smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](NC(=O)CNC(=O)CN)c1cccc([N+](=O)[O-])c1 ZINC000125106823 187169982 /nfs/dbraw/zinc/16/99/82/187169982.db2.gz VQYPNSMRXSOTNG-LLVKDONJSA-N 0 1 294.311 0.237 20 5 CCBDMN CC[C@@H]1CN(CC)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000450833771 529389577 /nfs/dbraw/zinc/38/95/77/529389577.db2.gz TZHHWTWVGNXLNL-SECBINFHSA-N 0 1 280.332 0.718 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCN(C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000192909569 529465952 /nfs/dbraw/zinc/46/59/52/529465952.db2.gz RDFPRTHGBSKYNA-ZETCQYMHSA-N 0 1 295.299 0.183 20 5 CCBDMN CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000101956109 349672275 /nfs/dbraw/zinc/67/22/75/349672275.db2.gz KOADJFPTLSXKHZ-UHFFFAOYSA-N 0 1 282.300 0.765 20 5 CCBDMN CC(C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000101956109 349672277 /nfs/dbraw/zinc/67/22/77/349672277.db2.gz KOADJFPTLSXKHZ-UHFFFAOYSA-N 0 1 282.300 0.765 20 5 CCBDMN O=[N+]([O-])c1cc(CNC[C@@H]2COCCN2)cs1 ZINC000600678525 362032644 /nfs/dbraw/zinc/03/26/44/362032644.db2.gz SDOGHPMMFAVEIO-SECBINFHSA-N 0 1 257.315 0.734 20 5 CCBDMN Cc1cc(C(=O)NCCN2CC[C@H](O)C2)cc([N+](=O)[O-])c1 ZINC000600806804 362064286 /nfs/dbraw/zinc/06/42/86/362064286.db2.gz GQYWISGDKIJPEA-ZDUSSCGKSA-N 0 1 293.323 0.700 20 5 CCBDMN O=[N+]([O-])c1cccc(CN[C@@H]2COCC[C@H]2O)c1 ZINC000601160102 362162520 /nfs/dbraw/zinc/16/25/20/362162520.db2.gz SGOYSDXPXHBBTJ-VXGBXAGGSA-N 0 1 252.270 0.834 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CC(N2CCCC2)C1 ZINC000601193577 362172786 /nfs/dbraw/zinc/17/27/86/362172786.db2.gz LFKFVDMFRGADDH-UHFFFAOYSA-N 0 1 251.290 0.613 20 5 CCBDMN CC(C)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000115294414 349851899 /nfs/dbraw/zinc/85/18/99/349851899.db2.gz QAXOFSTVJPNXRT-UHFFFAOYSA-N 0 1 251.290 0.915 20 5 CCBDMN CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCCN(C)C1=O ZINC000601969911 362443187 /nfs/dbraw/zinc/44/31/87/362443187.db2.gz MRHVHWLZDQJBFJ-NSHDSACASA-N 0 1 295.343 0.734 20 5 CCBDMN CC(C)[C@H]1CNCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000602529687 362660086 /nfs/dbraw/zinc/66/00/86/362660086.db2.gz QRBUSLXXWPZJFF-LLVKDONJSA-N 0 1 281.316 0.248 20 5 CCBDMN CC[C@@H]1[C@H](CO)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602679181 362744920 /nfs/dbraw/zinc/74/49/20/362744920.db2.gz OZGAXJLLTMGQIR-GXSJLCMTSA-N 0 1 268.317 0.921 20 5 CCBDMN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000602706863 362761957 /nfs/dbraw/zinc/76/19/57/362761957.db2.gz GQWPXDOTGLGWQH-JZYVYDRUSA-N 0 1 268.317 0.777 20 5 CCBDMN CC(=O)NC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602767111 362790541 /nfs/dbraw/zinc/79/05/41/362790541.db2.gz VYUJJOOQVHBXEC-UHFFFAOYSA-N 0 1 295.343 0.700 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](n2cncn2)C1 ZINC000602819638 362818590 /nfs/dbraw/zinc/81/85/90/362818590.db2.gz QUFDRPPCHKGKEW-LLVKDONJSA-N 0 1 291.315 0.638 20 5 CCBDMN CC[C@H](C)N(CCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602825415 362821880 /nfs/dbraw/zinc/82/18/80/362821880.db2.gz AFONCRHAFGGRJZ-VIFPVBQESA-N 0 1 256.306 0.921 20 5 CCBDMN CSC[C@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343549145 137141676 /nfs/dbraw/zinc/14/16/76/137141676.db2.gz RKYCCZKBBNEGLE-SECBINFHSA-N 0 1 274.302 0.162 20 5 CCBDMN CCC[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1nn[nH]n1 ZINC000343718822 137151732 /nfs/dbraw/zinc/15/17/32/137151732.db2.gz FDUMGBYXYOPGLW-ZETCQYMHSA-N 0 1 279.260 0.707 20 5 CCBDMN CCC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000343397544 137132308 /nfs/dbraw/zinc/13/23/08/137132308.db2.gz DHRUGVVQUICWOB-SNVBAGLBSA-N 0 1 281.268 0.684 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1cnc[nH]1 ZINC000602884545 362862637 /nfs/dbraw/zinc/86/26/37/362862637.db2.gz NZXGJIVXUQEVHS-UHFFFAOYSA-N 0 1 264.289 0.955 20 5 CCBDMN C[C@]1(CO)C[C@H](O)CN1Cc1ccccc1[N+](=O)[O-] ZINC000602900299 362874239 /nfs/dbraw/zinc/87/42/39/362874239.db2.gz SVNYRDRPPIUCHX-WCQYABFASA-N 0 1 266.297 0.912 20 5 CCBDMN COc1ccc(CN2CC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000048027060 348397565 /nfs/dbraw/zinc/39/75/65/348397565.db2.gz XMUYGNAIBMVBNK-SNVBAGLBSA-N 0 1 279.296 0.911 20 5 CCBDMN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC000050015978 348463584 /nfs/dbraw/zinc/46/35/84/348463584.db2.gz XPFYUAXCONHIIP-NSHDSACASA-N 0 1 265.269 0.199 20 5 CCBDMN COc1cc(CNC[C@@H]2CCC(=O)N2)c([N+](=O)[O-])cc1O ZINC000076759220 349091515 /nfs/dbraw/zinc/09/15/15/349091515.db2.gz LFPKXAJQMZAMGY-VIFPVBQESA-N 0 1 295.295 0.677 20 5 CCBDMN CCOCCN(C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000089460735 179796093 /nfs/dbraw/zinc/79/60/93/179796093.db2.gz BSCAMLIUGSSBDR-UHFFFAOYSA-N 0 1 270.289 0.989 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1NCCCc1nc[nH]n1 ZINC000080588317 349220866 /nfs/dbraw/zinc/22/08/66/349220866.db2.gz RYVMENNHCZMHKE-UHFFFAOYSA-N 0 1 251.250 0.491 20 5 CCBDMN Cc1nn(C)c(NCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000080590159 349221094 /nfs/dbraw/zinc/22/10/94/349221094.db2.gz AWITWVBVHSCVIR-UHFFFAOYSA-N 0 1 251.250 0.409 20 5 CCBDMN Cc1cc(NC[C@@H]2CN(C)CCN2C)ncc1[N+](=O)[O-] ZINC000081275311 349254115 /nfs/dbraw/zinc/25/41/15/349254115.db2.gz VMPICUQXXJUVEQ-LLVKDONJSA-N 0 1 279.344 0.956 20 5 CCBDMN C[C@H]1C[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000271285790 191050313 /nfs/dbraw/zinc/05/03/13/191050313.db2.gz DDLJXEGQFDBWNH-JGVFFNPUSA-N 0 1 268.273 0.863 20 5 CCBDMN COC[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000159698729 350684735 /nfs/dbraw/zinc/68/47/35/350684735.db2.gz WBWCDDDNOJEHOF-SNVBAGLBSA-N 0 1 253.258 0.185 20 5 CCBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[N@H+](C)C1CC1 ZINC000170809882 350863851 /nfs/dbraw/zinc/86/38/51/350863851.db2.gz DJILLELVJADZKC-MRVPVSSYSA-N 0 1 294.311 0.908 20 5 CCBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[N@@H+](C)C1CC1 ZINC000170809882 350863854 /nfs/dbraw/zinc/86/38/54/350863854.db2.gz DJILLELVJADZKC-MRVPVSSYSA-N 0 1 294.311 0.908 20 5 CCBDMN CNC(=O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174857243 351107487 /nfs/dbraw/zinc/10/74/87/351107487.db2.gz LPYMWWSDHPINCL-SNVBAGLBSA-N 0 1 281.316 0.249 20 5 CCBDMN CCCCN(CC(N)=O)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000195421380 351912046 /nfs/dbraw/zinc/91/20/46/351912046.db2.gz BTJLGHZUEOJDAZ-UHFFFAOYSA-N 0 1 297.315 0.608 20 5 CCBDMN C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCN1 ZINC000237602976 352273701 /nfs/dbraw/zinc/27/37/01/352273701.db2.gz MQMSJSLDGGWILS-JTQLQIEISA-N 0 1 279.296 0.794 20 5 CCBDMN CC1(C)[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000245912026 352341596 /nfs/dbraw/zinc/34/15/96/352341596.db2.gz VSRHTLUNFGRLRB-WQGWLQIFSA-N 0 1 280.284 0.861 20 5 CCBDMN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1O ZINC000249147474 352480020 /nfs/dbraw/zinc/48/00/20/352480020.db2.gz UTZRKHDFCXQHRG-TVQRCGJNSA-N 0 1 293.323 0.896 20 5 CCBDMN CN1CC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272538886 353072470 /nfs/dbraw/zinc/07/24/70/353072470.db2.gz BSJBPEUWDZRLDQ-PSASIEDQSA-N 0 1 279.300 0.484 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN[C@H](C)C1 ZINC000155042823 188178449 /nfs/dbraw/zinc/17/84/49/188178449.db2.gz QGEKNWYACWDKPU-SECBINFHSA-N 0 1 281.316 0.310 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN[C@@H](C)C1 ZINC000155042931 188178640 /nfs/dbraw/zinc/17/86/40/188178640.db2.gz QGEKNWYACWDKPU-VIFPVBQESA-N 0 1 281.316 0.310 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)NCCN1CC=CCC1 ZINC000280261086 353350905 /nfs/dbraw/zinc/35/09/05/353350905.db2.gz ONIRBNMZDKXGAO-UHFFFAOYSA-N 0 1 279.300 0.169 20 5 CCBDMN C[C@@H]1COCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000286699939 353604585 /nfs/dbraw/zinc/60/45/85/353604585.db2.gz DCLQRENNWUCRJE-SFYZADRCSA-N 0 1 268.273 0.720 20 5 CCBDMN C[C@H]1COCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000286699942 353604691 /nfs/dbraw/zinc/60/46/91/353604691.db2.gz DCLQRENNWUCRJE-YUMQZZPRSA-N 0 1 268.273 0.720 20 5 CCBDMN C[C@H](O)CN(CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000289905021 353693029 /nfs/dbraw/zinc/69/30/29/353693029.db2.gz SSSHPTJZKIRJFZ-VIFPVBQESA-N 0 1 272.276 0.909 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000290882350 353756010 /nfs/dbraw/zinc/75/60/10/353756010.db2.gz CBWUEQMRNISZLO-SSDOTTSWSA-N 0 1 294.271 0.389 20 5 CCBDMN CC[C@@H](C)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000296018631 353927576 /nfs/dbraw/zinc/92/75/76/353927576.db2.gz OAPMGFOGJFFXFP-SECBINFHSA-N 0 1 280.332 0.888 20 5 CCBDMN CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000304301439 354111599 /nfs/dbraw/zinc/11/15/99/354111599.db2.gz HZUPMZLYDCKRFR-KGYLQXTDSA-N 0 1 298.343 0.652 20 5 CCBDMN Cc1ccc(CN[C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000323279630 354230216 /nfs/dbraw/zinc/23/02/16/354230216.db2.gz LBOCFJYSXWZFTN-PWSUYJOCSA-N 0 1 252.270 0.753 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN1CCN(CC(C)(C)O)CC1 ZINC000331060592 354433392 /nfs/dbraw/zinc/43/33/92/354433392.db2.gz NPDITUVJMADBRG-UHFFFAOYSA-N 0 1 297.359 0.217 20 5 CCBDMN O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000331485930 354588471 /nfs/dbraw/zinc/58/84/71/354588471.db2.gz KBDDXTZPULJKOL-QMMMGPOBSA-N 0 1 292.295 0.662 20 5 CCBDMN O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000331485930 354588474 /nfs/dbraw/zinc/58/84/74/354588474.db2.gz KBDDXTZPULJKOL-QMMMGPOBSA-N 0 1 292.295 0.662 20 5 CCBDMN C[C@H]1C(=O)NCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000332209613 354629158 /nfs/dbraw/zinc/62/91/58/354629158.db2.gz GDXRTRGRWAZEJU-QMMMGPOBSA-N 0 1 293.279 0.651 20 5 CCBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nn[nH]n2)c1 ZINC000338569993 355369445 /nfs/dbraw/zinc/36/94/45/355369445.db2.gz BFPSGWDCAQNYNN-UHFFFAOYSA-N 0 1 278.228 0.759 20 5 CCBDMN CCN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1=O ZINC000339089150 355485550 /nfs/dbraw/zinc/48/55/50/355485550.db2.gz LWXZVLFCEABJND-UHFFFAOYSA-N 0 1 279.296 0.965 20 5 CCBDMN Nc1c(C(=O)NC2(c3nn[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000348293004 355906360 /nfs/dbraw/zinc/90/63/60/355906360.db2.gz MIPQEKOPNRWHGH-UHFFFAOYSA-N 0 1 289.255 0.109 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000353703026 356276997 /nfs/dbraw/zinc/27/69/97/356276997.db2.gz ABQFABDCYYXWQH-UHFFFAOYSA-N 0 1 293.287 0.303 20 5 CCBDMN CC[C@@H](CO)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000361181062 138024193 /nfs/dbraw/zinc/02/41/93/138024193.db2.gz WKALOHMTJIMYSO-NSHDSACASA-N 0 1 280.328 0.883 20 5 CCBDMN CCO[C@@H]1COCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000362016315 138042296 /nfs/dbraw/zinc/04/22/96/138042296.db2.gz ACOCWHBUWRDSLF-GXSJLCMTSA-N 0 1 284.316 0.612 20 5 CCBDMN NC(=O)c1[nH]nnc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000362411518 138058566 /nfs/dbraw/zinc/05/85/66/138058566.db2.gz POQQUDXFWVYWQS-UHFFFAOYSA-N 0 1 282.241 0.126 20 5 CCBDMN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1nc(C2CCC2)n[nH]1 ZINC000354340045 356394211 /nfs/dbraw/zinc/39/42/11/356394211.db2.gz IVEZMUUFQZMWBJ-UHFFFAOYSA-N 0 1 292.259 0.211 20 5 CCBDMN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1n[nH]c(C2CCC2)n1 ZINC000354340045 356394213 /nfs/dbraw/zinc/39/42/13/356394213.db2.gz IVEZMUUFQZMWBJ-UHFFFAOYSA-N 0 1 292.259 0.211 20 5 CCBDMN CC(C)(NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1nn[nH]n1 ZINC000354809850 356503651 /nfs/dbraw/zinc/50/36/51/356503651.db2.gz ZOKBRDZDRJJIPU-UHFFFAOYSA-N 0 1 265.233 0.101 20 5 CCBDMN C[C@@H](Cn1cccn1)NCc1c([N+](=O)[O-])ncn1C ZINC000355936447 356672326 /nfs/dbraw/zinc/67/23/26/356672326.db2.gz IUIDFAONMYEZQE-VIFPVBQESA-N 0 1 264.289 0.703 20 5 CCBDMN Cc1n[nH]c(C(=O)N[C@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC000355880340 356664741 /nfs/dbraw/zinc/66/47/41/356664741.db2.gz MZPRQNHADDGSBA-RXMQYKEDSA-N 0 1 265.233 0.235 20 5 CCBDMN O=C(NCc1c[nH]nn1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000610488585 363566505 /nfs/dbraw/zinc/56/65/05/363566505.db2.gz FMSZTKXFSGKVME-UHFFFAOYSA-N 0 1 287.239 0.519 20 5 CCBDMN C[C@@H](CC(N)=O)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000359720108 356879229 /nfs/dbraw/zinc/87/92/29/356879229.db2.gz RUKMZSOZRBFCLV-LURJTMIESA-N 0 1 291.267 0.465 20 5 CCBDMN COCC[C@H](COC)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000359517329 356836804 /nfs/dbraw/zinc/83/68/04/356836804.db2.gz NOGDFIAUPBNQFH-SSDOTTSWSA-N 0 1 272.261 0.099 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](N2CCCCC2=O)C1 ZINC000370984701 357363638 /nfs/dbraw/zinc/36/36/38/357363638.db2.gz ITWGHMGLEORXMD-QJPTWQEYSA-N 0 1 295.339 0.655 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C[C@H](O)C2CC2)c1[N+](=O)[O-] ZINC000610670022 363594465 /nfs/dbraw/zinc/59/44/65/363594465.db2.gz XYIATKDHJCUPJY-QMMMGPOBSA-N 0 1 268.273 0.469 20 5 CCBDMN CCc1nc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])n[nH]1 ZINC000580901672 359107461 /nfs/dbraw/zinc/10/74/61/359107461.db2.gz AZDNLZQSNZUMSO-UHFFFAOYSA-N 0 1 291.271 0.013 20 5 CCBDMN CN1CCCC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000610889678 363627820 /nfs/dbraw/zinc/62/78/20/363627820.db2.gz HYRCEWZVGMGWGV-LLVKDONJSA-N 0 1 281.316 0.392 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](O)C[C@H](O)C2)c1[N+](=O)[O-] ZINC000610923999 363631348 /nfs/dbraw/zinc/63/13/48/363631348.db2.gz MZUCAXVGZNFRJL-OCAPTIKFSA-N 0 1 298.299 0.009 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCc3c[nH]nc3C2)n1 ZINC000611008665 363648328 /nfs/dbraw/zinc/64/83/28/363648328.db2.gz GGGCUNNZELSYOJ-UHFFFAOYSA-N 0 1 262.273 0.573 20 5 CCBDMN O=C(N[C@@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000590372101 359445160 /nfs/dbraw/zinc/44/51/60/359445160.db2.gz VXHQZHIYIORBCS-SNVBAGLBSA-N 0 1 294.311 0.176 20 5 CCBDMN CC[C@H]1CN(C)CCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000590522895 359480355 /nfs/dbraw/zinc/48/03/55/359480355.db2.gz FFOQKJKWZVWNEF-NSHDSACASA-N 0 1 295.343 0.652 20 5 CCBDMN C[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])[C@H](C)CO ZINC000594759491 360377154 /nfs/dbraw/zinc/37/71/54/360377154.db2.gz OLSAAXXBCZTIGF-HTQZYQBOSA-N 0 1 289.313 0.285 20 5 CCBDMN CCC[C@@H](O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760199 360377742 /nfs/dbraw/zinc/37/77/42/360377742.db2.gz ROQLFFQJVPCGOQ-MRVPVSSYSA-N 0 1 289.313 0.429 20 5 CCBDMN CN(CC1CN(C)C1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000596454887 360900584 /nfs/dbraw/zinc/90/05/84/360900584.db2.gz XEUUNFARDAWFPE-UHFFFAOYSA-N 0 1 278.312 0.692 20 5 CCBDMN CN1CCC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000611598794 363750156 /nfs/dbraw/zinc/75/01/56/363750156.db2.gz ADASUWKJLAMWHZ-SECBINFHSA-N 0 1 279.300 0.627 20 5 CCBDMN COC(=O)[C@@](C)(CCF)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598286413 361376453 /nfs/dbraw/zinc/37/64/53/361376453.db2.gz QUPQMYMGENKCLP-SNVBAGLBSA-N 0 1 288.235 0.339 20 5 CCBDMN O=C(NC[C@@H]1CCC(=O)N1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598299172 361384065 /nfs/dbraw/zinc/38/40/65/361384065.db2.gz FOUZHQFBDMZFED-QMMMGPOBSA-N 0 1 279.252 0.309 20 5 CCBDMN CC(C)[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598574781 361447172 /nfs/dbraw/zinc/44/71/72/361447172.db2.gz UAHGBUVTNUEKAD-SNVBAGLBSA-N 0 1 294.311 0.765 20 5 CCBDMN COc1ccc(CN[C@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000184184322 189378931 /nfs/dbraw/zinc/37/89/31/189378931.db2.gz GWHYIZGEJXZBAX-ZDUSSCGKSA-N 0 1 