smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000236933100 853939196 /nfs/dbraw/zinc/93/91/96/853939196.db2.gz MXUJADJJVQSCDD-HXUWFJFHSA-N 2 1 413.518 4.004 20 5 HIBDMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000432414838 859154019 /nfs/dbraw/zinc/15/40/19/859154019.db2.gz MNQMXBRJBZMAIM-IRXDYDNUSA-N 2 1 403.548 4.475 20 5 HIBDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000432414838 859154023 /nfs/dbraw/zinc/15/40/23/859154023.db2.gz MNQMXBRJBZMAIM-IRXDYDNUSA-N 2 1 403.548 4.475 20 5 HIBDMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000432800359 859366641 /nfs/dbraw/zinc/36/66/41/859366641.db2.gz MPKHNUNAXFVTDR-NRFANRHFSA-N 2 1 419.529 4.364 20 5 HIBDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000432800359 859366648 /nfs/dbraw/zinc/36/66/48/859366648.db2.gz MPKHNUNAXFVTDR-NRFANRHFSA-N 2 1 419.529 4.364 20 5 HIBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000447530086 871395929 /nfs/dbraw/zinc/39/59/29/871395929.db2.gz NFOFHZIOTGDXRT-NAQMCUANSA-N 2 1 409.534 4.060 20 5 HIBDMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000447535285 871400971 /nfs/dbraw/zinc/40/09/71/871400971.db2.gz DZJZHMRBGQKKNR-PDOICOKGSA-N 2 1 403.552 4.009 20 5 HIBDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000447535285 871400975 /nfs/dbraw/zinc/40/09/75/871400975.db2.gz DZJZHMRBGQKKNR-PDOICOKGSA-N 2 1 403.552 4.009 20 5 HIBDMP Cc1c(NC(=O)CC[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478063817 893224342 /nfs/dbraw/zinc/22/43/42/893224342.db2.gz UHQRRMSETQCHGZ-GOSISDBHSA-N 2 1 416.566 4.208 20 5 HIBDMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482709889 898309965 /nfs/dbraw/zinc/30/99/65/898309965.db2.gz UOFSKMJVGTZUHO-SJORKVTESA-N 2 1 403.548 4.067 20 5 HIBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510976117 919524308 /nfs/dbraw/zinc/52/43/08/919524308.db2.gz FDWBOIDTNOUJJN-PGRDOPGGSA-N 2 1 424.545 4.202 20 5 HIBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510976117 919524327 /nfs/dbraw/zinc/52/43/27/919524327.db2.gz FDWBOIDTNOUJJN-PGRDOPGGSA-N 2 1 424.545 4.202 20 5 HIBDMP COc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000513501734 921851320 /nfs/dbraw/zinc/85/13/20/921851320.db2.gz UYRIFTLNLCIZTA-PKOBYXMFSA-N 2 1 413.518 4.002 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000533347543 931844360 /nfs/dbraw/zinc/84/43/60/931844360.db2.gz MXTQZVIDMLROLZ-FPOVZHCZSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000533347543 931844364 /nfs/dbraw/zinc/84/43/64/931844364.db2.gz MXTQZVIDMLROLZ-FPOVZHCZSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000533347543 931844366 /nfs/dbraw/zinc/84/43/66/931844366.db2.gz MXTQZVIDMLROLZ-FPOVZHCZSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000533347543 931844369 /nfs/dbraw/zinc/84/43/69/931844369.db2.gz MXTQZVIDMLROLZ-FPOVZHCZSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000540466716 939264067 /nfs/dbraw/zinc/26/40/67/939264067.db2.gz GYHNJBAWQIKCGT-INIZCTEOSA-N 2 1 407.474 4.077 20 5 HIBDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887029 942309042 /nfs/dbraw/zinc/30/90/42/942309042.db2.gz APGHQFONPXQMKS-FZKQIMNGSA-N 2 1 422.323 4.389 20 5 HIBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887029 942309049 /nfs/dbraw/zinc/30/90/49/942309049.db2.gz APGHQFONPXQMKS-FZKQIMNGSA-N 2 1 422.323 4.389 20 5 HIBDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887029 942309056 /nfs/dbraw/zinc/30/90/56/942309056.db2.gz APGHQFONPXQMKS-FZKQIMNGSA-N 2 1 422.323 4.389 20 5 HIBDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887029 942309062 /nfs/dbraw/zinc/30/90/62/942309062.db2.gz APGHQFONPXQMKS-FZKQIMNGSA-N 2 1 422.323 4.389 20 5 HIBDMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237733231 854085881 /nfs/dbraw/zinc/08/58/81/854085881.db2.gz CIHNIMGHYFNSFA-UHFFFAOYSA-N 2 1 419.529 4.058 20 5 HIBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)s1 ZINC000237960112 854125476 /nfs/dbraw/zinc/12/54/76/854125476.db2.gz BQXLGOCSAYVHPV-UHFFFAOYSA-N 2 1 423.538 4.445 20 5 HIBDMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000432800360 859366059 /nfs/dbraw/zinc/36/60/59/859366059.db2.gz MPKHNUNAXFVTDR-OAQYLSRUSA-N 2 1 419.529 4.364 20 5 HIBDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000432800360 859366067 /nfs/dbraw/zinc/36/60/67/859366067.db2.gz MPKHNUNAXFVTDR-OAQYLSRUSA-N 2 1 419.529 4.364 20 5 HIBDMP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433237739 859584453 /nfs/dbraw/zinc/58/44/53/859584453.db2.gz ZPPWTFJUTIYZHP-REWPJTCUSA-N 2 1 409.530 4.064 20 5 HIBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H](c4ncc5n4CCCC5)C3)o2)c1 ZINC000503437573 912445881 /nfs/dbraw/zinc/44/58/81/912445881.db2.gz MUDDOQNSFMAXLO-GOSISDBHSA-N 2 1 421.501 4.205 20 5 HIBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481175119 896510081 /nfs/dbraw/zinc/51/00/81/896510081.db2.gz LWLICZOTMVNXMR-PGRDOPGGSA-N 2 1 420.513 4.293 20 5 HIBDMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000513832149 922159294 /nfs/dbraw/zinc/15/92/94/922159294.db2.gz DMZQDDHFKDOPMP-UGKGYDQZSA-N 2 1 415.578 4.319 20 5 HIBDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000518440794 927273205 /nfs/dbraw/zinc/27/32/05/927273205.db2.gz ASONLCRGDRPXMW-CLFYSBASSA-N 2 1 424.545 4.225 20 5 HIBDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000518440794 927273214 /nfs/dbraw/zinc/27/32/14/927273214.db2.gz ASONLCRGDRPXMW-CLFYSBASSA-N 2 1 424.545 4.225 20 5 HIBDMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000531108086 930923242 /nfs/dbraw/zinc/92/32/42/930923242.db2.gz UFIAVAVXPWVZGB-UHFFFAOYSA-N 2 1 403.548 4.302 20 5 HIBDMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000539097785 938802535 /nfs/dbraw/zinc/80/25/35/938802535.db2.gz YZXBJHXSHUHULZ-SFHVURJKSA-N 2 1 404.555 4.002 20 5 HIBDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000539097785 938802536 /nfs/dbraw/zinc/80/25/36/938802536.db2.gz YZXBJHXSHUHULZ-SFHVURJKSA-N 2 1 404.555 4.002 20 5 HIBDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328280 946509251 /nfs/dbraw/zinc/50/92/51/946509251.db2.gz OALMDMDULZAEER-MBSDFSHPSA-N 2 1 419.529 4.220 20 5 HIBDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328280 946509258 /nfs/dbraw/zinc/50/92/58/946509258.db2.gz OALMDMDULZAEER-MBSDFSHPSA-N 2 1 419.529 4.220 20 5 HIBDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328280 946509265 /nfs/dbraw/zinc/50/92/65/946509265.db2.gz OALMDMDULZAEER-MBSDFSHPSA-N 2 1 419.529 4.220 20 5 HIBDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328280 946509269 /nfs/dbraw/zinc/50/92/69/946509269.db2.gz OALMDMDULZAEER-MBSDFSHPSA-N 2 1 419.529 4.220 20 5 HIBDMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236810824 853926006 /nfs/dbraw/zinc/92/60/06/853926006.db2.gz VAYXDKWUDGUHPO-CQSZACIVSA-N 2 1 422.323 4.439 20 5 HIBDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236810824 853926011 /nfs/dbraw/zinc/92/60/11/853926011.db2.gz VAYXDKWUDGUHPO-CQSZACIVSA-N 2 1 422.323 4.439 20 5 HIBDMP Cc1c(NC(=O)CC[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478063821 893224926 /nfs/dbraw/zinc/22/49/26/893224926.db2.gz UHQRRMSETQCHGZ-SFHVURJKSA-N 2 1 416.566 4.208 20 5 HIBDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474782 915074373 /nfs/dbraw/zinc/07/43/73/915074373.db2.gz POWCYSJCGABJFL-RBUKOAKNSA-N 2 1 412.534 4.379 20 5 HIBDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474782 915074392 /nfs/dbraw/zinc/07/43/92/915074392.db2.gz POWCYSJCGABJFL-RBUKOAKNSA-N 2 1 412.534 4.379 20 5 HIBDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474782 915074411 /nfs/dbraw/zinc/07/44/11/915074411.db2.gz POWCYSJCGABJFL-RBUKOAKNSA-N 2 1 412.534 4.379 20 5 HIBDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474782 915074434 /nfs/dbraw/zinc/07/44/34/915074434.db2.gz POWCYSJCGABJFL-RBUKOAKNSA-N 2 1 412.534 4.379 20 5 HIBDMP Cc1cc(N2CCC([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)nc(C)[nH+]1 ZINC000531163955 930949804 /nfs/dbraw/zinc/94/98/04/930949804.db2.gz HPOMJEIBTCSRHK-UHFFFAOYSA-N 2 1 423.542 4.489 20 5 HIBDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000531970509 931270405 /nfs/dbraw/zinc/27/04/05/931270405.db2.gz ZGQXJDKYMRWBOD-INIZCTEOSA-N 2 1 402.564 4.485 20 5 HIBDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000532507014 931466371 /nfs/dbraw/zinc/46/63/71/931466371.db2.gz AOLFTXIKXMJEDG-DLBZAZTESA-N 2 1 403.548 4.211 20 5 HIBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)o2)c1 ZINC000532950080 931708878 /nfs/dbraw/zinc/70/88/78/931708878.db2.gz XUAOKHNVDMWUTK-IBGZPJMESA-N 2 1 412.534 4.380 20 5 HIBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537698555 938358526 /nfs/dbraw/zinc/35/85/26/938358526.db2.gz WXYIZOIBNWQZEU-CDHQVMDDSA-N 2 1 401.532 4.007 20 5 HIBDMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000538210377 938557652 /nfs/dbraw/zinc/55/76/52/938557652.db2.gz HKYMSNRNUUWQRU-HNNXBMFYSA-N 2 1 420.916 4.380 20 5 HIBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540140078 939087898 /nfs/dbraw/zinc/08/78/98/939087898.db2.gz AMCTZOZUFNOKBF-SVFBPWRDSA-N 2 1 424.545 4.202 20 5 HIBDMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000540408013 939237587 /nfs/dbraw/zinc/23/75/87/939237587.db2.gz OCIPDGLNCBVBNA-IRXDYDNUSA-N 2 1 400.498 4.288 20 5 HIBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000540466717 939263764 /nfs/dbraw/zinc/26/37/64/939263764.db2.gz GYHNJBAWQIKCGT-MRXNPFEDSA-N 2 1 407.474 4.077 20 5 HIBDMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236931220 853939597 /nfs/dbraw/zinc/93/95/97/853939597.db2.gz IVTLRSGNTDNUEL-AWEZNQCLSA-N 2 1 422.323 4.439 20 5 HIBDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236931220 853939601 /nfs/dbraw/zinc/93/96/01/853939601.db2.gz IVTLRSGNTDNUEL-AWEZNQCLSA-N 2 1 422.323 4.439 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478036532 893168417 /nfs/dbraw/zinc/16/84/17/893168417.db2.gz LLNTXUMNRMSVDI-LJQANCHMSA-N 2 1 416.566 4.208 20 5 HIBDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)CC2)cs1 ZINC000482870315 898483209 /nfs/dbraw/zinc/48/32/09/898483209.db2.gz OUHBLHPODCKQPU-MRXNPFEDSA-N 2 1 402.564 4.485 20 5 HIBDMP C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048640 910258533 /nfs/dbraw/zinc/25/85/33/910258533.db2.gz RIVCNEIBJYOITJ-UHFFFAOYSA-N 2 1 421.501 4.036 20 5 HIBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000509956224 918549905 /nfs/dbraw/zinc/54/99/05/918549905.db2.gz HFFMJMZRWLSXHG-UHFFFAOYSA-N 2 1 419.279 4.302 20 5 HIBDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178783 920918015 /nfs/dbraw/zinc/91/80/15/920918015.db2.gz KIZPLCBUZXVFIF-OALUTQOASA-N 2 1 411.550 4.082 20 5 HIBDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178783 920918030 /nfs/dbraw/zinc/91/80/30/920918030.db2.gz KIZPLCBUZXVFIF-OALUTQOASA-N 2 1 411.550 4.082 20 5 HIBDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178783 920918045 /nfs/dbraw/zinc/91/80/45/920918045.db2.gz KIZPLCBUZXVFIF-OALUTQOASA-N 2 1 411.550 4.082 20 5 HIBDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178783 920918064 /nfs/dbraw/zinc/91/80/64/920918064.db2.gz KIZPLCBUZXVFIF-OALUTQOASA-N 2 1 411.550 4.082 20 5 HIBDMP O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000524637715 929747759 /nfs/dbraw/zinc/74/77/59/929747759.db2.gz QETMOAAAXJHMEE-HSZRJFAPSA-N 2 1 423.538 4.050 20 5 HIBDMP O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000524637715 929747772 /nfs/dbraw/zinc/74/77/72/929747772.db2.gz QETMOAAAXJHMEE-HSZRJFAPSA-N 2 1 423.538 4.050 20 5 HIBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000524637715 929747781 /nfs/dbraw/zinc/74/77/81/929747781.db2.gz QETMOAAAXJHMEE-HSZRJFAPSA-N 2 1 423.538 4.050 20 5 HIBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000524637715 929747791 /nfs/dbraw/zinc/74/77/91/929747791.db2.gz QETMOAAAXJHMEE-HSZRJFAPSA-N 2 1 423.538 4.050 20 5 HIBDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000531970510 931270468 /nfs/dbraw/zinc/27/04/68/931270468.db2.gz ZGQXJDKYMRWBOD-MRXNPFEDSA-N 2 1 402.564 4.485 20 5 HIBDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000540408010 939237770 /nfs/dbraw/zinc/23/77/70/939237770.db2.gz OCIPDGLNCBVBNA-DLBZAZTESA-N 2 1 400.498 4.288 20 5 HIBDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000061070236 851287385 /nfs/dbraw/zinc/28/73/85/851287385.db2.gz AZVPJCLRTRTQAT-UHFFFAOYSA-N 2 1 410.562 4.146 20 5 HIBDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236836595 853927818 /nfs/dbraw/zinc/92/78/18/853927818.db2.gz RIOBHHMORHBROU-IBGZPJMESA-N 2 1 419.529 4.269 20 5 HIBDMP COCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000237124833 853967785 /nfs/dbraw/zinc/96/77/85/853967785.db2.gz JESLEZCCAJETRF-UHFFFAOYSA-N 2 1 419.909 4.241 20 5 HIBDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000433168084 859550644 /nfs/dbraw/zinc/55/06/44/859550644.db2.gz LHHPJPXRXQJSJH-SBUREZEXSA-N 2 1 409.530 4.328 20 5 HIBDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000433168084 859550649 /nfs/dbraw/zinc/55/06/49/859550649.db2.gz LHHPJPXRXQJSJH-SBUREZEXSA-N 2 1 409.530 4.328 20 5 HIBDMP COc1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000464100460 877256337 /nfs/dbraw/zinc/25/63/37/877256337.db2.gz ULMQVAOTGUFNCL-UHFFFAOYSA-N 2 1 401.482 4.087 20 5 HIBDMP COc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000464100460 877256352 /nfs/dbraw/zinc/25/63/52/877256352.db2.gz ULMQVAOTGUFNCL-UHFFFAOYSA-N 2 1 401.482 4.087 20 5 HIBDMP C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464830922 878086711 /nfs/dbraw/zinc/08/67/11/878086711.db2.gz BPWUICSTXCSPHR-FQEVSTJZSA-N 2 1 420.513 4.246 20 5 HIBDMP C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464830922 878086737 /nfs/dbraw/zinc/08/67/37/878086737.db2.gz BPWUICSTXCSPHR-FQEVSTJZSA-N 2 1 420.513 4.246 20 5 HIBDMP C[NH+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464830922 878086758 /nfs/dbraw/zinc/08/67/58/878086758.db2.gz BPWUICSTXCSPHR-FQEVSTJZSA-N 2 1 420.513 4.246 20 5 HIBDMP C[NH+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464830922 878086765 /nfs/dbraw/zinc/08/67/65/878086765.db2.gz BPWUICSTXCSPHR-FQEVSTJZSA-N 2 1 420.513 4.246 20 5 HIBDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000476984855 891909931 /nfs/dbraw/zinc/90/99/31/891909931.db2.gz NCSHXYKMZJWWRF-QGZVFWFLSA-N 2 1 413.522 4.121 20 5 HIBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000476984855 891909954 /nfs/dbraw/zinc/90/99/54/891909954.db2.gz NCSHXYKMZJWWRF-QGZVFWFLSA-N 2 1 413.522 4.121 20 5 HIBDMP CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000504911112 913644592 /nfs/dbraw/zinc/64/45/92/913644592.db2.gz AOZIVSWWPUMHAW-MSOLQXFVSA-N 2 1 413.518 4.065 20 5 HIBDMP CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000504911112 913644595 /nfs/dbraw/zinc/64/45/95/913644595.db2.gz AOZIVSWWPUMHAW-MSOLQXFVSA-N 2 1 413.518 4.065 20 5 HIBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000514247330 922587594 /nfs/dbraw/zinc/58/75/94/922587594.db2.gz YODSBHOGXBYSOD-LJQANCHMSA-N 2 1 423.538 4.180 20 5 HIBDMP Cc1c(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484314 931881161 /nfs/dbraw/zinc/88/11/61/931881161.db2.gz HBPIGMGQFQRBPJ-GHTZIAJQSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1c(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484314 931881165 /nfs/dbraw/zinc/88/11/65/931881165.db2.gz HBPIGMGQFQRBPJ-GHTZIAJQSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484314 931881167 /nfs/dbraw/zinc/88/11/67/931881167.db2.gz HBPIGMGQFQRBPJ-GHTZIAJQSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484314 931881170 /nfs/dbraw/zinc/88/11/70/931881170.db2.gz HBPIGMGQFQRBPJ-GHTZIAJQSA-N 2 1 424.545 4.217 20 5 HIBDMP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000537323668 933716134 /nfs/dbraw/zinc/71/61/34/933716134.db2.gz LHABWKOOTVYQMD-AVRDEDQJSA-N 2 1 419.529 4.138 20 5 HIBDMP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000537323668 933716139 /nfs/dbraw/zinc/71/61/39/933716139.db2.gz LHABWKOOTVYQMD-AVRDEDQJSA-N 2 1 419.529 4.138 20 5 HIBDMP CC[NH+](CC)CCOC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000537658114 938348280 /nfs/dbraw/zinc/34/82/80/938348280.db2.gz AMJCHZANBAKMJR-UHFFFAOYSA-N 2 1 418.563 4.041 20 5 HIBDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1[N+](=O)[O-] ZINC000551263045 941438726 /nfs/dbraw/zinc/43/87/26/941438726.db2.gz LDEUYFHGFZAXMW-NFBKMPQASA-N 2 1 423.557 4.483 20 5 HIBDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1[N+](=O)[O-] ZINC000551263047 941438791 /nfs/dbraw/zinc/43/87/91/941438791.db2.gz LDEUYFHGFZAXMW-NZQKXSOJSA-N 2 1 423.557 4.483 20 5 HIBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000564428868 945578836 /nfs/dbraw/zinc/57/88/36/945578836.db2.gz YVMSRQZFKSZCGR-BHDDXSALSA-N 2 1 411.550 4.167 20 5 HIBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000564428871 945578898 /nfs/dbraw/zinc/57/88/98/945578898.db2.gz YVMSRQZFKSZCGR-YPAWHYETSA-N 2 1 411.550 4.167 20 5 HIBDMP Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302878378 854665235 /nfs/dbraw/zinc/66/52/35/854665235.db2.gz HCIYCLKTJOGWDQ-FQEVSTJZSA-N 2 1 406.486 4.020 20 5 HIBDMP CCCC[N@@H+](C)CC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000303521234 855008545 /nfs/dbraw/zinc/00/85/45/855008545.db2.gz DDFJJUHFHKKAEH-UHFFFAOYSA-N 2 1 400.523 4.236 20 5 HIBDMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000447535513 871400868 /nfs/dbraw/zinc/40/08/68/871400868.db2.gz GQXONLWANIEGKI-NXMSCROESA-N 2 1 409.530 4.371 20 5 HIBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000504896194 913627897 /nfs/dbraw/zinc/62/78/97/913627897.db2.gz XFSAICONAUGLHW-HXUWFJFHSA-N 2 1 415.559 4.088 20 5 HIBDMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482709887 898309621 /nfs/dbraw/zinc/30/96/21/898309621.db2.gz UOFSKMJVGTZUHO-IRXDYDNUSA-N 2 1 403.548 4.067 20 5 HIBDMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000531347150 931025539 /nfs/dbraw/zinc/02/55/39/931025539.db2.gz FSHSJDMFIKWDQC-UHFFFAOYSA-N 2 1 403.548 4.302 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882160 941378491 /nfs/dbraw/zinc/37/84/91/941378491.db2.gz IZVULVANSXMVAC-IRLDBZIGSA-N 2 1 423.557 4.483 20 5 HIBDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328278 946510131 /nfs/dbraw/zinc/51/01/31/946510131.db2.gz OALMDMDULZAEER-FDDCHVKYSA-N 2 1 419.529 4.220 20 5 HIBDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328278 946510141 /nfs/dbraw/zinc/51/01/41/946510141.db2.gz OALMDMDULZAEER-FDDCHVKYSA-N 2 1 419.529 4.220 20 5 HIBDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328278 946510151 /nfs/dbraw/zinc/51/01/51/946510151.db2.gz OALMDMDULZAEER-FDDCHVKYSA-N 2 1 419.529 4.220 20 5 HIBDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328278 946510157 /nfs/dbraw/zinc/51/01/57/946510157.db2.gz OALMDMDULZAEER-FDDCHVKYSA-N 2 1 419.529 4.220 20 5 HIBDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000236933177 853939168 /nfs/dbraw/zinc/93/91/68/853939168.db2.gz AMMXEFVFLPGMHJ-HXUWFJFHSA-N 2 1 413.518 4.004 20 5 HIBDMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000447585185 871492685 /nfs/dbraw/zinc/49/26/85/871492685.db2.gz JEAMNGPNKYYLMK-RYFAJOAYSA-N 2 1 411.550 4.165 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478057375 893212989 /nfs/dbraw/zinc/21/29/89/893212989.db2.gz WPCPODWRLCGKFO-LJQANCHMSA-N 2 1 416.566 4.208 20 5 HIBDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)oc1C ZINC000482889378 898506486 /nfs/dbraw/zinc/50/64/86/898506486.db2.gz LTPOOEQELYHCSV-OAQYLSRUSA-N 2 1 412.534 4.023 20 5 HIBDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000510256210 918789277 /nfs/dbraw/zinc/78/92/77/918789277.db2.gz BJJBNOHQXYFNCY-INIZCTEOSA-N 2 1 401.511 4.150 20 5 HIBDMP CC[N@@H+](CCC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1)CC(C)C ZINC000537995345 938455785 /nfs/dbraw/zinc/45/57/85/938455785.db2.gz NKKPAJDFYVKVPK-UHFFFAOYSA-N 2 1 405.539 4.041 20 5 HIBDMP CC[N@H+](CCC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)CC(C)C ZINC000539099604 938803034 /nfs/dbraw/zinc/80/30/34/938803034.db2.gz JVDUGKKUTVCSCC-UHFFFAOYSA-N 2 1 415.538 4.225 20 5 HIBDMP CC[N@@H+](CCC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)CC(C)C ZINC000539099604 938803035 /nfs/dbraw/zinc/80/30/35/938803035.db2.gz JVDUGKKUTVCSCC-UHFFFAOYSA-N 2 1 415.538 4.225 20 5 HIBDMP O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccc2)c1 ZINC000543777455 940183507 /nfs/dbraw/zinc/18/35/07/940183507.db2.gz WHAZSGJUWVFDLA-RPBOFIJWSA-N 2 1 417.509 4.041 20 5 HIBDMP O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2ccccc2)c1 ZINC000543777455 940183509 /nfs/dbraw/zinc/18/35/09/940183509.db2.gz WHAZSGJUWVFDLA-RPBOFIJWSA-N 2 1 417.509 4.041 20 5 HIBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000564428870 945578072 /nfs/dbraw/zinc/57/80/72/945578072.db2.gz YVMSRQZFKSZCGR-FDFHNCONSA-N 2 1 411.550 4.167 20 5 HIBDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000237178891 853976538 /nfs/dbraw/zinc/97/65/38/853976538.db2.gz ZTPJDFAJTUWWTF-ZDUSSCGKSA-N 2 1 408.296 4.049 20 5 HIBDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000237178891 853976547 /nfs/dbraw/zinc/97/65/47/853976547.db2.gz ZTPJDFAJTUWWTF-ZDUSSCGKSA-N 2 1 408.296 4.049 20 5 HIBDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447546333 871416692 /nfs/dbraw/zinc/41/66/92/871416692.db2.gz VARWLOBRARKCPK-FGZHOGPDSA-N 2 1 423.517 4.290 20 5 HIBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478053974 893207083 /nfs/dbraw/zinc/20/70/83/893207083.db2.gz NWNQVNOGZZVEFC-MJGOQNOKSA-N 2 1 416.566 4.207 20 5 HIBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478053974 893207102 /nfs/dbraw/zinc/20/71/02/893207102.db2.gz NWNQVNOGZZVEFC-MJGOQNOKSA-N 2 1 416.566 4.207 20 5 HIBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537698560 938358419 /nfs/dbraw/zinc/35/84/19/938358419.db2.gz WXYIZOIBNWQZEU-XPGWFJOJSA-N 2 1 401.532 4.007 20 5 HIBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000538796169 938713947 /nfs/dbraw/zinc/71/39/47/938713947.db2.gz SXSRJHTUQAXQAP-HOJAQTOUSA-N 2 1 401.532 4.007 20 5 HIBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000538796171 938714338 /nfs/dbraw/zinc/71/43/38/938714338.db2.gz SXSRJHTUQAXQAP-RLLQIKCJSA-N 2 1 401.532 4.007 20 5 HIBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)s2)cc1 ZINC000543764234 940177596 /nfs/dbraw/zinc/17/75/96/940177596.db2.gz OHOJWKACMJSKTA-OAQYLSRUSA-N 2 1 423.538 4.180 20 5 HIBDMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236933429 853939068 /nfs/dbraw/zinc/93/90/68/853939068.db2.gz IVTLRSGNTDNUEL-CQSZACIVSA-N 2 1 422.323 4.439 20 5 HIBDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236933429 853939078 /nfs/dbraw/zinc/93/90/78/853939078.db2.gz IVTLRSGNTDNUEL-CQSZACIVSA-N 2 1 422.323 4.439 20 5 HIBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)o2)c1 ZINC000434683350 860458165 /nfs/dbraw/zinc/45/81/65/860458165.db2.gz GCHYWVBECYPPJD-UHFFFAOYSA-N 2 1 421.501 4.205 20 5 HIBDMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000466472781 880255330 /nfs/dbraw/zinc/25/53/30/880255330.db2.gz IDMUYWDUHKWLKI-UHFFFAOYSA-N 2 1 402.926 4.070 20 5 HIBDMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482709885 898310509 /nfs/dbraw/zinc/31/05/09/898310509.db2.gz UOFSKMJVGTZUHO-IAGOWNOFSA-N 2 1 403.548 4.067 20 5 HIBDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000518440795 927273800 /nfs/dbraw/zinc/27/38/00/927273800.db2.gz ASONLCRGDRPXMW-VQHVLOKHSA-N 2 1 424.545 4.225 20 5 HIBDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000518440795 927273810 /nfs/dbraw/zinc/27/38/10/927273810.db2.gz ASONLCRGDRPXMW-VQHVLOKHSA-N 2 1 424.545 4.225 20 5 HIBDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000554527548 942163813 /nfs/dbraw/zinc/16/38/13/942163813.db2.gz MLNJSJAKINPXRN-SFHVURJKSA-N 2 1 410.518 4.088 20 5 HIBDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000432414836 859153951 /nfs/dbraw/zinc/15/39/51/859153951.db2.gz MNQMXBRJBZMAIM-DLBZAZTESA-N 2 1 403.548 4.475 20 5 HIBDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000432414836 859153957 /nfs/dbraw/zinc/15/39/57/859153957.db2.gz MNQMXBRJBZMAIM-DLBZAZTESA-N 2 1 403.548 4.475 20 5 HIBDMP COc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c([N+](=O)[O-])cc1F ZINC000464685249 877899630 /nfs/dbraw/zinc/89/96/30/877899630.db2.gz AFDDLDGUEZZHPV-UHFFFAOYSA-N 2 1 413.493 4.231 20 5 HIBDMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c([N+](=O)[O-])cc1F ZINC000464685249 877899634 /nfs/dbraw/zinc/89/96/34/877899634.db2.gz AFDDLDGUEZZHPV-UHFFFAOYSA-N 2 1 413.493 4.231 20 5 HIBDMP CN(c1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000466460575 880240785 /nfs/dbraw/zinc/24/07/85/880240785.db2.gz MVIGQLAUVPLAJA-UHFFFAOYSA-N 2 1 402.926 4.068 20 5 HIBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000504905416 913638127 /nfs/dbraw/zinc/63/81/27/913638127.db2.gz IFVLBVQINFOIGW-QGZVFWFLSA-N 2 1 400.548 4.428 20 5 HIBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000504912364 913646687 /nfs/dbraw/zinc/64/66/87/913646687.db2.gz VEGBNPPEISHVCZ-KRWDZBQOSA-N 2 1 415.563 4.131 20 5 HIBDMP C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000478053437 893203262 /nfs/dbraw/zinc/20/32/62/893203262.db2.gz LLRXOCHGCXVARL-KRWDZBQOSA-N 2 1 413.522 4.121 20 5 HIBDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000478053437 893203286 /nfs/dbraw/zinc/20/32/86/893203286.db2.gz LLRXOCHGCXVARL-KRWDZBQOSA-N 2 1 413.522 4.121 20 5 HIBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000478053437 893203305 /nfs/dbraw/zinc/20/33/05/893203305.db2.gz LLRXOCHGCXVARL-KRWDZBQOSA-N 2 1 413.522 4.121 20 5 HIBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478053969 893206526 /nfs/dbraw/zinc/20/65/26/893206526.db2.gz NWNQVNOGZZVEFC-HKUYNNGSSA-N 2 1 416.566 4.207 20 5 HIBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478053969 893206548 /nfs/dbraw/zinc/20/65/48/893206548.db2.gz NWNQVNOGZZVEFC-HKUYNNGSSA-N 2 1 416.566 4.207 20 5 HIBDMP COc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000513501729 921851100 /nfs/dbraw/zinc/85/11/00/921851100.db2.gz UYRIFTLNLCIZTA-HKUYNNGSSA-N 2 1 413.518 4.002 20 5 HIBDMP Cc1c(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000515756607 923329210 /nfs/dbraw/zinc/32/92/10/923329210.db2.gz OTRPQBGVOBRMOA-HKUYNNGSSA-N 2 1 424.545 4.394 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000532544451 931516923 /nfs/dbraw/zinc/51/69/23/931516923.db2.gz PLYUJTZWVNLJRV-UHFFFAOYSA-N 2 1 424.545 4.076 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000532651283 931569307 /nfs/dbraw/zinc/56/93/07/931569307.db2.gz QDFRNQQJIOYSNW-CTNGQTDRSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000532651283 931569312 /nfs/dbraw/zinc/56/93/12/931569312.db2.gz QDFRNQQJIOYSNW-CTNGQTDRSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000532651283 931569315 /nfs/dbraw/zinc/56/93/15/931569315.db2.gz QDFRNQQJIOYSNW-CTNGQTDRSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000532651283 931569320 /nfs/dbraw/zinc/56/93/20/931569320.db2.gz QDFRNQQJIOYSNW-CTNGQTDRSA-N 2 1 424.545 4.217 20 5 HIBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539894192 938969660 /nfs/dbraw/zinc/96/96/60/938969660.db2.gz GFBLFYXSFPHPLA-YFZFPPMRSA-N 2 1 419.909 4.192 20 5 HIBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539894192 938969664 /nfs/dbraw/zinc/96/96/64/938969664.db2.gz GFBLFYXSFPHPLA-YFZFPPMRSA-N 2 1 419.909 4.192 20 5 HIBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539894187 938969914 /nfs/dbraw/zinc/96/99/14/938969914.db2.gz GFBLFYXSFPHPLA-MMACOIQUSA-N 2 1 419.909 4.192 20 5 HIBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539894187 938969915 /nfs/dbraw/zinc/96/99/15/938969915.db2.gz GFBLFYXSFPHPLA-MMACOIQUSA-N 2 1 419.909 4.192 20 5 HIBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540145334 939090810 /nfs/dbraw/zinc/09/08/10/939090810.db2.gz GUTSCAWPJHXLJQ-DYXWJJEUSA-N 2 1 424.545 4.202 20 5 HIBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000540461990 939261860 /nfs/dbraw/zinc/26/18/60/939261860.db2.gz JXEKCKUHBVJKIL-INIZCTEOSA-N 2 1 407.474 4.077 20 5 HIBDMP CCc1ccc([C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422833 940060179 /nfs/dbraw/zinc/06/01/79/940060179.db2.gz NOWLQDYXOXYJKH-IXFSTUDKSA-N 2 1 415.534 4.319 20 5 HIBDMP CCc1ccc([C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422833 940060180 /nfs/dbraw/zinc/06/01/80/940060180.db2.gz NOWLQDYXOXYJKH-IXFSTUDKSA-N 2 1 415.534 4.319 20 5 HIBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713725 849617613 /nfs/dbraw/zinc/61/76/13/849617613.db2.gz BALWDQPUVBBXPJ-QGZVFWFLSA-N 2 1 413.522 4.294 20 5 HIBDMP CCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000061556328 851403440 /nfs/dbraw/zinc/40/34/40/851403440.db2.gz ODJWBTLQYGRQOO-UHFFFAOYSA-N 2 1 419.529 4.412 20 5 HIBDMP Cc1nc(C[NH+]2CCC(CNc3cc(C)[nH+]c4ccc([N+](=O)[O-])cc34)CC2)oc1C ZINC000302204126 854550100 /nfs/dbraw/zinc/55/01/00/854550100.db2.gz WFTWACPCHRKLCC-UHFFFAOYSA-N 2 1 409.490 4.380 20 5 HIBDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000433168082 859550875 /nfs/dbraw/zinc/55/08/75/859550875.db2.gz LHHPJPXRXQJSJH-HXOBKFHXSA-N 2 1 409.530 4.328 20 5 HIBDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000433168082 859550879 /nfs/dbraw/zinc/55/08/79/859550879.db2.gz LHHPJPXRXQJSJH-HXOBKFHXSA-N 2 1 409.530 4.328 20 5 HIBDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cs1 ZINC000482860923 898472193 /nfs/dbraw/zinc/47/21/93/898472193.db2.gz BPEFXTFJGKSPJJ-MRXNPFEDSA-N 2 1 402.564 4.485 20 5 HIBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000489673753 903536374 /nfs/dbraw/zinc/53/63/74/903536374.db2.gz BIUILYQWLCTUPH-IBGZPJMESA-N 2 1 424.545 4.074 20 5 HIBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000489673753 903536381 /nfs/dbraw/zinc/53/63/81/903536381.db2.gz BIUILYQWLCTUPH-IBGZPJMESA-N 2 1 424.545 4.074 20 5 HIBDMP CCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000512278182 921032528 /nfs/dbraw/zinc/03/25/28/921032528.db2.gz CSHGKRDIWGSLPA-UHFFFAOYSA-N 2 1 401.486 4.022 20 5 HIBDMP CCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512278182 921032540 /nfs/dbraw/zinc/03/25/40/921032540.db2.gz CSHGKRDIWGSLPA-UHFFFAOYSA-N 2 1 401.486 4.022 20 5 HIBDMP Cc1c(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000515756609 923328652 /nfs/dbraw/zinc/32/86/52/923328652.db2.gz OTRPQBGVOBRMOA-MJGOQNOKSA-N 2 1 424.545 4.394 20 5 HIBDMP O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc2)c1 ZINC000543777449 940183336 /nfs/dbraw/zinc/18/33/36/940183336.db2.gz WHAZSGJUWVFDLA-DQEYMECFSA-N 2 1 417.509 4.041 20 5 HIBDMP O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccc2)c1 ZINC000543777449 940183338 /nfs/dbraw/zinc/18/33/38/940183338.db2.gz WHAZSGJUWVFDLA-DQEYMECFSA-N 2 1 417.509 4.041 20 5 HIBDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000554527547 942163646 /nfs/dbraw/zinc/16/36/46/942163646.db2.gz MLNJSJAKINPXRN-GOSISDBHSA-N 2 1 410.518 4.088 20 5 HIBDMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000061016537 851274637 /nfs/dbraw/zinc/27/46/37/851274637.db2.gz IPYUZEYKYSCAPQ-UHFFFAOYSA-N 2 1 413.518 4.146 20 5 HIBDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)CC2)oc1C ZINC000433176384 859555855 /nfs/dbraw/zinc/55/58/55/859555855.db2.gz OQOTXWSMAWWFAR-OAQYLSRUSA-N 2 1 412.534 4.424 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000532651286 931568880 /nfs/dbraw/zinc/56/88/80/931568880.db2.gz QDFRNQQJIOYSNW-TZIWHRDSSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000532651286 931568884 /nfs/dbraw/zinc/56/88/84/931568884.db2.gz QDFRNQQJIOYSNW-TZIWHRDSSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000532651286 931568888 /nfs/dbraw/zinc/56/88/88/931568888.db2.gz QDFRNQQJIOYSNW-TZIWHRDSSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000532651286 931568894 /nfs/dbraw/zinc/56/88/94/931568894.db2.gz QDFRNQQJIOYSNW-TZIWHRDSSA-N 2 1 424.545 4.217 20 5 HIBDMP CC[N@H+](CCC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1)CC(C)C ZINC000537998306 938456683 /nfs/dbraw/zinc/45/66/83/938456683.db2.gz OWYITODRRCARGV-UHFFFAOYSA-N 2 1 415.538 4.225 20 5 HIBDMP CC[N@@H+](CCC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1)CC(C)C ZINC000537998306 938456688 /nfs/dbraw/zinc/45/66/88/938456688.db2.gz OWYITODRRCARGV-UHFFFAOYSA-N 2 1 415.538 4.225 20 5 HIBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539894191 938969817 /nfs/dbraw/zinc/96/98/17/938969817.db2.gz GFBLFYXSFPHPLA-XWRIVVANSA-N 2 1 419.909 4.192 20 5 HIBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539894191 938969824 /nfs/dbraw/zinc/96/98/24/938969824.db2.gz GFBLFYXSFPHPLA-XWRIVVANSA-N 2 1 419.909 4.192 20 5 HIBDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000540408011 939237478 /nfs/dbraw/zinc/23/74/78/939237478.db2.gz OCIPDGLNCBVBNA-IAGOWNOFSA-N 2 1 400.498 4.288 20 5 HIBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000543810635 940194341 /nfs/dbraw/zinc/19/43/41/940194341.db2.gz YWUYCGPHFZMFAF-CYBMUJFWSA-N 2 1 413.865 4.032 20 5 HIBDMP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC000570005230 947068902 /nfs/dbraw/zinc/06/89/02/947068902.db2.gz OMDWKLJOFALFBQ-NGYIFUPDSA-N 2 1 404.514 4.119 20 5 HIBDMP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC000570005228 947069626 /nfs/dbraw/zinc/06/96/26/947069626.db2.gz OMDWKLJOFALFBQ-BPUDTRNYSA-N 2 1 404.514 4.119 20 5 HIBDMP CC(C)[N@H+](C)Cc1nn(-c2ccc3ccc4ccc(Cl)nc4c3n2)c2c1CC[NH2+]C2 ZINC001164681592 719623210 /nfs/dbraw/zinc/62/32/10/719623210.db2.gz INTXLUBMMIYXBD-UHFFFAOYSA-N 2 1 420.948 4.108 20 5 HIBDMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3ccc4ccc(Cl)nc4c3n2)c2c1CC[NH2+]C2 ZINC001164681592 719623219 /nfs/dbraw/zinc/62/32/19/719623219.db2.gz INTXLUBMMIYXBD-UHFFFAOYSA-N 2 1 420.948 4.108 20 5 HIBDMP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000238011238 854133581 /nfs/dbraw/zinc/13/35/81/854133581.db2.gz KLGSLBHQQAOZBP-SFHVURJKSA-N 2 1 417.513 4.021 20 5 HIBDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2)C1 ZINC000430143988 858052159 /nfs/dbraw/zinc/05/21/59/858052159.db2.gz CUBDNDRITFNVGW-LJQANCHMSA-N 2 1 420.307 4.145 20 5 HIBDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2)C1 ZINC000430143988 858052162 /nfs/dbraw/zinc/05/21/62/858052162.db2.gz CUBDNDRITFNVGW-LJQANCHMSA-N 2 1 420.307 4.145 20 5 HIBDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2)C1 ZINC000430143988 858052168 /nfs/dbraw/zinc/05/21/68/858052168.db2.gz CUBDNDRITFNVGW-LJQANCHMSA-N 2 1 420.307 4.145 20 5 HIBDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2)C1 ZINC000430143988 858052171 /nfs/dbraw/zinc/05/21/71/858052171.db2.gz CUBDNDRITFNVGW-LJQANCHMSA-N 2 1 420.307 4.145 20 5 HIBDMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000432414839 859154423 /nfs/dbraw/zinc/15/44/23/859154423.db2.gz MNQMXBRJBZMAIM-SJORKVTESA-N 2 1 403.548 4.475 20 5 HIBDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000432414839 859154426 /nfs/dbraw/zinc/15/44/26/859154426.db2.gz MNQMXBRJBZMAIM-SJORKVTESA-N 2 1 403.548 4.475 20 5 HIBDMP COc1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c([N+](=O)[O-])cc1F ZINC000433175148 859554497 /nfs/dbraw/zinc/55/44/97/859554497.db2.gz NHHWMBNBLUGRAR-UHFFFAOYSA-N 2 1 413.493 4.231 20 5 HIBDMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c([N+](=O)[O-])cc1F ZINC000433175148 859554501 /nfs/dbraw/zinc/55/45/01/859554501.db2.gz NHHWMBNBLUGRAR-UHFFFAOYSA-N 2 1 413.493 4.231 20 5 HIBDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)cs1 ZINC000447534821 871399091 /nfs/dbraw/zinc/39/90/91/871399091.db2.gz AFKFEDVHHCEQLX-OAQYLSRUSA-N 2 1 414.575 4.493 20 5 HIBDMP CCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1[N+](=O)[O-] ZINC000504899469 913630698 /nfs/dbraw/zinc/63/06/98/913630698.db2.gz HHTPKVRELXSKFL-INIZCTEOSA-N 2 1 416.522 4.161 20 5 HIBDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cs1 ZINC000482860921 898472470 /nfs/dbraw/zinc/47/24/70/898472470.db2.gz BPEFXTFJGKSPJJ-INIZCTEOSA-N 2 1 402.564 4.485 20 5 HIBDMP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000508681784 917445833 /nfs/dbraw/zinc/44/58/33/917445833.db2.gz VZZLMASPPLRRNN-MRXNPFEDSA-N 2 1 410.474 4.052 20 5 HIBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000508681784 917445838 /nfs/dbraw/zinc/44/58/38/917445838.db2.gz VZZLMASPPLRRNN-MRXNPFEDSA-N 2 1 410.474 4.052 20 5 HIBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510976114 919525017 /nfs/dbraw/zinc/52/50/17/919525017.db2.gz FDWBOIDTNOUJJN-AVRDEDQJSA-N 2 1 424.545 4.202 20 5 HIBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510976114 919525027 /nfs/dbraw/zinc/52/50/27/919525027.db2.gz FDWBOIDTNOUJJN-AVRDEDQJSA-N 2 1 424.545 4.202 20 5 HIBDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178785 920918922 /nfs/dbraw/zinc/91/89/22/920918922.db2.gz KIZPLCBUZXVFIF-RTBURBONSA-N 2 1 411.550 4.082 20 5 HIBDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178785 920918939 /nfs/dbraw/zinc/91/89/39/920918939.db2.gz KIZPLCBUZXVFIF-RTBURBONSA-N 2 1 411.550 4.082 20 5 HIBDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178785 920918949 /nfs/dbraw/zinc/91/89/49/920918949.db2.gz KIZPLCBUZXVFIF-RTBURBONSA-N 2 1 411.550 4.082 20 5 HIBDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178785 920918958 /nfs/dbraw/zinc/91/89/58/920918958.db2.gz KIZPLCBUZXVFIF-RTBURBONSA-N 2 1 411.550 4.082 20 5 HIBDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000532507016 931466876 /nfs/dbraw/zinc/46/68/76/931466876.db2.gz AOLFTXIKXMJEDG-IRXDYDNUSA-N 2 1 403.548 4.211 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000532651284 931569227 /nfs/dbraw/zinc/56/92/27/931569227.db2.gz QDFRNQQJIOYSNW-FPOVZHCZSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000532651284 931569235 /nfs/dbraw/zinc/56/92/35/931569235.db2.gz