /nfs/dbraw/zinc/04/36/78/823043678.db2.gz RARFERPVRFKVNV-QGZVFWFLSA-N 1 1 389.883 4.135 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000411297387 823562863 /nfs/dbraw/zinc/56/28/63/823562863.db2.gz SZTJNVVEAHDNHE-QGZVFWFLSA-N 1 1 387.436 4.142 20 5 GIBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000461259355 823606793 /nfs/dbraw/zinc/60/67/93/823606793.db2.gz BTMGCRZMQIMKOG-LJQANCHMSA-N 1 1 396.491 4.285 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000124612451 823611062 /nfs/dbraw/zinc/61/10/62/823611062.db2.gz HHBSLPWRMJHOJH-CEXWTWQISA-N 1 1 397.519 4.363 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1F ZINC000191394159 823680103 /nfs/dbraw/zinc/68/01/03/823680103.db2.gz SRGIQBXXXGCGGP-UHFFFAOYSA-N 1 1 397.410 4.167 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](Cc3ccccc3)CC3CCC3)o2)cc1 ZINC000125843049 823726234 /nfs/dbraw/zinc/72/62/34/823726234.db2.gz ZEEOSSAYXUXTDX-UHFFFAOYSA-N 1 1 378.432 4.447 20 5 GIBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2cccnc21 ZINC000413280302 823744361 /nfs/dbraw/zinc/74/43/61/823744361.db2.gz IORGUFSDGKHRAQ-OAHLLOKOSA-N 1 1 377.448 4.060 20 5 GIBDMO CSCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1nnc2ccccn21 ZINC000164259865 823790199 /nfs/dbraw/zinc/79/01/99/823790199.db2.gz KHJOCHYZVSDRET-ZBFHGGJFSA-N 1 1 385.493 4.091 20 5 GIBDMO CC(C)[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350064 823798611 /nfs/dbraw/zinc/79/86/11/823798611.db2.gz BJFSIHXRISELQA-QFIPXVFZSA-N 1 1 381.476 4.073 20 5 GIBDMO CC(C)[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350064 823798613 /nfs/dbraw/zinc/79/86/13/823798613.db2.gz BJFSIHXRISELQA-QFIPXVFZSA-N 1 1 381.476 4.073 20 5 GIBDMO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000165466046 823849860 /nfs/dbraw/zinc/84/98/60/823849860.db2.gz ZMVFQGHBGSAGSQ-JKSUJKDBSA-N 1 1 380.448 4.241 20 5 GIBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000165465833 823849995 /nfs/dbraw/zinc/84/99/95/823849995.db2.gz ZMVFQGHBGSAGSQ-HOTGVXAUSA-N 1 1 380.448 4.241 20 5 GIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000064726231 823872556 /nfs/dbraw/zinc/87/25/56/823872556.db2.gz YZZXWCLQFDJLNV-VBQJREDUSA-N 1 1 387.505 4.287 20 5 GIBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000414553339 824010883 /nfs/dbraw/zinc/01/08/83/824010883.db2.gz QYODPJLNLCDPFZ-MRXNPFEDSA-N 1 1 399.516 4.300 20 5 GIBDMO CSCC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nnc2ccccn21 ZINC000192622676 824048218 /nfs/dbraw/zinc/04/82/18/824048218.db2.gz MGSHVAOQZKLYQZ-QZTJIDSGSA-N 1 1 397.504 4.099 20 5 GIBDMO C[C@@H]1C[NH2+]CC[C@H]1NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000414936648 824051850 /nfs/dbraw/zinc/05/18/50/824051850.db2.gz GYMCLZGPHXGKBE-CXAGYDPISA-N 1 1 375.856 4.128 20 5 GIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000071954850 205299705 /nfs/dbraw/zinc/29/97/05/205299705.db2.gz HZBSBVGNMNMHSO-CQSZACIVSA-N 1 1 385.493 4.148 20 5 GIBDMO c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2ccc3ccc4cccnc4c3n2)c1 ZINC001164730503 720355866 /nfs/dbraw/zinc/35/58/66/720355866.db2.gz ZTUAZIUJYYCRDA-SFTDATJTSA-N 1 1 381.483 4.031 20 5 GIBDMO CC(C)(O)c1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000187497481 823075422 /nfs/dbraw/zinc/07/54/22/823075422.db2.gz GVFTYAZGHCDAMG-UHFFFAOYSA-N 1 1 383.473 4.236 20 5 GIBDMO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CCO2 ZINC000187548042 823086525 /nfs/dbraw/zinc/08/65/25/823086525.db2.gz XVOQQSGGCSGPJV-MRXNPFEDSA-N 1 1 394.374 4.208 20 5 GIBDMO Cc1nn(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121097834 823117836 /nfs/dbraw/zinc/11/78/36/823117836.db2.gz LUKWFDLFDWULFV-OAHLLOKOSA-N 1 1 391.431 4.231 20 5 GIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000121322102 823162946 /nfs/dbraw/zinc/16/29/46/823162946.db2.gz KNVGGSOQSHXMFR-HNNXBMFYSA-N 1 1 385.439 4.038 20 5 GIBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176579980 823241244 /nfs/dbraw/zinc/24/12/44/823241244.db2.gz OMQHWHXJNMWGFB-GDBMZVCRSA-N 1 1 387.867 4.031 20 5 GIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000571845098 823244552 /nfs/dbraw/zinc/24/45/52/823244552.db2.gz UMBIUNYDVVTSOB-KRWDZBQOSA-N 1 1 396.491 4.286 20 5 GIBDMO O=C(CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000121947220 823282915 /nfs/dbraw/zinc/28/29/15/823282915.db2.gz MRWPYIHPJGPAMX-KRWDZBQOSA-N 1 1 396.472 4.370 20 5 GIBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4cccnc43)CC2)c(Cl)c1 ZINC000014813654 818269468 /nfs/dbraw/zinc/26/94/68/818269468.db2.gz YZAMNESGGLQUBP-UHFFFAOYSA-N 1 1 382.851 4.119 20 5 GIBDMO O=C(CC[N@@H+](Cc1ccco1)Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000409877438 823333623 /nfs/dbraw/zinc/33/36/23/823333623.db2.gz CLLGLJAGAXBTHH-UHFFFAOYSA-N 1 1 379.416 4.219 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000025507404 819992509 /nfs/dbraw/zinc/99/25/09/819992509.db2.gz WQKRGLGVTZVSAR-QGZVFWFLSA-N 1 1 381.476 4.185 20 5 GIBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccc(Cl)s1 ZINC000026250447 820074850 /nfs/dbraw/zinc/07/48/50/820074850.db2.gz KCTGYSXFTNWVEN-UHFFFAOYSA-N 1 1 397.884 4.169 20 5 GIBDMO Cc1c(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000410370955 823478405 /nfs/dbraw/zinc/47/84/05/823478405.db2.gz DYADXRZEUBWQFT-INIZCTEOSA-N 1 1 396.491 4.457 20 5 GIBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000059060707 823485294 /nfs/dbraw/zinc/48/52/94/823485294.db2.gz MJZMYBKZYGAFKG-GASCZTMLSA-N 1 1 387.505 4.064 20 5 GIBDMO CC[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000030224119 820589702 /nfs/dbraw/zinc/58/97/02/820589702.db2.gz AWYBIGFXVUEOHR-MRXNPFEDSA-N 1 1 389.477 4.003 20 5 GIBDMO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000123562904 823521636 /nfs/dbraw/zinc/52/16/36/823521636.db2.gz JWXZBVPLBLXDDG-UHFFFAOYSA-N 1 1 387.505 4.014 20 5 GIBDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4nc5cc([N+](=O)[O-])ccc5o4)C3)nc2c1 ZINC000181150835 821665615 /nfs/dbraw/zinc/66/56/15/821665615.db2.gz HCFFBVTWWCWSPG-AWEZNQCLSA-N 1 1 391.431 4.300 20 5 GIBDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4nc5cc([N+](=O)[O-])ccc5o4)C3)[nH]c2c1 ZINC000181150835 821665620 /nfs/dbraw/zinc/66/56/20/821665620.db2.gz HCFFBVTWWCWSPG-AWEZNQCLSA-N 1 1 391.431 4.300 20 5 GIBDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4nc5cc([N+](=O)[O-])ccc5o4)C3)[nH]c2c1 ZINC000181150835 821665626 /nfs/dbraw/zinc/66/56/26/821665626.db2.gz HCFFBVTWWCWSPG-AWEZNQCLSA-N 1 1 391.431 4.300 20 5 GIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000181938648 822040487 /nfs/dbraw/zinc/04/04/87/822040487.db2.gz MLRYXGQYIZHIHF-UYAOXDASSA-N 1 1 399.516 4.271 20 5 GIBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000182159248 822123051 /nfs/dbraw/zinc/12/30/51/822123051.db2.gz USTRFLTZCHCREO-PXNSSMCTSA-N 1 1 395.459 4.043 20 5 GIBDMO Cc1cccc(C(=O)N2CCC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000182647289 822337341 /nfs/dbraw/zinc/33/73/41/822337341.db2.gz GUNKFYFPHLLMHJ-SFHVURJKSA-N 1 1 381.476 4.121 20 5 GIBDMO Cc1cccc(C(=O)N2CCC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000182647289 822337360 /nfs/dbraw/zinc/33/73/60/822337360.db2.gz GUNKFYFPHLLMHJ-SFHVURJKSA-N 1 1 381.476 4.121 20 5 GIBDMO COc1ccc([C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 ZINC000179682354 822526465 /nfs/dbraw/zinc/52/64/65/822526465.db2.gz FTGBBUAQXRNAMH-FQEVSTJZSA-N 1 1 379.416 4.499 20 5 GIBDMO COc1cc(C[NH2+]C2(c3cccc(F)c3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000179703290 822530985 /nfs/dbraw/zinc/53/09/85/822530985.db2.gz ABVGMSDIMMPRQT-UHFFFAOYSA-N 1 1 382.338 4.123 20 5 GIBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000047262091 822559619 /nfs/dbraw/zinc/55/96/19/822559619.db2.gz PQVUIXUONFXIOP-HIFRSBDPSA-N 1 1 388.855 4.055 20 5 GIBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccc3c(c2)OCCO3)c2ccccc2)c1 ZINC000179988171 822591601 /nfs/dbraw/zinc/59/16/01/822591601.db2.gz XZEIKWXUTMYJMK-JOCHJYFZSA-N 1 1 376.412 4.245 20 5 GIBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])cc1F ZINC000184240295 822601306 /nfs/dbraw/zinc/60/13/06/822601306.db2.gz BBIQVSIWSHRURG-CYBMUJFWSA-N 1 1 385.395 4.263 20 5 GIBDMO CC(C)(O)C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000180210994 822640206 /nfs/dbraw/zinc/64/02/06/822640206.db2.gz DXFYXOMROVSPEI-UHFFFAOYSA-N 1 1 381.432 4.023 20 5 GIBDMO CC(C)(O)C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000180210994 822640208 /nfs/dbraw/zinc/64/02/08/822640208.db2.gz DXFYXOMROVSPEI-UHFFFAOYSA-N 1 1 381.432 4.023 20 5 GIBDMO Cc1ccc([C@H](C)NCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000180276311 822652895 /nfs/dbraw/zinc/65/28/95/822652895.db2.gz ZHUBWTASPHVIFT-SFHVURJKSA-N 1 1 396.535 4.284 20 5 GIBDMO O=C(C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1 ZINC000180336575 822665628 /nfs/dbraw/zinc/66/56/28/822665628.db2.gz ZDPZSDWFVMZVJB-OAQYLSRUSA-N 1 1 379.391 4.052 20 5 GIBDMO CCOc1cc(C[N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000051706506 822775316 /nfs/dbraw/zinc/77/53/16/822775316.db2.gz FOBLSWFDSYXHII-UHFFFAOYSA-N 1 1 396.390 4.236 20 5 GIBDMO CCOc1cc(C[N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000051706506 822775319 /nfs/dbraw/zinc/77/53/19/822775319.db2.gz FOBLSWFDSYXHII-UHFFFAOYSA-N 1 1 396.390 4.236 20 5 GIBDMO COc1ccc2cc(C[N@H+](C)Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)ccc2c1 ZINC000052689576 822807395 /nfs/dbraw/zinc/80/73/95/822807395.db2.gz CZBXTEIMOAGHSI-UHFFFAOYSA-N 1 1 376.416 4.265 20 5 GIBDMO COc1ccc2cc(C[N@@H+](C)Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)ccc2c1 ZINC000052689576 822807397 /nfs/dbraw/zinc/80/73/97/822807397.db2.gz CZBXTEIMOAGHSI-UHFFFAOYSA-N 1 1 376.416 4.265 20 5 GIBDMO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000052897558 822814650 /nfs/dbraw/zinc/81/46/50/822814650.db2.gz CVUGFSOTEBHWMG-UHFFFAOYSA-N 1 1 395.381 4.463 20 5 GIBDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000052897558 822814652 /nfs/dbraw/zinc/81/46/52/822814652.db2.gz CVUGFSOTEBHWMG-UHFFFAOYSA-N 1 1 395.381 4.463 20 5 GIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724579 822814682 /nfs/dbraw/zinc/81/46/82/822814682.db2.gz QFOKUKOEQSSNPU-IAGOWNOFSA-N 1 1 375.513 4.125 20 5 GIBDMO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)n2C ZINC000185834012 822825518 /nfs/dbraw/zinc/82/55/18/822825518.db2.gz ZXHYIFLJDBZZPL-UHFFFAOYSA-N 1 1 392.415 4.040 20 5 GIBDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000186044583 822846699 /nfs/dbraw/zinc/84/66/99/822846699.db2.gz BUAFKALONSJYBW-OAQYLSRUSA-N 1 1 378.432 4.242 20 5 GIBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1[N+](=O)[O-] ZINC000124160792 823573258 /nfs/dbraw/zinc/57/32/58/823573258.db2.gz IJYARAJZOQOGIC-SFHVURJKSA-N 1 1 397.523 4.416 20 5 GIBDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000412061470 823625089 /nfs/dbraw/zinc/62/50/89/823625089.db2.gz HROYBEPGCHRYAN-AWEZNQCLSA-N 1 1 389.452 4.070 20 5 GIBDMO Cn1ccnc1[C@@H]([NH2+]CCCc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000574345493 823705660 /nfs/dbraw/zinc/70/56/60/823705660.db2.gz FJRYSVIAEMXWPN-NRFANRHFSA-N 1 1 389.459 4.121 20 5 GIBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413142897 823714697 /nfs/dbraw/zinc/71/46/97/823714697.db2.gz OGUWFPIBNDEJMK-KGLIPLIRSA-N 1 1 386.418 4.099 20 5 GIBDMO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125939912 823749198 /nfs/dbraw/zinc/74/91/98/823749198.db2.gz YGFZOZNNGQWXTH-BFUOFWGJSA-N 1 1 381.457 4.201 20 5 GIBDMO CC(C)[C@H](NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1ccccc1 ZINC000064350099 823798256 /nfs/dbraw/zinc/79/82/56/823798256.db2.gz DNBGSUFAYQUPRC-QFIPXVFZSA-N 1 1 383.492 4.319 20 5 GIBDMO CC(C)[C@H](NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1ccccc1 ZINC000064350099 823798265 /nfs/dbraw/zinc/79/82/65/823798265.db2.gz DNBGSUFAYQUPRC-QFIPXVFZSA-N 1 1 383.492 4.319 20 5 GIBDMO COc1cccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000164375688 823798955 /nfs/dbraw/zinc/79/89/55/823798955.db2.gz GUVQTHONMYHEFR-FQEVSTJZSA-N 1 1 383.448 4.078 20 5 GIBDMO Cc1ccccc1[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000126429376 823865150 /nfs/dbraw/zinc/86/51/50/823865150.db2.gz BLHFMINBUADDLY-NRFANRHFSA-N 1 1 393.443 4.174 20 5 GIBDMO COc1cc(C[NH2+][C@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000192355852 823957693 /nfs/dbraw/zinc/95/76/93/823957693.db2.gz FGYWRKRJWUZSNI-AWEZNQCLSA-N 1 1 394.374 4.078 20 5 GIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)C[C@H]1CCC[N@H+]1CC ZINC000570838646 823093921 /nfs/dbraw/zinc/09/39/21/823093921.db2.gz IUXZIIXKOYPLTP-MRXNPFEDSA-N 1 1 379.526 4.043 20 5 GIBDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)n2C ZINC000187590754 823094051 /nfs/dbraw/zinc/09/40/51/823094051.db2.gz FWVGIGROOGAHLR-UHFFFAOYSA-N 1 1 376.416 4.340 20 5 GIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCCOC(C)C)c([N+](=O)[O-])c1 ZINC000570889971 823103102 /nfs/dbraw/zinc/10/31/02/823103102.db2.gz AKDUHQJCYJQSPB-OAQYLSRUSA-N 1 1 399.491 4.330 20 5 GIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCCOC(C)C)c([N+](=O)[O-])c1 ZINC000570889971 823103103 /nfs/dbraw/zinc/10/31/03/823103103.db2.gz AKDUHQJCYJQSPB-OAQYLSRUSA-N 1 1 399.491 4.330 20 5 GIBDMO C[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176581731 823241505 /nfs/dbraw/zinc/24/15/05/823241505.db2.gz XDOGIDSIOUJAGA-WMLDXEAASA-N 1 1 387.867 4.031 20 5 GIBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)nc2c1 ZINC000121824284 823258488 /nfs/dbraw/zinc/25/84/88/823258488.db2.gz AZGZARKHDNEHSZ-YOEHRIQHSA-N 1 1 385.420 4.197 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000057449359 823298735 /nfs/dbraw/zinc/29/87/35/823298735.db2.gz KSOHQPMLBKVCMH-UHFFFAOYSA-N 1 1 375.428 4.221 20 5 GIBDMO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000015372242 818318981 /nfs/dbraw/zinc/31/89/81/818318981.db2.gz CUSFTXUZLGLUIG-HXUWFJFHSA-N 1 1 384.432 4.197 20 5 GIBDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000015372242 818318988 /nfs/dbraw/zinc/31/89/88/818318988.db2.gz CUSFTXUZLGLUIG-HXUWFJFHSA-N 1 1 384.432 4.197 20 5 GIBDMO CCOc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000409865368 823329837 /nfs/dbraw/zinc/32/98/37/823329837.db2.gz SAMKJYPMXXPKTH-LJQANCHMSA-N 1 1 383.448 4.159 20 5 GIBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000410000364 823367801 /nfs/dbraw/zinc/36/78/01/823367801.db2.gz LNJAVUKBEWOKML-QGZVFWFLSA-N 1 1 396.491 4.189 20 5 GIBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000122629828 823384740 /nfs/dbraw/zinc/38/47/40/823384740.db2.gz LZGPNUCFPMQPJZ-OXQOHEQNSA-N 1 1 396.491 4.141 20 5 GIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189298078 823389820 /nfs/dbraw/zinc/38/98/20/823389820.db2.gz XZHFKJJXGNIFMR-OAHLLOKOSA-N 1 1 378.432 4.369 20 5 GIBDMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000027554293 820259291 /nfs/dbraw/zinc/25/92/91/820259291.db2.gz JLEWFGVPJOZMCA-JTQLQIEISA-N 1 1 398.282 4.050 20 5 GIBDMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000027554293 820259299 /nfs/dbraw/zinc/25/92/99/820259299.db2.gz JLEWFGVPJOZMCA-JTQLQIEISA-N 1 1 398.282 4.050 20 5 GIBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000123187968 823475999 /nfs/dbraw/zinc/47/59/99/823475999.db2.gz BNFFNEZSTPNKAD-IFXJQAMLSA-N 1 1 396.472 4.148 20 5 GIBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000123188137 823476296 /nfs/dbraw/zinc/47/62/96/823476296.db2.gz BNFFNEZSTPNKAD-AUUYWEPGSA-N 1 1 396.472 4.148 20 5 GIBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000123237827 823483312 /nfs/dbraw/zinc/48/33/12/823483312.db2.gz XVFDKQZQIVYPNT-INIZCTEOSA-N 1 1 393.553 4.147 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000029844007 820531468 /nfs/dbraw/zinc/53/14/68/820531468.db2.gz JAZHSNNKTXRRMB-INIZCTEOSA-N 1 1 397.475 4.233 20 5 GIBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000031053763 820729312 /nfs/dbraw/zinc/72/93/12/820729312.db2.gz TXVARTQWJJSRCK-UHFFFAOYSA-N 1 1 382.247 4.362 20 5 GIBDMO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000190057405 823531908 /nfs/dbraw/zinc/53/19/08/823531908.db2.gz LSLXRCFODSSGGU-DYVFJYSZSA-N 1 1 376.840 4.243 20 5 GIBDMO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000190057405 823531912 /nfs/dbraw/zinc/53/19/12/823531912.db2.gz LSLXRCFODSSGGU-DYVFJYSZSA-N 1 1 376.840 4.243 20 5 GIBDMO Cn1cc(C[N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C(F)(F)F)n1 ZINC000180792348 821460703 /nfs/dbraw/zinc/46/07/03/821460703.db2.gz BXBBZFQOVIMCRW-UHFFFAOYSA-N 1 1 394.353 4.239 20 5 GIBDMO Cn1cc(C[N@@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C(F)(F)F)n1 ZINC000180792348 821460709 /nfs/dbraw/zinc/46/07/09/821460709.db2.gz BXBBZFQOVIMCRW-UHFFFAOYSA-N 1 1 394.353 4.239 20 5 GIBDMO Cn1cc(C[N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C(F)(F)F)n1 ZINC000180791876 821460857 /nfs/dbraw/zinc/46/08/57/821460857.db2.gz NELGFNSSMBWFGE-UHFFFAOYSA-N 1 1 394.353 4.239 20 5 GIBDMO Cn1cc(C[N@@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C(F)(F)F)n1 ZINC000180791876 821460867 /nfs/dbraw/zinc/46/08/67/821460867.db2.gz NELGFNSSMBWFGE-UHFFFAOYSA-N 1 1 394.353 4.239 20 5 GIBDMO C[S@@](=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180932407 821544695 /nfs/dbraw/zinc/54/46/95/821544695.db2.gz FFEBURJKXPXUIA-KDYSTLNUSA-N 1 1 380.469 4.211 20 5 GIBDMO Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000044877325 821676473 /nfs/dbraw/zinc/67/64/73/821676473.db2.gz VNZWZDRWFUPALC-MRXNPFEDSA-N 1 1 381.476 4.065 20 5 GIBDMO Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000044877322 821676504 /nfs/dbraw/zinc/67/65/04/821676504.db2.gz VNZWZDRWFUPALC-INIZCTEOSA-N 1 1 381.476 4.065 20 5 GIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000181428607 821822110 /nfs/dbraw/zinc/82/21/10/821822110.db2.gz DHBIDIWQXHESLE-UHFFFAOYSA-N 1 1 391.537 4.186 20 5 GIBDMO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181664803 821932043 /nfs/dbraw/zinc/93/20/43/821932043.db2.gz MRFIIXSHVBDJNH-ZIAGYGMSSA-N 1 1 387.505 4.192 20 5 GIBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182208170 822147937 /nfs/dbraw/zinc/14/79/37/822147937.db2.gz AULYVBDRMFUSQS-AWEZNQCLSA-N 1 1 399.944 4.111 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000178729081 822405970 /nfs/dbraw/zinc/40/59/70/822405970.db2.gz LXHHQEQJWMXXTA-CYBMUJFWSA-N 1 1 384.411 4.087 20 5 GIBDMO C[N@@H+](Cc1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000045930130 822424194 /nfs/dbraw/zinc/42/41/94/822424194.db2.gz MCYKCRJRWITAPA-UHFFFAOYSA-N 1 1 397.475 4.377 20 5 GIBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183187323 822437978 /nfs/dbraw/zinc/43/79/78/822437978.db2.gz QXRZHLIDJANJFY-UHFFFAOYSA-N 1 1 388.777 4.301 20 5 GIBDMO Cc1nc(COc2ccc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2)no1 ZINC000179320584 822465620 /nfs/dbraw/zinc/46/56/20/822465620.db2.gz DIOUMYHZSJDXFW-UHFFFAOYSA-N 1 1 396.447 4.276 20 5 GIBDMO Cc1ccc(NCc2ccc([N+](=O)[O-])cc2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000183407966 822469843 /nfs/dbraw/zinc/46/98/43/822469843.db2.gz KAPMZCIRSBMBGM-UHFFFAOYSA-N 1 1 396.491 4.248 20 5 GIBDMO C[C@H]([NH2+]Cc1nnc2ccccn21)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000183795951 822528847 /nfs/dbraw/zinc/52/88/47/822528847.db2.gz ZRUFMUBPDXGJAJ-ZDUSSCGKSA-N 1 1 379.445 4.217 20 5 GIBDMO CC(C)[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(C2CC2)no1 ZINC000179830833 822561825 /nfs/dbraw/zinc/56/18/25/822561825.db2.gz CWIZFTIGHIGUHQ-GOSISDBHSA-N 1 1 397.435 4.040 20 5 GIBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2cccnc2-n2ccnc2)c2ccccc2)c1 ZINC000180086616 822612503 /nfs/dbraw/zinc/61/25/03/822612503.db2.gz ZHCHFTJXHVERQM-OAQYLSRUSA-N 1 1 385.427 4.055 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184519976 822650009 /nfs/dbraw/zinc/65/00/09/822650009.db2.gz CGYDBXHROKJJMD-AWEZNQCLSA-N 1 1 396.472 4.316 20 5 GIBDMO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)c1cccc(OC)c1 ZINC000052706290 822807783 /nfs/dbraw/zinc/80/77/83/822807783.db2.gz OSSYDXCRXYWBAY-CQSZACIVSA-N 1 1 382.420 4.237 20 5 GIBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)c1cccc(OC)c1 ZINC000052706290 822807785 /nfs/dbraw/zinc/80/77/85/822807785.db2.gz OSSYDXCRXYWBAY-CQSZACIVSA-N 1 1 382.420 4.237 20 5 GIBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000174670432 822821521 /nfs/dbraw/zinc/82/15/21/822821521.db2.gz HXXXMTUBTBEYDZ-SJORKVTESA-N 1 1 391.537 4.042 20 5 GIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569058952 822875072 /nfs/dbraw/zinc/87/50/72/822875072.db2.gz VQYDRZOTHMHCMR-WOJBJXKFSA-N 1 1 388.471 4.101 20 5 GIBDMO CC[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C ZINC000569516618 822933186 /nfs/dbraw/zinc/93/31/86/822933186.db2.gz SGUZZHLDNWBEDX-CTNGQTDRSA-N 1 1 394.475 4.173 20 5 GIBDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000055152624 822941452 /nfs/dbraw/zinc/94/14/52/822941452.db2.gz QJQJEQSYGAMALM-QWRGUYRKSA-N 1 1 395.818 4.074 20 5 GIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000569807516 822971718 /nfs/dbraw/zinc/97/17/18/822971718.db2.gz HWYZCHBKDFKQBW-WIYYLYMNSA-N 1 1 397.475 4.082 20 5 GIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000569807516 822971720 /nfs/dbraw/zinc/97/17/20/822971720.db2.gz HWYZCHBKDFKQBW-WIYYLYMNSA-N 1 1 397.475 4.082 20 5 GIBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000570150971 823010664 /nfs/dbraw/zinc/01/06/64/823010664.db2.gz PKRAPHOPMHUTGA-DOVSJBTNSA-N 1 1 399.491 4.401 20 5 GIBDMO O=C(CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411379166 823567627 /nfs/dbraw/zinc/56/76/27/823567627.db2.gz DMLFNZPZRZFDRD-GOSISDBHSA-N 1 1 394.431 4.292 20 5 GIBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1[N+](=O)[O-] ZINC000124161059 823573352 /nfs/dbraw/zinc/57/33/52/823573352.db2.gz IJYARAJZOQOGIC-GOSISDBHSA-N 1 1 397.523 4.416 20 5 GIBDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000412042652 823624032 /nfs/dbraw/zinc/62/40/32/823624032.db2.gz OGBAYKZBPXAFES-ZDUSSCGKSA-N 1 1 391.855 4.024 20 5 GIBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000412042652 823624034 /nfs/dbraw/zinc/62/40/34/823624034.db2.gz OGBAYKZBPXAFES-ZDUSSCGKSA-N 1 1 391.855 4.024 20 5 GIBDMO Cn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191660836 823726203 /nfs/dbraw/zinc/72/62/03/823726203.db2.gz KPOPDFGBDMXPTF-MRXNPFEDSA-N 1 1 396.413 4.406 20 5 GIBDMO Cn1ccnc1[C@H]([NH2+]CC1(Cc2ccccc2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000574539924 823759493 /nfs/dbraw/zinc/75/94/93/823759493.db2.gz MSLVJYILVYIJGI-OAQYLSRUSA-N 1 1 390.487 4.420 20 5 GIBDMO Cc1cc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461973790 823778158 /nfs/dbraw/zinc/77/81/58/823778158.db2.gz RJYVFIKHGKYZME-CQSZACIVSA-N 1 1 394.397 4.200 20 5 GIBDMO CSCC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000164243988 823789257 /nfs/dbraw/zinc/78/92/57/823789257.db2.gz MTBFDVCTOYPKGE-HOCLYGCPSA-N 1 1 385.493 4.091 20 5 GIBDMO CC[C@@H]([NH2+][C@@H](CCSC)c1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000164271629 823791567 /nfs/dbraw/zinc/79/15/67/823791567.db2.gz UOJBBPUDZDCAQR-SJORKVTESA-N 1 1 385.493 4.173 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000126714484 823933637 /nfs/dbraw/zinc/93/36/37/823933637.db2.gz BZBAOLXITZQRBN-JTQLQIEISA-N 1 1 383.217 4.356 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000170871865 823996201 /nfs/dbraw/zinc/99/62/01/823996201.db2.gz PHKLCESFKBZZFS-UHFFFAOYSA-N 1 1 377.238 4.145 20 5 GIBDMO CC(C)Oc1cc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000414955252 824053838 /nfs/dbraw/zinc/05/38/38/824053838.db2.gz OCPDTFQLIMRGAO-GOSISDBHSA-N 1 1 395.459 4.007 20 5 GIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000071954851 205298621 /nfs/dbraw/zinc/29/86/21/205298621.db2.gz HZBSBVGNMNMHSO-AWEZNQCLSA-N 1 1 385.493 4.148 20 5 GIBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000120816079 823069947 /nfs/dbraw/zinc/06/99/47/823069947.db2.gz PEBDBYSFRSAUGH-YQQQUEKLSA-N 1 1 399.878 4.174 20 5 GIBDMO CC(C)(C)c1cn2c([nH+]1)CC[C@H](N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C2 ZINC000571289588 823160627 /nfs/dbraw/zinc/16/06/27/823160627.db2.gz DVJPDTPMXNLBKS-GUYCJALGSA-N 1 1 396.413 4.297 20 5 GIBDMO CC(C)(C)c1cn2c([nH+]1)CC[C@H](N[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C2 ZINC000571289590 823160655 /nfs/dbraw/zinc/16/06/55/823160655.db2.gz DVJPDTPMXNLBKS-SUMWQHHRSA-N 1 1 396.413 4.297 20 5 GIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000121321901 823163113 /nfs/dbraw/zinc/16/31/13/823163113.db2.gz KNVGGSOQSHXMFR-OAHLLOKOSA-N 1 1 385.439 4.038 20 5 GIBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000121354109 823169226 /nfs/dbraw/zinc/16/92/26/823169226.db2.gz QHMYVUWRHDTPHF-WBVHZDCISA-N 1 1 394.258 4.077 20 5 GIBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000121354109 823169231 /nfs/dbraw/zinc/16/92/31/823169231.db2.gz QHMYVUWRHDTPHF-WBVHZDCISA-N 1 1 394.258 4.077 20 5 GIBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459680158 823249356 /nfs/dbraw/zinc/24/93/56/823249356.db2.gz UYZVMRIAVLGKQQ-RBUKOAKNSA-N 1 1 378.432 4.413 20 5 GIBDMO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000006649457 817714947 /nfs/dbraw/zinc/71/49/47/817714947.db2.gz JAMCUYNCUFRWCW-ZDUSSCGKSA-N 1 1 391.855 4.106 20 5 GIBDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000006649457 817714951 /nfs/dbraw/zinc/71/49/51/817714951.db2.gz JAMCUYNCUFRWCW-ZDUSSCGKSA-N 1 1 391.855 4.106 20 5 GIBDMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000122767398 823408602 /nfs/dbraw/zinc/40/86/02/823408602.db2.gz PIEYAVLBAWKXSK-NSHDSACASA-N 1 1 395.253 4.225 20 5 GIBDMO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000573132814 823451894 /nfs/dbraw/zinc/45/18/94/823451894.db2.gz HEGUVJBZPGJEDI-UHFFFAOYSA-N 1 1 381.263 4.373 20 5 GIBDMO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000026924323 820165180 /nfs/dbraw/zinc/16/51/80/820165180.db2.gz PTRBGAATAZWVFR-UHFFFAOYSA-N 1 1 382.247 4.362 20 5 GIBDMO C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000026924323 820165183 /nfs/dbraw/zinc/16/51/83/820165183.db2.gz PTRBGAATAZWVFR-UHFFFAOYSA-N 1 1 382.247 4.362 20 5 GIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000410342765 823468005 /nfs/dbraw/zinc/46/80/05/823468005.db2.gz BGSXHLCRKAZBMT-INIZCTEOSA-N 1 1 382.464 4.291 20 5 GIBDMO Cc1sc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000058949477 823474287 /nfs/dbraw/zinc/47/42/87/823474287.db2.gz IDBFASVOFRQWHL-CQSZACIVSA-N 1 1 387.505 4.127 20 5 GIBDMO CC[C@](C)(O)C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000189739079 823485161 /nfs/dbraw/zinc/48/51/61/823485161.db2.gz HHTFRWVADJVZEC-QFIPXVFZSA-N 1 1 395.459 4.413 20 5 GIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000410875942 823520166 /nfs/dbraw/zinc/52/01/66/823520166.db2.gz DTSOISYEEUFZOS-ZIAGYGMSSA-N 1 1 387.402 4.005 20 5 GIBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1C(F)(F)F ZINC000043644347 821435151 /nfs/dbraw/zinc/43/51/51/821435151.db2.gz MDJPCQMBUAGMIF-UHFFFAOYSA-N 1 1 381.354 4.074 20 5 GIBDMO CC[C@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000182508752 822274576 /nfs/dbraw/zinc/27/45/76/822274576.db2.gz ROSYYUWCOPJJLC-LBPRGKRZSA-N 1 1 385.367 4.051 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000182649109 822338763 /nfs/dbraw/zinc/33/87/63/822338763.db2.gz JTUCNQNBLSXVDH-SJORKVTESA-N 1 1 383.496 4.162 20 5 GIBDMO CC[C@H]([NH2+][C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000178676368 822401963 /nfs/dbraw/zinc/40/19/63/822401963.db2.gz GSOFDUKAPILDBP-NHYWBVRUSA-N 1 1 386.477 4.312 20 5 GIBDMO COc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OCc1cccnc1 ZINC000179316258 822465056 /nfs/dbraw/zinc/46/50/56/822465056.db2.gz FCSJVDJEPUQZRN-UHFFFAOYSA-N 1 1 393.443 4.209 20 5 GIBDMO COc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OCc1cccnc1 ZINC000179316258 822465059 /nfs/dbraw/zinc/46/50/59/822465059.db2.gz FCSJVDJEPUQZRN-UHFFFAOYSA-N 1 1 393.443 4.209 20 5 GIBDMO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000183675094 822509666 /nfs/dbraw/zinc/50/96/66/822509666.db2.gz IQZRKPMYDJOSBT-CYBMUJFWSA-N 1 1 377.404 4.081 20 5 GIBDMO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(SC)cc1OC ZINC000183803519 822529932 /nfs/dbraw/zinc/52/99/32/822529932.db2.gz UUUOBINTVCVVET-UHFFFAOYSA-N 1 1 382.869 4.277 20 5 GIBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000047187866 822552551 /nfs/dbraw/zinc/55/25/51/822552551.db2.gz DAWFEBQNLOVEGL-AWEZNQCLSA-N 1 1 375.494 4.051 20 5 GIBDMO Cc1ccc([C@@H](C)NCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000180276293 822652887 /nfs/dbraw/zinc/65/28/87/822652887.db2.gz ZHUBWTASPHVIFT-GOSISDBHSA-N 1 1 396.535 4.284 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000184626805 822667808 /nfs/dbraw/zinc/66/78/08/822667808.db2.gz HBXIEMGFTICFEA-UONOGXRCSA-N 1 1 396.422 4.209 20 5 GIBDMO Cc1c(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000174476231 822794968 /nfs/dbraw/zinc/79/49/68/822794968.db2.gz BPJBUGIKFJPVIR-MRXNPFEDSA-N 1 1 382.464 4.032 20 5 GIBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000174853368 822846650 /nfs/dbraw/zinc/84/66/50/822846650.db2.gz RXFBDBQVLCLHMB-LJQANCHMSA-N 1 1 378.831 4.333 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)o2)cc1 ZINC000186443536 822896512 /nfs/dbraw/zinc/89/65/12/822896512.db2.gz NOJUUNHZBWADOB-JOCHJYFZSA-N 1 1 376.412 4.486 20 5 GIBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+](CCc3ccccc3)C1)CCC2 ZINC000569588433 822942774 /nfs/dbraw/zinc/94/27/74/822942774.db2.gz YPQTUBMXIRIEQC-XXBNENTESA-N 1 1 379.504 4.126 20 5 GIBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+](CCc3ccccc3)C1)CCC2 ZINC000569588433 822942777 /nfs/dbraw/zinc/94/27/77/822942777.db2.gz YPQTUBMXIRIEQC-XXBNENTESA-N 1 1 379.504 4.126 20 5 GIBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000186735745 822947388 /nfs/dbraw/zinc/94/73/88/822947388.db2.gz MWYLKWVCIWUQIV-NVXWUHKLSA-N 1 1 399.516 4.100 20 5 GIBDMO C[N@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)CC1CC(O)C1 ZINC000191156121 823654563 /nfs/dbraw/zinc/65/45/63/823654563.db2.gz PXRYCHVHXMEUJS-UHFFFAOYSA-N 1 1 376.840 4.243 20 5 GIBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(Cl)s1 ZINC000063482777 823675329 /nfs/dbraw/zinc/67/53/29/823675329.db2.gz CJYKWJQHICLZEC-UHFFFAOYSA-N 1 1 381.885 4.469 20 5 GIBDMO CC(=O)c1ccc(NC(=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000063560012 823679390 /nfs/dbraw/zinc/67/93/90/823679390.db2.gz DVIUJELNVCXKPW-UHFFFAOYSA-N 1 1 383.448 4.037 20 5 GIBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000063723707 823691690 /nfs/dbraw/zinc/69/16/90/823691690.db2.gz XJRTUBTVJZEERX-UHFFFAOYSA-N 1 1 396.491 4.285 20 5 GIBDMO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000191661594 823726398 /nfs/dbraw/zinc/72/63/98/823726398.db2.gz QNIZIHMOKHXRDT-HNNXBMFYSA-N 1 1 376.375 4.022 20 5 GIBDMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000191661594 823726401 /nfs/dbraw/zinc/72/64/01/823726401.db2.gz QNIZIHMOKHXRDT-HNNXBMFYSA-N 1 1 376.375 4.022 20 5 GIBDMO C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000413216319 823729859 /nfs/dbraw/zinc/72/98/59/823729859.db2.gz RCXJKLOZKWHQTN-BDJLRTHQSA-N 1 1 382.798 4.026 20 5 GIBDMO C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000413216319 823729867 /nfs/dbraw/zinc/72/98/67/823729867.db2.gz RCXJKLOZKWHQTN-BDJLRTHQSA-N 1 1 382.798 4.026 20 5 GIBDMO CSCC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1nnc2ccccn21 ZINC000164260102 823791015 /nfs/dbraw/zinc/79/10/15/823791015.db2.gz KHJOCHYZVSDRET-GDBMZVCRSA-N 1 1 385.493 4.091 20 5 GIBDMO CC(C)[N@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350319 823798483 /nfs/dbraw/zinc/79/84/83/823798483.db2.gz MKYVFGHTQOHQSS-JOCHJYFZSA-N 1 1 395.503 4.341 20 5 GIBDMO CC(C)[N@@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350319 823798490 /nfs/dbraw/zinc/79/84/90/823798490.db2.gz MKYVFGHTQOHQSS-JOCHJYFZSA-N 1 1 395.503 4.341 20 5 GIBDMO COc1ccc([C@@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1OC ZINC000574779787 823824756 /nfs/dbraw/zinc/82/47/56/823824756.db2.gz RFDOPTRBZXAYPU-CQSZACIVSA-N 1 1 397.431 4.426 20 5 GIBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000575026911 823892563 /nfs/dbraw/zinc/89/25/63/823892563.db2.gz GTLNRLIJJREBDE-SFHVURJKSA-N 1 1 391.475 4.086 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000575221320 823944305 /nfs/dbraw/zinc/94/43/05/823944305.db2.gz PCNWJNPACLLVRS-LJQANCHMSA-N 1 1 396.491 4.327 20 5 GIBDMO Cc1cc(Cl)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164621929 719069821 /nfs/dbraw/zinc/06/98/21/719069821.db2.gz IIZWIDRMMUQNQC-DLBZAZTESA-N 1 1 386.883 4.052 20 5 GIBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC001164635684 719199076 /nfs/dbraw/zinc/19/90/76/719199076.db2.gz LGSFFJSQGVOCPF-RYUDHWBXSA-N 1 1 394.834 4.103 20 5 GIBDMO C[C@@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000187419467 823060234 /nfs/dbraw/zinc/06/02/34/823060234.db2.gz PAFBJLMICOYGJY-SNVBAGLBSA-N 1 1 375.226 4.084 20 5 GIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000121190978 823135640 /nfs/dbraw/zinc/13/56/40/823135640.db2.gz LUUJXESRQJYYMI-HKUYNNGSSA-N 1 1 397.500 4.073 20 5 GIBDMO CSc1cccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000188161729 823196444 /nfs/dbraw/zinc/19/64/44/823196444.db2.gz ZLBKSEHXUPHKOG-CVEARBPZSA-N 1 1 391.537 4.043 20 5 GIBDMO CSc1cccc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000188180541 823199104 /nfs/dbraw/zinc/19/91/04/823199104.db2.gz XWCLMMYJFLZGFG-INIZCTEOSA-N 1 1 399.516 4.053 20 5 GIBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000056908148 823231178 /nfs/dbraw/zinc/23/11/78/823231178.db2.gz QXKNWLVRZDOWOG-UHFFFAOYSA-N 1 1 382.395 4.354 20 5 GIBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459752656 823260722 /nfs/dbraw/zinc/26/07/22/823260722.db2.gz BXUWPNXEGAOFJH-OAHLLOKOSA-N 1 1 383.423 4.494 20 5 GIBDMO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000057406370 823292089 /nfs/dbraw/zinc/29/20/89/823292089.db2.gz RXYXNDOSSNGDTK-MRXNPFEDSA-N 1 1 375.428 4.301 20 5 GIBDMO CCOc1ccc(C[N@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000007592638 817875357 /nfs/dbraw/zinc/87/53/57/817875357.db2.gz SKHVKVOXFDXXHI-AWEZNQCLSA-N 1 1 382.420 4.237 20 5 GIBDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000007592638 817875365 /nfs/dbraw/zinc/87/53/65/817875365.db2.gz SKHVKVOXFDXXHI-AWEZNQCLSA-N 1 1 382.420 4.237 20 5 GIBDMO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000007926764 817961192 /nfs/dbraw/zinc/96/11/92/817961192.db2.gz WNDWOTSKVOOTJU-OAHLLOKOSA-N 1 1 393.443 4.216 20 5 GIBDMO COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000007926764 817961197 /nfs/dbraw/zinc/96/11/97/817961197.db2.gz WNDWOTSKVOOTJU-OAHLLOKOSA-N 1 1 393.443 4.216 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008127577 818004879 /nfs/dbraw/zinc/00/48/79/818004879.db2.gz BGTOWOQPMKTRHK-HNNXBMFYSA-N 1 1 393.443 4.216 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000008127577 818004885 /nfs/dbraw/zinc/00/48/85/818004885.db2.gz BGTOWOQPMKTRHK-HNNXBMFYSA-N 1 1 393.443 4.216 20 5 GIBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000008248966 818022691 /nfs/dbraw/zinc/02/26/91/818022691.db2.gz YVZHYIOYHXCQQB-SECBINFHSA-N 1 1 386.210 4.330 20 5 GIBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000014932754 818277891 /nfs/dbraw/zinc/27/78/91/818277891.db2.gz TWVBCUYPSCCHRN-OAHLLOKOSA-N 1 1 393.443 4.216 20 5 GIBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000014932754 818277898 /nfs/dbraw/zinc/27/78/98/818277898.db2.gz TWVBCUYPSCCHRN-OAHLLOKOSA-N 1 1 393.443 4.216 20 5 GIBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000177065746 823363060 /nfs/dbraw/zinc/36/30/60/823363060.db2.gz GKHZUYQPVVBTHM-MLGOLLRUSA-N 1 1 393.896 4.123 20 5 GIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000058764841 823446898 /nfs/dbraw/zinc/44/68/98/823446898.db2.gz BPGXHKFFISWCGC-NSHDSACASA-N 1 1 382.247 4.499 20 5 GIBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000026225779 820071865 /nfs/dbraw/zinc/07/18/65/820071865.db2.gz PXWFZPXBYMSBDQ-UHFFFAOYSA-N 1 1 395.381 4.383 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000026924725 820165118 /nfs/dbraw/zinc/16/51/18/820165118.db2.gz GKKUVMMQWADFRI-LJQANCHMSA-N 1 1 383.448 4.078 20 5 GIBDMO COc1ccc(Cl)cc1C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000027739541 820281275 /nfs/dbraw/zinc/28/12/75/820281275.db2.gz VTCGVHWBYLROQJ-UHFFFAOYSA-N 1 1 391.855 4.026 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000410351881 823470723 /nfs/dbraw/zinc/47/07/23/823470723.db2.gz GIKKDFIVBJRYGK-INIZCTEOSA-N 1 1 396.491 4.457 20 5 GIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000573371743 823485757 /nfs/dbraw/zinc/48/57/57/823485757.db2.gz GNMPPMCSQXKLAQ-OXJNMPFZSA-N 1 1 396.491 4.189 20 5 GIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000573371742 823485762 /nfs/dbraw/zinc/48/57/62/823485762.db2.gz GNMPPMCSQXKLAQ-JXFKEZNVSA-N 1 1 396.491 4.189 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000029936330 820550646 /nfs/dbraw/zinc/55/06/46/820550646.db2.gz UNEWPVPXSCALBV-FQEVSTJZSA-N 1 1 399.447 4.422 20 5 GIBDMO Cc1nc([C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000189921419 823514106 /nfs/dbraw/zinc/51/41/06/823514106.db2.gz YDZNYXZKDVOVHF-GOSISDBHSA-N 1 1 383.477 4.097 20 5 GIBDMO Cc1nc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000189921419 823514107 /nfs/dbraw/zinc/51/41/07/823514107.db2.gz YDZNYXZKDVOVHF-GOSISDBHSA-N 1 1 383.477 4.097 20 5 GIBDMO CCOc1cccc([C@@H](C)[NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000180715613 821413565 /nfs/dbraw/zinc/41/35/65/821413565.db2.gz RUYVRCGORGIGOH-GFCCVEGCSA-N 1 1 396.390 4.454 20 5 GIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181418621 821816440 /nfs/dbraw/zinc/81/64/40/821816440.db2.gz PDRNJUBUOPUXOY-MRXNPFEDSA-N 1 1 397.475 4.360 20 5 GIBDMO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(N2CCCC2)c1 ZINC000181859639 822018947 /nfs/dbraw/zinc/01/89/47/822018947.db2.gz AOJCAVTUURRKOG-HNNXBMFYSA-N 1 1 393.447 4.096 20 5 GIBDMO COc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cc1Br ZINC000182072330 822082062 /nfs/dbraw/zinc/08/20/62/822082062.db2.gz IZJFVQBZNMJOTN-SNVBAGLBSA-N 1 1 383.217 4.356 20 5 GIBDMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000182092153 822090338 /nfs/dbraw/zinc/09/03/38/822090338.db2.gz LZVBFYISLCAODQ-MRXNPFEDSA-N 1 1 380.448 4.043 20 5 GIBDMO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000182667055 822344872 /nfs/dbraw/zinc/34/48/72/822344872.db2.gz BPBDDHZYACVDDP-OAHLLOKOSA-N 1 1 395.406 4.225 20 5 GIBDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000182667055 822344882 /nfs/dbraw/zinc/34/48/82/822344882.db2.gz BPBDDHZYACVDDP-OAHLLOKOSA-N 1 1 395.406 4.225 20 5 GIBDMO Cc1sc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1[N+](=O)[O-] ZINC000045143538 822365405 /nfs/dbraw/zinc/36/54/05/822365405.db2.gz ATHYOUFHAQFUFR-UHFFFAOYSA-N 1 1 380.495 4.050 20 5 GIBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000178867870 822417639 /nfs/dbraw/zinc/41/76/39/822417639.db2.gz KOLVUXILJAHMPM-NRFANRHFSA-N 1 1 381.407 4.038 20 5 GIBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183169427 822434792 /nfs/dbraw/zinc/43/47/92/822434792.db2.gz WTZWHYKGBLRXKS-UHFFFAOYSA-N 1 1 398.385 4.046 20 5 GIBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000179315746 822465147 /nfs/dbraw/zinc/46/51/47/822465147.db2.gz KEUKKHROYHTWKM-UHFFFAOYSA-N 1 1 399.454 4.475 20 5 GIBDMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000179315746 822465148 /nfs/dbraw/zinc/46/51/48/822465148.db2.gz KEUKKHROYHTWKM-UHFFFAOYSA-N 1 1 399.454 4.475 20 5 GIBDMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000183767968 822525459 /nfs/dbraw/zinc/52/54/59/822525459.db2.gz DPHPQOLJCIKYAU-JTQLQIEISA-N 1 1 398.246 4.200 20 5 GIBDMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000183767983 822525723 /nfs/dbraw/zinc/52/57/23/822525723.db2.gz DPHPQOLJCIKYAU-SNVBAGLBSA-N 1 1 398.246 4.200 20 5 GIBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000183789968 822528475 /nfs/dbraw/zinc/52/84/75/822528475.db2.gz NKQGJUNKQZAYID-MNOVXSKESA-N 1 1 395.818 4.074 20 5 GIBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(C(F)(F)F)c1 ZINC000179692908 822528623 /nfs/dbraw/zinc/52/86/23/822528623.db2.gz MVGKJNYZWOVWQK-NSHDSACASA-N 1 1 382.338 4.331 20 5 GIBDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1cc(F)ccc1F ZINC000179792382 822553823 /nfs/dbraw/zinc/55/38/23/822553823.db2.gz CFJRYGYMLFIQFS-LRDDRELGSA-N 1 1 377.391 4.249 20 5 GIBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)c2ccccc2)c1 ZINC000179988155 822591548 /nfs/dbraw/zinc/59/15/48/822591548.db2.gz XZEIKWXUTMYJMK-QFIPXVFZSA-N 1 1 376.412 4.245 20 5 GIBDMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O ZINC000180012263 822596363 /nfs/dbraw/zinc/59/63/63/822596363.db2.gz RZQCVDZUENYVRD-APPDUMDISA-N 1 1 389.839 4.209 20 5 GIBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1OCC ZINC000184297778 822610612 /nfs/dbraw/zinc/61/06/12/822610612.db2.gz FJVBOHTYHPKTEJ-ZDUSSCGKSA-N 1 1 392.427 4.391 20 5 GIBDMO CC(C)(O)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000180237057 822645627 /nfs/dbraw/zinc/64/56/27/822645627.db2.gz ITFNDUQHBLCKTD-UHFFFAOYSA-N 1 1 395.459 4.065 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000184626837 822667762 /nfs/dbraw/zinc/66/77/62/822667762.db2.gz HBXIEMGFTICFEA-ZIAGYGMSSA-N 1 1 396.422 4.209 20 5 GIBDMO COC(=O)c1cccc(-c2nc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000180437801 822681899 /nfs/dbraw/zinc/68/18/99/822681899.db2.gz MSSMTJHADCXFLN-ZDUSSCGKSA-N 1 1 397.456 4.356 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)o2)c(Cl)c1 ZINC000180451973 822684870 /nfs/dbraw/zinc/68/48/70/822684870.db2.gz BRMGVUSDPMTTBS-FUHWJXTLSA-N 1 1 394.880 4.215 20 5 GIBDMO Cc1c(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000174474813 822794802 /nfs/dbraw/zinc/79/48/02/822794802.db2.gz SEOKTHZOCWOTCX-KDOFPFPSSA-N 1 1 388.493 4.169 20 5 GIBDMO CC(C)CCSc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000456308048 822796747 /nfs/dbraw/zinc/79/67/47/822796747.db2.gz FZBNMBDOAGGUTN-ALOPSCKCSA-N 1 1 391.537 4.088 20 5 GIBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC000174516787 822799947 /nfs/dbraw/zinc/79/99/47/822799947.db2.gz UAYFANTWPCIVIH-INIZCTEOSA-N 1 1 393.553 4.147 20 5 GIBDMO COc1cccc(-c2noc([C@@H](C)[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])n2)c1 ZINC000174657560 822819413 /nfs/dbraw/zinc/81/94/13/822819413.db2.gz LPORMSXAJAAXBL-VIIAAUOXSA-N 1 1 380.404 4.017 20 5 GIBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000175216969 822906962 /nfs/dbraw/zinc/90/69/62/822906962.db2.gz XXAAQRFBDDSZDY-OAQYLSRUSA-N 1 1 388.439 4.078 20 5 GIBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000569614363 822944933 /nfs/dbraw/zinc/94/49/33/822944933.db2.gz JKXJFBXUJBJZKX-SJORKVTESA-N 1 1 393.438 4.034 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000186780542 822954399 /nfs/dbraw/zinc/95/43/99/822954399.db2.gz LMAXJBWRTUMILW-JTQLQIEISA-N 1 1 398.246 4.200 20 5 GIBDMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000061030105 823574232 /nfs/dbraw/zinc/57/42/32/823574232.db2.gz PIEYAVLBAWKXSK-LLVKDONJSA-N 1 1 395.253 4.225 20 5 GIBDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190490987 823580637 /nfs/dbraw/zinc/58/06/37/823580637.db2.gz YHWLSJYDFJHUEY-OAHLLOKOSA-N 