282.296 0.844 20 5 CCBDMN CCCC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC000184261044 189381297 /nfs/dbraw/zinc/38/12/97/189381297.db2.gz GNPVTBQQMHFOEH-ZETCQYMHSA-N 0 1 284.272 0.780 20 5 CCBDMN CC[C@@H]1C[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599298431 361641169 /nfs/dbraw/zinc/64/11/69/361641169.db2.gz XJEDVKUGIPAYDD-RNFRBKRXSA-N 0 1 274.302 0.405 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC(C)(F)F)n1 ZINC000599315288 361648566 /nfs/dbraw/zinc/64/85/66/361648566.db2.gz IBPGPOHDEITXIE-UHFFFAOYSA-N 0 1 298.271 0.652 20 5 CCBDMN CO[C@@H]1CCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000342548272 216393631 /nfs/dbraw/zinc/39/36/31/216393631.db2.gz SKNABWBNUVMMKC-VXNVDRBHSA-N 0 1 268.273 0.863 20 5 CCBDMN C[N@H+](CC(=O)[O-])C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000565107148 291345076 /nfs/dbraw/zinc/34/50/76/291345076.db2.gz OFIGZTAQEDBJAB-VIFPVBQESA-N 0 1 284.268 0.351 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000275839059 193143396 /nfs/dbraw/zinc/14/33/96/193143396.db2.gz LQFPKTRGJCCUFN-MRVPVSSYSA-N 0 1 282.300 0.859 20 5 CCBDMN COC[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000275890854 193156219 /nfs/dbraw/zinc/15/62/19/193156219.db2.gz CBGAXOUTBFPILR-IONNQARKSA-N 0 1 298.299 0.502 20 5 CCBDMN NC(=O)[C@@]1(O)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000276497216 193357094 /nfs/dbraw/zinc/35/70/94/193357094.db2.gz WXYLSVWEJJCJBO-GFCCVEGCSA-N 0 1 265.269 0.017 20 5 CCBDMN CCOC(=O)CN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CC1 ZINC000264298338 190102207 /nfs/dbraw/zinc/10/22/07/190102207.db2.gz YLHFKGSNKZZDEX-UHFFFAOYSA-N 0 1 296.283 0.794 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)Cc2nccn2C)c1[N+](=O)[O-] ZINC000265143179 190160855 /nfs/dbraw/zinc/16/08/55/190160855.db2.gz JPXCYYOZHNKMMQ-UHFFFAOYSA-N 0 1 292.299 0.886 20 5 CCBDMN CO[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C(=O)[O-])C1 ZINC000515672874 249143059 /nfs/dbraw/zinc/14/30/59/249143059.db2.gz KYVZKZUYMPIMCU-ZJUUUORDSA-N 0 1 298.299 0.355 20 5 CCBDMN Cc1n[nH]c(C(=O)N(C)[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000266001899 190222546 /nfs/dbraw/zinc/22/25/46/190222546.db2.gz SLLZVFQIOXXURM-VIFPVBQESA-N 0 1 281.316 0.793 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1Cn1nnnc1CN ZINC000569598887 291692408 /nfs/dbraw/zinc/69/24/08/291692408.db2.gz DOOGKKWPRDKQDW-UHFFFAOYSA-N 0 1 264.245 0.097 20 5 CCBDMN O=C(CNc1ccccc1[N+](=O)[O-])NCCc1nc[nH]n1 ZINC000268253328 190390422 /nfs/dbraw/zinc/39/04/22/190390422.db2.gz IAUBUSQDZAGJFZ-UHFFFAOYSA-N 0 1 290.283 0.484 20 5 CCBDMN COC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000279339830 194391354 /nfs/dbraw/zinc/39/13/54/194391354.db2.gz DTLUXSQKKHKBAH-VXNVDRBHSA-N 0 1 284.272 0.242 20 5 CCBDMN O=[N+]([O-])c1ccc(CN[C@@]2(CO)CCOC2)cc1 ZINC000184180195 285115698 /nfs/dbraw/zinc/11/56/98/285115698.db2.gz JIMZDXHFXJDUQS-GFCCVEGCSA-N 0 1 252.270 0.836 20 5 CCBDMN O=[N+]([O-])c1cnccc1NCCN1CCC(O)CC1 ZINC000322324165 285179875 /nfs/dbraw/zinc/17/98/75/285179875.db2.gz JDGPYPFQGXTZOB-UHFFFAOYSA-N 0 1 266.301 0.858 20 5 CCBDMN O=[N+]([O-])c1ccc(OCCN2C[C@@H](O)C[C@H]2CO)cc1 ZINC000186530361 388839913 /nfs/dbraw/zinc/83/99/13/388839913.db2.gz ARXXJKJDTBXYHJ-RYUDHWBXSA-N 0 1 282.296 0.401 20 5 CCBDMN CC[N@@H+]1CCC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186819985 388853584 /nfs/dbraw/zinc/85/35/84/388853584.db2.gz TXUMWMNQYSSXJS-JTQLQIEISA-N 0 1 294.311 0.910 20 5 CCBDMN CC[N@H+]1CCC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186819985 388853587 /nfs/dbraw/zinc/85/35/87/388853587.db2.gz TXUMWMNQYSSXJS-JTQLQIEISA-N 0 1 294.311 0.910 20 5 CCBDMN O=[N+]([O-])c1ccc(CCN2CCN(CCO)CC2)cc1 ZINC000048331270 388890158 /nfs/dbraw/zinc/89/01/58/388890158.db2.gz HFUSVVPOPOHGSU-UHFFFAOYSA-N 0 1 279.340 0.747 20 5 CCBDMN COC[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000083395043 389001676 /nfs/dbraw/zinc/00/16/76/389001676.db2.gz KDBQTAKIGJNDAQ-JTQLQIEISA-N 0 1 253.258 0.185 20 5 CCBDMN CC1(C)CN(c2ncc([N+](=O)[O-])cn2)CCN1CCO ZINC000302533274 389073072 /nfs/dbraw/zinc/07/30/72/389073072.db2.gz LYRMVOVBLMXPJP-UHFFFAOYSA-N 0 1 281.316 0.278 20 5 CCBDMN COCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000340961853 389170266 /nfs/dbraw/zinc/17/02/66/389170266.db2.gz FKSMCFIBWLPHAV-SNVBAGLBSA-N 0 1 296.327 0.384 20 5 CCBDMN O=C(NCc1ccccc1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000137755758 389271142 /nfs/dbraw/zinc/27/11/42/389271142.db2.gz XTSPHSHSZMEJNM-UHFFFAOYSA-N 0 1 276.252 0.740 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](C)N1 ZINC000153553994 389303232 /nfs/dbraw/zinc/30/32/32/389303232.db2.gz RUJXIMKPRNXBPL-DTORHVGOSA-N 0 1 278.312 0.999 20 5 CCBDMN C[C@H](CCO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000268838222 389393378 /nfs/dbraw/zinc/39/33/78/389393378.db2.gz MTAIQLYHLWXTDC-SSDOTTSWSA-N 0 1 278.268 0.972 20 5 CCBDMN C[N@H+]1CC[C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269169428 389405132 /nfs/dbraw/zinc/40/51/32/389405132.db2.gz GTORBWSNGSOLQL-VIFPVBQESA-N 0 1 279.296 0.982 20 5 CCBDMN CC(C)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000269204335 389407061 /nfs/dbraw/zinc/40/70/61/389407061.db2.gz SORAVJWUDPFRLB-SNVBAGLBSA-N 0 1 281.268 0.540 20 5 CCBDMN Cc1nnc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1C ZINC000269312157 389412857 /nfs/dbraw/zinc/41/28/57/389412857.db2.gz ZFKSCLXHIOBPPI-UHFFFAOYSA-N 0 1 291.267 0.667 20 5 CCBDMN O=C(NCCCOC[C@H]1CCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000159187144 389359808 /nfs/dbraw/zinc/35/98/08/389359808.db2.gz XOYHEORXGHUNMD-SECBINFHSA-N 0 1 298.299 0.633 20 5 CCBDMN Nc1c(C(=O)N2CCNCC2)cc(F)cc1[N+](=O)[O-] ZINC000159395845 389365295 /nfs/dbraw/zinc/36/52/95/389365295.db2.gz VEMGLOMQNJYRKQ-UHFFFAOYSA-N 0 1 268.248 0.362 20 5 CCBDMN CC(C)(C)[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000174249741 389517993 /nfs/dbraw/zinc/51/79/93/389517993.db2.gz HOHMJSAOIBJTDC-UHFFFAOYSA-N 0 1 282.300 0.813 20 5 CCBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](O)CO)c1 ZINC000276729054 389534794 /nfs/dbraw/zinc/53/47/94/389534794.db2.gz IUJMZJVFLWQCLG-VIFPVBQESA-N 0 1 292.238 0.639 20 5 CCBDMN C[C@@H](O)CN1CCN(c2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000277878760 389557370 /nfs/dbraw/zinc/55/73/70/389557370.db2.gz VUZMJORATGHSSP-NXEZZACHSA-N 0 1 283.332 0.220 20 5 CCBDMN COC(=O)[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000281890059 389632018 /nfs/dbraw/zinc/63/20/18/389632018.db2.gz SVUVZSWUTJFWKN-ZCFIWIBFSA-N 0 1 270.245 0.260 20 5 CCBDMN O=C(NCc1cnc2n1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000375269623 389656945 /nfs/dbraw/zinc/65/69/45/389656945.db2.gz QWCHPGPKNJIJSD-NXEZZACHSA-N 0 1 264.285 0.501 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000429407817 389755103 /nfs/dbraw/zinc/75/51/03/389755103.db2.gz KKKWRWNNZHTFDT-RNFRBKRXSA-N 0 1 267.289 0.449 20 5 CCBDMN Nc1cccc([N+](=O)[O-])c1C(=O)NC1(c2nn[nH]n2)CC1 ZINC000430311243 389795200 /nfs/dbraw/zinc/79/52/00/389795200.db2.gz HUURGLOOZGXJDY-UHFFFAOYSA-N 0 1 289.255 0.109 20 5 CCBDMN O=C(N[C@H](CO)c1ccsc1)c1n[nH]cc1[N+](=O)[O-] ZINC000352046621 389742044 /nfs/dbraw/zinc/74/20/44/389742044.db2.gz VAIUAUVIUAHQER-SSDOTTSWSA-N 0 1 282.281 0.843 20 5 CCBDMN CN(CC[NH+]1CCCC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445198782 389922679 /nfs/dbraw/zinc/92/26/79/389922679.db2.gz WSENVUKOAJBGPZ-UHFFFAOYSA-N 0 1 294.311 0.863 20 5 CCBDMN Nc1nc(N2CCc3cnccc32)ncc1[N+](=O)[O-] ZINC000487790612 390089941 /nfs/dbraw/zinc/08/99/41/390089941.db2.gz WMWYBAMYUFRNMP-UHFFFAOYSA-N 0 1 258.241 0.887 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCO[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000547928095 390408654 /nfs/dbraw/zinc/40/86/54/390408654.db2.gz CECUIYKJFCFHDD-VIFPVBQESA-N 0 1 280.284 0.877 20 5 CCBDMN CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000497262078 390445731 /nfs/dbraw/zinc/44/57/31/390445731.db2.gz HIYTWFYBBNSVMO-IVZWLZJFSA-N 0 1 285.300 0.389 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000520766136 390589829 /nfs/dbraw/zinc/58/98/29/390589829.db2.gz LIHVGEPPZPDHFL-SECBINFHSA-N 0 1 278.312 0.900 20 5 CCBDMN CC[C@H]1CN(C)CCN1c1c([N+](=O)[O-])ncn1C ZINC000521915341 390613821 /nfs/dbraw/zinc/61/38/21/390613821.db2.gz SLXOYKRNSTTYHZ-VIFPVBQESA-N 0 1 253.306 0.859 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCn3nncc3C2)c1[N+](=O)[O-] ZINC000567178246 390677988 /nfs/dbraw/zinc/67/79/88/390677988.db2.gz BUQNFCDDCAJFMD-UHFFFAOYSA-N 0 1 291.271 0.128 20 5 CCBDMN CNc1nccc(C(=O)NCc2cn[nH]c2C)c1[N+](=O)[O-] ZINC000571542102 390740875 /nfs/dbraw/zinc/74/08/75/390740875.db2.gz NFEGUTVJMHWVQY-UHFFFAOYSA-N 0 1 290.283 0.415 20 5 CCBDMN CN(C)C1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000342124354 130280476 /nfs/dbraw/zinc/28/04/76/130280476.db2.gz IFLSFHLAFWWUPU-UHFFFAOYSA-N 0 1 281.316 0.299 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000356844874 144037619 /nfs/dbraw/zinc/03/76/19/144037619.db2.gz INZQEEOKBMEXIM-NXEZZACHSA-N 0 1 295.343 0.651 20 5 CCBDMN O=C(N[C@H]1CCc2nc[nH]c2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000357976430 144139024 /nfs/dbraw/zinc/13/90/24/144139024.db2.gz RHWMFHDCPVSIHJ-ZETCQYMHSA-N 0 1 275.268 0.933 20 5 CCBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1nn[nH]n1 ZINC000044929548 411632980 /nfs/dbraw/zinc/63/29/80/411632980.db2.gz LCJFCHYKCSEKJD-UHFFFAOYSA-N 0 1 262.229 0.346 20 5 CCBDMN O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000317379564 260206538 /nfs/dbraw/zinc/20/65/38/260206538.db2.gz HIFWOLIHUPOQGN-YPMHNXCESA-N 0 1 266.297 0.422 20 5 CCBDMN Cc1c(CN2C[C@H](O)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000317447219 260228262 /nfs/dbraw/zinc/22/82/62/260228262.db2.gz NEKFWIFRJSSEIS-YPMHNXCESA-N 0 1 266.297 0.688 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000261997252 278837475 /nfs/dbraw/zinc/83/74/75/278837475.db2.gz OCPAZRNTHUHSCU-MRVPVSSYSA-N 0 1 264.285 0.611 20 5 CCBDMN C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330466929 290600364 /nfs/dbraw/zinc/60/03/64/290600364.db2.gz XFKWCUXWCRUMPJ-UFBFGSQYSA-N 0 1 279.296 0.915 20 5 CCBDMN O=C(NC1(c2nnc[nH]2)CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000582625182 329119344 /nfs/dbraw/zinc/11/93/44/329119344.db2.gz NLQXLYUHJDDVBA-UHFFFAOYSA-N 0 1 288.267 0.917 20 5 CCBDMN C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000577512843 335363127 /nfs/dbraw/zinc/36/31/27/335363127.db2.gz ZCZLUSZNLJSNFC-XVKPBYJWSA-N 0 1 280.284 0.423 20 5 CCBDMN CCn1ccnc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000385208544 336142192 /nfs/dbraw/zinc/14/21/92/336142192.db2.gz PFAVPVWQPGOKDX-LLVKDONJSA-N 0 1 294.315 0.158 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CN(C)CCN1C ZINC000068806414 525575934 /nfs/dbraw/zinc/57/59/34/525575934.db2.gz QPGTWRJYIIUEHB-GFCCVEGCSA-N 0 1 279.344 0.956 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCNC(=O)[C@H]1c1ccccc1 ZINC000365081161 526509415 /nfs/dbraw/zinc/50/94/15/526509415.db2.gz JBQIUQHAVXDXAM-IJLUTSLNSA-N 0 1 289.291 0.351 20 5 CCBDMN CCOC1(C)CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000452280489 528461303 /nfs/dbraw/zinc/46/13/03/528461303.db2.gz CUHPMSKWQULZQK-UHFFFAOYSA-N 0 1 268.273 0.877 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)O[C@H](CO)C2)c1[N+](=O)[O-] ZINC000349053763 536002626 /nfs/dbraw/zinc/00/26/26/536002626.db2.gz OHGDEQISFTVXLZ-YUMQZZPRSA-N 0 1 298.299 0.102 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CCCCNC2=O)c1[N+](=O)[O-] ZINC000729361631 581576881 /nfs/dbraw/zinc/57/68/81/581576881.db2.gz CXZKIJCGCQACMD-QMMMGPOBSA-N 0 1 295.299 0.367 20 5 CCBDMN Cc1nc(COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000770637987 581758770 /nfs/dbraw/zinc/75/87/70/581758770.db2.gz BNIOMPHBWUERCE-UHFFFAOYSA-N 0 1 294.271 0.696 20 5 CCBDMN O=C(N[C@@H]1CCCCC12OCCO2)c1n[nH]cc1[N+](=O)[O-] ZINC000764903099 582075893 /nfs/dbraw/zinc/07/58/93/582075893.db2.gz GVRWVKGWNFAHLC-SECBINFHSA-N 0 1 296.283 0.733 20 5 CCBDMN CC[C@](C)(CC(=O)OC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840380581 615944389 /nfs/dbraw/zinc/94/43/89/615944389.db2.gz AAOCKIRBIKLXEF-SOCHQFKDSA-N 0 1 258.274 0.500 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(=O)[O-] ZINC000828449708 601515787 /nfs/dbraw/zinc/51/57/87/601515787.db2.gz MXEKTQWOWCMYDC-PSASIEDQSA-N 0 1 268.273 0.444 20 5 CCBDMN Cc1cc(C)c([N+](=O)[O-])c(-n2cnc(-c3nn[nH]n3)n2)n1 ZINC000826263877 609383028 /nfs/dbraw/zinc/38/30/28/609383028.db2.gz UHQDLKXJCRGHEE-UHFFFAOYSA-N 0 1 287.243 0.367 20 5 CCBDMN CC(C)(C)CNC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000859720385 613917830 /nfs/dbraw/zinc/91/78/30/613917830.db2.gz LEEHOMPYWXITBS-HTQZYQBOSA-N 0 1 258.274 0.357 20 5 CCBDMN COc1cccc([C@H](O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839682127 617309891 /nfs/dbraw/zinc/30/98/91/617309891.db2.gz YTINKNITJWIWIE-IJLUTSLNSA-N 0 1 280.280 0.510 20 5 CCBDMN CC(C)(C)OC(=O)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839696843 613964642 /nfs/dbraw/zinc/96/46/42/613964642.db2.gz UVIICXMCNQYQNF-RKDXNWHRSA-N 0 1 272.301 0.890 20 5 CCBDMN CC(C)(C)C(=O)NCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842350367 614344672 /nfs/dbraw/zinc/34/46/72/614344672.db2.gz WWKATYAGPLJTSA-HTQZYQBOSA-N 0 1 258.274 0.357 20 5 CCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCC(C)CC1 ZINC000840672307 614431191 /nfs/dbraw/zinc/43/11/91/614431191.db2.gz HSWKRJKJFXKYDF-GMTAPVOTSA-N 0 1 284.312 0.842 20 5 CCBDMN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)C(=O)OC ZINC000888608095 614506033 /nfs/dbraw/zinc/50/60/33/614506033.db2.gz KNJQBYOXJJWRPO-IWSPIJDZSA-N 0 1 258.274 0.452 20 5 CCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCF)C1 ZINC000950055920 614651301 /nfs/dbraw/zinc/65/13/01/614651301.db2.gz QQICKOBBTJWNAX-GHMZBOCLSA-N 0 1 273.308 0.544 20 5 CCBDMN CC1(C)C[C@@H](O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839788078 614745717 /nfs/dbraw/zinc/74/57/17/614745717.db2.gz XAWBVLSBTYTVTO-IVZWLZJFSA-N 0 1 256.302 0.661 20 5 CCBDMN CCCC(=O)NC[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000798194331 614890106 /nfs/dbraw/zinc/89/01/06/614890106.db2.gz APABLOGOXGCZSQ-NSHDSACASA-N 0 1 257.334 0.891 20 5 CCBDMN CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840473483 615284603 /nfs/dbraw/zinc/28/46/03/615284603.db2.gz VQZPULQHFAKQJM-CHWFTXMASA-N 0 1 284.312 0.890 20 5 CCBDMN CCN1CC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819298900 615304592 /nfs/dbraw/zinc/30/45/92/615304592.db2.gz RDPXVZQGVSNNPM-STQMWFEESA-N 0 1 293.323 0.839 20 5 CCBDMN CCOC(=O)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)C(C)=O ZINC000842370892 615369314 /nfs/dbraw/zinc/36/93/14/615369314.db2.gz ABQIASCAUXGZDF-JZKKDOLYSA-N 0 1 287.268 0.352 20 5 CCBDMN C[NH+](C)CCO[N-]C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868629739 615907364 /nfs/dbraw/zinc/90/73/64/615907364.db2.gz RSWYQIHBKIXKPU-UHFFFAOYSA-N 0 1 285.275 0.886 20 5 CCBDMN CN(C)C(=O)NCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000842982606 615984270 /nfs/dbraw/zinc/98/42/70/615984270.db2.gz DECKZNUQQQFFQX-UHFFFAOYSA-N 0 1 270.245 0.351 20 5 CCBDMN CCn1cc([C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC000861092247 616012451 /nfs/dbraw/zinc/01/24/51/616012451.db2.gz QAEXGXWDAWFYQB-ZXFLCMHBSA-N 0 1 254.246 0.567 20 5 CCBDMN CN1c2ccccc2C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000855343794 616156714 /nfs/dbraw/zinc/15/67/14/616156714.db2.gz PXXTXQIJXSNVAM-JFGNBEQYSA-N 0 1 289.291 0.356 20 5 CCBDMN