QDFRNQQJIOYSNW-FPOVZHCZSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000532651284 931569240 /nfs/dbraw/zinc/56/92/40/931569240.db2.gz QDFRNQQJIOYSNW-FPOVZHCZSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000532651284 931569251 /nfs/dbraw/zinc/56/92/51/931569251.db2.gz QDFRNQQJIOYSNW-FPOVZHCZSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1c(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484324 931881189 /nfs/dbraw/zinc/88/11/89/931881189.db2.gz HBPIGMGQFQRBPJ-WIYYLYMNSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1c(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484324 931881190 /nfs/dbraw/zinc/88/11/90/931881190.db2.gz HBPIGMGQFQRBPJ-WIYYLYMNSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484324 931881191 /nfs/dbraw/zinc/88/11/91/931881191.db2.gz HBPIGMGQFQRBPJ-WIYYLYMNSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484324 931881192 /nfs/dbraw/zinc/88/11/92/931881192.db2.gz HBPIGMGQFQRBPJ-WIYYLYMNSA-N 2 1 424.545 4.217 20 5 HIBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537698558 938358389 /nfs/dbraw/zinc/35/83/89/938358389.db2.gz WXYIZOIBNWQZEU-UIAACRFSSA-N 2 1 401.532 4.007 20 5 HIBDMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1)CC1CC1 ZINC000538948587 938745679 /nfs/dbraw/zinc/74/56/79/938745679.db2.gz MMBKMMMDACBHDN-GOSISDBHSA-N 2 1 416.566 4.064 20 5 HIBDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1)CC1CC1 ZINC000538948587 938745684 /nfs/dbraw/zinc/74/56/84/938745684.db2.gz MMBKMMMDACBHDN-GOSISDBHSA-N 2 1 416.566 4.064 20 5 HIBDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1C ZINC000563483761 945201019 /nfs/dbraw/zinc/20/10/19/945201019.db2.gz UBGUFFCJOPZHLO-UHFFFAOYSA-N 2 1 412.534 4.020 20 5 HIBDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1C ZINC000563483761 945201030 /nfs/dbraw/zinc/20/10/30/945201030.db2.gz UBGUFFCJOPZHLO-UHFFFAOYSA-N 2 1 412.534 4.020 20 5 HIBDMP O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc2)c1 ZINC000543777452 940183606 /nfs/dbraw/zinc/18/36/06/940183606.db2.gz WHAZSGJUWVFDLA-LOSJGSFVSA-N 2 1 417.509 4.041 20 5 HIBDMP O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccc2)c1 ZINC000543777452 940183611 /nfs/dbraw/zinc/18/36/11/940183611.db2.gz WHAZSGJUWVFDLA-LOSJGSFVSA-N 2 1 417.509 4.041 20 5 HIBDMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000236941173 853940402 /nfs/dbraw/zinc/94/04/02/853940402.db2.gz AJVTUEVDOOMDFK-UHFFFAOYSA-N 2 1 420.941 4.016 20 5 HIBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481175116 896508918 /nfs/dbraw/zinc/50/89/18/896508918.db2.gz LWLICZOTMVNXMR-GCJKJVERSA-N 2 1 420.513 4.293 20 5 HIBDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)CC2)cs1 ZINC000482870313 898482948 /nfs/dbraw/zinc/48/29/48/898482948.db2.gz OUHBLHPODCKQPU-INIZCTEOSA-N 2 1 402.564 4.485 20 5 HIBDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178782 920918546 /nfs/dbraw/zinc/91/85/46/920918546.db2.gz KIZPLCBUZXVFIF-MOPGFXCFSA-N 2 1 411.550 4.082 20 5 HIBDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178782 920918560 /nfs/dbraw/zinc/91/85/60/920918560.db2.gz KIZPLCBUZXVFIF-MOPGFXCFSA-N 2 1 411.550 4.082 20 5 HIBDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178782 920918572 /nfs/dbraw/zinc/91/85/72/920918572.db2.gz KIZPLCBUZXVFIF-MOPGFXCFSA-N 2 1 411.550 4.082 20 5 HIBDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178782 920918596 /nfs/dbraw/zinc/91/85/96/920918596.db2.gz KIZPLCBUZXVFIF-MOPGFXCFSA-N 2 1 411.550 4.082 20 5 HIBDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000532507015 931466692 /nfs/dbraw/zinc/46/66/92/931466692.db2.gz AOLFTXIKXMJEDG-IAGOWNOFSA-N 2 1 403.548 4.211 20 5 HIBDMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1)CC1CC1 ZINC000538948591 938745595 /nfs/dbraw/zinc/74/55/95/938745595.db2.gz MMBKMMMDACBHDN-SFHVURJKSA-N 2 1 416.566 4.064 20 5 HIBDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1)CC1CC1 ZINC000538948591 938745597 /nfs/dbraw/zinc/74/55/97/938745597.db2.gz MMBKMMMDACBHDN-SFHVURJKSA-N 2 1 416.566 4.064 20 5 HIBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000540461991 939262055 /nfs/dbraw/zinc/26/20/55/939262055.db2.gz JXEKCKUHBVJKIL-MRXNPFEDSA-N 2 1 407.474 4.077 20 5 HIBDMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000540982700 939424783 /nfs/dbraw/zinc/42/47/83/939424783.db2.gz FIJIBQWUZGTZPC-ZDUSSCGKSA-N 2 1 408.296 4.001 20 5 HIBDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000540982700 939424785 /nfs/dbraw/zinc/42/47/85/939424785.db2.gz FIJIBQWUZGTZPC-ZDUSSCGKSA-N 2 1 408.296 4.001 20 5 HIBDMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000542945937 939883607 /nfs/dbraw/zinc/88/36/07/939883607.db2.gz ZVAGRIQMFROFSM-GOSISDBHSA-N 2 1 404.555 4.064 20 5 HIBDMP CCc1ccc([C@H]([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422831 940060390 /nfs/dbraw/zinc/06/03/90/940060390.db2.gz NOWLQDYXOXYJKH-IUKKYPGJSA-N 2 1 415.534 4.319 20 5 HIBDMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000548908937 941128827 /nfs/dbraw/zinc/12/88/27/941128827.db2.gz FVAVNNQMIZMBNS-HXUWFJFHSA-N 2 1 413.518 4.002 20 5 HIBDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887028 942308594 /nfs/dbraw/zinc/30/85/94/942308594.db2.gz APGHQFONPXQMKS-ACJLOTCBSA-N 2 1 422.323 4.389 20 5 HIBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887028 942308603 /nfs/dbraw/zinc/30/86/03/942308603.db2.gz APGHQFONPXQMKS-ACJLOTCBSA-N 2 1 422.323 4.389 20 5 HIBDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887028 942308609 /nfs/dbraw/zinc/30/86/09/942308609.db2.gz APGHQFONPXQMKS-ACJLOTCBSA-N 2 1 422.323 4.389 20 5 HIBDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887028 942308615 /nfs/dbraw/zinc/30/86/15/942308615.db2.gz APGHQFONPXQMKS-ACJLOTCBSA-N 2 1 422.323 4.389 20 5 HIBDMP CC1CC[NH+](C2CCC([NH2+][C@@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000556887506 942951832 /nfs/dbraw/zinc/95/18/32/942951832.db2.gz YNPXXPMGRLFJNP-QETWGEEDSA-N 2 1 411.550 4.050 20 5 HIBDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328279 946509615 /nfs/dbraw/zinc/50/96/15/946509615.db2.gz OALMDMDULZAEER-JPYJTQIMSA-N 2 1 419.529 4.220 20 5 HIBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328279 946509621 /nfs/dbraw/zinc/50/96/21/946509621.db2.gz OALMDMDULZAEER-JPYJTQIMSA-N 2 1 419.529 4.220 20 5 HIBDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328279 946509627 /nfs/dbraw/zinc/50/96/27/946509627.db2.gz OALMDMDULZAEER-JPYJTQIMSA-N 2 1 419.529 4.220 20 5 HIBDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328279 946509638 /nfs/dbraw/zinc/50/96/38/946509638.db2.gz OALMDMDULZAEER-JPYJTQIMSA-N 2 1 419.529 4.220 20 5 HIBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)o2)c(Br)c1 ZINC000236569254 853899402 /nfs/dbraw/zinc/89/94/02/853899402.db2.gz LJVPTTXDEUADKN-CYBMUJFWSA-N 2 1 420.307 4.191 20 5 HIBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)o2)c(Br)c1 ZINC000236569254 853899407 /nfs/dbraw/zinc/89/94/07/853899407.db2.gz LJVPTTXDEUADKN-CYBMUJFWSA-N 2 1 420.307 4.191 20 5 HIBDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236836885 853927766 /nfs/dbraw/zinc/92/77/66/853927766.db2.gz RIOBHHMORHBROU-LJQANCHMSA-N 2 1 419.529 4.269 20 5 HIBDMP O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000237937276 854121758 /nfs/dbraw/zinc/12/17/58/854121758.db2.gz ITGAFCZKSIRQRO-UHFFFAOYSA-N 2 1 416.525 4.207 20 5 HIBDMP Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302878379 854665455 /nfs/dbraw/zinc/66/54/55/854665455.db2.gz HCIYCLKTJOGWDQ-HXUWFJFHSA-N 2 1 406.486 4.020 20 5 HIBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463275527 876333118 /nfs/dbraw/zinc/33/31/18/876333118.db2.gz VVAWFVZDQSBFCL-UHFFFAOYSA-N 2 1 405.901 4.227 20 5 HIBDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000476986039 891912376 /nfs/dbraw/zinc/91/23/76/891912376.db2.gz QMJFUZZICMFCAX-KRWDZBQOSA-N 2 1 413.522 4.121 20 5 HIBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000476986039 891912395 /nfs/dbraw/zinc/91/23/95/891912395.db2.gz QMJFUZZICMFCAX-KRWDZBQOSA-N 2 1 413.522 4.121 20 5 HIBDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000476986040 891912621 /nfs/dbraw/zinc/91/26/21/891912621.db2.gz QMJFUZZICMFCAX-QGZVFWFLSA-N 2 1 413.522 4.121 20 5 HIBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000476986040 891912632 /nfs/dbraw/zinc/91/26/32/891912632.db2.gz QMJFUZZICMFCAX-QGZVFWFLSA-N 2 1 413.522 4.121 20 5 HIBDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474781 915073649 /nfs/dbraw/zinc/07/36/49/915073649.db2.gz POWCYSJCGABJFL-OALUTQOASA-N 2 1 412.534 4.379 20 5 HIBDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474781 915073667 /nfs/dbraw/zinc/07/36/67/915073667.db2.gz POWCYSJCGABJFL-OALUTQOASA-N 2 1 412.534 4.379 20 5 HIBDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474781 915073686 /nfs/dbraw/zinc/07/36/86/915073686.db2.gz POWCYSJCGABJFL-OALUTQOASA-N 2 1 412.534 4.379 20 5 HIBDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474781 915073707 /nfs/dbraw/zinc/07/37/07/915073707.db2.gz POWCYSJCGABJFL-OALUTQOASA-N 2 1 412.534 4.379 20 5 HIBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510976116 919525982 /nfs/dbraw/zinc/52/59/82/919525982.db2.gz FDWBOIDTNOUJJN-GCJKJVERSA-N 2 1 424.545 4.202 20 5 HIBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510976116 919526010 /nfs/dbraw/zinc/52/60/10/919526010.db2.gz FDWBOIDTNOUJJN-GCJKJVERSA-N 2 1 424.545 4.202 20 5 HIBDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178784 920917431 /nfs/dbraw/zinc/91/74/31/920917431.db2.gz KIZPLCBUZXVFIF-RBUKOAKNSA-N 2 1 411.550 4.082 20 5 HIBDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178784 920917445 /nfs/dbraw/zinc/91/74/45/920917445.db2.gz KIZPLCBUZXVFIF-RBUKOAKNSA-N 2 1 411.550 4.082 20 5 HIBDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178784 920917483 /nfs/dbraw/zinc/91/74/83/920917483.db2.gz KIZPLCBUZXVFIF-RBUKOAKNSA-N 2 1 411.550 4.082 20 5 HIBDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178784 920917495 /nfs/dbraw/zinc/91/74/95/920917495.db2.gz KIZPLCBUZXVFIF-RBUKOAKNSA-N 2 1 411.550 4.082 20 5 HIBDMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000539097783 938802459 /nfs/dbraw/zinc/80/24/59/938802459.db2.gz YZXBJHXSHUHULZ-GOSISDBHSA-N 2 1 404.555 4.002 20 5 HIBDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000539097783 938802461 /nfs/dbraw/zinc/80/24/61/938802461.db2.gz YZXBJHXSHUHULZ-GOSISDBHSA-N 2 1 404.555 4.002 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882159 941378804 /nfs/dbraw/zinc/37/88/04/941378804.db2.gz IZVULVANSXMVAC-IFMALSPDSA-N 2 1 423.557 4.483 20 5 HIBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713724 849617407 /nfs/dbraw/zinc/61/74/07/849617407.db2.gz BALWDQPUVBBXPJ-KRWDZBQOSA-N 2 1 413.522 4.294 20 5 HIBDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236659678 853908192 /nfs/dbraw/zinc/90/81/92/853908192.db2.gz GXNOVYJDEKLPGU-UHFFFAOYSA-N 2 1 407.518 4.125 20 5 HIBDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236816964 853926899 /nfs/dbraw/zinc/92/68/99/853926899.db2.gz ITIRUWOSARGFLP-IBGZPJMESA-N 2 1 419.529 4.269 20 5 HIBDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000237185477 853977294 /nfs/dbraw/zinc/97/72/94/853977294.db2.gz ZTPJDFAJTUWWTF-CYBMUJFWSA-N 2 1 408.296 4.049 20 5 HIBDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000237185477 853977301 /nfs/dbraw/zinc/97/73/01/853977301.db2.gz ZTPJDFAJTUWWTF-CYBMUJFWSA-N 2 1 408.296 4.049 20 5 HIBDMP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)nc2c1 ZINC000433133304 859533256 /nfs/dbraw/zinc/53/32/56/859533256.db2.gz YXGKPWXULOSXFB-UHFFFAOYSA-N 2 1 406.486 4.224 20 5 HIBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000470180539 884466583 /nfs/dbraw/zinc/46/65/83/884466583.db2.gz OPYDEKCBIACNHA-JZJYNLBNSA-N 2 1 414.594 4.126 20 5 HIBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000470180539 884466600 /nfs/dbraw/zinc/46/66/00/884466600.db2.gz OPYDEKCBIACNHA-JZJYNLBNSA-N 3 1 414.594 4.126 20 5 HIBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000470180539 884466614 /nfs/dbraw/zinc/46/66/14/884466614.db2.gz OPYDEKCBIACNHA-JZJYNLBNSA-N 3 1 414.594 4.126 20 5 HIBDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000497295095 906829082 /nfs/dbraw/zinc/82/90/82/906829082.db2.gz QJKVOQBCTHLEPE-SFHVURJKSA-N 2 1 410.518 4.088 20 5 HIBDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000497295094 906829614 /nfs/dbraw/zinc/82/96/14/906829614.db2.gz QJKVOQBCTHLEPE-GOSISDBHSA-N 2 1 410.518 4.088 20 5 HIBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000509943389 918539781 /nfs/dbraw/zinc/53/97/81/918539781.db2.gz LGYLBOCGLMWHRO-UHFFFAOYSA-N 2 1 416.485 4.132 20 5 HIBDMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000537323673 933716773 /nfs/dbraw/zinc/71/67/73/933716773.db2.gz LHABWKOOTVYQMD-GCJKJVERSA-N 2 1 419.529 4.138 20 5 HIBDMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000537323673 933716776 /nfs/dbraw/zinc/71/67/76/933716776.db2.gz LHABWKOOTVYQMD-GCJKJVERSA-N 2 1 419.529 4.138 20 5 HIBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537698561 938358665 /nfs/dbraw/zinc/35/86/65/938358665.db2.gz WXYIZOIBNWQZEU-YSGRDPCXSA-N 2 1 401.532 4.007 20 5 HIBDMP COc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c([N+](=O)[O-])cc1OC ZINC000539824164 938946106 /nfs/dbraw/zinc/94/61/06/938946106.db2.gz AMXMBPRKHVSKBJ-KRWDZBQOSA-N 2 1 405.539 4.089 20 5 HIBDMP COc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c([N+](=O)[O-])cc1OC ZINC000539824164 938946112 /nfs/dbraw/zinc/94/61/12/938946112.db2.gz AMXMBPRKHVSKBJ-KRWDZBQOSA-N 2 1 405.539 4.089 20 5 HIBDMP CC[N@H+](CCC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1)CC(C)C ZINC000540195905 939120896 /nfs/dbraw/zinc/12/08/96/939120896.db2.gz MYMPRIZGINIMTC-UHFFFAOYSA-N 2 1 415.538 4.225 20 5 HIBDMP CC[N@@H+](CCC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1)CC(C)C ZINC000540195905 939120908 /nfs/dbraw/zinc/12/09/08/939120908.db2.gz MYMPRIZGINIMTC-UHFFFAOYSA-N 2 1 415.538 4.225 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548931855 941130266 /nfs/dbraw/zinc/13/02/66/941130266.db2.gz FCSDQSBKGMEJOU-JOCHJYFZSA-N 2 1 424.545 4.122 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548931855 941130267 /nfs/dbraw/zinc/13/02/67/941130267.db2.gz FCSDQSBKGMEJOU-JOCHJYFZSA-N 2 1 424.545 4.122 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549165758 941167761 /nfs/dbraw/zinc/16/77/61/941167761.db2.gz NPTIZUPWXXRBTB-JOCHJYFZSA-N 2 1 424.545 4.122 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549165758 941167762 /nfs/dbraw/zinc/16/77/62/941167762.db2.gz NPTIZUPWXXRBTB-JOCHJYFZSA-N 2 1 424.545 4.122 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882162 941378619 /nfs/dbraw/zinc/37/86/19/941378619.db2.gz IZVULVANSXMVAC-UNMCSNQZSA-N 2 1 423.557 4.483 20 5 HIBDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000236930688 853939293 /nfs/dbraw/zinc/93/92/93/853939293.db2.gz MXUJADJJVQSCDD-FQEVSTJZSA-N 2 1 413.518 4.004 20 5 HIBDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237456567 854036886 /nfs/dbraw/zinc/03/68/86/854036886.db2.gz NAJDZOXMYJHODT-GOSISDBHSA-N 2 1 419.529 4.311 20 5 HIBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000447530089 871395266 /nfs/dbraw/zinc/39/52/66/871395266.db2.gz NFOFHZIOTGDXRT-RFQIGKHKSA-N 2 1 409.534 4.060 20 5 HIBDMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000447535287 871399604 /nfs/dbraw/zinc/39/96/04/871399604.db2.gz DZJZHMRBGQKKNR-WOCWXWTJSA-N 2 1 403.552 4.009 20 5 HIBDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000447535287 871399626 /nfs/dbraw/zinc/39/96/26/871399626.db2.gz DZJZHMRBGQKKNR-WOCWXWTJSA-N 2 1 403.552 4.009 20 5 HIBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000504893493 913622083 /nfs/dbraw/zinc/62/20/83/913622083.db2.gz GBYQLTKXVKUUJV-HXUWFJFHSA-N 2 1 415.559 4.088 20 5 HIBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540140076 939087729 /nfs/dbraw/zinc/08/77/29/939087729.db2.gz AMCTZOZUFNOKBF-SBHAEUEKSA-N 2 1 424.545 4.202 20 5 HIBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000541952538 939660644 /nfs/dbraw/zinc/66/06/44/939660644.db2.gz QHEYNBHXDMAZJQ-HOTGVXAUSA-N 2 1 407.474 4.075 20 5 HIBDMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000548908936 941128749 /nfs/dbraw/zinc/12/87/49/941128749.db2.gz FVAVNNQMIZMBNS-FQEVSTJZSA-N 2 1 413.518 4.002 20 5 HIBDMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000554606477 942174817 /nfs/dbraw/zinc/17/48/17/942174817.db2.gz QHFONIDRBFTREB-HXUWFJFHSA-N 2 1 413.518 4.002 20 5 HIBDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328281 946509925 /nfs/dbraw/zinc/50/99/25/946509925.db2.gz OALMDMDULZAEER-WZONZLPQSA-N 2 1 419.529 4.220 20 5 HIBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328281 946509937 /nfs/dbraw/zinc/50/99/37/946509937.db2.gz OALMDMDULZAEER-WZONZLPQSA-N 2 1 419.529 4.220 20 5 HIBDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328281 946509945 /nfs/dbraw/zinc/50/99/45/946509945.db2.gz OALMDMDULZAEER-WZONZLPQSA-N 2 1 419.529 4.220 20 5 HIBDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328281 946509955 /nfs/dbraw/zinc/50/99/55/946509955.db2.gz OALMDMDULZAEER-WZONZLPQSA-N 2 1 419.529 4.220 20 5 HIBDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H](C)O1 ZINC000237609735 854061214 /nfs/dbraw/zinc/06/12/14/854061214.db2.gz YSINUAGIDNLNGV-CALCHBBNSA-N 2 1 403.548 4.302 20 5 HIBDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2)C1 ZINC000430143987 858051884 /nfs/dbraw/zinc/05/18/84/858051884.db2.gz CUBDNDRITFNVGW-IBGZPJMESA-N 2 1 420.307 4.145 20 5 HIBDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2)C1 ZINC000430143987 858051890 /nfs/dbraw/zinc/05/18/90/858051890.db2.gz CUBDNDRITFNVGW-IBGZPJMESA-N 2 1 420.307 4.145 20 5 HIBDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2)C1 ZINC000430143987 858051900 /nfs/dbraw/zinc/05/19/00/858051900.db2.gz CUBDNDRITFNVGW-IBGZPJMESA-N 2 1 420.307 4.145 20 5 HIBDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2)C1 ZINC000430143987 858051910 /nfs/dbraw/zinc/05/19/10/858051910.db2.gz CUBDNDRITFNVGW-IBGZPJMESA-N 2 1 420.307 4.145 20 5 HIBDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447546332 871415217 /nfs/dbraw/zinc/41/52/17/871415217.db2.gz VARWLOBRARKCPK-FCHUYYIVSA-N 2 1 423.517 4.290 20 5 HIBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H](c4ncc5n4CCCC5)C3)o2)c1 ZINC000503437576 912445338 /nfs/dbraw/zinc/44/53/38/912445338.db2.gz MUDDOQNSFMAXLO-SFHVURJKSA-N 2 1 421.501 4.205 20 5 HIBDMP CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1[N+](=O)[O-] ZINC000504899470 913630853 /nfs/dbraw/zinc/63/08/53/913630853.db2.gz HHTPKVRELXSKFL-MRXNPFEDSA-N 2 1 416.522 4.161 20 5 HIBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510944918 919474720 /nfs/dbraw/zinc/47/47/20/919474720.db2.gz ATKBAIPLTLZOAD-AVRDEDQJSA-N 2 1 424.545 4.202 20 5 HIBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510944918 919474762 /nfs/dbraw/zinc/47/47/62/919474762.db2.gz ATKBAIPLTLZOAD-AVRDEDQJSA-N 2 1 424.545 4.202 20 5 HIBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510944921 919476023 /nfs/dbraw/zinc/47/60/23/919476023.db2.gz ATKBAIPLTLZOAD-XMSQKQJNSA-N 2 1 424.545 4.202 20 5 HIBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510944921 919476028 /nfs/dbraw/zinc/47/60/28/919476028.db2.gz ATKBAIPLTLZOAD-XMSQKQJNSA-N 2 1 424.545 4.202 20 5 HIBDMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000532486662 931457477 /nfs/dbraw/zinc/45/74/77/931457477.db2.gz JIZBRZGNAWIMHV-QHCPKHFHSA-N 2 1 424.545 4.247 20 5 HIBDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)CC1 ZINC000532511847 931468578 /nfs/dbraw/zinc/46/85/78/931468578.db2.gz VIYKLIRHTIRSIO-LJQANCHMSA-N 2 1 412.534 4.236 20 5 HIBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000538796170 938714019 /nfs/dbraw/zinc/71/40/19/938714019.db2.gz SXSRJHTUQAXQAP-MISYRCLQSA-N 2 1 401.532 4.007 20 5 HIBDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000433168080 859550193 /nfs/dbraw/zinc/55/01/93/859550193.db2.gz LHHPJPXRXQJSJH-GAJHUEQPSA-N 2 1 409.530 4.328 20 5 HIBDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000433168080 859550203 /nfs/dbraw/zinc/55/02/03/859550203.db2.gz LHHPJPXRXQJSJH-GAJHUEQPSA-N 2 1 409.530 4.328 20 5 HIBDMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433237737 859584594 /nfs/dbraw/zinc/58/45/94/859584594.db2.gz ZPPWTFJUTIYZHP-NZQKXSOJSA-N 2 1 409.530 4.064 20 5 HIBDMP CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000504911114 913645164 /nfs/dbraw/zinc/64/51/64/913645164.db2.gz AOZIVSWWPUMHAW-ROUUACIJSA-N 2 1 413.518 4.065 20 5 HIBDMP CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000504911114 913645175 /nfs/dbraw/zinc/64/51/75/913645175.db2.gz AOZIVSWWPUMHAW-ROUUACIJSA-N 2 1 413.518 4.065 20 5 HIBDMP CCC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000480687064 896049152 /nfs/dbraw/zinc/04/91/52/896049152.db2.gz DHEKVYKRSHFYLY-XMMPIXPASA-N 2 1 410.562 4.363 20 5 HIBDMP CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480715013 896076707 /nfs/dbraw/zinc/07/67/07/896076707.db2.gz RTRVKVPHQUYQDX-DEOSSOPVSA-N 2 1 410.562 4.363 20 5 HIBDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474783 915075587 /nfs/dbraw/zinc/07/55/87/915075587.db2.gz POWCYSJCGABJFL-RTBURBONSA-N 2 1 412.534 4.379 20 5 HIBDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474783 915075607 /nfs/dbraw/zinc/07/56/07/915075607.db2.gz POWCYSJCGABJFL-RTBURBONSA-N 2 1 412.534 4.379 20 5 HIBDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474783 915075628 /nfs/dbraw/zinc/07/56/28/915075628.db2.gz POWCYSJCGABJFL-RTBURBONSA-N 2 1 412.534 4.379 20 5 HIBDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474783 915075644 /nfs/dbraw/zinc/07/56/44/915075644.db2.gz POWCYSJCGABJFL-RTBURBONSA-N 2 1 412.534 4.379 20 5 HIBDMP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000508681781 917445718 /nfs/dbraw/zinc/44/57/18/917445718.db2.gz VZZLMASPPLRRNN-INIZCTEOSA-N 2 1 410.474 4.052 20 5 HIBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000508681781 917445722 /nfs/dbraw/zinc/44/57/22/917445722.db2.gz VZZLMASPPLRRNN-INIZCTEOSA-N 2 1 410.474 4.052 20 5 HIBDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccc([N+](=O)[O-])c3C)CC2)c1C ZINC000509072698 917818484 /nfs/dbraw/zinc/81/84/84/917818484.db2.gz ZPKGFHYCZVIMIP-UHFFFAOYSA-N 2 1 412.534 4.020 20 5 HIBDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccc([N+](=O)[O-])c3C)CC2)c1C ZINC000509072698 917818486 /nfs/dbraw/zinc/81/84/86/917818486.db2.gz ZPKGFHYCZVIMIP-UHFFFAOYSA-N 2 1 412.534 4.020 20 5 HIBDMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000513832146 922160249 /nfs/dbraw/zinc/16/02/49/922160249.db2.gz DMZQDDHFKDOPMP-DENIHFKCSA-N 2 1 415.578 4.319 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548931856 941130194 /nfs/dbraw/zinc/13/01/94/941130194.db2.gz FCSDQSBKGMEJOU-QFIPXVFZSA-N 2 1 424.545 4.122 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548931856 941130196 /nfs/dbraw/zinc/13/01/96/941130196.db2.gz FCSDQSBKGMEJOU-QFIPXVFZSA-N 2 1 424.545 4.122 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549165761 941167624 /nfs/dbraw/zinc/16/76/24/941167624.db2.gz NPTIZUPWXXRBTB-QFIPXVFZSA-N 2 1 424.545 4.122 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549165761 941167626 /nfs/dbraw/zinc/16/76/26/941167626.db2.gz NPTIZUPWXXRBTB-QFIPXVFZSA-N 2 1 424.545 4.122 20 5 HIBDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1[N+](=O)[O-] ZINC000551263049 941438935 /nfs/dbraw/zinc/43/89/35/941438935.db2.gz LDEUYFHGFZAXMW-OFNKIYASSA-N 2 1 423.557 4.483 20 5 HIBDMP CC1CC[NH+](C2CCC([NH2+][C@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000552274849 941620313 /nfs/dbraw/zinc/62/03/13/941620313.db2.gz DIEBCWVBOHRWOD-AOMIVXANSA-N 2 1 411.550 4.050 20 5 HIBDMP COc1cc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000573767628 948293975 /nfs/dbraw/zinc/29/39/75/948293975.db2.gz WHPMUBSYKMOEFI-LJQANCHMSA-N 2 1 413.518 4.004 20 5 HIBDMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236826585 853926576 /nfs/dbraw/zinc/92/65/76/853926576.db2.gz PBHJAUBUSAKARG-CYBMUJFWSA-N 2 1 408.296 4.049 20 5 HIBDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236826585 853926578 /nfs/dbraw/zinc/92/65/78/853926578.db2.gz PBHJAUBUSAKARG-CYBMUJFWSA-N 2 1 408.296 4.049 20 5 HIBDMP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000238011004 854133653 /nfs/dbraw/zinc/13/36/53/854133653.db2.gz LWLUTIAXIXMZSB-UHFFFAOYSA-N 2 1 417.513 4.164 20 5 HIBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000504893819 913622898 /nfs/dbraw/zinc/62/28/98/913622898.db2.gz IGHGDTTVJUWAHR-KRWDZBQOSA-N 2 1 400.548 4.428 20 5 HIBDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000480779919 896144691 /nfs/dbraw/zinc/14/46/91/896144691.db2.gz OYKQRBRYSORKKW-GOSISDBHSA-N 2 1 416.591 4.392 20 5 HIBDMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000481911954 897293957 /nfs/dbraw/zinc/29/39/57/897293957.db2.gz UJGXMNUSFKOYFK-MRXNPFEDSA-N 2 1 403.548 4.475 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000490097756 903768805 /nfs/dbraw/zinc/76/88/05/903768805.db2.gz BQQGMKKSUGDTPA-LJQANCHMSA-N 2 1 