1 1 380.448 4.234 20 5 GIBDMO O=C(CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000411791912 823605201 /nfs/dbraw/zinc/60/52/01/823605201.db2.gz MGJPDMKVDCIWJZ-LJQANCHMSA-N 1 1 393.447 4.027 20 5 GIBDMO O=C(CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000411791912 823605203 /nfs/dbraw/zinc/60/52/03/823605203.db2.gz MGJPDMKVDCIWJZ-LJQANCHMSA-N 1 1 393.447 4.027 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@@H](c4ccccc4)C4(CCC4)C3)o2)cc1 ZINC000411992155 823618841 /nfs/dbraw/zinc/61/88/41/823618841.db2.gz VAJNKWLJSLXNQQ-IBGZPJMESA-N 1 1 390.443 4.415 20 5 GIBDMO Cn1cc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191660816 823726433 /nfs/dbraw/zinc/72/64/33/823726433.db2.gz KPOPDFGBDMXPTF-INIZCTEOSA-N 1 1 396.413 4.406 20 5 GIBDMO CC(C)[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350126 823798533 /nfs/dbraw/zinc/79/85/33/823798533.db2.gz ZUOLNQPDAILVRC-UHFFFAOYSA-N 1 1 375.856 4.487 20 5 GIBDMO CC(C)[N@H+](CC(=O)NC1(c2ccccc2)CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350746 823799019 /nfs/dbraw/zinc/79/90/19/823799019.db2.gz UAFSVQTXQAHPER-UHFFFAOYSA-N 1 1 381.476 4.001 20 5 GIBDMO CC(C)[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350746 823799024 /nfs/dbraw/zinc/79/90/24/823799024.db2.gz UAFSVQTXQAHPER-UHFFFAOYSA-N 1 1 381.476 4.001 20 5 GIBDMO Cc1ccc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(C)C)s1 ZINC000065162208 823954890 /nfs/dbraw/zinc/95/48/90/823954890.db2.gz HXBAWZGBXITWHY-UHFFFAOYSA-N 1 1 381.885 4.467 20 5 GIBDMO Cc1ccc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(C)C)s1 ZINC000065162208 823954896 /nfs/dbraw/zinc/95/48/96/823954896.db2.gz HXBAWZGBXITWHY-UHFFFAOYSA-N 1 1 381.885 4.467 20 5 GIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCO[C@H](CF)C2)ccc1Oc1ccc(F)cc1 ZINC000414478272 823992187 /nfs/dbraw/zinc/99/21/87/823992187.db2.gz OLBLLFSBBBTNNV-QGZVFWFLSA-N 1 1 378.375 4.087 20 5 GIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCO[C@H](CF)C2)ccc1Oc1ccc(F)cc1 ZINC000414478272 823992190 /nfs/dbraw/zinc/99/21/90/823992190.db2.gz OLBLLFSBBBTNNV-QGZVFWFLSA-N 1 1 378.375 4.087 20 5 GIBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2ncccc12 ZINC000024058284 203784128 /nfs/dbraw/zinc/78/41/28/203784128.db2.gz PRBVPYKPGNSZRS-UHFFFAOYSA-N 1 1 382.851 4.119 20 5 GIBDMO Cc1cc([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164622875 719070681 /nfs/dbraw/zinc/07/06/81/719070681.db2.gz JDWKIGXUGBBZGP-WMZOPIPTSA-N 1 1 386.883 4.052 20 5 GIBDMO NC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000055870475 823057439 /nfs/dbraw/zinc/05/74/39/823057439.db2.gz AHAGDWLIEXMLPY-FQEVSTJZSA-N 1 1 395.846 4.226 20 5 GIBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000120854888 823077317 /nfs/dbraw/zinc/07/73/17/823077317.db2.gz BSEHOFGXWVDEPD-MRXNPFEDSA-N 1 1 382.395 4.164 20 5 GIBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000120859298 823078463 /nfs/dbraw/zinc/07/84/63/823078463.db2.gz CVMZJBRBXNZUQR-MRXNPFEDSA-N 1 1 382.395 4.164 20 5 GIBDMO CC(C)c1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000187521093 823080352 /nfs/dbraw/zinc/08/03/52/823080352.db2.gz AILOVFQDFLTJRY-OAQYLSRUSA-N 1 1 382.439 4.470 20 5 GIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCCOC(C)C)c([N+](=O)[O-])c1 ZINC000570889970 823103162 /nfs/dbraw/zinc/10/31/62/823103162.db2.gz AKDUHQJCYJQSPB-NRFANRHFSA-N 1 1 399.491 4.330 20 5 GIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCCOC(C)C)c([N+](=O)[O-])c1 ZINC000570889970 823103164 /nfs/dbraw/zinc/10/31/64/823103164.db2.gz AKDUHQJCYJQSPB-NRFANRHFSA-N 1 1 399.491 4.330 20 5 GIBDMO CC(C)c1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000121236419 823144654 /nfs/dbraw/zinc/14/46/54/823144654.db2.gz CEWNVSJBMHDLNM-UHFFFAOYSA-N 1 1 381.476 4.066 20 5 GIBDMO CC(C)c1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000121236419 823144657 /nfs/dbraw/zinc/14/46/57/823144657.db2.gz CEWNVSJBMHDLNM-UHFFFAOYSA-N 1 1 381.476 4.066 20 5 GIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cncc(F)c2)cc1OC ZINC000459623999 823231723 /nfs/dbraw/zinc/23/17/23/823231723.db2.gz SAWVDWJGYMZIGN-KGLIPLIRSA-N 1 1 391.443 4.413 20 5 GIBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176579998 823241165 /nfs/dbraw/zinc/24/11/65/823241165.db2.gz OMQHWHXJNMWGFB-GOEBONIOSA-N 1 1 387.867 4.031 20 5 GIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409653163 823274590 /nfs/dbraw/zinc/27/45/90/823274590.db2.gz SDTPEAZCVFQISO-INIZCTEOSA-N 1 1 377.448 4.060 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000057449361 823298705 /nfs/dbraw/zinc/29/87/05/823298705.db2.gz OBTNBZSNDSEGLQ-UHFFFAOYSA-N 1 1 375.428 4.221 20 5 GIBDMO COc1ccc(C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C2CC2)cc1 ZINC000057601215 823313652 /nfs/dbraw/zinc/31/36/52/823313652.db2.gz DCKBIAWMJWAXDF-INIZCTEOSA-N 1 1 397.475 4.151 20 5 GIBDMO Cc1nc(C(C)(C)[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)sc1C ZINC000124734193 823621762 /nfs/dbraw/zinc/62/17/62/823621762.db2.gz GGQWMXHNVUVTII-UHFFFAOYSA-N 1 1 384.299 4.456 20 5 GIBDMO CCOc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000409865366 823329788 /nfs/dbraw/zinc/32/97/88/823329788.db2.gz SAMKJYPMXXPKTH-IBGZPJMESA-N 1 1 383.448 4.159 20 5 GIBDMO CC[N@@H+](CCC1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000572795408 823400199 /nfs/dbraw/zinc/40/01/99/823400199.db2.gz HFLQKBXODDCFPT-KRWDZBQOSA-N 1 1 387.524 4.059 20 5 GIBDMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)(C)C)cc1 ZINC000572916903 823419121 /nfs/dbraw/zinc/41/91/21/823419121.db2.gz VIYKHSIZMUGYKD-UHFFFAOYSA-N 1 1 385.464 4.151 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000025507406 819992688 /nfs/dbraw/zinc/99/26/88/819992688.db2.gz WQKRGLGVTZVSAR-KRWDZBQOSA-N 1 1 381.476 4.185 20 5 GIBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(Cl)c1Cl ZINC000026224857 820071385 /nfs/dbraw/zinc/07/13/85/820071385.db2.gz LRXKISUHHCNVQA-UHFFFAOYSA-N 1 1 382.247 4.362 20 5 GIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058835411 823461402 /nfs/dbraw/zinc/46/14/02/823461402.db2.gz RHOYXDSIIDHLDW-NRFANRHFSA-N 1 1 395.503 4.244 20 5 GIBDMO Cc1nc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000189921402 823514058 /nfs/dbraw/zinc/51/40/58/823514058.db2.gz YDZNYXZKDVOVHF-SFHVURJKSA-N 1 1 383.477 4.097 20 5 GIBDMO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000189921402 823514061 /nfs/dbraw/zinc/51/40/61/823514061.db2.gz YDZNYXZKDVOVHF-SFHVURJKSA-N 1 1 383.477 4.097 20 5 GIBDMO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[C@@H]1O ZINC000190051991 823530923 /nfs/dbraw/zinc/53/09/23/823530923.db2.gz YCZUSZSRYBIDCL-UGSOOPFHSA-N 1 1 376.840 4.243 20 5 GIBDMO CC[C@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000181564411 821882752 /nfs/dbraw/zinc/88/27/52/821882752.db2.gz PODZMWPZCXRHNQ-SFHVURJKSA-N 1 1 396.472 4.058 20 5 GIBDMO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000182568069 822306608 /nfs/dbraw/zinc/30/66/08/822306608.db2.gz RCSPPNYITYLSGY-UHFFFAOYSA-N 1 1 381.904 4.109 20 5 GIBDMO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178669807 822401275 /nfs/dbraw/zinc/40/12/75/822401275.db2.gz XZPSPHFZFYQDCZ-FDDCHVKYSA-N 1 1 385.511 4.477 20 5 GIBDMO Cc1ccc([C@@H](C)[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000178683704 822402674 /nfs/dbraw/zinc/40/26/74/822402674.db2.gz VWTOEUMOKZTBSL-UTKZUKDTSA-N 1 1 381.476 4.308 20 5 GIBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2C1 ZINC000183393069 822467881 /nfs/dbraw/zinc/46/78/81/822467881.db2.gz RFWLNFJPQPOIKZ-AWEZNQCLSA-N 1 1 385.439 4.448 20 5 GIBDMO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)n1 ZINC000183553064 822493815 /nfs/dbraw/zinc/49/38/15/822493815.db2.gz GQONVRHGCHRPSF-BMIGLBTASA-N 1 1 394.884 4.081 20 5 GIBDMO C[C@@H]([NH2+]Cc1nnc2ccccn21)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000183795968 822529147 /nfs/dbraw/zinc/52/91/47/822529147.db2.gz ZRUFMUBPDXGJAJ-CYBMUJFWSA-N 1 1 379.445 4.217 20 5 GIBDMO COc1c(Br)cccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183891326 822541653 /nfs/dbraw/zinc/54/16/53/822541653.db2.gz ZWYJHEXUNYEUTK-UHFFFAOYSA-N 1 1 385.645 4.309 20 5 GIBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000180412867 822677447 /nfs/dbraw/zinc/67/74/47/822677447.db2.gz MZBYBBJTCNUFMK-OAHLLOKOSA-N 1 1 377.238 4.361 20 5 GIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000180508093 822693342 /nfs/dbraw/zinc/69/33/42/822693342.db2.gz MDZDWPRTOJMQLU-HIFRSBDPSA-N 1 1 398.431 4.346 20 5 GIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000180508093 822693343 /nfs/dbraw/zinc/69/33/43/822693343.db2.gz MDZDWPRTOJMQLU-HIFRSBDPSA-N 1 1 398.431 4.346 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184896801 822709391 /nfs/dbraw/zinc/70/93/91/822709391.db2.gz KYQREHIIQPLINA-OAHLLOKOSA-N 1 1 394.431 4.238 20 5 GIBDMO Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)s1 ZINC000185371720 822773819 /nfs/dbraw/zinc/77/38/19/822773819.db2.gz IXNSUVGDRYMBOD-ZUZCIYMTSA-N 1 1 394.884 4.081 20 5 GIBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000174406779 822786160 /nfs/dbraw/zinc/78/61/60/822786160.db2.gz SPOGXWPBUSXPAJ-QGZVFWFLSA-N 1 1 376.840 4.096 20 5 GIBDMO COc1ccc(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000174450541 822791367 /nfs/dbraw/zinc/79/13/67/822791367.db2.gz IWYXJDYPSDWIAD-UHFFFAOYSA-N 1 1 395.459 4.118 20 5 GIBDMO CN(C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000174568153 822805931 /nfs/dbraw/zinc/80/59/31/822805931.db2.gz RRGXOVURNGONTB-IBGZPJMESA-N 1 1 395.484 4.020 20 5 GIBDMO C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686610 822810129 /nfs/dbraw/zinc/81/01/29/822810129.db2.gz JIHKDAFXMAGPNO-AEFFLSMTSA-N 1 1 398.507 4.035 20 5 GIBDMO C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686610 822810133 /nfs/dbraw/zinc/81/01/33/822810133.db2.gz JIHKDAFXMAGPNO-AEFFLSMTSA-N 1 1 398.507 4.035 20 5 GIBDMO C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686574 822810183 /nfs/dbraw/zinc/81/01/83/822810183.db2.gz JIHKDAFXMAGPNO-SJLPKXTDSA-N 1 1 398.507 4.035 20 5 GIBDMO C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686574 822810184 /nfs/dbraw/zinc/81/01/84/822810184.db2.gz JIHKDAFXMAGPNO-SJLPKXTDSA-N 1 1 398.507 4.035 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1csc2ccccc12 ZINC000052805475 822811333 /nfs/dbraw/zinc/81/13/33/822811333.db2.gz HEXCTAOXYXMWFK-ZDUSSCGKSA-N 1 1 399.472 4.277 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1csc2ccccc12 ZINC000052805475 822811335 /nfs/dbraw/zinc/81/13/35/822811335.db2.gz HEXCTAOXYXMWFK-ZDUSSCGKSA-N 1 1 399.472 4.277 20 5 GIBDMO CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000174618342 822813238 /nfs/dbraw/zinc/81/32/38/822813238.db2.gz QIXBFWRHIUCVBN-GFCCVEGCSA-N 1 1 396.390 4.494 20 5 GIBDMO CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000174618342 822813242 /nfs/dbraw/zinc/81/32/42/822813242.db2.gz QIXBFWRHIUCVBN-GFCCVEGCSA-N 1 1 396.390 4.494 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccccc1C ZINC000053279538 822828852 /nfs/dbraw/zinc/82/88/52/822828852.db2.gz MKKXHQCFZMYJIG-IBGZPJMESA-N 1 1 383.448 4.078 20 5 GIBDMO CC[N@@H+](CCC1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000569306454 822904834 /nfs/dbraw/zinc/90/48/34/822904834.db2.gz CPBXTOYIPIAXBB-GOSISDBHSA-N 1 1 389.540 4.305 20 5 GIBDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000055152647 822941445 /nfs/dbraw/zinc/94/14/45/822941445.db2.gz GFNCPLTXZPOFQP-GHMZBOCLSA-N 1 1 395.818 4.074 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000175796339 823042390 /nfs/dbraw/zinc/04/23/90/823042390.db2.gz PWBVUVITMDLIET-GFCCVEGCSA-N 1 1 384.823 4.233 20 5 GIBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000461036108 823563025 /nfs/dbraw/zinc/56/30/25/823563025.db2.gz CHEXJYKLBDJIMB-OAHLLOKOSA-N 1 1 387.505 4.205 20 5 GIBDMO C[NH+](C)C(C)(C)CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000061015286 823573100 /nfs/dbraw/zinc/57/31/00/823573100.db2.gz TYPRSDKUZRXVRH-UHFFFAOYSA-N 1 1 377.872 4.470 20 5 GIBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000461259354 823606760 /nfs/dbraw/zinc/60/67/60/823606760.db2.gz BTMGCRZMQIMKOG-IBGZPJMESA-N 1 1 396.491 4.285 20 5 GIBDMO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000124858497 823631686 /nfs/dbraw/zinc/63/16/86/823631686.db2.gz ZMMADBBFDJMPBY-KBPBESRZSA-N 1 1 382.420 4.455 20 5 GIBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(Cl)s1 ZINC000063482779 823675373 /nfs/dbraw/zinc/67/53/73/823675373.db2.gz VSIIJTABACVACA-UHFFFAOYSA-N 1 1 381.885 4.469 20 5 GIBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(OC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000125490068 823680449 /nfs/dbraw/zinc/68/04/49/823680449.db2.gz VEPANZFOVFLPRH-INIZCTEOSA-N 1 1 389.496 4.044 20 5 GIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191397974 823680584 /nfs/dbraw/zinc/68/05/84/823680584.db2.gz RENLFRCEMSARSJ-IBGZPJMESA-N 1 1 396.491 4.197 20 5 GIBDMO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125939208 823749167 /nfs/dbraw/zinc/74/91/67/823749167.db2.gz YGFZOZNNGQWXTH-DJJJIMSYSA-N 1 1 381.457 4.201 20 5 GIBDMO COc1ccc(NC(=O)CC[N@H+]2CC(C)(C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000574542741 823760070 /nfs/dbraw/zinc/76/00/70/823760070.db2.gz HWICNSBACZPCTE-GOSISDBHSA-N 1 1 389.477 4.077 20 5 GIBDMO Cc1cc(N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461940567 823766579 /nfs/dbraw/zinc/76/65/79/823766579.db2.gz KVHXFGSJAFXSPW-CYBMUJFWSA-N 1 1 394.397 4.449 20 5 GIBDMO CSCC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000164244111 823789241 /nfs/dbraw/zinc/78/92/41/823789241.db2.gz MTBFDVCTOYPKGE-GDBMZVCRSA-N 1 1 385.493 4.091 20 5 GIBDMO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350758 823799192 /nfs/dbraw/zinc/79/91/92/823799192.db2.gz COGANVYJPNCRBF-QGZVFWFLSA-N 1 1 399.491 4.033 20 5 GIBDMO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350758 823799197 /nfs/dbraw/zinc/79/91/97/823799197.db2.gz COGANVYJPNCRBF-QGZVFWFLSA-N 1 1 399.491 4.033 20 5 GIBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)nc2c1 ZINC000192096567 823859058 /nfs/dbraw/zinc/85/90/58/823859058.db2.gz DNCUGOBFHCJDIP-KSSFIOAISA-N 1 1 391.786 4.148 20 5 GIBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)nc2c1 ZINC000192096557 823859089 /nfs/dbraw/zinc/85/90/89/823859089.db2.gz DNCUGOBFHCJDIP-KDOFPFPSSA-N 1 1 391.786 4.148 20 5 GIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000192483818 824008290 /nfs/dbraw/zinc/00/82/90/824008290.db2.gz GIQOJSRJHDGDOZ-KRWDZBQOSA-N 1 1 381.476 4.208 20 5 GIBDMO C[C@@H]1C[C@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[NH2+]1 ZINC000414943916 824052796 /nfs/dbraw/zinc/05/27/96/824052796.db2.gz FXASKVMNPBCQKZ-CZUORRHYSA-N 1 1 375.856 4.271 20 5 GIBDMO O=[N+]([O-])c1ccc2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2c1 ZINC001164623628 719070907 /nfs/dbraw/zinc/07/09/07/719070907.db2.gz KASLHRQILKXKKK-KNQAVFIVSA-N 1 1 388.471 4.244 20 5 GIBDMO O=[N+]([O-])c1cccc2nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc21 ZINC001164619858 719075990 /nfs/dbraw/zinc/07/59/90/719075990.db2.gz CSJKCHITXURAFO-AVRDEDQJSA-N 1 1 388.471 4.244 20 5 GIBDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000121214867 823140008 /nfs/dbraw/zinc/14/00/08/823140008.db2.gz AUZFBEVQUILXBY-OXQOHEQNSA-N 1 1 382.464 4.112 20 5 GIBDMO COCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1ccccn1 ZINC000571208650 823148677 /nfs/dbraw/zinc/14/86/77/823148677.db2.gz YATGCUDTINMGQA-UHFFFAOYSA-N 1 1 383.473 4.367 20 5 GIBDMO COCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1ccccn1 ZINC000571208650 823148683 /nfs/dbraw/zinc/14/86/83/823148683.db2.gz YATGCUDTINMGQA-UHFFFAOYSA-N 1 1 383.473 4.367 20 5 GIBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c(F)c1 ZINC000459550372 823218259 /nfs/dbraw/zinc/21/82/59/823218259.db2.gz XSOIXHNKCIRILI-IBGZPJMESA-N 1 1 376.403 4.257 20 5 GIBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176581761 823241414 /nfs/dbraw/zinc/24/14/14/823241414.db2.gz XDOGIDSIOUJAGA-YOEHRIQHSA-N 1 1 387.867 4.031 20 5 GIBDMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2c1 ZINC000007926680 817961019 /nfs/dbraw/zinc/96/10/19/817961019.db2.gz VXMQUVHOHLKABQ-UHFFFAOYSA-N 1 1 393.443 4.136 20 5 GIBDMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2c1 ZINC000007926680 817961025 /nfs/dbraw/zinc/96/10/25/817961025.db2.gz VXMQUVHOHLKABQ-UHFFFAOYSA-N 1 1 393.443 4.136 20 5 GIBDMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000008121873 818003957 /nfs/dbraw/zinc/00/39/57/818003957.db2.gz YJUGWKNXOOBDCL-JTQLQIEISA-N 1 1 398.246 4.200 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000015358649 818316295 /nfs/dbraw/zinc/31/62/95/818316295.db2.gz XOJGISOCDQQDPN-FQEVSTJZSA-N 1 1 399.447 4.422 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000057874095 823343546 /nfs/dbraw/zinc/34/35/46/823343546.db2.gz PPRAVTVLFCCXAK-LLVKDONJSA-N 1 1 382.247 4.499 20 5 GIBDMO Cc1c(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cccc1[N+](=O)[O-] ZINC000018215583 818557421 /nfs/dbraw/zinc/55/74/21/818557421.db2.gz AIBNKWJDLRUHPL-UHFFFAOYSA-N 1 1 389.455 4.014 20 5 GIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000410351957 823470945 /nfs/dbraw/zinc/47/09/45/823470945.db2.gz GVLVAZVRYBIIHI-INIZCTEOSA-N 1 1 382.464 4.148 20 5 GIBDMO Cc1c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cccc1[N+](=O)[O-] ZINC000058950230 823474677 /nfs/dbraw/zinc/47/46/77/823474677.db2.gz IAWILFWQIXLVNB-INIZCTEOSA-N 1 1 381.476 4.208 20 5 GIBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000123238040 823483449 /nfs/dbraw/zinc/48/34/49/823483449.db2.gz XVFDKQZQIVYPNT-MRXNPFEDSA-N 1 1 393.553 4.147 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000029936331 820550775 /nfs/dbraw/zinc/55/07/75/820550775.db2.gz UNEWPVPXSCALBV-HXUWFJFHSA-N 1 1 399.447 4.422 20 5 GIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000460738254 823500506 /nfs/dbraw/zinc/50/05/06/823500506.db2.gz BOSAGVYOMZRMHE-HDICACEKSA-N 1 1 395.503 4.311 20 5 GIBDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000032791957 821008317 /nfs/dbraw/zinc/00/83/17/821008317.db2.gz BEVUTQYDMWPVIL-NXEZZACHSA-N 1 1 383.782 4.204 20 5 GIBDMO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000043782986 821457947 /nfs/dbraw/zinc/45/79/47/821457947.db2.gz NPFXHNNYBNBINP-IBGZPJMESA-N 1 1 394.431 4.381 20 5 GIBDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000043782986 821457954 /nfs/dbraw/zinc/45/79/54/821457954.db2.gz NPFXHNNYBNBINP-IBGZPJMESA-N 1 1 394.431 4.381 20 5 GIBDMO Cn1cc(C[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C(F)(F)F)n1 ZINC000180791534 821460992 /nfs/dbraw/zinc/46/09/92/821460992.db2.gz QTFPQJNQBGTZIG-UHFFFAOYSA-N 1 1 394.353 4.239 20 5 GIBDMO Cn1cc(C[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C(F)(F)F)n1 ZINC000180791534 821460997 /nfs/dbraw/zinc/46/09/97/821460997.db2.gz QTFPQJNQBGTZIG-UHFFFAOYSA-N 1 1 394.353 4.239 20 5 GIBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@@H]2C1 ZINC000180814574 821475094 /nfs/dbraw/zinc/47/50/94/821475094.db2.gz GLOWJXZPROKMQZ-ZMYBRWDISA-N 1 1 388.489 4.092 20 5 GIBDMO C[S@@](=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180932441 821544756 /nfs/dbraw/zinc/54/47/56/821544756.db2.gz FFEBURJKXPXUIA-JIPXPUAJSA-N 1 1 380.469 4.211 20 5 GIBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000044754606 821653630 /nfs/dbraw/zinc/65/36/30/821653630.db2.gz NLHJHHKKVQQFEI-CALCHBBNSA-N 1 1 381.476 4.003 20 5 GIBDMO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181664827 821931913 /nfs/dbraw/zinc/93/19/13/821931913.db2.gz MRFIIXSHVBDJNH-KBPBESRZSA-N 1 1 387.505 4.192 20 5 GIBDMO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)c(Cl)c1 ZINC000182441663 822244184 /nfs/dbraw/zinc/24/41/84/822244184.db2.gz ZSZDYGVBPXIGSC-UHFFFAOYSA-N 1 1 382.794 4.322 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000178730272 822406151 /nfs/dbraw/zinc/40/61/51/822406151.db2.gz RHFGMGIXTVKOQS-NSHDSACASA-N 1 1 380.828 4.125 20 5 GIBDMO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1F ZINC000179618567 822514022 /nfs/dbraw/zinc/51/40/22/822514022.db2.gz OQBLUZKIZKDIRL-OAHLLOKOSA-N 1 1 383.782 4.206 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000183757807 822523443 /nfs/dbraw/zinc/52/34/43/822523443.db2.gz ZQPNZPJHARYECH-SNVBAGLBSA-N 1 1 398.246 4.200 20 5 GIBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000183790004 822528508 /nfs/dbraw/zinc/52/85/08/822528508.db2.gz NKQGJUNKQZAYID-GHMZBOCLSA-N 1 1 395.818 4.074 20 5 GIBDMO CCNC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180124980 822620501 /nfs/dbraw/zinc/62/05/01/822620501.db2.gz AUYGHTMAALZSKE-JOCHJYFZSA-N 1 1 389.455 4.224 20 5 GIBDMO CCNC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180124962 822620535 /nfs/dbraw/zinc/62/05/35/822620535.db2.gz AUYGHTMAALZSKE-QFIPXVFZSA-N 1 1 389.455 4.224 20 5 GIBDMO Cc1nccn1-c1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000180177214 822633016 /nfs/dbraw/zinc/63/30/16/822633016.db2.gz XAKFMBDCOUZWIL-QHCPKHFHSA-N 1 1 399.454 4.363 20 5 GIBDMO O=C(C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1 ZINC000180336556 822665610 /nfs/dbraw/zinc/66/56/10/822665610.db2.gz ZDPZSDWFVMZVJB-NRFANRHFSA-N 1 1 379.391 4.052 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)cs2)c1 ZINC000180601025 822709137 /nfs/dbraw/zinc/70/91/37/822709137.db2.gz JMVJDJGGEFSGPC-AEFFLSMTSA-N 1 1 399.472 4.399 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)cs2)c1 ZINC000180601025 822709139 /nfs/dbraw/zinc/70/91/39/822709139.db2.gz JMVJDJGGEFSGPC-AEFFLSMTSA-N 1 1 399.472 4.399 20 5 GIBDMO Cc1ccc(OC2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)cc1C ZINC000051992205 822786218 /nfs/dbraw/zinc/78/62/18/822786218.db2.gz GNLBRCQFAGWNDX-UHFFFAOYSA-N 1 1 398.459 4.122 20 5 GIBDMO Cc1c(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000174474804 822794788 /nfs/dbraw/zinc/79/47/88/822794788.db2.gz SEOKTHZOCWOTCX-KSSFIOAISA-N 1 1 388.493 4.169 20 5 GIBDMO C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686592 822810204 /nfs/dbraw/zinc/81/02/04/822810204.db2.gz JIHKDAFXMAGPNO-WMZOPIPTSA-N 1 1 398.507 4.035 20 5 GIBDMO C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686592 822810207 /nfs/dbraw/zinc/81/02/07/822810207.db2.gz JIHKDAFXMAGPNO-WMZOPIPTSA-N 1 1 398.507 4.035 20 5 GIBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)c1ccc(F)cc1 ZINC000053088632 822821139 /nfs/dbraw/zinc/82/11/39/822821139.db2.gz WIVXEOSNLSEBNL-AWEZNQCLSA-N 1 1 389.427 4.154 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)o2)c1 ZINC000186434313 822894723 /nfs/dbraw/zinc/89/47/23/822894723.db2.gz VQVYQMPTTDLQFA-JOCHJYFZSA-N 1 1 376.412 4.486 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCSC4(CCOCC4)C3)s2)cc1 ZINC000186488760 822903739 /nfs/dbraw/zinc/90/37/39/822903739.db2.gz LBSBYBWXWYUVGK-UHFFFAOYSA-N 1 1 390.530 4.421 20 5 GIBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](CCc3ccccc3)C1)CCC2 ZINC000569588428 822942805 /nfs/dbraw/zinc/94/28/05/822942805.db2.gz YPQTUBMXIRIEQC-AUSIDOKSSA-N 1 1 379.504 4.126 20 5 GIBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](CCc3ccccc3)C1)CCC2 ZINC000569588428 822942807 /nfs/dbraw/zinc/94/28/07/822942807.db2.gz YPQTUBMXIRIEQC-AUSIDOKSSA-N 1 1 379.504 4.126 20 5 GIBDMO CN(C)C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1 ZINC000569611721 822944620 /nfs/dbraw/zinc/94/46/20/822944620.db2.gz JTNANPMHPAAEES-HXUWFJFHSA-N 1 1 383.423 4.386 20 5 GIBDMO O=C(CC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411379168 823567659 /nfs/dbraw/zinc/56/76/59/823567659.db2.gz DMLFNZPZRZFDRD-SFHVURJKSA-N 1 1 394.431 4.292 20 5 GIBDMO O=C(CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411794978 823605411 /nfs/dbraw/zinc/60/54/11/823605411.db2.gz QDDXUQQWAKBZTN-LJQANCHMSA-N 1 1 393.447 4.027 20 5 GIBDMO O=C(CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411794978 823605412 /nfs/dbraw/zinc/60/54/12/823605412.db2.gz QDDXUQQWAKBZTN-LJQANCHMSA-N 1 1 393.447 4.027 20 5 GIBDMO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000411986053 823618182 /nfs/dbraw/zinc/61/81/82/823618182.db2.gz PAVMPVZNLMCBEO-HNNXBMFYSA-N 1 1 396.534 4.029 20 5 GIBDMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000411986053 823618183 /nfs/dbraw/zinc/61/81/83/823618183.db2.gz PAVMPVZNLMCBEO-HNNXBMFYSA-N 1 1 396.534 4.029 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@H](c4ccccc4)C4(CCC4)C3)o2)cc1 ZINC000411992156 823618872 /nfs/dbraw/zinc/61/88/72/823618872.db2.gz VAJNKWLJSLXNQQ-LJQANCHMSA-N 1 1 390.443 4.415 20 5 GIBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](c3ccccc3)C3(CO)CCCCC3)nc2c1 ZINC000412010222 823622235 /nfs/dbraw/zinc/62/22/35/823622235.db2.gz PSHRWTAEBHSBKL-OAQYLSRUSA-N 1 1 394.475 4.245 20 5 GIBDMO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000062264203 823627138 /nfs/dbraw/zinc/62/71/38/823627138.db2.gz VFVAVQNGFUWDIL-UHFFFAOYSA-N 1 1 394.431 4.224 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc([N+](=O)[O-])c3cccnc23)cc1F ZINC000063254780 823657258 /nfs/dbraw/zinc/65/72/58/823657258.db2.gz SHRQIOKIJNVFML-UHFFFAOYSA-N 1 1 377.379 4.388 20 5 GIBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000461570686 823662081 /nfs/dbraw/zinc/66/20/81/823662081.db2.gz OJCKGONUFPKZIN-UHFFFAOYSA-N 1 1 399.516 4.317 20 5 GIBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000063693952 823689759 /nfs/dbraw/zinc/68/97/59/823689759.db2.gz LNJAVUKBEWOKML-KRWDZBQOSA-N 1 1 396.491 4.189 20 5 GIBDMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413232793 823734825 /nfs/dbraw/zinc/73/48/25/823734825.db2.gz GYVSZTXHOILEQD-SFHVURJKSA-N 1 1 391.475 4.029 20 5 GIBDMO CSCC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000164243870 823789423 /nfs/dbraw/zinc/78/94/23/823789423.db2.gz MTBFDVCTOYPKGE-ZBFHGGJFSA-N 1 1 385.493 4.091 20 5 GIBDMO CSCC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1nnc2ccccn21 ZINC000164259291 823790532 /nfs/dbraw/zinc/79/05/32/823790532.db2.gz ZGGZJFJDJSBVTD-WMLDXEAASA-N 1 1 385.493 4.091 20 5 GIBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 ZINC000064348800 823797829 /nfs/dbraw/zinc/79/78/29/823797829.db2.gz KCBYHUCMNJFHOD-YJBOKZPZSA-N 1 1 384.432 4.164 20 5 GIBDMO CC(C)[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350456 823798957 /nfs/dbraw/zinc/79/89/57/823798957.db2.gz GDAFILZTWRLIOZ-UHFFFAOYSA-N 1 1 393.390 4.045 20 5 GIBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350456 823798959 /nfs/dbraw/zinc/79/89/59/823798959.db2.gz GDAFILZTWRLIOZ-UHFFFAOYSA-N 1 1 393.390 4.045 20 5 GIBDMO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350531 823799236 /nfs/dbraw/zinc/79/92/36/823799236.db2.gz MIFAZEJLYDFSOC-UHFFFAOYSA-N 1 1 379.819 4.236 20 5 GIBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350531 823799242 /nfs/dbraw/zinc/79/92/42/823799242.db2.gz MIFAZEJLYDFSOC-UHFFFAOYSA-N 1 1 379.819 4.236 20 5 GIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000462435053 823974364 /nfs/dbraw/zinc/97/43/64/823974364.db2.gz DHWIUJOVVMLMQV-NQIIRXRSSA-N 1 1 393.487 4.175 20 5 GIBDMO CC(C)C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCc2cccnc21 ZINC000126921344 823981254 /nfs/dbraw/zinc/98/12/54/823981254.db2.gz QJSQZEIFKYIPOF-FQEVSTJZSA-N 1 1 397.475 4.392 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cs2)c1 ZINC000414488042 823993578 /nfs/dbraw/zinc/99/35/78/823993578.db2.gz QCCCLYNARZVCPV-RTBURBONSA-N 1 1 381.457 4.026 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cs2)c1 ZINC000414488042 823993583 /nfs/dbraw/zinc/99/35/83/823993583.db2.gz QCCCLYNARZVCPV-RTBURBONSA-N 1 1 381.457 4.026 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H](c4cccc(F)c4)C3)o2)c1 ZINC000170917139 824004586 /nfs/dbraw/zinc/00/45/86/824004586.db2.gz CKZHWVNDCNRRBN-FQEVSTJZSA-N 1 1 397.406 4.005 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H](c4cccc(F)c4)C3)o2)c1 ZINC000170917139 824004592 /nfs/dbraw/zinc/00/45/92/824004592.db2.gz CKZHWVNDCNRRBN-FQEVSTJZSA-N 1 1 397.406 4.005 20 5 GIBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000414549888 824009124 /nfs/dbraw/zinc/00/91/24/824009124.db2.gz MCQRYXAEGPWMDU-KRWDZBQOSA-N 1 1 399.516 4.300 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2nccs2)cc1 ZINC000171050390 824047830 /nfs/dbraw/zinc/04/78/30/824047830.db2.gz WCMKJOXSXYAZLL-UHFFFAOYSA-N 1 1 391.456 4.194 20 5 GIBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)CCC2 ZINC000192651780 824056055 /nfs/dbraw/zinc/05/60/55/824056055.db2.gz SUPTXGDECQKUIR-INIZCTEOSA-N 1 1 381.354 4.098 20 5 GIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164627809 719071325 /nfs/dbraw/zinc/07/13/25/719071325.db2.gz QWCYGSJYIWERDP-AEFFLSMTSA-N 1 1 386.883 4.052 20 5 GIBDMO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164630873 719092852 /nfs/dbraw/zinc/09/28/52/719092852.db2.gz WZXZXQPQNCSPRQ-DENIHFKCSA-N 1 1 388.471 4.244 20 5 GIBDMO O=[N+]([O-])c1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164993221 722192495 /nfs/dbraw/zinc/19/24/95/722192495.db2.gz CYPDQGZPGGTIGU-IBGZPJMESA-N 1 1 390.846 4.027 20 5 GIBDMO O=[N+]([O-])c1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164993221 722192497 /nfs/dbraw/zinc/19/24/97/722192497.db2.gz CYPDQGZPGGTIGU-IBGZPJMESA-N 1 1 390.846 4.027 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000176189534 823148499 /nfs/dbraw/zinc/14/84/99/823148499.db2.gz CYSBBRTWFNQUJB-GFCCVEGCSA-N 1 1 384.823 4.233 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000176190559 823148976 /nfs/dbraw/zinc/14/89/76/823148976.db2.gz MUBZDQRASYZZQV-LBPRGKRZSA-N 1 1 384.823 4.233 20 5 GIBDMO Cc1ccnc([C@H]2CC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)c1 ZINC000571295375 823161702 /nfs/dbraw/zinc/16/17/02/823161702.db2.gz WNQXTNISKYZHEC-ZDUSSCGKSA-N 1 1 376.254 4.050 20 5 GIBDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)c1 ZINC000571295375 823161704 /nfs/dbraw/zinc/16/17/04/823161704.db2.gz WNQXTNISKYZHEC-ZDUSSCGKSA-N 1 1 376.254 4.050 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000121686516 823230396 /nfs/dbraw/zinc/23/03/96/823230396.db2.gz RUTXGWVWESEQOM-HUUCEWRRSA-N 1 1 393.447 4.210 20 5 GIBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459649583 823238855 /nfs/dbraw/zinc/23/88/55/823238855.db2.gz MELXFAXQYLYUEZ-NJELEJDNSA-N 1 1 384.398 4.289 20 5 GIBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176581747 823241343 /nfs/dbraw/zinc/24/13/43/823241343.db2.gz XDOGIDSIOUJAGA-PBHICJAKSA-N 1 1 387.867 4.031 20 5 GIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409653165 823274622 /nfs/dbraw/zinc/27/46/22/823274622.db2.gz SDTPEAZCVFQISO-MRXNPFEDSA-N 1 1 377.448 4.060 20 5 GIBDMO Cc1cc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000409660757 823276417 /nfs/dbraw/zinc/27/64/17/823276417.db2.gz UARAGPFIUNEPLO-MRXNPFEDSA-N 1 1 391.475 4.368 20 5 GIBDMO C[C@@H]1C[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176721405 823276810 /nfs/dbraw/zinc/27/68/10/823276810.db2.gz PGOJZBCDNVQPFH-ZBFHGGJFSA-N 1 1 387.867 4.031 20 5 GIBDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177035444 823356010 /nfs/dbraw/zinc/35/60/10/823356010.db2.gz LOYTYOJRLFWZHS-UHFFFAOYSA-N 1 1 391.431 4.191 20 5 GIBDMO CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1F ZINC000177176293 823391593 /nfs/dbraw/zinc/39/15/93/823391593.db2.gz LNBILWRPWIZQJF-SFHVURJKSA-N 1 1 378.375 4.226 20 5 GIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000058520653 823403295 /nfs/dbraw/zinc/40/32/95/823403295.db2.gz DKMSPYQUCIIDKZ-MRXNPFEDSA-N 1 1 382.464 4.291 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000410351884 823470687 /nfs/dbraw/zinc/47/06/87/823470687.db2.gz GIKKDFIVBJRYGK-MRXNPFEDSA-N 1 1 396.491 4.457 20 5 GIBDMO Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000058952304 823475008 /nfs/dbraw/zinc/47/50/08/823475008.db2.gz VQNNSTDRDIKRBJ-INIZCTEOSA-N 1 1 381.476 4.065 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000410364503 823475546 /nfs/dbraw/zinc/47/55/46/823475546.db2.gz INVFAOYHIDQVMO-INIZCTEOSA-N 1 1 396.491 4.457 20 5 GIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000410367000 823476666 /nfs/dbraw/zinc/47/66/66/823476666.db2.gz NATVBIJPDSONGH-INIZCTEOSA-N 1 1 382.464 4.148 20 5 GIBDMO C[C@H](C1CC1)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000029844816 820531445 /nfs/dbraw/zinc/53/14/45/820531445.db2.gz QKYQVHHEGCHIDO-OAHLLOKOSA-N 1 1 378.432 4.446 20 5 GIBDMO C[C@@H](C1CC1)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000029844809 820531476 /nfs/dbraw/zinc/53/14/76/820531476.db2.gz QKYQVHHEGCHIDO-HNNXBMFYSA-N 1 1 378.432 4.446 20 5 GIBDMO CCc1ccc(C[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)cc1 ZINC000059579021 823496776 /nfs/dbraw/zinc/49/67/76/823496776.db2.gz HWAAORANVFFWDX-UHFFFAOYSA-N 1 1 377.448 4.038 20 5 GIBDMO CCc1ccc(C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)cc1 ZINC000059579021 823496778 /nfs/dbraw/zinc/49/67/78/823496778.db2.gz HWAAORANVFFWDX-UHFFFAOYSA-N 1 1 377.448 4.038 20 5 GIBDMO C[N@@H+](Cc1ccccc1CNC(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000059888515 823501823 /nfs/dbraw/zinc/50/18/23/823501823.db2.gz BRYQCKODSGAYIY-UHFFFAOYSA-N 1 1 381.476 4.289 20 5 GIBDMO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000177740476 823518958 /nfs/dbraw/zinc/51/89/58/823518958.db2.gz RRPCMSSPDTZGJZ-IRXDYDNUSA-N 1 1 388.468 4.060 20 5 GIBDMO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000177740476 823518960 /nfs/dbraw/zinc/51/89/60/823518960.db2.gz RRPCMSSPDTZGJZ-IRXDYDNUSA-N 1 1 388.468 4.060 20 5 GIBDMO Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000036332832 821070848 /nfs/dbraw/zinc/07/08/48/821070848.db2.gz UZGMFHJAWLFLOY-IBGZPJMESA-N 1 1 387.867 4.124 20 5 GIBDMO Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000036330104 821070980 /nfs/dbraw/zinc/07/09/80/821070980.db2.gz ZQETVTVHWIMBMZ-IBGZPJMESA-N 1 1 387.867 4.124 20 5 GIBDMO CC[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc2c(c1)OCCO2 ZINC000180641372 821378877 /nfs/dbraw/zinc/37/88/77/821378877.db2.gz CDFAEBOZWBBFFE-SFHVURJKSA-N 1 1 395.415 4.262 20 5 GIBDMO C[S@](=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180932425 821544681 /nfs/dbraw/zinc/54/46/81/821544681.db2.gz FFEBURJKXPXUIA-IDISGSTGSA-N 1 1 380.469 4.211 20 5 GIBDMO Cc1ccc([C@@H](C)[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1[N+](=O)[O-] ZINC000178477584 822382924 /nfs/dbraw/zinc/38/29/24/822382924.db2.gz YSCMHOALEKYYCM-MRXNPFEDSA-N 1 1 376.460 4.428 20 5 GIBDMO COc1cc(Br)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000178653376 822399775 /nfs/dbraw/zinc/39/97/75/822399775.db2.gz ZCWCTPBBUUZXMD-LLVKDONJSA-N 1 1 395.253 4.225 20 5 GIBDMO Cc1sc2[nH]c([C@@H](C)[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000178688612 822403228 /nfs/dbraw/zinc/40/32/28/822403228.db2.gz CTWQFRZZXUJKRG-NWDGAFQWSA-N 1 1 386.477 4.230 20 5 GIBDMO CCOc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000183189505 822438476 /nfs/dbraw/zinc/43/84/76/822438476.db2.gz JPTFVRMFJSHUAY-XYJFISCASA-N 1 1 375.513 4.297 20 5 GIBDMO COc1ccc(C[NH2+]C(C)(C)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000179329372 822466948 /nfs/dbraw/zinc/46/69/48/822466948.db2.gz SZIAEFSCPJWGDF-UHFFFAOYSA-N 1 1 379.254 4.391 20 5 GIBDMO Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)n1 ZINC000183561256 822494893 /nfs/dbraw/zinc/49/48/93/822494893.db2.gz ULKKCXJUVWHQCM-BONVTDFDSA-N 1 1 394.884 4.081 20 5 GIBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454597506 822503534 /nfs/dbraw/zinc/50/35/34/822503534.db2.gz OFGYKTVBGZEBJG-UWVAXJGDSA-N 1 1 396.491 4.008 20 5 GIBDMO COc1cc(C)c([C@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000179632336 822516603 /nfs/dbraw/zinc/51/66/03/822516603.db2.gz YJNOTNLYZINDFC-AWEZNQCLSA-N 1 1 397.431 4.426 20 5 GIBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000183789953 822528536 /nfs/dbraw/zinc/52/85/36/822528536.db2.gz NKQGJUNKQZAYID-QWRGUYRKSA-N 1 1 395.818 4.074 20 5 GIBDMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O ZINC000180012231 822596246 /nfs/dbraw/zinc/59/62/46/822596246.db2.gz RZQCVDZUENYVRD-PIGZYNQJSA-N 1 1 389.839 4.209 20 5 GIBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)c2ccccc2)c1 ZINC000180065143 822607469 /nfs/dbraw/zinc/60/74/69/822607469.db2.gz BUTVUTXCDBMULH-HSZRJFAPSA-N 1 1 388.471 4.469 20 5 GIBDMO COc1cc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000184294580 822610196 /nfs/dbraw/zinc/61/01/96/822610196.db2.gz ZMEYOXHVIOYRES-UHFFFAOYSA-N 1 1 392.402 4.063 20 5 GIBDMO COc1cc(C[NH2+]C2(c3ccc(Br)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000184304936 822611399 /nfs/dbraw/zinc/61/13/99/822611399.db2.gz FVWPTFYLLFSJBF-UHFFFAOYSA-N 1 1 395.228 4.284 20 5 GIBDMO COc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])cc1F ZINC000184306107 822611641 /nfs/dbraw/zinc/61/16/41/822611641.db2.gz LXRPPDQECQSMHY-SNVBAGLBSA-N 1 1 383.217 4.356 20 5 GIBDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1nc(C)cs1 ZINC000184419367 822631821 /nfs/dbraw/zinc/63/18/21/822631821.db2.gz CGGUHGRCJMPTMO-GWCFXTLKSA-N 1 1 382.873 4.081 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184525865 822651091 /nfs/dbraw/zinc/65/10/91/822651091.db2.gz XDTUFRQILKYOCT-AWEZNQCLSA-N 1 1 396.472 4.316 20 5 GIBDMO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1OC ZINC000180416066 822678119 /nfs/dbraw/zinc/67/81/19/822678119.db2.gz KKOCDMGMOPSFKS-NSHDSACASA-N 1 1 395.253 4.225 20 5 GIBDMO COc1cc(-c2nc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cs2)ccc1O ZINC000180441029 822682628 /nfs/dbraw/zinc/68/26/28/822682628.db2.gz YAKNWVDEBVTKAG-LBPRGKRZSA-N 1 1 385.445 4.283 20 5 GIBDMO Cn1cc(C[N@@H+](CCC(F)(F)F)CC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180536721 822698226 /nfs/dbraw/zinc/69/82/26/822698226.db2.gz CRVOJMFCONIJOD-UHFFFAOYSA-N 1 1 382.386 4.160 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180561678 822702940 /nfs/dbraw/zinc/70/29/40/822702940.db2.gz CRPRDQWZRXVZBI-MRXNPFEDSA-N 1 1 399.344 4.264 20 5 GIBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133708 822747694 /nfs/dbraw/zinc/74/76/94/822747694.db2.gz MYBWRKQXHVWFFH-PLMTUMEDSA-N 1 1 397.475 4.022 20 5 GIBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133759 822747710 /nfs/dbraw/zinc/74/77/10/822747710.db2.gz RGWXVMKFCZEXSX-PGRDOPGGSA-N 1 1 397.475 4.023 20 5 GIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724617 822814797 /nfs/dbraw/zinc/81/47/97/822814797.db2.gz QFOKUKOEQSSNPU-SJORKVTESA-N 1 1 375.513 4.125 20 5 GIBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000053470337 822836421 /nfs/dbraw/zinc/83/64/21/822836421.db2.gz XAGTXIDLXKFSMB-CALCHBBNSA-N 1 1 381.476 4.003 20 5 GIBDMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174841153 822844890 /nfs/dbraw/zinc/84/48/90/822844890.db2.gz BWGJCMPVGXMVQB-UHFFFAOYSA-N 1 1 391.830 4.238 20 5 GIBDMO COc1cccc(C([NH2+]Cc2cccc([N+](=O)[O-])c2)c2cccc(OC)c2)c1 ZINC000174927885 822857203 /nfs/dbraw/zinc/85/72/03/822857203.db2.gz HJTDENYIAHTHCI-UHFFFAOYSA-N 1 1 378.428 4.491 20 5 GIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569058951 822875034 /nfs/dbraw/zinc/87/50/34/822875034.db2.gz VQYDRZOTHMHCMR-VQTJNVASSA-N 1 1 388.471 4.101 20 5 GIBDMO Cn1cccc1[C@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000175122951 822886893 /nfs/dbraw/zinc/88/68/93/822886893.db2.gz NOFZIXNQHTYXJH-LJQANCHMSA-N 1 1 380.448 4.358 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@]4(CCSC4)C3)o2)c(Cl)c1 ZINC000569342208 822909713 /nfs/dbraw/zinc/90/97/13/822909713.db2.gz ZIUHYBRWTFRXRV-GOSISDBHSA-N 1 1 394.880 4.216 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@]4(CCSC4)C3)o2)c(Cl)c1 ZINC000569342208 822909714 /nfs/dbraw/zinc/90/97/14/822909714.db2.gz ZIUHYBRWTFRXRV-GOSISDBHSA-N 1 1 394.880 4.216 20 5 GIBDMO CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC(C)(C)C1 ZINC000570326637 823026144 /nfs/dbraw/zinc/02/61/44/823026144.db2.gz WBBNLNRPPGVYNI-QGZVFWFLSA-N 1 1 375.494 4.498 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190176498 823546680 /nfs/dbraw/zinc/54/66/80/823546680.db2.gz PPENBDIDLFMWCS-OAHLLOKOSA-N 1 1 387.402 4.142 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000190455905 823577229 /nfs/dbraw/zinc/57/72/29/823577229.db2.gz FCWCQAHYWZBFFU-NSHDSACASA-N 1 1 395.253 4.225 20 5 GIBDMO O=C(CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411794968 823605323 /nfs/dbraw/zinc/60/53/23/823605323.db2.gz QDDXUQQWAKBZTN-IBGZPJMESA-N 1 1 393.447 4.027 20 5 GIBDMO O=C(CC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411794968 823605327 /nfs/dbraw/zinc/60/53/27/823605327.db2.gz QDDXUQQWAKBZTN-IBGZPJMESA-N 1 1 393.447 4.027 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000124613105 823611095 /nfs/dbraw/zinc/61/10/95/823611095.db2.gz HHBSLPWRMJHOJH-QRVBRYPASA-N 1 1 397.519 4.363 20 5 GIBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411995608 823619471 /nfs/dbraw/zinc/61/94/71/823619471.db2.gz DQPKQLRKDWQNOH-OAQYLSRUSA-N 1 1 382.460 4.347 20 5 GIBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411995608 823619473 /nfs/dbraw/zinc/61/94/73/823619473.db2.gz DQPKQLRKDWQNOH-OAQYLSRUSA-N 1 1 382.460 4.347 20 5 GIBDMO Cc1ccc(C(C)(C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000574539718 823759314 /nfs/dbraw/zinc/75/93/14/823759314.db2.gz AQEKETDSWDHALK-HXUWFJFHSA-N 1 1 378.476 4.294 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000574587265 823772893 /nfs/dbraw/zinc/77/28/93/823772893.db2.gz XKZZSJLOZGNGIL-MRXNPFEDSA-N 1 1 399.413 4.286 20 5 GIBDMO Cc1cc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461966199 823775179 /nfs/dbraw/zinc/77/51/79/823775179.db2.gz OHLONEULSNHNMI-CYBMUJFWSA-N 1 1 382.386 4.115 20 5 GIBDMO CC[C@H]([NH2+][C@@H](CCSC)c1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000164271510 823791477 /nfs/dbraw/zinc/79/14/77/823791477.db2.gz UOJBBPUDZDCAQR-IRXDYDNUSA-N 1 1 385.493 4.173 20 5 GIBDMO COc1cccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000164375552 823798947 /nfs/dbraw/zinc/79/89/47/823798947.db2.gz GUVQTHONMYHEFR-HXUWFJFHSA-N 1 1 383.448 4.078 20 5 GIBDMO COc1ccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1Cl ZINC000064350539 823798920 /nfs/dbraw/zinc/79/89/20/823798920.db2.gz GVWNXTWXAHXCRG-UHFFFAOYSA-N 1 1 391.855 4.106 20 5 GIBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1Cl ZINC000064350539 823798927 /nfs/dbraw/zinc/79/89/27/823798927.db2.gz GVWNXTWXAHXCRG-UHFFFAOYSA-N 1 1 391.855 4.106 20 5 GIBDMO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(OC)cc1 ZINC000170913206 824004134 /nfs/dbraw/zinc/00/41/34/824004134.db2.gz BHVNVZKPCGZFHU-UHFFFAOYSA-N 1 1 381.432 4.323 20 5 GIBDMO CSCC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nnc2ccccn21 ZINC000192622708 824048151 /nfs/dbraw/zinc/04/81/51/824048151.db2.gz MGSHVAOQZKLYQZ-ZWKOTPCHSA-N 1 1 397.504 4.099 20 5 GIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164627812 719070721 /nfs/dbraw/zinc/07/07/21/719070721.db2.gz QWCYGSJYIWERDP-WMZOPIPTSA-N 1 1 386.883 4.052 20 5 GIBDMO Cc1cc([N+](=O)[O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164622874 719071164 /nfs/dbraw/zinc/07/11/64/719071164.db2.gz JDWKIGXUGBBZGP-SJLPKXTDSA-N 1 1 386.883 4.052 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000055855429 823054318 /nfs/dbraw/zinc/05/43/18/823054318.db2.gz GGYHOORYZLYKLU-QFIPXVFZSA-N 1 1 393.418 4.360 20 5 GIBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000571178750 823144568 /nfs/dbraw/zinc/14/45/68/823144568.db2.gz OKIOLDSPCSXXOJ-HUUCEWRRSA-N 1 1 393.212 4.207 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000121244479 