COC(=O)[C@@H]1CCN(CC[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000931263699 616306482 /nfs/dbraw/zinc/30/64/82/616306482.db2.gz UXENEYCTTPQLAE-AXFHLTTASA-N 0 1 256.302 0.927 20 5 CCBDMN CN1CC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819088808 616415623 /nfs/dbraw/zinc/41/56/23/616415623.db2.gz FSDVLLUZTDKCQK-RYUDHWBXSA-N 0 1 279.296 0.449 20 5 CCBDMN COC(=O)C[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839708302 616706767 /nfs/dbraw/zinc/70/67/67/616706767.db2.gz IVFNKNRUPJCRCM-IWSPIJDZSA-N 0 1 256.258 0.206 20 5 CCBDMN CNC(=O)[C@@]1(C)CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886186315 616835813 /nfs/dbraw/zinc/83/58/13/616835813.db2.gz VICYEYIBDUTOHJ-ZDUSSCGKSA-N 0 1 278.312 0.948 20 5 CCBDMN CNS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840241195 617038900 /nfs/dbraw/zinc/03/89/00/617038900.db2.gz LCOVHLHZJVJZEP-NXEZZACHSA-N 0 1 299.308 0.198 20 5 CCBDMN CO[C@]12CCC[C@@]1(NC(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000928059685 617141226 /nfs/dbraw/zinc/14/12/26/617141226.db2.gz FVCAJYYLWCSTTA-IQIPOGNMSA-N 0 1 270.285 0.454 20 5 CCBDMN O=C(NC[C@@]1(c2ccccc2)C[C@@H](O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000928127139 631689037 /nfs/dbraw/zinc/68/90/37/631689037.db2.gz UASNOYVBOCYPRE-RGCMKSIDSA-N 0 1 290.319 0.861 20 5 CCBDMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000163328124 632687888 /nfs/dbraw/zinc/68/78/88/632687888.db2.gz DNXHBKMIAHXNCN-QMMMGPOBSA-N 0 1 298.299 0.837 20 5 CCBDMN CC(C)(C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC000991289252 635853663 /nfs/dbraw/zinc/85/36/63/635853663.db2.gz XTZDKRAQPXJXHZ-GHMZBOCLSA-N 0 1 295.339 0.415 20 5 CCBDMN O=C(NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(F)F ZINC000946705542 639845538 /nfs/dbraw/zinc/84/55/38/639845538.db2.gz GHFGWBGHIJOYFC-HTQZYQBOSA-N 0 1 291.254 0.024 20 5 CCBDMN C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])[nH]2)CNC(=O)C1 ZINC000838999131 640287225 /nfs/dbraw/zinc/28/72/25/640287225.db2.gz YXSPTWDMTOGLKP-JTQLQIEISA-N 0 1 253.214 0.358 20 5 CCBDMN O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839585336 640345263 /nfs/dbraw/zinc/34/52/63/640345263.db2.gz QAOSMIRUMMOLSE-MVWJERBFSA-N 0 1 289.291 0.573 20 5 CCBDMN O=C(NC[C@H](O)Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839656527 640348281 /nfs/dbraw/zinc/34/82/81/640348281.db2.gz RGPXLDGKRBOZQX-IJLUTSLNSA-N 0 1 264.281 0.371 20 5 CCBDMN Cc1ccoc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839687906 640350329 /nfs/dbraw/zinc/35/03/29/640350329.db2.gz MXFFIXOSSVAVOS-NXEZZACHSA-N 0 1 295.295 0.489 20 5 CCBDMN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839684163 640355414 /nfs/dbraw/zinc/35/54/14/640355414.db2.gz HVHAWRJFFWZBIU-JFUSQASVSA-N 0 1 276.296 0.944 20 5 CCBDMN O=C(N[C@H]1CCCCC12OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000839711117 640356140 /nfs/dbraw/zinc/35/61/40/640356140.db2.gz YMNGVDBUZYJMSJ-BBBLOLIVSA-N 0 1 270.285 0.454 20 5 CCBDMN O=C(N[C@@H](CO)c1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839724334 640358622 /nfs/dbraw/zinc/35/86/22/640358622.db2.gz MZUBUHVOTKMDEN-OUAUKWLOSA-N 0 1 268.244 0.641 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000839750049 640360616 /nfs/dbraw/zinc/36/06/16/640360616.db2.gz HGLGNYJKKLWNNM-SKENRDBWSA-N 0 1 298.339 0.837 20 5 CCBDMN O=C(N[C@H](CCO)Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839758715 640362733 /nfs/dbraw/zinc/36/27/33/640362733.db2.gz XHQQRUAFZFDOIV-JHJVBQTASA-N 0 1 278.308 0.762 20 5 CCBDMN Cc1ccc(C[C@H](CO)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC000839790561 640365299 /nfs/dbraw/zinc/36/52/99/640365299.db2.gz CTMSZPAPBYUINW-MGPQQGTHSA-N 0 1 292.335 0.988 20 5 CCBDMN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000819058568 641377585 /nfs/dbraw/zinc/37/75/85/641377585.db2.gz MRGHFBZSVRKBHL-CABZTGNLSA-N 0 1 281.312 0.695 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000819566718 641420294 /nfs/dbraw/zinc/42/02/94/641420294.db2.gz FFTLAEQHHDFQLN-KVTDHHQDSA-N 0 1 256.180 0.080 20 5 CCBDMN C[C@H]1CN=C(NC(=O)c2n[nH]cc2[N+](=O)[O-])S1 ZINC000819775960 641431376 /nfs/dbraw/zinc/43/13/76/641431376.db2.gz JPJOYJNCYPFTHW-BYPYZUCNSA-N 0 1 255.259 0.539 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2ccccc2[C@H]1CO ZINC000840405373 641520701 /nfs/dbraw/zinc/52/07/01/641520701.db2.gz IYQVGLRQKQTHKK-JHJVBQTASA-N 0 1 276.292 0.770 20 5 CCBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ncnn1C ZINC000835611233 642668668 /nfs/dbraw/zinc/66/86/68/642668668.db2.gz IJFPAUFZOPCJGR-LURJTMIESA-N 0 1 265.229 0.969 20 5 CCBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1=NNC(=O)CC1 ZINC000837313027 642737191 /nfs/dbraw/zinc/73/71/91/642737191.db2.gz VTNOZYGUJUZVNN-UHFFFAOYSA-N 0 1 293.235 0.610 20 5 CCBDMN C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672365 642784449 /nfs/dbraw/zinc/78/44/49/642784449.db2.gz KBOTUHUUYBHYJT-CHWFTXMASA-N 0 1 284.312 0.890 20 5 CCBDMN O=C(OC1CCN(c2ccncn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842325448 642890937 /nfs/dbraw/zinc/89/09/37/642890937.db2.gz PKRFDBPINYZOFS-GHMZBOCLSA-N 0 1 292.295 0.654 20 5 CCBDMN C[C@H](CCn1cccn1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842328947 642892563 /nfs/dbraw/zinc/89/25/63/642892563.db2.gz KLKXOHSGQRATSY-OPRDCNLKSA-N 0 1 253.258 0.870 20 5 CCBDMN Nc1ccc(-c2noc([C@@H]3CNCCO3)n2)cc1[N+](=O)[O-] ZINC000843169448 643009339 /nfs/dbraw/zinc/00/93/39/643009339.db2.gz JFSXKUMCEIXLOZ-JTQLQIEISA-N 0 1 291.267 0.888 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844451255 643218371 /nfs/dbraw/zinc/21/83/71/643218371.db2.gz NSUXVVJHMLDYLQ-LPEHRKFASA-N 0 1 288.254 0.349 20 5 CCBDMN Cc1cncc(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000845738525 643341583 /nfs/dbraw/zinc/34/15/83/643341583.db2.gz SRRLZPHOMQODGH-NXEZZACHSA-N 0 1 251.242 0.536 20 5 CCBDMN COc1cnccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000848376919 643630696 /nfs/dbraw/zinc/63/06/96/643630696.db2.gz PTMASLDBUZGSBZ-RKDXNWHRSA-N 0 1 251.242 0.372 20 5 CCBDMN Cn1cc([C@@H]2OCC[C@H]2COC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000851269925 643837458 /nfs/dbraw/zinc/83/74/58/643837458.db2.gz JOQFTVJCESUZHM-JTLRNRKASA-N 0 1 295.295 0.706 20 5 CCBDMN C[C@H](C(=O)[O-])[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000851706583 643874202 /nfs/dbraw/zinc/87/42/02/643874202.db2.gz QWQZFHZPQLVVQE-KCJUWKMLSA-N 0 1 298.299 0.090 20 5 CCBDMN O=C1CCC2=C(CCN(CCn3ccc([N+](=O)[O-])n3)C2)N1 ZINC000852299403 643950496 /nfs/dbraw/zinc/95/04/96/643950496.db2.gz RKGSAYZQXICKBI-UHFFFAOYSA-N 0 1 291.311 0.661 20 5 CCBDMN Cn1cc(C[C@H]2CCC[C@H]2NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000855871259 644370229 /nfs/dbraw/zinc/37/02/29/644370229.db2.gz WCQBMPRJYJDKDY-FDYHWXHSSA-N 0 1 292.339 0.913 20 5 CCBDMN C[C@@H]1CC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000859123041 644669407 /nfs/dbraw/zinc/66/94/07/644669407.db2.gz MCMHJZVDLWPEHR-HTQZYQBOSA-N 0 1 288.329 0.795 20 5 CCBDMN C[C@@H](NCCn1cnnn1)c1ccccc1[N+](=O)[O-] ZINC000878372673 646900148 /nfs/dbraw/zinc/90/01/48/646900148.db2.gz FWLSRSSQIYZVDO-SECBINFHSA-N 0 1 262.273 0.932 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC=C[C@H]2CO)cc1 ZINC000880489705 647211580 /nfs/dbraw/zinc/21/15/80/647211580.db2.gz XFYFLGLIQTZFQG-QWHCGFSZSA-N 0 1 264.281 0.861 20 5 CCBDMN O=[N+]([O-])c1cnn(CN2CCN(C3CC3)CC2)c1 ZINC000129071809 647324805 /nfs/dbraw/zinc/32/48/05/647324805.db2.gz KOWIDQZRUBPGRD-UHFFFAOYSA-N 0 1 251.290 0.529 20 5 CCBDMN Cn1ccc([C@@H]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000928200110 648621619 /nfs/dbraw/zinc/62/16/19/648621619.db2.gz FSDXRINYVFQEHI-CKYFFXLPSA-N 0 1 278.312 0.791 20 5 CCBDMN O=[N+]([O-])CCN[C@@H](CN1CCOCC1)c1ccccc1 ZINC000930188624 648835951 /nfs/dbraw/zinc/83/59/51/648835951.db2.gz YGPRMEUGXZUEPD-AWEZNQCLSA-N 0 1 279.340 0.926 20 5 CCBDMN O=[N+]([O-])c1cc(CNC(CO)CO)ccc1Cl ZINC000097604761 649839526 /nfs/dbraw/zinc/83/95/26/649839526.db2.gz SKZPOPAIAKPYAQ-UHFFFAOYSA-N 0 1 260.677 0.691 20 5 CCBDMN O=C(NCCN1CCNC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001155604408 801020842 /nfs/dbraw/zinc/02/08/42/801020842.db2.gz VGHYOKXRWQUEFH-UHFFFAOYSA-N 0 1 294.267 0.055 20 5 CCBDMN Cc1cnc(CNCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001157761084 801473614 /nfs/dbraw/zinc/47/36/14/801473614.db2.gz MGKQOKHIEZQSJB-NXEZZACHSA-N 0 1 282.300 0.244 20 5 CCBDMN C[C@H](O)C(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001158330319 801621847 /nfs/dbraw/zinc/62/18/47/801621847.db2.gz YMOLOSQZGISONX-LURJTMIESA-N 0 1 256.262 0.455 20 5 CCBDMN CC[C@](C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])OC ZINC001158788233 801704898 /nfs/dbraw/zinc/70/48/98/801704898.db2.gz BHTOESAZQULFQS-SNVBAGLBSA-N 0 1 256.262 0.863 20 5 CCBDMN CC(=O)N1CCC[C@@H](Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001229375491 805526279 /nfs/dbraw/zinc/52/62/79/805526279.db2.gz FTXFSZCNPCPREZ-SECBINFHSA-N 0 1 296.283 0.789 20 5 CCBDMN COCC(COC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229375283 805526606 /nfs/dbraw/zinc/52/66/06/805526606.db2.gz AKYQVXFQRIXCNG-UHFFFAOYSA-N 0 1 273.245 0.439 20 5 CCBDMN Cc1nc(OC[C@H]2COCO2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382632 805527434 /nfs/dbraw/zinc/52/74/34/805527434.db2.gz WAXHKWAOERDXNF-ZCFIWIBFSA-N 0 1 257.202 0.151 20 5 CCBDMN O=C1NC(=O)[C@H](N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)S1 ZINC001254571708 808261856 /nfs/dbraw/zinc/26/18/56/808261856.db2.gz APQWAQNGCRAOJD-LDYMZIIASA-N 0 1 293.304 0.961 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(Cc2nccs2)CC1 ZINC001261281728 808944996 /nfs/dbraw/zinc/94/49/96/808944996.db2.gz INFPRDHYXDDIBK-NXEZZACHSA-N 0 1 296.352 0.453 20 5 CCBDMN C[C@](CO)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(O)cc1 ZINC001143501245 811676459 /nfs/dbraw/zinc/67/64/59/811676459.db2.gz ZJBVGBJMSPZTKS-NQBHXWOUSA-N 0 1 280.280 0.381 20 5 CCBDMN CC[N@H+]1CC[C@@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])C1 ZINC001226333124 813963701 /nfs/dbraw/zinc/96/37/01/813963701.db2.gz YCBXUKSQFZNGJE-SSDOTTSWSA-N 0 1 254.246 0.563 20 5 CCBDMN Cc1nc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001030294720 815963935 /nfs/dbraw/zinc/96/39/35/815963935.db2.gz RSBCDRUFVFKEII-GHMZBOCLSA-N 0 1 296.352 0.417 20 5 CCBDMN O=C(NCC1CN(Cc2ccns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031663432 817228978 /nfs/dbraw/zinc/22/89/78/817228978.db2.gz ZJKHKJNBLCRUFX-GHMZBOCLSA-N 0 1 296.352 0.356 20 5 CCBDMN O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCC[P@@](=O)([O-])O)C1 ZINC001168976347 836074908 /nfs/dbraw/zinc/07/49/08/836074908.db2.gz CZPWPXJICVOWOL-ZJUUUORDSA-N 0 1 280.261 0.979 20 5 CCBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC3(C2)CS(=O)C3)C1 ZINC001169011529 836099350 /nfs/dbraw/zinc/09/93/50/836099350.db2.gz KPBBWZMRMJNXPX-VHSXEESVSA-N 0 1 258.343 0.496 20 5 CCBDMN CN(C1COC1)C1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169032945 836108480 /nfs/dbraw/zinc/10/84/80/836108480.db2.gz AATJTGCCZWLGRM-MNOVXSKESA-N 0 1 269.345 0.447 20 5 CCBDMN O=[N+]([O-])c1c[nH]c2ncnc(NC[C@@H]3COCCN3)c12 ZINC001170034327 836751507 /nfs/dbraw/zinc/75/15/07/836751507.db2.gz BRGQHNWCPDRYBW-SSDOTTSWSA-N 0 1 278.272 0.218 20 5 CCBDMN CNc1cc([N+](=O)[O-])cnc1NC[C@@H]1COCCN1 ZINC001170041298 836766098 /nfs/dbraw/zinc/76/60/98/836766098.db2.gz GRLXAKSVUAPRCS-MRVPVSSYSA-N 0 1 267.289 0.432 20 5 CCBDMN COC(=O)c1ncc([N+](=O)[O-])cc1NCC1CN(C)C1 ZINC001170258342 837275802 /nfs/dbraw/zinc/27/58/02/837275802.db2.gz JAQDZPZBNQQTPB-UHFFFAOYSA-N 0 1 280.284 0.750 20 5 CCBDMN CCNC(=O)[C@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105855549 838615665 /nfs/dbraw/zinc/61/56/65/838615665.db2.gz GWEQCTNVDBPBNS-JOYOIKCWSA-N 0 1 281.312 0.742 20 5 CCBDMN O=[N+]([O-])c1cnc(NC[C@H]2COCCN2)c([N+](=O)[O-])c1 ZINC001159042773 838818463 /nfs/dbraw/zinc/81/84/63/838818463.db2.gz KFYRWLPJSYHYIT-ZETCQYMHSA-N 0 1 283.244 0.298 20 5 CCBDMN CC[C@@](N)(CO)Nc1cnc([N+](=O)[O-])cc1C(=O)OC ZINC001170866658 839467571 /nfs/dbraw/zinc/46/75/71/839467571.db2.gz VRJBWMTZWCDYDP-NSHDSACASA-N 0 1 284.272 0.246 20 5 CCBDMN CC[C@](N)(CO)Nc1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001170866715 839468200 /nfs/dbraw/zinc/46/82/00/839468200.db2.gz XEWBMNHGXBGGJR-GFCCVEGCSA-N 0 1 281.316 0.836 20 5 CCBDMN CN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1(C)C ZINC001186881299 844608952 /nfs/dbraw/zinc/60/89/52/844608952.db2.gz LJRKLFFTEBOHOS-UHFFFAOYSA-N 0 1 293.327 0.619 20 5 CCBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC1(CO)COC1 ZINC001173218890 842016572 /nfs/dbraw/zinc/01/65/72/842016572.db2.gz SKMQEUAVTNFHEI-JTQLQIEISA-N 0 1 266.297 0.877 20 5 CCBDMN Cc1nc(CNC(=O)COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001180005137 843096275 /nfs/dbraw/zinc/09/62/75/843096275.db2.gz OBKWUQWEOPRPCP-UHFFFAOYSA-N 0 1 291.267 0.717 20 5 CCBDMN CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)c1ccn[nH]1 ZINC001101509846 855302220 /nfs/dbraw/zinc/30/22/20/855302220.db2.gz MUHYKQZCQDIAKT-UHFFFAOYSA-N 0 1 290.283 0.897 20 5 CCBDMN CC(C)(CCC(=O)NCCN1CC=CC1)[N+](=O)[O-] ZINC001117752530 856070119 /nfs/dbraw/zinc/07/01/19/856070119.db2.gz IJCGMYMRLNVAKV-UHFFFAOYSA-N 0 1 255.318 0.810 20 5 CCBDMN C[NH2+][C@@H](C)CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001118176939 856189243 /nfs/dbraw/zinc/18/92/43/856189243.db2.gz QLMHLIXGUPPEEI-QMMMGPOBSA-N 0 1 288.329 0.266 20 5 CCBDMN O=[N+]([O-])c1ccc(NCCO)c(NCc2nnc[nH]2)c1 ZINC001118578921 856353799 /nfs/dbraw/zinc/35/37/99/856353799.db2.gz OWDSTHKLPWGJOZ-UHFFFAOYSA-N 0 1 278.272 0.729 20 5 CCBDMN COCc1nsc(NC(=O)c2c[nH]nc2[N+](=O)[O-])n1 ZINC001325232416 913292360 /nfs/dbraw/zinc/29/23/60/913292360.db2.gz FOQCEUYJBLEVFN-UHFFFAOYSA-N 0 1 284.257 0.568 20 5 CCBDMN O=C(NC1(CNC(=O)C2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001285899841 894117590 /nfs/dbraw/zinc/11/75/90/894117590.db2.gz JLFPIYLPMSYUCI-GHMZBOCLSA-N 0 1 295.339 0.607 20 5 CCBDMN CCN(CCNCc1csnn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001482924520 894701501 /nfs/dbraw/zinc/70/15/01/894701501.db2.gz ITZWVNXPRZJZEJ-NXEZZACHSA-N 0 1 299.356 0.141 20 5 CCBDMN CC(C)CNC(=O)C1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001126875566 894942577 /nfs/dbraw/zinc/94/25/77/894942577.db2.gz VVIPMWHYKRGUIT-GHMZBOCLSA-N 0 1 297.355 0.853 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC001116503912 898084301 /nfs/dbraw/zinc/08/43/01/898084301.db2.gz QPRMEONQJGKMGD-LURJTMIESA-N 0 1 279.260 0.246 20 5 CCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(C)(F)F ZINC001283538440 904899855 /nfs/dbraw/zinc/89/98/55/904899855.db2.gz BKBHNHQUKKQGSM-HTQZYQBOSA-N 0 1 293.270 0.272 20 5 CCBDMN CC(C)=C(C)CC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001292717213 906329843 /nfs/dbraw/zinc/32/98/43/906329843.db2.gz FGAZLMHGIMXRIM-GHMZBOCLSA-N 0 1 283.328 0.630 20 5 CCBDMN O=C(CCCc1nn[nH]n1)NCc1cccc([N+](=O)[O-])c1 ZINC001293541425 906486685 /nfs/dbraw/zinc/48/66/85/906486685.db2.gz NTKLOBMALSTJJE-UHFFFAOYSA-N 0 1 290.283 0.747 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC001307848455 908358435 /nfs/dbraw/zinc/35/84/35/908358435.db2.gz HXTMJHRIRKNUGA-MRVWCRGKSA-N 0 1 296.323 0.303 20 5 CCBDMN CNC(=O)N[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC001308076237 908376700 /nfs/dbraw/zinc/37/67/00/908376700.db2.gz NRSDRDGAYQNACI-SNVBAGLBSA-N 0 1 296.331 0.185 20 5 CCBDMN CCn1c(C[N+](=O)[O-])nnc1N1CCN(CC)[C@@H](C)C1 ZINC001339453021 921729454 /nfs/dbraw/zinc/72/94/54/921729454.db2.gz AMIVYMVBPNLVRI-JTQLQIEISA-N 0 1 282.348 0.605 20 5 CCBDMN