402.583 4.092 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000490097756 903768809 /nfs/dbraw/zinc/76/88/09/903768809.db2.gz BQQGMKKSUGDTPA-LJQANCHMSA-N 3 1 402.583 4.092 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000490097756 903768814 /nfs/dbraw/zinc/76/88/14/903768814.db2.gz BQQGMKKSUGDTPA-LJQANCHMSA-N 3 1 402.583 4.092 20 5 HIBDMP CC[N@H+]1CCC[C@@H](CN(C)c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)[C@@H]1c1cnn(C)c1 ZINC000509616767 918265023 /nfs/dbraw/zinc/26/50/23/918265023.db2.gz ITRFFPNSXQTQOL-GAJHUEQPSA-N 2 1 422.533 4.094 20 5 HIBDMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531702992 931164895 /nfs/dbraw/zinc/16/48/95/931164895.db2.gz ZZKQWSDKHHVKQP-QGZVFWFLSA-N 2 1 416.591 4.248 20 5 HIBDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000532507017 931466594 /nfs/dbraw/zinc/46/65/94/931466594.db2.gz AOLFTXIKXMJEDG-SJORKVTESA-N 2 1 403.548 4.211 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000533347545 931844723 /nfs/dbraw/zinc/84/47/23/931844723.db2.gz MXTQZVIDMLROLZ-TZIWHRDSSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000533347545 931844728 /nfs/dbraw/zinc/84/47/28/931844728.db2.gz MXTQZVIDMLROLZ-TZIWHRDSSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000533347545 931844730 /nfs/dbraw/zinc/84/47/30/931844730.db2.gz MXTQZVIDMLROLZ-TZIWHRDSSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000533347545 931844733 /nfs/dbraw/zinc/84/47/33/931844733.db2.gz MXTQZVIDMLROLZ-TZIWHRDSSA-N 2 1 424.545 4.217 20 5 HIBDMP COc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c([N+](=O)[O-])cc1OC ZINC000539824165 938946470 /nfs/dbraw/zinc/94/64/70/938946470.db2.gz AMXMBPRKHVSKBJ-QGZVFWFLSA-N 2 1 405.539 4.089 20 5 HIBDMP COc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c([N+](=O)[O-])cc1OC ZINC000539824165 938946483 /nfs/dbraw/zinc/94/64/83/938946483.db2.gz AMXMBPRKHVSKBJ-QGZVFWFLSA-N 2 1 405.539 4.089 20 5 HIBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540145338 939090542 /nfs/dbraw/zinc/09/05/42/939090542.db2.gz GUTSCAWPJHXLJQ-SVFBPWRDSA-N 2 1 424.545 4.202 20 5 HIBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540145337 939090940 /nfs/dbraw/zinc/09/09/40/939090940.db2.gz GUTSCAWPJHXLJQ-SFHLNBCPSA-N 2 1 424.545 4.202 20 5 HIBDMP CCc1ccc([C@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422835 940060422 /nfs/dbraw/zinc/06/04/22/940060422.db2.gz NOWLQDYXOXYJKH-PMAPCBKXSA-N 2 1 415.534 4.319 20 5 HIBDMP Cc1c(NC(=O)CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cccc1[N+](=O)[O-] ZINC000549166087 941167737 /nfs/dbraw/zinc/16/77/37/941167737.db2.gz ODVHPFKPLKRSAQ-QFIPXVFZSA-N 2 1 424.545 4.122 20 5 HIBDMP Cc1c(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cccc1[N+](=O)[O-] ZINC000549166087 941167739 /nfs/dbraw/zinc/16/77/39/941167739.db2.gz ODVHPFKPLKRSAQ-QFIPXVFZSA-N 2 1 424.545 4.122 20 5 HIBDMP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)c2c1 ZINC000575021120 948574910 /nfs/dbraw/zinc/57/49/10/948574910.db2.gz QNFKNTMQSYRDNZ-UHFFFAOYSA-N 2 1 410.493 4.054 20 5 HIBDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236817262 853926557 /nfs/dbraw/zinc/92/65/57/853926557.db2.gz ITIRUWOSARGFLP-LJQANCHMSA-N 2 1 419.529 4.269 20 5 HIBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)s2)cc1 ZINC000238001980 854131697 /nfs/dbraw/zinc/13/16/97/854131697.db2.gz WRFIIJDNDNPODM-UHFFFAOYSA-N 2 1 423.538 4.445 20 5 HIBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000470180540 884466914 /nfs/dbraw/zinc/46/69/14/884466914.db2.gz OPYDEKCBIACNHA-LVZFUZTISA-N 2 1 414.594 4.126 20 5 HIBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000470180540 884466925 /nfs/dbraw/zinc/46/69/25/884466925.db2.gz OPYDEKCBIACNHA-LVZFUZTISA-N 3 1 414.594 4.126 20 5 HIBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000470180540 884466944 /nfs/dbraw/zinc/46/69/44/884466944.db2.gz OPYDEKCBIACNHA-LVZFUZTISA-N 3 1 414.594 4.126 20 5 HIBDMP Cc1cc(N2CCC([NH2+][C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000493249399 905067231 /nfs/dbraw/zinc/06/72/31/905067231.db2.gz PVCMECKDAFBNRL-DEOSSOPVSA-N 2 1 417.513 4.350 20 5 HIBDMP Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513406705 921774213 /nfs/dbraw/zinc/77/42/13/921774213.db2.gz WLQSPOBAKPXYAE-IBGZPJMESA-N 2 1 411.550 4.083 20 5 HIBDMP Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513406705 921774223 /nfs/dbraw/zinc/77/42/23/921774223.db2.gz WLQSPOBAKPXYAE-IBGZPJMESA-N 2 1 411.550 4.083 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000532651285 931569049 /nfs/dbraw/zinc/56/90/49/931569049.db2.gz QDFRNQQJIOYSNW-PZJWPPBQSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000532651285 931569054 /nfs/dbraw/zinc/56/90/54/931569054.db2.gz QDFRNQQJIOYSNW-PZJWPPBQSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000532651285 931569060 /nfs/dbraw/zinc/56/90/60/931569060.db2.gz QDFRNQQJIOYSNW-PZJWPPBQSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000532651285 931569066 /nfs/dbraw/zinc/56/90/66/931569066.db2.gz QDFRNQQJIOYSNW-PZJWPPBQSA-N 2 1 424.545 4.217 20 5 HIBDMP O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccc2)c1 ZINC000543777450 940183256 /nfs/dbraw/zinc/18/32/56/940183256.db2.gz WHAZSGJUWVFDLA-JWQCQUIFSA-N 2 1 417.509 4.041 20 5 HIBDMP O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2ccccc2)c1 ZINC000543777450 940183259 /nfs/dbraw/zinc/18/32/59/940183259.db2.gz WHAZSGJUWVFDLA-JWQCQUIFSA-N 2 1 417.509 4.041 20 5 HIBDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000554606476 942175024 /nfs/dbraw/zinc/17/50/24/942175024.db2.gz QHFONIDRBFTREB-FQEVSTJZSA-N 2 1 413.518 4.002 20 5 HIBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000564428869 945578195 /nfs/dbraw/zinc/57/81/95/945578195.db2.gz YVMSRQZFKSZCGR-BHIFYINESA-N 2 1 411.550 4.167 20 5 HIBDMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C1)CCCC2 ZINC000434486530 860369216 /nfs/dbraw/zinc/36/92/16/860369216.db2.gz RAXNWFHORYBHNZ-IBGZPJMESA-N 2 1 421.501 4.123 20 5 HIBDMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C1)CCCC2 ZINC000434486530 860369225 /nfs/dbraw/zinc/36/92/25/860369225.db2.gz RAXNWFHORYBHNZ-IBGZPJMESA-N 2 1 421.501 4.123 20 5 HIBDMP C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464830923 878088000 /nfs/dbraw/zinc/08/80/00/878088000.db2.gz BPWUICSTXCSPHR-HXUWFJFHSA-N 2 1 420.513 4.246 20 5 HIBDMP C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464830923 878088021 /nfs/dbraw/zinc/08/80/21/878088021.db2.gz BPWUICSTXCSPHR-HXUWFJFHSA-N 2 1 420.513 4.246 20 5 HIBDMP C[NH+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464830923 878088037 /nfs/dbraw/zinc/08/80/37/878088037.db2.gz BPWUICSTXCSPHR-HXUWFJFHSA-N 2 1 420.513 4.246 20 5 HIBDMP C[NH+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464830923 878088059 /nfs/dbraw/zinc/08/80/59/878088059.db2.gz BPWUICSTXCSPHR-HXUWFJFHSA-N 2 1 420.513 4.246 20 5 HIBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000504893820 913621733 /nfs/dbraw/zinc/62/17/33/913621733.db2.gz IGHGDTTVJUWAHR-QGZVFWFLSA-N 2 1 400.548 4.428 20 5 HIBDMP COc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000513501732 921851040 /nfs/dbraw/zinc/85/10/40/921851040.db2.gz UYRIFTLNLCIZTA-MJGOQNOKSA-N 2 1 413.518 4.002 20 5 HIBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000513824738 922149782 /nfs/dbraw/zinc/14/97/82/922149782.db2.gz PTNGGPPOXCFZOX-KRXUUXHPSA-N 2 1 403.567 4.033 20 5 HIBDMP Cc1c(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000515756610 923328417 /nfs/dbraw/zinc/32/84/17/923328417.db2.gz OTRPQBGVOBRMOA-PKOBYXMFSA-N 2 1 424.545 4.394 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000533413206 931860916 /nfs/dbraw/zinc/86/09/16/931860916.db2.gz LYIOULLCMLFFPM-UHFFFAOYSA-N 2 1 424.545 4.076 20 5 HIBDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000538210386 938557266 /nfs/dbraw/zinc/55/72/66/938557266.db2.gz HKYMSNRNUUWQRU-OAHLLOKOSA-N 2 1 420.916 4.380 20 5 HIBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000538796172 938714160 /nfs/dbraw/zinc/71/41/60/938714160.db2.gz SXSRJHTUQAXQAP-YZGWKJHDSA-N 2 1 401.532 4.007 20 5 HIBDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887032 942308824 /nfs/dbraw/zinc/30/88/24/942308824.db2.gz APGHQFONPXQMKS-UGSOOPFHSA-N 2 1 422.323 4.389 20 5 HIBDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887032 942308829 /nfs/dbraw/zinc/30/88/29/942308829.db2.gz APGHQFONPXQMKS-UGSOOPFHSA-N 2 1 422.323 4.389 20 5 HIBDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887032 942308834 /nfs/dbraw/zinc/30/88/34/942308834.db2.gz APGHQFONPXQMKS-UGSOOPFHSA-N 2 1 422.323 4.389 20 5 HIBDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887032 942308840 /nfs/dbraw/zinc/30/88/40/942308840.db2.gz APGHQFONPXQMKS-UGSOOPFHSA-N 2 1 422.323 4.389 20 5 HIBDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887030 942309126 /nfs/dbraw/zinc/30/91/26/942309126.db2.gz APGHQFONPXQMKS-SCLBCKFNSA-N 2 1 422.323 4.389 20 5 HIBDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887030 942309131 /nfs/dbraw/zinc/30/91/31/942309131.db2.gz APGHQFONPXQMKS-SCLBCKFNSA-N 2 1 422.323 4.389 20 5 HIBDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887030 942309138 /nfs/dbraw/zinc/30/91/38/942309138.db2.gz APGHQFONPXQMKS-SCLBCKFNSA-N 2 1 422.323 4.389 20 5 HIBDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887030 942309142 /nfs/dbraw/zinc/30/91/42/942309142.db2.gz APGHQFONPXQMKS-SCLBCKFNSA-N 2 1 422.323 4.389 20 5 HIBDMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236823712 853926752 /nfs/dbraw/zinc/92/67/52/853926752.db2.gz PBHJAUBUSAKARG-ZDUSSCGKSA-N 2 1 408.296 4.049 20 5 HIBDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236823712 853926755 /nfs/dbraw/zinc/92/67/55/853926755.db2.gz PBHJAUBUSAKARG-ZDUSSCGKSA-N 2 1 408.296 4.049 20 5 HIBDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000432414837 859154201 /nfs/dbraw/zinc/15/42/01/859154201.db2.gz MNQMXBRJBZMAIM-IAGOWNOFSA-N 2 1 403.548 4.475 20 5 HIBDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000432414837 859154208 /nfs/dbraw/zinc/15/42/08/859154208.db2.gz MNQMXBRJBZMAIM-IAGOWNOFSA-N 2 1 403.548 4.475 20 5 HIBDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447546334 871417072 /nfs/dbraw/zinc/41/70/72/871417072.db2.gz VARWLOBRARKCPK-VXKWHMMOSA-N 2 1 423.517 4.290 20 5 HIBDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000476984853 891910678 /nfs/dbraw/zinc/91/06/78/891910678.db2.gz NCSHXYKMZJWWRF-KRWDZBQOSA-N 2 1 413.522 4.121 20 5 HIBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000476984853 891910693 /nfs/dbraw/zinc/91/06/93/891910693.db2.gz NCSHXYKMZJWWRF-KRWDZBQOSA-N 2 1 413.522 4.121 20 5 HIBDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482550271 898140419 /nfs/dbraw/zinc/14/04/19/898140419.db2.gz PYVTYPMVEMCTBZ-QGZVFWFLSA-N 2 1 402.564 4.002 20 5 HIBDMP C[NH+](C)CCOc1cccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000490135206 903784673 /nfs/dbraw/zinc/78/46/73/903784673.db2.gz FYLZXYIQNAYHAV-XMMPIXPASA-N 2 1 405.498 4.414 20 5 HIBDMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531702991 931164662 /nfs/dbraw/zinc/16/46/62/931164662.db2.gz ZZKQWSDKHHVKQP-KRWDZBQOSA-N 2 1 416.591 4.248 20 5 HIBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)o2)c1 ZINC000532950081 931708501 /nfs/dbraw/zinc/70/85/01/931708501.db2.gz XUAOKHNVDMWUTK-LJQANCHMSA-N 2 1 412.534 4.380 20 5 HIBDMP CCc1ccc([C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422829 940060081 /nfs/dbraw/zinc/06/00/81/940060081.db2.gz NOWLQDYXOXYJKH-IEGUWTFLSA-N 2 1 415.534 4.319 20 5 HIBDMP CCc1ccc([C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422829 940060082 /nfs/dbraw/zinc/06/00/82/940060082.db2.gz NOWLQDYXOXYJKH-IEGUWTFLSA-N 2 1 415.534 4.319 20 5 HIBDMP CC1CC[NH+](C2CCC([NH2+][C@@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000552274850 941620281 /nfs/dbraw/zinc/62/02/81/941620281.db2.gz DIEBCWVBOHRWOD-QETWGEEDSA-N 2 1 411.550 4.050 20 5 HIBDMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061555133 851403687 /nfs/dbraw/zinc/40/36/87/851403687.db2.gz YFLKEFCILQBBHQ-UHFFFAOYSA-N 2 1 407.518 4.125 20 5 HIBDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237520703 854049633 /nfs/dbraw/zinc/04/96/33/854049633.db2.gz NAJDZOXMYJHODT-SFHVURJKSA-N 2 1 419.529 4.311 20 5 HIBDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000433168086 859550697 /nfs/dbraw/zinc/55/06/97/859550697.db2.gz LHHPJPXRXQJSJH-UZUQRXQVSA-N 2 1 409.530 4.328 20 5 HIBDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000433168086 859550704 /nfs/dbraw/zinc/55/07/04/859550704.db2.gz LHHPJPXRXQJSJH-UZUQRXQVSA-N 