823146342 /nfs/dbraw/zinc/14/63/42/823146342.db2.gz AYCKNDBGZHJNSQ-KRWDZBQOSA-N 1 1 387.436 4.142 20 5 GIBDMO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccco1 ZINC000409484108 823231793 /nfs/dbraw/zinc/23/17/93/823231793.db2.gz KRNROYAFVWZFDD-SFHVURJKSA-N 1 1 395.415 4.013 20 5 GIBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1OC(F)F ZINC000409639962 823270226 /nfs/dbraw/zinc/27/02/26/823270226.db2.gz SXEAWLDICLUXJO-ZDUSSCGKSA-N 1 1 392.406 4.113 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000026225764 820071644 /nfs/dbraw/zinc/07/16/44/820071644.db2.gz AQIOUKQGNCCQMG-UHFFFAOYSA-N 1 1 395.381 4.383 20 5 GIBDMO Cc1sc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000058949475 823474274 /nfs/dbraw/zinc/47/42/74/823474274.db2.gz IDBFASVOFRQWHL-AWEZNQCLSA-N 1 1 387.505 4.127 20 5 GIBDMO Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000058952500 823474979 /nfs/dbraw/zinc/47/49/79/823474979.db2.gz OCNOKHARTWONKR-MRXNPFEDSA-N 1 1 381.476 4.208 20 5 GIBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189794624 823495902 /nfs/dbraw/zinc/49/59/02/823495902.db2.gz JPHCNPFWMZTXPM-UHFFFAOYSA-N 1 1 375.513 4.302 20 5 GIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000460745498 823502648 /nfs/dbraw/zinc/50/26/48/823502648.db2.gz CCMRCYBSPFEYQW-HDICACEKSA-N 1 1 395.503 4.311 20 5 GIBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1F ZINC000032791958 821008238 /nfs/dbraw/zinc/00/82/38/821008238.db2.gz BEVUTQYDMWPVIL-ZJUUUORDSA-N 1 1 383.782 4.204 20 5 GIBDMO CCc1nn(C)c(CC)c1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181017311 821595822 /nfs/dbraw/zinc/59/58/22/821595822.db2.gz XXUSDAVJNHARAB-JOCHJYFZSA-N 1 1 378.476 4.332 20 5 GIBDMO Cc1c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000044877247 821676305 /nfs/dbraw/zinc/67/63/05/821676305.db2.gz DEFBSWIDKQLTLQ-MRXNPFEDSA-N 1 1 381.476 4.065 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000178729835 822405922 /nfs/dbraw/zinc/40/59/22/822405922.db2.gz GYPXSUAEQZWFFN-JTQLQIEISA-N 1 1 383.217 4.356 20 5 GIBDMO C[N@@H+]1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1ccccc1 ZINC000179045213 822433196 /nfs/dbraw/zinc/43/31/96/822433196.db2.gz MDWUSYXTDJUMPN-UXHICEINSA-N 1 1 394.500 4.253 20 5 GIBDMO C[N@H+]1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1ccccc1 ZINC000179045213 822433198 /nfs/dbraw/zinc/43/31/98/822433198.db2.gz MDWUSYXTDJUMPN-UXHICEINSA-N 1 1 394.500 4.253 20 5 GIBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2C1 ZINC000183393090 822467746 /nfs/dbraw/zinc/46/77/46/822467746.db2.gz RFWLNFJPQPOIKZ-CQSZACIVSA-N 1 1 385.439 4.448 20 5 GIBDMO Cc1cccc(C2=CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000179398557 822477075 /nfs/dbraw/zinc/47/70/75/822477075.db2.gz NPVRQKIISQOMTP-UHFFFAOYSA-N 1 1 376.416 4.243 20 5 GIBDMO Cc1cccc(C2=CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000179398557 822477078 /nfs/dbraw/zinc/47/70/78/822477078.db2.gz NPVRQKIISQOMTP-UHFFFAOYSA-N 1 1 376.416 4.243 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCN(c4nccs4)CC3)o2)cc1 ZINC000179608424 822512056 /nfs/dbraw/zinc/51/20/56/822512056.db2.gz PNSGJWUFVFVYLD-UHFFFAOYSA-N 1 1 384.461 4.024 20 5 GIBDMO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1F ZINC000179618556 822513972 /nfs/dbraw/zinc/51/39/72/822513972.db2.gz OQBLUZKIZKDIRL-HNNXBMFYSA-N 1 1 383.782 4.206 20 5 GIBDMO COc1cc(C)c([C@@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000179632316 822516392 /nfs/dbraw/zinc/51/63/92/822516392.db2.gz YJNOTNLYZINDFC-CQSZACIVSA-N 1 1 397.431 4.426 20 5 GIBDMO Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000046794795 822517811 /nfs/dbraw/zinc/51/78/11/822517811.db2.gz OYZNCNFGCLSGSF-KRWDZBQOSA-N 1 1 381.476 4.208 20 5 GIBDMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183803995 822530105 /nfs/dbraw/zinc/53/01/05/822530105.db2.gz HTKYMLNEBCIEBQ-UHFFFAOYSA-N 1 1 388.830 4.480 20 5 GIBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000047187690 822552615 /nfs/dbraw/zinc/55/26/15/822552615.db2.gz LFXGMTIIQGLAPS-AWEZNQCLSA-N 1 1 375.494 4.194 20 5 GIBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)c2ccccc2)c1 ZINC000180078781 822610997 /nfs/dbraw/zinc/61/09/97/822610997.db2.gz NKKFFQIRWLWZJF-HSZRJFAPSA-N 1 1 388.471 4.469 20 5 GIBDMO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000184859687 822701912 /nfs/dbraw/zinc/70/19/12/822701912.db2.gz VVCJYBKTIYNKDR-OAHLLOKOSA-N 1 1 394.431 4.238 20 5 GIBDMO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)c1cccc(OC)c1 ZINC000052706287 822807901 /nfs/dbraw/zinc/80/79/01/822807901.db2.gz OSSYDXCRXYWBAY-AWEZNQCLSA-N 1 1 382.420 4.237 20 5 GIBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)c1cccc(OC)c1 ZINC000052706287 822807903 /nfs/dbraw/zinc/80/79/03/822807903.db2.gz OSSYDXCRXYWBAY-AWEZNQCLSA-N 1 1 382.420 4.237 20 5 GIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)s1 ZINC000052936669 822816345 /nfs/dbraw/zinc/81/63/45/822816345.db2.gz IEUSRCDUXVEMKS-UHFFFAOYSA-N 1 1 394.500 4.036 20 5 GIBDMO O=C(C1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1)C(F)(F)F ZINC000186039457 822846342 /nfs/dbraw/zinc/84/63/42/822846342.db2.gz NGPLVNUZRVJOEB-UHFFFAOYSA-N 1 1 389.373 4.290 20 5 GIBDMO COc1cccc(C([NH2+]Cc2ccccc2[N+](=O)[O-])c2cccc(OC)c2)c1 ZINC000174929160 822857370 /nfs/dbraw/zinc/85/73/70/822857370.db2.gz CURWVOLFQAAGPZ-UHFFFAOYSA-N 1 1 378.428 4.491 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000054011155 822858474 /nfs/dbraw/zinc/85/84/74/822858474.db2.gz WGIGYCHKFAJPGK-UHFFFAOYSA-N 1 1 394.431 4.224 20 5 GIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186240474 822863950 /nfs/dbraw/zinc/86/39/50/822863950.db2.gz YQWZUJLAXISIKC-CQSZACIVSA-N 1 1 376.416 4.253 20 5 GIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186240474 822863952 /nfs/dbraw/zinc/86/39/52/822863952.db2.gz YQWZUJLAXISIKC-CQSZACIVSA-N 1 1 376.416 4.253 20 5 GIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000054355287 822877953 /nfs/dbraw/zinc/87/79/53/822877953.db2.gz SSICTZOEIGNTQL-ZFWWWQNUSA-N 1 1 388.855 4.205 20 5 GIBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000175216987 822906842 /nfs/dbraw/zinc/90/68/42/822906842.db2.gz XXAAQRFBDDSZDY-NRFANRHFSA-N 1 1 388.439 4.078 20 5 GIBDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000055152626 822941485 /nfs/dbraw/zinc/94/14/85/822941485.db2.gz QJQJEQSYGAMALM-WDEREUQCSA-N 1 1 395.818 4.074 20 5 GIBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000186735774 822947297 /nfs/dbraw/zinc/94/72/97/822947297.db2.gz MWYLKWVCIWUQIV-WBVHZDCISA-N 1 1 399.516 4.100 20 5 GIBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000175415355 822963484 /nfs/dbraw/zinc/96/34/84/822963484.db2.gz YPAOXOOXOKVQBP-FUHIMQAGSA-N 1 1 396.491 4.008 20 5 GIBDMO COc1ccc(-c2ccc(C[NH2+][C@@H]3c4ccccc4O[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000570076047 823003773 /nfs/dbraw/zinc/00/37/73/823003773.db2.gz SDWQSHPSERZPAC-ZSEKCTLFSA-N 1 1 380.400 4.475 20 5 GIBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000570150973 823010624 /nfs/dbraw/zinc/01/06/24/823010624.db2.gz PKRAPHOPMHUTGA-IDCXYZFESA-N 1 1 399.491 4.401 20 5 GIBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(OC(F)(F)F)c1 ZINC000175755220 823032530 /nfs/dbraw/zinc/03/25/30/823032530.db2.gz UQEHLEPVRDIEPX-LLVKDONJSA-N 1 1 398.337 4.211 20 5 GIBDMO CCOc1ccccc1NC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000177915008 823545583 /nfs/dbraw/zinc/54/55/83/823545583.db2.gz QYYDXGVWAPJANH-UHFFFAOYSA-N 1 1 385.464 4.233 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190176477 823546731 /nfs/dbraw/zinc/54/67/31/823546731.db2.gz PPENBDIDLFMWCS-HNNXBMFYSA-N 1 1 387.402 4.142 20 5 GIBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1c[nH]c2ccccc12 ZINC000190496779 823581209 /nfs/dbraw/zinc/58/12/09/823581209.db2.gz UKXZSPVABYSUGC-UHFFFAOYSA-N 1 1 380.448 4.235 20 5 GIBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000063722555 823691487 /nfs/dbraw/zinc/69/14/87/823691487.db2.gz BTRTZUJJVCIOHK-UHFFFAOYSA-N 1 1 397.475 4.334 20 5 GIBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000163579611 823724795 /nfs/dbraw/zinc/72/47/95/823724795.db2.gz LYDOJYSJKZIXEB-UHFFFAOYSA-N 1 1 390.509 4.010 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000574839627 823839219 /nfs/dbraw/zinc/83/92/19/823839219.db2.gz JSNKLMWXQONRNL-OKILXGFUSA-N 1 1 387.402 4.285 20 5 GIBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)nc2c1 ZINC000192096550 823858978 /nfs/dbraw/zinc/85/89/78/823858978.db2.gz DNCUGOBFHCJDIP-RDTXWAMCSA-N 1 1 391.786 4.148 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000575221319 823944362 /nfs/dbraw/zinc/94/43/62/823944362.db2.gz PCNWJNPACLLVRS-IBGZPJMESA-N 1 1 396.491 4.327 20 5 GIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000462435055 823974294 /nfs/dbraw/zinc/97/42/94/823974294.db2.gz DHWIUJOVVMLMQV-WIYYLYMNSA-N 1 1 393.487 4.175 20 5 GIBDMO CC(C)CCSc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000121222239 823141493 /nfs/dbraw/zinc/14/14/93/823141493.db2.gz ATBGUPYLWKFFSF-RDJZCZTQSA-N 1 1 393.553 4.145 20 5 GIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000121253281 823148470 /nfs/dbraw/zinc/14/84/70/823148470.db2.gz VIXJBVXWIMHQDD-MRXNPFEDSA-N 1 1 385.420 4.103 20 5 GIBDMO O=c1cc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000188105842 823187231 /nfs/dbraw/zinc/18/72/31/823187231.db2.gz AKOPNUVNNUZICZ-ICSRJNTNSA-N 1 1 391.492 4.216 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000121686706 823230381 /nfs/dbraw/zinc/23/03/81/823230381.db2.gz RUTXGWVWESEQOM-LSDHHAIUSA-N 1 1 393.447 4.210 20 5 GIBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459680161 823249303 /nfs/dbraw/zinc/24/93/03/823249303.db2.gz UYZVMRIAVLGKQQ-RTBURBONSA-N 1 1 378.432 4.413 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000057139661 823253874 /nfs/dbraw/zinc/25/38/74/823253874.db2.gz NTJUTJBCJCXVIH-UHFFFAOYSA-N 1 1 377.326 4.115 20 5 GIBDMO COCC[N@H+](Cc1cc(Br)cs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000572018771 823270034 /nfs/dbraw/zinc/27/00/34/823270034.db2.gz JNYBVHVARYSKAA-UHFFFAOYSA-N 1 1 385.283 4.067 20 5 GIBDMO COCC[N@@H+](Cc1cc(Br)cs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000572018771 823270039 /nfs/dbraw/zinc/27/00/39/823270039.db2.gz JNYBVHVARYSKAA-UHFFFAOYSA-N 1 1 385.283 4.067 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008127582 818004783 /nfs/dbraw/zinc/00/47/83/818004783.db2.gz BGTOWOQPMKTRHK-OAHLLOKOSA-N 1 1 393.443 4.216 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000008127582 818004793 /nfs/dbraw/zinc/00/47/93/818004793.db2.gz BGTOWOQPMKTRHK-OAHLLOKOSA-N 1 1 393.443 4.216 20 5 GIBDMO CSc1cccc(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)c1[N+](=O)[O-] ZINC000188910153 823326981 /nfs/dbraw/zinc/32/69/81/823326981.db2.gz GNFLDFCBMIMFDS-UHFFFAOYSA-N 1 1 387.505 4.087 20 5 GIBDMO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000015548307 818337118 /nfs/dbraw/zinc/33/71/18/818337118.db2.gz ZSYRSPUJZYDIDU-HXUWFJFHSA-N 1 1 383.448 4.078 20 5 GIBDMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000015548307 818337125 /nfs/dbraw/zinc/33/71/25/818337125.db2.gz ZSYRSPUJZYDIDU-HXUWFJFHSA-N 1 1 383.448 4.078 20 5 GIBDMO CC(C)(C)[C@H]([NH2+]Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1ccccc1 ZINC000057821291 823337663 /nfs/dbraw/zinc/33/76/63/823337663.db2.gz GIOZPHXCXIBLFA-OAQYLSRUSA-N 1 1 392.459 4.153 20 5 GIBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1cccc(Cl)c1 ZINC000016632049 818461095 /nfs/dbraw/zinc/46/10/95/818461095.db2.gz QIFJXTWPGTWBFX-NSHDSACASA-N 1 1 382.247 4.361 20 5 GIBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000016632049 818461100 /nfs/dbraw/zinc/46/11/00/818461100.db2.gz QIFJXTWPGTWBFX-NSHDSACASA-N 1 1 382.247 4.361 20 5 GIBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000026760255 820140420 /nfs/dbraw/zinc/14/04/20/820140420.db2.gz VPOZABTVZWTHRR-UHFFFAOYSA-N 1 1 395.381 4.058 20 5 GIBDMO Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000058952305 823474959 /nfs/dbraw/zinc/47/49/59/823474959.db2.gz VQNNSTDRDIKRBJ-MRXNPFEDSA-N 1 1 381.476 4.065 20 5 GIBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000123187760 823475911 /nfs/dbraw/zinc/47/59/11/823475911.db2.gz BNFFNEZSTPNKAD-KUHUBIRLSA-N 1 1 396.472 4.148 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000030959023 820711708 /nfs/dbraw/zinc/71/17/08/820711708.db2.gz WCVHULUNRQUYCZ-UHFFFAOYSA-N 1 1 385.464 4.187 20 5 GIBDMO Cc1ccc(NCc2csc([N+](=O)[O-])c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000123524201 823517381 /nfs/dbraw/zinc/51/73/81/823517381.db2.gz JENWLVISUIVSJX-UHFFFAOYSA-N 1 1 388.493 4.001 20 5 GIBDMO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000123533560 823518442 /nfs/dbraw/zinc/51/84/42/823518442.db2.gz IWWONPJFBYFDIK-UHFFFAOYSA-N 1 1 387.505 4.014 20 5 GIBDMO Cc1cccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000041400722 821188769 /nfs/dbraw/zinc/18/87/69/821188769.db2.gz YCGCMIRRTKNVKC-GOSISDBHSA-N 1 1 387.867 4.124 20 5 GIBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180862245 821500156 /nfs/dbraw/zinc/50/01/56/821500156.db2.gz WYERUOCTMALSDG-QWHCGFSZSA-N 1 1 380.876 4.023 20 5 GIBDMO CCOc1ccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1OCC ZINC000181389908 821801419 /nfs/dbraw/zinc/80/14/19/821801419.db2.gz HVLRIYWKUXVALT-ZDUSSCGKSA-N 1 1 385.420 4.384 20 5 GIBDMO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181664845 821931868 /nfs/dbraw/zinc/93/18/68/821931868.db2.gz MRFIIXSHVBDJNH-KGLIPLIRSA-N 1 1 387.505 4.192 20 5 GIBDMO C[S@](=O)C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000182104589 822095305 /nfs/dbraw/zinc/09/53/05/822095305.db2.gz NMPWAQDAPHUQFS-PPHZAIPVSA-N 1 1 384.457 4.064 20 5 GIBDMO CC[C@H]([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000182487538 822262856 /nfs/dbraw/zinc/26/28/56/822262856.db2.gz KMWOVOIRIALKTO-ZDUSSCGKSA-N 1 1 399.394 4.093 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](C4OCCO4)C3)o2)c(Cl)c1 ZINC000179365858 822472038 /nfs/dbraw/zinc/47/20/38/822472038.db2.gz LBXJZTNPYBYICP-ZDUSSCGKSA-N 1 1 392.839 4.093 20 5 GIBDMO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c2c(c1)COCO2 ZINC000179462611 822486318 /nfs/dbraw/zinc/48/63/18/822486318.db2.gz NQXASLKDQHZFQJ-UHFFFAOYSA-N 1 1 390.386 4.299 20 5 GIBDMO Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)n1 ZINC000183553031 822493919 /nfs/dbraw/zinc/49/39/19/822493919.db2.gz GQONVRHGCHRPSF-BONVTDFDSA-N 1 1 394.884 4.081 20 5 GIBDMO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(-n2cccn2)c1 ZINC000183596719 822499163 /nfs/dbraw/zinc/49/91/63/822499163.db2.gz GUCQRBPGPXRCIA-OAHLLOKOSA-N 1 1 389.415 4.286 20 5 GIBDMO Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000046839606 822522919 /nfs/dbraw/zinc/52/29/19/822522919.db2.gz YPSSWUTXNHFPKQ-QGZVFWFLSA-N 1 1 381.476 4.208 20 5 GIBDMO Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000046839605 822522942 /nfs/dbraw/zinc/52/29/42/822522942.db2.gz YPSSWUTXNHFPKQ-KRWDZBQOSA-N 1 1 381.476 4.208 20 5 GIBDMO COc1c(C)c[nH+]c(CN(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1C ZINC000183781963 822527603 /nfs/dbraw/zinc/52/76/03/822527603.db2.gz HXDHULRWQRAYBN-UHFFFAOYSA-N 1 1 398.488 4.371 20 5 GIBDMO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1F ZINC000179772223 822549627 /nfs/dbraw/zinc/54/96/27/822549627.db2.gz XHFQMNLENSSDPP-OAHLLOKOSA-N 1 1 383.782 4.206 20 5 GIBDMO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000180399358 822675538 /nfs/dbraw/zinc/67/55/38/822675538.db2.gz ICCNWBHMAWCHAC-CYBMUJFWSA-N 1 1 397.456 4.356 20 5 GIBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)cc1 ZINC000180431526 822680542 /nfs/dbraw/zinc/68/05/42/822680542.db2.gz BFCUMGOOWHXTFT-UHFFFAOYSA-N 1 1 398.488 4.225 20 5 GIBDMO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000051424280 822759665 /nfs/dbraw/zinc/75/96/65/822759665.db2.gz QEZVPZOHQHPBKI-UHFFFAOYSA-N 1 1 395.381 4.117 20 5 GIBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000051424280 822759667 /nfs/dbraw/zinc/75/96/67/822759667.db2.gz QEZVPZOHQHPBKI-UHFFFAOYSA-N 1 1 395.381 4.117 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000053233765 822827250 /nfs/dbraw/zinc/82/72/50/822827250.db2.gz MSDIQGTTWBOLSR-CYBMUJFWSA-N 1 1 391.855 4.278 20 5 GIBDMO COc1ccc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000053720521 822846017 /nfs/dbraw/zinc/84/60/17/822846017.db2.gz RYHAOSIFBTYFAU-HNNXBMFYSA-N 1 1 383.448 4.230 20 5 GIBDMO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1c1cccc(F)c1 ZINC000175148839 822892256 /nfs/dbraw/zinc/89/22/56/822892256.db2.gz PBNIGBLWQPBRQY-YJYMSZOUSA-N 1 1 382.395 4.367 20 5 GIBDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1c1cccc(F)c1 ZINC000175148839 822892260 /nfs/dbraw/zinc/89/22/60/822892260.db2.gz PBNIGBLWQPBRQY-YJYMSZOUSA-N 1 1 382.395 4.367 20 5 GIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)o1 ZINC000186441972 822896393 /nfs/dbraw/zinc/89/63/93/822896393.db2.gz HYCKYHMBEXCZTC-QFIPXVFZSA-N 1 1 376.412 4.486 20 5 GIBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000458164589 822964162 /nfs/dbraw/zinc/96/41/62/822964162.db2.gz KFUOEBATXFVZEY-MRXNPFEDSA-N 1 1 399.516 4.208 20 5 GIBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000458214298 822969749 /nfs/dbraw/zinc/96/97/49/822969749.db2.gz MLFWDQFUWWUOHZ-MRXNPFEDSA-N 1 1 399.516 4.208 20 5 GIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124095410 823567135 /nfs/dbraw/zinc/56/71/35/823567135.db2.gz KUZXFNXNIKEOFB-DOTOQJQBSA-N 1 1 378.432 4.270 20 5 GIBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1c[nH]c2ccccc12 ZINC000190475384 823579280 /nfs/dbraw/zinc/57/92/80/823579280.db2.gz OTSRVUXOPIQNTJ-UHFFFAOYSA-N 1 1 386.839 4.190 20 5 GIBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1c[nH]c2ccccc12 ZINC000190475384 823579283 /nfs/dbraw/zinc/57/92/83/823579283.db2.gz OTSRVUXOPIQNTJ-UHFFFAOYSA-N 1 1 386.839 4.190 20 5 GIBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)c2C1 ZINC000411936837 823615219 /nfs/dbraw/zinc/61/52/19/823615219.db2.gz FEMJIQNAQWCSLG-UHFFFAOYSA-N 1 1 383.448 4.360 20 5 GIBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)c2C1 ZINC000411936837 823615220 /nfs/dbraw/zinc/61/52/20/823615220.db2.gz FEMJIQNAQWCSLG-UHFFFAOYSA-N 1 1 383.448 4.360 20 5 GIBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000412033934 823623582 /nfs/dbraw/zinc/62/35/82/823623582.db2.gz DAVIYXMSFBWYDL-UHFFFAOYSA-N 1 1 391.855 4.026 20 5 GIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190965843 823631613 /nfs/dbraw/zinc/63/16/13/823631613.db2.gz AHKNSTJPEMUAKZ-CQSZACIVSA-N 1 1 386.452 4.129 20 5 GIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190965843 823631614 /nfs/dbraw/zinc/63/16/14/823631614.db2.gz AHKNSTJPEMUAKZ-CQSZACIVSA-N 1 1 386.452 4.129 20 5 GIBDMO Cc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c4ncccc34)CC2)oc1C ZINC000413140838 823714050 /nfs/dbraw/zinc/71/40/50/823714050.db2.gz JBAKJRRRQUXTAF-UHFFFAOYSA-N 1 1 395.463 4.072 20 5 GIBDMO CSCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1nnc2ccccn21 ZINC000164259985 823790757 /nfs/dbraw/zinc/79/07/57/823790757.db2.gz KHJOCHYZVSDRET-HOCLYGCPSA-N 1 1 385.493 4.091 20 5 GIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000574804654 823832465 /nfs/dbraw/zinc/83/24/65/823832465.db2.gz OJNWCWBEBSQZTD-SFHVURJKSA-N 1 1 381.432 4.120 20 5 GIBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](C)c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000165186721 823838923 /nfs/dbraw/zinc/83/89/23/823838923.db2.gz WVGVIKKNXCCQRJ-ZDUSSCGKSA-N 1 1 377.391 4.203 20 5 GIBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000575026910 823892521 /nfs/dbraw/zinc/89/25/21/823892521.db2.gz GTLNRLIJJREBDE-GOSISDBHSA-N 1 1 391.475 4.086 20 5 GIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000462435054 823974233 /nfs/dbraw/zinc/97/42/33/823974233.db2.gz DHWIUJOVVMLMQV-RXVVDRJESA-N 1 1 393.487 4.175 20 5 GIBDMO Cc1ccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000021935506 207243263 /nfs/dbraw/zinc/24/32/63/207243263.db2.gz ONWOVMIKZFWZDE-UHFFFAOYSA-N 1 1 389.455 4.014 20 5 GIBDMO Cc1cc([N+](=O)[O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164622872 719070736 /nfs/dbraw/zinc/07/07/36/719070736.db2.gz JDWKIGXUGBBZGP-AEFFLSMTSA-N 1 1 386.883 4.052 20 5 GIBDMO O=[N+]([O-])c1cccc2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc21 ZINC001164624388 719074546 /nfs/dbraw/zinc/07/45/46/719074546.db2.gz LPRVWSOFJOTPJZ-TZIWHRDSSA-N 1 1 388.471 4.244 20 5 GIBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000175831156 823050101 /nfs/dbraw/zinc/05/01/01/823050101.db2.gz GVTKXOPIWSORBT-WMZOPIPTSA-N 1 1 376.478 4.013 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000055855426 823054074 /nfs/dbraw/zinc/05/40/74/823054074.db2.gz FELZQIGKPHBTNG-JOCHJYFZSA-N 1 1 393.418 4.360 20 5 GIBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175842497 823052886 /nfs/dbraw/zinc/05/28/86/823052886.db2.gz APNYZKYLIFICON-RDJZCZTQSA-N 1 1 376.478 4.143 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000055910175 823066042 /nfs/dbraw/zinc/06/60/42/823066042.db2.gz JLKWYKLAGISVTH-IBGZPJMESA-N 1 1 383.448 4.078 20 5 GIBDMO CC[N@@H+](Cc1ccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1)C1CC1 ZINC000120950707 823091643 /nfs/dbraw/zinc/09/16/43/823091643.db2.gz SPPUDAUGFMXGDY-UHFFFAOYSA-N 1 1 379.460 4.172 20 5 GIBDMO CSc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1[N+](=O)[O-] ZINC000188014958 823172194 /nfs/dbraw/zinc/17/21/94/823172194.db2.gz WLDROJXDORPUPK-HNNXBMFYSA-N 1 1 393.896 4.003 20 5 GIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000460112512 823286652 /nfs/dbraw/zinc/28/66/52/823286652.db2.gz TUIIEQQBRDERMP-MJGOQNOKSA-N 1 1 381.476 4.028 20 5 GIBDMO Cc1cccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000018215532 818557348 /nfs/dbraw/zinc/55/73/48/818557348.db2.gz WJJOYTKPKUZYNU-UHFFFAOYSA-N 1 1 389.455 4.014 20 5 GIBDMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000122521818 823366665 /nfs/dbraw/zinc/36/66/65/823366665.db2.gz DOGYFOFMDNANAD-UHFFFAOYSA-N 1 1 391.830 4.238 20 5 GIBDMO CC[N@@H+](CCC1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000572795409 823400170 /nfs/dbraw/zinc/40/01/70/823400170.db2.gz HFLQKBXODDCFPT-QGZVFWFLSA-N 1 1 387.524 4.059 20 5 GIBDMO COc1cc(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000058527716 823404296 /nfs/dbraw/zinc/40/42/96/823404296.db2.gz FIBHJPZYNZSBRA-UHFFFAOYSA-N 1 1 376.478 4.226 20 5 GIBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000025507411 819992569 /nfs/dbraw/zinc/99/25/69/819992569.db2.gz WVRCZOKOECQGPS-QGZVFWFLSA-N 1 1 381.476 4.185 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000058764834 823446930 /nfs/dbraw/zinc/44/69/30/823446930.db2.gz WANSABRZKMOYMY-SNVBAGLBSA-N 1 1 398.246 4.200 20 5 GIBDMO Cc1cccc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000058949258 823474294 /nfs/dbraw/zinc/47/42/94/823474294.db2.gz JHMRYFXTHDAUBN-INIZCTEOSA-N 1 1 381.476 4.065 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000029844012 820531520 /nfs/dbraw/zinc/53/15/20/820531520.db2.gz JAZHSNNKTXRRMB-MRXNPFEDSA-N 1 1 397.475 4.233 20 5 GIBDMO Cc1nc([C@@H]2CCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cs1 ZINC000189855930 823506601 /nfs/dbraw/zinc/50/66/01/823506601.db2.gz JCZRTFMWGKQDAJ-KRWDZBQOSA-N 1 1 384.461 4.394 20 5 GIBDMO Cc1nc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000177664994 823510344 /nfs/dbraw/zinc/51/03/44/823510344.db2.gz GFLPUJOKYYLLNJ-UHFFFAOYSA-N 1 1 390.443 4.183 20 5 GIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000460802164 823516312 /nfs/dbraw/zinc/51/63/12/823516312.db2.gz DYHZDUOUYXSULS-UHFFFAOYSA-N 1 1 389.455 4.014 20 5 GIBDMO Cc1cccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000041400720 821188989 /nfs/dbraw/zinc/18/89/89/821188989.db2.gz YCGCMIRRTKNVKC-SFHVURJKSA-N 1 1 387.867 4.124 20 5 GIBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000043784019 821457785 /nfs/dbraw/zinc/45/77/85/821457785.db2.gz UYXHCFIYMGHWFB-OAQYLSRUSA-N 1 1 392.455 4.134 20 5 GIBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000043784019 821457788 /nfs/dbraw/zinc/45/77/88/821457788.db2.gz UYXHCFIYMGHWFB-OAQYLSRUSA-N 1 1 392.455 4.134 20 5 GIBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000180865991 821502448 /nfs/dbraw/zinc/50/24/48/821502448.db2.gz IWRZJBDNTPXBHV-UKRRQHHQSA-N 1 1 376.840 4.243 20 5 GIBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000182029571 822067667 /nfs/dbraw/zinc/06/76/67/822067667.db2.gz WGONCSVDDHAFDY-UHFFFAOYSA-N 1 1 399.454 4.475 20 5 GIBDMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000182029571 822067677 /nfs/dbraw/zinc/06/76/77/822067677.db2.gz WGONCSVDDHAFDY-UHFFFAOYSA-N 1 1 399.454 4.475 20 5 GIBDMO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000182104606 822095407 /nfs/dbraw/zinc/09/54/07/822095407.db2.gz NMPWAQDAPHUQFS-XHCCPWGMSA-N 1 1 384.457 4.064 20 5 GIBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c(Cl)c1 ZINC000182116677 822100619 /nfs/dbraw/zinc/10/06/19/822100619.db2.gz QWFICHXQEFVNLA-UHFFFAOYSA-N 1 1 399.838 4.073 20 5 GIBDMO C[N@@H+](Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1N)C1CCCCC1 ZINC000178159081 822336852 /nfs/dbraw/zinc/33/68/52/822336852.db2.gz KKXWKAZQAHZJRO-UHFFFAOYSA-N 1 1 382.464 4.194 20 5 GIBDMO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178643570 822398947 /nfs/dbraw/zinc/39/89/47/822398947.db2.gz YLCWXQKUCMIUHC-KSZLIROESA-N 1 1 383.492 4.055 20 5 GIBDMO COc1cc(Br)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000178653362 822399894 /nfs/dbraw/zinc/39/98/94/822399894.db2.gz ZCWCTPBBUUZXMD-NSHDSACASA-N 1 1 395.253 4.225 20 5 GIBDMO CCOc1ccccc1NC(=O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178684397 822402693 /nfs/dbraw/zinc/40/26/93/822402693.db2.gz STOVFISEOXWLAX-UHFFFAOYSA-N 1 1 391.855 4.108 20 5 GIBDMO CCOc1ccccc1NC(=O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178684397 822402695 /nfs/dbraw/zinc/40/26/95/822402695.db2.gz STOVFISEOXWLAX-UHFFFAOYSA-N 1 1 391.855 4.108 20 5 GIBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000178683730 822402776 /nfs/dbraw/zinc/40/27/76/822402776.db2.gz VWTOEUMOKZTBSL-DYESRHJHSA-N 1 1 381.476 4.308 20 5 GIBDMO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1-n1cccn1 ZINC000183167446 822434545 /nfs/dbraw/zinc/43/45/45/822434545.db2.gz OKXQIHZJCZECBP-HNNXBMFYSA-N 1 1 389.415 4.286 20 5 GIBDMO COc1ccccc1COC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000179757929 822544655 /nfs/dbraw/zinc/54/46/55/822544655.db2.gz DTQSSCOTVANBPJ-UHFFFAOYSA-N 1 1 390.867 4.438 20 5 GIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454940605 822560448 /nfs/dbraw/zinc/56/04/48/822560448.db2.gz IVVMPPBKGWEFLP-MRXNPFEDSA-N 1 1 396.491 4.197 20 5 GIBDMO COc1cc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1F ZINC000184301291 822610792 /nfs/dbraw/zinc/61/07/92/822610792.db2.gz NZFKZMGGQJSHHD-JTQLQIEISA-N 1 1 388.317 4.492 20 5 GIBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2cccnc2-n2cccn2)c2ccccc2)c1 ZINC000180085026 822612064 /nfs/dbraw/zinc/61/20/64/822612064.db2.gz WGOXVGPBNOZPRQ-OAQYLSRUSA-N 1 1 385.427 4.055 20 5 GIBDMO CCNC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180286653 822655701 /nfs/dbraw/zinc/65/57/01/822655701.db2.gz JXXHDEBMMMLVPW-JOCHJYFZSA-N 1 1 389.455 4.224 20 5 GIBDMO COc1cc(-c2nc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cs2)ccc1O ZINC000180441051 822682554 /nfs/dbraw/zinc/68/25/54/822682554.db2.gz YAKNWVDEBVTKAG-GFCCVEGCSA-N 1 1 385.445 4.283 20 5 GIBDMO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180448234 822684004 /nfs/dbraw/zinc/68/40/04/822684004.db2.gz KKEMRMPMUVGSIX-STQMWFEESA-N 1 1 395.415 4.221 20 5 GIBDMO Cc1c(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000174476218 822794983 /nfs/dbraw/zinc/79/49/83/822794983.db2.gz BPJBUGIKFJPVIR-INIZCTEOSA-N 1 1 382.464 4.032 20 5 GIBDMO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)c1cccc(OC)c1 ZINC000052706528 822807882 /nfs/dbraw/zinc/80/78/82/822807882.db2.gz KHHQHWLQBFQBCB-AWEZNQCLSA-N 1 1 382.420 4.237 20 5 GIBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)c1cccc(OC)c1 ZINC000052706528 822807886 /nfs/dbraw/zinc/80/78/86/822807886.db2.gz KHHQHWLQBFQBCB-AWEZNQCLSA-N 1 1 382.420 4.237 20 5 GIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)s1 ZINC000052936663 822816281 /nfs/dbraw/zinc/81/62/81/822816281.db2.gz FNULRGUPEVTSCU-UHFFFAOYSA-N 1 1 394.500 4.036 20 5 GIBDMO Cc1ccccc1OCCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000053722330 822846311 /nfs/dbraw/zinc/84/63/11/822846311.db2.gz IBAIOHZTQQIESF-INIZCTEOSA-N 1 1 396.447 4.415 20 5 GIBDMO Cc1ccccc1OCCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000053722330 822846316 /nfs/dbraw/zinc/84/63/16/822846316.db2.gz IBAIOHZTQQIESF-INIZCTEOSA-N 1 1 396.447 4.415 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3Cc4ccccc4C4(CC4)C3)o2)c1 ZINC000186172322 822857906 /nfs/dbraw/zinc/85/79/06/822857906.db2.gz BPTMYGFQNRVFRD-UHFFFAOYSA-N 1 1 375.428 4.340 20 5 GIBDMO COc1ccc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1[N+](=O)[O-] ZINC000054011307 822858695 /nfs/dbraw/zinc/85/86/95/822858695.db2.gz IZDGQCNUJVFVLV-UHFFFAOYSA-N 1 1 394.431 4.224 20 5 GIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000569058950 822875125 /nfs/dbraw/zinc/87/51/25/822875125.db2.gz VQYDRZOTHMHCMR-UXHICEINSA-N 1 1 388.471 4.101 20 5 GIBDMO O=c1cc(C[N@H+]2CCSC3(CCOCC3)C2)c2c(ccc3ccccc32)o1 ZINC000186809811 822959072 /nfs/dbraw/zinc/95/90/72/822959072.db2.gz GKJSFTDOMMMIPP-UHFFFAOYSA-N 1 1 381.497 4.044 20 5 GIBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](c3ccccc3C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000570247490 823018952 /nfs/dbraw/zinc/01/89/52/823018952.db2.gz COGALFXVTMXOFU-IAGOWNOFSA-N 1 1 397.475 4.118 20 5 GIBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(OC(F)(F)F)c1 ZINC000175755198 823032400 /nfs/dbraw/zinc/03/24/00/823032400.db2.gz UQEHLEPVRDIEPX-NSHDSACASA-N 1 1 398.337 4.211 20 5 GIBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570428031 823036734 /nfs/dbraw/zinc/03/67/34/823036734.db2.gz XYYIELKUFAQDDL-CZUORRHYSA-N 1 1 395.866 4.017 20 5 GIBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570428031 823036736 /nfs/dbraw/zinc/03/67/36/823036736.db2.gz XYYIELKUFAQDDL-CZUORRHYSA-N 1 1 395.866 4.017 20 5 GIBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000190197127 823549650 /nfs/dbraw/zinc/54/96/50/823549650.db2.gz RZUZTCCTXAWTHN-HNNXBMFYSA-N 1 1 387.402 4.142 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CCCO)c3ccccc3)cs2)c1 ZINC000124395031 823593099 /nfs/dbraw/zinc/59/30/99/823593099.db2.gz UHLDLXGUEPVLBL-LJQANCHMSA-N 1 1 383.473 4.322 20 5 GIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000124634320 823612984 /nfs/dbraw/zinc/61/29/84/823612984.db2.gz QQQPDULWICANSL-LJQANCHMSA-N 1 1 392.402 4.142 20 5 GIBDMO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000411986057 823618185 /nfs/dbraw/zinc/61/81/85/823618185.db2.gz PAVMPVZNLMCBEO-OAHLLOKOSA-N 1 1 396.534 4.029 20 5 GIBDMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000411986057 823618186 /nfs/dbraw/zinc/61/81/86/823618186.db2.gz PAVMPVZNLMCBEO-OAHLLOKOSA-N 1 1 396.534 4.029 20 5 GIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411991003 823618581 /nfs/dbraw/zinc/61/85/81/823618581.db2.gz WVTMSFOGEYZVCQ-KXBFYZLASA-N 1 1 394.431 4.249 20 5 GIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411991003 823618584 /nfs/dbraw/zinc/61/85/84/823618584.db2.gz WVTMSFOGEYZVCQ-KXBFYZLASA-N 1 1 394.431 4.249 20 5 GIBDMO CC[N@@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000412232501 823638149 /nfs/dbraw/zinc/63/81/49/823638149.db2.gz RSHFNHBQAFXRGW-FCHUYYIVSA-N 1 1 399.535 4.059 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000063619649 823683753 /nfs/dbraw/zinc/68/37/53/823683753.db2.gz REHSRPFGLFMSSK-FQEVSTJZSA-N 1 1 397.475 4.386 20 5 GIBDMO Cc1[nH+]ccn1CCCCSc1nc2cc3ccccc3cc2c(=O)n1C ZINC000412993716 823698894 /nfs/dbraw/zinc/69/88/94/823698894.db2.gz YNWMYEKRBIAEAG-UHFFFAOYSA-N 1 1 378.501 4.164 20 5 GIBDMO CSCC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1nnc2ccccn21 ZINC000164259193 823790299 /nfs/dbraw/zinc/79/02/99/823790299.db2.gz ZGGZJFJDJSBVTD-RHSMWYFYSA-N 1 1 385.493 4.091 20 5 GIBDMO CC(C)[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350575 823799222 /nfs/dbraw/zinc/79/92/22/823799222.db2.gz YJBQUYFHKFCCCN-UHFFFAOYSA-N 1 1 395.381 4.463 20 5 GIBDMO CC(C)[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350575 823799225 /nfs/dbraw/zinc/79/92/25/823799225.db2.gz YJBQUYFHKFCCCN-UHFFFAOYSA-N 1 1 395.381 4.463 20 5 GIBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000165466176 823849783 /nfs/dbraw/zinc/84/97/83/823849783.db2.gz ZMVFQGHBGSAGSQ-HZPDHXFCSA-N 1 1 380.448 4.241 20 5 GIBDMO COc1cc(C[N@H+]2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000575010555 823887174 /nfs/dbraw/zinc/88/71/74/823887174.db2.gz WPXJWCXRMGNRTE-ZDUSSCGKSA-N 1 1 388.386 4.167 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@]4(CCSC4)C3)s2)cc1 ZINC000575124964 823918256 /nfs/dbraw/zinc/91/82/56/823918256.db2.gz QDVDZKXQQALPBX-SFHVURJKSA-N 1 1 376.503 4.031 20 5 GIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2)C1 ZINC000170793901 823972718 /nfs/dbraw/zinc/97/27/18/823972718.db2.gz JLLGUDHDOBHVSL-CYBMUJFWSA-N 1 1 389.402 4.357 20 5 GIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000192483614 824008179 /nfs/dbraw/zinc/00/81/79/824008179.db2.gz ZITPRCCHNRWACC-INIZCTEOSA-N 1 1 381.476 4.065 20 5 GIBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000175831172 823050162 /nfs/dbraw/zinc/05/01/62/823050162.db2.gz GVTKXOPIWSORBT-SJLPKXTDSA-N 1 1 376.478 4.013 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000055855425 823054086 /nfs/dbraw/zinc/05/40/86/823054086.db2.gz FELZQIGKPHBTNG-QFIPXVFZSA-N 1 1 393.418 4.360 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(Cc4cccc(F)c4)CC3)o2)cc1 ZINC000120898111 823083940 /nfs/dbraw/zinc/08/39/40/823083940.db2.gz NBRJIAZNARKZLF-UHFFFAOYSA-N 1 1 396.422 4.239 20 5 GIBDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000121215289 823140265 /nfs/dbraw/zinc/14/02/65/823140265.db2.gz AUZFBEVQUILXBY-JXFKEZNVSA-N 1 1 382.464 4.112 20 5 GIBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176580013 823241199 /nfs/dbraw/zinc/24/11/99/823241199.db2.gz OMQHWHXJNMWGFB-ZBFHGGJFSA-N 1 1 387.867 4.031 20 5 GIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000571845099 823244397 /nfs/dbraw/zinc/24/43/97/823244397.db2.gz UMBIUNYDVVTSOB-QGZVFWFLSA-N 1 1 396.491 4.286 20 5 GIBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409670191 823279112 /nfs/dbraw/zinc/27/91/12/823279112.db2.gz QTRNDQBKEUGBGC-HNNXBMFYSA-N 1 1 377.448 4.060 20 5 GIBDMO C[C@H]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176721867 823276875 /nfs/dbraw/zinc/27/68/75/823276875.db2.gz OPHUTRDLRDTPQK-GOEBONIOSA-N 1 1 387.867 4.031 20 5 GIBDMO C[C@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176722688 823277138 /nfs/dbraw/zinc/27/71/38/823277138.db2.gz OPHUTRDLRDTPQK-HOCLYGCPSA-N 1 1 387.867 4.031 20 5 GIBDMO COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000007926763 817961044 /nfs/dbraw/zinc/96/10/44/817961044.db2.gz WNDWOTSKVOOTJU-HNNXBMFYSA-N 1 1 393.443 4.216 20 5 GIBDMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000007926763 817961050 /nfs/dbraw/zinc/96/10/50/817961050.db2.gz WNDWOTSKVOOTJU-HNNXBMFYSA-N 1 1 393.443 4.216 20 5 GIBDMO CCC[N@H+](CC1CCCCC1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000057821427 823337565 /nfs/dbraw/zinc/33/75/65/823337565.db2.gz USNYTCPGRONHTN-UHFFFAOYSA-N 1 1 384.480 4.068 20 5 GIBDMO CCC[N@@H+](CC1CCCCC1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000057821427 823337571 /nfs/dbraw/zinc/33/75/71/823337571.db2.gz USNYTCPGRONHTN-UHFFFAOYSA-N 1 1 384.480 4.068 20 5 GIBDMO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572678560 823381096 /nfs/dbraw/zinc/38/10/96/823381096.db2.gz XHHCFIIGVKRDBD-GOSISDBHSA-N 1 1 382.420 4.237 20 5 GIBDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572678560 823381104 /nfs/dbraw/zinc/38/11/04/823381104.db2.gz XHHCFIIGVKRDBD-GOSISDBHSA-N 1 1 382.420 4.237 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000026924728 820164997 /nfs/dbraw/zinc/16/49/97/820164997.db2.gz GKKUVMMQWADFRI-IBGZPJMESA-N 1 1 383.448 4.078 20 5 GIBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000029527671 820468897 /nfs/dbraw/zinc/46/88/97/820468897.db2.gz NNBXRFPPEFBRGR-UHFFFAOYSA-N 1 1 398.463 4.180 20 5 GIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000031004782 820720015 /nfs/dbraw/zinc/72/00/15/820720015.db2.gz RMWJZNAULZKJSL-LLVKDONJSA-N 1 1 382.247 4.361 20 5 GIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000031004782 820720018 /nfs/dbraw/zinc/72/00/18/820720018.db2.gz RMWJZNAULZKJSL-LLVKDONJSA-N 1 1 382.247 4.361 20 5 GIBDMO CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000032831950 821011994 /nfs/dbraw/zinc/01/19/94/821011994.db2.gz DENARQZKTLHNJF-UHFFFAOYSA-N 1 1 381.476 4.045 20 5 GIBDMO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[C@@H]1O ZINC000190051974 823530909 /nfs/dbraw/zinc/53/09/09/823530909.db2.gz YCZUSZSRYBIDCL-ACJLOTCBSA-N 1 1 376.840 4.243 20 5 GIBDMO CCOc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000060547797 823540906 /nfs/dbraw/zinc/54/09/06/823540906.db2.gz MQTVOPCCOMVKJL-MRXNPFEDSA-N 1 1 397.475 4.478 20 5 GIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000041816158 821233244 /nfs/dbraw/zinc/23/32/44/821233244.db2.gz BXPXAHCTSCGKNH-KRWDZBQOSA-N 1 1 393.896 4.003 20 5 GIBDMO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-n2cccn2)cc1 ZINC000180845275 821491340 /nfs/dbraw/zinc/49/13/40/821491340.db2.gz JGECOZAFHQOTPT-HNNXBMFYSA-N 1 1 389.415 4.286 20 5 GIBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000180870757 821504863 /nfs/dbraw/zinc/50/48/63/821504863.db2.gz IXDJVBWLPBIFBY-UKRRQHHQSA-N 1 1 376.840 4.243 20 5 GIBDMO Cn1cc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181014463 821594247 /nfs/dbraw/zinc/59/42/47/821594247.db2.gz UNJYEBRMIPCQBO-UHFFFAOYSA-N 1 1 390.365 4.045 20 5 GIBDMO Cn1cc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181014463 821594251 /nfs/dbraw/zinc/59/42/51/821594251.db2.gz UNJYEBRMIPCQBO-UHFFFAOYSA-N 1 1 390.365 4.045 20 5 GIBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(Br)cc1 ZINC000181123274 821647641 /nfs/dbraw/zinc/64/76/41/821647641.db2.gz UWPGKBXYODTJTQ-JTQLQIEISA-N 1 1 376.210 4.349 20 5 GIBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4nc5cc([N+](=O)[O-])ccc5o4)C3)nc2c1 ZINC000181150816 821665554 /nfs/dbraw/zinc/66/55/54/821665554.db2.gz HCFFBVTWWCWSPG-CQSZACIVSA-N 1 1 391.431 4.300 20 5 GIBDMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4nc5cc([N+](=O)[O-])ccc5o4)C3)[nH]c2c1 ZINC000181150816 821665563 /nfs/dbraw/zinc/66/55/63/821665563.db2.gz HCFFBVTWWCWSPG-CQSZACIVSA-N 1 1 391.431 4.300 20 5 GIBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4nc5cc([N+](=O)[O-])ccc5o4)C3)[nH]c2c1 ZINC000181150816 821665569 /nfs/dbraw/zinc/66/55/69/821665569.db2.gz HCFFBVTWWCWSPG-CQSZACIVSA-N 1 1 391.431 4.300 20 5 GIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181664136 821931210 /nfs/dbraw/zinc/93/12/10/821931210.db2.gz OUKMDQQGPOKWQB-CABCVRRESA-N 1 1 391.537 4.090 20 5 GIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181664095 821931504 /nfs/dbraw/zinc/93/15/04/821931504.db2.gz OUKMDQQGPOKWQB-HUUCEWRRSA-N 1 1 391.537 4.090 20 5 GIBDMO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(N2CCCC2)c1 ZINC000181859668 822018682 /nfs/dbraw/zinc/01/86/82/822018682.db2.gz AOJCAVTUURRKOG-OAHLLOKOSA-N 1 1 393.447 4.096 20 5 GIBDMO COc1ccc([C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(C)C)cc1 ZINC000182055963 822076791 /nfs/dbraw/zinc/07/67/91/822076791.db2.gz AOXKCMWWAFNASW-LJQANCHMSA-N 1 1 382.420 4.140 20 5 GIBDMO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000182104625 822095505 /nfs/dbraw/zinc/09/55/05/822095505.db2.gz NMPWAQDAPHUQFS-WINIVTDRSA-N 1 1 384.457 4.064 20 5 GIBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182208150 822147946 /nfs/dbraw/zinc/14/79/46/822147946.db2.gz AULYVBDRMFUSQS-CQSZACIVSA-N 1 1 399.944 4.111 20 5 GIBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(OC(F)(F)F)cc1 ZINC000182513217 822276874 /nfs/dbraw/zinc/27/68/74/822276874.db2.gz OHMMKDUOBYPZSK-JTQLQIEISA-N 1 1 381.310 4.485 20 5 GIBDMO Cn1ccnc1COc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178075628 822310307 /nfs/dbraw/zinc/31/03/07/822310307.db2.gz HSJGPEMSQTVXEU-UHFFFAOYSA-N 1 1 392.459 4.072 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000183349672 822462134 /nfs/dbraw/zinc/46/21/34/822462134.db2.gz OHEKSWVKXQUDFU-UHFFFAOYSA-N 1 1 392.377 4.415 20 5 GIBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1cccc(OC)c1 ZINC000046761826 822514461 /nfs/dbraw/zinc/51/44/61/822514461.db2.gz LPWXRTGZOKFYRI-CYBMUJFWSA-N 1 1 391.855 4.278 20 5 GIBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1cccc(OC)c1 ZINC000046761826 822514463 /nfs/dbraw/zinc/51/44/63/822514463.db2.gz LPWXRTGZOKFYRI-CYBMUJFWSA-N 1 1 391.855 4.278 20 5 GIBDMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccncc1 ZINC000183744239 822520845 /nfs/dbraw/zinc/52/08/45/822520845.db2.gz GMLUFRZTOYMATC-UHFFFAOYSA-N 1 1 399.454 4.475 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000183757787 822523268 /nfs/dbraw/zinc/52/32/68/822523268.db2.gz ZQPNZPJHARYECH-JTQLQIEISA-N 1 1 398.246 4.200 20 5 GIBDMO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000183847518 822535553 /nfs/dbraw/zinc/53/55/53/822535553.db2.gz AONSFGMWMQWGQX-CYBMUJFWSA-N 1 1 383.477 4.102 20 5 GIBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)cc1 ZINC000179909041 822575120 /nfs/dbraw/zinc/57/51/20/822575120.db2.gz MSBNSDMRIXMAAQ-UHFFFAOYSA-N 1 1 378.432 4.028 20 5 GIBDMO COc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000179968244 822587375 /nfs/dbraw/zinc/58/73/75/822587375.db2.gz KOVRSINKMACBPW-QFIPXVFZSA-N 1 1 378.428 4.491 20 5 GIBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184628696 822668180 /nfs/dbraw/zinc/66/81/80/822668180.db2.gz NGBYRTFRTJEIPR-BQFCYCMXSA-N 1 1 399.466 4.007 20 5 GIBDMO C[C@@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000180425587 822679462 /nfs/dbraw/zinc/67/94/62/822679462.db2.gz DCGGOVZCYZNZQU-CQSZACIVSA-N 1 1 380.423 4.259 20 5 GIBDMO C[C@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000180425570 822679540 /nfs/dbraw/zinc/67/95/40/822679540.db2.gz DCGGOVZCYZNZQU-AWEZNQCLSA-N 1 1 380.423 4.259 20 5 GIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)s1 ZINC000180455496 822685479 /nfs/dbraw/zinc/68/54/79/822685479.db2.gz JCYXOVKMEKZJFW-FUHWJXTLSA-N 1 1 376.503 4.030 20 5 GIBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000051536407 822765012 /nfs/dbraw/zinc/76/50/12/822765012.db2.gz AQLRDDUWFVVKAN-UHFFFAOYSA-N 1 1 382.247 4.015 20 5 GIBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000051536407 822765015 /nfs/dbraw/zinc/76/50/15/822765015.db2.gz AQLRDDUWFVVKAN-UHFFFAOYSA-N 1 1 382.247 4.015 20 5 GIBDMO COc1cc(C[NH2+]Cc2ncc(C)s2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000174571922 822806635 /nfs/dbraw/zinc/80/66/35/822806635.db2.gz LQGXJLKWQJMTHP-UHFFFAOYSA-N 1 1 399.472 4.237 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1csc2ccccc12 ZINC000052805477 822811477 /nfs/dbraw/zinc/81/14/77/822811477.db2.gz HEXCTAOXYXMWFK-CYBMUJFWSA-N 1 1 399.472 4.277 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1csc2ccccc12 