C[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ncnn21 ZINC001328376317 915149546 /nfs/dbraw/zinc/14/95/46/915149546.db2.gz WGFPSODTTZCPLZ-PHDIDXHHSA-N 0 1 277.244 0.345 20 5 CCBDMN O=C(N[C@H]1CCn2cncc2C1)c1[nH]ncc1[N+](=O)[O-] ZINC001328658195 915336568 /nfs/dbraw/zinc/33/65/68/915336568.db2.gz XPWBHGVEDXRDQA-ZETCQYMHSA-N 0 1 276.256 0.259 20 5 CCBDMN O=C(N[C@H]1CCn2c[nH+]cc2C1)c1[n-]ncc1[N+](=O)[O-] ZINC001328658195 915336590 /nfs/dbraw/zinc/33/65/90/915336590.db2.gz XPWBHGVEDXRDQA-ZETCQYMHSA-N 0 1 276.256 0.259 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1Cc1nc([C@@H]2CCCN2)no1 ZINC001332326468 918056208 /nfs/dbraw/zinc/05/62/08/918056208.db2.gz YCWDGUYZIJBNCK-VIFPVBQESA-N 0 1 291.267 0.612 20 5 CCBDMN NC(=O)[C@@H](CNCC[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001336739189 920967327 /nfs/dbraw/zinc/96/73/27/920967327.db2.gz LOSHGAXALZXLSB-SNVBAGLBSA-N 0 1 269.276 0.336 20 5 CCBDMN Cn1c(CCC[N+](=O)[O-])nnc1N1CCN(C)C(C)(C)C1 ZINC001341331689 922431947 /nfs/dbraw/zinc/43/19/47/922431947.db2.gz NWWHFMLEMPJWFQ-UHFFFAOYSA-N 0 1 296.375 0.555 20 5 CCBDMN Cc1c([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cnn1C ZINC001360401932 926945138 /nfs/dbraw/zinc/94/51/38/926945138.db2.gz HFVATZQZVXOENL-GTNGPMTGSA-N 0 1 252.274 0.571 20 5 CCBDMN CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001589740530 950582517 /nfs/dbraw/zinc/58/25/17/950582517.db2.gz QEKZMTAIIOBWCH-ZETCQYMHSA-N 0 1 256.262 0.623 20 5 CCBDMN C[C@H](C(=O)[O-])[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC001588596100 959368510 /nfs/dbraw/zinc/36/85/10/959368510.db2.gz AQUKKWZFHUYXIQ-SECBINFHSA-N 0 1 295.295 0.694 20 5 CCBDMN CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)[O-] ZINC001603672511 974050030 /nfs/dbraw/zinc/05/00/30/974050030.db2.gz INEASYLXBMIETR-UHFFFAOYSA-N 0 1 283.284 0.553 20 5 CCBDMN CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001599078416 996934166 /nfs/dbraw/zinc/93/41/66/996934166.db2.gz DORJPAXAYLBANM-NSHDSACASA-N 0 1 284.272 0.004 20 5 CCBDMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001599078416 996934175 /nfs/dbraw/zinc/93/41/75/996934175.db2.gz DORJPAXAYLBANM-NSHDSACASA-N 0 1 284.272 0.004 20 5 CCBDMN COC(=O)[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090518134 349437826 /nfs/dbraw/zinc/43/78/26/349437826.db2.gz CINYBNJJGFMIQA-JTQLQIEISA-N 0 1 295.295 0.251 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000124848999 187157747 /nfs/dbraw/zinc/15/77/47/187157747.db2.gz JOOKHRJQJFPOTC-SNVBAGLBSA-N 0 1 279.296 0.794 20 5 CCBDMN CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000125045682 187167577 /nfs/dbraw/zinc/16/75/77/187167577.db2.gz YFZXBDILSZLVEV-SECBINFHSA-N 0 1 294.311 0.910 20 5 CCBDMN CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000125045682 187167578 /nfs/dbraw/zinc/16/75/78/187167578.db2.gz YFZXBDILSZLVEV-SECBINFHSA-N 0 1 294.311 0.910 20 5 CCBDMN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2[nH]nnc2c1 ZINC000337758048 214250258 /nfs/dbraw/zinc/25/02/58/214250258.db2.gz UPNUPTVCMRYUPA-UHFFFAOYSA-N 0 1 288.227 0.096 20 5 CCBDMN CC[C@@H]1CN(CC)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000456354069 529387006 /nfs/dbraw/zinc/38/70/06/529387006.db2.gz PBZWVMSUIQOEAU-LLVKDONJSA-N 0 1 295.343 0.734 20 5 CCBDMN O=C(NC[C@H](O)[C@H]1CCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600242333 361902074 /nfs/dbraw/zinc/90/20/74/361902074.db2.gz PJPBZLGBSPMVOP-NWDGAFQWSA-N 0 1 296.279 0.570 20 5 CCBDMN C[C@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000097202264 349633356 /nfs/dbraw/zinc/63/33/56/349633356.db2.gz GRQZLVZRDPZZHS-ZCFIWIBFSA-N 0 1 264.241 0.582 20 5 CCBDMN CC(C)(C)N1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC000126916875 187270121 /nfs/dbraw/zinc/27/01/21/187270121.db2.gz XKDSTFACLMMBDZ-SSDOTTSWSA-N 0 1 295.299 0.447 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCCN(C)C1=O ZINC000601968330 362441351 /nfs/dbraw/zinc/44/13/51/362441351.db2.gz DVTCBWTZQKJXRF-LBPRGKRZSA-N 0 1 295.343 0.734 20 5 CCBDMN CN(Cc1cccnc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000119046734 349916348 /nfs/dbraw/zinc/91/63/48/349916348.db2.gz OYZRMYAXQYOIHP-ZDUSSCGKSA-N 0 1 291.311 0.679 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000339204066 215013822 /nfs/dbraw/zinc/01/38/22/215013822.db2.gz YDAJQZVLAINFFS-QWRGUYRKSA-N 0 1 282.296 0.618 20 5 CCBDMN CCCN(CCn1c(C)ncc1[N+](=O)[O-])CC(=O)NC ZINC000602766873 362790158 /nfs/dbraw/zinc/79/01/58/362790158.db2.gz GDCDVPPYWQQITA-UHFFFAOYSA-N 0 1 283.332 0.558 20 5 CCBDMN C[C@H](N(C)Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)O ZINC000602836254 362826254 /nfs/dbraw/zinc/82/62/54/362826254.db2.gz MGAWJWSVEHSINJ-QMMMGPOBSA-N 0 1 256.306 0.920 20 5 CCBDMN O=C(CCCNC(=O)c1n[nH]cc1[N+](=O)[O-])NC1CC1 ZINC000343127522 137116980 /nfs/dbraw/zinc/11/69/80/137116980.db2.gz IYIOLRVLLASQFS-UHFFFAOYSA-N 0 1 281.272 0.107 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)CCC(N)=O)c1[N+](=O)[O-] ZINC000343527085 137140186 /nfs/dbraw/zinc/14/01/86/137140186.db2.gz LDIRTGBNDMPRPR-UHFFFAOYSA-N 0 1 283.288 0.218 20 5 CCBDMN C[C@H](CCO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000120346661 349983074 /nfs/dbraw/zinc/98/30/74/349983074.db2.gz VZCPYVALMQPFEQ-SSDOTTSWSA-N 0 1 292.288 0.783 20 5 CCBDMN COc1ccc(CN[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000050396443 348474979 /nfs/dbraw/zinc/47/49/79/348474979.db2.gz KJNBQWHSMOUXDW-JTQLQIEISA-N 0 1 279.296 0.972 20 5 CCBDMN C[C@H]1CNCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000054370138 348554490 /nfs/dbraw/zinc/55/44/90/348554490.db2.gz VCEOZYQQFLWWQN-JTQLQIEISA-N 0 1 263.297 0.958 20 5 CCBDMN CN(Cc1nnc[nH]1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000080528210 349215581 /nfs/dbraw/zinc/21/55/81/349215581.db2.gz WIEFKEJTUPTGCB-UHFFFAOYSA-N 0 1 297.296 0.534 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000089461349 349388401 /nfs/dbraw/zinc/38/84/01/349388401.db2.gz QDUDWULWGWOXHU-APPZFPTMSA-N 0 1 282.300 0.723 20 5 CCBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)CO ZINC000134843531 350377883 /nfs/dbraw/zinc/37/78/83/350377883.db2.gz QISKRSLQQALVTK-UHFFFAOYSA-N 0 1 281.312 0.896 20 5 CCBDMN CN(C)C1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000134986708 350381985 /nfs/dbraw/zinc/38/19/85/350381985.db2.gz XLBYFSOTZSYVCA-UHFFFAOYSA-N 0 1 282.275 0.702 20 5 CCBDMN NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154094798 350575489 /nfs/dbraw/zinc/57/54/89/350575489.db2.gz OWXGKLPLMVSQDB-YUMQZZPRSA-N 0 1 295.299 0.482 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1ccc(F)cc1[N+](=O)[O-] ZINC000236283830 352193192 /nfs/dbraw/zinc/19/31/92/352193192.db2.gz ZCPYGBKEHGBLKX-SECBINFHSA-N 0 1 283.259 0.452 20 5 CCBDMN O=C(NC[C@@H]1COC2(CCCC2)O1)c1n[nH]cc1[N+](=O)[O-] ZINC000271537622 191200624 /nfs/dbraw/zinc/20/06/24/191200624.db2.gz JMQFPLDEBXEQHR-MRVPVSSYSA-N 0 1 296.283 0.733 20 5 CCBDMN CNC(=O)C(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272664759 353083593 /nfs/dbraw/zinc/08/35/93/353083593.db2.gz IMOIHRBWMRQFGG-UHFFFAOYSA-N 0 1 295.295 0.802 20 5 CCBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)CN1CCO ZINC000418995655 234282270 /nfs/dbraw/zinc/28/22/70/234282270.db2.gz DEAOATWSWVELLQ-MNOVXSKESA-N 0 1 280.328 0.881 20 5 CCBDMN Cc1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])[nH]2)n[nH]1 ZINC000286215181 353569473 /nfs/dbraw/zinc/56/94/73/353569473.db2.gz BUCQMIIJGULHCU-RXMQYKEDSA-N 0 1 264.245 0.840 20 5 CCBDMN O=C(N[C@@H](CO)C1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000291153922 353770863 /nfs/dbraw/zinc/77/08/63/353770863.db2.gz GBCYPNBXSVSSRM-QMMMGPOBSA-N 0 1 268.273 0.599 20 5 CCBDMN Nc1cc(N2CCN(C3CC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000618896956 366114729 /nfs/dbraw/zinc/11/47/29/366114729.db2.gz VNUPTWUYKMAKEG-UHFFFAOYSA-N 0 1 292.339 0.954 20 5 CCBDMN CCc1nc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)n[nH]1 ZINC000295448613 353894369 /nfs/dbraw/zinc/89/43/69/353894369.db2.gz AUUMZKFFXCWKQH-UHFFFAOYSA-N 0 1 264.245 0.533 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C2CC2)C2COC2)c1[N+](=O)[O-] ZINC000295761878 353917345 /nfs/dbraw/zinc/91/73/45/353917345.db2.gz OKECDBBFTLKWMR-UHFFFAOYSA-N 0 1 280.284 0.884 20 5 CCBDMN O=C(NCc1n[nH]c(C2CC2)n1)c1ccc([N+](=O)[O-])[nH]1 ZINC000296280568 353939374 /nfs/dbraw/zinc/93/93/74/353939374.db2.gz XJUVQHFCDCLGCD-UHFFFAOYSA-N 0 1 276.256 0.848 20 5 CCBDMN C[C@@H](O)CN1CCN(Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000330397349 354343653 /nfs/dbraw/zinc/34/36/53/354343653.db2.gz HBBGUHPMKPOCKQ-GHMZBOCLSA-N 0 1 297.359 0.215 20 5 CCBDMN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C(N)=O ZINC000332674953 354717900 /nfs/dbraw/zinc/71/79/00/354717900.db2.gz GIVBKBZFPUKDOZ-HTQZYQBOSA-N 0 1 267.289 0.931 20 5 CCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000360763785 138009742 /nfs/dbraw/zinc/00/97/42/138009742.db2.gz LLVCKRCQJJVCNF-QMMMGPOBSA-N 0 1 290.283 0.859 20 5 CCBDMN C/C=C\C[C@@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000354217598 356368212 /nfs/dbraw/zinc/36/82/12/356368212.db2.gz RAUOGVSMBYWOML-XDVGHUOJSA-N 0 1 254.246 0.375 20 5 CCBDMN C[C@@H](CNc1ncc([N+](=O)[O-])cn1)N1CCN(C)CC1 ZINC000273570074 192209631 /nfs/dbraw/zinc/20/96/31/192209631.db2.gz DEGBPUVFRKSMBZ-JTQLQIEISA-N 0 1 280.332 0.433 20 5 CCBDMN COCCC(C)(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000354323946 356389787 /nfs/dbraw/zinc/38/97/87/356389787.db2.gz KGXSUPBDHHGBJY-UHFFFAOYSA-N 0 1 256.262 0.863 20 5 CCBDMN COc1cc(CNC[C@](C)(O)CO)c([N+](=O)[O-])cc1O ZINC000619464315 366263011 /nfs/dbraw/zinc/26/30/11/366263011.db2.gz QDLWEKGUHHHUQD-LBPRGKRZSA-N 0 1 286.284 0.142 20 5 CCBDMN CCc1ccc(C(=O)NCc2nn[nH]n2)cc1[N+](=O)[O-] ZINC000610436821 363558962 /nfs/dbraw/zinc/55/89/62/363558962.db2.gz HKSJMDHRWVOOGL-UHFFFAOYSA-N 0 1 276.256 0.600 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1c[nH]nn1 ZINC000610494479 363568180 /nfs/dbraw/zinc/56/81/80/363568180.db2.gz NOLAJHHQVHUPSZ-UHFFFAOYSA-N 0 1 262.229 0.346 20 5 CCBDMN O=C(NC1(CO)Cc2ccccc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000364594402 357123622 /nfs/dbraw/zinc/12/36/22/357123622.db2.gz VSBSZYIXKAPNIZ-VXGBXAGGSA-N 0 1 276.292 0.298 20 5 CCBDMN O=C(NCc1noc2c1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000377127431 357540692 /nfs/dbraw/zinc/54/06/92/357540692.db2.gz HBLSSJSEVNURAN-PSASIEDQSA-N 0 1 265.269 0.835 20 5 CCBDMN COC[C@H]1CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000610635755 363589431 /nfs/dbraw/zinc/58/94/31/363589431.db2.gz WDILDIWRTVRLBJ-MRVPVSSYSA-N 0 1 268.273 0.877 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCN3CCC2CC3)c1[N+](=O)[O-] ZINC000408158410 357946488 /nfs/dbraw/zinc/94/64/88/357946488.db2.gz BTWJVYHCXKUPSY-UHFFFAOYSA-N 0 1 279.300 0.547 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCN3CCC2CC3)c1[N+](=O)[O-] ZINC000408158410 357946493 /nfs/dbraw/zinc/94/64/93/357946493.db2.gz BTWJVYHCXKUPSY-UHFFFAOYSA-N 0 1 279.300 0.547 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](O)CC2)c1[N+](=O)[O-] ZINC000408179350 357956176 /nfs/dbraw/zinc/95/61/76/357956176.db2.gz YHIVAYPCLAAGFS-MRVPVSSYSA-N 0 1 268.273 0.613 20 5 CCBDMN O=C1NCC[C@H]1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000408358301 358050413 /nfs/dbraw/zinc/05/04/13/358050413.db2.gz NQMDWUOETOMKLS-SNVBAGLBSA-N 0 1 279.300 0.317 20 5 CCBDMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000573976889 359017797 /nfs/dbraw/zinc/01/77/97/359017797.db2.gz KWWFZXDKNCWKQU-UMNHJUIQSA-N 0 1 294.311 0.976 20 5 CCBDMN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000590044254 359419341 /nfs/dbraw/zinc/41/93/41/359419341.db2.gz JFQYYMIETYYUCM-IUCAKERBSA-N 0 1 265.269 0.964 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000591784726 359658845 /nfs/dbraw/zinc/65/88/45/359658845.db2.gz JGWDRMJXDTUZBG-DZSWIPIPSA-N 0 1 282.178 0.359 20 5 CCBDMN COCC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297081090 200079660 /nfs/dbraw/zinc/07/96/60/200079660.db2.gz JYAAJTKTVMLGQU-JTQLQIEISA-N 0 1 281.316 0.826 20 5 CCBDMN COCCN1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297081090 200079662 /nfs/dbraw/zinc/07/96/62/200079662.db2.gz JYAAJTKTVMLGQU-JTQLQIEISA-N 0 1 281.316 0.826 20 5 CCBDMN CCc1nc(Cn2cc([N+](=O)[O-])cc(F)c2=O)n[nH]1 ZINC000563128693 291196627 /nfs/dbraw/zinc/19/66/27/291196627.db2.gz UXPHIWODZGNJGI-UHFFFAOYSA-N 0 1 267.220 0.624 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1-c1nc([C@@H]2CCCN2)no1 ZINC000592356807 359823448 /nfs/dbraw/zinc/82/34/48/359823448.db2.gz BCNKEDPRBDTVNE-LURJTMIESA-N 0 1 264.245 0.803 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000592239521 359804361 /nfs/dbraw/zinc/80/43/61/359804361.db2.gz OGKAZGNDKNIPAV-ZDUSSCGKSA-N 0 1 292.295 0.521 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592247877 359805246 /nfs/dbraw/zinc/80/52/46/359805246.db2.gz PSNKCUXEKNVJAE-GZMMTYOYSA-N 0 1 292.295 0.519 20 5 CCBDMN C[C@@H]1[C@@H](C)N(c2c([N+](=O)[O-])ncn2C)CCN1C ZINC000611299150 363704843 /nfs/dbraw/zinc/70/48/43/363704843.db2.gz RLOQCLQEFUBTCZ-RKDXNWHRSA-N 0 1 253.306 0.857 20 5 CCBDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000593290427 360061116 /nfs/dbraw/zinc/06/11/16/360061116.db2.gz ITFRBDFPJSWJSJ-RKDXNWHRSA-N 0 1 268.273 0.729 20 5 CCBDMN CC[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])[C@H](C)O ZINC000594779564 360381543 /nfs/dbraw/zinc/38/15/43/360381543.db2.gz VFSBBTVNPDTZDK-JGVFFNPUSA-N 0 1 289.313 0.428 20 5 CCBDMN CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)C(=O)[O-] ZINC000595883240 360689909 /nfs/dbraw/zinc/68/99/09/360689909.db2.gz VUFGGYIXGAIJLT-MRVPVSSYSA-N 0 1 256.262 0.586 20 5 CCBDMN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CC[N@H+](C4CC4)C3)nn21 ZINC000596091966 360791739 /nfs/dbraw/zinc/79/17/39/360791739.db2.gz QTNMBOBWBDQBJG-SECBINFHSA-N 0 1 288.311 0.708 20 5 CCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](CO)C1 ZINC000179684845 189213715 /nfs/dbraw/zinc/21/37/15/189213715.db2.gz XETKZYPJOJINAC-MRVPVSSYSA-N 0 1 290.279 0.926 20 5 CCBDMN COC(=O)C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000598275915 361372162 /nfs/dbraw/zinc/37/21/62/361372162.db2.gz PRYRDBPQMAPACC-MRVPVSSYSA-N 0 1 296.283 0.637 20 5 CCBDMN C[C@H](O)C1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000598385713 361402163 /nfs/dbraw/zinc/40/21/63/361402163.db2.gz WSOVFNAVQHMBCW-ZETCQYMHSA-N 0 1 266.253 0.944 20 5 CCBDMN COC(=O)c1cnc(N2CC[N@H+]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000599083430 361568079 /nfs/dbraw/zinc/56/80/79/361568079.db2.gz LTANFBATAVXCQD-JTQLQIEISA-N 0 1 292.295 0.671 20 5 CCBDMN COC(=O)c1cnc(N2CCN3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000599083430 361568081 /nfs/dbraw/zinc/56/80/81/361568081.db2.gz LTANFBATAVXCQD-JTQLQIEISA-N 0 1 292.295 0.671 20 5 CCBDMN NC(=O)c1ccc(NCCN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599201217 361610397 /nfs/dbraw/zinc/61/03/97/361610397.db2.gz GKOUZYGFVIPYJG-JTQLQIEISA-N 0 1 294.311 0.172 20 5 CCBDMN CN1CCN(CC2CN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000599108920 361576222 /nfs/dbraw/zinc/57/62/22/361576222.db2.gz OVVIXJAIATTWHI-UHFFFAOYSA-N 0 1 297.384 0.735 20 5 CCBDMN CC[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000599346599 361664431 /nfs/dbraw/zinc/66/44/31/361664431.db2.gz LKFJJGKZOSONIG-MRVPVSSYSA-N 0 1 288.329 0.795 20 5 CCBDMN CCC1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599319703 361651369 /nfs/dbraw/zinc/65/13/69/361651369.db2.gz HYHWITIJWQUXMS-UHFFFAOYSA-N 0 1 274.302 0.549 20 5 CCBDMN