2 1 409.530 4.328 20 5 HIBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000504896193 913627499 /nfs/dbraw/zinc/62/74/99/913627499.db2.gz XFSAICONAUGLHW-FQEVSTJZSA-N 2 1 415.559 4.088 20 5 HIBDMP CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000504911113 913644931 /nfs/dbraw/zinc/64/49/31/913644931.db2.gz AOZIVSWWPUMHAW-QZTJIDSGSA-N 2 1 413.518 4.065 20 5 HIBDMP CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000504911113 913644952 /nfs/dbraw/zinc/64/49/52/913644952.db2.gz AOZIVSWWPUMHAW-QZTJIDSGSA-N 2 1 413.518 4.065 20 5 HIBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478057371 893213540 /nfs/dbraw/zinc/21/35/40/893213540.db2.gz WPCPODWRLCGKFO-IBGZPJMESA-N 2 1 416.566 4.208 20 5 HIBDMP CCC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000480687062 896049784 /nfs/dbraw/zinc/04/97/84/896049784.db2.gz DHEKVYKRSHFYLY-DEOSSOPVSA-N 2 1 410.562 4.363 20 5 HIBDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000480779920 896145055 /nfs/dbraw/zinc/14/50/55/896145055.db2.gz OYKQRBRYSORKKW-SFHVURJKSA-N 2 1 416.591 4.392 20 5 HIBDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482550268 898140353 /nfs/dbraw/zinc/14/03/53/898140353.db2.gz PYVTYPMVEMCTBZ-KRWDZBQOSA-N 2 1 402.564 4.002 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000533347542 931844633 /nfs/dbraw/zinc/84/46/33/931844633.db2.gz MXTQZVIDMLROLZ-CTNGQTDRSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000533347542 931844636 /nfs/dbraw/zinc/84/46/36/931844636.db2.gz MXTQZVIDMLROLZ-CTNGQTDRSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000533347542 931844638 /nfs/dbraw/zinc/84/46/38/931844638.db2.gz MXTQZVIDMLROLZ-CTNGQTDRSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000533347542 931844639 /nfs/dbraw/zinc/84/46/39/931844639.db2.gz MXTQZVIDMLROLZ-CTNGQTDRSA-N 2 1 424.545 4.217 20 5 HIBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539894189 938970148 /nfs/dbraw/zinc/97/01/48/938970148.db2.gz GFBLFYXSFPHPLA-RFVSGWPVSA-N 2 1 419.909 4.192 20 5 HIBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539894189 938970154 /nfs/dbraw/zinc/97/01/54/938970154.db2.gz GFBLFYXSFPHPLA-RFVSGWPVSA-N 2 1 419.909 4.192 20 5 HIBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000541952537 939661200 /nfs/dbraw/zinc/66/12/00/939661200.db2.gz QHEYNBHXDMAZJQ-CVEARBPZSA-N 2 1 407.474 4.075 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882161 941378759 /nfs/dbraw/zinc/37/87/59/941378759.db2.gz IZVULVANSXMVAC-RBBKRZOGSA-N 2 1 423.557 4.483 20 5 HIBDMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000061016534 851274452 /nfs/dbraw/zinc/27/44/52/851274452.db2.gz SWALAOWALWQKMY-UHFFFAOYSA-N 2 1 413.518 4.146 20 5 HIBDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236668293 853909320 /nfs/dbraw/zinc/90/93/20/853909320.db2.gz RIUCXZPFASWWQY-UHFFFAOYSA-N 2 1 407.518 4.125 20 5 HIBDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000236930884 853939112 /nfs/dbraw/zinc/93/91/12/853939112.db2.gz AMMXEFVFLPGMHJ-FQEVSTJZSA-N 2 1 413.518 4.004 20 5 HIBDMP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433237738 859584087 /nfs/dbraw/zinc/58/40/87/859584087.db2.gz ZPPWTFJUTIYZHP-OFNKIYASSA-N 2 1 409.530 4.064 20 5 HIBDMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433237736 859584267 /nfs/dbraw/zinc/58/42/67/859584267.db2.gz ZPPWTFJUTIYZHP-NFBKMPQASA-N 2 1 409.530 4.064 20 5 HIBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000447530082 871396337 /nfs/dbraw/zinc/39/63/37/871396337.db2.gz NFOFHZIOTGDXRT-DSBNJHONSA-N 2 1 409.534 4.060 20 5 HIBDMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000447585184 871493911 /nfs/dbraw/zinc/49/39/11/871493911.db2.gz JEAMNGPNKYYLMK-GBAJDQEWSA-N 2 1 411.550 4.165 20 5 HIBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481175121 896510039 /nfs/dbraw/zinc/51/00/39/896510039.db2.gz LWLICZOTMVNXMR-XMSQKQJNSA-N 2 1 420.513 4.293 20 5 HIBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000489673755 903535945 /nfs/dbraw/zinc/53/59/45/903535945.db2.gz BIUILYQWLCTUPH-LJQANCHMSA-N 2 1 424.545 4.074 20 5 HIBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000489673755 903535952 /nfs/dbraw/zinc/53/59/52/903535952.db2.gz BIUILYQWLCTUPH-LJQANCHMSA-N 2 1 424.545 4.074 20 5 HIBDMP Cc1cc(N2CCC([NH2+][C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000493249405 905066855 /nfs/dbraw/zinc/06/68/55/905066855.db2.gz PVCMECKDAFBNRL-XMMPIXPASA-N 2 1 417.513 4.350 20 5 HIBDMP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)CC1CC[NH+](C)CC1 ZINC000513716379 922036192 /nfs/dbraw/zinc/03/61/92/922036192.db2.gz ATNJQGWWOWTMGM-UHFFFAOYSA-N 2 1 422.323 4.391 20 5 HIBDMP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000537323683 933716681 /nfs/dbraw/zinc/71/66/81/933716681.db2.gz LHABWKOOTVYQMD-XMSQKQJNSA-N 2 1 419.529 4.138 20 5 HIBDMP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000537323683 933716688 /nfs/dbraw/zinc/71/66/88/933716688.db2.gz LHABWKOOTVYQMD-XMSQKQJNSA-N 2 1 419.529 4.138 20 5 HIBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540140075 939087859 /nfs/dbraw/zinc/08/78/59/939087859.db2.gz AMCTZOZUFNOKBF-DYXWJJEUSA-N 2 1 424.545 4.202 20 5 HIBDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1[N+](=O)[O-] ZINC000551263051 941438712 /nfs/dbraw/zinc/43/87/12/941438712.db2.gz LDEUYFHGFZAXMW-REWPJTCUSA-N 2 1 423.557 4.483 20 5 HIBDMP CC(C)[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236621353 853904005 /nfs/dbraw/zinc/90/40/05/853904005.db2.gz RTXOLZDMRNHZQZ-UHFFFAOYSA-N 2 1 419.529 4.410 20 5 HIBDMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236808620 853926065 /nfs/dbraw/zinc/92/60/65/853926065.db2.gz VAYXDKWUDGUHPO-AWEZNQCLSA-N 2 1 422.323 4.439 20 5 HIBDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236808620 853926070 /nfs/dbraw/zinc/92/60/70/853926070.db2.gz VAYXDKWUDGUHPO-AWEZNQCLSA-N 2 1 422.323 4.439 20 5 HIBDMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237111144 853966813 /nfs/dbraw/zinc/96/68/13/853966813.db2.gz FGDYWQKETNQERE-UHFFFAOYSA-N 2 1 413.518 4.145 20 5 HIBDMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000447535515 871399482 /nfs/dbraw/zinc/39/94/82/871399482.db2.gz GQXONLWANIEGKI-RHGYRFJNSA-N 2 1 409.530 4.371 20 5 HIBDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)cs1 ZINC000447534820 871400752 /nfs/dbraw/zinc/40/07/52/871400752.db2.gz AFKFEDVHHCEQLX-NRFANRHFSA-N 2 1 414.575 4.493 20 5 HIBDMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000447535288 871401189 /nfs/dbraw/zinc/40/11/89/871401189.db2.gz DZJZHMRBGQKKNR-WWNBULGVSA-N 2 1 403.552 4.009 20 5 HIBDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000447535288 871401206 /nfs/dbraw/zinc/40/12/06/871401206.db2.gz DZJZHMRBGQKKNR-WWNBULGVSA-N 2 1 403.552 4.009 20 5 HIBDMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000447585183 871494269 /nfs/dbraw/zinc/49/42/69/871494269.db2.gz JEAMNGPNKYYLMK-FVTFTPSCSA-N 2 1 411.550 4.165 20 5 HIBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510976119 919525141 /nfs/dbraw/zinc/52/51/41/919525141.db2.gz FDWBOIDTNOUJJN-XMSQKQJNSA-N 2 1 424.545 4.202 20 5 HIBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510976119 919525167 /nfs/dbraw/zinc/52/51/67/919525167.db2.gz FDWBOIDTNOUJJN-XMSQKQJNSA-N 2 1 424.545 4.202 20 5 HIBDMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC1CC[NH+](C)CC1 ZINC000513741240 922061871 /nfs/dbraw/zinc/06/18/71/922061871.db2.gz IYHHFHYFUVGGCG-UHFFFAOYSA-N 2 1 419.529 4.221 20 5 HIBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000514247329 922587750 /nfs/dbraw/zinc/58/77/50/922587750.db2.gz YODSBHOGXBYSOD-IBGZPJMESA-N 2 1 423.538 4.180 20 5 HIBDMP O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000524637716 929747628 /nfs/dbraw/zinc/74/76/28/929747628.db2.gz QETMOAAAXJHMEE-QHCPKHFHSA-N 2 1 423.538 4.050 20 5 HIBDMP O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000524637716 929747636 /nfs/dbraw/zinc/74/76/36/929747636.db2.gz QETMOAAAXJHMEE-QHCPKHFHSA-N 2 1 423.538 4.050 20 5 HIBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000524637716 929747640 /nfs/dbraw/zinc/74/76/40/929747640.db2.gz QETMOAAAXJHMEE-QHCPKHFHSA-N 2 1 423.538 4.050 20 5 HIBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000524637716 929747647 /nfs/dbraw/zinc/74/76/47/929747647.db2.gz QETMOAAAXJHMEE-QHCPKHFHSA-N 2 1 423.538 4.050 20 5 HIBDMP Cc1c(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484320 931881345 /nfs/dbraw/zinc/88/13/45/931881345.db2.gz HBPIGMGQFQRBPJ-NQIIRXRSSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1c(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484320 931881346 /nfs/dbraw/zinc/88/13/46/931881346.db2.gz HBPIGMGQFQRBPJ-NQIIRXRSSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484320 931881348 /nfs/dbraw/zinc/88/13/48/931881348.db2.gz HBPIGMGQFQRBPJ-NQIIRXRSSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1c(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484320 931881353 /nfs/dbraw/zinc/88/13/53/931881353.db2.gz HBPIGMGQFQRBPJ-NQIIRXRSSA-N 2 1 424.545 4.217 20 5 HIBDMP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)c2c1 ZINC000570005233 947069177 /nfs/dbraw/zinc/06/91/77/947069177.db2.gz OMDWKLJOFALFBQ-WNOPAQSVSA-N 2 1 404.514 4.119 20 5 HIBDMP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000238011324 854133884 /nfs/dbraw/zinc/13/38/84/854133884.db2.gz KLGSLBHQQAOZBP-GOSISDBHSA-N 2 1 417.513 4.021 20 5 HIBDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)CC2)oc1C ZINC000433176381 859555313 /nfs/dbraw/zinc/55/53/13/859555313.db2.gz OQOTXWSMAWWFAR-NRFANRHFSA-N 2 1 412.534 4.424 20 5 HIBDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447546335 871414657 /nfs/dbraw/zinc/41/46/57/871414657.db2.gz VARWLOBRARKCPK-YADHBBJMSA-N 2 1 423.517 4.290 20 5 HIBDMP CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000490587671 904120473 /nfs/dbraw/zinc/12/04/73/904120473.db2.gz JHGVBOGNOQFPEO-UHFFFAOYSA-N 2 1 401.486 4.022 20 5 HIBDMP CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000490587671 904120478 /nfs/dbraw/zinc/12/04/78/904120478.db2.gz JHGVBOGNOQFPEO-UHFFFAOYSA-N 2 1 401.486 4.022 20 5 HIBDMP CC(C)c1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000538722358 938691588 /nfs/dbraw/zinc/69/15/88/938691588.db2.gz MHEZVWKFCIJJJD-UHFFFAOYSA-N 2 1 416.610 4.346 20 5 HIBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)s2)cc1 ZINC000543764233 940177771 /nfs/dbraw/zinc/17/77/71/940177771.db2.gz OHOJWKACMJSKTA-NRFANRHFSA-N 2 1 423.538 4.180 20 5 HIBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000543810639 940194025 /nfs/dbraw/zinc/19/40/25/940194025.db2.gz YWUYCGPHFZMFAF-ZDUSSCGKSA-N 2 1 413.865 4.032 20 5 HIBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000447530084 871395172 /nfs/dbraw/zinc/39/51/72/871395172.db2.gz NFOFHZIOTGDXRT-GLHNNUHNSA-N 2 1 409.534 4.060 20 5 HIBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478053972 893205833 /nfs/dbraw/zinc/20/58/33/893205833.db2.gz NWNQVNOGZZVEFC-IEBWSBKVSA-N 2 1 416.566 4.207 20 5 HIBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478053972 893205855 /nfs/dbraw/zinc/20/58/55/893205855.db2.gz NWNQVNOGZZVEFC-IEBWSBKVSA-N 2 1 416.566 4.207 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000490097755 903768557 /nfs/dbraw/zinc/76/85/57/903768557.db2.gz BQQGMKKSUGDTPA-IBGZPJMESA-N 2 1 402.583 4.092 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000490097755 903768568 /nfs/dbraw/zinc/76/85/68/903768568.db2.gz BQQGMKKSUGDTPA-IBGZPJMESA-N 3 1 402.583 4.092 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000490097755 903768581 /nfs/dbraw/zinc/76/85/81/903768581.db2.gz BQQGMKKSUGDTPA-IBGZPJMESA-N 3 1 402.583 4.092 20 5 HIBDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474780 915074693 /nfs/dbraw/zinc/07/46/93/915074693.db2.gz POWCYSJCGABJFL-MOPGFXCFSA-N 2 1 412.534 4.379 20 5 HIBDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474780 915074710 /nfs/dbraw/zinc/07/47/10/915074710.db2.gz POWCYSJCGABJFL-MOPGFXCFSA-N 2 1 412.534 4.379 20 5 HIBDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474780 915074730 /nfs/dbraw/zinc/07/47/30/915074730.db2.gz POWCYSJCGABJFL-MOPGFXCFSA-N 2 1 412.534 4.379 20 5 HIBDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474780 915074747 /nfs/dbraw/zinc/07/47/47/915074747.db2.gz POWCYSJCGABJFL-MOPGFXCFSA-N 2 1 412.534 4.379 20 5 HIBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510944920 919474807 /nfs/dbraw/zinc/47/48/07/919474807.db2.gz ATKBAIPLTLZOAD-PGRDOPGGSA-N 2 1 424.545 4.202 20 5 HIBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510944920 919474841 /nfs/dbraw/zinc/47/48/41/919474841.db2.gz ATKBAIPLTLZOAD-PGRDOPGGSA-N 2 1 424.545 4.202 20 5 HIBDMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000513832147 922159428 /nfs/dbraw/zinc/15/94/28/922159428.db2.gz DMZQDDHFKDOPMP-KNQAVFIVSA-N 2 1 415.578 4.319 20 5 HIBDMP Cc1c(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484322 931880921 /nfs/dbraw/zinc/88/09/21/931880921.db2.gz HBPIGMGQFQRBPJ-RXVVDRJESA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1c(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484322 931880924 /nfs/dbraw/zinc/88/09/24/931880924.db2.gz HBPIGMGQFQRBPJ-RXVVDRJESA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484322 931880925 /nfs/dbraw/zinc/88/09/25/931880925.db2.gz HBPIGMGQFQRBPJ-RXVVDRJESA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1c(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484322 931880929 /nfs/dbraw/zinc/88/09/29/931880929.db2.gz HBPIGMGQFQRBPJ-RXVVDRJESA-N 2 1 424.545 4.217 20 5 HIBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540145336 939090683 /nfs/dbraw/zinc/09/06/83/939090683.db2.gz GUTSCAWPJHXLJQ-SBHAEUEKSA-N 2 1 424.545 4.202 20 5 HIBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000541952540 939661210 /nfs/dbraw/zinc/66/12/10/939661210.db2.gz QHEYNBHXDMAZJQ-JKSUJKDBSA-N 2 1 407.474 4.075 20 5 HIBDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H](C)O1 ZINC000237609540 854061588 /nfs/dbraw/zinc/06/15/88/854061588.db2.gz AMZFPHNQAQWTAD-CALCHBBNSA-N 2 1 403.548 4.302 20 5 HIBDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C1)CCCC2 ZINC000434486531 860369784 /nfs/dbraw/zinc/36/97/84/860369784.db2.gz RAXNWFHORYBHNZ-LJQANCHMSA-N 2 1 421.501 4.123 20 5 HIBDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C1)CCCC2 ZINC000434486531 860369789 /nfs/dbraw/zinc/36/97/89/860369789.db2.gz RAXNWFHORYBHNZ-LJQANCHMSA-N 2 1 421.501 4.123 20 5 HIBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000504912365 913647048 /nfs/dbraw/zinc/64/70/48/913647048.db2.gz VEGBNPPEISHVCZ-QGZVFWFLSA-N 2 1 415.563 4.131 20 5 HIBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478053976 893204896 /nfs/dbraw/zinc/20/48/96/893204896.db2.gz NWNQVNOGZZVEFC-PKOBYXMFSA-N 2 1 416.566 4.207 20 5 HIBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478053976 893204920 /nfs/dbraw/zinc/20/49/20/893204920.db2.gz NWNQVNOGZZVEFC-PKOBYXMFSA-N 2 1 416.566 4.207 20 5 HIBDMP Cn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513406706 921774757 /nfs/dbraw/zinc/77/47/57/921774757.db2.gz WLQSPOBAKPXYAE-LJQANCHMSA-N 2 1 411.550 4.083 20 5 HIBDMP Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513406706 921774768 /nfs/dbraw/zinc/77/47/68/921774768.db2.gz WLQSPOBAKPXYAE-LJQANCHMSA-N 2 1 411.550 4.083 20 5 HIBDMP CN(c1ccccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC[NH+](C)CC1 ZINC000507155599 915896001 /nfs/dbraw/zinc/89/60/01/915896001.db2.gz PCMRIWIIJLMYNI-UHFFFAOYSA-N 2 1 408.546 4.290 20 5 HIBDMP CN(c1ccccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC[NH+](C)CC1 ZINC000507166141 915905785 /nfs/dbraw/zinc/90/57/85/915905785.db2.gz CYSBTDGSFMAPQM-UHFFFAOYSA-N 2 1 408.546 4.290 20 5 HIBDMP CN(c1ccccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC[NH+](C)CC1 ZINC000507166141 915905803 /nfs/dbraw/zinc/90/58/03/915905803.db2.gz CYSBTDGSFMAPQM-UHFFFAOYSA-N 2 1 408.546 4.290 20 5 HIBDMP CN(c1ccccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC[NH+](C)CC1 ZINC000507167150 915907666 /nfs/dbraw/zinc/90/76/66/915907666.db2.gz IUVPUAQDKBNTBR-UHFFFAOYSA-N 2 1 408.546 4.290 20 5 HIBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510944919 919475965 /nfs/dbraw/zinc/47/59/65/919475965.db2.gz ATKBAIPLTLZOAD-GCJKJVERSA-N 2 1 424.545 4.202 20 5 HIBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510944919 919475979 /nfs/dbraw/zinc/47/59/79/919475979.db2.gz ATKBAIPLTLZOAD-GCJKJVERSA-N 2 1 424.545 4.202 20 5 HIBDMP COc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000513501730 921851126 /nfs/dbraw/zinc/85/11/26/921851126.db2.gz UYRIFTLNLCIZTA-IEBWSBKVSA-N 2 1 413.518 4.002 20 5 HIBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000513824737 922149930 /nfs/dbraw/zinc/14/99/30/922149930.db2.gz PTNGGPPOXCFZOX-BLKABHOGSA-N 2 1 403.567 4.033 20 5 HIBDMP Cc1cc(N2CCC([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)nc(C)[nH+]1 ZINC000531164342 930949685 /nfs/dbraw/zinc/94/96/85/930949685.db2.gz QUXZKTGANCMEJY-UHFFFAOYSA-N 2 1 423.542 4.489 20 5 HIBDMP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000532486660 931457306 /nfs/dbraw/zinc/45/73/06/931457306.db2.gz JIZBRZGNAWIMHV-HSZRJFAPSA-N 2 1 424.545 4.247 20 5 HIBDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)CC1 ZINC000532511846 931468874 /nfs/dbraw/zinc/46/88/74/931468874.db2.gz VIYKLIRHTIRSIO-IBGZPJMESA-N 2 1 412.534 4.236 20 5 HIBDMP Cc1c(NC(=O)CC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000532954235 931709862 /nfs/dbraw/zinc/70/98/62/931709862.db2.gz PVCIGOANYYUUEQ-UHFFFAOYSA-N 2 1 424.545 4.076 20 5 HIBDMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000540408015 939237378 /nfs/dbraw/zinc/23/73/78/939237378.db2.gz OCIPDGLNCBVBNA-SJORKVTESA-N 2 1 400.498 4.288 20 5 HIBDMP Cc1c(NC(=O)CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cccc1[N+](=O)[O-] ZINC000549166084 941167681 /nfs/dbraw/zinc/16/76/81/941167681.db2.gz ODVHPFKPLKRSAQ-JOCHJYFZSA-N 2 1 424.545 4.122 20 5 HIBDMP Cc1c(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cccc1[N+](=O)[O-] ZINC000549166084 941167683 /nfs/dbraw/zinc/16/76/83/941167683.db2.gz ODVHPFKPLKRSAQ-JOCHJYFZSA-N 2 1 424.545 4.122 20 5 HIBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)o2)c(Br)c1 ZINC000236569219 853899852 /nfs/dbraw/zinc/89/98/52/853899852.db2.gz LJVPTTXDEUADKN-ZDUSSCGKSA-N 2 1 420.307 4.191 20 5 HIBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)o2)c(Br)c1 ZINC000236569219 853899856 /nfs/dbraw/zinc/89/98/56/853899856.db2.gz LJVPTTXDEUADKN-ZDUSSCGKSA-N 2 1 420.307 4.191 20 5 HIBDMP COc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237321565 854006135 /nfs/dbraw/zinc/00/61/35/854006135.db2.gz LAIDOPRNIADLMO-UHFFFAOYSA-N 2 1 413.518 4.145 20 5 HIBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)s2)cc1 ZINC000238001468 854131757 /nfs/dbraw/zinc/13/17/57/854131757.db2.gz FFMHEVBTSDPBKU-UHFFFAOYSA-N 2 1 423.538 4.445 20 5 HIBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000504893492 913622474 /nfs/dbraw/zinc/62/24/74/913622474.db2.gz GBYQLTKXVKUUJV-FQEVSTJZSA-N 2 1 415.559 4.088 20 5 HIBDMP C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000478053440 893203347 /nfs/dbraw/zinc/20/33/47/893203347.db2.gz LLRXOCHGCXVARL-QGZVFWFLSA-N 2 1 413.522 4.121 20 5 HIBDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000478053440 893203369 /nfs/dbraw/zinc/20/33/69/893203369.db2.gz LLRXOCHGCXVARL-QGZVFWFLSA-N 2 1 413.522 4.121 20 5 HIBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000478053440 893203386 /nfs/dbraw/zinc/20/33/86/893203386.db2.gz LLRXOCHGCXVARL-QGZVFWFLSA-N 2 1 413.522 4.121 20 5 HIBDMP CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480715014 896076437 /nfs/dbraw/zinc/07/64/37/896076437.db2.gz RTRVKVPHQUYQDX-XMMPIXPASA-N 2 1 410.562 4.363 20 5 HIBDMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482709883 898310000 /nfs/dbraw/zinc/31/00/00/898310000.db2.gz UOFSKMJVGTZUHO-DLBZAZTESA-N 2 1 403.548 4.067 20 5 HIBDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)oc1C ZINC000482889372 898506508 /nfs/dbraw/zinc/50/65/08/898506508.db2.gz LTPOOEQELYHCSV-NRFANRHFSA-N 2 1 412.534 4.023 20 5 HIBDMP C[NH+](C)CCOc1cccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000490135205 903784424 /nfs/dbraw/zinc/78/44/24/903784424.db2.gz FYLZXYIQNAYHAV-DEOSSOPVSA-N 2 1 405.498 4.414 20 5 HIBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000513824740 922149955 /nfs/dbraw/zinc/14/99/55/922149955.db2.gz PTNGGPPOXCFZOX-YUVXSKOASA-N 2 1 403.567 4.033 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000533347544 931844338 /nfs/dbraw/zinc/84/43/38/931844338.db2.gz MXTQZVIDMLROLZ-PZJWPPBQSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000533347544 931844340 /nfs/dbraw/zinc/84/43/40/931844340.db2.gz MXTQZVIDMLROLZ-PZJWPPBQSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000533347544 931844343 /nfs/dbraw/zinc/84/43/43/931844343.db2.gz MXTQZVIDMLROLZ-PZJWPPBQSA-N 2 1 424.545 4.217 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000533347544 931844344 /nfs/dbraw/zinc/84/43/44/931844344.db2.gz MXTQZVIDMLROLZ-PZJWPPBQSA-N 2 1 424.545 4.217 20 5 HIBDMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000540982699 939424831 /nfs/dbraw/zinc/42/48/31/939424831.db2.gz FIJIBQWUZGTZPC-CYBMUJFWSA-N 2 1 408.296 4.001 20 5 HIBDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000540982699 939424833 /nfs/dbraw/zinc/42/48/33/939424833.db2.gz FIJIBQWUZGTZPC-CYBMUJFWSA-N 2 1 408.296 4.001 20 5 HIBDMP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)c2c1 ZINC000570005235 947069766 /nfs/dbraw/zinc/06/97/66/947069766.db2.gz OMDWKLJOFALFBQ-ZFJSRUIDSA-N 2 1 404.514 4.119 20 5 HIBDMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000447585186 871493080 /nfs/dbraw/zinc/49/30/80/871493080.db2.gz JEAMNGPNKYYLMK-ZDFPQIBNSA-N 2 1 411.550 4.165 20 5 HIBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000504905415 913638579 /nfs/dbraw/zinc/63/85/79/913638579.db2.gz IFVLBVQINFOIGW-KRWDZBQOSA-N 2 1 400.548 4.428 20 5 HIBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478036531 893167695 /nfs/dbraw/zinc/16/76/95/893167695.db2.gz LLNTXUMNRMSVDI-IBGZPJMESA-N 2 1 416.566 4.208 20 5 HIBDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000510256211 918789587 /nfs/dbraw/zinc/78/95/87/918789587.db2.gz BJJBNOHQXYFNCY-MRXNPFEDSA-N 2 1 401.511 4.150 20 5 HIBDMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000513832148 922159770 /nfs/dbraw/zinc/15/97/70/922159770.db2.gz DMZQDDHFKDOPMP-SIKLNZKXSA-N 2 1 415.578 4.319 20 5 HIBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000541952539 939660815 /nfs/dbraw/zinc/66/08/15/939660815.db2.gz QHEYNBHXDMAZJQ-HZPDHXFCSA-N 2 1 407.474 4.075 20 5 HIBDMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000447535286 871400104 /nfs/dbraw/zinc/40/01/04/871400104.db2.gz DZJZHMRBGQKKNR-VIPLHTEESA-N 2 1 403.552 4.009 20 5 HIBDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000447535286 871400144 /nfs/dbraw/zinc/40/01/44/871400144.db2.gz DZJZHMRBGQKKNR-VIPLHTEESA-N 2 1 403.552 4.009 20 5 HIBDMP CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000504911115 913644386 /nfs/dbraw/zinc/64/43/86/913644386.db2.gz AOZIVSWWPUMHAW-ZWKOTPCHSA-N 2 1 413.518 4.065 20 5 HIBDMP CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000504911115 913644395 /nfs/dbraw/zinc/64/43/95/913644395.db2.gz AOZIVSWWPUMHAW-ZWKOTPCHSA-N 2 1 413.518 4.065 20 5 HIBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481175114 896509646 /nfs/dbraw/zinc/50/96/46/896509646.db2.gz LWLICZOTMVNXMR-AVRDEDQJSA-N 2 1 420.513 4.293 20 5 HIBDMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000481911953 897294183 /nfs/dbraw/zinc/29/41/83/897294183.db2.gz UJGXMNUSFKOYFK-INIZCTEOSA-N 2 1 403.548 4.475 20 5 HIBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000513824739 922149990 /nfs/dbraw/zinc/14/99/90/922149990.db2.gz PTNGGPPOXCFZOX-XMGTWHOFSA-N 2 1 403.567 4.033 20 5 HIBDMP Cc1c(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000515756608 923329406 /nfs/dbraw/zinc/32/94/06/923329406.db2.gz OTRPQBGVOBRMOA-IEBWSBKVSA-N 2 1 424.545 4.394 20 5 HIBDMP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000537323679 933716742 /nfs/dbraw/zinc/71/67/42/933716742.db2.gz LHABWKOOTVYQMD-PGRDOPGGSA-N 2 1 419.529 4.138 20 5 HIBDMP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000537323679 933716746 /nfs/dbraw/zinc/71/67/46/933716746.db2.gz LHABWKOOTVYQMD-PGRDOPGGSA-N 2 1 419.529 4.138 20 5 HIBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540140077 939088122 /nfs/dbraw/zinc/08/81/22/939088122.db2.gz AMCTZOZUFNOKBF-SFHLNBCPSA-N 2 1 424.545 4.202 20 5 HIBDMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000542945938 939883722 /nfs/dbraw/zinc/88/37/22/939883722.db2.gz ZVAGRIQMFROFSM-SFHVURJKSA-N 2 1 404.555 4.064 20 5 HIBDMP CC1CC[NH+](C2CCC([NH2+][C@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000556887505 942952099 /nfs/dbraw/zinc/95/20/99/942952099.db2.gz YNPXXPMGRLFJNP-AOMIVXANSA-N 2 1 411.550 4.050 20 5 HIBDMP COc1cc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000573767627 948293806 /nfs/dbraw/zinc/29/38/06/948293806.db2.gz WHPMUBSYKMOEFI-IBGZPJMESA-N 2 1 413.518 4.004 20 5 HIBDMP