ZINC000052805477 822811479 /nfs/dbraw/zinc/81/14/79/822811479.db2.gz HEXCTAOXYXMWFK-CYBMUJFWSA-N 1 1 399.472 4.277 20 5 GIBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C2)n1 ZINC000052861594 822813024 /nfs/dbraw/zinc/81/30/24/822813024.db2.gz JPYBORFYNWBKQA-INIZCTEOSA-N 1 1 375.428 4.017 20 5 GIBDMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000053794592 822848259 /nfs/dbraw/zinc/84/82/59/822848259.db2.gz OVLLMSMDVJRFSF-UHFFFAOYSA-N 1 1 399.476 4.161 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)cs2)c1 ZINC000186448129 822897283 /nfs/dbraw/zinc/89/72/83/822897283.db2.gz BBONJYVSOATMKA-OAQYLSRUSA-N 1 1 393.468 4.350 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)cs2)c1 ZINC000186448129 822897287 /nfs/dbraw/zinc/89/72/87/822897287.db2.gz BBONJYVSOATMKA-OAQYLSRUSA-N 1 1 393.468 4.350 20 5 GIBDMO CCOc1ccc([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000186641926 822928355 /nfs/dbraw/zinc/92/83/55/822928355.db2.gz KPDXJGNOSVLIEF-SPLOXXLWSA-N 1 1 398.438 4.306 20 5 GIBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000569614360 822944896 /nfs/dbraw/zinc/94/48/96/822944896.db2.gz JKXJFBXUJBJZKX-IRXDYDNUSA-N 1 1 393.438 4.034 20 5 GIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000569807513 822971739 /nfs/dbraw/zinc/97/17/39/822971739.db2.gz HWYZCHBKDFKQBW-NQIIRXRSSA-N 1 1 397.475 4.082 20 5 GIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000569807513 822971741 /nfs/dbraw/zinc/97/17/41/822971741.db2.gz HWYZCHBKDFKQBW-NQIIRXRSSA-N 1 1 397.475 4.082 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000411189581 823555691 /nfs/dbraw/zinc/55/56/91/823555691.db2.gz SVFUXRWMGQEJRL-LJQANCHMSA-N 1 1 383.448 4.078 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000411297386 823562890 /nfs/dbraw/zinc/56/28/90/823562890.db2.gz SZTJNVVEAHDNHE-KRWDZBQOSA-N 1 1 387.436 4.142 20 5 GIBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000461582235 823664490 /nfs/dbraw/zinc/66/44/90/823664490.db2.gz UAROPULRXJJQNE-UHFFFAOYSA-N 1 1 393.487 4.256 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](Cc1ccco1)Cc1ccco1 ZINC000063483221 823675523 /nfs/dbraw/zinc/67/55/23/823675523.db2.gz ZPGMPQMXOPXSHK-UHFFFAOYSA-N 1 1 383.404 4.120 20 5 GIBDMO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c2c1 ZINC000413276355 823743789 /nfs/dbraw/zinc/74/37/89/823743789.db2.gz BXKRPWXAACOJDX-MRXNPFEDSA-N 1 1 377.448 4.060 20 5 GIBDMO Cc1cc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461966201 823775347 /nfs/dbraw/zinc/77/53/47/823775347.db2.gz OHLONEULSNHNMI-ZDUSSCGKSA-N 1 1 382.386 4.115 20 5 GIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)c2c(c1)COCO2 ZINC000064249552 823780250 /nfs/dbraw/zinc/78/02/50/823780250.db2.gz YMASCDUHRFGADI-QGZVFWFLSA-N 1 1 388.851 4.322 20 5 GIBDMO CSCC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000164244236 823789356 /nfs/dbraw/zinc/78/93/56/823789356.db2.gz MTBFDVCTOYPKGE-GOEBONIOSA-N 1 1 385.493 4.091 20 5 GIBDMO Cc1ccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(Cl)c1 ZINC000064350550 823799206 /nfs/dbraw/zinc/79/92/06/823799206.db2.gz KVHXWDPNLDEKNU-UHFFFAOYSA-N 1 1 375.856 4.406 20 5 GIBDMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(Cl)c1 ZINC000064350550 823799212 /nfs/dbraw/zinc/79/92/12/823799212.db2.gz KVHXWDPNLDEKNU-UHFFFAOYSA-N 1 1 375.856 4.406 20 5 GIBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)nc2c1 ZINC000192096561 823859182 /nfs/dbraw/zinc/85/91/82/823859182.db2.gz DNCUGOBFHCJDIP-KBXCAEBGSA-N 1 1 391.786 4.148 20 5 GIBDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000126411508 823860294 /nfs/dbraw/zinc/86/02/94/823860294.db2.gz VPKQWTSZWPOATG-FQEVSTJZSA-N 1 1 382.416 4.029 20 5 GIBDMO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC000462367051 823943492 /nfs/dbraw/zinc/94/34/92/823943492.db2.gz BOPBJOYRBMPKAA-CYBMUJFWSA-N 1 1 377.391 4.055 20 5 GIBDMO O=[N+]([O-])c1cccc2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc21 ZINC001164624385 719074719 /nfs/dbraw/zinc/07/47/19/719074719.db2.gz LPRVWSOFJOTPJZ-CTNGQTDRSA-N 1 1 388.471 4.244 20 5 GIBDMO O=[N+]([O-])c1cccc2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc21 ZINC001164624387 719075190 /nfs/dbraw/zinc/07/51/90/719075190.db2.gz LPRVWSOFJOTPJZ-PZJWPPBQSA-N 1 1 388.471 4.244 20 5 GIBDMO c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2ccc3ccc4cccnc4c3n2)c1 ZINC001164730498 720356328 /nfs/dbraw/zinc/35/63/28/720356328.db2.gz ZTUAZIUJYYCRDA-LEWJYISDSA-N 1 1 381.483 4.031 20 5 GIBDMO O=[N+]([O-])c1cc(Cl)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164994548 722191929 /nfs/dbraw/zinc/19/19/29/722191929.db2.gz NUYUGZRCXLTIGN-LJQANCHMSA-N 1 1 390.846 4.027 20 5 GIBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000570747242 823080361 /nfs/dbraw/zinc/08/03/61/823080361.db2.gz NZKIKDXCLNLYAS-LJQANCHMSA-N 1 1 382.439 4.124 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](Cc3ccccc3)[C@H](CO)C3CC3)co2)cc1 ZINC000121043874 823107900 /nfs/dbraw/zinc/10/79/00/823107900.db2.gz UBPZVEVLYXNSKG-OAQYLSRUSA-N 1 1 393.443 4.023 20 5 GIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121299102 823158080 /nfs/dbraw/zinc/15/80/80/823158080.db2.gz DLAPHPLUEFBOAA-GDBMZVCRSA-N 1 1 396.422 4.410 20 5 GIBDMO CSc1cccc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000188180516 823199089 /nfs/dbraw/zinc/19/90/89/823199089.db2.gz XWCLMMYJFLZGFG-MRXNPFEDSA-N 1 1 399.516 4.053 20 5 GIBDMO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000571942019 823257867 /nfs/dbraw/zinc/25/78/67/823257867.db2.gz NANIHSHJFPZELU-ZNDGOPKYSA-N 1 1 393.487 4.010 20 5 GIBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459752650 823260543 /nfs/dbraw/zinc/26/05/43/823260543.db2.gz BXUWPNXEGAOFJH-HNNXBMFYSA-N 1 1 383.423 4.494 20 5 GIBDMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000122163802 823315338 /nfs/dbraw/zinc/31/53/38/823315338.db2.gz VMCDHAFMPHPVPX-AWEZNQCLSA-N 1 1 390.509 4.252 20 5 GIBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(Br)cc1 ZINC000176984939 823342664 /nfs/dbraw/zinc/34/26/64/823342664.db2.gz WFOLYTWTZWHUBC-UHFFFAOYSA-N 1 1 376.210 4.131 20 5 GIBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(Br)cc1 ZINC000176984939 823342671 /nfs/dbraw/zinc/34/26/71/823342671.db2.gz WFOLYTWTZWHUBC-UHFFFAOYSA-N 1 1 376.210 4.131 20 5 GIBDMO CCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1F ZINC000177178924 823392128 /nfs/dbraw/zinc/39/21/28/823392128.db2.gz ONUKAOKNGYPWMS-GOSISDBHSA-N 1 1 378.375 4.371 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000026223865 820071549 /nfs/dbraw/zinc/07/15/49/820071549.db2.gz JAVHOFXQOGZYKR-UHFFFAOYSA-N 1 1 399.491 4.362 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000026925085 820165045 /nfs/dbraw/zinc/16/50/45/820165045.db2.gz DEFGMJHYMWABRK-CQSZACIVSA-N 1 1 397.431 4.371 20 5 GIBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000029897796 820542866 /nfs/dbraw/zinc/54/28/66/820542866.db2.gz WGTZTLUNFARTML-MRXNPFEDSA-N 1 1 399.472 4.360 20 5 GIBDMO C[N@@H+](CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCCCC1 ZINC000031144832 820752168 /nfs/dbraw/zinc/75/21/68/820752168.db2.gz QNZYFPPLXPMFOS-UHFFFAOYSA-N 1 1 375.494 4.194 20 5 GIBDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000180787822 821457850 /nfs/dbraw/zinc/45/78/50/821457850.db2.gz MLEIRNHHMSJWSV-HNNXBMFYSA-N 1 1 394.855 4.136 20 5 GIBDMO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-n2cccn2)cc1 ZINC000180845295 821491439 /nfs/dbraw/zinc/49/14/39/821491439.db2.gz JGECOZAFHQOTPT-OAHLLOKOSA-N 1 1 389.415 4.286 20 5 GIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000044877268 821676516 /nfs/dbraw/zinc/67/65/16/821676516.db2.gz QVCBUQGSIRBFTM-LVMGUKCRSA-N 1 1 393.487 4.156 20 5 GIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000181468972 821840526 /nfs/dbraw/zinc/84/05/26/821840526.db2.gz CTAVNIDALVFGPQ-HNNXBMFYSA-N 1 1 379.526 4.042 20 5 GIBDMO CC[C@@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000182508768 822274653 /nfs/dbraw/zinc/27/46/53/822274653.db2.gz ROSYYUWCOPJJLC-GFCCVEGCSA-N 1 1 385.367 4.051 20 5 GIBDMO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178669779 822401371 /nfs/dbraw/zinc/40/13/71/822401371.db2.gz XZPSPHFZFYQDCZ-WZONZLPQSA-N 1 1 385.511 4.477 20 5 GIBDMO CN(c1ccccc1)C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000179215154 822452570 /nfs/dbraw/zinc/45/25/70/822452570.db2.gz WRVGWMLLQFXMKQ-UHFFFAOYSA-N 1 1 392.459 4.351 20 5 GIBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCCO1 ZINC000179398189 822476804 /nfs/dbraw/zinc/47/68/04/822476804.db2.gz XTBHBRMJGZVFOS-LBPRGKRZSA-N 1 1 395.253 4.228 20 5 GIBDMO Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000046714948 822508743 /nfs/dbraw/zinc/50/87/43/822508743.db2.gz BLUGNUNQDMEDKX-MRXNPFEDSA-N 1 1 381.476 4.065 20 5 GIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000179658243 822521970 /nfs/dbraw/zinc/52/19/70/822521970.db2.gz OQPLXNKOCVWETB-FQEVSTJZSA-N 1 1 395.503 4.114 20 5 GIBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)c(Cl)c1 ZINC000183807224 822530388 /nfs/dbraw/zinc/53/03/88/822530388.db2.gz QXKFVLWCGZBIBV-UHFFFAOYSA-N 1 1 378.766 4.206 20 5 GIBDMO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000184538062 822653581 /nfs/dbraw/zinc/65/35/81/822653581.db2.gz LHQKKLSXSIALLP-CQSZACIVSA-N 1 1 396.472 4.032 20 5 GIBDMO CCNC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180286635 822655623 /nfs/dbraw/zinc/65/56/23/822655623.db2.gz JXXHDEBMMMLVPW-QFIPXVFZSA-N 1 1 389.455 4.224 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCS[C@H]4COCC[C@@H]43)s2)cc1 ZINC000180453114 822685067 /nfs/dbraw/zinc/68/50/67/822685067.db2.gz LJQPETGVJCPLRC-WMZOPIPTSA-N 1 1 376.503 4.030 20 5 GIBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)nc2c1 ZINC000051120964 822746624 /nfs/dbraw/zinc/74/66/24/822746624.db2.gz WIOJVUPYCIXGMX-ZDUSSCGKSA-N 1 1 393.472 4.460 20 5 GIBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)nc2c1 ZINC000051120964 822746627 /nfs/dbraw/zinc/74/66/27/822746627.db2.gz WIOJVUPYCIXGMX-ZDUSSCGKSA-N 1 1 393.472 4.460 20 5 GIBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133517 822747676 /nfs/dbraw/zinc/74/76/76/822747676.db2.gz UKFHDPKXMAMLOG-LAUBAEHRSA-N 1 1 398.459 4.061 20 5 GIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000174474404 822794814 /nfs/dbraw/zinc/79/48/14/822794814.db2.gz LUXYECOFWKBPFO-IBGZPJMESA-N 1 1 396.491 4.279 20 5 GIBDMO O=[N+]([O-])c1cccnc1NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000052486838 822801085 /nfs/dbraw/zinc/80/10/85/822801085.db2.gz PEXNKLMTMMSCOY-UHFFFAOYSA-N 1 1 380.370 4.085 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000186184664 822858969 /nfs/dbraw/zinc/85/89/69/822858969.db2.gz LMAXJBWRTUMILW-SNVBAGLBSA-N 1 1 398.246 4.200 20 5 GIBDMO CCOc1ccc([C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000186641939 822928298 /nfs/dbraw/zinc/92/82/98/822928298.db2.gz KPDXJGNOSVLIEF-LHSJRXKWSA-N 1 1 398.438 4.306 20 5 GIBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000570247495 823018935 /nfs/dbraw/zinc/01/89/35/823018935.db2.gz COGALFXVTMXOFU-SJORKVTESA-N 1 1 397.475 4.118 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190190650 823548594 /nfs/dbraw/zinc/54/85/94/823548594.db2.gz KZBRHEALIRWHGF-OAHLLOKOSA-N 1 1 387.402 4.142 20 5 GIBDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000124215765 823578198 /nfs/dbraw/zinc/57/81/98/823578198.db2.gz YSULAVJFAXXUTB-NRFANRHFSA-N 1 1 392.459 4.341 20 5 GIBDMO COc1cc(C[N@H+]2CCSC3(CCC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000411873486 823611752 /nfs/dbraw/zinc/61/17/52/823611752.db2.gz XZKCNOHKOYYUSC-UHFFFAOYSA-N 1 1 388.436 4.066 20 5 GIBDMO Cn1cc(C[NH2+]Cc2csc(-c3ccco3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000124729951 823621497 /nfs/dbraw/zinc/62/14/97/823621497.db2.gz NMEZCDPTNCCVSX-UHFFFAOYSA-N 1 1 395.444 4.002 20 5 GIBDMO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000124858749 823631746 /nfs/dbraw/zinc/63/17/46/823631746.db2.gz ZMMADBBFDJMPBY-ZIAGYGMSSA-N 1 1 382.420 4.455 20 5 GIBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])cc3Cl)c2)CCO1 ZINC000063248338 823656757 /nfs/dbraw/zinc/65/67/57/823656757.db2.gz XAPCVJYFFSKFHW-AWEZNQCLSA-N 1 1 375.856 4.081 20 5 GIBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])cc3Cl)c2)CCO1 ZINC000063248338 823656759 /nfs/dbraw/zinc/65/67/59/823656759.db2.gz XAPCVJYFFSKFHW-AWEZNQCLSA-N 1 1 375.856 4.081 20 5 GIBDMO C[C@]1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000163361286 823704099 /nfs/dbraw/zinc/70/40/99/823704099.db2.gz KFBOCQNLDRLSBV-HXUWFJFHSA-N 1 1 387.867 4.033 20 5 GIBDMO CC[C@H]([NH2+][C@H](CCSC)c1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000164271759 823791552 /nfs/dbraw/zinc/79/15/52/823791552.db2.gz UOJBBPUDZDCAQR-DLBZAZTESA-N 1 1 385.493 4.173 20 5 GIBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000064349173 823798543 /nfs/dbraw/zinc/79/85/43/823798543.db2.gz ZOTUIIWYPCNNRU-CQSZACIVSA-N 1 1 397.431 4.371 20 5 GIBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000064349173 823798547 /nfs/dbraw/zinc/79/85/47/823798547.db2.gz ZOTUIIWYPCNNRU-CQSZACIVSA-N 1 1 397.431 4.371 20 5 GIBDMO Cc1ccc([C@H](NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C2CC2)cc1 ZINC000064350035 823798555 /nfs/dbraw/zinc/79/85/55/823798555.db2.gz WIXNSJMYRQWKHZ-QHCPKHFHSA-N 1 1 395.503 4.381 20 5 GIBDMO Cc1ccc([C@H](NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C2CC2)cc1 ZINC000064350035 823798560 /nfs/dbraw/zinc/79/85/60/823798560.db2.gz WIXNSJMYRQWKHZ-QHCPKHFHSA-N 1 1 395.503 4.381 20 5 GIBDMO COc1cccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000164375411 823799036 /nfs/dbraw/zinc/79/90/36/823799036.db2.gz YJCGQFYTSZOLMY-FQEVSTJZSA-N 1 1 383.448 4.078 20 5 GIBDMO CCc1ccc([C@@H](C)NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000064350338 823799043 /nfs/dbraw/zinc/79/90/43/823799043.db2.gz PYPHURKNVLDAFZ-QGZVFWFLSA-N 1 1 383.492 4.245 20 5 GIBDMO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000064350338 823799046 /nfs/dbraw/zinc/79/90/46/823799046.db2.gz PYPHURKNVLDAFZ-QGZVFWFLSA-N 1 1 383.492 4.245 20 5 GIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000462232150 823885496 /nfs/dbraw/zinc/88/54/96/823885496.db2.gz MTBLXQYDGSFNJP-QGZVFWFLSA-N 1 1 399.491 4.387 20 5 GIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000192483628 824008062 /nfs/dbraw/zinc/00/80/62/824008062.db2.gz ZITPRCCHNRWACC-MRXNPFEDSA-N 1 1 381.476 4.065 20 5 GIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164628847 719088085 /nfs/dbraw/zinc/08/80/85/719088085.db2.gz OZRJUPGEBXPOGF-SIKLNZKXSA-N 1 1 388.471 4.244 20 5 GIBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995291 722192122 /nfs/dbraw/zinc/19/21/22/722192122.db2.gz UAHUKXOZEAXLDC-IBGZPJMESA-N 1 1 390.846 4.027 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000055855430 823054330 /nfs/dbraw/zinc/05/43/30/823054330.db2.gz GGYHOORYZLYKLU-JOCHJYFZSA-N 1 1 393.418 4.360 20 5 GIBDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)n2C ZINC000187586719 823093226 /nfs/dbraw/zinc/09/32/26/823093226.db2.gz SSGGULCHSMCUJY-UHFFFAOYSA-N 1 1 376.416 4.340 20 5 GIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000571573026 823202474 /nfs/dbraw/zinc/20/24/74/823202474.db2.gz KIRNKAYVKGRAAQ-VQIMIIECSA-N 1 1 396.491 4.332 20 5 GIBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459680155 823249196 /nfs/dbraw/zinc/24/91/96/823249196.db2.gz UYZVMRIAVLGKQQ-OALUTQOASA-N 1 1 378.432 4.413 20 5 GIBDMO Cc1cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000409660756 823276426 /nfs/dbraw/zinc/27/64/26/823276426.db2.gz UARAGPFIUNEPLO-INIZCTEOSA-N 1 1 391.475 4.368 20 5 GIBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176723316 823277543 /nfs/dbraw/zinc/27/75/43/823277543.db2.gz QHDQUAHPFXGEGE-GDBMZVCRSA-N 1 1 387.867 4.031 20 5 GIBDMO COc1ccc2cc(C[N@H+](C)Cc3cc([N+](=O)[O-])cc4c3OCOC4)ccc2c1 ZINC000007805675 817921200 /nfs/dbraw/zinc/92/12/00/817921200.db2.gz WSFVBDBMEIUSKU-UHFFFAOYSA-N 1 1 394.427 4.255 20 5 GIBDMO COc1ccc2cc(C[N@@H+](C)Cc3cc([N+](=O)[O-])cc4c3OCOC4)ccc2c1 ZINC000007805675 817921206 /nfs/dbraw/zinc/92/12/06/817921206.db2.gz WSFVBDBMEIUSKU-UHFFFAOYSA-N 1 1 394.427 4.255 20 5 GIBDMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3c(C)cccc3[N+](=O)[O-])ccc2c1 ZINC000007926684 817960691 /nfs/dbraw/zinc/96/06/91/817960691.db2.gz XVSUOWDIMZVOJA-UHFFFAOYSA-N 1 1 393.443 4.136 20 5 GIBDMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3c(C)cccc3[N+](=O)[O-])ccc2c1 ZINC000007926684 817960693 /nfs/dbraw/zinc/96/06/93/817960693.db2.gz XVSUOWDIMZVOJA-UHFFFAOYSA-N 1 1 393.443 4.136 20 5 GIBDMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000122090166 823304894 /nfs/dbraw/zinc/30/48/94/823304894.db2.gz HCELGWAPTNNOCO-AWEZNQCLSA-N 1 1 390.509 4.252 20 5 GIBDMO CC(C)(C)[C@@H]([NH2+]Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1ccccc1 ZINC000057821293 823337495 /nfs/dbraw/zinc/33/74/95/823337495.db2.gz GIOZPHXCXIBLFA-NRFANRHFSA-N 1 1 392.459 4.153 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000057874083 823343720 /nfs/dbraw/zinc/34/37/20/823343720.db2.gz YGOIFTCUAXPFAG-NSHDSACASA-N 1 1 382.247 4.499 20 5 GIBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000572548568 823359173 /nfs/dbraw/zinc/35/91/73/823359173.db2.gz NDKKVHXUKAMKFN-KRWDZBQOSA-N 1 1 395.438 4.224 20 5 GIBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c2ncccc12 ZINC000024058724 819017073 /nfs/dbraw/zinc/01/70/73/819017073.db2.gz SJGHXONTEFBYCU-UHFFFAOYSA-N 1 1 382.851 4.119 20 5 GIBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000177402570 823454367 /nfs/dbraw/zinc/45/43/67/823454367.db2.gz IIUAZSZSFHJIBL-IAGOWNOFSA-N 1 1 388.468 4.060 20 5 GIBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000027208347 820209574 /nfs/dbraw/zinc/20/95/74/820209574.db2.gz WPSMLCBADVXXFV-GOSISDBHSA-N 1 1 389.455 4.196 20 5 GIBDMO COc1cc(C[N@H+](C)[C@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000029810864 820522841 /nfs/dbraw/zinc/52/28/41/820522841.db2.gz UGTNRLVLXSOGQZ-HNNXBMFYSA-N 1 1 378.375 4.324 20 5 GIBDMO COc1cc(C[N@@H+](C)[C@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000029810864 820522844 /nfs/dbraw/zinc/52/28/44/820522844.db2.gz UGTNRLVLXSOGQZ-HNNXBMFYSA-N 1 1 378.375 4.324 20 5 GIBDMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031565776 820827481 /nfs/dbraw/zinc/82/74/81/820827481.db2.gz RVSODCIBUJFUSW-QGZVFWFLSA-N 1 1 395.484 4.204 20 5 GIBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031565776 820827488 /nfs/dbraw/zinc/82/74/88/820827488.db2.gz RVSODCIBUJFUSW-QGZVFWFLSA-N 1 1 395.484 4.204 20 5 GIBDMO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000177740464 823518980 /nfs/dbraw/zinc/51/89/80/823518980.db2.gz RRPCMSSPDTZGJZ-DLBZAZTESA-N 1 1 388.468 4.060 20 5 GIBDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000177740464 823518981 /nfs/dbraw/zinc/51/89/81/823518981.db2.gz RRPCMSSPDTZGJZ-DLBZAZTESA-N 1 1 388.468 4.060 20 5 GIBDMO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000177740504 823519018 /nfs/dbraw/zinc/51/90/18/823519018.db2.gz RRPCMSSPDTZGJZ-SJORKVTESA-N 1 1 388.468 4.060 20 5 GIBDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000177740504 823519020 /nfs/dbraw/zinc/51/90/20/823519020.db2.gz RRPCMSSPDTZGJZ-SJORKVTESA-N 1 1 388.468 4.060 20 5 GIBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180862266 821500492 /nfs/dbraw/zinc/50/04/92/821500492.db2.gz WYERUOCTMALSDG-CHWSQXEVSA-N 1 1 380.876 4.023 20 5 GIBDMO CCc1ccc(C2=CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000180905483 821528436 /nfs/dbraw/zinc/52/84/36/821528436.db2.gz CGSXLLLFLMLPNZ-UHFFFAOYSA-N 1 1 390.443 4.497 20 5 GIBDMO CCc1ccc(C2=CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000180905483 821528441 /nfs/dbraw/zinc/52/84/41/821528441.db2.gz CGSXLLLFLMLPNZ-UHFFFAOYSA-N 1 1 390.443 4.497 20 5 GIBDMO C[S@](=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180932460 821544974 /nfs/dbraw/zinc/54/49/74/821544974.db2.gz FFEBURJKXPXUIA-ZBLYBZFDSA-N 1 1 380.469 4.211 20 5 GIBDMO Cn1cc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000180987700 821576586 /nfs/dbraw/zinc/57/65/86/821576586.db2.gz RZDVTGLVHGAQDT-QGZVFWFLSA-N 1 1 390.365 4.226 20 5 GIBDMO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[nH+]c1 ZINC000181486882 821847969 /nfs/dbraw/zinc/84/79/69/821847969.db2.gz ZGLVTAKIHMXDMA-UHFFFAOYSA-N 1 1 388.493 4.031 20 5 GIBDMO COc1cc(C[N@@H+](C)Cc2cccnc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000182029458 822067397 /nfs/dbraw/zinc/06/73/97/822067397.db2.gz KQCGFQDWDYBMEO-UHFFFAOYSA-N 1 1 393.443 4.209 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000182825862 822373761 /nfs/dbraw/zinc/37/37/61/822373761.db2.gz IPCSXLFPPNXKJW-QZTJIDSGSA-N 1 1 381.476 4.106 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000182825878 822373835 /nfs/dbraw/zinc/37/38/35/822373835.db2.gz IPCSXLFPPNXKJW-ZWKOTPCHSA-N 1 1 381.476 4.106 20 5 GIBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000045622790 822401115 /nfs/dbraw/zinc/40/11/15/822401115.db2.gz VGZOYEUHOZZZGS-UHFFFAOYSA-N 1 1 393.447 4.285 20 5 GIBDMO Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000046714946 822508717 /nfs/dbraw/zinc/50/87/17/822508717.db2.gz BLUGNUNQDMEDKX-INIZCTEOSA-N 1 1 381.476 4.065 20 5 GIBDMO COc1ccccc1COC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000179760718 822545371 /nfs/dbraw/zinc/54/53/71/822545371.db2.gz YFDUAEZZFLIIPK-UHFFFAOYSA-N 1 1 390.867 4.438 20 5 GIBDMO CCOc1cccc2cc([C@H](C)[NH2+]Cc3cc([N+](=O)[O-])cc4c3OCOC4)oc21 ZINC000180358825 822669866 /nfs/dbraw/zinc/66/98/66/822669866.db2.gz RRSQYDOHWUDMMN-ZDUSSCGKSA-N 1 1 398.415 4.457 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180561699 822702930 /nfs/dbraw/zinc/70/29/30/822702930.db2.gz ICOKNEREAMQWSM-INIZCTEOSA-N 1 1 399.344 4.264 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184881920 822706414 /nfs/dbraw/zinc/70/64/14/822706414.db2.gz UFKXCQPLRQNXTH-HNNXBMFYSA-N 1 1 394.431 4.238 20 5 GIBDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000185440415 822784217 /nfs/dbraw/zinc/78/42/17/822784217.db2.gz LNLNTWIWDIEPRG-OAHLLOKOSA-N 1 1 398.488 4.190 20 5 GIBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 ZINC000174407051 822786084 /nfs/dbraw/zinc/78/60/84/822786084.db2.gz QUWILUSNRKHYCQ-SFHVURJKSA-N 1 1 376.840 4.096 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1csc2ccccc12 ZINC000052806029 822811471 /nfs/dbraw/zinc/81/14/71/822811471.db2.gz BBTNOYKUBOGLJS-UHFFFAOYSA-N 1 1 399.472 4.279 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000053279540 822828822 /nfs/dbraw/zinc/82/88/22/822828822.db2.gz MKKXHQCFZMYJIG-LJQANCHMSA-N 1 1 383.448 4.078 20 5 GIBDMO CC[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C ZINC000569516620 822933223 /nfs/dbraw/zinc/93/32/23/822933223.db2.gz SGUZZHLDNWBEDX-PZJWPPBQSA-N 1 1 394.475 4.173 20 5 GIBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000175415394 822963506 /nfs/dbraw/zinc/96/35/06/822963506.db2.gz YPAOXOOXOKVQBP-UWVAXJGDSA-N 1 1 396.491 4.008 20 5 GIBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000458214296 822969727 /nfs/dbraw/zinc/96/97/27/822969727.db2.gz MLFWDQFUWWUOHZ-INIZCTEOSA-N 1 1 399.516 4.208 20 5 GIBDMO CC(C)c1ccc(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000570418556 823035156 /nfs/dbraw/zinc/03/51/56/823035156.db2.gz DLVZTEARMBHXOS-OAQYLSRUSA-N 1 1 378.476 4.373 20 5 GIBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570428032 823036662 /nfs/dbraw/zinc/03/66/62/823036662.db2.gz XYYIELKUFAQDDL-XJKSGUPXSA-N 1 1 395.866 4.017 20 5 GIBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570428032 823036668 /nfs/dbraw/zinc/03/66/68/823036668.db2.gz XYYIELKUFAQDDL-XJKSGUPXSA-N 1 1 395.866 4.017 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000411725243 823600389 /nfs/dbraw/zinc/60/03/89/823600389.db2.gz NPWKOBKGDXYRGK-DNVCBOLYSA-N 1 1 383.448 4.015 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000412185202 823633813 /nfs/dbraw/zinc/63/38/13/823633813.db2.gz XOGNTJAGXAACJP-PUCZYUMASA-N 1 1 390.443 4.070 20 5 GIBDMO CCOc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000063483159 823675515 /nfs/dbraw/zinc/67/55/15/823675515.db2.gz LZKWIOXAMVNJDO-NRFANRHFSA-N 1 1 397.475 4.468 20 5 GIBDMO CSCC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1nnc2ccccn21 ZINC000164258947 823790484 /nfs/dbraw/zinc/79/04/84/823790484.db2.gz ZGGZJFJDJSBVTD-PBHICJAKSA-N 1 1 385.493 4.091 20 5 GIBDMO CC(C)[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350109 823798403 /nfs/dbraw/zinc/79/84/03/823798403.db2.gz CPFMLPWBJGVJFJ-MRXNPFEDSA-N 1 1 387.455 4.164 20 5 GIBDMO CC(C)[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350109 823798409 /nfs/dbraw/zinc/79/84/09/823798409.db2.gz CPFMLPWBJGVJFJ-MRXNPFEDSA-N 1 1 387.455 4.164 20 5 GIBDMO CC(C)[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350333 823798570 /nfs/dbraw/zinc/79/85/70/823798570.db2.gz INORGCYSUMEGAS-OAHLLOKOSA-N 1 1 389.883 4.336 20 5 GIBDMO CC(C)[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350333 823798574 /nfs/dbraw/zinc/79/85/74/823798574.db2.gz INORGCYSUMEGAS-OAHLLOKOSA-N 1 1 389.883 4.336 20 5 GIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000574804653 823832224 /nfs/dbraw/zinc/83/22/24/823832224.db2.gz OJNWCWBEBSQZTD-GOSISDBHSA-N 1 1 381.432 4.120 20 5 GIBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cccc3ccccc32)c1 ZINC000064637302 823855822 /nfs/dbraw/zinc/85/58/22/823855822.db2.gz NFVYODZAAPHIDL-CVDCTZTESA-N 1 1 392.455 4.325 20 5 GIBDMO COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575002022 823883961 /nfs/dbraw/zinc/88/39/61/823883961.db2.gz VGOTXWSFDQNHFO-CQSZACIVSA-N 1 1 382.338 4.279 20 5 GIBDMO NC(=O)c1ccc(C[N@H+](Cc2ccccc2Cl)C2CCCC2)c([N+](=O)[O-])c1 ZINC000064807748 823889323 /nfs/dbraw/zinc/88/93/23/823889323.db2.gz LXOKQXPLQCMCSW-UHFFFAOYSA-N 1 1 387.867 4.292 20 5 GIBDMO NC(=O)c1ccc(C[N@@H+](Cc2ccccc2Cl)C2CCCC2)c([N+](=O)[O-])c1 ZINC000064807748 823889330 /nfs/dbraw/zinc/88/93/30/823889330.db2.gz LXOKQXPLQCMCSW-UHFFFAOYSA-N 1 1 387.867 4.292 20 5 GIBDMO CCOc1ccc(NC(=O)C[N@H+](Cc2ccc(C)s2)C(C)C)c([N+](=O)[O-])c1 ZINC000065162191 823955140 /nfs/dbraw/zinc/95/51/40/823955140.db2.gz YLTSAXLZHARZPK-UHFFFAOYSA-N 1 1 391.493 4.213 20 5 GIBDMO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccc(C)s2)C(C)C)c([N+](=O)[O-])c1 ZINC000065162191 823955148 /nfs/dbraw/zinc/95/51/48/823955148.db2.gz YLTSAXLZHARZPK-UHFFFAOYSA-N 1 1 391.493 4.213 20 5 GIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000462435052 823974138 /nfs/dbraw/zinc/97/41/38/823974138.db2.gz DHWIUJOVVMLMQV-GHTZIAJQSA-N 1 1 393.487 4.175 20 5 GIBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1COc2cc(F)c(Br)cc21 ZINC000571178749 823144519 /nfs/dbraw/zinc/14/45/19/823144519.db2.gz OKIOLDSPCSXXOJ-GJZGRUSLSA-N 1 1 393.212 4.207 20 5 GIBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)c(Cl)c1 ZINC000571222448 823151241 /nfs/dbraw/zinc/15/12/41/823151241.db2.gz FJLSXSLTQKSUJU-SAABIXHNSA-N 1 1 390.867 4.260 20 5 GIBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)c(Cl)c1 ZINC000571222448 823151243 /nfs/dbraw/zinc/15/12/43/823151243.db2.gz FJLSXSLTQKSUJU-SAABIXHNSA-N 1 1 390.867 4.260 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000176189549 823148445 /nfs/dbraw/zinc/14/84/45/823148445.db2.gz CYSBBRTWFNQUJB-LBPRGKRZSA-N 1 1 384.823 4.233 20 5 GIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+](CCCO)Cc2ccccn2)s1 ZINC000571840896 823243394 /nfs/dbraw/zinc/24/33/94/823243394.db2.gz ALMWAPDOFITHDF-UHFFFAOYSA-N 1 1 383.473 4.103 20 5 GIBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000014932756 818277640 /nfs/dbraw/zinc/27/76/40/818277640.db2.gz TWVBCUYPSCCHRN-HNNXBMFYSA-N 1 1 393.443 4.216 20 5 GIBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000014932756 818277645 /nfs/dbraw/zinc/27/76/45/818277645.db2.gz TWVBCUYPSCCHRN-HNNXBMFYSA-N 1 1 393.443 4.216 20 5 GIBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1cccc(Cl)c1 ZINC000016632048 818461214 /nfs/dbraw/zinc/46/12/14/818461214.db2.gz QIFJXTWPGTWBFX-LLVKDONJSA-N 1 1 382.247 4.361 20 5 GIBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000016632048 818461220 /nfs/dbraw/zinc/46/12/20/818461220.db2.gz QIFJXTWPGTWBFX-LLVKDONJSA-N 1 1 382.247 4.361 20 5 GIBDMO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572678561 823381021 /nfs/dbraw/zinc/38/10/21/823381021.db2.gz XHHCFIIGVKRDBD-SFHVURJKSA-N 1 1 382.420 4.237 20 5 GIBDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572678561 823381027 /nfs/dbraw/zinc/38/10/27/823381027.db2.gz XHHCFIIGVKRDBD-SFHVURJKSA-N 1 1 382.420 4.237 20 5 GIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000058520693 823403301 /nfs/dbraw/zinc/40/33/01/823403301.db2.gz BGSXHLCRKAZBMT-MRXNPFEDSA-N 1 1 382.464 4.291 20 5 GIBDMO COc1cc(C[N@H+](Cc2ccccc2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000025222497 819945763 /nfs/dbraw/zinc/94/57/63/819945763.db2.gz QEVCISLXALDFQJ-UHFFFAOYSA-N 1 1 378.375 4.369 20 5 GIBDMO COc1cc(C[N@@H+](Cc2ccccc2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000025222497 819945767 /nfs/dbraw/zinc/94/57/67/819945767.db2.gz QEVCISLXALDFQJ-UHFFFAOYSA-N 1 1 378.375 4.369 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000026225513 820071327 /nfs/dbraw/zinc/07/13/27/820071327.db2.gz IVDOEFIQPRUNRX-UHFFFAOYSA-N 1 1 379.819 4.156 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1c(F)cccc1Cl ZINC000026225513 820071335 /nfs/dbraw/zinc/07/13/35/820071335.db2.gz IVDOEFIQPRUNRX-UHFFFAOYSA-N 1 1 379.819 4.156 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000026225770 820071624 /nfs/dbraw/zinc/07/16/24/820071624.db2.gz XNZQXYBYFYHOSQ-UHFFFAOYSA-N 1 1 395.381 4.383 20 5 GIBDMO COc1cc(C[NH2+]Cc2cncc(C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000123051697 823453928 /nfs/dbraw/zinc/45/39/28/823453928.db2.gz OTWAYXJFOLUERY-UHFFFAOYSA-N 1 1 393.443 4.176 20 5 GIBDMO COc1ccc(Cl)cc1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000027739529 820281433 /nfs/dbraw/zinc/28/14/33/820281433.db2.gz RNIPNJJSQVYCRA-UHFFFAOYSA-N 1 1 391.855 4.026 20 5 GIBDMO Cc1cccc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000058949259 823474334 /nfs/dbraw/zinc/47/43/34/823474334.db2.gz JHMRYFXTHDAUBN-MRXNPFEDSA-N 1 1 381.476 4.065 20 5 GIBDMO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031565778 820826968 /nfs/dbraw/zinc/82/69/68/820826968.db2.gz RVSODCIBUJFUSW-KRWDZBQOSA-N 1 1 395.484 4.204 20 5 GIBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031565778 820826977 /nfs/dbraw/zinc/82/69/77/820826977.db2.gz RVSODCIBUJFUSW-KRWDZBQOSA-N 1 1 395.484 4.204 20 5 GIBDMO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000177740492 823518968 /nfs/dbraw/zinc/51/89/68/823518968.db2.gz RRPCMSSPDTZGJZ-IAGOWNOFSA-N 1 1 388.468 4.060 20 5 GIBDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000177740492 823518971 /nfs/dbraw/zinc/51/89/71/823518971.db2.gz RRPCMSSPDTZGJZ-IAGOWNOFSA-N 1 1 388.468 4.060 20 5 GIBDMO CCc1nn(C)c(CC)c1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181017290 821595366 /nfs/dbraw/zinc/59/53/66/821595366.db2.gz XXUSDAVJNHARAB-QFIPXVFZSA-N 1 1 378.476 4.332 20 5 GIBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000181689895 821945531 /nfs/dbraw/zinc/94/55/31/821945531.db2.gz XNOBTZKBZHTESF-INIZCTEOSA-N 1 1 393.553 4.193 20 5 GIBDMO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178669819 822401399 /nfs/dbraw/zinc/40/13/99/822401399.db2.gz XZPSPHFZFYQDCZ-MBSDFSHPSA-N 1 1 385.511 4.477 20 5 GIBDMO CC[C@H]([NH2+][C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000178676402 822401976 /nfs/dbraw/zinc/40/19/76/822401976.db2.gz GSOFDUKAPILDBP-ABAIWWIYSA-N 1 1 386.477 4.312 20 5 GIBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000183310793 822457186 /nfs/dbraw/zinc/45/71/86/822457186.db2.gz ZCDXXCGNRKDLFE-UHFFFAOYSA-N 1 1 395.503 4.420 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCCN(c4nccs4)CC3)o2)c1 ZINC000179609091 822512130 /nfs/dbraw/zinc/51/21/30/822512130.db2.gz SDMUXRSUKNFPFJ-UHFFFAOYSA-N 1 1 384.461 4.024 20 5 GIBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(C(F)(F)F)c1 ZINC000179692921 822528733 /nfs/dbraw/zinc/52/87/33/822528733.db2.gz MVGKJNYZWOVWQK-LLVKDONJSA-N 1 1 382.338 4.331 20 5 GIBDMO COc1ccccc1COC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000179754536 822543574 /nfs/dbraw/zinc/54/35/74/822543574.db2.gz VXNRFFQRJZNCKZ-UHFFFAOYSA-N 1 1 390.867 4.438 20 5 GIBDMO CCOc1ccc([C@H](C)[NH2+][C@@H](COC)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000180238327 822646034 /nfs/dbraw/zinc/64/60/34/822646034.db2.gz LABMGHQNUPIUPG-SJCJKPOMSA-N 1 1 380.391 4.310 20 5 GIBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000180413182 822677726 /nfs/dbraw/zinc/67/77/26/822677726.db2.gz ZLOUOXKLVYYZKN-OAHLLOKOSA-N 1 1 377.238 4.361 20 5 GIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000180508077 822693347 /nfs/dbraw/zinc/69/33/47/822693347.db2.gz MDZDWPRTOJMQLU-UKRRQHHQSA-N 1 1 398.431 4.346 20 5 GIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000180508077 822693348 /nfs/dbraw/zinc/69/33/48/822693348.db2.gz MDZDWPRTOJMQLU-UKRRQHHQSA-N 1 1 398.431 4.346 20 5 GIBDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000180618960 822713881 /nfs/dbraw/zinc/71/38/81/822713881.db2.gz ZSDNBLDSDJWEEU-CQSZACIVSA-N 1 1 397.401 4.166 20 5 GIBDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000180618960 822713883 /nfs/dbraw/zinc/71/38/83/822713883.db2.gz ZSDNBLDSDJWEEU-CQSZACIVSA-N 1 1 397.401 4.166 20 5 GIBDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000185440399 822784230 /nfs/dbraw/zinc/78/42/30/822784230.db2.gz LNLNTWIWDIEPRG-HNNXBMFYSA-N 1 1 398.488 4.190 20 5 GIBDMO CC(=O)c1ccc(NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052314560 822795917 /nfs/dbraw/zinc/79/59/17/822795917.db2.gz DSLKAAIHXSUNSI-IYBDPMFKSA-N 1 1 397.475 4.019 20 5 GIBDMO C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686557 822810196 /nfs/dbraw/zinc/81/01/96/822810196.db2.gz JIHKDAFXMAGPNO-FUHWJXTLSA-N 1 1 398.507 4.035 20 5 GIBDMO C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686557 822810198 /nfs/dbraw/zinc/81/01/98/822810198.db2.gz JIHKDAFXMAGPNO-FUHWJXTLSA-N 1 1 398.507 4.035 20 5 GIBDMO COc1ccc(C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C2CC2)cc1 ZINC000053097831 822821679 /nfs/dbraw/zinc/82/16/79/822821679.db2.gz KROQAMRGKQNLHL-OAHLLOKOSA-N 1 1 398.459 4.271 20 5 GIBDMO Cc1csc(C2([NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCCC2)n1 ZINC000175018741 822868249 /nfs/dbraw/zinc/86/82/49/822868249.db2.gz DCDLGZMLHKYTAE-UHFFFAOYSA-N 1 1 394.884 4.011 20 5 GIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000054355288 822877924 /nfs/dbraw/zinc/87/79/24/822877924.db2.gz SSICTZOEIGNTQL-HIFRSBDPSA-N 1 1 388.855 4.205 20 5 GIBDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000175122937 822886914 /nfs/dbraw/zinc/88/69/14/822886914.db2.gz NOFZIXNQHTYXJH-IBGZPJMESA-N 1 1 380.448 4.358 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)cs2)c1 ZINC000186448147 822897297 /nfs/dbraw/zinc/89/72/97/822897297.db2.gz BBONJYVSOATMKA-NRFANRHFSA-N 1 1 393.468 4.350 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)cs2)c1 ZINC000186448147 822897299 /nfs/dbraw/zinc/89/72/99/822897299.db2.gz BBONJYVSOATMKA-NRFANRHFSA-N 1 1 393.468 4.350 20 5 GIBDMO CN(C)c1cc(Cl)cc(Cl)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000569416044 822919763 /nfs/dbraw/zinc/91/97/63/822919763.db2.gz IIBTUKCMXLAZKO-UHFFFAOYSA-N 1 1 398.294 4.001 20 5 GIBDMO Cc1cc(C)c2c(c1)C[N@H+]([C@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000186703954 822941075 /nfs/dbraw/zinc/94/10/75/822941075.db2.gz OKUJRMLVZHMFGJ-OAHLLOKOSA-N 1 1 378.432 4.381 20 5 GIBDMO Cc1cc(C)c2c(c1)C[N@@H+]([C@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000186703954 822941078 /nfs/dbraw/zinc/94/10/78/822941078.db2.gz OKUJRMLVZHMFGJ-OAHLLOKOSA-N 1 1 378.432 4.381 20 5 GIBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000570247483 823018894 /nfs/dbraw/zinc/01/88/94/823018894.db2.gz COGALFXVTMXOFU-DLBZAZTESA-N 1 1 397.475 4.118 20 5 GIBDMO O=[N+]([O-])c1cc(C[NH2+]C2CCN(C3CC3)CC2)ccc1Oc1ccc(F)cc1 ZINC000123952408 823554767 /nfs/dbraw/zinc/55/47/67/823554767.db2.gz YKIAVIARHWEBKA-UHFFFAOYSA-N 1 1 385.439 4.243 20 5 GIBDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411318264 823564306 /nfs/dbraw/zinc/56/43/06/823564306.db2.gz CAWGMMQWBXLWIZ-CYBMUJFWSA-N 1 1 384.461 4.226 20 5 GIBDMO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461388141 823627871 /nfs/dbraw/zinc/62/78/71/823627871.db2.gz ZLCJUIIUMFEEHA-IBGZPJMESA-N 1 1 392.459 4.351 20 5 GIBDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461388141 823627872 /nfs/dbraw/zinc/62/78/72/823627872.db2.gz ZLCJUIIUMFEEHA-IBGZPJMESA-N 1 1 392.459 4.351 20 5 GIBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(OC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000125489860 823680272 /nfs/dbraw/zinc/68/02/72/823680272.db2.gz VEPANZFOVFLPRH-MRXNPFEDSA-N 1 1 389.496 4.044 20 5 GIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000461717038 823686758 /nfs/dbraw/zinc/68/67/58/823686758.db2.gz RDOANIGJSMHKHJ-GOSISDBHSA-N 1 1 398.507 4.035 20 5 GIBDMO CC(C)[N@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350299 823798668 /nfs/dbraw/zinc/79/86/68/823798668.db2.gz HFSMRMXATGFZOW-UHFFFAOYSA-N 1 1 379.819 4.236 20 5 GIBDMO CC(C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350299 823798675 /nfs/dbraw/zinc/79/86/75/823798675.db2.gz HFSMRMXATGFZOW-UHFFFAOYSA-N 1 1 379.819 4.236 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cs2)c1 ZINC000414488038 823993513 /nfs/dbraw/zinc/99/35/13/823993513.db2.gz QCCCLYNARZVCPV-RBUKOAKNSA-N 1 1 381.457 4.026 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cs2)c1 ZINC000414488038 823993519 /nfs/dbraw/zinc/99/35/19/823993519.db2.gz QCCCLYNARZVCPV-RBUKOAKNSA-N 1 1 381.457 4.026 20 5 GIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000170906327 824003557 /nfs/dbraw/zinc/00/35/57/824003557.db2.gz NLQXDQIQGFGZGK-UHFFFAOYSA-N 1 1 397.475 4.233 20 5 GIBDMO C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000414936654 824051735 /nfs/dbraw/zinc/05/17/35/824051735.db2.gz GYMCLZGPHXGKBE-DYVFJYSZSA-N 1 1 375.856 4.128 20 5 GIBDMO CC(C)Oc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000414955253 824053691 /nfs/dbraw/zinc/05/36/91/824053691.db2.gz OCPDTFQLIMRGAO-SFHVURJKSA-N 1 1 395.459 4.007 20 5 GIBDMO Cc1cc(Cl)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164621936 719070110 /nfs/dbraw/zinc/07/01/10/719070110.db2.gz IIZWIDRMMUQNQC-SJORKVTESA-N 1 1 386.883 4.052 20 5 GIBDMO O=[N+]([O-])c1ccc2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2c1 ZINC001164623630 719071430 /nfs/dbraw/zinc/07/14/30/719071430.db2.gz KASLHRQILKXKKK-SIKLNZKXSA-N 1 1 388.471 4.244 20 5 GIBDMO O=[N+]([O-])c1cccc2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc21 ZINC001164624386 719074925 /nfs/dbraw/zinc/07/49/25/719074925.db2.gz LPRVWSOFJOTPJZ-FPOVZHCZSA-N 1 1 388.471 4.244 20 5 GIBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC001164635687 719199251 /nfs/dbraw/zinc/19/92/51/719199251.db2.gz LGSFFJSQGVOCPF-VXGBXAGGSA-N 1 1 394.834 4.103 20 5 GIBDMO CC(C)C[N@H+]1CCC[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000120754914 823057434 /nfs/dbraw/zinc/05/74/34/823057434.db2.gz TXXAHLFPOHUWKG-INIZCTEOSA-N 1 1 388.537 4.176 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000570624719 823063973 /nfs/dbraw/zinc/06/39/73/823063973.db2.gz QHAPXQPUPACUIO-UHFFFAOYSA-N 1 1 382.460 4.315 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000570760992 823082633 /nfs/dbraw/zinc/08/26/33/823082633.db2.gz DHOAXXABBSAAEV-QGZVFWFLSA-N 1 1 396.422 4.472 20 5 GIBDMO Cc1ccnc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1[N+](=O)[O-] ZINC000570877864 823100638 /nfs/dbraw/zinc/10/06/38/823100638.db2.gz GKPLCFFVGGJCIJ-UHFFFAOYSA-N 1 1 393.447 4.030 20 5 GIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000176223782 823156752 /nfs/dbraw/zinc/15/67/52/823156752.db2.gz BSKQUOCJWRKRKS-QGZVFWFLSA-N 1 1 390.871 4.289 20 5 GIBDMO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C2 ZINC000571289587 823160616 /nfs/dbraw/zinc/16/06/16/823160616.db2.gz DVJPDTPMXNLBKS-DYVFJYSZSA-N 1 1 396.413 4.297 20 5 GIBDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121419215 823181300 /nfs/dbraw/zinc/18/13/00/823181300.db2.gz YKEWEXJOTLRDMD-BBRMVZONSA-N 1 1 382.395 4.162 20 5 GIBDMO CSc1cccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000188161752 823196366 /nfs/dbraw/zinc/19/63/66/823196366.db2.gz ZLBKSEHXUPHKOG-HOTGVXAUSA-N 1 1 391.537 4.043 20 5 GIBDMO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000459485291 823202439 /nfs/dbraw/zinc/20/24/39/823202439.db2.gz UWMFXHXZFULVBO-UHFFFAOYSA-N 1 1 376.869 4.433 20 5 GIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000571573023 823202456 /nfs/dbraw/zinc/20/24/56/823202456.db2.gz KIRNKAYVKGRAAQ-LPHOPBHVSA-N 1 1 396.491 4.332 20 5 GIBDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000122013652 823293406 /nfs/dbraw/zinc/29/34/06/823293406.db2.gz ZWQMXVJFQLDUEI-CQSZACIVSA-N 1 1 390.509 4.252 20 5 GIBDMO CC(=O)c1ccc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000030001671 820566118 /nfs/dbraw/zinc/56/61/18/820566118.db2.gz UHDIMEVMIQUQJT-IYBDPMFKSA-N 1 1 397.475 4.019 20 5 GIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000460714165 823492348 /nfs/dbraw/zinc/49/23/48/823492348.db2.gz NZZHHOBVWMIXGX-KRWDZBQOSA-N 1 1 381.476 4.208 20 5 GIBDMO CN1CCN(c2ccc(C[NH2+]Cc3c4ccccc4cc4ccccc43)cn2)CC1 ZINC000030660592 820659778 /nfs/dbraw/zinc/65/97/78/820659778.db2.gz TXNQFWCZUQEYQC-UHFFFAOYSA-N 1 1 396.538 4.430 20 5 GIBDMO O=[N+]([O-])c1ccc(CC[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000060371423 823520943 /nfs/dbraw/zinc/52/09/43/823520943.db2.gz FJYVGUWLWIMBMN-UHFFFAOYSA-N 1 1 379.435 4.416 20 5 GIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000041816159 821233311 /nfs/dbraw/zinc/23/33/11/821233311.db2.gz BXPXAHCTSCGKNH-QGZVFWFLSA-N 1 1 393.896 4.003 20 5 GIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181418604 821816520 /nfs/dbraw/zinc/81/65/20/821816520.db2.gz PDRNJUBUOPUXOY-INIZCTEOSA-N 1 1 397.475 4.360 20 5 GIBDMO COc1ccc([C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)C)cc1 ZINC000182054827 822075946 /nfs/dbraw/zinc/07/59/46/822075946.db2.gz HBCGSTQCPHUVPE-LJQANCHMSA-N 1 1 382.420 4.140 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000182835610 822375401 /nfs/dbraw/zinc/37/54/01/822375401.db2.gz ICNAZVFGHPOMQT-IBGZPJMESA-N 1 1 395.503 4.131 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000182835610 822375406 /nfs/dbraw/zinc/37/54/06/822375406.db2.gz ICNAZVFGHPOMQT-IBGZPJMESA-N 1 1 395.503 4.131 20 5 GIBDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178870570 822417857 /nfs/dbraw/zinc/41/78/57/822417857.db2.gz YQJRDBSUGRSUAC-OAQYLSRUSA-N 1 1 377.444 4.207 20 5 GIBDMO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000179705504 822531828 /nfs/dbraw/zinc/53/18/28/822531828.db2.gz JGQYDARGTDRFCQ-AWEZNQCLSA-N 1 1 381.379 4.183 20 5 GIBDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000179705504 822531831 /nfs/dbraw/zinc/53/18/31/822531831.db2.gz JGQYDARGTDRFCQ-AWEZNQCLSA-N 1 1 381.379 4.183 20 5 GIBDMO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000047406795 822575834 /nfs/dbraw/zinc/57/58/34/822575834.db2.gz UIVNOTTWCAUWKX-IBGZPJMESA-N 1 1 394.431 4.381 20 5 GIBDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000047406795 822575838 /nfs/dbraw/zinc/57/58/38/822575838.db2.gz UIVNOTTWCAUWKX-IBGZPJMESA-N 1 1 394.431 4.381 20 