O=[N+]([O-])c1cccc2ncnc(NCc3c[nH]nn3)c21 ZINC000612447003 363924111 /nfs/dbraw/zinc/92/41/11/363924111.db2.gz RBZKARVNUABJMX-UHFFFAOYSA-N 0 1 271.240 0.690 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[NH2+]1 ZINC000564932735 291318564 /nfs/dbraw/zinc/31/85/64/291318564.db2.gz FBSUQRVBGHVYMC-ZETCQYMHSA-N 0 1 266.257 0.129 20 5 CCBDMN CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000566677890 291430794 /nfs/dbraw/zinc/43/07/94/291430794.db2.gz XDVAMTLDXAHKOU-LURJTMIESA-N 0 1 254.246 0.163 20 5 CCBDMN C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1C ZINC000330601338 203023612 /nfs/dbraw/zinc/02/36/12/203023612.db2.gz VRZBJCHADTUKDO-QWRGUYRKSA-N 0 1 295.343 0.732 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CC(C(N)=O)=NO1 ZINC000276482377 193350208 /nfs/dbraw/zinc/35/02/08/193350208.db2.gz OMUIHEKKQIKDLF-NSHDSACASA-N 0 1 292.295 0.623 20 5 CCBDMN CCc1[nH]nc(C(=O)Nc2nncs2)c1[N+](=O)[O-] ZINC000263655700 190072133 /nfs/dbraw/zinc/07/21/33/190072133.db2.gz IHCGPWNCPBNSFJ-UHFFFAOYSA-N 0 1 268.258 0.984 20 5 CCBDMN COCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000264445588 190109859 /nfs/dbraw/zinc/10/98/59/190109859.db2.gz CIMPLRRZQRWQAZ-SECBINFHSA-N 0 1 282.300 0.373 20 5 CCBDMN CN1CCN(C)[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264726982 190131638 /nfs/dbraw/zinc/13/16/38/190131638.db2.gz PYQSZSVNUZHVNZ-ZDUSSCGKSA-N 0 1 292.339 0.570 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)[C@H](CO)C1 ZINC000459712882 249056224 /nfs/dbraw/zinc/05/62/24/249056224.db2.gz RWSIBMGMOXEFRY-AAEUAGOBSA-N 0 1 266.297 0.688 20 5 CCBDMN COCCN1CC[C@H](Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000265125710 190159797 /nfs/dbraw/zinc/15/97/97/190159797.db2.gz LCAQTRJLAGYDRL-JTQLQIEISA-N 0 1 283.332 0.769 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC([C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000265629475 190194928 /nfs/dbraw/zinc/19/49/28/190194928.db2.gz SJFCYLCCPXFWBO-QMMMGPOBSA-N 0 1 282.300 0.859 20 5 CCBDMN COc1cc([N+](=O)[O-])ccc1Cn1nnnc1CN ZINC000569807306 291709757 /nfs/dbraw/zinc/70/97/57/291709757.db2.gz DHNTWBOUMUPUOK-UHFFFAOYSA-N 0 1 264.245 0.097 20 5 CCBDMN Cc1nc(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)n[nH]1 ZINC000267508826 190335368 /nfs/dbraw/zinc/33/53/68/190335368.db2.gz LHMSQXVCVHFRDY-UHFFFAOYSA-N 0 1 291.271 0.170 20 5 CCBDMN Cc1nnc(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)[nH]1 ZINC000267508826 190335369 /nfs/dbraw/zinc/33/53/69/190335369.db2.gz LHMSQXVCVHFRDY-UHFFFAOYSA-N 0 1 291.271 0.170 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000163898114 284903890 /nfs/dbraw/zinc/90/38/90/284903890.db2.gz FBGRJLUQRSLTBZ-DTORHVGOSA-N 0 1 279.300 0.295 20 5 CCBDMN CCN1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288328393 197052002 /nfs/dbraw/zinc/05/20/02/197052002.db2.gz IEISTPNTZYPHQI-SECBINFHSA-N 0 1 294.311 0.862 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)C(=O)OC)c1[N+](=O)[O-] ZINC000281488609 195261216 /nfs/dbraw/zinc/26/12/16/195261216.db2.gz DQHSFCDAAFNDTJ-ZCFIWIBFSA-N 0 1 284.272 0.514 20 5 CCBDMN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC000187267486 388873597 /nfs/dbraw/zinc/87/35/97/388873597.db2.gz QNZZKIAREZKVAB-GFCCVEGCSA-N 0 1 294.311 0.111 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN(C2CC2)C1 ZINC000295226360 388995214 /nfs/dbraw/zinc/99/52/14/388995214.db2.gz BDUSFULPVWEJFL-SECBINFHSA-N 0 1 293.327 0.874 20 5 CCBDMN O=C(NC[C@H](CO)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000133027460 389230220 /nfs/dbraw/zinc/23/02/20/389230220.db2.gz QEFYRIDLWBUYCX-SNVBAGLBSA-N 0 1 290.279 0.824 20 5 CCBDMN Nc1cc(N)nc(SCCn2cc([N+](=O)[O-])cn2)n1 ZINC000153701868 389306040 /nfs/dbraw/zinc/30/60/40/389306040.db2.gz UNKNFMZNPGLCFV-UHFFFAOYSA-N 0 1 281.301 0.538 20 5 CCBDMN C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000422830591 389486131 /nfs/dbraw/zinc/48/61/31/389486131.db2.gz VUSGRZMXFRGYGT-BQBZGAKWSA-N 0 1 253.262 0.140 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000271104901 389438593 /nfs/dbraw/zinc/43/85/93/389438593.db2.gz KZPSVHSEJUYFJM-LLVKDONJSA-N 0 1 268.273 0.613 20 5 CCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCOC1 ZINC000178818901 389624128 /nfs/dbraw/zinc/62/41/28/389624128.db2.gz HKYHMUGEKULTNO-ZETCQYMHSA-N 0 1 290.272 0.801 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[S@](=O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000352306746 389787392 /nfs/dbraw/zinc/78/73/92/389787392.db2.gz PCZFLDXCKPBTLY-YIVBRQOJSA-N 0 1 286.313 0.219 20 5 CCBDMN Cc1nn(C)c(C(=O)N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000408319214 389842510 /nfs/dbraw/zinc/84/25/10/389842510.db2.gz HNSNDIACGLPOQY-UHFFFAOYSA-N 0 1 281.316 0.461 20 5 CCBDMN COCC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000432751157 389887726 /nfs/dbraw/zinc/88/77/26/389887726.db2.gz SHYALEOKSHGQGQ-LLVKDONJSA-N 0 1 284.316 0.121 20 5 CCBDMN Cc1nn(C)c(C(=O)Nc2ncccc2O)c1[N+](=O)[O-] ZINC000193916474 269741723 /nfs/dbraw/zinc/74/17/23/269741723.db2.gz WILVFWPKLDLVRW-UHFFFAOYSA-N 0 1 277.240 0.990 20 5 CCBDMN CCNC(=O)C(C)(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000457300434 390037968 /nfs/dbraw/zinc/03/79/68/390037968.db2.gz OCFZLHFRKZOGJI-UHFFFAOYSA-N 0 1 295.295 0.945 20 5 CCBDMN CC(C)[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC000487045287 390083675 /nfs/dbraw/zinc/08/36/75/390083675.db2.gz KPDVIGGWPCFOBA-JTQLQIEISA-N 0 1 280.332 0.574 20 5 CCBDMN CO[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1OC ZINC000488024492 390091249 /nfs/dbraw/zinc/09/12/49/390091249.db2.gz KMISTMOBZVGLHU-VXGBXAGGSA-N 0 1 297.311 0.102 20 5 CCBDMN CCOc1cc(Cn2nnnc2CN)ccc1[N+](=O)[O-] ZINC000580188584 390227143 /nfs/dbraw/zinc/22/71/43/390227143.db2.gz YSAIIZDLKCFQEB-UHFFFAOYSA-N 0 1 278.272 0.487 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1CNCCC(=O)NC(N)=O ZINC000582057458 390255263 /nfs/dbraw/zinc/25/52/63/390255263.db2.gz NFFPDIMNDDPLOK-UHFFFAOYSA-N 0 1 296.283 0.278 20 5 CCBDMN COC(=O)N1CC(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000496319749 390339973 /nfs/dbraw/zinc/33/99/73/390339973.db2.gz DCGLHBKTNZIKMO-GFCCVEGCSA-N 0 1 295.295 0.668 20 5 CCBDMN O=C(NC[C@@H](CO)Cc1ccco1)c1n[nH]cc1[N+](=O)[O-] ZINC000534268778 390890209 /nfs/dbraw/zinc/89/02/09/390890209.db2.gz YYZJJOBLKXFTPL-QMMMGPOBSA-N 0 1 294.267 0.492 20 5 CCBDMN Cc1nc(NCCN2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000450785330 533595392 /nfs/dbraw/zinc/59/53/92/533595392.db2.gz AMQUBBBVSXHGCZ-TXEJJXNPSA-N 0 1 292.339 0.995 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC000341963262 130177505 /nfs/dbraw/zinc/17/75/05/130177505.db2.gz FLPVXSCSNSRDGA-STQMWFEESA-N 0 1 296.327 0.407 20 5 CCBDMN O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000356725502 144027389 /nfs/dbraw/zinc/02/73/89/144027389.db2.gz AZWPASBYPMZQQE-XCBNKYQSSA-N 0 1 293.283 0.105 20 5 CCBDMN O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357960973 144137084 /nfs/dbraw/zinc/13/70/84/144137084.db2.gz MIXMVGZPGKDZPR-URLYPYJESA-N 0 1 264.237 0.675 20 5 CCBDMN O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000371408276 144330643 /nfs/dbraw/zinc/33/06/43/144330643.db2.gz GQWYAPXYRUXILP-DNRKLUKYSA-N 0 1 270.285 0.106 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@H]1c1ncon1 ZINC000371705877 144341504 /nfs/dbraw/zinc/34/15/04/144341504.db2.gz AXIHBLDGWLOVND-HRDYMLBCSA-N 0 1 266.257 0.788 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H](O)C2(CC2)C1 ZINC000548323421 286026826 /nfs/dbraw/zinc/02/68/26/286026826.db2.gz XBGAZWXXTFNESZ-NSHDSACASA-N 0 1 278.264 0.897 20 5 CCBDMN C[C@@H](NC(=O)[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000043709420 175103015 /nfs/dbraw/zinc/10/30/15/175103015.db2.gz BWLCNRVVJYSSJJ-BXKDBHETSA-N 0 1 279.296 0.760 20 5 CCBDMN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCNCC1 ZINC000044422003 175174094 /nfs/dbraw/zinc/17/40/94/175174094.db2.gz DTJIKXDHVNVECN-UHFFFAOYSA-N 0 1 283.259 0.545 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000332662124 276040371 /nfs/dbraw/zinc/04/03/71/276040371.db2.gz OTWGJTAHMBAFOL-UHFFFAOYSA-N 0 1 281.272 0.313 20 5 CCBDMN C[C@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000575867473 335126110 /nfs/dbraw/zinc/12/61/10/335126110.db2.gz SZGODDISFPWCGA-WDSKDSINSA-N 0 1 254.246 0.161 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000576036967 335144058 /nfs/dbraw/zinc/14/40/58/335144058.db2.gz CWXVROXBCOXWSN-IUCAKERBSA-N 0 1 292.295 0.377 20 5 CCBDMN CCC([NH3+])(CC)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000576038007 335144163 /nfs/dbraw/zinc/14/41/63/335144163.db2.gz ODANNHUEXCLVPE-UHFFFAOYSA-N 0 1 282.300 0.943 20 5 CCBDMN CNc1nccc(C(=O)Nc2ncccc2O)c1[N+](=O)[O-] ZINC000577424477 335351326 /nfs/dbraw/zinc/35/13/26/335351326.db2.gz CWZPMYADOLRTPY-UHFFFAOYSA-N 0 1 289.251 0.806 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000578130333 335511096 /nfs/dbraw/zinc/51/10/96/335511096.db2.gz DZDIRFVNMJEZFS-KWQFWETISA-N 0 1 292.295 0.519 20 5 CCBDMN Cc1nnsc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000384243811 336122843 /nfs/dbraw/zinc/12/28/43/336122843.db2.gz JUYYIAUEZJHBDY-SECBINFHSA-N 0 1 298.328 0.102 20 5 CCBDMN CC(C)(C)OC(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496700706 534883702 /nfs/dbraw/zinc/88/37/02/534883702.db2.gz LKJRMHZCYLAVKT-RKDXNWHRSA-N 0 1 287.316 0.683 20 5 CCBDMN CC[C@H]1CN(CC)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000456354070 529286912 /nfs/dbraw/zinc/28/69/12/529286912.db2.gz PBZWVMSUIQOEAU-NSHDSACASA-N 0 1 295.343 0.734 20 5 CCBDMN CCNC(=O)CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347825802 535789628 /nfs/dbraw/zinc/78/96/28/535789628.db2.gz XIJZEDUOIUJVSN-UHFFFAOYSA-N 0 1 278.312 0.874 20 5 CCBDMN CC[C@H](C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC000343173949 535975225 /nfs/dbraw/zinc/97/52/25/535975225.db2.gz FFVHSHRCEBPMSN-XPUUQOCRSA-N 0 1 284.272 0.635 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](CO)OC[C@H]2C)c1[N+](=O)[O-] ZINC000362360105 536003250 /nfs/dbraw/zinc/00/32/50/536003250.db2.gz RRCMFEZKIDXKMF-SFYZADRCSA-N 0 1 298.299 0.102 20 5 CCBDMN Cn1ccnc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000779633404 581195953 /nfs/dbraw/zinc/19/59/53/581195953.db2.gz BQBUCIBMPNSKAS-UHFFFAOYSA-N 0 1 297.296 0.202 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H]2C[C@@]2(CO)C1 ZINC000782608090 581313399 /nfs/dbraw/zinc/31/33/99/581313399.db2.gz KIRWPUADEABHNO-MFKMUULPSA-N 0 1 279.296 0.071 20 5 CCBDMN COC(=O)[C@H]1[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000794965072 581392443 /nfs/dbraw/zinc/39/24/43/581392443.db2.gz XJOKGRRWGHMKAM-JZYVYDRUSA-N 0 1 280.284 0.142 20 5 CCBDMN CCc1nc(COC(=O)c2n[nH]c(CC)c2[N+](=O)[O-])n[nH]1 ZINC000795611626 581415442 /nfs/dbraw/zinc/41/54/42/581415442.db2.gz JVIAHKBQHQRPSX-UHFFFAOYSA-N 0 1 294.271 0.918 20 5 CCBDMN CCc1nnc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]1 ZINC000760298513 581853403 /nfs/dbraw/zinc/85/34/03/581853403.db2.gz DCLJDVUGBKAVFF-UHFFFAOYSA-N 0 1 265.229 0.960 20 5 CCBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH]nn1 ZINC000748057793 581960773 /nfs/dbraw/zinc/96/07/73/581960773.db2.gz SIFRTUQDTXRKNL-UHFFFAOYSA-N 0 1 290.283 0.709 20 5 CCBDMN COC(=O)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000764557322 582055791 /nfs/dbraw/zinc/05/57/91/582055791.db2.gz JQGWADOCHJDFKG-ZETCQYMHSA-N 0 1 282.256 0.389 20 5 CCBDMN C[C@H](CNC(=O)[O-])[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000824967706 603996069 /nfs/dbraw/zinc/99/60/69/603996069.db2.gz UYBXDUCZKGCXLX-MRVPVSSYSA-N 0 1 271.277 0.379 20 5 CCBDMN O=C([O-])NC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000832534712 603996263 /nfs/dbraw/zinc/99/62/63/603996263.db2.gz ZCERJXUKAAZDRH-SNVBAGLBSA-N 0 1 297.315 0.771 20 5 CCBDMN CSC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC000839693801 617205188 /nfs/dbraw/zinc/20/51/88/617205188.db2.gz RCMJJWMSDWULDA-RKDXNWHRSA-N 0 1 274.342 0.680 20 5 CCBDMN COc1cccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839698672 617296315 /nfs/dbraw/zinc/29/63/15/617296315.db2.gz DEXUXJQVNIHBIP-NXEZZACHSA-N 0 1 265.269 0.414 20 5 CCBDMN CC(C)(CCC(=O)NC[C@H]1CN2CCN1CCC2)[N+](=O)[O-] ZINC000854352389 614081798 /nfs/dbraw/zinc/08/17/98/614081798.db2.gz BKUQFWKCZCPHAR-LBPRGKRZSA-N 0 1 298.387 0.328 20 5 CCBDMN CC(C)COC(=O)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000135217787 614161491 /nfs/dbraw/zinc/16/14/91/614161491.db2.gz GWNSYCCSPPHVCE-ZETCQYMHSA-N 0 1 284.272 0.635 20 5 CCBDMN CC(C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCOCC1 ZINC000840438554 614168242 /nfs/dbraw/zinc/16/82/42/614168242.db2.gz YJPQKQOVFBNAGD-NXEZZACHSA-N 0 1 256.302 0.973 20 5 CCBDMN CC(C)(C)C(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946706503 614339514 /nfs/dbraw/zinc/33/95/14/614339514.db2.gz AXQMUPBFXVZRFQ-GHMZBOCLSA-N 0 1 297.355 0.805 20 5 CCBDMN CC(C)C(=O)N1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953927148 614350325 /nfs/dbraw/zinc/35/03/25/614350325.db2.gz SMBPKAZYFCMJAW-VXGBXAGGSA-N 0 1 297.355 0.757 20 5 CCBDMN CCCCNC(=O)[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929421016 614427630 /nfs/dbraw/zinc/42/76/30/614427630.db2.gz SSPYYDVMHZFDPP-NSHDSACASA-N 0 1 257.334 0.891 20 5 CCBDMN CC1(C(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000946703163 614462043 /nfs/dbraw/zinc/46/20/43/614462043.db2.gz NNGBZGKVUDEHOK-GHMZBOCLSA-N 0 1 295.339 0.559 20 5 CCBDMN CC1(C)C[C@@](C)(NC(=O)c2n[nH]cc2[N+](=O)[O-])C(=O)O1 ZINC000820542099 614771527 /nfs/dbraw/zinc/77/15/27/614771527.db2.gz MFHWPEYBYBZPIW-LLVKDONJSA-N 0 1 282.256 0.532 20 5 CCBDMN CCC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946705805 614845993 /nfs/dbraw/zinc/84/59/93/614845993.db2.gz TYCVQHBXSXZPRS-NXEZZACHSA-N 0 1 269.301 0.169 20 5 CCBDMN CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673417 615039326 /nfs/dbraw/zinc/03/93/26/615039326.db2.gz YNKPHUYAQACQNT-SGIHWFKDSA-N 0 1 272.301 0.888 20 5 CCBDMN CCNCc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000843221251 615102970 /nfs/dbraw/zinc/10/29/70/615102970.db2.gz GHTUXRABAXRRAR-UHFFFAOYSA-N 0 1 266.261 0.796 20 5 CCBDMN CCOC(=O)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000842372369 615284277 /nfs/dbraw/zinc/28/42/77/615284277.db2.gz IRBFDHNPAJBPHH-HLTSFMKQSA-N 0 1 257.242 0.537 20 5 CCBDMN CCN1CC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819298898 615304604 /nfs/dbraw/zinc/30/46/04/615304604.db2.gz RDPXVZQGVSNNPM-QWHCGFSZSA-N 0 1 293.323 0.839 20 5 CCBDMN CCN1CC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000882485050 615311781 /nfs/dbraw/zinc/31/17/81/615311781.db2.gz OTDLMUSDXODZLA-NSHDSACASA-N 0 1 295.343 0.700 20 5 CCBDMN CCOC(=O)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000842372370 615369498 /nfs/dbraw/zinc/36/94/98/615369498.db2.gz IRBFDHNPAJBPHH-IWSPIJDZSA-N 0 1 257.242 0.537 20 5 CCBDMN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000839779868 615444962 /nfs/dbraw/zinc/44/49/62/615444962.db2.gz MZHXPFXDGSBNOG-ROHXPCBUSA-N 0 1 294.311 0.383 20 5 CCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000839717785 615530220 /nfs/dbraw/zinc/53/02/20/615530220.db2.gz KIXOFEOWJCEANI-DBRKOABJSA-N 0 1 270.207 0.470 20 5 CCBDMN CN(C(=O)CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000839697969 615816526 /nfs/dbraw/zinc/81/65/26/615816526.db2.gz LFBJDXMIYWKUBR-GHMZBOCLSA-N 0 1 283.328 0.559 20 5 CCBDMN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839683712 615998806 /nfs/dbraw/zinc/99/88/06/615998806.db2.gz PJDUKYWMPFNUAW-LMLFDSFASA-N 0 1 283.328 0.415 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCCN(C)C1=O ZINC000870601263 616182469 /nfs/dbraw/zinc/18/24/69/616182469.db2.gz NZUDKRXQBJPUII-KXUCPTDWSA-N 0 1 269.301 0.121 20 5 CCBDMN COC[C@@](C)(CCO)NCc1cccnc1[N+](=O)[O-] ZINC000886037382 617017220 /nfs/dbraw/zinc/01/72/20/617017220.db2.gz IOFLZSLKACKHHI-GFCCVEGCSA-N 0 1 269.301 0.867 20 5 CCBDMN C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000892179144 622648043 /nfs/dbraw/zinc/64/80/43/622648043.db2.gz HJFNUJCYFJSKPJ-JDDHQFAOSA-N 0 1 269.301 0.118 20 5 CCBDMN O=[N+]([O-])c1ncccc1OS(=O)(=O)c1c[nH]cn1 ZINC000121521289 624895941 /nfs/dbraw/zinc/89/59/41/624895941.db2.gz NPBHDJJDBRLPRC-UHFFFAOYSA-N 0 1 270.226 0.481 20 5 CCBDMN O=C(NC[C@@H](O)c1ccsc1)c1n[nH]cc1[N+](=O)[O-] ZINC000162945863 631016443 /nfs/dbraw/zinc/01/64/43/631016443.db2.gz OHYSXDKEVBFEST-MRVPVSSYSA-N 0 1 282.281 0.843 20 5 CCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1nnnn1C1CC1 ZINC000840673352 631713101 /nfs/dbraw/zinc/71/31/01/631713101.db2.gz LPLZBKRIFSBBIV-LPBLVHEISA-N 0 1 267.245 0.277 20 5 CCBDMN O=C(OCc1ccnn1C(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000870742821 632590859 /nfs/dbraw/zinc/59/08/59/632590859.db2.gz RETOQHZOLCMFMK-RNFRBKRXSA-N 0 1 261.184 0.987 20 5 CCBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)NC1CC1 ZINC000797976454 632647286 /nfs/dbraw/zinc/64/72/86/632647286.db2.gz KUGWAECSBAPQJK-ZCFIWIBFSA-N 0 1 267.241 0.747 20 5 CCBDMN O=C1C[C@@H](CNCC[N+](=O)[O-])Oc2ccccc21 ZINC000905409977 634861081 /nfs/dbraw/zinc/86/10/81/634861081.db2.gz SKQKUKTWGLQDIO-VIFPVBQESA-N 0 1 250.254 0.887 20 5 CCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCCC1 ZINC000990040765 633426347 /nfs/dbraw/zinc/42/63/47/633426347.db2.gz ZZQRLNPFAWGTKA-GHMZBOCLSA-N 0 1 281.312 0.169 20 5 CCBDMN Cn1cc([C@@]2(CNCC[N+](=O)[O-])CCCO2)cn1 ZINC000905687723 634892746 /nfs/dbraw/zinc/89/27/46/634892746.db2.gz RLXXLKUQALHOHO-NSHDSACASA-N 0 1 254.290 0.292 20 5 CCBDMN O=C(NC12CCN(CC1)C2)c1ccc([N+](=O)[O-])cn1 ZINC000913631357 637384991 /nfs/dbraw/zinc/38/49/91/637384991.db2.gz QQJYIEGGDYRAMU-UHFFFAOYSA-N 0 1 262.269 0.568 20 5 CCBDMN CCNS(=O)(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000068981755 638283997 /nfs/dbraw/zinc/28/39/97/638283997.db2.gz GKGGCBZLUWBWFM-UHFFFAOYSA-N 0 1 287.341 0.624 20 5 CCBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)N(C)C ZINC000839007653 640290441 /nfs/dbraw/zinc/29/04/41/640290441.db2.gz GTYGAMHQZXZLKO-ZCFIWIBFSA-N 0 1 255.230 0.556 20 5 CCBDMN O=C(NC[C@H]1CC1(Cl)Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000839506240 640317122 /nfs/dbraw/zinc/31/71/22/640317122.db2.gz OOKVCILMYIPDLN-HSUXUTPPSA-N 0 1 253.085 0.962 20 5 CCBDMN O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839540226 640342388 /nfs/dbraw/zinc/34/23/88/640342388.db2.gz JBCAIHBJTTZMNL-IJLUTSLNSA-N 0 1 295.339 0.416 20 5 CCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)S1=O ZINC000839734453 640354283 /nfs/dbraw/zinc/35/42/83/640354283.db2.gz SOHYOMMVEVDMOQ-RBXMUDONSA-N 0 1 260.315 0.020 20 5 CCBDMN Cc1ncc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000839710302 640357065 /nfs/dbraw/zinc/35/70/65/640357065.db2.gz XZYFGBFPPDOYCE-RKDXNWHRSA-N 0 1 255.299 0.775 20 5 CCBDMN O=C(NC[C@@H](O)CCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839726797 640358571 /nfs/dbraw/zinc/35/85/71/640358571.db2.gz SGXQDQBZXRUIOO-YNEHKIRRSA-N 0 1 278.308 0.762 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000839772320 640363287 /nfs/dbraw/zinc/36/32/87/640363287.db2.gz BTLPNCBRLYYTJO-HKWIRBFKSA-N 0 1 264.281 0.890 20 5 CCBDMN O=C(Nc1ccc(O[C@H]2CC(=O)N2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839786269 640365663 /nfs/dbraw/zinc/36/56/63/640365663.db2.gz WKQFJZKDRHSKRV-FOGDFJRCSA-N 0 1 291.263 0.515 20 5 CCBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC1CCCC1 ZINC000840673099 642785979 /nfs/dbraw/zinc/78/59/79/642785979.db2.gz ZLOVOJGZYMWXFQ-FXBDTBDDSA-N 0 1 270.285 0.642 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1C=CCC1 ZINC000849429303 643740595 /nfs/dbraw/zinc/74/05/95/643740595.db2.gz NBFGKNRYYTXVOM-MRVPVSSYSA-N 0 1 269.282 0.987 20 5 CCBDMN Nc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000854496208 644213798 /nfs/dbraw/zinc/21/37/98/644213798.db2.gz HDNKZVSGFDDFGK-HTRCEHHLSA-N 0 1 266.213 0.781 20 5 CCBDMN C[C@H](c1ccccc1)[C@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856289120 644405948 /nfs/dbraw/zinc/40/59/48/644405948.db2.gz LAXRUBXUSBPMPU-OJAKKHQRSA-N 0 1 278.308 0.932 20 5 CCBDMN C[C@](CO)(Cc1ccc(F)cc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000870950388 646059303 /nfs/dbraw/zinc/05/93/03/646059303.db2.gz DGMLQYFBDSEBSZ-YRGRVCCFSA-N 0 1 296.298 0.901 20 5 CCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@@H](O)CN1C ZINC000924982991 648393772 /nfs/dbraw/zinc/39/37/72/648393772.db2.gz ZHJFKJKLNWHQIP-GHMZBOCLSA-N 0 1 293.323 0.698 20 5 CCBDMN Cc1noc(CN2CCN(C)CCN(C)CC2)c1[N+](=O)[O-] ZINC000933990080 649152070 /nfs/dbraw/zinc/15/20/70/649152070.db2.gz BBVLFBHRKUKZBA-UHFFFAOYSA-N 0 1 297.359 0.570 20 5 CCBDMN O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000247387220 649709811 /nfs/dbraw/zinc/70/98/11/649709811.db2.gz KLQIMXLZLMEMPO-OPRDCNLKSA-N 0 1 278.264 0.608 20 5 CCBDMN Cc1nc(N2C[C@@H]3OCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301662203 719372015 /nfs/dbraw/zinc/37/20/15/719372015.db2.gz MYXQBVRXUZEICN-RYUDHWBXSA-N 0 1 278.312 0.817 20 5 CCBDMN COc1cc(N2C[C@@H]3OCCN(C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164664347 719387851 /nfs/dbraw/zinc/38/78/51/719387851.db2.gz BHLHAXWNEACCPP-JQWIXIFHSA-N 0 1 294.311 0.518 20 5 CCBDMN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@@H]2CCN(C)C2)n1 ZINC001234923935 806315836 /nfs/dbraw/zinc/31/58/36/806315836.db2.gz RYGICMMBXLNEGF-SECBINFHSA-N 0 1 295.299 0.735 20 5 CCBDMN CCC[C@@H]1CNCCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001122012044 799121267 /nfs/dbraw/zinc/12/12/67/799121267.db2.gz ZTDRHESTHHJVCC-LLVKDONJSA-N 0 1 295.343 0.700 20 5 CCBDMN Cc1c[nH]c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC001149597431 800279773 /nfs/dbraw/zinc/27/97/73/800279773.db2.gz AZYQCPURAKDUMT-UHFFFAOYSA-N 0 1 250.218 0.279 20 5 CCBDMN COc1cc(N2CCN3CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001158424888 801643845 /nfs/dbraw/zinc/64/38/45/801643845.db2.gz ZJLNJWNJOQMDIM-SECBINFHSA-N 0 1 264.285 0.893 20 5 CCBDMN Cc1nc(NC[C@@H]2COCCN2)ncc1[N+](=O)[O-] ZINC001159047287 801752086 /nfs/dbraw/zinc/75/20/86/801752086.db2.gz ROPVBXNHHNXMPL-MRVPVSSYSA-N 0 1 253.262 0.094 20 5 CCBDMN NCc1nc2cnccc2n1-c1ncc([N+](=O)[O-])cc1N ZINC001162220153 802290719 /nfs/dbraw/zinc/29/07/19/802290719.db2.gz QISKMYRMGHXLLN-UHFFFAOYSA-N 0 1 285.267 0.765 20 5 CCBDMN COCCCN1CCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001165096028 802780973 /nfs/dbraw/zinc/78/09/73/802780973.db2.gz BFCARDDZPWBDNP-UHFFFAOYSA-N 0 1 295.343 0.731 20 5 CCBDMN CC(=O)N1CC(Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225491218 805135635 /nfs/dbraw/zinc/13/56/35/805135635.db2.gz NNFNXXSSZZGLAS-UHFFFAOYSA-N 0 1 252.226 0.910 20 5 CCBDMN COC(=O)c1cc(=O)[nH]c(O[C@@H](C[N+](=O)[O-])C2CC2)n1 ZINC001225730940 805155656 /nfs/dbraw/zinc/15/56/56/805155656.db2.gz QNAVUTIIXNFBBQ-QMMMGPOBSA-N 0 1 283.240 0.403 20 5 CCBDMN O=c1nc2cc([N+](=O)[O-])ccc2c(OC2COCOC2)[nH]1 ZINC001228242571 805424401 /nfs/dbraw/zinc/42/44/01/805424401.db2.gz QDRIBRYHYGEJQM-UHFFFAOYSA-N 0 1 293.235 0.995 20 5 CCBDMN Cc1nc(O[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229376367 805526384 /nfs/dbraw/zinc/52/63/84/805526384.db2.gz SGXQUHUFAWJQBE-QMMMGPOBSA-N 0 1 268.273 0.872 20 5 CCBDMN C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001278754546 808168227 /nfs/dbraw/zinc/16/82/27/808168227.db2.gz IHCBNWIEGKJLCY-VVULQXIFSA-N 0 1 269.301 0.153 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1nn[nH]n1 ZINC001279179819 809971428 /nfs/dbraw/zinc/97/14/28/809971428.db2.gz LDTCKAYQFDCBNJ-UHFFFAOYSA-N 0 1 278.228 0.393 20 5 CCBDMN O=C(NCc1cnn(CC(F)(F)F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001127036751 815584980 /nfs/dbraw/zinc/58/49/80/815584980.db2.gz ACPJPWRRTNABOM-HTQZYQBOSA-N 0 1 292.217 0.727 20 5 CCBDMN O=C(NCC1CN(Cc2cccnc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662166 817228001 /nfs/dbraw/zinc/22/80/01/817228001.db2.gz VVDFJYFWAISQBF-CHWSQXEVSA-N 0 1 290.323 0.295 20 5 CCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)C1CC1 ZINC001062377311 819919546 /nfs/dbraw/zinc/91/95/46/819919546.db2.gz XVNMYDQDIPWVJZ-NXEZZACHSA-N 0 1 281.312 0.217 20 5 CCBDMN NC1(c2noc(Cn3ccc(=O)c([N+](=O)[O-])c3)n2)CCC1 ZINC001118173205 820055688 /nfs/dbraw/zinc/05/56/88/820055688.db2.gz WUIRAHGBIYHDSL-UHFFFAOYSA-N 0 1 291.267 0.526 20 5 CCBDMN C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000712295846 822300529 /nfs/dbraw/zinc/30/05/29/822300529.db2.gz YHSXCLDVDGAYSP-MRVPVSSYSA-N 0 1 265.269 0.734 20 5 CCBDMN C[N@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000712295846 822300541 /nfs/dbraw/zinc/30/05/41/822300541.db2.gz YHSXCLDVDGAYSP-MRVPVSSYSA-N 0 1 265.269 0.734 20 5 CCBDMN Cc1cnc(CN)n1-c1ncnc(Cl)c1[N+](=O)[O-] ZINC001169022135 836114846 /nfs/dbraw/zinc/11/48/46/836114846.db2.gz LZKVQDGYBVEGRC-UHFFFAOYSA-N 0 1 268.664 0.991 20 5 CCBDMN CNC(=O)N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046777 836117021 /nfs/dbraw/zinc/11/70/21/836117021.db2.gz MUIXCVQZXCOVAI-QWRGUYRKSA-N 0 1 270.333 0.389 20 5 CCBDMN O=[N+]([O-])c1c[nH]c2nc(NC[C@@H]3COCCN3)ccc12 ZINC001170036281 836756198 /nfs/dbraw/zinc/75/61/98/836756198.db2.gz XAFGSMOVQJPJOJ-MRVPVSSYSA-N 0 1 277.284 0.871 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1COCCN1 ZINC001170042208 836771420 /nfs/dbraw/zinc/77/14/20/836771420.db2.gz ANRQQOVQQXIKHS-VIFPVBQESA-N 0 1 295.295 0.782 20 5 CCBDMN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3COCCN3)cn21 ZINC001170044562 836780724 /nfs/dbraw/zinc/78/07/24/836780724.db2.gz MWKFFBHTHHBPJI-SNVBAGLBSA-N 0 1 277.284 0.643 20 5 CCBDMN O=C(CCc1nn[nH]n1)Nc1cccc([N+](=O)[O-])c1 ZINC001135504491 839264379 /nfs/dbraw/zinc/26/43/79/839264379.db2.gz NPKCQEGSKNZTTJ-UHFFFAOYSA-N 0 1 262.229 0.679 20 5 CCBDMN CC[C@@](N)(CO)Nc1cc([N+](=O)[O-])ccc1C(=O)OC ZINC001170864818 839458790 /nfs/dbraw/zinc/45/87/90/839458790.db2.gz IUJBUIIRWNJMLC-LBPRGKRZSA-N 0 1 283.284 0.851 20 5 CCBDMN CC[C@](N)(CO)Nc1cc([N+](=O)[O-])cnc1C(=O)OC ZINC001170864955 839460464 /nfs/dbraw/zinc/46/04/64/839460464.db2.gz AXNDXIFCDUMGDR-LLVKDONJSA-N 0 1 284.272 0.246 20 5 CCBDMN COc1cc(Nc2nccnc2CN)cnc1[N+](=O)[O-] ZINC001171450093 841695157 /nfs/dbraw/zinc/69/51/57/841695157.db2.gz UAZFKINVBGBBCF-UHFFFAOYSA-N 0 1 276.256 0.991 20 5 CCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CC1 ZINC001066577736 847484597 /nfs/dbraw/zinc/48/45/97/847484597.db2.gz CBAGYHQUNKIHMW-GHMZBOCLSA-N 0 1 283.328 0.369 20 5 CCBDMN CN1CCN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000687589678 849110193 /nfs/dbraw/zinc/11/01/93/849110193.db2.gz ZXIPUTCWJQYSRO-GFCCVEGCSA-N 0 1 251.286 0.708 20 5 CCBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc[nH]n1 ZINC000080633273 849195750 /nfs/dbraw/zinc/19/57/50/849195750.db2.gz MGAPBCSBMHGRAV-UHFFFAOYSA-N 0 1 276.256 0.268 20 5 CCBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1(CO)COC1 ZINC001254538187 852674182 /nfs/dbraw/zinc/67/41/82/852674182.db2.gz RAMRNYUUFXRFRT-JTQLQIEISA-N 0 1 266.297 0.877 20 5 CCBDMN Cc1noc(NC(=O)c2c([N+](=O)[O-])cnn2C)n1 ZINC001116485433 855773732 /nfs/dbraw/zinc/77/37/32/855773732.db2.gz XAWFCGRQAIQANX-UHFFFAOYSA-N 0 1 252.190 0.272 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2CO)c1[N+](=O)[O-] ZINC001116784968 855834021 /nfs/dbraw/zinc/83/40/21/855834021.db2.gz DYTKSFCZSHXQFU-MRVPVSSYSA-N 0 1 282.300 0.867 20 5 CCBDMN Cc1nc(NC(=O)c2n[nH]cc2[N+](=O)[O-])nn1C ZINC001325023331 913154855 /nfs/dbraw/zinc/15/48/55/913154855.db2.gz OTPICFRSDVMLMS-UHFFFAOYSA-N 0 1 251.206 0.007 20 5 CCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC001326040332 913710566 /nfs/dbraw/zinc/71/05/66/913710566.db2.gz SQUVIIARVRASPB-SZEHBUNVSA-N 0 1 282.252 0.493 20 5 CCBDMN CCCCCC(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001299345654 900857854 /nfs/dbraw/zinc/85/78/54/900857854.db2.gz IXRBIPRDDRGEDJ-VXGBXAGGSA-N 0 1 297.355 0.901 20 5 CCBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC1CC1 ZINC001283718018 904970767 /nfs/dbraw/zinc/97/07/67/904970767.db2.gz IPGMXNMQPKPOCU-VXGBXAGGSA-N 0 1 297.355 0.807 20 5 CCBDMN NC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001292742863 906334636 /nfs/dbraw/zinc/33/46/36/906334636.db2.gz KDDUCIFGVVJFIG-OPRDCNLKSA-N 0 1 269.301 0.156 20 5 CCBDMN O=C(NCc1nc2c([nH]1)CCCC2)c1n[nH]cc1[N+](=O)[O-] ZINC001304055712 908135762 /nfs/dbraw/zinc/13/57/62/908135762.db2.gz GNEPZXYPILNOSR-UHFFFAOYSA-N 0 1 290.283 0.850 20 5 CCBDMN O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1[n-]ncc1[N+](=O)[O-] ZINC001304055712 908135774 /nfs/dbraw/zinc/13/57/74/908135774.db2.gz GNEPZXYPILNOSR-UHFFFAOYSA-N 0 1 290.283 0.850 20 5 CCBDMN CC1(C)C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCS1(=O)=O ZINC001304234549 908159359 /nfs/dbraw/zinc/15/93/59/908159359.db2.gz IVJSJCFCVILIFX-IWSPIJDZSA-N 0 1 290.341 0.124 20 5 CCBDMN O=C(CCNC(=O)C(F)(F)F)Cn1cnc([N+](=O)[O-])c1 ZINC001307284100 908299102 /nfs/dbraw/zinc/29/91/02/908299102.db2.gz BZKAILFYTCCJMS-UHFFFAOYSA-N 0 1 294.189 0.429 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC(F)F)n1 ZINC001309948984 908484564 /nfs/dbraw/zinc/48/45/64/908484564.db2.gz AUPIMFVOSMIBCE-UHFFFAOYSA-N 0 1 284.244 0.262 20 5 CCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1CC=CC1 ZINC001319058446 909970056 /nfs/dbraw/zinc/97/00/56/909970056.db2.gz YITGZWYUBALMKQ-UHFFFAOYSA-N 0 1 279.300 0.169 20 5 CCBDMN Cc1cc(C[C@H](C)NC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC001319886777 910330477 /nfs/dbraw/zinc/33/04/77/910330477.db2.gz BFYWIAMOQPAPHW-ZETCQYMHSA-N 0 1 292.299 0.721 20 5 CCBDMN CCn1c(C[N+](=O)[O-])nnc1N1CCN(C2CCC2)CC1 ZINC001339326908 921700194 /nfs/dbraw/zinc/70/01/94/921700194.db2.gz LRURYDTVHUIVCL-UHFFFAOYSA-N 0 1 294.359 0.749 20 5 CCBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H](c2nc[nH]n2)C1 ZINC001329832894 916209625 /nfs/dbraw/zinc/20/96/25/916209625.db2.gz XASBTXPIHCCAHS-ZCFIWIBFSA-N 0 1 277.244 0.066 20 5 CCBDMN O=C(NC[C@@H](O)c1ccncc1)c1n[nH]cc1[N+](=O)[O-] ZINC001332226864 917971684 /nfs/dbraw/zinc/97/16/84/917971684.db2.gz AUXBIMYQLNUVCO-SECBINFHSA-N 0 1 277.240 0.176 20 5 CCBDMN COC[C@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC001341512864 922526721 /nfs/dbraw/zinc/52/67/21/922526721.db2.gz ARLBMQZYAXTSAK-GFCCVEGCSA-N 0 1 279.296 0.655 20 5 CCBDMN COC[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC001343056068 923184968 /nfs/dbraw/zinc/18/49/68/923184968.db2.gz RXWFPKGWDKBUAE-LLVKDONJSA-N 0 1 294.311 0.359 20 5 CCBDMN O=C(OC[C@@H]1CCNC(=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001344854752 923711306 /nfs/dbraw/zinc/71/13/06/923711306.db2.gz FKBDCQVSGNSIPF-DJLDLDEBSA-N 0 1 256.258 0.111 20 5 CCBDMN COC[C@H]1CNCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001345656597 923940811 /nfs/dbraw/zinc/94/08/11/923940811.db2.gz NYXLGOLINIENFI-CYBMUJFWSA-N 0 1 293.323 0.584 20 5 CCBDMN COC(=O)[C@H]1CC(F)(F)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001351285243 925396624 /nfs/dbraw/zinc/39/66/24/925396624.db2.gz VADINHCKQPLICZ-FSDSQADBSA-N 0 1 278.211 0.061 20 5 CCBDMN O=C([O-])[C@H]1C[C@@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000401908867 973521389 /nfs/dbraw/zinc/52/13/89/973521389.db2.gz JHVLBBKJTQZBSU-CMPLNLGQSA-N 