5 GIBDMO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000179982877 822590501 /nfs/dbraw/zinc/59/05/01/822590501.db2.gz KRYSBKCQFIGOCK-UHFFFAOYSA-N 1 1 395.793 4.134 20 5 GIBDMO CCOc1ccccc1C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000180038972 822602466 /nfs/dbraw/zinc/60/24/66/822602466.db2.gz MZLLKRLXTLHAOO-UHFFFAOYSA-N 1 1 380.448 4.026 20 5 GIBDMO COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])cc1F ZINC000184306084 822611598 /nfs/dbraw/zinc/61/15/98/822611598.db2.gz LXRPPDQECQSMHY-JTQLQIEISA-N 1 1 383.217 4.356 20 5 GIBDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1nc(C)cs1 ZINC000184419404 822631755 /nfs/dbraw/zinc/63/17/55/822631755.db2.gz CGGUHGRCJMPTMO-MFKMUULPSA-N 1 1 382.873 4.081 20 5 GIBDMO CCOc1ccc([C@@H](C)[NH2+][C@H](COC)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000180238345 822646024 /nfs/dbraw/zinc/64/60/24/822646024.db2.gz LABMGHQNUPIUPG-SJKOYZFVSA-N 1 1 380.391 4.310 20 5 GIBDMO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000180410738 822677084 /nfs/dbraw/zinc/67/70/84/822677084.db2.gz KHLDYWRIDOPYFK-LLVKDONJSA-N 1 1 388.474 4.069 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180561716 822702948 /nfs/dbraw/zinc/70/29/48/822702948.db2.gz ICOKNEREAMQWSM-MRXNPFEDSA-N 1 1 399.344 4.264 20 5 GIBDMO Cc1cnc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)s1 ZINC000185371753 822773775 /nfs/dbraw/zinc/77/37/75/822773775.db2.gz IXNSUVGDRYMBOD-MEBBXXQBSA-N 1 1 394.884 4.081 20 5 GIBDMO COc1ccc(C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C2CC2)cc1 ZINC000053097829 822821626 /nfs/dbraw/zinc/82/16/26/822821626.db2.gz KROQAMRGKQNLHL-HNNXBMFYSA-N 1 1 398.459 4.271 20 5 GIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815213 822849269 /nfs/dbraw/zinc/84/92/69/822849269.db2.gz IMLSNHFRNJVGPY-AWEZNQCLSA-N 1 1 392.415 4.201 20 5 GIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815213 822849271 /nfs/dbraw/zinc/84/92/71/822849271.db2.gz IMLSNHFRNJVGPY-AWEZNQCLSA-N 1 1 392.415 4.201 20 5 GIBDMO CC[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C ZINC000569516619 822933061 /nfs/dbraw/zinc/93/30/61/822933061.db2.gz SGUZZHLDNWBEDX-FPOVZHCZSA-N 1 1 394.475 4.173 20 5 GIBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000186735792 822947370 /nfs/dbraw/zinc/94/73/70/822947370.db2.gz MWYLKWVCIWUQIV-RDJZCZTQSA-N 1 1 399.516 4.100 20 5 GIBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000175415415 822963494 /nfs/dbraw/zinc/96/34/94/822963494.db2.gz YPAOXOOXOKVQBP-ZWOKBUDYSA-N 1 1 396.491 4.008 20 5 GIBDMO Cc1cc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c(N)c([N+](=O)[O-])c1 ZINC000175515224 822988542 /nfs/dbraw/zinc/98/85/42/822988542.db2.gz IIDMWXDSKITYCJ-UHFFFAOYSA-N 1 1 393.447 4.106 20 5 GIBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000570299177 823023700 /nfs/dbraw/zinc/02/37/00/823023700.db2.gz MTDURSMAICQPKK-QGZVFWFLSA-N 1 1 376.254 4.132 20 5 GIBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000570299177 823023703 /nfs/dbraw/zinc/02/37/03/823023703.db2.gz MTDURSMAICQPKK-QGZVFWFLSA-N 1 1 376.254 4.132 20 5 GIBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570428029 823036593 /nfs/dbraw/zinc/03/65/93/823036593.db2.gz XYYIELKUFAQDDL-BBRMVZONSA-N 1 1 395.866 4.017 20 5 GIBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570428029 823036597 /nfs/dbraw/zinc/03/65/97/823036597.db2.gz XYYIELKUFAQDDL-BBRMVZONSA-N 1 1 395.866 4.017 20 5 GIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124095700 823567374 /nfs/dbraw/zinc/56/73/74/823567374.db2.gz KUZXFNXNIKEOFB-NVXWUHKLSA-N 1 1 378.432 4.270 20 5 GIBDMO CN(C)C(C)(C)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000061015288 823573089 /nfs/dbraw/zinc/57/30/89/823573089.db2.gz IRQLITKCHZTGBN-UHFFFAOYSA-N 1 1 377.872 4.470 20 5 GIBDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000412061472 823625119 /nfs/dbraw/zinc/62/51/19/823625119.db2.gz HROYBEPGCHRYAN-CQSZACIVSA-N 1 1 389.452 4.070 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000190954796 823630089 /nfs/dbraw/zinc/63/00/89/823630089.db2.gz IZBVNVVBGWCFFC-UHFFFAOYSA-N 1 1 391.674 4.371 20 5 GIBDMO CSCC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1nnc2ccccn21 ZINC000164260232 823790805 /nfs/dbraw/zinc/79/08/05/823790805.db2.gz KHJOCHYZVSDRET-GOEBONIOSA-N 1 1 385.493 4.091 20 5 GIBDMO CC(C)[N@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350120 823798468 /nfs/dbraw/zinc/79/84/68/823798468.db2.gz KFOKBNKKHWUUSD-KRWDZBQOSA-N 1 1 381.476 4.173 20 5 GIBDMO CC(C)[N@@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350120 823798471 /nfs/dbraw/zinc/79/84/71/823798471.db2.gz KFOKBNKKHWUUSD-KRWDZBQOSA-N 1 1 381.476 4.173 20 5 GIBDMO COc1cccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000164375289 823798970 /nfs/dbraw/zinc/79/89/70/823798970.db2.gz YJCGQFYTSZOLMY-HXUWFJFHSA-N 1 1 383.448 4.078 20 5 GIBDMO Cc1cc(C)c(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000575030876 823893776 /nfs/dbraw/zinc/89/37/76/823893776.db2.gz AKKOPKPRYKYXEX-OAQYLSRUSA-N 1 1 378.476 4.175 20 5 GIBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414258220 823943924 /nfs/dbraw/zinc/94/39/24/823943924.db2.gz PKANFQAMCZMIRX-LLVKDONJSA-N 1 1 386.399 4.064 20 5 GIBDMO COc1ccc(C[N@@H+](C)CCc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000575455126 823972479 /nfs/dbraw/zinc/97/24/79/823972479.db2.gz LFBHFRWUTPADBL-UHFFFAOYSA-N 1 1 379.254 4.040 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCc4c5ccccc5[nH]c4C3)o2)c1 ZINC000126995954 823997427 /nfs/dbraw/zinc/99/74/27/823997427.db2.gz NPQKRBKNYICPGJ-UHFFFAOYSA-N 1 1 388.427 4.332 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCc4c5ccccc5[nH]c4C3)o2)c1 ZINC000126995954 823997431 /nfs/dbraw/zinc/99/74/31/823997431.db2.gz NPQKRBKNYICPGJ-UHFFFAOYSA-N 1 1 388.427 4.332 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H](c4ccc(F)cc4)C3)o2)c1 ZINC000170908448 824004262 /nfs/dbraw/zinc/00/42/62/824004262.db2.gz UWJYUIHOIMFOEQ-FQEVSTJZSA-N 1 1 397.406 4.005 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H](c4ccc(F)cc4)C3)o2)c1 ZINC000170908448 824004269 /nfs/dbraw/zinc/00/42/69/824004269.db2.gz UWJYUIHOIMFOEQ-FQEVSTJZSA-N 1 1 397.406 4.005 20 5 GIBDMO CC(C)[C@@H]1[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC12CCOCC2 ZINC000414538569 824005426 /nfs/dbraw/zinc/00/54/26/824005426.db2.gz MHEZQOIATZLNAF-SFHVURJKSA-N 1 1 387.505 4.355 20 5 GIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000192483832 824008162 /nfs/dbraw/zinc/00/81/62/824008162.db2.gz GIQOJSRJHDGDOZ-QGZVFWFLSA-N 1 1 381.476 4.208 20 5 GIBDMO Cc1ccc(-c2noc(CCC[N@H+](C)Cc3ccccc3[N+](=O)[O-])n2)cc1F ZINC000192642106 824054248 /nfs/dbraw/zinc/05/42/48/824054248.db2.gz BSSUHJQBHXJZPC-UHFFFAOYSA-N 1 1 384.411 4.157 20 5 GIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628848 719087866 /nfs/dbraw/zinc/08/78/66/719087866.db2.gz OZRJUPGEBXPOGF-UGKGYDQZSA-N 1 1 388.471 4.244 20 5 GIBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000175831140 823050254 /nfs/dbraw/zinc/05/02/54/823050254.db2.gz GVTKXOPIWSORBT-FUHWJXTLSA-N 1 1 376.478 4.013 20 5 GIBDMO CC[N@@H+](Cc1ccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1)C(C)C ZINC000120997873 823100052 /nfs/dbraw/zinc/10/00/52/823100052.db2.gz LLAOUTFJOYEGCF-UHFFFAOYSA-N 1 1 381.476 4.418 20 5 GIBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1COc2cc(F)c(Br)cc21 ZINC000571178748 823144528 /nfs/dbraw/zinc/14/45/28/823144528.db2.gz OKIOLDSPCSXXOJ-CABCVRRESA-N 1 1 393.212 4.207 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000176190540 823148999 /nfs/dbraw/zinc/14/89/99/823148999.db2.gz MUBZDQRASYZZQV-GFCCVEGCSA-N 1 1 384.823 4.233 20 5 GIBDMO C[C@]1(c2ccccc2)C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000121339593 823165940 /nfs/dbraw/zinc/16/59/40/823165940.db2.gz FOUOEZMJWALIAW-JOCHJYFZSA-N 1 1 393.443 4.040 20 5 GIBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(Cl)c1 ZINC000459668777 823246268 /nfs/dbraw/zinc/24/62/68/823246268.db2.gz TZNQUAOVOCXMKZ-OAHLLOKOSA-N 1 1 392.805 4.429 20 5 GIBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(Cl)c1 ZINC000459668777 823246272 /nfs/dbraw/zinc/24/62/72/823246272.db2.gz TZNQUAOVOCXMKZ-OAHLLOKOSA-N 1 1 392.805 4.429 20 5 GIBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCCC[C@@H]3C[C@@H](O)c3ccco3)nc2c1 ZINC000121824464 823258477 /nfs/dbraw/zinc/25/84/77/823258477.db2.gz AZGZARKHDNEHSZ-RHSMWYFYSA-N 1 1 385.420 4.197 20 5 GIBDMO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000057406369 823292004 /nfs/dbraw/zinc/29/20/04/823292004.db2.gz RXYXNDOSSNGDTK-INIZCTEOSA-N 1 1 375.428 4.301 20 5 GIBDMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000122013857 823293351 /nfs/dbraw/zinc/29/33/51/823293351.db2.gz ZWQMXVJFQLDUEI-AWEZNQCLSA-N 1 1 390.509 4.252 20 5 GIBDMO COc1ccccc1[C@@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000015128562 818293538 /nfs/dbraw/zinc/29/35/38/818293538.db2.gz PRKNMDKOVDJNTK-HXUWFJFHSA-N 1 1 383.448 4.055 20 5 GIBDMO CCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1F ZINC000177178908 823392152 /nfs/dbraw/zinc/39/21/52/823392152.db2.gz ONUKAOKNGYPWMS-SFHVURJKSA-N 1 1 378.375 4.371 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000572805111 823402304 /nfs/dbraw/zinc/40/23/04/823402304.db2.gz HMEXRYXNPPUFHZ-IBGZPJMESA-N 1 1 396.491 4.327 20 5 GIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000058520655 823403216 /nfs/dbraw/zinc/40/32/16/823403216.db2.gz NATVBIJPDSONGH-MRXNPFEDSA-N 1 1 382.464 4.148 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000026250418 820074985 /nfs/dbraw/zinc/07/49/85/820074985.db2.gz IJGSBXIQUMAZRS-UHFFFAOYSA-N 1 1 393.443 4.217 20 5 GIBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000027208351 820209636 /nfs/dbraw/zinc/20/96/36/820209636.db2.gz WPSMLCBADVXXFV-SFHVURJKSA-N 1 1 389.455 4.196 20 5 GIBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)nc1 ZINC000029527687 820468909 /nfs/dbraw/zinc/46/89/09/820468909.db2.gz GHIJJQGGNSWWJN-UHFFFAOYSA-N 1 1 398.463 4.180 20 5 GIBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000061116321 823578971 /nfs/dbraw/zinc/57/89/71/823578971.db2.gz SEUGISMLSUYXBR-UHFFFAOYSA-N 1 1 387.180 4.249 20 5 GIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000043086546 821359564 /nfs/dbraw/zinc/35/95/64/821359564.db2.gz XJKCYKUMJNQAJT-UHFFFAOYSA-N 1 1 387.505 4.087 20 5 GIBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000180870778 821504694 /nfs/dbraw/zinc/50/46/94/821504694.db2.gz IXDJVBWLPBIFBY-ZFWWWQNUSA-N 1 1 376.840 4.243 20 5 GIBDMO Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000044831043 821669487 /nfs/dbraw/zinc/66/94/87/821669487.db2.gz HJAHKZZSRGDZGL-MRXNPFEDSA-N 1 1 382.464 4.251 20 5 GIBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000181689873 821945504 /nfs/dbraw/zinc/94/55/04/821945504.db2.gz XNOBTZKBZHTESF-MRXNPFEDSA-N 1 1 393.553 4.193 20 5 GIBDMO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000182104569 822095392 /nfs/dbraw/zinc/09/53/92/822095392.db2.gz NMPWAQDAPHUQFS-UZTOHYMASA-N 1 1 384.457 4.064 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000178728406 822405864 /nfs/dbraw/zinc/40/58/64/822405864.db2.gz CNOBICSQEGXQMS-SNVBAGLBSA-N 1 1 383.217 4.356 20 5 GIBDMO C[N@@H+]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1ccccc1 ZINC000179045203 822433161 /nfs/dbraw/zinc/43/31/61/822433161.db2.gz MDWUSYXTDJUMPN-PMACEKPBSA-N 1 1 394.500 4.253 20 5 GIBDMO C[N@H+]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1ccccc1 ZINC000179045203 822433163 /nfs/dbraw/zinc/43/31/63/822433163.db2.gz MDWUSYXTDJUMPN-PMACEKPBSA-N 1 1 394.500 4.253 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3(c4ccc(F)cc4)CCOCC3)co2)cc1 ZINC000179231223 822454475 /nfs/dbraw/zinc/45/44/75/822454475.db2.gz DRPNEYZONBNUFL-UHFFFAOYSA-N 1 1 397.406 4.184 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](C4OCCO4)C3)o2)c(Cl)c1 ZINC000179365872 822471970 /nfs/dbraw/zinc/47/19/70/822471970.db2.gz LBXJZTNPYBYICP-CYBMUJFWSA-N 1 1 392.839 4.093 20 5 GIBDMO COc1cc(C[NH2+]C(C)(C)c2cccc(F)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000179581151 822506593 /nfs/dbraw/zinc/50/65/93/822506593.db2.gz WMMAEDKOSHEYEJ-UHFFFAOYSA-N 1 1 384.354 4.369 20 5 GIBDMO Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000046794796 822517830 /nfs/dbraw/zinc/51/78/30/822517830.db2.gz OYZNCNFGCLSGSF-QGZVFWFLSA-N 1 1 381.476 4.208 20 5 GIBDMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O ZINC000180012279 822596357 /nfs/dbraw/zinc/59/63/57/822596357.db2.gz RZQCVDZUENYVRD-GTNSWQLSSA-N 1 1 389.839 4.209 20 5 GIBDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1nc(C)cs1 ZINC000184419384 822631816 /nfs/dbraw/zinc/63/18/16/822631816.db2.gz CGGUHGRCJMPTMO-GXFFZTMASA-N 1 1 382.873 4.081 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000184626856 822667796 /nfs/dbraw/zinc/66/77/96/822667796.db2.gz HBXIEMGFTICFEA-KGLIPLIRSA-N 1 1 396.422 4.209 20 5 GIBDMO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000180399341 822675544 /nfs/dbraw/zinc/67/55/44/822675544.db2.gz ICCNWBHMAWCHAC-ZDUSSCGKSA-N 1 1 397.456 4.356 20 5 GIBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180414717 822677664 /nfs/dbraw/zinc/67/76/64/822677664.db2.gz YSZDFRSXGKVEOW-HNNXBMFYSA-N 1 1 388.489 4.162 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184896782 822709324 /nfs/dbraw/zinc/70/93/24/822709324.db2.gz KYQREHIIQPLINA-HNNXBMFYSA-N 1 1 394.431 4.238 20 5 GIBDMO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000180618977 822713896 /nfs/dbraw/zinc/71/38/96/822713896.db2.gz ZSDNBLDSDJWEEU-AWEZNQCLSA-N 1 1 397.401 4.166 20 5 GIBDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000180618977 822713897 /nfs/dbraw/zinc/71/38/97/822713897.db2.gz ZSDNBLDSDJWEEU-AWEZNQCLSA-N 1 1 397.401 4.166 20 5 GIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133674 822747821 /nfs/dbraw/zinc/74/78/21/822747821.db2.gz MPUKAXDGKYUTMY-PLMTUMEDSA-N 1 1 397.475 4.022 20 5 GIBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000174406768 822785930 /nfs/dbraw/zinc/78/59/30/822785930.db2.gz SPOGXWPBUSXPAJ-KRWDZBQOSA-N 1 1 376.840 4.096 20 5 GIBDMO CCC(CC)c1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)on1 ZINC000174546448 822803334 /nfs/dbraw/zinc/80/33/34/822803334.db2.gz RTZRMKACXNSKLG-UHFFFAOYSA-N 1 1 383.452 4.177 20 5 GIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724564 822814559 /nfs/dbraw/zinc/81/45/59/822814559.db2.gz QFOKUKOEQSSNPU-DLBZAZTESA-N 1 1 375.513 4.125 20 5 GIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724600 822814778 /nfs/dbraw/zinc/81/47/78/822814778.db2.gz QFOKUKOEQSSNPU-IRXDYDNUSA-N 1 1 375.513 4.125 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000053235935 822827476 /nfs/dbraw/zinc/82/74/76/822827476.db2.gz RVTASVWSWAWLIT-ZDUSSCGKSA-N 1 1 391.855 4.278 20 5 GIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCSC3(CCOCC3)C2)s1 ZINC000186481265 822902063 /nfs/dbraw/zinc/90/20/63/822902063.db2.gz MLVGIOHYAYDANH-UHFFFAOYSA-N 1 1 390.530 4.421 20 5 GIBDMO CSc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000186563349 822913913 /nfs/dbraw/zinc/91/39/13/822913913.db2.gz LNLNUVRDLCETDH-INIZCTEOSA-N 1 1 399.516 4.053 20 5 GIBDMO CN(C)C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1 ZINC000569611719 822944511 /nfs/dbraw/zinc/94/45/11/822944511.db2.gz JTNANPMHPAAEES-FQEVSTJZSA-N 1 1 383.423 4.386 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000175797686 823042596 /nfs/dbraw/zinc/04/25/96/823042596.db2.gz HSKXHRUFAANNRE-CQSZACIVSA-N 1 1 396.472 4.058 20 5 GIBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000123851839 823545614 /nfs/dbraw/zinc/54/56/14/823545614.db2.gz QBVNVNBHCACNCJ-MRXNPFEDSA-N 1 1 399.491 4.229 20 5 GIBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000123863321 823547331 /nfs/dbraw/zinc/54/73/31/823547331.db2.gz XFLIHLOBLVVDTC-MRXNPFEDSA-N 1 1 399.491 4.229 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190190626 823548590 /nfs/dbraw/zinc/54/85/90/823548590.db2.gz KZBRHEALIRWHGF-HNNXBMFYSA-N 1 1 387.402 4.142 20 5 GIBDMO COc1ccc(NC(=O)CC[N@H+]2CCCCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000411290013 823562579 /nfs/dbraw/zinc/56/25/79/823562579.db2.gz HZDHNRIAIVPNOC-QGZVFWFLSA-N 1 1 387.436 4.142 20 5 GIBDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411318268 823564208 /nfs/dbraw/zinc/56/42/08/823564208.db2.gz CAWGMMQWBXLWIZ-ZDUSSCGKSA-N 1 1 384.461 4.226 20 5 GIBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000124603379 823610410 /nfs/dbraw/zinc/61/04/10/823610410.db2.gz NFOCBOALZGBERU-OTWHNJEPSA-N 1 1 397.519 4.363 20 5 GIBDMO CC(C)CCSc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000124765839 823624403 /nfs/dbraw/zinc/62/44/03/823624403.db2.gz VEPPMVALZNMAPZ-WBVHZDCISA-N 1 1 393.553 4.288 20 5 GIBDMO CC1(C)C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC2(CCCC2)O1 ZINC000190961406 823631018 /nfs/dbraw/zinc/63/10/18/823631018.db2.gz FUUUJICDDQAKAG-UHFFFAOYSA-N 1 1 385.464 4.216 20 5 GIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412202293 823635353 /nfs/dbraw/zinc/63/53/53/823635353.db2.gz ZTDUJMVJIRQAKC-BULFRSBZSA-N 1 1 399.535 4.201 20 5 GIBDMO CC(C)[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350089 823798453 /nfs/dbraw/zinc/79/84/53/823798453.db2.gz CZMQFRYYBHNWNW-UHFFFAOYSA-N 1 1 381.476 4.241 20 5 GIBDMO COc1cc(C[NH2+]Cc2ncccc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000126186353 823807626 /nfs/dbraw/zinc/80/76/26/823807626.db2.gz YEFFNVVJTASKPN-UHFFFAOYSA-N 1 1 397.406 4.006 20 5 GIBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1cccc(OC)c1 ZINC000164836657 823822017 /nfs/dbraw/zinc/82/20/17/823822017.db2.gz ZHWIBCVGNMMVEL-INIZCTEOSA-N 1 1 385.464 4.324 20 5 GIBDMO COc1ccc([C@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1OC ZINC000574779786 823824673 /nfs/dbraw/zinc/82/46/73/823824673.db2.gz RFDOPTRBZXAYPU-AWEZNQCLSA-N 1 1 397.431 4.426 20 5 GIBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H](C)c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000165186853 823839089 /nfs/dbraw/zinc/83/90/89/823839089.db2.gz WVGVIKKNXCCQRJ-CYBMUJFWSA-N 1 1 377.391 4.203 20 5 GIBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC000462367052 823943544 /nfs/dbraw/zinc/94/35/44/823943544.db2.gz BOPBJOYRBMPKAA-ZDUSSCGKSA-N 1 1 377.391 4.055 20 5 GIBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(CO)CC2)ccc1Oc1ccccc1Cl ZINC000127047686 824006809 /nfs/dbraw/zinc/00/68/09/824006809.db2.gz NNEBLQZXFKVJTL-UHFFFAOYSA-N 1 1 376.840 4.245 20 5 GIBDMO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164630874 719092729 /nfs/dbraw/zinc/09/27/29/719092729.db2.gz WZXZXQPQNCSPRQ-KNQAVFIVSA-N 1 1 388.471 4.244 20 5 GIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000175965206 823083438 /nfs/dbraw/zinc/08/34/38/823083438.db2.gz AIEDLPWLGCTQAX-CQSZACIVSA-N 1 1 388.493 4.458 20 5 GIBDMO COc1cc(C[NH2+][C@@H](c2ncccc2C)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000121006624 823101717 /nfs/dbraw/zinc/10/17/17/823101717.db2.gz JCJKEFQLXCKTSK-QGZVFWFLSA-N 1 1 395.406 4.395 20 5 GIBDMO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000571006723 823119211 /nfs/dbraw/zinc/11/92/11/823119211.db2.gz KUGUAHYYPPPEKM-GOSISDBHSA-N 1 1 397.431 4.251 20 5 GIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000571573020 823202487 /nfs/dbraw/zinc/20/24/87/823202487.db2.gz KIRNKAYVKGRAAQ-APWZRJJASA-N 1 1 396.491 4.332 20 5 GIBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176723349 823277364 /nfs/dbraw/zinc/27/73/64/823277364.db2.gz QHDQUAHPFXGEGE-ZBFHGGJFSA-N 1 1 387.867 4.031 20 5 GIBDMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3C)ccc2c1 ZINC000007926683 817960763 /nfs/dbraw/zinc/96/07/63/817960763.db2.gz FJENQRAALRQYNM-UHFFFAOYSA-N 1 1 393.443 4.136 20 5 GIBDMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3C)ccc2c1 ZINC000007926683 817960766 /nfs/dbraw/zinc/96/07/66/817960766.db2.gz FJENQRAALRQYNM-UHFFFAOYSA-N 1 1 393.443 4.136 20 5 GIBDMO COc1ccc(C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)cc1[N+](=O)[O-] ZINC000572446706 823340790 /nfs/dbraw/zinc/34/07/90/823340790.db2.gz DJSHBCDTWLTKKW-UHFFFAOYSA-N 1 1 384.263 4.266 20 5 GIBDMO CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1F ZINC000177176306 823391607 /nfs/dbraw/zinc/39/16/07/823391607.db2.gz LNBILWRPWIZQJF-GOSISDBHSA-N 1 1 378.375 4.226 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(CCc4ccccc4)CC3)n2)c1 ZINC000025933111 820041898 /nfs/dbraw/zinc/04/18/98/820041898.db2.gz GWDIXHZCUKEWDV-UHFFFAOYSA-N 1 1 392.459 4.490 20 5 GIBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3Oc3ccccc3)CC2)cn1 ZINC000027231190 820213302 /nfs/dbraw/zinc/21/33/02/820213302.db2.gz LSMIJCZKFONYLR-UHFFFAOYSA-N 1 1 390.443 4.104 20 5 GIBDMO COc1ccc(Cl)cc1C[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000027739499 820281238 /nfs/dbraw/zinc/28/12/38/820281238.db2.gz MGZZSBUIGCIVJQ-UHFFFAOYSA-N 1 1 391.855 4.026 20 5 GIBDMO COc1ccc([C@H](C)[N@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000030002564 820566067 /nfs/dbraw/zinc/56/60/67/820566067.db2.gz GGDJUOLWOARADB-LBPRGKRZSA-N 1 1 396.390 4.406 20 5 GIBDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000030002564 820566071 /nfs/dbraw/zinc/56/60/71/820566071.db2.gz GGDJUOLWOARADB-LBPRGKRZSA-N 1 1 396.390 4.406 20 5 GIBDMO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177561886 823491451 /nfs/dbraw/zinc/49/14/51/823491451.db2.gz AJXWXSHFXPPSRM-LJQANCHMSA-N 1 1 386.448 4.347 20 5 GIBDMO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177561871 823491576 /nfs/dbraw/zinc/49/15/76/823491576.db2.gz AJXWXSHFXPPSRM-IBGZPJMESA-N 1 1 386.448 4.347 20 5 GIBDMO O=C(c1ccc(Cl)cc1)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000060481932 823532836 /nfs/dbraw/zinc/53/28/36/823532836.db2.gz JVDGQEQYASQVKD-UHFFFAOYSA-N 1 1 388.851 4.222 20 5 GIBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C1 ZINC000180812444 821473788 /nfs/dbraw/zinc/47/37/88/821473788.db2.gz SIUHWUYMXPAITK-QRQLOZEOSA-N 1 1 388.489 4.092 20 5 GIBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180862304 821500370 /nfs/dbraw/zinc/50/03/70/821500370.db2.gz WYERUOCTMALSDG-OLZOCXBDSA-N 1 1 380.876 4.023 20 5 GIBDMO CC(C)(C)Oc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000180890599 821517471 /nfs/dbraw/zinc/51/74/71/821517471.db2.gz VJSFHJGEUDAVAV-UHFFFAOYSA-N 1 1 381.379 4.058 20 5 GIBDMO Cn1cc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000180987683 821576516 /nfs/dbraw/zinc/57/65/16/821576516.db2.gz RZDVTGLVHGAQDT-KRWDZBQOSA-N 1 1 390.365 4.226 20 5 GIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181664080 821931351 /nfs/dbraw/zinc/93/13/51/821931351.db2.gz OUKMDQQGPOKWQB-LSDHHAIUSA-N 1 1 391.537 4.090 20 5 GIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000181938666 822040609 /nfs/dbraw/zinc/04/06/09/822040609.db2.gz MLRYXGQYIZHIHF-AZUAARDMSA-N 1 1 399.516 4.271 20 5 GIBDMO COc1ccc([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1Br ZINC000182093883 822091809 /nfs/dbraw/zinc/09/18/09/822091809.db2.gz PLVKEFIXSGZMFW-SNVBAGLBSA-N 1 1 383.217 4.356 20 5 GIBDMO Cc1ccc([C@H](C)[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000178683718 822402700 /nfs/dbraw/zinc/40/27/00/822402700.db2.gz VWTOEUMOKZTBSL-UWJYYQICSA-N 1 1 381.476 4.308 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000178728395 822405960 /nfs/dbraw/zinc/40/59/60/822405960.db2.gz CNOBICSQEGXQMS-JTQLQIEISA-N 1 1 383.217 4.356 20 5 GIBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000179316639 822465292 /nfs/dbraw/zinc/46/52/92/822465292.db2.gz XELCPRIUJNQOFV-UHFFFAOYSA-N 1 1 399.454 4.475 20 5 GIBDMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000179316639 822465295 /nfs/dbraw/zinc/46/52/95/822465295.db2.gz XELCPRIUJNQOFV-UHFFFAOYSA-N 1 1 399.454 4.475 20 5 GIBDMO Cc1csc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)n1 ZINC000183561267 822494930 /nfs/dbraw/zinc/49/49/30/822494930.db2.gz ULKKCXJUVWHQCM-MEBBXXQBSA-N 1 1 394.884 4.081 20 5 GIBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454597505 822503545 /nfs/dbraw/zinc/50/35/45/822503545.db2.gz OFGYKTVBGZEBJG-FUHIMQAGSA-N 1 1 396.491 4.008 20 5 GIBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454597504 822503549 /nfs/dbraw/zinc/50/35/49/822503549.db2.gz OFGYKTVBGZEBJG-ABSDTBQOSA-N 1 1 396.491 4.008 20 5 GIBDMO COc1ccc([C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 ZINC000179682344 822526494 /nfs/dbraw/zinc/52/64/94/822526494.db2.gz FTGBBUAQXRNAMH-HXUWFJFHSA-N 1 1 379.416 4.499 20 5 GIBDMO CCOc1ccc([C@@H](C)[NH2+][C@@H](COC)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000180238306 822646022 /nfs/dbraw/zinc/64/60/22/822646022.db2.gz LABMGHQNUPIUPG-PXAZEXFGSA-N 1 1 380.391 4.310 20 5 GIBDMO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000184538044 822653579 /nfs/dbraw/zinc/65/35/79/822653579.db2.gz LHQKKLSXSIALLP-AWEZNQCLSA-N 1 1 396.472 4.032 20 5 GIBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184628658 822668183 /nfs/dbraw/zinc/66/81/83/822668183.db2.gz NGBYRTFRTJEIPR-XYJFISCASA-N 1 1 399.466 4.007 20 5 GIBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133760 822747831 /nfs/dbraw/zinc/74/78/31/822747831.db2.gz RGWXVMKFCZEXSX-XMSQKQJNSA-N 1 1 397.475 4.023 20 5 GIBDMO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)n2C ZINC000185843499 822826733 /nfs/dbraw/zinc/82/67/33/822826733.db2.gz ZKTQUYNKGCXGHB-UHFFFAOYSA-N 1 1 392.415 4.040 20 5 GIBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000175415373 822963477 /nfs/dbraw/zinc/96/34/77/822963477.db2.gz YPAOXOOXOKVQBP-ABSDTBQOSA-N 1 1 396.491 4.008 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000175797706 823042612 /nfs/dbraw/zinc/04/26/12/823042612.db2.gz HSKXHRUFAANNRE-AWEZNQCLSA-N 1 1 396.472 4.058 20 5 GIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000060882268 823564617 /nfs/dbraw/zinc/56/46/17/823564617.db2.gz ORLPBSVJTZTJMJ-QGZVFWFLSA-N 1 1 396.491 4.410 20 5 GIBDMO O=[N+]([O-])c1cc(CNCC[NH+]2CCCC2)ccc1Oc1ccccc1Cl ZINC000061030871 823574447 /nfs/dbraw/zinc/57/44/47/823574447.db2.gz HBEMKHJMDVYCOU-UHFFFAOYSA-N 1 1 375.856 4.226 20 5 GIBDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190490969 823580556 /nfs/dbraw/zinc/58/05/56/823580556.db2.gz YHWLSJYDFJHUEY-HNNXBMFYSA-N 1 1 380.448 4.234 20 5 GIBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000061285589 823589570 /nfs/dbraw/zinc/58/95/70/823589570.db2.gz BBRNPRRGGDNFIG-UHFFFAOYSA-N 1 1 391.880 4.049 20 5 GIBDMO O=C(CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000411791910 823605185 /nfs/dbraw/zinc/60/51/85/823605185.db2.gz MGJPDMKVDCIWJZ-IBGZPJMESA-N 1 1 393.447 4.027 20 5 GIBDMO O=C(CC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000411791910 823605189 /nfs/dbraw/zinc/60/51/89/823605189.db2.gz MGJPDMKVDCIWJZ-IBGZPJMESA-N 1 1 393.447 4.027 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000124612660 823611086 /nfs/dbraw/zinc/61/10/86/823611086.db2.gz HHBSLPWRMJHOJH-OTWHNJEPSA-N 1 1 397.519 4.363 20 5 GIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000124634154 823612927 /nfs/dbraw/zinc/61/29/27/823612927.db2.gz QQQPDULWICANSL-IBGZPJMESA-N 1 1 392.402 4.142 20 5 GIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413232792 823734704 /nfs/dbraw/zinc/73/47/04/823734704.db2.gz GYVSZTXHOILEQD-GOSISDBHSA-N 1 1 391.475 4.029 20 5 GIBDMO COc1ccc(CCC[N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000125888096 823738325 /nfs/dbraw/zinc/73/83/25/823738325.db2.gz SSGFFCXBNYSMCO-OAHLLOKOSA-N 1 1 396.447 4.279 20 5 GIBDMO CSCC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1nnc2ccccn21 ZINC000164259068 823790183 /nfs/dbraw/zinc/79/01/83/823790183.db2.gz ZGGZJFJDJSBVTD-YOEHRIQHSA-N 1 1 385.493 4.091 20 5 GIBDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350090 823798311 /nfs/dbraw/zinc/79/83/11/823798311.db2.gz PLOQFSAVRRWUOG-UHFFFAOYSA-N 1 1 375.856 4.487 20 5 GIBDMO COc1cc(C[N@H+]2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000575010554 823887234 /nfs/dbraw/zinc/88/72/34/823887234.db2.gz WPXJWCXRMGNRTE-CYBMUJFWSA-N 1 1 388.386 4.167 20 5 GIBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000126548402 823895845 /nfs/dbraw/zinc/89/58/45/823895845.db2.gz RDQSHMATTRWIFC-MAUKXSAKSA-N 1 1 385.439 4.032 20 5 GIBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414258221 823943813 /nfs/dbraw/zinc/94/38/13/823943813.db2.gz PKANFQAMCZMIRX-NSHDSACASA-N 1 1 386.399 4.064 20 5 GIBDMO COc1cc(C[NH2+][C@@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000192355847 823957995 /nfs/dbraw/zinc/95/79/95/823957995.db2.gz FGYWRKRJWUZSNI-CQSZACIVSA-N 1 1 394.374 4.078 20 5 GIBDMO CC(C)C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCc2cccnc21 ZINC000126921040 823981464 /nfs/dbraw/zinc/98/14/64/823981464.db2.gz QJSQZEIFKYIPOF-HXUWFJFHSA-N 1 1 397.475 4.392 20 5 GIBDMO Cc1cc(Cl)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164621931 719070458 /nfs/dbraw/zinc/07/04/58/719070458.db2.gz IIZWIDRMMUQNQC-IAGOWNOFSA-N 1 1 386.883 4.052 20 5 GIBDMO CC(C)c1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000187521076 823080296 /nfs/dbraw/zinc/08/02/96/823080296.db2.gz AILOVFQDFLTJRY-NRFANRHFSA-N 1 1 382.439 4.470 20 5 GIBDMO CSc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1[N+](=O)[O-] ZINC000188014985 823172211 /nfs/dbraw/zinc/17/22/11/823172211.db2.gz WLDROJXDORPUPK-OAHLLOKOSA-N 1 1 393.896 4.003 20 5 GIBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459649580 823238804 /nfs/dbraw/zinc/23/88/04/823238804.db2.gz MELXFAXQYLYUEZ-MAVJXHJTSA-N 1 1 384.398 4.289 20 5 GIBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459649585 823238898 /nfs/dbraw/zinc/23/88/98/823238898.db2.gz MELXFAXQYLYUEZ-RCFWFJCLSA-N 1 1 384.398 4.289 20 5 GIBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ncccc12 ZINC000409650577 823274036 /nfs/dbraw/zinc/27/40/36/823274036.db2.gz VFIIEIBISJZJEG-HNNXBMFYSA-N 1 1 377.448 4.060 20 5 GIBDMO Cc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000008168858 818010924 /nfs/dbraw/zinc/01/09/24/818010924.db2.gz XXRVYOOHAJBYFD-LJQANCHMSA-N 1 1 387.867 4.124 20 5 GIBDMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000058764880 823446889 /nfs/dbraw/zinc/44/68/89/823446889.db2.gz YJUGWKNXOOBDCL-SNVBAGLBSA-N 1 1 398.246 4.200 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000026225501 820071497 /nfs/dbraw/zinc/07/14/97/820071497.db2.gz UFSYINYFMRPZPU-UHFFFAOYSA-N 1 1 379.819 4.156 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1c(F)cccc1Cl ZINC000026225501 820071499 /nfs/dbraw/zinc/07/14/99/820071499.db2.gz UFSYINYFMRPZPU-UHFFFAOYSA-N 1 1 379.819 4.156 20 5 GIBDMO Cc1cc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000028669930 820348369 /nfs/dbraw/zinc/34/83/69/820348369.db2.gz JTHMPCHPLXCTKB-UHFFFAOYSA-N 1 1 389.455 4.014 20 5 GIBDMO Cc1c(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000410363612 823475266 /nfs/dbraw/zinc/47/52/66/823475266.db2.gz GLZDXISZRBWYEY-INIZCTEOSA-N 1 1 396.491 4.457 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@](F)(c4ccccc4)C3)o2)c1 ZINC000573340978 823481914 /nfs/dbraw/zinc/48/19/14/823481914.db2.gz MNXFFBNUWRIPJC-NRFANRHFSA-N 1 1 381.407 4.363 20 5 GIBDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000032791956 821008271 /nfs/dbraw/zinc/00/82/71/821008271.db2.gz BEVUTQYDMWPVIL-UWVGGRQHSA-N 1 1 383.782 4.204 20 5 GIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000043643596 821434976 /nfs/dbraw/zinc/43/49/76/821434976.db2.gz OVEOTBKPWQNPCG-LBPRGKRZSA-N 1 1 381.354 4.073 20 5 GIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000043643596 821434987 /nfs/dbraw/zinc/43/49/87/821434987.db2.gz OVEOTBKPWQNPCG-LBPRGKRZSA-N 1 1 381.354 4.073 20 5 GIBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C1 ZINC000180812408 821473640 /nfs/dbraw/zinc/47/36/40/821473640.db2.gz SIUHWUYMXPAITK-BHIYHBOVSA-N 1 1 388.489 4.092 20 5 GIBDMO CC[C@@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000181564434 821882604 /nfs/dbraw/zinc/88/26/04/821882604.db2.gz PODZMWPZCXRHNQ-GOSISDBHSA-N 1 1 396.472 4.058 20 5 GIBDMO COc1ccc([C@@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)C)cc1 ZINC000182054806 822076118 /nfs/dbraw/zinc/07/61/18/822076118.db2.gz HBCGSTQCPHUVPE-IBGZPJMESA-N 1 1 382.420 4.140 20 5 GIBDMO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(-n2cccn2)c1 ZINC000183596702 822499117 /nfs/dbraw/zinc/49/91/17/822499117.db2.gz GUCQRBPGPXRCIA-HNNXBMFYSA-N 1 1 389.415 4.286 20 5 GIBDMO COc1cc(C[NH+]2CCC(C(F)(F)F)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179915317 822576442 /nfs/dbraw/zinc/57/64/42/822576442.db2.gz IEGZXOKDLHXQST-UHFFFAOYSA-N 1 1 398.328 4.022 20 5 GIBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1OCC ZINC000184297762 822610599 /nfs/dbraw/zinc/61/05/99/822610599.db2.gz FJVBOHTYHPKTEJ-CYBMUJFWSA-N 1 1 392.427 4.391 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H]3C[C@H](O)c3ccco3)cs2)c1 ZINC000180601047 822709015 /nfs/dbraw/zinc/70/90/15/822709015.db2.gz JMVJDJGGEFSGPC-WMZOPIPTSA-N 1 1 399.472 4.399 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccco3)cs2)c1 ZINC000180601047 822709016 /nfs/dbraw/zinc/70/90/16/822709016.db2.gz JMVJDJGGEFSGPC-WMZOPIPTSA-N 1 1 399.472 4.399 20 5 GIBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)nc2c1 ZINC000051120961 822746704 /nfs/dbraw/zinc/74/67/04/822746704.db2.gz WIOJVUPYCIXGMX-CYBMUJFWSA-N 1 1 393.472 4.460 20 5 GIBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)nc2c1 ZINC000051120961 822746705 /nfs/dbraw/zinc/74/67/05/822746705.db2.gz WIOJVUPYCIXGMX-CYBMUJFWSA-N 1 1 393.472 4.460 20 5 GIBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133711 822747826 /nfs/dbraw/zinc/74/78/26/822747826.db2.gz DUHFGJLWVTXMMV-PGRDOPGGSA-N 1 1 397.475 4.023 20 5 GIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815214 822849286 /nfs/dbraw/zinc/84/92/86/822849286.db2.gz IMLSNHFRNJVGPY-CQSZACIVSA-N 1 1 392.415 4.201 20 5 GIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815214 822849289 /nfs/dbraw/zinc/84/92/89/822849289.db2.gz IMLSNHFRNJVGPY-CQSZACIVSA-N 1 1 392.415 4.201 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@]4(CCSC4)C3)o2)c(Cl)c1 ZINC000569342209 822909735 /nfs/dbraw/zinc/90/97/35/822909735.db2.gz ZIUHYBRWTFRXRV-SFHVURJKSA-N 1 1 394.880 4.216 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@]4(CCSC4)C3)o2)c(Cl)c1 ZINC000569342209 822909736 /nfs/dbraw/zinc/90/97/36/822909736.db2.gz ZIUHYBRWTFRXRV-SFHVURJKSA-N 1 1 394.880 4.216 20 5 GIBDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000055152646 822941540 /nfs/dbraw/zinc/94/15/40/822941540.db2.gz GFNCPLTXZPOFQP-WDEREUQCSA-N 1 1 395.818 4.074 20 5 GIBDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000055152625 822941545 /nfs/dbraw/zinc/94/15/45/822941545.db2.gz QJQJEQSYGAMALM-MNOVXSKESA-N 1 1 395.818 4.074 20 5 GIBDMO Cc1ccc([C@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000175732494 823028691 /nfs/dbraw/zinc/02/86/91/823028691.db2.gz JZUKWZHAIVMGLS-KRWDZBQOSA-N 1 1 398.507 4.304 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CCCO)c3ccccc3)cs2)c1 ZINC000124395251 823593019 /nfs/dbraw/zinc/59/30/19/823593019.db2.gz UHLDLXGUEPVLBL-IBGZPJMESA-N 1 1 383.473 4.322 20 5 GIBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000124603172 823610453 /nfs/dbraw/zinc/61/04/53/823610453.db2.gz NFOCBOALZGBERU-CEXWTWQISA-N 1 1 397.519 4.363 20 5 GIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411991002 823618641 /nfs/dbraw/zinc/61/86/41/823618641.db2.gz WVTMSFOGEYZVCQ-BEFAXECRSA-N 1 1 394.431 4.249 20 5 GIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411991002 823618643 /nfs/dbraw/zinc/61/86/43/823618643.db2.gz WVTMSFOGEYZVCQ-BEFAXECRSA-N 1 1 394.431 4.249 20 5 GIBDMO CC(C)CCSc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000124765649 823624423 /nfs/dbraw/zinc/62/44/23/823624423.db2.gz VEPPMVALZNMAPZ-DOTOQJQBSA-N 1 1 393.553 4.288 20 5 GIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190965828 823631604 /nfs/dbraw/zinc/63/16/04/823631604.db2.gz AHKNSTJPEMUAKZ-AWEZNQCLSA-N 1 1 386.452 4.129 20 5 GIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190965828 823631605 /nfs/dbraw/zinc/63/16/05/823631605.db2.gz AHKNSTJPEMUAKZ-AWEZNQCLSA-N 1 1 386.452 4.129 20 5 GIBDMO NC(=O)c1ccc(C[N@H+]2CC=C(c3cccc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000063762619 823694000 /nfs/dbraw/zinc/69/40/00/823694000.db2.gz ZQXTUYOXIXZCHH-UHFFFAOYSA-N 1 1 387.439 4.136 20 5 GIBDMO NC(=O)c1ccc(C[N@@H+]2CC=C(c3cccc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000063762619 823694001 /nfs/dbraw/zinc/69/40/01/823694001.db2.gz ZQXTUYOXIXZCHH-UHFFFAOYSA-N 1 1 387.439 4.136 20 5 GIBDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125939690 823749235 /nfs/dbraw/zinc/74/92/35/823749235.db2.gz YGFZOZNNGQWXTH-ORAYPTAESA-N 1 1 381.457 4.201 20 5 GIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000126163672 823803115 /nfs/dbraw/zinc/80/31/15/823803115.db2.gz CNLGTGHNEJEPGP-UHFFFAOYSA-N 1 1 399.516 4.055 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@H](O)C[C@H]3c3ccccc3)cs2)c1 ZINC000414488031 823993530 /nfs/dbraw/zinc/99/35/30/823993530.db2.gz QCCCLYNARZVCPV-MOPGFXCFSA-N 1 1 381.457 4.026 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@H](O)C[C@H]3c3ccccc3)cs2)c1 ZINC000414488031 823993533 /nfs/dbraw/zinc/99/35/33/823993533.db2.gz QCCCLYNARZVCPV-MOPGFXCFSA-N 1 1 381.457 4.026 20 5 GIBDMO O=[N+]([O-])c1cccc2nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc21 ZINC001164619862 719075888 /nfs/dbraw/zinc/07/58/88/719075888.db2.gz CSJKCHITXURAFO-GCJKJVERSA-N 1 1 388.471 4.244 20 5 GIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164628845 719088027 /nfs/dbraw/zinc/08/80/27/719088027.db2.gz OZRJUPGEBXPOGF-DENIHFKCSA-N 1 1 388.471 4.244 20 5 GIBDMO c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2ccc3ccc4cccnc4c3n2)c1 ZINC001164730500 720355471 /nfs/dbraw/zinc/35/54/71/720355471.db2.gz ZTUAZIUJYYCRDA-NHCUHLMSSA-N 1 1 381.483 4.031 20 5 GIBDMO C[C@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000187419446 823060141 /nfs/dbraw/zinc/06/01/41/823060141.db2.gz PAFBJLMICOYGJY-JTQLQIEISA-N 1 1 375.226 4.084 20 5 GIBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000120859128 823078575 /nfs/dbraw/zinc/07/85/75/823078575.db2.gz CVMZJBRBXNZUQR-INIZCTEOSA-N 1 1 382.395 4.164 20 5 GIBDMO Cc1nn(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121097669 823117885 /nfs/dbraw/zinc/11/78/85/823117885.db2.gz LUKWFDLFDWULFV-HNNXBMFYSA-N 1 1 391.431 4.231 20 5 GIBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000571002669 823118299 /nfs/dbraw/zinc/11/82/99/823118299.db2.gz NNFFUERUYPYBBB-OKILXGFUSA-N 1 1 387.402 4.285 20 5 GIBDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000121148726 823127472 /nfs/dbraw/zinc/12/74/72/823127472.db2.gz MQYDMMCDUMXEGZ-UHFFFAOYSA-N 1 1 395.484 4.315 20 5 GIBDMO COc1cc(C[N@H+](C)Cc2ccccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000571450214 823184273 /nfs/dbraw/zinc/18/42/73/823184273.db2.gz OVUDVDNHAMZOCN-UHFFFAOYSA-N 1 1 393.443 4.209 20 5 GIBDMO COc1cc(C[N@@H+](C)Cc2ccccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000571450214 823184275 /nfs/dbraw/zinc/18/42/75/823184275.db2.gz OVUDVDNHAMZOCN-UHFFFAOYSA-N 1 1 393.443 4.209 20 5 GIBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459649578 823238560 /nfs/dbraw/zinc/23/85/60/823238560.db2.gz MELXFAXQYLYUEZ-IVZVJUQRSA-N 1 1 384.398 4.289 20 5 GIBDMO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)ccc2c1 ZINC000409652973 823274578 /nfs/dbraw/zinc/27/45/78/823274578.db2.gz RJXYLUFHWBCATG-MRXNPFEDSA-N 1 1 377.448 4.060 20 5 GIBDMO COc1ccccc1[C@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000015128564 818293353 /nfs/dbraw/zinc/29/33/53/818293353.db2.gz PRKNMDKOVDJNTK-FQEVSTJZSA-N 1 1 383.448 4.055 20 5 GIBDMO COc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1OC(F)F ZINC000016423910 818441246 /nfs/dbraw/zinc/44/12/46/818441246.db2.gz LFYXNQSMSALTQD-UHFFFAOYSA-N 1 1 378.375 4.369 20 5 GIBDMO COc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1OC(F)F ZINC000016423910 818441251 /nfs/dbraw/zinc/44/12/51/818441251.db2.gz LFYXNQSMSALTQD-UHFFFAOYSA-N 1 1 378.375 4.369 20 5 GIBDMO CC(C)CC[NH+](CCC(C)C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000057821243 823337719 /nfs/dbraw/zinc/33/77/19/823337719.db2.gz RPKTUKGKIFZWQM-UHFFFAOYSA-N 1 1 386.496 4.170 20 5 GIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1cccc(Cl)c1 ZINC000016632260 818461171 /nfs/dbraw/zinc/46/11/71/818461171.db2.gz VWNJWBXZTCWDLX-LLVKDONJSA-N 1 1 382.247 4.361 20 5 GIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000016632260 818461176 /nfs/dbraw/zinc/46/11/76/818461176.db2.gz VWNJWBXZTCWDLX-LLVKDONJSA-N 1 1 382.247 4.361 20 5 GIBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1(c2ccccc2)CC1 ZINC000189295560 823389044 /nfs/dbraw/zinc/38/90/44/823389044.db2.gz FZYBSPGHZRIUSC-UHFFFAOYSA-N 1 1 377.444 4.456 20 5 GIBDMO C[N@@H+](Cc1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000025154619 819936404 /nfs/dbraw/zinc/93/64/04/819936404.db2.gz CRKCNAABNRSGIQ-UHFFFAOYSA-N 1 1 397.475 4.377 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(Cc4ccccc4)CC3)n2)c1 ZINC000025911645 820037994 /nfs/dbraw/zinc/03/79/94/820037994.db2.gz ZYLDRJBACJVTLU-UHFFFAOYSA-N 1 1 378.432 4.100 20 5 GIBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000026335779 820085527 /nfs/dbraw/zinc/08/55/27/820085527.db2.gz AFVVFVLCHPEVPP-ZDUSSCGKSA-N 1 1 395.381 4.381 20 5 GIBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000026335779 820085535 /nfs/dbraw/zinc/08/55/35/820085535.db2.gz AFVVFVLCHPEVPP-ZDUSSCGKSA-N 1 1 395.381 4.381 20 5 GIBDMO COc1cc(C[N@H+](C)CCOc2ccccc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000027374207 820233707 /nfs/dbraw/zinc/23/37/07/820233707.db2.gz OMXPISRCFMXWBO-UHFFFAOYSA-N 1 1 396.390 4.024 20 5 GIBDMO COc1cc(C[N@@H+](C)CCOc2ccccc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000027374207 820233713 /nfs/dbraw/zinc/23/37/13/820233713.db2.gz OMXPISRCFMXWBO-UHFFFAOYSA-N 1 1 396.390 4.024 20 5 GIBDMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029635306 820489102 /nfs/dbraw/zinc/48/91/02/820489102.db2.gz PUZCEMVBMZKIJN-UHFFFAOYSA-N 1 1 394.884 4.333 20 5 GIBDMO Cc1cccc(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000059410382 823495581 /nfs/dbraw/zinc/49/55/81/823495581.db2.gz PMKZHIZTYVRJDE-CALCHBBNSA-N 1 1 395.503 4.311 20 5 GIBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180862286 821500432 /nfs/dbraw/zinc/50/04/32/821500432.db2.gz WYERUOCTMALSDG-STQMWFEESA-N 1 1 380.876 4.023 20 5 GIBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000180870798 821504728 /nfs/dbraw/zinc/50/47/28/821504728.db2.gz IXDJVBWLPBIFBY-HIFRSBDPSA-N 1 1 376.840 4.243 20 5 GIBDMO C[C@H](CCO)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000180976486 821568432 /nfs/dbraw/zinc/56/84/32/821568432.db2.gz HMQWCTNPFWSTBB-QGZVFWFLSA-N 1 1 395.459 4.065 20 5 GIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181664114 821931145 /nfs/dbraw/zinc/93/11/45/821931145.db2.gz OUKMDQQGPOKWQB-GJZGRUSLSA-N 1 1 391.537 4.090 20 5 GIBDMO Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000183470742 822480000 /nfs/dbraw/zinc/48/00/00/822480000.db2.gz POWHBYHXEIZHOO-KRWDZBQOSA-N 1 1 378.432 4.251 20 5 GIBDMO CC1(O)CC[NH+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000179721752 822535112 /nfs/dbraw/zinc/53/51/12/822535112.db2.gz TVXVLQCTROUZEH-UHFFFAOYSA-N 1 1 376.840 4.387 20 5 GIBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000047187865 822552618 /nfs/dbraw/zinc/55/26/18/822552618.db2.gz DAWFEBQNLOVEGL-CQSZACIVSA-N 1 1 375.494 4.051 20 5 GIBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2cccnc2-n2cccn2)c2ccccc2)c1 ZINC000180085007 822611989 /nfs/dbraw/zinc/61/19/89/822611989.db2.gz WGOXVGPBNOZPRQ-NRFANRHFSA-N 1 1 385.427 4.055 20 5 GIBDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1nc(C)cs1 ZINC000184419421 822631701 /nfs/dbraw/zinc/63/17/01/822631701.db2.gz CGGUHGRCJMPTMO-ZWNOBZJWSA-N 1 1 382.873 4.081 20 5 GIBDMO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180448291 822684036 /nfs/dbraw/zinc/68/40/36/822684036.db2.gz KKEMRMPMUVGSIX-CHWSQXEVSA-N 1 1 395.415 4.221 20 5 GIBDMO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180448254 822684046 /nfs/dbraw/zinc/68/40/46/822684046.db2.gz KKEMRMPMUVGSIX-OLZOCXBDSA-N 1 1 395.415 4.221 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184881940 822706428 /nfs/dbraw/zinc/70/64/28/822706428.db2.gz UFKXCQPLRQNXTH-OAHLLOKOSA-N 1 1 394.431 4.238 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000175086329 822879876 /nfs/dbraw/zinc/87/98/76/822879876.db2.gz AZYONXPLIVEROT-UHFFFAOYSA-N 1 1 399.491 4.005 20 5 GIBDMO Cc1c(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000569158325 822885580 /nfs/dbraw/zinc/88/55/80/822885580.db2.gz TVBWUKWSMLVXHM-LJQANCHMSA-N 1 1 396.491 4.327 20 5 GIBDMO COc1ccc(-c2ccc(C[NH2+][C@H]3c4ccccc4O[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000570076044 823003728 /nfs/dbraw/zinc/00/37/28/823003728.db2.gz SDWQSHPSERZPAC-LRTDBIEQSA-N 1 1 380.400 4.475 20 5 GIBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000570247493 823018886 /nfs/dbraw/zinc/01/88/86/823018886.db2.gz COGALFXVTMXOFU-IRXDYDNUSA-N 1 1 397.475 4.118 20 5 GIBDMO Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000570297760 823023503 /nfs/dbraw/zinc/02/35/03/823023503.db2.gz GNKKRZVRTRYBOG-UHFFFAOYSA-N 1 1 392.381 4.175 20 5 GIBDMO Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000570297760 823023505 /nfs/dbraw/zinc/02/35/05/823023505.db2.gz GNKKRZVRTRYBOG-UHFFFAOYSA-N 1 1 392.381 4.175 20 5 GIBDMO CC(C)c1ccc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000570418555 823035103 /nfs/dbraw/zinc/03/51/03/823035103.db2.gz DLVZTEARMBHXOS-NRFANRHFSA-N 1 1 378.476 4.373 20 5 GIBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175785594 823039740 /nfs/dbraw/zinc/03/97/40/823039740.db2.gz GUUHNTKUXDVVMP-UHFFFAOYSA-N 1 1 391.880 4.049 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000175796358 823042481 /nfs/dbraw/zinc/04/24/81/823042481.db2.gz PWBVUVITMDLIET-LBPRGKRZSA-N 1 1 384.823 4.233 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000411119777 823549586 /nfs/dbraw/zinc/54/95/86/823549586.db2.gz LOFUUVNYCQWGSS-IBGZPJMESA-N 1 1 383.448 4.078 20 5 GIBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCCC3)nc2c1 ZINC000412010220 823622285 /nfs/dbraw/zinc/62/22/85/823622285.db2.gz PSHRWTAEBHSBKL-NRFANRHFSA-N 1 1 394.475 4.245 20 5 GIBDMO CCOc1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000412015367 823622838 /nfs/dbraw/zinc/62/28/38/823622838.db2.gz SKSQLLSJRLLLEK-OAQYLSRUSA-N 1 1 382.460 4.347 20 5 GIBDMO CCOc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000412015367 823622841 /nfs/dbraw/zinc/62/28/41/823622841.db2.gz SKSQLLSJRLLLEK-OAQYLSRUSA-N 1 1 382.460 4.347 20 5 GIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412202298 823635348 /nfs/dbraw/zinc/63/53/48/823635348.db2.gz ZTDUJMVJIRQAKC-VOQZNFBZSA-N 1 1 399.535 4.201 20 5 GIBDMO C[C@@]1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000163361405 823704060 /nfs/dbraw/zinc/70/40/60/823704060.db2.gz KFBOCQNLDRLSBV-FQEVSTJZSA-N 1 1 387.867 4.033 20 5 GIBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125777298 823707906 /nfs/dbraw/zinc/70/79/06/823707906.db2.gz WDJXTQZXXOGMLV-INIZCTEOSA-N 1 1 393.553 4.193 20 5 GIBDMO O=[N+]([O-])c1ccc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c2cccnc21 ZINC000413276943 823743902 /nfs/dbraw/zinc/74/39/02/823743902.db2.gz ZOPXCUIDMAXUAQ-UHFFFAOYSA-N 1 1 377.448 4.060 20 5 GIBDMO Cc1ccc(C(C)(C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000574539717 823759373 /nfs/dbraw/zinc/75/93/73/823759373.db2.gz AQEKETDSWDHALK-FQEVSTJZSA-N 1 1 378.476 4.294 20 5 GIBDMO Cc1ccccc1C(C)(C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000574539956 823759510 /nfs/dbraw/zinc/75/95/10/823759510.db2.gz PMNKUQFNWHFTME-FQEVSTJZSA-N 1 1 378.476 4.294 20 5 GIBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)cc1 ZINC000126056308 823777042 /nfs/dbraw/zinc/77/70/42/823777042.db2.gz DATDVLXUGBGMKY-UHFFFAOYSA-N 1 1 387.180 4.249 20 5 GIBDMO Cc1cc(Cl)ccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350478 823798983 /nfs/dbraw/zinc/79/89/83/823798983.db2.gz GUWSWPTTZUPSBR-UHFFFAOYSA-N 1 1 375.856 4.406 20 5 GIBDMO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350478 823798988 /nfs/dbraw/zinc/79/89/88/823798988.db2.gz GUWSWPTTZUPSBR-UHFFFAOYSA-N 1 1 375.856 4.406 20 5 GIBDMO COc1ccc2c(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc(=O)oc2c1 ZINC000064350411 823799002 /nfs/dbraw/zinc/79/90/02/823799002.db2.gz PWJJLZUWIUAARA-UHFFFAOYSA-N 1 1 382.416 4.120 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000165186537 823838605 /nfs/dbraw/zinc/83/86/05/823838605.db2.gz HOZDLRVPECFYLW-CYBMUJFWSA-N 1 1 377.391 4.203 20 5 GIBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000165465944 823849881 /nfs/dbraw/zinc/84/98/81/823849881.db2.gz ZMVFQGHBGSAGSQ-CVEARBPZSA-N 1 1 380.448 4.241 20 5 GIBDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000126411756 823860519 /nfs/dbraw/zinc/86/05/19/823860519.db2.gz VPKQWTSZWPOATG-HXUWFJFHSA-N 1 1 382.416 4.029 20 5 GIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000575612492 823979169 /nfs/dbraw/zinc/97/91/69/823979169.db2.gz RKVDPMSLJJREMH-ALOPSCKCSA-N 1 1 398.438 4.051 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@H](c4cccc(F)c4)C3)o2)c1 ZINC000170917141 824004675 /nfs/dbraw/zinc/00/46/75/824004675.db2.gz CKZHWVNDCNRRBN-HXUWFJFHSA-N 1 1 397.406 4.005 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H](c4cccc(F)c4)C3)o2)c1 ZINC000170917141 824004679 /nfs/dbraw/zinc/00/46/79/824004679.db2.gz CKZHWVNDCNRRBN-HXUWFJFHSA-N 1 1 397.406 4.005 20 5 GIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000192524256 824019529 /nfs/dbraw/zinc/01/95/29/824019529.db2.gz DPUIIWPLWWCUOP-IRXDYDNUSA-N 1 1 397.475 4.073 20 5 GIBDMO CSCC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nnc2ccccn21 ZINC000192622657 824047534 /nfs/dbraw/zinc/04/75/34/824047534.db2.gz MGSHVAOQZKLYQZ-MSOLQXFVSA-N 1 1 397.504 4.099 20 5 GIBDMO C[C@@H]1C[C@@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[NH2+]1 ZINC000414943914 824052778 /nfs/dbraw/zinc/05/27/78/824052778.db2.gz FXASKVMNPBCQKZ-CJNGLKHVSA-N 1 1 375.856 4.271 20 5 GIBDMO O=[N+]([O-])c1ccc2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2c1 ZINC001164623633 719071202 /nfs/dbraw/zinc/07/12/02/719071202.db2.gz KASLHRQILKXKKK-UGKGYDQZSA-N 1 1 388.471 4.244 20 5 GIBDMO O=[N+]([O-])c1cccc2nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccc21 ZINC001164619865 719075855 /nfs/dbraw/zinc/07/58/55/719075855.db2.gz CSJKCHITXURAFO-PGRDOPGGSA-N 1 1 388.471 4.244 20 5 GIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121298934 823158044 /nfs/dbraw/zinc/15/80/44/823158044.db2.gz DLAPHPLUEFBOAA-GOEBONIOSA-N 1 1 396.422 4.410 20 5 GIBDMO C[C@@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176721879 823276777 /nfs/dbraw/zinc/27/67/77/823276777.db2.gz OPHUTRDLRDTPQK-ZBFHGGJFSA-N 1 1 387.867 4.031 20 5 GIBDMO O=C(CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000121947397 823282764 /nfs/dbraw/zinc/28/27/64/823282764.db2.gz MRWPYIHPJGPAMX-QGZVFWFLSA-N 1 1 396.472 4.370 20 5 GIBDMO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000006649468 817715061 /nfs/dbraw/zinc/71/50/61/817715061.db2.gz CAIGBNKKXYPOTD-ZDUSSCGKSA-N 1 1 391.855 4.106 20 5 GIBDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000006649468 817715062 /nfs/dbraw/zinc/71/50/62/817715062.db2.gz CAIGBNKKXYPOTD-ZDUSSCGKSA-N 1 1 391.855 4.106 20 5 GIBDMO O=C(CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000122052002 823299177 /nfs/dbraw/zinc/29/91/77/823299177.db2.gz OTIZAXKMAZCBOP-QGZVFWFLSA-N 1 1 396.472 4.370 20 5 GIBDMO Cc1cccc(OCC[N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000015100636 818290256 /nfs/dbraw/zinc/29/02/56/818290256.db2.gz RXGYKAQCMZFXPF-OAHLLOKOSA-N 1 1 382.420 4.025 20 5 GIBDMO Cc1cccc(OCC[N@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000015100636 818290262 /nfs/dbraw/zinc/29/02/62/818290262.db2.gz RXGYKAQCMZFXPF-OAHLLOKOSA-N 1 1 382.420 4.025 20 5 GIBDMO O=[N+]([O-])c1cccc(CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000022994854 818886325 /nfs/dbraw/zinc/88/63/25/818886325.db2.gz ZVNIICSQUVQULL-UHFFFAOYSA-N 1 1 393.409 4.322 20 5 GIBDMO CCOc1ccccc1C1=CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000410024860 823373626 /nfs/dbraw/zinc/37/36/26/823373626.db2.gz GSFGCMZSJOYSHI-UHFFFAOYSA-N 1 1 395.459 4.111 20 5 GIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000058350568 823381319 /nfs/dbraw/zinc/38/13/19/823381319.db2.gz DARZDRAMPJIKCO-UHFFFAOYSA-N 1 1 375.856 4.018 20 5 GIBDMO C[N@@H+](Cc1ccccc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000025252123 819950597 /nfs/dbraw/zinc/95/05/97/819950597.db2.gz FRKDSDSJGYXQPN-UHFFFAOYSA-N 1 1 396.491 4.070 20 5 GIBDMO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]Cc3csc([N+](=O)[O-])c3)cc2C1 ZINC000189576967 823449085 /nfs/dbraw/zinc/44/90/85/823449085.db2.gz SBKFKGHARVWYKF-UHFFFAOYSA-N 1 1 389.477 4.197 20 5 GIBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC12CC3CC(CC(C3)C1)C2 ZINC000027782519 820286759 /nfs/dbraw/zinc/28/67/59/820286759.db2.gz SOYLYOLJTHWDAD-UHFFFAOYSA-N 1 1 382.464 4.293 20 5 GIBDMO Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000058952499 823474988 /nfs/dbraw/zinc/47/49/88/823474988.db2.gz OCNOKHARTWONKR-INIZCTEOSA-N 1 1 381.476 4.208 20 5 GIBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])s3)cc2)C1 ZINC000059057283 823484903 /nfs/dbraw/zinc/48/49/03/823484903.db2.gz VXACSBZPQWOPIK-GASCZTMLSA-N 1 1 387.505 4.064 20 5 GIBDMO CC[C@@](C)(O)C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000189739093 823485184 /nfs/dbraw/zinc/48/51/84/823485184.db2.gz HHTFRWVADJVZEC-JOCHJYFZSA-N 1 1 395.459 4.413 20 5 GIBDMO COc1cc(C[N@H+](C)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000029810862 820522718 /nfs/dbraw/zinc/52/27/18/820522718.db2.gz UGTNRLVLXSOGQZ-OAHLLOKOSA-N 1 1 378.375 4.324 20 5 GIBDMO COc1cc(C[N@@H+](C)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000029810862 820522725 /nfs/dbraw/zinc/52/27/25/820522725.db2.gz UGTNRLVLXSOGQZ-OAHLLOKOSA-N 1 1 378.375 4.324 20 5 GIBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000039564043 821115920 /nfs/dbraw/zinc/11/59/20/821115920.db2.gz CCAMXAPJGSYLCS-UHFFFAOYSA-N 1 1 375.494 4.002 20 5 GIBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000041934639 821247445 /nfs/dbraw/zinc/24/74/45/821247445.db2.gz JRUCVYVWDAFLFB-UHFFFAOYSA-N 1 1 382.464 4.315 20 5 GIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000043643597 821435338 /nfs/dbraw/zinc/43/53/38/821435338.db2.gz OVEOTBKPWQNPCG-GFCCVEGCSA-N 1 1 381.354 4.073 20 5 GIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000043643597 821435342 /nfs/dbraw/zinc/43/53/42/821435342.db2.gz OVEOTBKPWQNPCG-GFCCVEGCSA-N 1 1 381.354 4.073 20 5 GIBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000180866010 821502353 /nfs/dbraw/zinc/50/23/53/821502353.db2.gz IWRZJBDNTPXBHV-ZFWWWQNUSA-N 1 1 376.840 4.243 20 5 GIBDMO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000182667035 822345067 /nfs/dbraw/zinc/34/50/67/822345067.db2.gz BPBDDHZYACVDDP-HNNXBMFYSA-N 1 1 395.406 4.225 20 5 GIBDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000182667035 822345077 /nfs/dbraw/zinc/34/50/77/822345077.db2.gz BPBDDHZYACVDDP-HNNXBMFYSA-N 1 1 395.406 4.225 20 5 GIBDMO Cc1sc2[nH]c([C@H](C)[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000178688583 822403217 /nfs/dbraw/zinc/40/32/17/822403217.db2.gz CTWQFRZZXUJKRG-RYUDHWBXSA-N 1 1 386.477 4.230 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000178729845 822405963 /nfs/dbraw/zinc/40/59/63/822405963.db2.gz GYPXSUAEQZWFFN-SNVBAGLBSA-N 1 1 383.217 4.356 20 5 GIBDMO CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000183458831 822478112 /nfs/dbraw/zinc/47/81/12/822478112.db2.gz ITPFEBNVMYTYIL-UHFFFAOYSA-N 1 1 375.856 4.068 20 5 GIBDMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)n1 ZINC000183553013 822493861 /nfs/dbraw/zinc/49/38/61/822493861.db2.gz GQONVRHGCHRPSF-ZUZCIYMTSA-N 1 1 394.884 4.081 20 5 GIBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1cccc(OC)c1 ZINC000046761825 822514499 /nfs/dbraw/zinc/51/44/99/822514499.db2.gz LPWXRTGZOKFYRI-ZDUSSCGKSA-N 1 1 391.855 4.278 20 5 GIBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1cccc(OC)c1 ZINC000046761825 822514501 /nfs/dbraw/zinc/51/45/01/822514501.db2.gz LPWXRTGZOKFYRI-ZDUSSCGKSA-N 1 1 391.855 4.278 20 5 GIBDMO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1Cl ZINC000183776099 822526726 /nfs/dbraw/zinc/52/67/26/822526726.db2.gz UNXNYENUIPXHEH-SECBINFHSA-N 1 1 386.210 4.330 20 5 GIBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)cc1 ZINC000179691917 822528409 /nfs/dbraw/zinc/52/84/09/822528409.db2.gz UXOUCZCEFVFBMV-NSHDSACASA-N 1 1 393.237 4.075 20 5 GIBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000183789987 822528500 /nfs/dbraw/zinc/52/85/00/822528500.db2.gz NKQGJUNKQZAYID-WDEREUQCSA-N 1 1 395.818 4.074 20 5 GIBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2cccnc2-n2ccnc2)c2ccccc2)c1 ZINC000180086589 822612426 /nfs/dbraw/zinc/61/24/26/822612426.db2.gz ZHCHFTJXHVERQM-NRFANRHFSA-N 1 1 385.427 4.055 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCS[C@H]4COCC[C@@H]43)o2)c(Cl)c1 ZINC000180451947 822684826 /nfs/dbraw/zinc/68/48/26/822684826.db2.gz BRMGVUSDPMTTBS-WMZOPIPTSA-N 1 1 394.880 4.215 20 5 GIBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133518 822747690 /nfs/dbraw/zinc/74/76/90/822747690.db2.gz UKFHDPKXMAMLOG-DYESRHJHSA-N 1 1 398.459 4.061 20 5 GIBDMO C[N@@H+](CCCCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C1CC1 ZINC000457164352 822858242 /nfs/dbraw/zinc/85/82/42/822858242.db2.gz IXFJXBBBAKFFAI-UHFFFAOYSA-N 1 1 399.516 4.350 20 5 GIBDMO CC(C)c1ccc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000569829842 822973737 /nfs/dbraw/zinc/97/37/37/822973737.db2.gz PQWPJIAGHUOXEV-UHFFFAOYSA-N 1 1 391.475 4.464 20 5 GIBDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000570150972 823010780 /nfs/dbraw/zinc/01/07/80/823010780.db2.gz PKRAPHOPMHUTGA-DVMWJLJYSA-N 1 1 399.491 4.401 20 5 GIBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000187324398 823043758 /nfs/dbraw/zinc/04/37/58/823043758.db2.gz RARFERPVRFKVNV-KRWDZBQOSA-N 1 1 389.883 4.135 20 5 GIBDMO CC[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411172349 823554119 /nfs/dbraw/zinc/55/41/19/823554119.db2.gz HDOMEDDPQMGZNH-INIZCTEOSA-N 1 1 389.477 4.003 20 5 GIBDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000412042631 823624122 /nfs/dbraw/zinc/62/41/22/823624122.db2.gz OGBAYKZBPXAFES-CYBMUJFWSA-N 1 1 391.855 4.024 20 5 GIBDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000412042631 823624125 /nfs/dbraw/zinc/62/41/25/823624125.db2.gz OGBAYKZBPXAFES-CYBMUJFWSA-N 1 1 391.855 4.024 20 5 GIBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2csc(Br)c2)C2CC2)c1 ZINC000125222704 823660255 /nfs/dbraw/zinc/66/02/55/823660255.db2.gz NGEJVGVIRZYVJT-HNNXBMFYSA-N 1 1 397.294 4.117 20 5 GIBDMO C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000413216321 823730270 /nfs/dbraw/zinc/73/02/70/823730270.db2.gz RCXJKLOZKWHQTN-MEDUHNTESA-N 1 1 382.798 4.026 20 5 GIBDMO C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000413216321 823730274 /nfs/dbraw/zinc/73/02/74/823730274.db2.gz RCXJKLOZKWHQTN-MEDUHNTESA-N 1 1 382.798 4.026 20 5 GIBDMO C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000413216322 823730410 /nfs/dbraw/zinc/73/04/10/823730410.db2.gz RCXJKLOZKWHQTN-ZBEGNZNMSA-N 1 1 382.798 4.026 20 5 GIBDMO C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000413216322 823730416 /nfs/dbraw/zinc/73/04/16/823730416.db2.gz RCXJKLOZKWHQTN-ZBEGNZNMSA-N 1 1 382.798 4.026 20 5 GIBDMO O=[N+]([O-])c1ccc2ccnc(N3CCC(c4[nH+]cc5n4CCCC5)CC3)c2c1 ZINC000413259363 823740138 /nfs/dbraw/zinc/74/01/38/823740138.db2.gz CYZIZNWSFDTLKN-UHFFFAOYSA-N 1 1 377.448 4.060 20 5 GIBDMO CC(C)[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350049 823798625 /nfs/dbraw/zinc/79/86/25/823798625.db2.gz QSBBEBJKFZWQRN-UHFFFAOYSA-N 1 1 396.491 4.044 20 5 GIBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350049 823798630 /nfs/dbraw/zinc/79/86/30/823798630.db2.gz QSBBEBJKFZWQRN-UHFFFAOYSA-N 1 1 396.491 4.044 20 5 GIBDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000126420885 823862350 /nfs/dbraw/zinc/86/23/50/823862350.db2.gz XRIGNAHCWDKUPX-HXUWFJFHSA-N 1 1 382.416 4.029 20 5 GIBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000575158815 823926750 /nfs/dbraw/zinc/92/67/50/823926750.db2.gz GICXPQVODSBTIO-BETUJISGSA-N 1 1 384.358 4.198 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@H](c4ccc(F)cc4)C3)o2)c1 ZINC000170908452 824004215 /nfs/dbraw/zinc/00/42/15/824004215.db2.gz UWJYUIHOIMFOEQ-HXUWFJFHSA-N 1 1 397.406 4.005 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H](c4ccc(F)cc4)C3)o2)c1 ZINC000170908452 824004223 /nfs/dbraw/zinc/00/42/23/824004223.db2.gz UWJYUIHOIMFOEQ-HXUWFJFHSA-N 1 1 397.406 4.005 20 5 GIBDMO C[C@H]1C[C@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[NH2+]1 ZINC000414943919 824052893 /nfs/dbraw/zinc/05/28/93/824052893.db2.gz FXASKVMNPBCQKZ-XJKSGUPXSA-N 1 1 375.856 4.271 20 5 GIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628846 719087757 /nfs/dbraw/zinc/08/77/57/719087757.db2.gz OZRJUPGEBXPOGF-KNQAVFIVSA-N 1 1 388.471 4.244 20 5 GIBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995293 722192589 /nfs/dbraw/zinc/19/25/89/722192589.db2.gz UAHUKXOZEAXLDC-LJQANCHMSA-N 1 1 390.846 4.027 20 5 GIBDMO CN1CCC([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000121196243 823136641 /nfs/dbraw/zinc/13/66/41/823136641.db2.gz AJQJJBFFTVGDCE-UHFFFAOYSA-N 1 1 375.856 4.224 20 5 GIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cncc(F)c2)cc1OC ZINC000459623406 823231416 /nfs/dbraw/zinc/23/14/16/823231416.db2.gz SAWVDWJGYMZIGN-KBPBESRZSA-N 1 1 391.443 4.413 20 5 GIBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459655954 823241497 /nfs/dbraw/zinc/24/14/97/823241497.db2.gz GVPYVCDGYOASOW-OAHLLOKOSA-N 1 1 392.805 4.429 20 5 GIBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459655954 823241500 /nfs/dbraw/zinc/24/15/00/823241500.db2.gz GVPYVCDGYOASOW-OAHLLOKOSA-N 1 1 392.805 4.429 20 5 GIBDMO CC(C)c1ccc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1[N+](=O)[O-] ZINC000459721631 823256385 /nfs/dbraw/zinc/25/63/85/823256385.db2.gz ZCTRZESZIXLSBB-FUHWJXTLSA-N 1 1 376.478 4.143 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H](O)[C@H](C4CCCC4)C3)cs2)c1 ZINC000459771164 823262943 /nfs/dbraw/zinc/26/29/43/823262943.db2.gz SSYBGDTVIVOXLU-RBUKOAKNSA-N 1 1 387.505 4.091 20 5 GIBDMO C[C@@H]1C[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176721380 823276826 /nfs/dbraw/zinc/27/68/26/823276826.db2.gz PGOJZBCDNVQPFH-GDBMZVCRSA-N 1 1 387.867 4.031 20 5 GIBDMO C[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176721853 823276850 /nfs/dbraw/zinc/27/68/50/823276850.db2.gz OPHUTRDLRDTPQK-GDBMZVCRSA-N 1 1 387.867 4.031 20 5 GIBDMO C[C@H]1C[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176721422 823276891 /nfs/dbraw/zinc/27/68/91/823276891.db2.gz PGOJZBCDNVQPFH-HOCLYGCPSA-N 1 1 387.867 4.031 20 5 GIBDMO Cc1ccccc1OCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000015099662 818290388 /nfs/dbraw/zinc/29/03/88/818290388.db2.gz VMWYTLKKBGFCJP-HNNXBMFYSA-N 1 1 382.420 4.025 20 5 GIBDMO Cc1ccccc1OCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000015099662 818290392 /nfs/dbraw/zinc/29/03/92/818290392.db2.gz VMWYTLKKBGFCJP-HNNXBMFYSA-N 1 1 382.420 4.025 20 5 GIBDMO COc1ccc2cc(C[N@H+](C)Cn3ncc4ccc([N+](=O)[O-])cc43)ccc2c1 ZINC000016874918 818485913 /nfs/dbraw/zinc/48/59/13/818485913.db2.gz RACOWKYUUSYAHQ-UHFFFAOYSA-N 1 1 376.416 4.196 20 5 GIBDMO COc1ccc2cc(C[N@@H+](C)Cn3ncc4ccc([N+](=O)[O-])cc43)ccc2c1 ZINC000016874918 818485917 /nfs/dbraw/zinc/48/59/17/818485917.db2.gz RACOWKYUUSYAHQ-UHFFFAOYSA-N 1 1 376.416 4.196 20 5 GIBDMO CC(C)CCSc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000058298881 823376219 /nfs/dbraw/zinc/37/62/19/823376219.db2.gz KPJDCDMJEWWTND-IRXDYDNUSA-N 1 1 391.537 4.090 20 5 GIBDMO CC(=O)c1ccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000026759631 820140481 /nfs/dbraw/zinc/14/04/81/820140481.db2.gz UJDXJFJTVCEZPK-UHFFFAOYSA-N 1 1 389.455 4.273 20 5 GIBDMO C[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000026924332 820165022 /nfs/dbraw/zinc/16/50/22/820165022.db2.gz SJICMYQOEWBRAC-UHFFFAOYSA-N 1 1 382.247 4.362 20 5 GIBDMO C[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000026924332 820165026 /nfs/dbraw/zinc/16/50/26/820165026.db2.gz SJICMYQOEWBRAC-UHFFFAOYSA-N 1 1 382.247 4.362 20 5 GIBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000029897799 820543096 /nfs/dbraw/zinc/54/30/96/820543096.db2.gz WGTZTLUNFARTML-INIZCTEOSA-N 1 1 399.472 4.360 20 5 GIBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000123748875 823537006 /nfs/dbraw/zinc/53/70/06/823537006.db2.gz LMEIFGNPAMRCDL-OAHLLOKOSA-N 1 1 391.537 4.043 20 5 GIBDMO CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000060543871 823540309 /nfs/dbraw/zinc/54/03/09/823540309.db2.gz UJMSIQXWDBNKSO-FXAWDEMLSA-N 1 1 381.476 4.201 20 5 GIBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@@H]2C1 ZINC000180814541 821475210 /nfs/dbraw/zinc/47/52/10/821475210.db2.gz GLOWJXZPROKMQZ-NIKGAXFTSA-N 1 1 388.489 4.092 20 5 GIBDMO Cc1cc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000044877542 821676461 /nfs/dbraw/zinc/67/64/61/821676461.db2.gz LTPBPORKMBOCDJ-MRXNPFEDSA-N 1 1 381.476 4.065 20 5 GIBDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000182092133 822090143 /nfs/dbraw/zinc/09/01/43/822090143.db2.gz LZVBFYISLCAODQ-INIZCTEOSA-N 1 1 380.448 4.043 20 5 GIBDMO CC[C@@H]([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000182487561 822262953 /nfs/dbraw/zinc/26/29/53/822262953.db2.gz KMWOVOIRIALKTO-CYBMUJFWSA-N 1 1 399.394 4.093 20 5 GIBDMO COc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000046156338 822445592 /nfs/dbraw/zinc/44/55/92/822445592.db2.gz CMISKCBSRKADAO-OAHLLOKOSA-N 1 1 383.448 4.088 20 5 GIBDMO Cc1c(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000179252700 822457581 /nfs/dbraw/zinc/45/75/81/822457581.db2.gz VKGMQEXWXQMECK-FUHWJXTLSA-N 1 1 388.855 4.124 20 5 GIBDMO Cc1c(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000179252700 822457582 /nfs/dbraw/zinc/45/75/82/822457582.db2.gz VKGMQEXWXQMECK-FUHWJXTLSA-N 1 1 388.855 4.124 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](Oc4cccc(F)c4)C3)co2)cc1 ZINC000183362748 822463891 /nfs/dbraw/zinc/46/38/91/822463891.db2.gz GFWSQVFKNOBJAJ-LJQANCHMSA-N 1 1 383.379 4.042 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](Oc4cccc(F)c4)C3)co2)cc1 ZINC000183362748 822463894 /nfs/dbraw/zinc/46/38/94/822463894.db2.gz GFWSQVFKNOBJAJ-LJQANCHMSA-N 1 1 383.379 4.042 20 5 GIBDMO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000183675112 822509660 /nfs/dbraw/zinc/50/96/60/822509660.db2.gz IQZRKPMYDJOSBT-ZDUSSCGKSA-N 1 1 377.404 4.081 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[N@H+](C4CCCC4)CC3)cs2)c1 ZINC000179768900 822548676 /nfs/dbraw/zinc/54/86/76/822548676.db2.gz MANFUEXCPNTLBU-UHFFFAOYSA-N 1 1 386.521 4.169 20 5 GIBDMO COc1cc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1F ZINC000184311535 822612634 /nfs/dbraw/zinc/61/26/34/822612634.db2.gz LGFRABLPMDTSNK-JTQLQIEISA-N 1 1 388.317 4.492 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CCO)c3ccco3)o2)c(Cl)c1 ZINC000184510291 822648026 /nfs/dbraw/zinc/64/80/26/822648026.db2.gz YNMIOTXHSAFDLD-MRXNPFEDSA-N 1 1 376.796 4.315 20 5 GIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)s1 ZINC000180455474 822685532 /nfs/dbraw/zinc/68/55/32/822685532.db2.gz JCYXOVKMEKZJFW-WMZOPIPTSA-N 1 1 376.503 4.030 20 5 GIBDMO COc1ccc(C[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1[N+](=O)[O-] ZINC000051532518 822764623 /nfs/dbraw/zinc/76/46/23/822764623.db2.gz KCQRKAKJBIEYQL-UHFFFAOYSA-N 1 1 382.460 4.315 20 5 GIBDMO Cc1cnc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)s1 ZINC000185371736 822773762 /nfs/dbraw/zinc/77/37/62/822773762.db2.gz IXNSUVGDRYMBOD-BONVTDFDSA-N 1 1 394.884 4.081 20 5 GIBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC000174516801 822799950 /nfs/dbraw/zinc/79/99/50/822799950.db2.gz UAYFANTWPCIVIH-MRXNPFEDSA-N 1 1 393.553 4.147 20 5 GIBDMO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1c1cccc(F)c1 ZINC000175148859 822892300 /nfs/dbraw/zinc/89/23/00/822892300.db2.gz PBNIGBLWQPBRQY-DJJJIMSYSA-N 1 1 382.395 4.367 20 5 GIBDMO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1c1cccc(F)c1 ZINC000175148859 822892306 /nfs/dbraw/zinc/89/23/06/822892306.db2.gz PBNIGBLWQPBRQY-DJJJIMSYSA-N 1 1 382.395 4.367 20 5 GIBDMO CSc1cccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1[N+](=O)[O-] ZINC000186735292 822947230 /nfs/dbraw/zinc/94/72/30/822947230.db2.gz PHXVHFUOZAPKNE-CYBMUJFWSA-N 1 1 396.472 4.302 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000569756433 822964359 /nfs/dbraw/zinc/96/43/59/822964359.db2.gz HHJLVKXXFKCCBW-UHFFFAOYSA-N 1 1 388.427 4.113 20 5 GIBDMO CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC(C)(C)C1 ZINC000570326634 823026127 /nfs/dbraw/zinc/02/61/27/823026127.db2.gz WBBNLNRPPGVYNI-KRWDZBQOSA-N 1 1 375.494 4.498 20 5 GIBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000190197152 823549638 /nfs/dbraw/zinc/54/96/38/823549638.db2.gz RZUZTCCTXAWTHN-OAHLLOKOSA-N 1 1 387.402 4.142 20 5 GIBDMO COc1ccc(C(=O)C2CC[NH+](CC=Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000124011395 823559827 /nfs/dbraw/zinc/55/98/27/823559827.db2.gz NCGULVZRPUKHLS-GQCTYLIASA-N 1 1 380.444 4.212 20 5 GIBDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000190469382 823578635 /nfs/dbraw/zinc/57/86/35/823578635.db2.gz PPINNWQDGNULAM-UHFFFAOYSA-N 1 1 377.404 4.148 20 5 GIBDMO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000190469382 823578642 /nfs/dbraw/zinc/57/86/42/823578642.db2.gz PPINNWQDGNULAM-UHFFFAOYSA-N 1 1 377.404 4.148 20 5 GIBDMO CCOc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000412015364 823622923 /nfs/dbraw/zinc/62/29/23/823622923.db2.gz SKSQLLSJRLLLEK-NRFANRHFSA-N 1 1 382.460 4.347 20 5 GIBDMO CCOc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000412015364 823622925 /nfs/dbraw/zinc/62/29/25/823622925.db2.gz SKSQLLSJRLLLEK-NRFANRHFSA-N 1 1 382.460 4.347 20 5 GIBDMO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000124858239 823631555 /nfs/dbraw/zinc/63/15/55/823631555.db2.gz ZMMADBBFDJMPBY-KGLIPLIRSA-N 1 1 382.420 4.455 20 5 GIBDMO COc1cccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000063484286 823675595 /nfs/dbraw/zinc/67/55/95/823675595.db2.gz JSWAARJGVGUZJA-FQEVSTJZSA-N 1 1 383.448 4.078 20 5 GIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191397986 823680561 /nfs/dbraw/zinc/68/05/61/823680561.db2.gz RENLFRCEMSARSJ-LJQANCHMSA-N 1 1 396.491 4.197 20 5 GIBDMO Cc1ccc([C@@H](C)NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1C ZINC000064350300 823798517 /nfs/dbraw/zinc/79/85/17/823798517.db2.gz RMNOYKHKQUIQCR-GOSISDBHSA-N 1 1 383.492 4.299 20 5 GIBDMO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1C ZINC000064350300 823798520 /nfs/dbraw/zinc/79/85/20/823798520.db2.gz RMNOYKHKQUIQCR-GOSISDBHSA-N 1 1 383.492 4.299 20 5 GIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000462237186 823888969 /nfs/dbraw/zinc/88/89/69/823888969.db2.gz SKRRLEHDHJEGJR-UHFFFAOYSA-N 1 1 386.452 4.022 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@@H](O)C[C@H]3c3ccccc3)cs2)c1 ZINC000414488033 823993675 /nfs/dbraw/zinc/99/36/75/823993675.db2.gz QCCCLYNARZVCPV-OALUTQOASA-N 1 1 381.457 4.026 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@@H](O)C[C@H]3c3ccccc3)cs2)c1 ZINC000414488033 823993678 /nfs/dbraw/zinc/99/36/78/823993678.db2.gz QCCCLYNARZVCPV-OALUTQOASA-N 1 1 381.457 4.026 20 5 GIBDMO C[C@H]1C[C@@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[NH2+]1 ZINC000414943910 824052690 /nfs/dbraw/zinc/05/26/90/824052690.db2.gz FXASKVMNPBCQKZ-BBRMVZONSA-N 1 1 375.856 4.271 20 5 GIBDMO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CCO2 ZINC000187548060 823086427 /nfs/dbraw/zinc/08/64/27/823086427.db2.gz XVOQQSGGCSGPJV-INIZCTEOSA-N 1 1 394.374 4.208 20 5 GIBDMO COCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Cc1cccnc1 ZINC000571090378 823130907 /nfs/dbraw/zinc/13/09/07/823130907.db2.gz DAWXGMWBBZTARO-UHFFFAOYSA-N 1 1 383.473 4.367 20 5 GIBDMO COCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Cc1cccnc1 ZINC000571090378 823130909 /nfs/dbraw/zinc/13/09/09/823130909.db2.gz DAWXGMWBBZTARO-UHFFFAOYSA-N 1 1 383.473 4.367 20 5 GIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000176223763 823156802 /nfs/dbraw/zinc/15/68/02/823156802.db2.gz BSKQUOCJWRKRKS-KRWDZBQOSA-N 1 1 390.871 4.289 20 5 GIBDMO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000571942018 823258013 /nfs/dbraw/zinc/25/80/13/823258013.db2.gz NANIHSHJFPZELU-BRIRTLKKSA-N 1 1 393.487 4.010 20 5 GIBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176723328 823277528 /nfs/dbraw/zinc/27/75/28/823277528.db2.gz QHDQUAHPFXGEGE-GOEBONIOSA-N 1 1 387.867 4.031 20 5 GIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000057449362 823298548 /nfs/dbraw/zinc/29/85/48/823298548.db2.gz IUIIGGSERZPXCT-UHFFFAOYSA-N 1 1 375.428 4.221 20 5 GIBDMO Cc1cccc(C([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2cccc(C)c2)c1 ZINC000176885802 823317621 /nfs/dbraw/zinc/31/76/21/823317621.db2.gz WLJSXMOCLUPVKX-UHFFFAOYSA-N 1 1 389.455 4.190 20 5 GIBDMO Cc1ccc(OCC[N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000015102760 818291087 /nfs/dbraw/zinc/29/10/87/818291087.db2.gz GLWWTVXBKDHYGN-HNNXBMFYSA-N 1 1 382.420 4.025 20 5 GIBDMO Cc1ccc(OCC[N@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000015102760 818291092 /nfs/dbraw/zinc/29/10/92/818291092.db2.gz GLWWTVXBKDHYGN-HNNXBMFYSA-N 1 1 382.420 4.025 20 5 GIBDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000409865329 823329865 /nfs/dbraw/zinc/32/98/65/823329865.db2.gz RMWDDEPARKPHDF-ZDUSSCGKSA-N 1 1 384.461 4.226 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000058520769 823403265 /nfs/dbraw/zinc/40/32/65/823403265.db2.gz INVFAOYHIDQVMO-MRXNPFEDSA-N 1 1 396.491 4.457 20 5 GIBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000026250360 820074823 /nfs/dbraw/zinc/07/48/23/820074823.db2.gz KGQZANZGYDBFEU-UHFFFAOYSA-N 1 1 393.443 4.217 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccc(C)s1)C(C)C ZINC000060041971 823505804 /nfs/dbraw/zinc/50/58/04/823505804.db2.gz CKAGSBFYNHYKLU-UHFFFAOYSA-N 1 1 391.493 4.213 20 5 GIBDMO Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000044831040 821669353 /nfs/dbraw/zinc/66/93/53/821669353.db2.gz HJAHKZZSRGDZGL-INIZCTEOSA-N 1 1 382.464 4.251 20 5 GIBDMO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178643599 822398899 /nfs/dbraw/zinc/39/88/99/822398899.db2.gz YLCWXQKUCMIUHC-KURKYZTESA-N 1 1 383.492 4.055 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000178729088 822405914 /nfs/dbraw/zinc/40/59/14/822405914.db2.gz LXHHQEQJWMXXTA-ZDUSSCGKSA-N 1 1 384.411 4.087 20 5 GIBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCCO1 ZINC000179398179 822476824 /nfs/dbraw/zinc/47/68/24/822476824.db2.gz XTBHBRMJGZVFOS-GFCCVEGCSA-N 1 1 395.253 4.228 20 5 GIBDMO COc1cc(C[N@H+](Cc2ccccc2)CC2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184212998 822597061 /nfs/dbraw/zinc/59/70/61/822597061.db2.gz IKNUUVFUVQXAAV-UHFFFAOYSA-N 1 1 388.439 4.171 20 5 GIBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccnc(N3CCCC3)c2)c2ccccc2)c1 ZINC000180065128 822607517 /nfs/dbraw/zinc/60/75/17/822607517.db2.gz BUTVUTXCDBMULH-QHCPKHFHSA-N 1 1 388.471 4.469 20 5 GIBDMO COc1cccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1OC ZINC000180168349 822631367 /nfs/dbraw/zinc/63/13/67/822631367.db2.gz IALQCZDJMVJNQE-OAQYLSRUSA-N 1 1 378.428 4.491 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000184626823 822667733 /nfs/dbraw/zinc/66/77/33/822667733.db2.gz HBXIEMGFTICFEA-KBPBESRZSA-N 1 1 396.422 4.209 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180561659 822702874 /nfs/dbraw/zinc/70/28/74/822702874.db2.gz CRPRDQWZRXVZBI-INIZCTEOSA-N 1 1 399.344 4.264 20 5 GIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133492 822747809 /nfs/dbraw/zinc/74/78/09/822747809.db2.gz VYQOMFSMLDECPH-PLMTUMEDSA-N 1 1 397.475 4.022 20 5 GIBDMO Cc1cnc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)s1 ZINC000185371772 822773768 /nfs/dbraw/zinc/77/37/68/822773768.db2.gz IXNSUVGDRYMBOD-BMIGLBTASA-N 1 1 394.884 4.081 20 5 GIBDMO Cc1ccc(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000174450673 822791495 /nfs/dbraw/zinc/79/14/95/822791495.db2.gz LIKQXNIHBVIEHG-UHFFFAOYSA-N 1 1 379.460 4.418 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1csc2ccccc12 ZINC000052806024 822811327 /nfs/dbraw/zinc/81/13/27/822811327.db2.gz HMLGMCUYQJXGOD-UHFFFAOYSA-N 1 1 399.472 4.279 20 5 GIBDMO COc1ccc(C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000053098041 822821613 /nfs/dbraw/zinc/82/16/13/822821613.db2.gz KPCHSXUNWVGYIO-INIZCTEOSA-N 1 1 397.475 4.151 20 5 GIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053111370 822822116 /nfs/dbraw/zinc/82/21/16/822822116.db2.gz DVOMUPNTOLUTNN-GFCCVEGCSA-N 1 1 381.354 4.073 20 5 GIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053111370 822822119 /nfs/dbraw/zinc/82/21/19/822822119.db2.gz DVOMUPNTOLUTNN-GFCCVEGCSA-N 1 1 381.354 4.073 20 5 GIBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828212 822842655 /nfs/dbraw/zinc/84/26/55/822842655.db2.gz VUZFLZFBGYFRGR-UHFFFAOYSA-N 1 1 383.876 4.080 20 5 GIBDMO CC[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000186465411 822899743 /nfs/dbraw/zinc/89/97/43/822899743.db2.gz FBQJKZOCBRAHIL-KRWDZBQOSA-N 1 1 385.855 4.285 20 5 GIBDMO Cc1cc(C)c2c(c1)C[N@H+]([C@@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000186703933 822941063 /nfs/dbraw/zinc/94/10/63/822941063.db2.gz OKUJRMLVZHMFGJ-HNNXBMFYSA-N 1 1 378.432 4.381 20 5 GIBDMO Cc1cc(C)c2c(c1)C[N@@H+]([C@@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000186703933 822941067 /nfs/dbraw/zinc/94/10/67/822941067.db2.gz OKUJRMLVZHMFGJ-HNNXBMFYSA-N 1 1 378.432 4.381 20 5 GIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175563030 822998211 /nfs/dbraw/zinc/99/82/11/822998211.db2.gz QJHBMADIPLOPCX-UHFFFAOYSA-N 1 1 375.856 4.018 20 5 GIBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000123851610 823545565 /nfs/dbraw/zinc/54/55/65/823545565.db2.gz QBVNVNBHCACNCJ-INIZCTEOSA-N 1 1 399.491 4.229 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000411120989 823549773 /nfs/dbraw/zinc/54/97/73/823549773.db2.gz RTOOLLYBMJJGGF-CQSZACIVSA-N 1 1 397.431 4.371 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000412185203 823633847 /nfs/dbraw/zinc/63/38/47/823633847.db2.gz XOGNTJAGXAACJP-SZFUDVHCSA-N 1 1 390.443 4.070 20 5 GIBDMO CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000063704590 823690183 /nfs/dbraw/zinc/69/01/83/823690183.db2.gz JLCHTJWHYMZMOA-PXNSSMCTSA-N 1 1 381.476 4.201 20 5 GIBDMO Cc1nc(C[NH+]2CCC(CNc3nccc4ccc([N+](=O)[O-])cc43)CC2)oc1C ZINC000413131028 823712087 /nfs/dbraw/zinc/71/20/87/823712087.db2.gz DLBHXDWKHDNMRT-UHFFFAOYSA-N 1 1 395.463 4.072 20 5 GIBDMO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000191661614 823726410 /nfs/dbraw/zinc/72/64/10/823726410.db2.gz QNIZIHMOKHXRDT-OAHLLOKOSA-N 1 1 376.375 4.022 20 5 GIBDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000191661614 823726411 /nfs/dbraw/zinc/72/64/11/823726411.db2.gz QNIZIHMOKHXRDT-OAHLLOKOSA-N 1 1 376.375 4.022 20 5 GIBDMO Cc1ccc(C)c(OC2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000064632079 823855023 /nfs/dbraw/zinc/85/50/23/823855023.db2.gz KEINMRMRARSGPK-UHFFFAOYSA-N 1 1 398.459 4.122 20 5 GIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000192524237 824019616 /nfs/dbraw/zinc/01/96/16/824019616.db2.gz DPUIIWPLWWCUOP-IAGOWNOFSA-N 1 1 397.475 4.073 20 5 GIBDMO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164630875 719093137 /nfs/dbraw/zinc/09/31/37/719093137.db2.gz WZXZXQPQNCSPRQ-SIKLNZKXSA-N 1 1 388.471 4.244 20 5 GIBDMO c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2ccc3ccc4cccnc4c3n2)c1 ZINC001164730502 720356709 /nfs/dbraw/zinc/35/67/09/720356709.db2.gz ZTUAZIUJYYCRDA-RTWAWAEBSA-N 1 1 381.483 4.031 20 5 GIBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000570747241 823080203 /nfs/dbraw/zinc/08/02/03/823080203.db2.gz NZKIKDXCLNLYAS-IBGZPJMESA-N 1 1 382.439 4.124 20 5 GIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000175965192 823083491 /nfs/dbraw/zinc/08/34/91/823083491.db2.gz AIEDLPWLGCTQAX-AWEZNQCLSA-N 1 1 388.493 4.458 20 5 GIBDMO COc1cc(C[NH2+][C@H](c2ncccc2C)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000121006774 823101639 /nfs/dbraw/zinc/10/16/39/823101639.db2.gz JCJKEFQLXCKTSK-KRWDZBQOSA-N 1 1 395.406 4.395 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](Cc3ccccc3)[C@@H](CO)C3CC3)co2)cc1 ZINC000121043717 823107961 /nfs/dbraw/zinc/10/79/61/823107961.db2.gz UBPZVEVLYXNSKG-NRFANRHFSA-N 1 1 393.443 4.023 20 5 GIBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)O1 ZINC000176137475 823133194 /nfs/dbraw/zinc/13/31/94/823133194.db2.gz QWBXBKHDEOBNDI-HDICACEKSA-N 1 1 391.515 4.007 20 5 GIBDMO Cc1[nH+]c(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1-c1ccccc1 ZINC000571451233 823184627 /nfs/dbraw/zinc/18/46/27/823184627.db2.gz CULYVFGILNORIJ-UHFFFAOYSA-N 1 1 399.454 4.400 20 5 GIBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)c(F)c1 ZINC000459550373 823218285 /nfs/dbraw/zinc/21/82/85/823218285.db2.gz XSOIXHNKCIRILI-LJQANCHMSA-N 1 1 376.403 4.257 20 5 GIBDMO Cc1cccc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1[N+](=O)[O-] ZINC000188375268 823228903 /nfs/dbraw/zinc/22/89/03/823228903.db2.gz WVVMPNXMAKZICO-UHFFFAOYSA-N 1 1 399.491 4.005 20 5 GIBDMO CN(c1ccccc1)c1ccc(C[NH2+]Cc2cn3ccsc3n2)cc1[N+](=O)[O-] ZINC000409476055 823229550 /nfs/dbraw/zinc/22/95/50/823229550.db2.gz KHPZFMOZKDZPKQ-UHFFFAOYSA-N 1 1 393.472 4.362 20 5 GIBDMO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccco1 ZINC000409484104 823231816 /nfs/dbraw/zinc/23/18/16/823231816.db2.gz KRNROYAFVWZFDD-GOSISDBHSA-N 1 1 395.415 4.013 20 5 GIBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176581713 823241448 /nfs/dbraw/zinc/24/14/48/823241448.db2.gz XDOGIDSIOUJAGA-RHSMWYFYSA-N 1 1 387.867 4.031 20 5 GIBDMO C[C@H]1C[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176721392 823276800 /nfs/dbraw/zinc/27/68/00/823276800.db2.gz PGOJZBCDNVQPFH-GOEBONIOSA-N 1 1 387.867 4.031 20 5 GIBDMO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000006649501 817715650 /nfs/dbraw/zinc/71/56/50/817715650.db2.gz CAIGBNKKXYPOTD-CYBMUJFWSA-N 1 1 391.855 4.106 20 5 GIBDMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000006649501 817715656 /nfs/dbraw/zinc/71/56/56/817715656.db2.gz CAIGBNKKXYPOTD-CYBMUJFWSA-N 1 1 391.855 4.106 20 5 GIBDMO C[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000015504616 818332287 /nfs/dbraw/zinc/33/22/87/818332287.db2.gz HRAVNOBTNKFVGC-MRXNPFEDSA-N 1 1 382.464 4.270 20 5 GIBDMO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC(c4nc5ccccc5s4)CC3)c2c1 ZINC000016358166 818428275 /nfs/dbraw/zinc/42/82/75/818428275.db2.gz SJHQJBSACBDQGY-UHFFFAOYSA-N 1 1 393.472 4.391 20 5 GIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000572517711 823352650 /nfs/dbraw/zinc/35/26/50/823352650.db2.gz HCKTWGZGKQLKEA-CALCHBBNSA-N 1 1 395.503 4.311 20 5 GIBDMO CCc1[nH+]ccn1C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000572548570 823358930 /nfs/dbraw/zinc/35/89/30/823358930.db2.gz NDKKVHXUKAMKFN-QGZVFWFLSA-N 1 1 395.438 4.224 20 5 GIBDMO COc1ccc2cc(C[N@H+](C)Cn3ncc4cc([N+](=O)[O-])ccc43)ccc2c1 ZINC000023853095 818986707 /nfs/dbraw/zinc/98/67/07/818986707.db2.gz JATPDNKASKRMHI-UHFFFAOYSA-N 1 1 376.416 4.196 20 5 GIBDMO COc1ccc2cc(C[N@@H+](C)Cn3ncc4cc([N+](=O)[O-])ccc43)ccc2c1 ZINC000023853095 818986713 /nfs/dbraw/zinc/98/67/13/818986713.db2.gz JATPDNKASKRMHI-UHFFFAOYSA-N 1 1 376.416 4.196 20 5 GIBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000122629583 823384626 /nfs/dbraw/zinc/38/46/26/823384626.db2.gz LZGPNUCFPMQPJZ-UZLBHIALSA-N 1 1 396.491 4.141 20 5 GIBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000025507413 819992577 /nfs/dbraw/zinc/99/25/77/819992577.db2.gz WVRCZOKOECQGPS-KRWDZBQOSA-N 1 1 381.476 4.185 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000026250353 820075040 /nfs/dbraw/zinc/07/50/40/820075040.db2.gz ZCNLYXUCRFGMNG-UHFFFAOYSA-N 1 1 393.443 4.217 20 5 GIBDMO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1Cl ZINC000026347991 820087159 /nfs/dbraw/zinc/08/71/59/820087159.db2.gz INLBQFWNYGPIAO-NSHDSACASA-N 1 1 394.258 4.142 20 5 GIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000573371745 823485779 /nfs/dbraw/zinc/48/57/79/823485779.db2.gz GNMPPMCSQXKLAQ-UZLBHIALSA-N 1 1 396.491 4.189 20 5 GIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000460732216 823498557 /nfs/dbraw/zinc/49/85/57/823498557.db2.gz FKECXZPPLPUGRL-KRWDZBQOSA-N 1 1 381.476 4.065 20 5 GIBDMO C[N@@H+](Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000059888556 823501894 /nfs/dbraw/zinc/50/18/94/823501894.db2.gz BZMZEDZIYLLJBN-UHFFFAOYSA-N 1 1 387.505 4.351 20 5 GIBDMO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000123376534 823503098 /nfs/dbraw/zinc/50/30/98/823503098.db2.gz LCHZEJNFNJABAP-UHFFFAOYSA-N 1 1 378.476 4.427 20 5 GIBDMO Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000036330105 821071203 /nfs/dbraw/zinc/07/12/03/821071203.db2.gz ZQETVTVHWIMBMZ-LJQANCHMSA-N 1 1 387.867 4.124 20 5 GIBDMO Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cc2[N+](=O)[O-])cc1 ZINC000060470255 823531724 /nfs/dbraw/zinc/53/17/24/823531724.db2.gz UMRJOLBBPKPQAJ-MRXNPFEDSA-N 1 1 397.500 4.021 20 5 GIBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000043784017 821457845 /nfs/dbraw/zinc/45/78/45/821457845.db2.gz UYXHCFIYMGHWFB-NRFANRHFSA-N 1 1 392.455 4.134 20 5 GIBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000043784017 821457849 /nfs/dbraw/zinc/45/78/49/821457849.db2.gz UYXHCFIYMGHWFB-NRFANRHFSA-N 1 1 392.455 4.134 20 5 GIBDMO C[C@@H](CCO)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000180976468 821568481 /nfs/dbraw/zinc/56/84/81/821568481.db2.gz HMQWCTNPFWSTBB-KRWDZBQOSA-N 1 1 395.459 4.065 20 5 GIBDMO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181664786 821931940 /nfs/dbraw/zinc/93/19/40/821931940.db2.gz MRFIIXSHVBDJNH-UONOGXRCSA-N 1 1 387.505 4.192 20 5 GIBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000182159268 822123321 /nfs/dbraw/zinc/12/33/21/822123321.db2.gz USTRFLTZCHCREO-FXAWDEMLSA-N 1 1 395.459 4.043 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000182835590 822375416 /nfs/dbraw/zinc/37/54/16/822375416.db2.gz ICNAZVFGHPOMQT-LJQANCHMSA-N 1 1 395.503 4.131 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000182835590 822375421 /nfs/dbraw/zinc/37/54/21/822375421.db2.gz ICNAZVFGHPOMQT-LJQANCHMSA-N 1 1 395.503 4.131 20 5 GIBDMO Cc1ccc([C@H](C)[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1[N+](=O)[O-] ZINC000178477593 822382984 /nfs/dbraw/zinc/38/29/84/822382984.db2.gz YSCMHOALEKYYCM-INIZCTEOSA-N 1 1 376.460 4.428 20 5 GIBDMO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178669791 822401306 /nfs/dbraw/zinc/40/13/06/822401306.db2.gz XZPSPHFZFYQDCZ-JPYJTQIMSA-N 1 1 385.511 4.477 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000178728836 822405918 /nfs/dbraw/zinc/40/59/18/822405918.db2.gz JVPVUFHYEVGWBC-NSHDSACASA-N 1 1 382.363 4.064 20 5 GIBDMO CN(C)c1cccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n1 ZINC000179034771 822432100 /nfs/dbraw/zinc/43/21/00/822432100.db2.gz PCNDHQYTOGIMFX-UHFFFAOYSA-N 1 1 386.839 4.259 20 5 GIBDMO COc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccncc1 ZINC000179315171 822465113 /nfs/dbraw/zinc/46/51/13/822465113.db2.gz JYZZPTDJONBEFN-UHFFFAOYSA-N 1 1 393.443 4.209 20 5 GIBDMO COc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccncc1 ZINC000179315171 822465115 /nfs/dbraw/zinc/46/51/15/822465115.db2.gz JYZZPTDJONBEFN-UHFFFAOYSA-N 1 1 393.443 4.209 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000183482289 822482856 /nfs/dbraw/zinc/48/28/56/822482856.db2.gz NKZWKHOLOZQMHN-UHFFFAOYSA-N 1 1 379.460 4.418 20 5 GIBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000179465734 822486803 /nfs/dbraw/zinc/48/68/03/822486803.db2.gz SNPZYPPTBRKAKP-UHFFFAOYSA-N 1 1 382.794 4.322 20 5 GIBDMO COc1sc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1Br ZINC000183799127 822529512 /nfs/dbraw/zinc/52/95/12/822529512.db2.gz KWTSIAVFKQRBTK-UHFFFAOYSA-N 1 1 391.674 4.371 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CCO)c3ccco3)o2)c(Cl)c1 ZINC000184510309 822648018 /nfs/dbraw/zinc/64/80/18/822648018.db2.gz YNMIOTXHSAFDLD-INIZCTEOSA-N 1 1 376.796 4.315 20 5 GIBDMO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4ccc(OC)c([N+](=O)[O-])c4)CC3)c2c1 ZINC000053075606 822820344 /nfs/dbraw/zinc/82/03/44/822820344.db2.gz RGCLJENJJPPOED-UHFFFAOYSA-N 1 1 393.443 4.383 20 5 GIBDMO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4ccc(OC)c([N+](=O)[O-])c4)CC3)c2c1 ZINC000053075606 822820348 /nfs/dbraw/zinc/82/03/48/822820348.db2.gz RGCLJENJJPPOED-UHFFFAOYSA-N 1 1 393.443 4.383 20 5 GIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053111368 822822024 /nfs/dbraw/zinc/82/20/24/822822024.db2.gz DVOMUPNTOLUTNN-LBPRGKRZSA-N 1 1 381.354 4.073 20 5 GIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053111368 822822026 /nfs/dbraw/zinc/82/20/26/822822026.db2.gz DVOMUPNTOLUTNN-LBPRGKRZSA-N 1 1 381.354 4.073 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000053233764 822827322 /nfs/dbraw/zinc/82/73/22/822827322.db2.gz MSDIQGTTWBOLSR-ZDUSSCGKSA-N 1 1 391.855 4.278 20 5 GIBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174823902 822842214 /nfs/dbraw/zinc/84/22/14/822842214.db2.gz TYTACJZOOKZNES-UHFFFAOYSA-N 1 1 383.876 4.080 20 5 GIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569058949 822875108 /nfs/dbraw/zinc/87/51/08/822875108.db2.gz VQYDRZOTHMHCMR-PMACEKPBSA-N 1 1 388.471 4.101 20 5 GIBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1 ZINC000570299173 823023600 /nfs/dbraw/zinc/02/36/00/823023600.db2.gz MTDURSMAICQPKK-KRWDZBQOSA-N 1 1 376.254 4.132 20 5 GIBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1 ZINC000570299173 823023603 /nfs/dbraw/zinc/02/36/03/823023603.db2.gz MTDURSMAICQPKK-KRWDZBQOSA-N 1 1 376.254 4.132 20 5 GIBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000123863097 823547095 /nfs/dbraw/zinc/54/70/95/823547095.db2.gz XFLIHLOBLVVDTC-INIZCTEOSA-N 1 1 399.491 4.229 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000411185382 823555218 /nfs/dbraw/zinc/55/52/18/823555218.db2.gz WGNOUAFFXBAYDH-LJQANCHMSA-N 1 1 383.448 4.078 20 5 GIBDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000124613364 823611047 /nfs/dbraw/zinc/61/10/47/823611047.db2.gz HAQBGGYTBZSWFP-ZIFCJYIRSA-N 1 1 397.519 4.363 20 5 GIBDMO CC(C)CCSc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000124765445 823624446 /nfs/dbraw/zinc/62/44/46/823624446.db2.gz VEPPMVALZNMAPZ-NVXWUHKLSA-N 1 1 393.553 4.288 20 5 GIBDMO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461388144 823627851 /nfs/dbraw/zinc/62/78/51/823627851.db2.gz ZLCJUIIUMFEEHA-LJQANCHMSA-N 1 1 392.459 4.351 20 5 GIBDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461388144 823627852 /nfs/dbraw/zinc/62/78/52/823627852.db2.gz ZLCJUIIUMFEEHA-LJQANCHMSA-N 1 1 392.459 4.351 20 5 GIBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413142894 823714597 /nfs/dbraw/zinc/71/45/97/823714597.db2.gz OGUWFPIBNDEJMK-KBPBESRZSA-N 1 1 386.418 4.099 20 5 GIBDMO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c2c1 ZINC000413276352 823743711 /nfs/dbraw/zinc/74/37/11/823743711.db2.gz BXKRPWXAACOJDX-INIZCTEOSA-N 1 1 377.448 4.060 20 5 GIBDMO COc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350526 823799029 /nfs/dbraw/zinc/79/90/29/823799029.db2.gz MHVGEADTNJAOPC-UHFFFAOYSA-N 1 1 391.855 4.106 20 5 GIBDMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350526 823799034 /nfs/dbraw/zinc/79/90/34/823799034.db2.gz MHVGEADTNJAOPC-UHFFFAOYSA-N 1 1 391.855 4.106 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@]4(CCSC4)C3)s2)cc1 ZINC000575124963 823918205 /nfs/dbraw/zinc/91/82/05/823918205.db2.gz QDVDZKXQQALPBX-GOSISDBHSA-N 1 1 376.503 4.031 20 5 GIBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1csc(Br)c1 ZINC000064994247 823922626 /nfs/dbraw/zinc/92/26/26/823922626.db2.gz ZPXPGFFBCRVELW-UHFFFAOYSA-N 1 1 385.283 4.320 20 5 GIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCO[C@@H](CF)C2)ccc1Oc1ccc(F)cc1 ZINC000414478271 823992023 /nfs/dbraw/zinc/99/20/23/823992023.db2.gz OLBLLFSBBBTNNV-KRWDZBQOSA-N 1 1 378.375 4.087 20 5 GIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCO[C@@H](CF)C2)ccc1Oc1ccc(F)cc1 ZINC000414478271 823992030 /nfs/dbraw/zinc/99/20/30/823992030.db2.gz OLBLLFSBBBTNNV-KRWDZBQOSA-N 1 1 378.375 4.087 20 5 GIBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000414553338 824010097 /nfs/dbraw/zinc/01/00/97/824010097.db2.gz QYODPJLNLCDPFZ-INIZCTEOSA-N 1 1 399.516 4.300 20 5 GIBDMO C[C@@H]1CN(c2cc(Oc3ccnc(Cl)c3)c(F)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC001164635680 719199220 /nfs/dbraw/zinc/19/92/20/719199220.db2.gz LGSFFJSQGVOCPF-NEPJUHHUSA-N 1 1 394.834 4.103 20 5 GIBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000120854717 823077400 /nfs/dbraw/zinc/07/74/00/823077400.db2.gz BSEHOFGXWVDEPD-INIZCTEOSA-N 1 1 382.395 4.164 20 5 GIBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000120872481 823080410 /nfs/dbraw/zinc/08/04/10/823080410.db2.gz MLJHQGHQVZRQCW-MRXNPFEDSA-N 1 1 382.395 4.164 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2nc(CN3CCC(CCC[NH+]4CCCC4)CC3)co2)cc1 ZINC000121008156 823102039 /nfs/dbraw/zinc/10/20/39/823102039.db2.gz QXOJAMWHYARFSB-UHFFFAOYSA-N 1 1 398.507 4.338 20 5 GIBDMO CSc1cccc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000188055346 823178877 /nfs/dbraw/zinc/17/88/77/823178877.db2.gz MZEUVNZVSLCWMR-UHFFFAOYSA-N 1 1 387.505 4.087 20 5 GIBDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121419456 823181272 /nfs/dbraw/zinc/18/12/72/823181272.db2.gz YKEWEXJOTLRDMD-XJKSGUPXSA-N 1 1 382.395 4.162 20 5 GIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000571573025 823202414 /nfs/dbraw/zinc/20/24/14/823202414.db2.gz KIRNKAYVKGRAAQ-QFBILLFUSA-N 1 1 396.491 4.332 20 5 GIBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459655952 823241453 /nfs/dbraw/zinc/24/14/53/823241453.db2.gz GVPYVCDGYOASOW-HNNXBMFYSA-N 1 1 392.805 4.429 20 5 GIBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459655952 823241457 /nfs/dbraw/zinc/24/14/57/823241457.db2.gz GVPYVCDGYOASOW-HNNXBMFYSA-N 1 1 392.805 4.429 20 5 GIBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ncccc12 ZINC000409650578 823274072 /nfs/dbraw/zinc/27/40/72/823274072.db2.gz VFIIEIBISJZJEG-OAHLLOKOSA-N 1 1 377.448 4.060 20 5 GIBDMO Cc1ccccc1OCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000015099660 818290224 /nfs/dbraw/zinc/29/02/24/818290224.db2.gz VMWYTLKKBGFCJP-OAHLLOKOSA-N 1 1 382.420 4.025 20 5 GIBDMO Cc1ccccc1OCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000015099660 818290233 /nfs/dbraw/zinc/29/02/33/818290233.db2.gz VMWYTLKKBGFCJP-OAHLLOKOSA-N 1 1 382.420 4.025 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176939383 823329582 /nfs/dbraw/zinc/32/95/82/823329582.db2.gz NAMFPUWPTYJKNY-SJLPKXTDSA-N 1 1 382.464 4.078 20 5 GIBDMO COc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1OC(F)F ZINC000016423901 818441647 /nfs/dbraw/zinc/44/16/47/818441647.db2.gz GYOUAPSOMKGNDD-UHFFFAOYSA-N 1 1 378.375 4.369 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000057874090 823343468 /nfs/dbraw/zinc/34/34/68/823343468.db2.gz PPRAVTVLFCCXAK-NSHDSACASA-N 1 1 382.247 4.499 20 5 GIBDMO C[N@H+](Cc1ccccc1)CC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177041515 823357502 /nfs/dbraw/zinc/35/75/02/823357502.db2.gz FTNJTQHGKMXJBK-UHFFFAOYSA-N 1 1 394.475 4.080 20 5 GIBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)ccc1Cl ZINC000122526539 823367171 /nfs/dbraw/zinc/36/71/71/823367171.db2.gz XTEYKHHTLLJOHN-UHFFFAOYSA-N 1 1 399.838 4.073 20 5 GIBDMO Cc1c(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000058530613 823404616 /nfs/dbraw/zinc/40/46/16/823404616.db2.gz DYADXRZEUBWQFT-MRXNPFEDSA-N 1 1 396.491 4.457 20 5 GIBDMO C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026349307 820087667 /nfs/dbraw/zinc/08/76/67/820087667.db2.gz XYOYGPKUMAEQFO-UHFFFAOYSA-N 1 1 375.428 4.479 20 5 GIBDMO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026349307 820087678 /nfs/dbraw/zinc/08/76/78/820087678.db2.gz XYOYGPKUMAEQFO-UHFFFAOYSA-N 1 1 375.428 4.479 20 5 GIBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3sc4ccccc4c3Cl)CC2)cn1 ZINC000026594631 820119332 /nfs/dbraw/zinc/11/93/32/820119332.db2.gz NVXMJZKXHXHZRQ-UHFFFAOYSA-N 1 1 388.880 4.180 20 5 GIBDMO [NH3+]CC1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000573249212 823470529 /nfs/dbraw/zinc/47/05/29/823470529.db2.gz ZUQCAIGPCWZGPX-UHFFFAOYSA-N 1 1 375.856 4.211 20 5 GIBDMO Cc1c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cccc1[N+](=O)[O-] ZINC000058950231 823474693 /nfs/dbraw/zinc/47/46/93/823474693.db2.gz IAWILFWQIXLVNB-MRXNPFEDSA-N 1 1 381.476 4.208 20 5 GIBDMO C[C@@H](CCO)[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000180986922 821575835 /nfs/dbraw/zinc/57/58/35/821575835.db2.gz HFAHROXQYXRMHQ-INIZCTEOSA-N 1 1 381.432 4.023 20 5 GIBDMO C[C@@H](CCO)[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000180986922 821575843 /nfs/dbraw/zinc/57/58/43/821575843.db2.gz HFAHROXQYXRMHQ-INIZCTEOSA-N 1 1 381.432 4.023 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000182649123 822338465 /nfs/dbraw/zinc/33/84/65/822338465.db2.gz JTUCNQNBLSXVDH-IRXDYDNUSA-N 1 1 383.496 4.162 20 5 GIBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000178622067 822396938 /nfs/dbraw/zinc/39/69/38/822396938.db2.gz LXWXVIZZWSEMDZ-UHFFFAOYSA-N 1 1 384.483 4.216 20 5 GIBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1Cl ZINC000045799499 822414769 /nfs/dbraw/zinc/41/47/69/822414769.db2.gz VTIJVGOIBHBNNY-UHFFFAOYSA-N 1 1 382.247 4.362 20 5 GIBDMO COc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000046156340 822445544 /nfs/dbraw/zinc/44/55/44/822445544.db2.gz CMISKCBSRKADAO-HNNXBMFYSA-N 1 1 383.448 4.088 20 5 GIBDMO COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1OC(=O)C1CC1 ZINC000179320349 822465694 /nfs/dbraw/zinc/46/56/94/822465694.db2.gz DBRJGUAZLNMMIZ-UHFFFAOYSA-N 1 1 398.459 4.329 20 5 GIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000179658261 822521880 /nfs/dbraw/zinc/52/18/80/822521880.db2.gz OQPLXNKOCVWETB-HXUWFJFHSA-N 1 1 395.503 4.114 20 5 GIBDMO C[C@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000180410718 822677077 /nfs/dbraw/zinc/67/70/77/822677077.db2.gz KHLDYWRIDOPYFK-NSHDSACASA-N 1 1 388.474 4.069 20 5 GIBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180414734 822677648 /nfs/dbraw/zinc/67/76/48/822677648.db2.gz YSZDFRSXGKVEOW-OAHLLOKOSA-N 1 1 388.489 4.162 20 5 GIBDMO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1OC ZINC000180416086 822678126 /nfs/dbraw/zinc/67/81/26/822678126.db2.gz KKOCDMGMOPSFKS-LLVKDONJSA-N 1 1 395.253 4.225 20 5 GIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000180508061 822693287 /nfs/dbraw/zinc/69/32/87/822693287.db2.gz MDZDWPRTOJMQLU-ZFWWWQNUSA-N 1 1 398.431 4.346 20 5 GIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000180508061 822693290 /nfs/dbraw/zinc/69/32/90/822693290.db2.gz MDZDWPRTOJMQLU-ZFWWWQNUSA-N 1 1 398.431 4.346 20 5 GIBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133712 822747794 /nfs/dbraw/zinc/74/77/94/822747794.db2.gz DUHFGJLWVTXMMV-XMSQKQJNSA-N 1 1 397.475 4.023 20 5 GIBDMO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c2ccncc21 ZINC000052473595 822801132 /nfs/dbraw/zinc/80/11/32/822801132.db2.gz BNUIFLWPSNKMQS-UHFFFAOYSA-N 1 1 398.413 4.498 20 5 GIBDMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185622052 822803447 /nfs/dbraw/zinc/80/34/47/822803447.db2.gz SYLVZOKUBUAHDB-VIFPVBQESA-N 1 1 390.793 4.475 20 5 GIBDMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185622037 822803454 /nfs/dbraw/zinc/80/34/54/822803454.db2.gz SYLVZOKUBUAHDB-SECBINFHSA-N 1 1 390.793 4.475 20 5 GIBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000174841597 822845072 /nfs/dbraw/zinc/84/50/72/822845072.db2.gz JWIRYVBMWFNHCT-UHFFFAOYSA-N 1 1 399.838 4.073 20 5 GIBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000174853359 822846747 /nfs/dbraw/zinc/84/67/47/822846747.db2.gz RXFBDBQVLCLHMB-IBGZPJMESA-N 1 1 378.831 4.333 20 5 GIBDMO Cc1ccc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000175086304 822879729 /nfs/dbraw/zinc/87/97/29/822879729.db2.gz YSXWZBSZTOOHTQ-UHFFFAOYSA-N 1 1 399.491 4.005 20 5 GIBDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000055152644 822941513 /nfs/dbraw/zinc/94/15/13/822941513.db2.gz GFNCPLTXZPOFQP-QWRGUYRKSA-N 1 1 395.818 4.074 20 5 GIBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000569614357 822944909 /nfs/dbraw/zinc/94/49/09/822944909.db2.gz JKXJFBXUJBJZKX-IAGOWNOFSA-N 1 1 393.438 4.034 20 5 GIBDMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000570122166 823007630 /nfs/dbraw/zinc/00/76/30/823007630.db2.gz YWJSOMMVSRMLDH-UHFFFAOYSA-N 1 1 398.510 4.377 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000411119780 823549622 /nfs/dbraw/zinc/54/96/22/823549622.db2.gz LOFUUVNYCQWGSS-LJQANCHMSA-N 1 1 383.448 4.078 20 5 GIBDMO CC[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411172353 823554235 /nfs/dbraw/zinc/55/42/35/823554235.db2.gz HDOMEDDPQMGZNH-MRXNPFEDSA-N 1 1 389.477 4.003 20 5 GIBDMO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]CC(=O)NC(C)C)cc2[N+](=O)[O-])c1 ZINC000061016656 823573113 /nfs/dbraw/zinc/57/31/13/823573113.db2.gz ALIJBMKHXLTFRR-UHFFFAOYSA-N 1 1 399.491 4.433 20 5 GIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNCC[NH+]2CCCC2)cc1 ZINC000061030863 823574406 /nfs/dbraw/zinc/57/44/06/823574406.db2.gz WTCNKECPBJDBRG-UHFFFAOYSA-N 1 1 375.856 4.226 20 5 GIBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000061571303 823604604 /nfs/dbraw/zinc/60/46/04/823604604.db2.gz CVHOSXAFSWXTJX-UHFFFAOYSA-N 1 1 391.880 4.049 20 5 GIBDMO Cc1c([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000124613538 823611151 /nfs/dbraw/zinc/61/11/51/823611151.db2.gz HAQBGGYTBZSWFP-SCTDSRPQSA-N 1 1 397.519 4.363 20 5 GIBDMO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000124858989 823631713 /nfs/dbraw/zinc/63/17/13/823631713.db2.gz ZMMADBBFDJMPBY-UONOGXRCSA-N 1 1 382.420 4.455 20 5 GIBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413142905 823714646 /nfs/dbraw/zinc/71/46/46/823714646.db2.gz OGUWFPIBNDEJMK-ZIAGYGMSSA-N 1 1 386.418 4.099 20 5 GIBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000064350161 823798420 /nfs/dbraw/zinc/79/84/20/823798420.db2.gz OMCXCSIVROYGBC-QFIPXVFZSA-N 1 1 394.471 4.398 20 5 GIBDMO CC(C)[N@@H+](Cc1ccc(OCc2nccn2C)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350814 823799150 /nfs/dbraw/zinc/79/91/50/823799150.db2.gz HRBPYUHXKXYABH-UHFFFAOYSA-N 1 1 394.475 4.318 20 5 GIBDMO Cc1ccccc1[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000126429627 823865129 /nfs/dbraw/zinc/86/51/29/823865129.db2.gz BLHFMINBUADDLY-OAQYLSRUSA-N 1 1 393.443 4.174 20 5 GIBDMO Cc1cc(C)c(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000575030875 823893573 /nfs/dbraw/zinc/89/35/73/823893573.db2.gz AKKOPKPRYKYXEX-NRFANRHFSA-N 1 1 378.476 4.175 20 5 GIBDMO O=[N+]([O-])c1ccc2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2c1 ZINC001164623627 719071056 /nfs/dbraw/zinc/07/10/56/719071056.db2.gz KASLHRQILKXKKK-DENIHFKCSA-N 1 1 388.471 4.244 20 5 GIBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC001164635681 719198732 /nfs/dbraw/zinc/19/87/32/719198732.db2.gz LGSFFJSQGVOCPF-NWDGAFQWSA-N 1 1 394.834 4.103 20 5 GIBDMO O=[N+]([O-])c1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164993222 722192553 /nfs/dbraw/zinc/19/25/53/722192553.db2.gz CYPDQGZPGGTIGU-LJQANCHMSA-N 1 1 390.846 4.027 20 5 GIBDMO O=[N+]([O-])c1cnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164993222 722192555 /nfs/dbraw/zinc/19/25/55/722192555.db2.gz CYPDQGZPGGTIGU-LJQANCHMSA-N 1 1 390.846 4.027 20 5 GIBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000571178751 823144467 /nfs/dbraw/zinc/14/44/67/823144467.db2.gz OKIOLDSPCSXXOJ-LSDHHAIUSA-N 1 1 393.212 4.207 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000121244322 823146368 /nfs/dbraw/zinc/14/63/68/823146368.db2.gz AYCKNDBGZHJNSQ-QGZVFWFLSA-N 1 1 387.436 4.142 20 5 GIBDMO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](N[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C2 ZINC000571289583 823160669 /nfs/dbraw/zinc/16/06/69/823160669.db2.gz DVJPDTPMXNLBKS-CXAGYDPISA-N 1 1 396.413 4.297 20 5 GIBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459680153 823249372 /nfs/dbraw/zinc/24/93/72/823249372.db2.gz UYZVMRIAVLGKQQ-MOPGFXCFSA-N 1 1 378.432 4.413 20 5 GIBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)nc2c1 ZINC000121824614 823258463 /nfs/dbraw/zinc/25/84/63/823258463.db2.gz AZGZARKHDNEHSZ-PBHICJAKSA-N 1 1 385.420 4.197 20 5 GIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266998 817807576 /nfs/dbraw/zinc/80/75/76/817807576.db2.gz FVPCGDLMEHUNDQ-LBPRGKRZSA-N 1 1 381.354 4.073 20 5 GIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266998 817807586 /nfs/dbraw/zinc/80/75/86/817807586.db2.gz FVPCGDLMEHUNDQ-LBPRGKRZSA-N 1 1 381.354 4.073 20 5 GIBDMO Cc1cccc(OCC[N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000015100638 818290366 /nfs/dbraw/zinc/29/03/66/818290366.db2.gz RXGYKAQCMZFXPF-HNNXBMFYSA-N 1 1 382.420 4.025 20 5 GIBDMO Cc1cccc(OCC[N@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000015100638 818290372 /nfs/dbraw/zinc/29/03/72/818290372.db2.gz RXGYKAQCMZFXPF-HNNXBMFYSA-N 1 1 382.420 4.025 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000015358650 818316366 /nfs/dbraw/zinc/31/63/66/818316366.db2.gz XOJGISOCDQQDPN-HXUWFJFHSA-N 1 1 399.447 4.422 20 5 GIBDMO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000015548306 818337218 /nfs/dbraw/zinc/33/72/18/818337218.db2.gz ZSYRSPUJZYDIDU-FQEVSTJZSA-N 1 1 383.448 4.078 20 5 GIBDMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000015548306 818337225 /nfs/dbraw/zinc/33/72/25/818337225.db2.gz ZSYRSPUJZYDIDU-FQEVSTJZSA-N 1 1 383.448 4.078 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176939396 823329521 /nfs/dbraw/zinc/32/95/21/823329521.db2.gz NAMFPUWPTYJKNY-AEFFLSMTSA-N 1 1 382.464 4.078 20 5 GIBDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000409865328 823329892 /nfs/dbraw/zinc/32/98/92/823329892.db2.gz RMWDDEPARKPHDF-CYBMUJFWSA-N 1 1 384.461 4.226 20 5 GIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1cccc(Cl)c1 ZINC000016632262 818461377 /nfs/dbraw/zinc/46/13/77/818461377.db2.gz VWNJWBXZTCWDLX-NSHDSACASA-N 1 1 382.247 4.361 20 5 GIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000016632262 818461381 /nfs/dbraw/zinc/46/13/81/818461381.db2.gz VWNJWBXZTCWDLX-NSHDSACASA-N 1 1 382.247 4.361 20 5 GIBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000177402559 823454339 /nfs/dbraw/zinc/45/43/39/823454339.db2.gz IIUAZSZSFHJIBL-IRXDYDNUSA-N 1 1 388.468 4.060 20 5 GIBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000123187506 823475844 /nfs/dbraw/zinc/47/58/44/823475844.db2.gz BNFFNEZSTPNKAD-LIRRHRJNSA-N 1 1 396.472 4.148 20 5 GIBDMO Cc1ccc(NCc2ccc(C)c([N+](=O)[O-])c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000123504505 823515337 /nfs/dbraw/zinc/51/53/37/823515337.db2.gz FTJMLRMPWCYGTL-UHFFFAOYSA-N 1 1 396.491 4.248 20 5 GIBDMO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nc2c(s1)CCCC2 ZINC000177784263 823525767 /nfs/dbraw/zinc/52/57/67/823525767.db2.gz NACXPAQSQLRYBF-UHFFFAOYSA-N 1 1 398.488 4.260 20 5 GIBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nc2c(s1)CCCC2 ZINC000177784263 823525772 /nfs/dbraw/zinc/52/57/72/823525772.db2.gz NACXPAQSQLRYBF-UHFFFAOYSA-N 1 1 398.488 4.260 20 5 GIBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000123748657 823536984 /nfs/dbraw/zinc/53/69/84/823536984.db2.gz LMEIFGNPAMRCDL-HNNXBMFYSA-N 1 1 391.537 4.043 20 5 GIBDMO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000043782988 821457867 /nfs/dbraw/zinc/45/78/67/821457867.db2.gz NPFXHNNYBNBINP-LJQANCHMSA-N 1 1 394.431 4.381 20 5 GIBDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000043782988 821457871 /nfs/dbraw/zinc/45/78/71/821457871.db2.gz NPFXHNNYBNBINP-LJQANCHMSA-N 1 1 394.431 4.381 20 5 GIBDMO C[C@H](CCO)[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000180986941 821575875 /nfs/dbraw/zinc/57/58/75/821575875.db2.gz HFAHROXQYXRMHQ-MRXNPFEDSA-N 1 1 381.432 4.023 20 5 GIBDMO C[C@H](CCO)[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000180986941 821575882 /nfs/dbraw/zinc/57/58/82/821575882.db2.gz HFAHROXQYXRMHQ-MRXNPFEDSA-N 1 1 381.432 4.023 20 5 GIBDMO Cc1cccc(C(=O)N2CCC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000182647314 822337888 /nfs/dbraw/zinc/33/78/88/822337888.db2.gz GUNKFYFPHLLMHJ-GOSISDBHSA-N 1 1 381.476 4.121 20 5 GIBDMO Cc1cccc(C(=O)N2CCC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000182647314 822337899 /nfs/dbraw/zinc/33/78/99/822337899.db2.gz GUNKFYFPHLLMHJ-GOSISDBHSA-N 1 1 381.476 4.121 20 5 GIBDMO CCOc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000183189546 822438368 /nfs/dbraw/zinc/43/83/68/822438368.db2.gz JPTFVRMFJSHUAY-LZLYRXPVSA-N 1 1 375.513 4.297 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](Oc4cccc(F)c4)C3)co2)cc1 ZINC000183362765 822463787 /nfs/dbraw/zinc/46/37/87/822463787.db2.gz GFWSQVFKNOBJAJ-IBGZPJMESA-N 1 1 383.379 4.042 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H](Oc4cccc(F)c4)C3)co2)cc1 ZINC000183362765 822463789 /nfs/dbraw/zinc/46/37/89/822463789.db2.gz GFWSQVFKNOBJAJ-IBGZPJMESA-N 1 1 383.379 4.042 20 5 GIBDMO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)n1 ZINC000183561282 822494830 /nfs/dbraw/zinc/49/48/30/822494830.db2.gz ULKKCXJUVWHQCM-BMIGLBTASA-N 1 1 394.884 4.081 20 5 GIBDMO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000183847504 822535325 /nfs/dbraw/zinc/53/53/25/822535325.db2.gz AONSFGMWMQWGQX-ZDUSSCGKSA-N 1 1 383.477 4.102 20 5 GIBDMO C[N@@H+](CCCCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000454810883 822538693 /nfs/dbraw/zinc/53/86/93/822538693.db2.gz LGICWNZARPSURA-UHFFFAOYSA-N 1 1 398.463 4.383 20 5 GIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000454940604 822560551 /nfs/dbraw/zinc/56/05/51/822560551.db2.gz IVVMPPBKGWEFLP-INIZCTEOSA-N 1 1 396.491 4.197 20 5 GIBDMO CC(=O)Nc1cccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180117393 822618776 /nfs/dbraw/zinc/61/87/76/822618776.db2.gz XSVZCJJTXTWKIO-QFIPXVFZSA-N 1 1 375.428 4.432 20 5 GIBDMO CCOc1ccc([C@H](C)[NH2+][C@H](COC)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000180238362 822646018 /nfs/dbraw/zinc/64/60/18/822646018.db2.gz LABMGHQNUPIUPG-YVEFUNNKSA-N 1 1 380.391 4.310 20 5 GIBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184628675 822668188 /nfs/dbraw/zinc/66/81/88/822668188.db2.gz NGBYRTFRTJEIPR-RYRKJORJSA-N 1 1 399.466 4.007 20 5 GIBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCc2c(ncn2CCc2ccccc2)C1 ZINC000184743101 822684927 /nfs/dbraw/zinc/68/49/27/822684927.db2.gz FWDCSMSMKBSJKC-UXBLZVDNSA-N 1 1 388.471 4.106 20 5 GIBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCc2c(ncn2CCc2ccccc2)C1 ZINC000184743101 822684930 /nfs/dbraw/zinc/68/49/30/822684930.db2.gz FWDCSMSMKBSJKC-UXBLZVDNSA-N 1 1 388.471 4.106 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)s2)cc1 ZINC000180453134 822685059 /nfs/dbraw/zinc/68/50/59/822685059.db2.gz LJQPETGVJCPLRC-FUHWJXTLSA-N 1 1 376.503 4.030 20 5 GIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000180508043 822693300 /nfs/dbraw/zinc/69/33/00/822693300.db2.gz MDZDWPRTOJMQLU-DZGCQCFKSA-N 1 1 398.431 4.346 20 5 GIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000180508043 822693302 /nfs/dbraw/zinc/69/33/02/822693302.db2.gz MDZDWPRTOJMQLU-DZGCQCFKSA-N 1 1 398.431 4.346 20 5 GIBDMO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)c1cccc(OC)c1 ZINC000052706531 822807843 /nfs/dbraw/zinc/80/78/43/822807843.db2.gz KHHQHWLQBFQBCB-CQSZACIVSA-N 1 1 382.420 4.237 20 5 GIBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)c1cccc(OC)c1 ZINC000052706531 822807847 /nfs/dbraw/zinc/80/78/47/822807847.db2.gz KHHQHWLQBFQBCB-CQSZACIVSA-N 1 1 382.420 4.237 20 5 GIBDMO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)n2C ZINC000185841237 822826418 /nfs/dbraw/zinc/82/64/18/822826418.db2.gz UTQXKKTUBNACOZ-UHFFFAOYSA-N 1 1 392.415 4.040 20 5 GIBDMO Cc1ccccc1C([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1C ZINC000185859910 822827915 /nfs/dbraw/zinc/82/79/15/822827915.db2.gz RCJLJWNIXUZIPF-UHFFFAOYSA-N 1 1 389.455 4.190 20 5 GIBDMO Cc1ccccc1OCCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000053722332 822846272 /nfs/dbraw/zinc/84/62/72/822846272.db2.gz IBAIOHZTQQIESF-MRXNPFEDSA-N 1 1 396.447 4.415 20 5 GIBDMO Cc1ccccc1OCCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000053722332 822846277 /nfs/dbraw/zinc/84/62/77/822846277.db2.gz IBAIOHZTQQIESF-MRXNPFEDSA-N 1 1 396.447 4.415 20 5 GIBDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000186044605 822846754 /nfs/dbraw/zinc/84/67/54/822846754.db2.gz BUAFKALONSJYBW-NRFANRHFSA-N 1 1 378.432 4.242 20 5 GIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186240449 822863858 /nfs/dbraw/zinc/86/38/58/822863858.db2.gz YQWZUJLAXISIKC-AWEZNQCLSA-N 1 1 376.416 4.253 20 5 GIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186240449 822863862 /nfs/dbraw/zinc/86/38/62/822863862.db2.gz YQWZUJLAXISIKC-AWEZNQCLSA-N 1 1 376.416 4.253 20 5 GIBDMO Cc1cc(C)c(NC(=O)CCC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000570465960 823041514 /nfs/dbraw/zinc/04/15/14/823041514.db2.gz WUWZRHIEWKRFDP-UHFFFAOYSA-N 1 1 383.492 4.413 20 5 GIBDMO C[N@@H+](Cc1ccccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000460954790 823549876 /nfs/dbraw/zinc/54/98/76/823549876.db2.gz AFPRTGUOQRVZSE-UHFFFAOYSA-N 1 1 395.503 4.218 20 5 GIBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000461274337 823610628 /nfs/dbraw/zinc/61/06/28/823610628.db2.gz XFLRZHOBLDQBPO-QGZVFWFLSA-N 1 1 397.475 4.334 20 5 GIBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411995607 823619454 /nfs/dbraw/zinc/61/94/54/823619454.db2.gz DQPKQLRKDWQNOH-NRFANRHFSA-N 1 1 382.460 4.347 20 5 GIBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411995607 823619456 /nfs/dbraw/zinc/61/94/56/823619456.db2.gz DQPKQLRKDWQNOH-NRFANRHFSA-N 1 1 382.460 4.347 20 5 GIBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2csc(Br)c2)C2CC2)c1 ZINC000125222522 823660218 /nfs/dbraw/zinc/66/02/18/823660218.db2.gz NGEJVGVIRZYVJT-OAHLLOKOSA-N 1 1 397.294 4.117 20 5 GIBDMO Cc1ccccc1C(C)(C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000574539957 823759267 /nfs/dbraw/zinc/75/92/67/823759267.db2.gz PMNKUQFNWHFTME-HXUWFJFHSA-N 1 1 378.476 4.294 20 5 GIBDMO COCCO[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000574827063 823835790 /nfs/dbraw/zinc/83/57/90/823835790.db2.gz OIANGEKNSKZKIS-HNNXBMFYSA-N 1 1 394.855 4.136 20 5 GIBDMO CCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCc2ccccc2C1 ZINC000064632515 823855616 /nfs/dbraw/zinc/85/56/16/823855616.db2.gz NXMWRFVZBOBVFZ-IBGZPJMESA-N 1 1 392.459 4.414 20 5 GIBDMO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000064940825 823916162 /nfs/dbraw/zinc/91/61/62/823916162.db2.gz MREKOALTRNFBFC-CQSZACIVSA-N 1 1 381.432 4.413 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000575239021 823949153 /nfs/dbraw/zinc/94/91/53/823949153.db2.gz CVZYMLLDOHJDQT-UHFFFAOYSA-N 1 1 396.491 4.376 20 5 GIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000065140794 823950630 /nfs/dbraw/zinc/95/06/30/823950630.db2.gz PPGHPEOWZCPSJI-RHSMWYFYSA-N 1 1 395.484 4.375 20 5 GIBDMO O=[N+]([O-])c1cccc2nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccc21 ZINC001164619868 719075869 /nfs/dbraw/zinc/07/58/69/719075869.db2.gz CSJKCHITXURAFO-XMSQKQJNSA-N 1 1 388.471 4.244 20 5 GIBDMO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164630876 719093331 /nfs/dbraw/zinc/09/33/31/719093331.db2.gz WZXZXQPQNCSPRQ-UGKGYDQZSA-N 1 1 388.471 4.244 20 5 GIBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000120872323 823080017 /nfs/dbraw/zinc/08/00/17/823080017.db2.gz MLJHQGHQVZRQCW-INIZCTEOSA-N 1 1 382.395 4.164 20 5 GIBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(Cl)c1 ZINC000459668776 823246322 /nfs/dbraw/zinc/24/63/22/823246322.db2.gz TZNQUAOVOCXMKZ-HNNXBMFYSA-N 1 1 392.805 4.429 20 5 GIBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(Cl)c1 ZINC000459668776 823246326 /nfs/dbraw/zinc/24/63/26/823246326.db2.gz TZNQUAOVOCXMKZ-HNNXBMFYSA-N 1 1 392.805 4.429 20 5 GIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000460112507 823286664 /nfs/dbraw/zinc/28/66/64/823286664.db2.gz TUIIEQQBRDERMP-HKUYNNGSSA-N 1 1 381.476 4.028 20 5 GIBDMO COc1ccc(C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C2CC2)cc1 ZINC000057601218 823313567 /nfs/dbraw/zinc/31/35/67/823313567.db2.gz DCKBIAWMJWAXDF-MRXNPFEDSA-N 1 1 397.475 4.151 20 5 GIBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc2ccccc2c1 ZINC000018935398 818581158 /nfs/dbraw/zinc/58/11/58/818581158.db2.gz HYMAUOOLMCBNPX-UHFFFAOYSA-N 1 1 383.835 4.472 20 5 GIBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc2ccccc2c1 ZINC000018935398 818581165 /nfs/dbraw/zinc/58/11/65/818581165.db2.gz HYMAUOOLMCBNPX-UHFFFAOYSA-N 1 1 383.835 4.472 20 5 GIBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)c1 ZINC000122444501 823355437 /nfs/dbraw/zinc/35/54/37/823355437.db2.gz MTAQOHXSMXTDAU-UHFFFAOYSA-N 1 1 387.180 4.249 20 5 GIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189298052 823389668 /nfs/dbraw/zinc/38/96/68/823389668.db2.gz XZHFKJJXGNIFMR-HNNXBMFYSA-N 1 1 378.432 4.369 20 5 GIBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[NH+](C(C)C)CC3)cc2[N+](=O)[O-])cc1 ZINC000025135881 819934392 /nfs/dbraw/zinc/93/43/92/819934392.db2.gz RDNREQQCWQCZHF-UHFFFAOYSA-N 1 1 399.516 4.221 20 5 GIBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccccc1C[NH+]1CCOCC1 ZINC000026760154 820140464 /nfs/dbraw/zinc/14/04/64/820140464.db2.gz DGVHECUXQSFFHS-UHFFFAOYSA-N 1 1 395.381 4.058 20 5 GIBDMO Cc1c(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000410363613 823475070 /nfs/dbraw/zinc/47/50/70/823475070.db2.gz GLZDXISZRBWYEY-MRXNPFEDSA-N 1 1 396.491 4.457 20 5 GIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000031004784 820719901 /nfs/dbraw/zinc/71/99/01/820719901.db2.gz RMWJZNAULZKJSL-NSHDSACASA-N 1 1 382.247 4.361 20 5 GIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000031004784 820719906 /nfs/dbraw/zinc/71/99/06/820719906.db2.gz RMWJZNAULZKJSL-NSHDSACASA-N 1 1 382.247 4.361 20 5 GIBDMO Cc1nc([C@H]2CCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cs1 ZINC000189855944 823506613 /nfs/dbraw/zinc/50/66/13/823506613.db2.gz JCZRTFMWGKQDAJ-QGZVFWFLSA-N 1 1 384.461 4.394 20 5 GIBDMO Cc1c(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000036332835 821071047 /nfs/dbraw/zinc/07/10/47/821071047.db2.gz UZGMFHJAWLFLOY-LJQANCHMSA-N 1 1 387.867 4.124 20 5 GIBDMO CC[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc2c(c1)OCCO2 ZINC000180641387 821379515 /nfs/dbraw/zinc/37/95/15/821379515.db2.gz CDFAEBOZWBBFFE-GOSISDBHSA-N 1 1 395.415 4.262 20 5 GIBDMO CCOc1cccc([C@H](C)[NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000180715631 821413500 /nfs/dbraw/zinc/41/35/00/821413500.db2.gz RUYVRCGORGIGOH-LBPRGKRZSA-N 1 1 396.390 4.454 20 5 GIBDMO COc1ccc([C@@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(C)C)cc1 ZINC000182055940 822076516 /nfs/dbraw/zinc/07/65/16/822076516.db2.gz AOXKCMWWAFNASW-IBGZPJMESA-N 1 1 382.420 4.140 20 5 GIBDMO COc1cc(C[NH2+]C2(c3cccc(F)c3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182811051 822371396 /nfs/dbraw/zinc/37/13/96/822371396.db2.gz ZHIVXLHWAXEMMO-UHFFFAOYSA-N 1 1 396.365 4.165 20 5 GIBDMO Cc1sc2[nH]c([C@H](C)[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000178688569 822403165 /nfs/dbraw/zinc/40/31/65/822403165.db2.gz CTWQFRZZXUJKRG-NEPJUHHUSA-N 1 1 386.477 4.230 20 5 GIBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000178833784 822414991 /nfs/dbraw/zinc/41/49/91/822414991.db2.gz HKRFMNFVSJFGPC-SJPCQFCGSA-N 1 1 393.459 4.096 20 5 GIBDMO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1-n1cccn1 ZINC000183167464 822434531 /nfs/dbraw/zinc/43/45/31/822434531.db2.gz OKXQIHZJCZECBP-OAHLLOKOSA-N 1 1 389.415 4.286 20 5 GIBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(Nc4ccc(F)cc4)CC3)co2)cc1 ZINC000179230492 822454233 /nfs/dbraw/zinc/45/42/33/822454233.db2.gz OFUABUTVGZCMRM-UHFFFAOYSA-N 1 1 396.422 4.465 20 5 GIBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454597507 822503583 /nfs/dbraw/zinc/50/35/83/822503583.db2.gz OFGYKTVBGZEBJG-ZWOKBUDYSA-N 1 1 396.491 4.008 20 5 GIBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1[N+](=O)[O-] ZINC000179778981 822551227 /nfs/dbraw/zinc/55/12/27/822551227.db2.gz QCFHINUHMFUYPB-QGZVFWFLSA-N 1 1 379.464 4.141 20 5 GIBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1[N+](=O)[O-] ZINC000179778970 822551243 /nfs/dbraw/zinc/55/12/43/822551243.db2.gz QCFHINUHMFUYPB-KRWDZBQOSA-N 1 1 379.464 4.141 20 5 GIBDMO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000047406796 822575816 /nfs/dbraw/zinc/57/58/16/822575816.db2.gz UIVNOTTWCAUWKX-LJQANCHMSA-N 1 1 394.431 4.381 20 5 GIBDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000047406796 822575821 /nfs/dbraw/zinc/57/58/21/822575821.db2.gz UIVNOTTWCAUWKX-LJQANCHMSA-N 1 1 394.431 4.381 20 5 GIBDMO COc1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])cc1F ZINC000184240272 822601318 /nfs/dbraw/zinc/60/13/18/822601318.db2.gz BBIQVSIWSHRURG-ZDUSSCGKSA-N 1 1 385.395 4.263 20 5 GIBDMO Cn1c2ccc(F)cc2[nH+]c1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000184253250 822603765 /nfs/dbraw/zinc/60/37/65/822603765.db2.gz GHIZAVOZONTURO-UHFFFAOYSA-N 1 1 383.408 4.356 20 5 GIBDMO COc1cccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1OC ZINC000180168334 822631385 /nfs/dbraw/zinc/63/13/85/822631385.db2.gz IALQCZDJMVJNQE-NRFANRHFSA-N 1 1 378.428 4.491 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000184525885 822651071 /nfs/dbraw/zinc/65/10/71/822651071.db2.gz XDTUFRQILKYOCT-CQSZACIVSA-N 1 1 396.472 4.316 20 5 GIBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000180413200 822677691 /nfs/dbraw/zinc/67/76/91/822677691.db2.gz ZLOUOXKLVYYZKN-HNNXBMFYSA-N 1 1 377.238 4.361 20 5 GIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000174474384 822794862 /nfs/dbraw/zinc/79/48/62/822794862.db2.gz LUXYECOFWKBPFO-LJQANCHMSA-N 1 1 396.491 4.279 20 5 GIBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C2)n1 ZINC000052861593 822813171 /nfs/dbraw/zinc/81/31/71/822813171.db2.gz JPYBORFYNWBKQA-MRXNPFEDSA-N 1 1 375.428 4.017 20 5 GIBDMO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000053742944 822846794 /nfs/dbraw/zinc/84/67/94/822846794.db2.gz GKGMOBFPVYNVCE-UHFFFAOYSA-N 1 1 392.459 4.203 20 5 GIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000175360121 822945803 /nfs/dbraw/zinc/94/58/03/822945803.db2.gz BTWXKTHZFJXIGO-UHFFFAOYSA-N 1 1 398.507 4.170 20 5 GIBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000458164588 822964185 /nfs/dbraw/zinc/96/41/85/822964185.db2.gz KFUOEBATXFVZEY-INIZCTEOSA-N 1 1 399.516 4.208 20 5 GIBDMO COc1ccc(-c2ccc(C[NH2+][C@H]3c4ccccc4O[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000570076045 823003708 /nfs/dbraw/zinc/00/37/08/823003708.db2.gz SDWQSHPSERZPAC-YEJXKQKISA-N 1 1 380.400 4.475 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000411120986 823549768 /nfs/dbraw/zinc/54/97/68/823549768.db2.gz RTOOLLYBMJJGGF-AWEZNQCLSA-N 1 1 397.431 4.371 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccccc1C ZINC000411185381 823555307 /nfs/dbraw/zinc/55/53/07/823555307.db2.gz WGNOUAFFXBAYDH-IBGZPJMESA-N 1 1 383.448 4.078 20 5 GIBDMO CCNC(=O)C[NH2+]Cc1ccc(Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1 ZINC000060833201 823561008 /nfs/dbraw/zinc/56/10/08/823561008.db2.gz DFQOFTNMAIEBQV-UHFFFAOYSA-N 1 1 385.464 4.045 20 5 GIBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000461025485 823561163 /nfs/dbraw/zinc/56/11/63/823561163.db2.gz DNUMHOGPKWEKPQ-OAHLLOKOSA-N 1 1 387.505 4.205 20 5 GIBDMO COc1cccc([C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000124215520 823578168 /nfs/dbraw/zinc/57/81/68/823578168.db2.gz YSULAVJFAXXUTB-OAQYLSRUSA-N 1 1 392.459 4.341 20 5 GIBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000124603900 823610465 /nfs/dbraw/zinc/61/04/65/823610465.db2.gz NFOCBOALZGBERU-QRVBRYPASA-N 1 1 397.519 4.363 20 5 GIBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000412201669 823635176 /nfs/dbraw/zinc/63/51/76/823635176.db2.gz JTIBXERQPODMGZ-RBUKOAKNSA-N 1 1 379.460 4.309 20 5 GIBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413142900 823714618 /nfs/dbraw/zinc/71/46/18/823714618.db2.gz OGUWFPIBNDEJMK-UONOGXRCSA-N 1 1 386.418 4.099 20 5 GIBDMO COc1ccc(NC(=O)CC[N@H+]2CC(C)(C)[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000574542746 823760182 /nfs/dbraw/zinc/76/01/82/823760182.db2.gz HWICNSBACZPCTE-SFHVURJKSA-N 1 1 389.477 4.077 20 5 GIBDMO CC(C)[C@H]1[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC12CCOCC2 ZINC000414538568 824005261 /nfs/dbraw/zinc/00/52/61/824005261.db2.gz MHEZQOIATZLNAF-GOSISDBHSA-N 1 1 387.505 4.355 20 5 GIBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000414549889 824009192 /nfs/dbraw/zinc/00/91/92/824009192.db2.gz MCQRYXAEGPWMDU-QGZVFWFLSA-N 1 1 399.516 4.300 20 5 GIBDMO CSCC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nnc2ccccn21 ZINC000192622693 824048203 /nfs/dbraw/zinc/04/82/03/824048203.db2.gz MGSHVAOQZKLYQZ-ROUUACIJSA-N 1 1 397.504 4.099 20 5 GIBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164993239 722195068 /nfs/dbraw/zinc/19/50/68/722195068.db2.gz DFUQTJKRZLRUHE-IBGZPJMESA-N 1 1 390.846 4.027 20 5 GIBDMO CC(C)([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc([N+](=O)[O-])cc1 ZINC000175985596 823088811 /nfs/dbraw/zinc/08/88/11/823088811.db2.gz BABHBHYQSGKSAI-UHFFFAOYSA-N 1 1 397.456 4.472 20 5 GIBDMO COc1cc(C[N@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)ccc1SC ZINC000121139020 823125091 /nfs/dbraw/zinc/12/50/91/823125091.db2.gz ICXKGNDDBMVGCT-UHFFFAOYSA-N 1 1 386.477 4.073 20 5 GIBDMO COc1cc(C[N@@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)ccc1SC ZINC000121139020 823125093 /nfs/dbraw/zinc/12/50/93/823125093.db2.gz ICXKGNDDBMVGCT-UHFFFAOYSA-N 1 1 386.477 4.073 20 5 GIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000460112511 823286733 /nfs/dbraw/zinc/28/67/33/823286733.db2.gz TUIIEQQBRDERMP-IEBWSBKVSA-N 1 1 381.476 4.028 20 5 GIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266999 817807837 /nfs/dbraw/zinc/80/78/37/817807837.db2.gz FVPCGDLMEHUNDQ-GFCCVEGCSA-N 1 1 381.354 4.073 20 5 GIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266999 817807843 /nfs/dbraw/zinc/80/78/43/817807843.db2.gz FVPCGDLMEHUNDQ-GFCCVEGCSA-N 1 1 381.354 4.073 20 5 GIBDMO C[C@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000015504614 818331980 /nfs/dbraw/zinc/33/19/80/818331980.db2.gz HRAVNOBTNKFVGC-INIZCTEOSA-N 1 1 382.464 4.270 20 5 GIBDMO COc1ccc2cc(C[N@@H+](C)CCC(=O)Nc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000026259819 820076542 /nfs/dbraw/zinc/07/65/42/820076542.db2.gz FMHDJOMHYFAOQP-UHFFFAOYSA-N 1 1 393.443 4.217 20 5 GIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000460714166 823492375 /nfs/dbraw/zinc/49/23/75/823492375.db2.gz NZZHHOBVWMIXGX-QGZVFWFLSA-N 1 1 381.476 4.208 20 5 GIBDMO C[C@H]1C[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000190057420 823531777 /nfs/dbraw/zinc/53/17/77/823531777.db2.gz LSLXRCFODSSGGU-GUYCJALGSA-N 1 1 376.840 4.243 20 5 GIBDMO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000190057420 823531780 /nfs/dbraw/zinc/53/17/80/823531780.db2.gz LSLXRCFODSSGGU-GUYCJALGSA-N 1 1 376.840 4.243 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cs2)c1 ZINC000180780608 821453373 /nfs/dbraw/zinc/45/33/73/821453373.db2.gz KUKJNJIFJYQLHO-UZLBHIALSA-N 1 1 398.532 4.167 20 5 GIBDMO Cc1cc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000044877539 821676185 /nfs/dbraw/zinc/67/61/85/821676185.db2.gz LTPBPORKMBOCDJ-INIZCTEOSA-N 1 1 381.476 4.065 20 5 GIBDMO O=C(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1)N1CCc2ccccc21 ZINC000182286262 822187576 /nfs/dbraw/zinc/18/75/76/822187576.db2.gz QDRXVTXVBBWBKO-UHFFFAOYSA-N 1 1 399.878 4.050 20 5 GIBDMO Cc1ccc([C@H](C)[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000178683749 822402662 /nfs/dbraw/zinc/40/26/62/822402662.db2.gz VWTOEUMOKZTBSL-LAUBAEHRSA-N 1 1 381.476 4.308 20 5 GIBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000178867858 822417628 /nfs/dbraw/zinc/41/76/28/822417628.db2.gz KOLVUXILJAHMPM-OAQYLSRUSA-N 1 1 381.407 4.038 20 5 GIBDMO C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000046599321 822490337 /nfs/dbraw/zinc/49/03/37/822490337.db2.gz IHYGBYKCKBOBGY-UHFFFAOYSA-N 1 1 382.247 4.362 20 5 GIBDMO CNC(=O)C1CC[NH+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000179822499 822560120 /nfs/dbraw/zinc/56/01/20/822560120.db2.gz GYQMWEJPTYZLJQ-UHFFFAOYSA-N 1 1 399.516 4.012 20 5 GIBDMO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180448271 822684129 /nfs/dbraw/zinc/68/41/29/822684129.db2.gz KKEMRMPMUVGSIX-QWHCGFSZSA-N 1 1 395.415 4.221 20 5 GIBDMO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000184859669 822701986 /nfs/dbraw/zinc/70/19/86/822701986.db2.gz VVCJYBKTIYNKDR-HNNXBMFYSA-N 1 1 394.431 4.238 20 5 GIBDMO Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 ZINC000051064259 822745799 /nfs/dbraw/zinc/74/57/99/822745799.db2.gz MALZQYFQTZVILC-SFHVURJKSA-N 1 1 392.459 4.408 20 5 GIBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000456124388 822780968 /nfs/dbraw/zinc/78/09/68/822780968.db2.gz SDQINORQSHWLNI-UHFFFAOYSA-N 1 1 387.867 4.033 20 5 GIBDMO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000052310094 822795711 /nfs/dbraw/zinc/79/57/11/822795711.db2.gz AKDSAGQXSQREDV-UHFFFAOYSA-N 1 1 396.274 4.405 20 5 GIBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000052310094 822795714 /nfs/dbraw/zinc/79/57/14/822795714.db2.gz AKDSAGQXSQREDV-UHFFFAOYSA-N 1 1 396.274 4.405 20 5 GIBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000174528217 822801515 /nfs/dbraw/zinc/80/15/15/822801515.db2.gz