0 1 280.280 0.862 20 5 CCBDMN Cc1c(C(=O)NCC[N@H+](C)CC(=O)[O-])cccc1[N+](=O)[O-] ZINC001599980012 986150068 /nfs/dbraw/zinc/15/00/68/986150068.db2.gz FTUXKLTVTCVUDP-UHFFFAOYSA-N 0 1 295.295 0.649 20 5 CCBDMN C[N@H+]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC001598577363 993298646 /nfs/dbraw/zinc/29/86/46/993298646.db2.gz ZNRIAUBNDJZZPW-QWRGUYRKSA-N 0 1 294.263 0.909 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001599622493 994102509 /nfs/dbraw/zinc/10/25/09/994102509.db2.gz PQPBCIQXSZLATP-ZDUSSCGKSA-N 0 1 296.279 0.625 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001599622493 994102518 /nfs/dbraw/zinc/10/25/18/994102518.db2.gz PQPBCIQXSZLATP-ZDUSSCGKSA-N 0 1 296.279 0.625 20 5 CCBDMN C[C@@H]1CO[C@H](CO)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092041279 349481641 /nfs/dbraw/zinc/48/16/41/349481641.db2.gz MIDMGXOKIHHGCJ-SKDRFNHKSA-N 0 1 282.296 0.882 20 5 CCBDMN NC(=O)[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269265609 190482320 /nfs/dbraw/zinc/48/23/20/190482320.db2.gz CZFNDBRCUWUSKW-QMMMGPOBSA-N 0 1 293.279 0.638 20 5 CCBDMN CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000125045905 187167178 /nfs/dbraw/zinc/16/71/78/187167178.db2.gz YFZXBDILSZLVEV-VIFPVBQESA-N 0 1 294.311 0.910 20 5 CCBDMN CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000125045905 187167179 /nfs/dbraw/zinc/16/71/79/187167179.db2.gz YFZXBDILSZLVEV-VIFPVBQESA-N 0 1 294.311 0.910 20 5 CCBDMN O=C(NCC[C@H]1CCCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC000600166102 361880871 /nfs/dbraw/zinc/88/08/71/361880871.db2.gz VOVIYDUBBOKGGC-MRVPVSSYSA-N 0 1 268.273 0.864 20 5 CCBDMN CCO[C@@]1(C)C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600366251 361933410 /nfs/dbraw/zinc/93/34/10/361933410.db2.gz JSYOSQNNGLIFSE-XCBNKYQSSA-N 0 1 254.246 0.615 20 5 CCBDMN C[C@H]1CNCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000125599855 187192781 /nfs/dbraw/zinc/19/27/81/187192781.db2.gz XHAIJOLXYPGNST-QMMMGPOBSA-N 0 1 264.285 0.611 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](CO)[C@H]2C)c1[N+](=O)[O-] ZINC000427833931 529466623 /nfs/dbraw/zinc/46/66/23/529466623.db2.gz XGTNHVKYAHRHDL-HTQZYQBOSA-N 0 1 282.300 0.723 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000600808309 362065881 /nfs/dbraw/zinc/06/58/81/362065881.db2.gz KYFUOKCWAVQICF-NSHDSACASA-N 0 1 295.295 0.097 20 5 CCBDMN C[C@@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CNCCO1 ZINC000602439832 362618263 /nfs/dbraw/zinc/61/82/63/362618263.db2.gz LKDAQWKLUQLKHN-ZDUSSCGKSA-N 0 1 279.296 0.590 20 5 CCBDMN CC[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1O ZINC000602495877 362644941 /nfs/dbraw/zinc/64/49/41/362644941.db2.gz YUAMPSNJUDIZQK-PSASIEDQSA-N 0 1 254.290 0.531 20 5 CCBDMN COCCOC[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602483037 362638651 /nfs/dbraw/zinc/63/86/51/362638651.db2.gz IHBYXETVKJZYMK-LLVKDONJSA-N 0 1 298.343 0.813 20 5 CCBDMN Cc1nn(C)c(C(=O)N2CCNC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000602532622 362661578 /nfs/dbraw/zinc/66/15/78/362661578.db2.gz ZEANESVOJPYQDM-SNVBAGLBSA-N 0 1 295.343 0.707 20 5 CCBDMN C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000602796310 362804302 /nfs/dbraw/zinc/80/43/02/362804302.db2.gz FFMYKOVBFDJSPJ-UWVGGRQHSA-N 0 1 267.333 0.853 20 5 CCBDMN COC[C@@H](NCc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602806073 362810287 /nfs/dbraw/zinc/81/02/87/362810287.db2.gz SGKABEIKWXUMKG-SNVBAGLBSA-N 0 1 254.290 0.843 20 5 CCBDMN Cn1cc(CN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602823225 362820100 /nfs/dbraw/zinc/82/01/00/362820100.db2.gz AAEBOPAGOAZFCV-UHFFFAOYSA-N 0 1 267.333 0.854 20 5 CCBDMN C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602848120 362836236 /nfs/dbraw/zinc/83/62/36/362836236.db2.gz ZCRLUDNAZMGYQL-WDEREUQCSA-N 0 1 297.359 0.215 20 5 CCBDMN COCCNCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262646530 137049213 /nfs/dbraw/zinc/04/92/13/137049213.db2.gz RWYJWKCOGZUAPY-UHFFFAOYSA-N 0 1 279.296 0.720 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)[C@H]2COC[C@@H]2O)c1[N+](=O)[O-] ZINC000342395886 137091116 /nfs/dbraw/zinc/09/11/16/137091116.db2.gz FMLOKPDFMIGZGR-IUCAKERBSA-N 0 1 298.299 0.102 20 5 CCBDMN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1nn[nH]n1 ZINC000343756150 137154736 /nfs/dbraw/zinc/15/47/36/137154736.db2.gz VUZSOPJSVVHKHT-ZETCQYMHSA-N 0 1 293.287 0.718 20 5 CCBDMN CCN1C[C@H](C)N(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000345957210 137262060 /nfs/dbraw/zinc/26/20/60/137262060.db2.gz MAPPMKQVPHRJJG-QWRGUYRKSA-N 0 1 295.343 0.732 20 5 CCBDMN CCc1nc([C@H](C)NC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC000347570617 137343546 /nfs/dbraw/zinc/34/35/46/137343546.db2.gz STPNVTSRBVMULZ-LURJTMIESA-N 0 1 293.287 0.500 20 5 CCBDMN CNc1ccc(C(=O)NCc2nn[nH]n2)cc1[N+](=O)[O-] ZINC000050779388 348479146 /nfs/dbraw/zinc/47/91/46/348479146.db2.gz JEMZPJBZJCAPLR-UHFFFAOYSA-N 0 1 277.244 0.080 20 5 CCBDMN CC(C)C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000068187383 348802397 /nfs/dbraw/zinc/80/23/97/348802397.db2.gz ZAWQKDNIOQZGTH-GHMZBOCLSA-N 0 1 283.328 0.369 20 5 CCBDMN Cc1[nH]nc(C(=O)Nc2ncccc2O)c1[N+](=O)[O-] ZINC000072049673 348915207 /nfs/dbraw/zinc/91/52/07/348915207.db2.gz RYIVYIYAJCIMPN-UHFFFAOYSA-N 0 1 263.213 0.979 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000080525802 349215951 /nfs/dbraw/zinc/21/59/51/349215951.db2.gz MZSNWDMBUUDMIF-UHFFFAOYSA-N 0 1 261.241 0.985 20 5 CCBDMN O=C(NCCc1nc[nH]n1)c1cc([N+](=O)[O-])c[nH]1 ZINC000080583289 349219638 /nfs/dbraw/zinc/21/96/38/349219638.db2.gz KIXLUOMOMARJBO-UHFFFAOYSA-N 0 1 250.218 0.014 20 5 CCBDMN Cc1cccc(C(=O)NCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000080604493 349221671 /nfs/dbraw/zinc/22/16/71/349221671.db2.gz AIFHFADMVWSXIK-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2nc[nH]n2)c1 ZINC000080623852 349222621 /nfs/dbraw/zinc/22/26/21/349222621.db2.gz XKYVAIOFMSQMLH-UHFFFAOYSA-N 0 1 297.296 0.234 20 5 CCBDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2nc[nH]n2)CC1 ZINC000082976958 349300493 /nfs/dbraw/zinc/30/04/93/349300493.db2.gz QSPDXOFMDFEYIS-RKDXNWHRSA-N 0 1 265.273 0.176 20 5 CCBDMN CC(C)COC[C@@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000127065549 350160431 /nfs/dbraw/zinc/16/04/31/350160431.db2.gz WAJOVQOLWMVYPG-QMMMGPOBSA-N 0 1 286.288 0.081 20 5 CCBDMN CO[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000131751914 350286014 /nfs/dbraw/zinc/28/60/14/350286014.db2.gz WNCZJPLTJWQJND-GFCCVEGCSA-N 0 1 281.312 0.867 20 5 CCBDMN CO[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000131751914 350286018 /nfs/dbraw/zinc/28/60/18/350286018.db2.gz WNCZJPLTJWQJND-GFCCVEGCSA-N 0 1 281.312 0.867 20 5 CCBDMN COCCNCC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136475017 350423028 /nfs/dbraw/zinc/42/30/28/350423028.db2.gz YOJYHMFESMACQE-UHFFFAOYSA-N 0 1 283.284 0.778 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000161703322 350727625 /nfs/dbraw/zinc/72/76/25/350727625.db2.gz VLPOSXXHQOZOOK-LURJTMIESA-N 0 1 284.272 0.778 20 5 CCBDMN C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCN1 ZINC000188404779 351592998 /nfs/dbraw/zinc/59/29/98/351592998.db2.gz MQMSJSLDGGWILS-SNVBAGLBSA-N 0 1 279.296 0.794 20 5 CCBDMN CSC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000194678986 351880847 /nfs/dbraw/zinc/88/08/47/351880847.db2.gz ZUYBAHGSLWMWKJ-UHFFFAOYSA-N 0 1 256.287 0.943 20 5 CCBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1nnc[nH]1 ZINC000227766492 352058991 /nfs/dbraw/zinc/05/89/91/352058991.db2.gz UCBQRALPWWOLTE-YFKPBYRVSA-N 0 1 250.218 0.532 20 5 CCBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1cnc[nH]1 ZINC000230697323 352117685 /nfs/dbraw/zinc/11/76/85/352117685.db2.gz CGGXUEDPOARZGI-UHFFFAOYSA-N 0 1 262.229 0.225 20 5 CCBDMN C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CO ZINC000248995195 352471961 /nfs/dbraw/zinc/47/19/61/352471961.db2.gz XWQDSPAOKRALNN-ZANVPECISA-N 0 1 293.323 0.896 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](O)C1 ZINC000269809598 352876978 /nfs/dbraw/zinc/87/69/78/352876978.db2.gz BNBVPPYVLIRTER-NSHDSACASA-N 0 1 267.285 0.213 20 5 CCBDMN CCC[C@@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270702673 352970062 /nfs/dbraw/zinc/97/00/62/352970062.db2.gz CEWGIRCLGICJMF-SNVBAGLBSA-N 0 1 256.262 0.599 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOC[C@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000274379269 353124271 /nfs/dbraw/zinc/12/42/71/353124271.db2.gz GBAWDIVXWBGIDY-IONNQARKSA-N 0 1 298.299 0.238 20 5 CCBDMN CC(C)(CC(N)=O)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274829079 353165621 /nfs/dbraw/zinc/16/56/21/353165621.db2.gz ZELDCOHPNLPDQR-UHFFFAOYSA-N 0 1 281.268 0.684 20 5 CCBDMN C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000277632950 353255448 /nfs/dbraw/zinc/25/54/48/353255448.db2.gz DHYFPBSHMDIQRM-ZETCQYMHSA-N 0 1 268.273 0.375 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC(CC(N)=O)C2)c1[N+](=O)[O-] ZINC000280492872 353365478 /nfs/dbraw/zinc/36/54/78/353365478.db2.gz KJTUCSIUFJVWBC-UHFFFAOYSA-N 0 1 295.299 0.218 20 5 CCBDMN NC(=O)c1cc([N+](=O)[O-])cnc1NCCN1CC=CCC1 ZINC000280131759 353340794 /nfs/dbraw/zinc/34/07/94/353340794.db2.gz DKEGGCMBRDPNKF-UHFFFAOYSA-N 0 1 291.311 0.763 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CC=CCC1 ZINC000280226297 353348707 /nfs/dbraw/zinc/34/87/07/353348707.db2.gz LVRNXVTYLIWRNZ-UHFFFAOYSA-N 0 1 293.327 0.478 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299454393 354017164 /nfs/dbraw/zinc/01/71/64/354017164.db2.gz UTQMLELERAVEIB-LURJTMIESA-N 0 1 254.246 0.487 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000299563545 354027519 /nfs/dbraw/zinc/02/75/19/354027519.db2.gz MCAGVHHOLSZRHH-UHFFFAOYSA-N 0 1 279.300 0.547 20 5 CCBDMN CC(C)(O)CN1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000314285806 354222522 /nfs/dbraw/zinc/22/25/22/354222522.db2.gz KCMKAPOEKFROCZ-UHFFFAOYSA-N 0 1 295.343 0.465 20 5 CCBDMN C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000330458390 354366710 /nfs/dbraw/zinc/36/67/10/354366710.db2.gz PGLVKIBUGQXCFU-CABZTGNLSA-N 0 1 282.296 0.882 20 5 CCBDMN CC[C@H](O)CN1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331070530 354437824 /nfs/dbraw/zinc/43/78/24/354437824.db2.gz SRKIKEFHROORPK-NSHDSACASA-N 0 1 297.359 0.217 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H](CO)C(C)(C)C ZINC000331308355 354528301 /nfs/dbraw/zinc/52/83/01/354528301.db2.gz XDFBDJRTTCWYFZ-SECBINFHSA-N 0 1 256.306 0.825 20 5 CCBDMN CN(C)CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332680764 354719595 /nfs/dbraw/zinc/71/95/95/354719595.db2.gz MGPXPQYDIXFSDU-UHFFFAOYSA-N 0 1 264.285 0.436 20 5 CCBDMN CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CN2CCC1CC2 ZINC000360800522 138011026 /nfs/dbraw/zinc/01/10/26/138011026.db2.gz YPDBMELZFHPYHF-NSHDSACASA-N 0 1 293.327 0.495 20 5 CCBDMN C/C=C\C[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000354217597 356368581 /nfs/dbraw/zinc/36/85/81/356368581.db2.gz RAUOGVSMBYWOML-SKRYNEFJSA-N 0 1 254.246 0.375 20 5 CCBDMN CC[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN1C[C@H](C)O ZINC000609257395 363481075 /nfs/dbraw/zinc/48/10/75/363481075.db2.gz MMUFTARXNHLNBR-QWRGUYRKSA-N 0 1 297.359 0.610 20 5 CCBDMN O=C(NC[C@@H]1CN2CCN1CCC2)c1cc([N+](=O)[O-])c[nH]1 ZINC000619874023 366367280 /nfs/dbraw/zinc/36/72/80/366367280.db2.gz WRGQJMMHVVHSTN-LLVKDONJSA-N 0 1 293.327 0.043 20 5 CCBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCn1ccc([N+](=O)[O-])n1 ZINC000364962155 357133599 /nfs/dbraw/zinc/13/35/99/357133599.db2.gz SCTNWFRFLRMNAH-UMNHJUIQSA-N 0 1 293.327 0.377 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@@H](O)C1 ZINC000449412525 236032751 /nfs/dbraw/zinc/03/27/51/236032751.db2.gz FZGIGYSRVMVYBR-NSHDSACASA-N 0 1 268.269 0.494 20 5 CCBDMN O=[N+]([O-])c1cc(F)cnc1N1CCCN(CCO)CC1 ZINC000400404299 357794449 /nfs/dbraw/zinc/79/44/49/357794449.db2.gz HGYULDMSFCONKT-UHFFFAOYSA-N 0 1 284.291 0.633 20 5 CCBDMN CS(=O)(=O)N1CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000400162395 357787650 /nfs/dbraw/zinc/78/76/50/357787650.db2.gz HBCDOJXTMKMKGN-NSHDSACASA-N 0 1 299.352 0.718 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1[N+](=O)[O-] ZINC000408190206 357960449 /nfs/dbraw/zinc/96/04/49/357960449.db2.gz UKUNYMHVXFZWLT-OYNCUSHFSA-N 0 1 294.311 0.723 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C2CC(O)C2)c1[N+](=O)[O-] ZINC000408219573 357977448 /nfs/dbraw/zinc/97/74/48/357977448.db2.gz OMKMDVJZHISFIB-UHFFFAOYSA-N 0 1 254.246 0.222 20 5 CCBDMN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCNCC1 ZINC000417765678 358137985 /nfs/dbraw/zinc/13/79/85/358137985.db2.gz OHGAPFKOQKXTLM-UHFFFAOYSA-N 0 1 278.312 0.752 20 5 CCBDMN CC1(C(N)=O)CN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000566007379 358566766 /nfs/dbraw/zinc/56/67/66/358566766.db2.gz WAAMVHKPDYJRFR-UHFFFAOYSA-N 0 1 279.296 0.781 20 5 CCBDMN Cc1nncn1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274655694 192708942 /nfs/dbraw/zinc/70/89/42/192708942.db2.gz CNIKBDLIUGANIU-UHFFFAOYSA-N 0 1 291.267 0.630 20 5 CCBDMN CC(C)c1n[nH]c(C(=O)NCc2c[nH]nn2)c1[N+](=O)[O-] ZINC000610924022 363631730 /nfs/dbraw/zinc/63/17/30/363631730.db2.gz QYSKHZZVTIKAGK-UHFFFAOYSA-N 0 1 279.260 0.489 20 5 CCBDMN C[C@@H](CN(C)C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000588137645 359315295 /nfs/dbraw/zinc/31/52/95/359315295.db2.gz WQPWVYHUKIXTEI-QMMMGPOBSA-N 0 1 288.329 0.218 20 5 CCBDMN CN1CCO[C@@H]2CCN(c3ccncc3[N+](=O)[O-])C[C@@H]21 ZINC000585782192 359273000 /nfs/dbraw/zinc/27/30/00/359273000.db2.gz USSFGAYQHVORFR-QWHCGFSZSA-N 0 1 278.312 0.899 20 5 CCBDMN Cc1cccc(C(=O)Nc2n[nH]c3ncnn23)c1[N+](=O)[O-] ZINC000590379647 359447105 /nfs/dbraw/zinc/44/71/05/359447105.db2.gz MDLIZHLXQWGFMG-UHFFFAOYSA-N 0 1 287.239 0.921 20 5 CCBDMN C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590402742 359454177 /nfs/dbraw/zinc/45/41/77/359454177.db2.gz FENJZXWCVFHNAJ-PSASIEDQSA-N 0 1 294.311 0.860 20 5 CCBDMN C[C@H](O)CN1CCN(c2ccc(N)c([N+](=O)[O-])n2)[C@H](C)C1 ZINC000590579965 359489066 /nfs/dbraw/zinc/48/90/66/359489066.db2.gz ADIOVIVXNJPBDG-ZJUUUORDSA-N 0 1 295.343 0.463 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(CCOC)C2)c1[N+](=O)[O-] ZINC000591786123 359659897 /nfs/dbraw/zinc/65/98/97/359659897.db2.gz YVAIAXCOXZOQRI-UHFFFAOYSA-N 0 1 282.300 0.989 20 5 CCBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H]1CCC[NH2+]C1 ZINC000563106775 291193798 /nfs/dbraw/zinc/19/37/98/291193798.db2.gz BMUKDKLACLUODA-RKDXNWHRSA-N 0 1 294.311 0.813 20 5 CCBDMN C[C@H]1NCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000262168777 291194834 /nfs/dbraw/zinc/19/48/34/291194834.db2.gz AOFQXTMOJRSHMD-NXEZZACHSA-N 0 1 299.352 0.966 20 5 CCBDMN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@@H]1[NH3+] ZINC000592330532 359818497 /nfs/dbraw/zinc/81/84/97/359818497.db2.gz BVDYHHMQJQQEBI-KCJUWKMLSA-N 0 1 294.311 0.895 20 5 CCBDMN [NH3+][C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000592330722 359819725 /nfs/dbraw/zinc/81/97/25/359819725.db2.gz BWSIHZCQHDAAIX-YUMQZZPRSA-N 0 1 280.284 0.695 20 5 CCBDMN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H](C)N1 ZINC000592297009 359813075 /nfs/dbraw/zinc/81/30/75/359813075.db2.gz BKOUIEBKLUXWIM-OCAPTIKFSA-N 0 1 267.289 0.151 20 5 CCBDMN C[C@H]1[C@H](C)N(c2c([N+](=O)[O-])ncn2C)CCN1C ZINC000611299149 363704527 /nfs/dbraw/zinc/70/45/27/363704527.db2.gz RLOQCLQEFUBTCZ-IUCAKERBSA-N 0 1 253.306 0.857 20 5 CCBDMN CC(C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)[O-] ZINC000563283687 