IFAOKFDFODXIJW-INIZCTEOSA-N 1 1 399.516 4.160 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000052510354 822802143 /nfs/dbraw/zinc/80/21/43/822802143.db2.gz ZSFVLHHZPXYYLA-UHFFFAOYSA-N 1 1 377.326 4.115 20 5 GIBDMO CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000174618327 822813318 /nfs/dbraw/zinc/81/33/18/822813318.db2.gz QIXBFWRHIUCVBN-LBPRGKRZSA-N 1 1 396.390 4.494 20 5 GIBDMO CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000174618327 822813320 /nfs/dbraw/zinc/81/33/20/822813320.db2.gz QIXBFWRHIUCVBN-LBPRGKRZSA-N 1 1 396.390 4.494 20 5 GIBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000053112536 822822350 /nfs/dbraw/zinc/82/23/50/822822350.db2.gz XWPKAHVSOVBJPM-UHFFFAOYSA-N 1 1 381.354 4.074 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000053235938 822827362 /nfs/dbraw/zinc/82/73/62/822827362.db2.gz RVTASVWSWAWLIT-CYBMUJFWSA-N 1 1 391.855 4.278 20 5 GIBDMO Cc1csc(C2([NH2+]CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CCCC2)n1 ZINC000175019676 822868619 /nfs/dbraw/zinc/86/86/19/822868619.db2.gz QGYRYJFABYYZNS-UHFFFAOYSA-N 1 1 394.884 4.011 20 5 GIBDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000570150974 823010729 /nfs/dbraw/zinc/01/07/29/823010729.db2.gz PKRAPHOPMHUTGA-QAJUQPOASA-N 1 1 399.491 4.401 20 5 GIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000175800131 823043248 /nfs/dbraw/zinc/04/32/48/823043248.db2.gz MIIBFXFDIQIVON-CYBMUJFWSA-N 1 1 396.472 4.302 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000190455920 823577236 /nfs/dbraw/zinc/57/72/36/823577236.db2.gz FCWCQAHYWZBFFU-LLVKDONJSA-N 1 1 395.253 4.225 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000411725242 823600303 /nfs/dbraw/zinc/60/03/03/823600303.db2.gz NPWKOBKGDXYRGK-BEFAXECRSA-N 1 1 383.448 4.015 20 5 GIBDMO CC(C)CCSc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000124766038 823624427 /nfs/dbraw/zinc/62/44/27/823624427.db2.gz VEPPMVALZNMAPZ-RDJZCZTQSA-N 1 1 393.553 4.288 20 5 GIBDMO C[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)CC1CC(O)C1 ZINC000191156386 823654528 /nfs/dbraw/zinc/65/45/28/823654528.db2.gz YHKZEAGAXFGHAX-UHFFFAOYSA-N 1 1 376.840 4.243 20 5 GIBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000191339973 823673936 /nfs/dbraw/zinc/67/39/36/823673936.db2.gz YSWKSRRHRLKLBP-UHFFFAOYSA-N 1 1 376.501 4.187 20 5 GIBDMO Cn1ccnc1[C@@H]([NH2+]CC1(Cc2ccccc2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000574539923 823759497 /nfs/dbraw/zinc/75/94/97/823759497.db2.gz MSLVJYILVYIJGI-NRFANRHFSA-N 1 1 390.487 4.420 20 5 GIBDMO Cc1cc(N2CCC(Cc3[nH+]ccn3C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461956881 823771739 /nfs/dbraw/zinc/77/17/39/823771739.db2.gz OFYDWKHQXIGHJN-UHFFFAOYSA-N 1 1 382.386 4.115 20 5 GIBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1cc2ccccc2o1 ZINC000064348831 823797953 /nfs/dbraw/zinc/79/79/53/823797953.db2.gz SOLWFUTYEJFLEO-OAHLLOKOSA-N 1 1 381.432 4.387 20 5 GIBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1cc2ccccc2o1 ZINC000064348831 823797958 /nfs/dbraw/zinc/79/79/58/823797958.db2.gz SOLWFUTYEJFLEO-OAHLLOKOSA-N 1 1 381.432 4.387 20 5 GIBDMO CC(C)[N@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350295 823798387 /nfs/dbraw/zinc/79/83/87/823798387.db2.gz AOZRGIFURNOZBC-UHFFFAOYSA-N 1 1 393.390 4.045 20 5 GIBDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350295 823798394 /nfs/dbraw/zinc/79/83/94/823798394.db2.gz AOZRGIFURNOZBC-UHFFFAOYSA-N 1 1 393.390 4.045 20 5 GIBDMO Cc1c(Cl)cccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350552 823799133 /nfs/dbraw/zinc/79/91/33/823799133.db2.gz MOXMNSCAZYXCKU-UHFFFAOYSA-N 1 1 375.856 4.406 20 5 GIBDMO Cc1c(Cl)cccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350552 823799138 /nfs/dbraw/zinc/79/91/38/823799138.db2.gz MOXMNSCAZYXCKU-UHFFFAOYSA-N 1 1 375.856 4.406 20 5 GIBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)c1cccc(OC)c1 ZINC000164836772 823822070 /nfs/dbraw/zinc/82/20/70/823822070.db2.gz ZHWIBCVGNMMVEL-MRXNPFEDSA-N 1 1 385.464 4.324 20 5 GIBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000126548641 823895633 /nfs/dbraw/zinc/89/56/33/823895633.db2.gz RDQSHMATTRWIFC-YJBOKZPZSA-N 1 1 385.439 4.032 20 5 GIBDMO CCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000170652435 823927304 /nfs/dbraw/zinc/92/73/04/823927304.db2.gz AKSSMLYSGRZPTF-UHFFFAOYSA-N 1 1 399.466 4.251 20 5 GIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2)C1 ZINC000170793904 823972643 /nfs/dbraw/zinc/97/26/43/823972643.db2.gz JLLGUDHDOBHVSL-ZDUSSCGKSA-N 1 1 389.402 4.357 20 5 GIBDMO CN(C)c1ncccc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000171049887 824047792 /nfs/dbraw/zinc/04/77/92/824047792.db2.gz LWGFMXNSUZVGFA-UHFFFAOYSA-N 1 1 386.839 4.259 20 5 GIBDMO NC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000055870476 823057405 /nfs/dbraw/zinc/05/74/05/823057405.db2.gz AHAGDWLIEXMLPY-HXUWFJFHSA-N 1 1 395.846 4.226 20 5 GIBDMO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000571006726 823119242 /nfs/dbraw/zinc/11/92/42/823119242.db2.gz KUGUAHYYPPPEKM-SFHVURJKSA-N 1 1 397.431 4.251 20 5 GIBDMO CC(C)c1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000187804809 823137432 /nfs/dbraw/zinc/13/74/32/823137432.db2.gz WZHSXMMJHYCLDH-IBGZPJMESA-N 1 1 395.503 4.312 20 5 GIBDMO CC(C)c1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000187804825 823137480 /nfs/dbraw/zinc/13/74/80/823137480.db2.gz WZHSXMMJHYCLDH-LJQANCHMSA-N 1 1 395.503 4.312 20 5 GIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000121253107 823148341 /nfs/dbraw/zinc/14/83/41/823148341.db2.gz VIXJBVXWIMHQDD-INIZCTEOSA-N 1 1 385.420 4.103 20 5 GIBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(Cl)cc(Br)c3)CC2)n1 ZINC000459419218 823188599 /nfs/dbraw/zinc/18/85/99/823188599.db2.gz DNKQIKZVLPPSON-UHFFFAOYSA-N 1 1 399.676 4.044 20 5 GIBDMO CC(C)(O)C1C[NH+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000459605834 823228769 /nfs/dbraw/zinc/22/87/69/823228769.db2.gz AMGSYAKRTGKVIU-UHFFFAOYSA-N 1 1 376.840 4.243 20 5 GIBDMO O=C(C[N@H+](CCc1ccc(F)cc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000571918404 823253918 /nfs/dbraw/zinc/25/39/18/823253918.db2.gz KXZLHBJUIYYABM-UHFFFAOYSA-N 1 1 391.830 4.033 20 5 GIBDMO O=C(C[N@@H+](CCc1ccc(F)cc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000571918404 823253922 /nfs/dbraw/zinc/25/39/22/823253922.db2.gz KXZLHBJUIYYABM-UHFFFAOYSA-N 1 1 391.830 4.033 20 5 GIBDMO O=[N+]([O-])c1ccc2nc(N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)ccc2c1 ZINC000409652971 823274709 /nfs/dbraw/zinc/27/47/09/823274709.db2.gz RJXYLUFHWBCATG-INIZCTEOSA-N 1 1 377.448 4.060 20 5 GIBDMO O=C(CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000122051804 823299050 /nfs/dbraw/zinc/29/90/50/823299050.db2.gz OTIZAXKMAZCBOP-KRWDZBQOSA-N 1 1 396.472 4.370 20 5 GIBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(c4nc5ccccc5o4)CC3)nc2c1 ZINC000176986165 823342846 /nfs/dbraw/zinc/34/28/46/823342846.db2.gz LWHFIQGLDHIPQR-UHFFFAOYSA-N 1 1 378.388 4.257 20 5 GIBDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177036820 823355837 /nfs/dbraw/zinc/35/58/37/823355837.db2.gz CWNIMNWXIJPGPH-UHFFFAOYSA-N 1 1 392.415 4.456 20 5 GIBDMO CCOc1cc(C[N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)ccc1[N+](=O)[O-] ZINC000572552000 823359390 /nfs/dbraw/zinc/35/93/90/823359390.db2.gz AVDFYPNCPZUQLK-UHFFFAOYSA-N 1 1 396.390 4.236 20 5 GIBDMO CCOc1cc(C[N@@H+](C)Cc2ccc(OC(F)F)c(OC)c2)ccc1[N+](=O)[O-] ZINC000572552000 823359396 /nfs/dbraw/zinc/35/93/96/823359396.db2.gz AVDFYPNCPZUQLK-UHFFFAOYSA-N 1 1 396.390 4.236 20 5 GIBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000026335776 820085484 /nfs/dbraw/zinc/08/54/84/820085484.db2.gz AFVVFVLCHPEVPP-CYBMUJFWSA-N 1 1 395.381 4.381 20 5 GIBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000026335776 820085491 /nfs/dbraw/zinc/08/54/91/820085491.db2.gz AFVVFVLCHPEVPP-CYBMUJFWSA-N 1 1 395.381 4.381 20 5 GIBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000026708874 820135625 /nfs/dbraw/zinc/13/56/25/820135625.db2.gz WXOZEDACKXRMNB-UHFFFAOYSA-N 1 1 380.473 4.041 20 5 GIBDMO COc1cc(C[N@H+](C)CCOc2cccc(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000027374304 820233640 /nfs/dbraw/zinc/23/36/40/820233640.db2.gz JPVYQUIXXXJIDJ-UHFFFAOYSA-N 1 1 396.390 4.024 20 5 GIBDMO COc1cc(C[N@@H+](C)CCOc2cccc(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000027374304 820233645 /nfs/dbraw/zinc/23/36/45/820233645.db2.gz JPVYQUIXXXJIDJ-UHFFFAOYSA-N 1 1 396.390 4.024 20 5 GIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000410351958 823471117 /nfs/dbraw/zinc/47/11/17/823471117.db2.gz GVLVAZVRYBIIHI-MRXNPFEDSA-N 1 1 382.464 4.148 20 5 GIBDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000032791955 821008413 /nfs/dbraw/zinc/00/84/13/821008413.db2.gz BEVUTQYDMWPVIL-VHSXEESVSA-N 1 1 383.782 4.204 20 5 GIBDMO C[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000177887858 823541641 /nfs/dbraw/zinc/54/16/41/823541641.db2.gz IWAYGBIJAPDFBK-UHFFFAOYSA-N 1 1 381.354 4.074 20 5 GIBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000180866027 821502327 /nfs/dbraw/zinc/50/23/27/821502327.db2.gz IWRZJBDNTPXBHV-HIFRSBDPSA-N 1 1 376.840 4.243 20 5 GIBDMO Cc1cccc(C[NH+](CCc2ccc([N+](=O)[O-])cc2)Cc2cccc(C)n2)n1 ZINC000177997606 822276123 /nfs/dbraw/zinc/27/61/23/822276123.db2.gz HDZRCJJOTUYLOP-UHFFFAOYSA-N 1 1 376.460 4.247 20 5 GIBDMO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000046794635 822517786 /nfs/dbraw/zinc/51/77/86/822517786.db2.gz ZVJSXBMTVBWKBQ-QGZVFWFLSA-N 1 1 381.476 4.208 20 5 GIBDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1cc(F)ccc1F ZINC000179792419 822553914 /nfs/dbraw/zinc/55/39/14/822553914.db2.gz CFJRYGYMLFIQFS-MLGOLLRUSA-N 1 1 377.391 4.249 20 5 GIBDMO COc1cc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1F ZINC000184311555 822612606 /nfs/dbraw/zinc/61/26/06/822612606.db2.gz LGFRABLPMDTSNK-SNVBAGLBSA-N 1 1 388.317 4.492 20 5 GIBDMO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 ZINC000051064261 822745775 /nfs/dbraw/zinc/74/57/75/822745775.db2.gz MALZQYFQTZVILC-GOSISDBHSA-N 1 1 392.459 4.408 20 5 GIBDMO COc1ccc(C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000053098044 822821663 /nfs/dbraw/zinc/82/16/63/822821663.db2.gz KPCHSXUNWVGYIO-MRXNPFEDSA-N 1 1 397.475 4.151 20 5 GIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)o1 ZINC000186441954 822896243 /nfs/dbraw/zinc/89/62/43/822896243.db2.gz HYCKYHMBEXCZTC-JOCHJYFZSA-N 1 1 376.412 4.486 20 5 GIBDMO CCOc1ccc([C@@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000186641892 822928068 /nfs/dbraw/zinc/92/80/68/822928068.db2.gz KPDXJGNOSVLIEF-SZNDQCEHSA-N 1 1 398.438 4.306 20 5 GIBDMO CC[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C ZINC000569516621 822933092 /nfs/dbraw/zinc/93/30/92/822933092.db2.gz SGUZZHLDNWBEDX-TZIWHRDSSA-N 1 1 394.475 4.173 20 5 GIBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](CCc3ccccc3)C1)CCC2 ZINC000569588430 822942788 /nfs/dbraw/zinc/94/27/88/822942788.db2.gz YPQTUBMXIRIEQC-CVDCTZTESA-N 1 1 379.504 4.126 20 5 GIBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CCC2 ZINC000569588430 822942790 /nfs/dbraw/zinc/94/27/90/822942790.db2.gz YPQTUBMXIRIEQC-CVDCTZTESA-N 1 1 379.504 4.126 20 5 GIBDMO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(-n2cc(Cl)cn2)n1 ZINC000190305087 823561065 /nfs/dbraw/zinc/56/10/65/823561065.db2.gz FQZKIIHXLKBNBM-UHFFFAOYSA-N 1 1 392.246 4.081 20 5 GIBDMO COc1ccc(NC(=O)CC[N@H+]2CCCCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000411290005 823562628 /nfs/dbraw/zinc/56/26/28/823562628.db2.gz HZDHNRIAIVPNOC-KRWDZBQOSA-N 1 1 387.436 4.142 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000060869474 823563710 /nfs/dbraw/zinc/56/37/10/823563710.db2.gz GCUDICSLDQTTBH-OAHLLOKOSA-N 1 1 383.448 4.230 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000411725244 823600269 /nfs/dbraw/zinc/60/02/69/823600269.db2.gz NPWKOBKGDXYRGK-HNAYVOBHSA-N 1 1 383.448 4.015 20 5 GIBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000461570055 823661912 /nfs/dbraw/zinc/66/19/12/823661912.db2.gz FHYNXVLCQBLDAF-UHFFFAOYSA-N 1 1 393.487 4.256 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000063522270 823677568 /nfs/dbraw/zinc/67/75/68/823677568.db2.gz ABNJPFYKBKCKBQ-UHFFFAOYSA-N 1 1 389.402 4.175 20 5 GIBDMO O=[N+]([O-])c1cc(C[N@@H+](CCc2ccccc2)C2CCCC2)c2c(c1)COCO2 ZINC000063754887 823693811 /nfs/dbraw/zinc/69/38/11/823693811.db2.gz IWKCWUMBCRTZLS-UHFFFAOYSA-N 1 1 382.460 4.449 20 5 GIBDMO Cc1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461973789 823777995 /nfs/dbraw/zinc/77/79/95/823777995.db2.gz RJYVFIKHGKYZME-AWEZNQCLSA-N 1 1 394.397 4.200 20 5 GIBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)c1cc2ccccc2o1 ZINC000064349187 823798370 /nfs/dbraw/zinc/79/83/70/823798370.db2.gz CNKSJYNYGQCWAV-CQSZACIVSA-N 1 1 397.431 4.371 20 5 GIBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)c1cc2ccccc2o1 ZINC000064349187 823798376 /nfs/dbraw/zinc/79/83/76/823798376.db2.gz CNKSJYNYGQCWAV-CQSZACIVSA-N 1 1 397.431 4.371 20 5 GIBDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000574827064 823835554 /nfs/dbraw/zinc/83/55/54/823835554.db2.gz OIANGEKNSKZKIS-OAHLLOKOSA-N 1 1 394.855 4.136 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000165186414 823838522 /nfs/dbraw/zinc/83/85/22/823838522.db2.gz HOZDLRVPECFYLW-ZDUSSCGKSA-N 1 1 377.391 4.203 20 5 GIBDMO CC1(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000414947238 824053345 /nfs/dbraw/zinc/05/33/45/824053345.db2.gz VUOFDNWIJDEQNC-UHFFFAOYSA-N 1 1 375.856 4.272 20 5 GIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164627811 719071043 /nfs/dbraw/zinc/07/10/43/719071043.db2.gz QWCYGSJYIWERDP-SJLPKXTDSA-N 1 1 386.883 4.052 20 5 GIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164627810 719071392 /nfs/dbraw/zinc/07/13/92/719071392.db2.gz QWCYGSJYIWERDP-FUHWJXTLSA-N 1 1 386.883 4.052 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000570760991 823082483 /nfs/dbraw/zinc/08/24/83/823082483.db2.gz DHOAXXABBSAAEV-KRWDZBQOSA-N 1 1 396.422 4.472 20 5 GIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)C[C@@H]1CCC[N@H+]1CC ZINC000570838638 823093974 /nfs/dbraw/zinc/09/39/74/823093974.db2.gz IUXZIIXKOYPLTP-INIZCTEOSA-N 1 1 379.526 4.043 20 5 GIBDMO CC(C)CCSc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000121222093 823141472 /nfs/dbraw/zinc/14/14/72/823141472.db2.gz ATBGUPYLWKFFSF-WBVHZDCISA-N 1 1 393.553 4.145 20 5 GIBDMO C[C@@]1(c2ccccc2)C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000121339744 823166021 /nfs/dbraw/zinc/16/60/21/823166021.db2.gz FOUOEZMJWALIAW-QFIPXVFZSA-N 1 1 393.443 4.040 20 5 GIBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000121353936 823169180 /nfs/dbraw/zinc/16/91/80/823169180.db2.gz QHMYVUWRHDTPHF-RDJZCZTQSA-N 1 1 394.258 4.077 20 5 GIBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000121353936 823169186 /nfs/dbraw/zinc/16/91/86/823169186.db2.gz QHMYVUWRHDTPHF-RDJZCZTQSA-N 1 1 394.258 4.077 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000121686345 823230585 /nfs/dbraw/zinc/23/05/85/823230585.db2.gz RUTXGWVWESEQOM-GJZGRUSLSA-N 1 1 393.447 4.210 20 5 GIBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459674579 823248053 /nfs/dbraw/zinc/24/80/53/823248053.db2.gz ZKZQWNLEMCATMQ-OAHLLOKOSA-N 1 1 392.805 4.429 20 5 GIBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459674579 823248056 /nfs/dbraw/zinc/24/80/56/823248056.db2.gz ZKZQWNLEMCATMQ-OAHLLOKOSA-N 1 1 392.805 4.429 20 5 GIBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1OC(F)F ZINC000409639960 823270258 /nfs/dbraw/zinc/27/02/58/823270258.db2.gz SXEAWLDICLUXJO-CYBMUJFWSA-N 1 1 392.406 4.113 20 5 GIBDMO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176723366 823277379 /nfs/dbraw/zinc/27/73/79/823277379.db2.gz QHDQUAHPFXGEGE-HOCLYGCPSA-N 1 1 387.867 4.031 20 5 GIBDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000122089970 823304728 /nfs/dbraw/zinc/30/47/28/823304728.db2.gz HCELGWAPTNNOCO-CQSZACIVSA-N 1 1 390.509 4.252 20 5 GIBDMO COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1OC(F)F ZINC000015036111 818285460 /nfs/dbraw/zinc/28/54/60/818285460.db2.gz MMGUCZMAJOLPAP-UHFFFAOYSA-N 1 1 378.375 4.369 20 5 GIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000057874085 823343741 /nfs/dbraw/zinc/34/37/41/823343741.db2.gz YGOIFTCUAXPFAG-LLVKDONJSA-N 1 1 382.247 4.499 20 5 GIBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000177065765 823362770 /nfs/dbraw/zinc/36/27/70/823362770.db2.gz GKHZUYQPVVBTHM-BLLLJJGKSA-N 1 1 393.896 4.123 20 5 GIBDMO Cc1c(NC(=O)CC[N@@H+](C)Cc2c(F)cccc2Cl)cccc1[N+](=O)[O-] ZINC000026225523 820071674 /nfs/dbraw/zinc/07/16/74/820071674.db2.gz UVEDWSGHJAPZHN-UHFFFAOYSA-N 1 1 379.819 4.156 20 5 GIBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2c(F)cccc2Cl)cccc1[N+](=O)[O-] ZINC000026225523 820071682 /nfs/dbraw/zinc/07/16/82/820071682.db2.gz UVEDWSGHJAPZHN-UHFFFAOYSA-N 1 1 379.819 4.156 20 5 GIBDMO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1Cl ZINC000026347988 820087098 /nfs/dbraw/zinc/08/70/98/820087098.db2.gz INLBQFWNYGPIAO-LLVKDONJSA-N 1 1 394.258 4.142 20 5 GIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000573371744 823485736 /nfs/dbraw/zinc/48/57/36/823485736.db2.gz GNMPPMCSQXKLAQ-OXQOHEQNSA-N 1 1 396.491 4.189 20 5 GIBDMO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000030002563 820566011 /nfs/dbraw/zinc/56/60/11/820566011.db2.gz GGDJUOLWOARADB-GFCCVEGCSA-N 1 1 396.390 4.406 20 5 GIBDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000030002563 820566017 /nfs/dbraw/zinc/56/60/17/820566017.db2.gz GGDJUOLWOARADB-GFCCVEGCSA-N 1 1 396.390 4.406 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cs2)c1 ZINC000180780585 821453011 /nfs/dbraw/zinc/45/30/11/821453011.db2.gz KUKJNJIFJYQLHO-OXQOHEQNSA-N 1 1 398.532 4.167 20 5 GIBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000180865974 821501834 /nfs/dbraw/zinc/50/18/34/821501834.db2.gz IWRZJBDNTPXBHV-DZGCQCFKSA-N 1 1 376.840 4.243 20 5 GIBDMO Cc1c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000044877244 821675521 /nfs/dbraw/zinc/67/55/21/821675521.db2.gz DEFBSWIDKQLTLQ-INIZCTEOSA-N 1 1 381.476 4.065 20 5 GIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000181468994 821840462 /nfs/dbraw/zinc/84/04/62/821840462.db2.gz CTAVNIDALVFGPQ-OAHLLOKOSA-N 1 1 379.526 4.042 20 5 GIBDMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182328182 822203568 /nfs/dbraw/zinc/20/35/68/822203568.db2.gz GBWMVFYMMXNKSV-UHFFFAOYSA-N 1 1 391.830 4.238 20 5 GIBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(Cl)c1 ZINC000182463678 822252886 /nfs/dbraw/zinc/25/28/86/822252886.db2.gz DMBBEMQGPCMNBS-UHFFFAOYSA-N 1 1 388.777 4.301 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000178728845 822405855 /nfs/dbraw/zinc/40/58/55/822405855.db2.gz JVPVUFHYEVGWBC-LLVKDONJSA-N 1 1 382.363 4.064 20 5 GIBDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000183470719 822480038 /nfs/dbraw/zinc/48/00/38/822480038.db2.gz POWHBYHXEIZHOO-QGZVFWFLSA-N 1 1 378.432 4.251 20 5 GIBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)cc1 ZINC000179691925 822528425 /nfs/dbraw/zinc/52/84/25/822528425.db2.gz UXOUCZCEFVFBMV-LLVKDONJSA-N 1 1 393.237 4.075 20 5 GIBDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1cc(F)ccc1F ZINC000179792392 822554056 /nfs/dbraw/zinc/55/40/56/822554056.db2.gz CFJRYGYMLFIQFS-BLLLJJGKSA-N 1 1 377.391 4.249 20 5 GIBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000047262090 822559565 /nfs/dbraw/zinc/55/95/65/822559565.db2.gz PQVUIXUONFXIOP-ZFWWWQNUSA-N 1 1 388.855 4.055 20 5 GIBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000179834697 822562663 /nfs/dbraw/zinc/56/26/63/822562663.db2.gz MCGMKNVAFNRABK-CLFYSBASSA-N 1 1 380.492 4.242 20 5 GIBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)c2ccccc2)c1 ZINC000180078760 822610999 /nfs/dbraw/zinc/61/09/99/822610999.db2.gz NKKFFQIRWLWZJF-QHCPKHFHSA-N 1 1 388.471 4.469 20 5 GIBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1 ZINC000174407633 822786297 /nfs/dbraw/zinc/78/62/97/822786297.db2.gz QUWILUSNRKHYCQ-GOSISDBHSA-N 1 1 376.840 4.096 20 5 GIBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000174528231 822801540 /nfs/dbraw/zinc/80/15/40/822801540.db2.gz IFAOKFDFODXIJW-MRXNPFEDSA-N 1 1 399.516 4.160 20 5 GIBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H](C)c1ccc(F)cc1 ZINC000053088634 822821048 /nfs/dbraw/zinc/82/10/48/822821048.db2.gz WIVXEOSNLSEBNL-CQSZACIVSA-N 1 1 389.427 4.154 20 5 GIBDMO O=C(C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1)N1CCc2ccccc21 ZINC000174833910 822843603 /nfs/dbraw/zinc/84/36/03/822843603.db2.gz HEZUDGWFJRNKTK-UHFFFAOYSA-N 1 1 399.878 4.050 20 5 GIBDMO COc1ccc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000053720518 822845930 /nfs/dbraw/zinc/84/59/30/822845930.db2.gz RYHAOSIFBTYFAU-OAHLLOKOSA-N 1 1 383.448 4.230 20 5 GIBDMO COc1cccc(C([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cccc(OC)c2)c1 ZINC000174928418 822857232 /nfs/dbraw/zinc/85/72/32/822857232.db2.gz KFCNLZLTAIZPES-UHFFFAOYSA-N 1 1 378.428 4.491 20 5 GIBDMO C[N@@H+](CCCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C1CC1 ZINC000457193903 822859941 /nfs/dbraw/zinc/85/99/41/822859941.db2.gz DLQYSEORIDVCQG-UHFFFAOYSA-N 1 1 399.516 4.350 20 5 GIBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000175096930 822881741 /nfs/dbraw/zinc/88/17/41/822881741.db2.gz QCNZTHMLHOMGSA-UHFFFAOYSA-N 1 1 398.466 4.140 20 5 GIBDMO CC[N@@H+](CCC1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000569306455 822904841 /nfs/dbraw/zinc/90/48/41/822904841.db2.gz CPBXTOYIPIAXBB-SFHVURJKSA-N 1 1 389.540 4.305 20 5 GIBDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000055152627 822941460 /nfs/dbraw/zinc/94/14/60/822941460.db2.gz QJQJEQSYGAMALM-GHMZBOCLSA-N 1 1 395.818 4.074 20 5 GIBDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000055152645 822941529 /nfs/dbraw/zinc/94/15/29/822941529.db2.gz GFNCPLTXZPOFQP-MNOVXSKESA-N 1 1 395.818 4.074 20 5 GIBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](CCc3ccccc3)C1)CCC2 ZINC000569588432 822942685 /nfs/dbraw/zinc/94/26/85/822942685.db2.gz YPQTUBMXIRIEQC-WMZHIEFXSA-N 1 1 379.504 4.126 20 5 GIBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CCC2 ZINC000569588432 822942690 /nfs/dbraw/zinc/94/26/90/822942690.db2.gz YPQTUBMXIRIEQC-WMZHIEFXSA-N 1 1 379.504 4.126 20 5 GIBDMO CSc1cccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1[N+](=O)[O-] ZINC000186735311 822947284 /nfs/dbraw/zinc/94/72/84/822947284.db2.gz PHXVHFUOZAPKNE-ZDUSSCGKSA-N 1 1 396.472 4.302 20 5 GIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000175800150 823043301 /nfs/dbraw/zinc/04/33/01/823043301.db2.gz MIIBFXFDIQIVON-ZDUSSCGKSA-N 1 1 396.472 4.302 20 5 GIBDMO CC[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411177628 823554771 /nfs/dbraw/zinc/55/47/71/823554771.db2.gz WHCKTPRSTQABDH-INIZCTEOSA-N 1 1 389.477 4.003 20 5 GIBDMO CCc1cc(NC[C@H]2CCC[N@H+](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063738865 823692851 /nfs/dbraw/zinc/69/28/51/823692851.db2.gz IWUNCOYNDAKSAK-MRXNPFEDSA-N 1 1 383.496 4.147 20 5 GIBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2cccnc21 ZINC000413280301 823744170 /nfs/dbraw/zinc/74/41/70/823744170.db2.gz IORGUFSDGKHRAQ-HNNXBMFYSA-N 1 1 377.448 4.060 20 5 GIBDMO CC[C@@H]([NH2+][C@H](CCSC)c1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000164271880 823792253 /nfs/dbraw/zinc/79/22/53/823792253.db2.gz UOJBBPUDZDCAQR-IAGOWNOFSA-N 1 1 385.493 4.173 20 5 GIBDMO CC(C)[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350354 823799251 /nfs/dbraw/zinc/79/92/51/823799251.db2.gz QHBBFYDAMDJATI-OAHLLOKOSA-N 1 1 389.883 4.336 20 5 GIBDMO CC(C)[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350354 823799260 /nfs/dbraw/zinc/79/92/60/823799260.db2.gz QHBBFYDAMDJATI-OAHLLOKOSA-N 1 1 389.883 4.336 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000126714705 823933909 /nfs/dbraw/zinc/93/39/09/823933909.db2.gz BZBAOLXITZQRBN-SNVBAGLBSA-N 1 1 383.217 4.356 20 5 GIBDMO Cn1ncc2c1CCC[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C2 ZINC000414472001 823991336 /nfs/dbraw/zinc/99/13/36/823991336.db2.gz NBZVEJFEVYYQEE-UHFFFAOYSA-N 1 1 386.839 4.190 20 5 GIBDMO Clc1ccc2ccc3ccc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)nc3c2n1 ZINC001164771969 721289269 /nfs/dbraw/zinc/28/92/69/721289269.db2.gz BFGBMPGZBWMDDD-UHFFFAOYSA-N 1 1 378.907 4.359 20 5 GIBDMO O=[N+]([O-])c1cc(Cl)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164994546 722191867 /nfs/dbraw/zinc/19/18/67/722191867.db2.gz NUYUGZRCXLTIGN-IBGZPJMESA-N 1 1 390.846 4.027 20 5 GIBDMO COc1ccc(C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000120719405 823052145 /nfs/dbraw/zinc/05/21/45/823052145.db2.gz RVNZRMBAISERHI-UHFFFAOYSA-N 1 1 392.459 4.169 20 5 GIBDMO CC(C)C[N@H+]1CCC[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000120754758 823057569 /nfs/dbraw/zinc/05/75/69/823057569.db2.gz TXXAHLFPOHUWKG-MRXNPFEDSA-N 1 1 388.537 4.176 20 5 GIBDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000121159942 823129896 /nfs/dbraw/zinc/12/98/96/823129896.db2.gz CGIDPOUZLBXPOP-UHFFFAOYSA-N 1 1 395.484 4.315 20 5 GIBDMO C[NH+]1CCC(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000121195692 823136213 /nfs/dbraw/zinc/13/62/13/823136213.db2.gz VMFXFSRQRRUUGA-UHFFFAOYSA-N 1 1 375.856 4.224 20 5 GIBDMO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)c1 ZINC000571295374 823161710 /nfs/dbraw/zinc/16/17/10/823161710.db2.gz WNQXTNISKYZHEC-CYBMUJFWSA-N 1 1 376.254 4.050 20 5 GIBDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)c1 ZINC000571295374 823161712 /nfs/dbraw/zinc/16/17/12/823161712.db2.gz WNQXTNISKYZHEC-CYBMUJFWSA-N 1 1 376.254 4.050 20 5 GIBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121419348 823181251 /nfs/dbraw/zinc/18/12/51/823181251.db2.gz YKEWEXJOTLRDMD-CZUORRHYSA-N 1 1 382.395 4.162 20 5 GIBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000176415647 823203766 /nfs/dbraw/zinc/20/37/66/823203766.db2.gz XHLTXVLSRUTSPB-UHFFFAOYSA-N 1 1 375.856 4.018 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000121686158 823230434 /nfs/dbraw/zinc/23/04/34/823230434.db2.gz RUTXGWVWESEQOM-CABCVRRESA-N 1 1 393.447 4.210 20 5 GIBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459674578 823248096 /nfs/dbraw/zinc/24/80/96/823248096.db2.gz ZKZQWNLEMCATMQ-HNNXBMFYSA-N 1 1 392.805 4.429 20 5 GIBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459674578 823248100 /nfs/dbraw/zinc/24/81/00/823248100.db2.gz ZKZQWNLEMCATMQ-HNNXBMFYSA-N 1 1 392.805 4.429 20 5 GIBDMO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000006649490 817714928 /nfs/dbraw/zinc/71/49/28/817714928.db2.gz JAMCUYNCUFRWCW-CYBMUJFWSA-N 1 1 391.855 4.106 20 5 GIBDMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000006649490 817714934 /nfs/dbraw/zinc/71/49/34/817714934.db2.gz JAMCUYNCUFRWCW-CYBMUJFWSA-N 1 1 391.855 4.106 20 5 GIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000460112513 823286624 /nfs/dbraw/zinc/28/66/24/823286624.db2.gz TUIIEQQBRDERMP-PKOBYXMFSA-N 1 1 381.476 4.028 20 5 GIBDMO Cc1[nH+]ccn1-c1ccc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn1 ZINC000121994532 823290293 /nfs/dbraw/zinc/29/02/93/823290293.db2.gz BDTRGSSIBMYPKF-UHFFFAOYSA-N 1 1 378.219 4.403 20 5 GIBDMO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460131291 823290796 /nfs/dbraw/zinc/29/07/96/823290796.db2.gz ZZMCDVJNWRHGIV-LJQANCHMSA-N 1 1 382.464 4.032 20 5 GIBDMO Cc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000008168856 818010851 /nfs/dbraw/zinc/01/08/51/818010851.db2.gz XXRVYOOHAJBYFD-IBGZPJMESA-N 1 1 387.867 4.124 20 5 GIBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000026225755 820071601 /nfs/dbraw/zinc/07/16/01/820071601.db2.gz OQAQFMQNTLVJBB-UHFFFAOYSA-N 1 1 381.354 4.074 20 5 GIBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000026226369 820072013 /nfs/dbraw/zinc/07/20/13/820072013.db2.gz QFTXKJZFJBLGTL-UHFFFAOYSA-N 1 1 382.247 4.362 20 5 GIBDMO COc1ccc2cc(C[N@@H+](C)CCC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000026259832 820076690 /nfs/dbraw/zinc/07/66/90/820076690.db2.gz UBQAJIBMMDEZFX-UHFFFAOYSA-N 1 1 393.443 4.217 20 5 GIBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000177402548 823454213 /nfs/dbraw/zinc/45/42/13/823454213.db2.gz IIUAZSZSFHJIBL-SJORKVTESA-N 1 1 388.468 4.060 20 5 GIBDMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc([N+](=O)[O-])cc1Cl ZINC000029635818 820488900 /nfs/dbraw/zinc/48/89/00/820488900.db2.gz NMAYZEXEAKKMDS-UHFFFAOYSA-N 1 1 394.884 4.333 20 5 GIBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 ZINC000030959015 820711572 /nfs/dbraw/zinc/71/15/72/820711572.db2.gz YBHZARAYBUALAW-UHFFFAOYSA-N 1 1 385.464 4.187 20 5 GIBDMO COc1ccc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000060482341 823533015 /nfs/dbraw/zinc/53/30/15/823533015.db2.gz ZVYYNLQHCKHXEI-UHFFFAOYSA-N 1 1 388.851 4.352 20 5 GIBDMO COc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cc1Br ZINC000182072311 822082317 /nfs/dbraw/zinc/08/23/17/822082317.db2.gz IZJFVQBZNMJOTN-JTQLQIEISA-N 1 1 383.217 4.356 20 5 GIBDMO Cc1c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000179252688 822457552 /nfs/dbraw/zinc/45/75/52/822457552.db2.gz VKGMQEXWXQMECK-SJLPKXTDSA-N 1 1 388.855 4.124 20 5 GIBDMO Cc1c(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000179252688 822457555 /nfs/dbraw/zinc/45/75/55/822457555.db2.gz VKGMQEXWXQMECK-SJLPKXTDSA-N 1 1 388.855 4.124 20 5 GIBDMO Cc1csc([C@H]([NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)n1 ZINC000183553048 822493909 /nfs/dbraw/zinc/49/39/09/822493909.db2.gz GQONVRHGCHRPSF-MEBBXXQBSA-N 1 1 394.884 4.081 20 5 GIBDMO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000046794633 822517798 /nfs/dbraw/zinc/51/77/98/822517798.db2.gz ZVJSXBMTVBWKBQ-KRWDZBQOSA-N 1 1 381.476 4.208 20 5 GIBDMO COc1cc(C[N@@H+](C)Cc2ccncc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000183743712 822520826 /nfs/dbraw/zinc/52/08/26/822520826.db2.gz OUCVNTYCMSEERU-UHFFFAOYSA-N 1 1 393.443 4.209 20 5 GIBDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1cc(F)ccc1F ZINC000179792407 822554007 /nfs/dbraw/zinc/55/40/07/822554007.db2.gz CFJRYGYMLFIQFS-WBMJQRKESA-N 1 1 377.391 4.249 20 5 GIBDMO COc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000179968259 822587300 /nfs/dbraw/zinc/58/73/00/822587300.db2.gz KOVRSINKMACBPW-JOCHJYFZSA-N 1 1 378.428 4.491 20 5 GIBDMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O ZINC000180012249 822596260 /nfs/dbraw/zinc/59/62/60/822596260.db2.gz RZQCVDZUENYVRD-DIFFPNOSSA-N 1 1 389.839 4.209 20 5 GIBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184628639 822668194 /nfs/dbraw/zinc/66/81/94/822668194.db2.gz NGBYRTFRTJEIPR-SOLBZPMBSA-N 1 1 399.466 4.007 20 5 GIBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cc(F)c(F)c(F)c1 ZINC000180490538 822690362 /nfs/dbraw/zinc/69/03/62/822690362.db2.gz ZAUJRALSSAZHFI-UHFFFAOYSA-N 1 1 391.349 4.342 20 5 GIBDMO COc1cccc(-c2noc([C@H](C)[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])n2)c1 ZINC000174657548 822819480 /nfs/dbraw/zinc/81/94/80/822819480.db2.gz LPORMSXAJAAXBL-MRZGDXHCSA-N 1 1 380.404 4.017 20 5 GIBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174827357 822842626 /nfs/dbraw/zinc/84/26/26/822842626.db2.gz QQDBQJXCULJPJR-UHFFFAOYSA-N 1 1 383.876 4.080 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)o2)c1 ZINC000186434328 822894785 /nfs/dbraw/zinc/89/47/85/822894785.db2.gz VQVYQMPTTDLQFA-QFIPXVFZSA-N 1 1 376.412 4.486 20 5 GIBDMO CSc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000186563333 822913895 /nfs/dbraw/zinc/91/38/95/822913895.db2.gz LNLNUVRDLCETDH-MRXNPFEDSA-N 1 1 399.516 4.053 20 5 GIBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570428030 823036622 /nfs/dbraw/zinc/03/66/22/823036622.db2.gz XYYIELKUFAQDDL-CJNGLKHVSA-N 1 1 395.866 4.017 20 5 GIBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570428030 823036628 /nfs/dbraw/zinc/03/66/28/823036628.db2.gz XYYIELKUFAQDDL-CJNGLKHVSA-N 1 1 395.866 4.017 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000411189578 823555612 /nfs/dbraw/zinc/55/56/12/823555612.db2.gz SVFUXRWMGQEJRL-IBGZPJMESA-N 1 1 383.448 4.078 20 5 GIBDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000190497092 823581068 /nfs/dbraw/zinc/58/10/68/823581068.db2.gz WPBWTWGYVRKOCO-UHFFFAOYSA-N 1 1 377.404 4.148 20 5 GIBDMO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000190497092 823581071 /nfs/dbraw/zinc/58/10/71/823581071.db2.gz WPBWTWGYVRKOCO-UHFFFAOYSA-N 1 1 377.404 4.148 20 5 GIBDMO Cc1c([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000124613843 823611258 /nfs/dbraw/zinc/61/12/58/823611258.db2.gz HAQBGGYTBZSWFP-LMMKCTJWSA-N 1 1 397.519 4.363 20 5 GIBDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000191189063 823657800 /nfs/dbraw/zinc/65/78/00/823657800.db2.gz UFVVRLNNSFLXJG-UHFFFAOYSA-N 1 1 389.459 4.499 20 5 GIBDMO CC(C)[N@H+]1CCC[C@H](CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000063739014 823692772 /nfs/dbraw/zinc/69/27/72/823692772.db2.gz CGUXFWRYDPQCSV-QGZVFWFLSA-N 1 1 381.476 4.358 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000574587262 823772879 /nfs/dbraw/zinc/77/28/79/823772879.db2.gz XKZZSJLOZGNGIL-INIZCTEOSA-N 1 1 399.413 4.286 20 5 GIBDMO COc1ccc(C[NH2+]Cc2ncccc2F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000126315467 823837911 /nfs/dbraw/zinc/83/79/11/823837911.db2.gz QBFHVCFPSVZGBT-UHFFFAOYSA-N 1 1 397.406 4.006 20 5 GIBDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)C2 ZINC000574979293 823878613 /nfs/dbraw/zinc/87/86/13/823878613.db2.gz BKUAGZXWVGNVSS-UHFFFAOYSA-N 1 1 386.448 4.254 20 5 GIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000462232149 823885726 /nfs/dbraw/zinc/88/57/26/823885726.db2.gz MTBLXQYDGSFNJP-KRWDZBQOSA-N 1 1 399.491 4.387 20 5 GIBDMO C[C@H]1C[NH2+]CC[C@@H]1NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000414936665 824051754 /nfs/dbraw/zinc/05/17/54/824051754.db2.gz GYMCLZGPHXGKBE-GUYCJALGSA-N 1 1 375.856 4.128 20 5 GIBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164993240 722195072 /nfs/dbraw/zinc/19/50/72/722195072.db2.gz DFUQTJKRZLRUHE-LJQANCHMSA-N 1 1 390.846 4.027 20 5 GIBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000175831187 823050091 /nfs/dbraw/zinc/05/00/91/823050091.db2.gz GVTKXOPIWSORBT-AEFFLSMTSA-N 1 1 376.478 4.013 20 5 GIBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175842478 823052745 /nfs/dbraw/zinc/05/27/45/823052745.db2.gz APNYZKYLIFICON-WBVHZDCISA-N 1 1 376.478 4.143 20 5 GIBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121419097 823180987 /nfs/dbraw/zinc/18/09/87/823180987.db2.gz YKEWEXJOTLRDMD-CJNGLKHVSA-N 1 1 382.395 4.162 20 5 GIBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCCC[C@H]3C[C@@H](O)c3ccco3)nc2c1 ZINC000121824132 823258121 /nfs/dbraw/zinc/25/81/21/823258121.db2.gz AZGZARKHDNEHSZ-WMLDXEAASA-N 1 1 385.420 4.197 20 5 GIBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000057222424 823266566 /nfs/dbraw/zinc/26/65/66/823266566.db2.gz LUCLWOIEDUHIKO-UHFFFAOYSA-N 1 1 379.420 4.034 20 5 GIBDMO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460131290 823290779 /nfs/dbraw/zinc/29/07/79/823290779.db2.gz ZZMCDVJNWRHGIV-IBGZPJMESA-N 1 1 382.464 4.032 20 5 GIBDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000122163556 823315310 /nfs/dbraw/zinc/31/53/10/823315310.db2.gz VMCDHAFMPHPVPX-CQSZACIVSA-N 1 1 390.509 4.252 20 5 GIBDMO Cc1ccc(OCC[N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000015102759 818290800 /nfs/dbraw/zinc/29/08/00/818290800.db2.gz GLWWTVXBKDHYGN-OAHLLOKOSA-N 1 1 382.420 4.025 20 5 GIBDMO Cc1ccc(OCC[N@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000015102759 818290808 /nfs/dbraw/zinc/29/08/08/818290808.db2.gz GLWWTVXBKDHYGN-OAHLLOKOSA-N 1 1 382.420 4.025 20 5 GIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](CCC(F)(F)F)CC3CC3)o2)c1 ZINC000177172814 823390804 /nfs/dbraw/zinc/39/08/04/823390804.db2.gz BMGZXPXOMYLPLO-UHFFFAOYSA-N 1 1 383.370 4.457 20 5 GIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000460471400 823400216 /nfs/dbraw/zinc/40/02/16/823400216.db2.gz MWAJKNCOHRONCH-UHFFFAOYSA-N 1 1 389.883 4.197 20 5 GIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000572805112 823402246 /nfs/dbraw/zinc/40/22/46/823402246.db2.gz HMEXRYXNPPUFHZ-LJQANCHMSA-N 1 1 396.491 4.327 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000026925082 820165128 /nfs/dbraw/zinc/16/51/28/820165128.db2.gz DEFGMJHYMWABRK-AWEZNQCLSA-N 1 1 397.431 4.371 20 5 GIBDMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000123088469 823460535 /nfs/dbraw/zinc/46/05/35/823460535.db2.gz KOYYAGDVILSIHF-UHFFFAOYSA-N 1 1 384.867 4.400 20 5 GIBDMO C[C@H](c1cccs1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000027554291 820259131 /nfs/dbraw/zinc/25/91/31/820259131.db2.gz JLEWFGVPJOZMCA-SNVBAGLBSA-N 1 1 398.282 4.050 20 5 GIBDMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000027554291 820259139 /nfs/dbraw/zinc/25/91/39/820259139.db2.gz JLEWFGVPJOZMCA-SNVBAGLBSA-N 1 1 398.282 4.050 20 5 GIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000410379435 823481290 /nfs/dbraw/zinc/48/12/90/823481290.db2.gz DKMSPYQUCIIDKZ-INIZCTEOSA-N 1 1 382.464 4.291 20 5 GIBDMO CC(C)(C)C[NH+](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)CC(C)(C)C ZINC000180699466 821402475 /nfs/dbraw/zinc/40/24/75/821402475.db2.gz QUKSNAXVBSVIAU-UHFFFAOYSA-N 1 1 386.496 4.170 20 5 GIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000044877271 821676347 /nfs/dbraw/zinc/67/63/47/821676347.db2.gz QVCBUQGSIRBFTM-HGZMWJMZSA-N 1 1 393.487 4.156 20 5 GIBDMO COc1ccc([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1Br ZINC000182093863 822091656 /nfs/dbraw/zinc/09/16/56/822091656.db2.gz PLVKEFIXSGZMFW-JTQLQIEISA-N 1 1 383.217 4.356 20 5 GIBDMO CC[C@@H]([NH2+]Cc1coc(-c2ccc(C(=O)OC)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000182442605 822244104 /nfs/dbraw/zinc/24/41/04/822244104.db2.gz KVZHRDHGHDPJCZ-LJQANCHMSA-N 1 1 395.415 4.277 20 5 GIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000178730281 822406182 /nfs/dbraw/zinc/40/61/82/822406182.db2.gz RHFGMGIXTVKOQS-LLVKDONJSA-N 1 1 380.828 4.125 20 5 GIBDMO Cc1cccc(Cl)c1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000179413447 822479299 /nfs/dbraw/zinc/47/92/99/822479299.db2.gz KFRLCPLMHSOUNL-UHFFFAOYSA-N 1 1 375.856 4.406 20 5 GIBDMO Cc1cccc(Cl)c1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000179413447 822479300 /nfs/dbraw/zinc/47/93/00/822479300.db2.gz KFRLCPLMHSOUNL-UHFFFAOYSA-N 1 1 375.856 4.406 20 5 GIBDMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)n1 ZINC000183561238 822494861 /nfs/dbraw/zinc/49/48/61/822494861.db2.gz ULKKCXJUVWHQCM-ZUZCIYMTSA-N 1 1 394.884 4.081 20 5 GIBDMO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000179705515 822531836 /nfs/dbraw/zinc/53/18/36/822531836.db2.gz JGQYDARGTDRFCQ-CQSZACIVSA-N 1 1 381.379 4.183 20 5 GIBDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000179705515 822531837 /nfs/dbraw/zinc/53/18/37/822531837.db2.gz JGQYDARGTDRFCQ-CQSZACIVSA-N 1 1 381.379 4.183 20 5 GIBDMO CC(C)[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(C2CC2)no1 ZINC000179830823 822561817 /nfs/dbraw/zinc/56/18/17/822561817.db2.gz CWIZFTIGHIGUHQ-SFHVURJKSA-N 1 1 397.435 4.040 20 5 GIBDMO CC(=O)Nc1cccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180117408 822618747 /nfs/dbraw/zinc/61/87/47/822618747.db2.gz XSVZCJJTXTWKIO-JOCHJYFZSA-N 1 1 375.428 4.432 20 5 GIBDMO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000054347648 822877297 /nfs/dbraw/zinc/87/72/97/822877297.db2.gz IOFSNARTQVWUSJ-UHFFFAOYSA-N 1 1 382.247 4.023 20 5 GIBDMO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000054347648 822877299 /nfs/dbraw/zinc/87/72/99/822877299.db2.gz IOFSNARTQVWUSJ-UHFFFAOYSA-N 1 1 382.247 4.023 20 5 GIBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000569614240 822944886 /nfs/dbraw/zinc/94/48/86/822944886.db2.gz JKXJFBXUJBJZKX-DLBZAZTESA-N 1 1 393.438 4.034 20 5 GIBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000186735758 822947382 /nfs/dbraw/zinc/94/73/82/822947382.db2.gz MWYLKWVCIWUQIV-DOTOQJQBSA-N 1 1 399.516 4.100 20 5 GIBDMO Cc1ccc([C@@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000175732473 823028614 /nfs/dbraw/zinc/02/86/14/823028614.db2.gz JZUKWZHAIVMGLS-QGZVFWFLSA-N 1 1 398.507 4.304 20 5 GIBDMO CC[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411177630 823554699 /nfs/dbraw/zinc/55/46/99/823554699.db2.gz WHCKTPRSTQABDH-MRXNPFEDSA-N 1 1 389.477 4.003 20 5 GIBDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000190504311 823581897 /nfs/dbraw/zinc/58/18/97/823581897.db2.gz APTBVIBZENCSES-UHFFFAOYSA-N 1 1 377.404 4.148 20 5 GIBDMO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000190504311 823581898 /nfs/dbraw/zinc/58/18/98/823581898.db2.gz APTBVIBZENCSES-UHFFFAOYSA-N 1 1 377.404 4.148 20 5 GIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000411725245 823600441 /nfs/dbraw/zinc/60/04/41/823600441.db2.gz NPWKOBKGDXYRGK-KXBFYZLASA-N 1 1 383.448 4.015 20 5 GIBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000461274336 823610658 /nfs/dbraw/zinc/61/06/58/823610658.db2.gz XFLRZHOBLDQBPO-KRWDZBQOSA-N 1 1 397.475 4.334 20 5 GIBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000461561632 823660006 /nfs/dbraw/zinc/66/00/06/823660006.db2.gz BRZUWBSPENBAIB-UHFFFAOYSA-N 1 1 393.487 4.256 20 5 GIBDMO Cn1ccnc1[C@H]([NH2+]CCCc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000574345494 823705678 /nfs/dbraw/zinc/70/56/78/823705678.db2.gz FJRYSVIAEMXWPN-OAQYLSRUSA-N 1 1 389.459 4.121 20 5 GIBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125777534 823707957 /nfs/dbraw/zinc/70/79/57/823707957.db2.gz WDJXTQZXXOGMLV-MRXNPFEDSA-N 1 1 393.553 4.193 20 5 GIBDMO C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000413216320 823729936 /nfs/dbraw/zinc/72/99/36/823729936.db2.gz RCXJKLOZKWHQTN-BZNIZROVSA-N 1 1 382.798 4.026 20 5 GIBDMO C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000413216320 823729944 /nfs/dbraw/zinc/72/99/44/823729944.db2.gz RCXJKLOZKWHQTN-BZNIZROVSA-N 1 1 382.798 4.026 20 5 GIBDMO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125939409 823749300 /nfs/dbraw/zinc/74/93/00/823749300.db2.gz YGFZOZNNGQWXTH-YJYMSZOUSA-N 1 1 381.457 4.201 20 5 GIBDMO Cc1cc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461940568 823766752 /nfs/dbraw/zinc/76/67/52/823766752.db2.gz KVHXFGSJAFXSPW-ZDUSSCGKSA-N 1 1 394.397 4.449 20 5 GIBDMO Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(-c2ccnn2C)c1 ZINC000574826870 823835861 /nfs/dbraw/zinc/83/58/61/823835861.db2.gz MOOOFZHFTKYJGL-UHFFFAOYSA-N 1 1 376.460 4.468 20 5 GIBDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000126420694 823862210 /nfs/dbraw/zinc/86/22/10/823862210.db2.gz XRIGNAHCWDKUPX-FQEVSTJZSA-N 1 1 382.416 4.029 20 5 GIBDMO COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575002021 823884045 /nfs/dbraw/zinc/88/40/45/823884045.db2.gz VGOTXWSFDQNHFO-AWEZNQCLSA-N 1 1 382.338 4.279 20 5 GIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000192524221 824019645 /nfs/dbraw/zinc/01/96/45/824019645.db2.gz DPUIIWPLWWCUOP-CALCHBBNSA-N 1 1 397.475 4.073 20 5 GIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000192524221 824019654 /nfs/dbraw/zinc/01/96/54/824019654.db2.gz DPUIIWPLWWCUOP-CALCHBBNSA-N 1 1 397.475 4.073 20 5 GIBDMO C[C@H]1C[NH2+]CC[C@H]1NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000414936670 824051812 /nfs/dbraw/zinc/05/18/12/824051812.db2.gz GYMCLZGPHXGKBE-SUMWQHHRSA-N 1 1 375.856 4.128 20 5 GIBDMO