291212100 /nfs/dbraw/zinc/21/21/00/291212100.db2.gz ZAQZLDCIDKZINJ-UHFFFAOYSA-N 0 1 270.289 0.834 20 5 CCBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000593187610 360051841 /nfs/dbraw/zinc/05/18/41/360051841.db2.gz OUJIDFCPZVMJHQ-BBBLOLIVSA-N 0 1 296.331 0.126 20 5 CCBDMN CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000298198423 200358229 /nfs/dbraw/zinc/35/82/29/200358229.db2.gz VSKJKLDXUMBMMJ-UHFFFAOYSA-N 0 1 294.311 0.910 20 5 CCBDMN C[C@H](O)CN[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000593920050 360216272 /nfs/dbraw/zinc/21/62/72/360216272.db2.gz JKBOTOPQIIYEDE-GZMMTYOYSA-N 0 1 293.279 0.197 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC1CC=CC1 ZINC000594757913 360376904 /nfs/dbraw/zinc/37/69/04/360376904.db2.gz FDXWZVRCMXHXNG-UHFFFAOYSA-N 0 1 269.282 0.987 20 5 CCBDMN COCC[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594754032 360377286 /nfs/dbraw/zinc/37/72/86/360377286.db2.gz YAQLWJOVSGGGLY-MRVPVSSYSA-N 0 1 289.313 0.693 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCCCO ZINC000594770872 360379598 /nfs/dbraw/zinc/37/95/98/360379598.db2.gz QIHPDFVGFPIQNG-UHFFFAOYSA-N 0 1 275.286 0.041 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC1(CCO)CC1 ZINC000594775921 360380643 /nfs/dbraw/zinc/38/06/43/360380643.db2.gz LUABJEPLMQTURZ-UHFFFAOYSA-N 0 1 287.297 0.183 20 5 CCBDMN C[C@@H]1C[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594781417 360381841 /nfs/dbraw/zinc/38/18/41/360381841.db2.gz RTVLEYGWOBEKRW-RNFRBKRXSA-N 0 1 257.271 0.677 20 5 CCBDMN CO[C@@]1(CO)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595657650 360607175 /nfs/dbraw/zinc/60/71/75/360607175.db2.gz DZDQLTJFDXVMGR-LBPRGKRZSA-N 0 1 284.316 0.265 20 5 CCBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000597643449 361171289 /nfs/dbraw/zinc/17/12/89/361171289.db2.gz NELJPWJUOPXGBW-UHFFFAOYSA-N 0 1 266.253 0.897 20 5 CCBDMN C[NH+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000180863577 189280719 /nfs/dbraw/zinc/28/07/19/189280719.db2.gz JMWUNPMVIONBQZ-VIFPVBQESA-N 0 1 294.311 0.719 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000598224173 361357907 /nfs/dbraw/zinc/35/79/07/361357907.db2.gz BTPWICSTRDAMRV-TVQRCGJNSA-N 0 1 278.264 0.897 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H]3COC[C@H]3C2)c1[N+](=O)[O-] ZINC000598394340 361404058 /nfs/dbraw/zinc/40/40/58/361404058.db2.gz NCUGOLJOYHPWFL-DTWKUNHWSA-N 0 1 294.311 0.989 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(C)CCC2)n1 ZINC000599265096 361624902 /nfs/dbraw/zinc/62/49/02/361624902.db2.gz RBOFVNNHFUETIE-UHFFFAOYSA-N 0 1 274.302 0.549 20 5 CCBDMN CN(C)c1ccnc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000612346134 363889501 /nfs/dbraw/zinc/88/95/01/363889501.db2.gz IPHOZTXSNCJEBB-UHFFFAOYSA-N 0 1 291.271 0.286 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC(F)(F)C[C@H]2CO)c1[N+](=O)[O-] ZINC000614881100 364767675 /nfs/dbraw/zinc/76/76/75/364767675.db2.gz XJLRKZKLKVMZMX-LURJTMIESA-N 0 1 290.226 0.468 20 5 CCBDMN CC(C)(C)OC(=O)NCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496456081 240077908 /nfs/dbraw/zinc/07/79/08/240077908.db2.gz BZPXDUZCNMTLOO-HTQZYQBOSA-N 0 1 274.273 0.720 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CCO[C@H](OC)C2)c1[N+](=O)[O-] ZINC000615925433 365132735 /nfs/dbraw/zinc/13/27/35/365132735.db2.gz SZEJNSKJMWYUEB-VIFPVBQESA-N 0 1 298.299 0.715 20 5 CCBDMN C[C@H](CN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330639107 203067551 /nfs/dbraw/zinc/06/75/51/203067551.db2.gz DEJIDRVCUWNUIN-SNVBAGLBSA-N 0 1 295.343 0.289 20 5 CCBDMN CCO[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1OC ZINC000331797570 204174149 /nfs/dbraw/zinc/17/41/49/204174149.db2.gz RFASTTCICZHZMI-GTNGPMTGSA-N 0 1 284.272 0.240 20 5 CCBDMN CC[C@@H]1CN(C)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000574427715 335018986 /nfs/dbraw/zinc/01/89/86/335018986.db2.gz FXQUIKIRSQYAPE-SNVBAGLBSA-N 0 1 281.316 0.344 20 5 CCBDMN CSc1n[nH]c(NC(=O)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000263881129 190083500 /nfs/dbraw/zinc/08/35/00/190083500.db2.gz SZLRHGXDOXWPAA-UHFFFAOYSA-N 0 1 297.300 0.660 20 5 CCBDMN CCCN(CC(=O)OC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264131059 190091932 /nfs/dbraw/zinc/09/19/32/190091932.db2.gz DWXPIDOXRWGNCJ-UHFFFAOYSA-N 0 1 284.272 0.652 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000264587245 190121123 /nfs/dbraw/zinc/12/11/23/190121123.db2.gz AIGWIVBPXRRMBW-ZETCQYMHSA-N 0 1 296.283 0.515 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCc3n[nH]cc3C2)c1[N+](=O)[O-] ZINC000264651271 190125580 /nfs/dbraw/zinc/12/55/80/190125580.db2.gz FNALOOOEIUUNOM-UHFFFAOYSA-N 0 1 290.283 0.802 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2C[C@@H]3C[C@H]2CS3)n1 ZINC000459792217 249062164 /nfs/dbraw/zinc/06/21/64/249062164.db2.gz JFONDGLUZWLMRM-IUCAKERBSA-N 0 1 254.315 0.981 20 5 CCBDMN Cc1nn(C)c(N(C)Cc2nnc[nH]2)c1[N+](=O)[O-] ZINC000265812817 190209838 /nfs/dbraw/zinc/20/98/38/190209838.db2.gz UUUSPQMQFJOZJT-UHFFFAOYSA-N 0 1 251.250 0.391 20 5 CCBDMN O=C(NC[C@@H]1CCSC1)c1n[nH]cc1[N+](=O)[O-] ZINC000279253340 194354289 /nfs/dbraw/zinc/35/42/89/194354289.db2.gz SFMJCYTVLBMFQK-LURJTMIESA-N 0 1 256.287 0.801 20 5 CCBDMN CS(=O)(=O)NCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571417708 291813634 /nfs/dbraw/zinc/81/36/34/291813634.db2.gz SDNKMCWQXLZDGQ-LLVKDONJSA-N 0 1 299.352 0.721 20 5 CCBDMN CNc1nc(C(=O)N=c2nc(C)n(C)[nH]2)ccc1[N+](=O)[O-] ZINC000456040197 533073976 /nfs/dbraw/zinc/07/39/76/533073976.db2.gz AKJUPURFJCUUML-UHFFFAOYSA-N 0 1 291.271 0.143 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F ZINC000288560285 197112416 /nfs/dbraw/zinc/11/24/16/197112416.db2.gz IZONDESUTJXMHP-GSVOUGTGSA-N 0 1 252.152 0.999 20 5 CCBDMN CNS(=O)(=O)CCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000190302350 388987960 /nfs/dbraw/zinc/98/79/60/388987960.db2.gz BITFUJJACPAGHD-GQCTYLIASA-N 0 1 299.352 0.747 20 5 CCBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1nnc[nH]1 ZINC000227766219 389151716 /nfs/dbraw/zinc/15/17/16/389151716.db2.gz NFRQQBICFVYTIE-ZCFIWIBFSA-N 0 1 264.245 0.542 20 5 CCBDMN O=C1C[C@H]2CC[C@@H](CN1)N2CCn1ccc([N+](=O)[O-])n1 ZINC000361341329 389212381 /nfs/dbraw/zinc/21/23/81/389212381.db2.gz NRXBPEWGWVHPRD-ZJUUUORDSA-N 0 1 279.300 0.144 20 5 CCBDMN O=C(N[C@H]1CCCSC1)c1n[nH]cc1[N+](=O)[O-] ZINC000132224586 389221859 /nfs/dbraw/zinc/22/18/59/389221859.db2.gz HDUMAAFIAPDNFB-LURJTMIESA-N 0 1 256.287 0.943 20 5 CCBDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000155324116 389318323 /nfs/dbraw/zinc/31/83/23/389318323.db2.gz UJUTWKVTMVCXQU-QWRGUYRKSA-N 0 1 295.343 0.732 20 5 CCBDMN Cc1n[nH]c(C(=O)N(C)CCCn2ccnc2)c1[N+](=O)[O-] ZINC000268977845 389397775 /nfs/dbraw/zinc/39/77/75/389397775.db2.gz HUDOGVPPSLGCNM-UHFFFAOYSA-N 0 1 292.299 0.985 20 5 CCBDMN CN1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000269199330 389406694 /nfs/dbraw/zinc/40/66/94/389406694.db2.gz QQGWVIWGDSLHGL-MRVPVSSYSA-N 0 1 279.252 0.261 20 5 CCBDMN COC(=O)C[C@H]1CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000269449143 389418961 /nfs/dbraw/zinc/41/89/61/389418961.db2.gz HLVXHSXUDWZRGZ-MRVPVSSYSA-N 0 1 296.283 0.794 20 5 CCBDMN Cc1nnc(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[nH]1 ZINC000272488192 389468648 /nfs/dbraw/zinc/46/86/48/389468648.db2.gz GUXGXYIMRRNFBX-UHFFFAOYSA-N 0 1 291.267 0.699 20 5 CCBDMN CC(C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)O ZINC000276793022 389540670 /nfs/dbraw/zinc/54/06/70/389540670.db2.gz RGJDUFKOVAZLBH-VIFPVBQESA-N 0 1 270.289 0.843 20 5 CCBDMN COC(=O)c1cnc(N(C)Cc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000276823322 389543080 /nfs/dbraw/zinc/54/30/80/389543080.db2.gz UKCHFOLRJKYJSI-UHFFFAOYSA-N 0 1 292.255 0.531 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000276870861 389547783 /nfs/dbraw/zinc/54/77/83/389547783.db2.gz SPCWOHVCFKEBCY-SVRRBLITSA-N 0 1 268.273 0.327 20 5 CCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1nnc[nH]1 ZINC000176231447 389555360 /nfs/dbraw/zinc/55/53/60/389555360.db2.gz NOAKEULWHYGDSX-YFKPBYRVSA-N 0 1 278.228 0.305 20 5 CCBDMN O=C(NC1CCN(c2nccs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000374230408 389561411 /nfs/dbraw/zinc/56/14/11/389561411.db2.gz NARWGDIDAVLSOS-NXEZZACHSA-N 0 1 296.352 0.893 20 5 CCBDMN CCOC(=O)CN(CC)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000179189916 389644653 /nfs/dbraw/zinc/64/46/53/389644653.db2.gz WQVUXBCBFVTTKY-UHFFFAOYSA-N 0 1 298.299 0.906 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(=O)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000279567076 389589178 /nfs/dbraw/zinc/58/91/78/389589178.db2.gz LHLMSCSJQWSWHI-UHFFFAOYSA-N 0 1 293.283 0.285 20 5 CCBDMN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1O ZINC000351943686 389721445 /nfs/dbraw/zinc/72/14/45/389721445.db2.gz HORKAXDSUIZDSN-PELKAZGASA-N 0 1 279.296 0.506 20 5 CCBDMN CCc1nc(NC(=O)c2n[nH]c(CC)c2[N+](=O)[O-])n[nH]1 ZINC000351694405 389658212 /nfs/dbraw/zinc/65/82/12/389658212.db2.gz PEEMIIGLDOUERZ-UHFFFAOYSA-N 0 1 279.260 0.813 20 5 CCBDMN COCCN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000490043480 390103671 /nfs/dbraw/zinc/10/36/71/390103671.db2.gz KTPOBOKTJOEHFX-LLVKDONJSA-N 0 1 284.316 0.529 20 5 CCBDMN COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000497049331 390408976 /nfs/dbraw/zinc/40/89/76/390408976.db2.gz XOIJNJJVVSSXJF-LNFKQOIKSA-N 0 1 299.327 0.635 20 5 CCBDMN NC(=O)CCNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000521228085 390599809 /nfs/dbraw/zinc/59/98/09/390599809.db2.gz JRQKEPVJUIMXTE-UHFFFAOYSA-N 0 1 263.257 0.436 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000532631194 390882707 /nfs/dbraw/zinc/88/27/07/390882707.db2.gz AHBZNHGGZLUONW-RKDXNWHRSA-N 0 1 282.300 0.859 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(NCc2nnc[nH]2)n1 ZINC000341797185 130035307 /nfs/dbraw/zinc/03/53/07/130035307.db2.gz JYCLNSJPXMZIOG-UHFFFAOYSA-N 0 1 278.228 0.507 20 5 CCBDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000356851448 144038063 /nfs/dbraw/zinc/03/80/63/144038063.db2.gz MSXKWNSHZYZMCN-WDEREUQCSA-N 0 1 295.343 0.732 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)NC1(c2nnc[nH]2)CCC1 ZINC000357032128 144052127 /nfs/dbraw/zinc/05/21/27/144052127.db2.gz XGAZFXNMTIMOHU-UHFFFAOYSA-N 0 1 291.271 0.105 20 5 CCBDMN COC[C@@H]1CCCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000370719661 144313429 /nfs/dbraw/zinc/31/34/29/144313429.db2.gz LMYQQHBDYASWMW-GMTAPVOTSA-N 0 1 256.302 0.927 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CCN([C@H]3CCC[C@@H]3O)CC2)nc1 ZINC000363915142 275041102 /nfs/dbraw/zinc/04/11/02/275041102.db2.gz XVMNCQKEXVYYHW-RYUDHWBXSA-N 0 1 293.327 0.420 20 5 CCBDMN O=C(NC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000580071976 327691890 /nfs/dbraw/zinc/69/18/90/327691890.db2.gz UPDROFSJRLJDDF-ZETCQYMHSA-N 0 1 266.257 0.177 20 5 CCBDMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576950200 335268388 /nfs/dbraw/zinc/26/83/88/335268388.db2.gz WSDLLKCTJIXSIC-ONGXEEELSA-N 0 1 298.295 0.739 20 5 CCBDMN C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000579235434 335725164 /nfs/dbraw/zinc/72/51/64/335725164.db2.gz MKYDUJIOJPLFTA-SSDOTTSWSA-N 0 1 268.273 0.281 20 5 CCBDMN CC[NH2+]CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000579956723 335936403 /nfs/dbraw/zinc/93/64/03/335936403.db2.gz QBDSPYZQMQYNDV-UHFFFAOYSA-N 0 1 288.329 0.268 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000357624132 535970107 /nfs/dbraw/zinc/97/01/07/535970107.db2.gz IBSAHULWDFFWHS-QWRGUYRKSA-N 0 1 295.343 0.639 20 5 CCBDMN O=C(NCC1CC1)[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791054643 581206543 /nfs/dbraw/zinc/20/65/43/581206543.db2.gz WOBXPVWGQVYDMG-NSHDSACASA-N 0 1 255.318 0.501 20 5 CCBDMN CCc1[nH]nc(C(=O)OCc2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000795533921 581411348 /nfs/dbraw/zinc/41/13/48/581411348.db2.gz ZUSXFTMDCWUVNH-UHFFFAOYSA-N 0 1 280.244 0.664 20 5 CCBDMN Cn1nc(COC(=O)c2csc([N+](=O)[O-])c2)[nH]c1=O ZINC000765443844 581515127 /nfs/dbraw/zinc/51/51/27/581515127.db2.gz AICUYNLJFUZYJJ-UHFFFAOYSA-N 0 1 284.253 0.435 20 5 CCBDMN CCN1C[C@@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1=O ZINC000739224779 581525062 /nfs/dbraw/zinc/52/50/62/581525062.db2.gz ZORMVGDSIMHGNP-QMMMGPOBSA-N 0 1 281.268 0.948 20 5 CCBDMN O=C([O-])[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000739583832 581575888 /nfs/dbraw/zinc/57/58/88/581575888.db2.gz XDKJHAVIJDPLEB-QMMMGPOBSA-N 0 1 254.246 0.545 20 5 CCBDMN O=C([O-])[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000739583832 581575891 /nfs/dbraw/zinc/57/58/91/581575891.db2.gz XDKJHAVIJDPLEB-QMMMGPOBSA-N 0 1 254.246 0.545 20 5 CCBDMN CC(=O)N1CC[C@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000758566256 581756473 /nfs/dbraw/zinc/75/64/73/581756473.db2.gz SVAQLQLZFDIJRD-VIFPVBQESA-N 0 1 281.268 0.948 20 5 CCBDMN CCc1cc(CNc2ncc([N+](=O)[O-])c(N)n2)n[nH]1 ZINC000732804747 581849816 /nfs/dbraw/zinc/84/98/16/581849816.db2.gz VWLQUGIXURHCNN-UHFFFAOYSA-N 0 1 263.261 0.865 20 5 CCBDMN C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC000061172331 600308402 /nfs/dbraw/zinc/30/84/02/600308402.db2.gz NRXAOIAHIKUTHM-UHFFFAOYSA-N 0 1 295.295 0.989 20 5 CCBDMN O=C([O-])[C@]1(F)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000833175222 601447618 /nfs/dbraw/zinc/44/76/18/601447618.db2.gz OESFCQXBUBMUMM-JTQLQIEISA-N 0 1 272.236 0.290 20 5 CCBDMN O=C([O-])[C@]1(F)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000833175222 601447621 /nfs/dbraw/zinc/44/76/21/601447621.db2.gz OESFCQXBUBMUMM-JTQLQIEISA-N 0 1 272.236 0.290 20 5 CCBDMN O=C([O-])N[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000832392086 605917350 /nfs/dbraw/zinc/91/73/50/605917350.db2.gz LMIOWNCTDWFGRF-QMMMGPOBSA-N 0 1 269.261 0.133 20 5 CCBDMN CC(=O)N1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000860937036 613476406 /nfs/dbraw/zinc/47/64/06/613476406.db2.gz QKYZKTFCEHEWFF-MRVPVSSYSA-N 0 1 267.241 0.701 20 5 CCBDMN CC(C)(C)N1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000856098966 613945762 /nfs/dbraw/zinc/94/57/62/613945762.db2.gz WXRXQJMJMLHVKV-IVZWLZJFSA-N 0 1 283.328 0.415 20 5 CCBDMN CC(C)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839761983 614223906 /nfs/dbraw/zinc/22/39/06/614223906.db2.gz NVADXOCNZKXORV-BBBLOLIVSA-N 0 1 269.301 0.025 20 5 CCBDMN CCC(CC)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000840368909 614529143 /nfs/dbraw/zinc/52/91/43/614529143.db2.gz TXKAQSDQOFKKHC-HTQZYQBOSA-N 0 1 258.274 0.500 20 5 CCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C/C=C/Cl)C1 ZINC000950056127 614651367 /nfs/dbraw/zinc/65/13/67/614651367.db2.gz TTWZKWSEQYXWBN-YIZUVKHSSA-N 0 1 287.747 0.937 20 5 CCBDMN CCN(C)C(=O)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000218091160 614839008 /nfs/dbraw/zinc/83/90/08/614839008.db2.gz LQVQKHFXCHUCKA-GFCCVEGCSA-N 0 1 281.312 0.696 20 5 CCBDMN CCN(C[C@@H](O)C(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839731186 615062690 /nfs/dbraw/zinc/06/26/90/615062690.db2.gz MJDJMRWCOBIVBL-FSDSQADBSA-N 0 1 270.207 0.423 20 5 CCBDMN CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840300267 615284662 /nfs/dbraw/zinc/28/46/62/615284662.db2.gz JFODTUJWZNWLFT-KXUCPTDWSA-N 0 1 270.285 0.596 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000839786162 615867260 /nfs/dbraw/zinc/86/72/60/615867260.db2.gz MJELFQBZRHZJRD-IVZWLZJFSA-N 0 1 258.318 0.907 20 5 CCBDMN CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840301200 615888456 /nfs/dbraw/zinc/88/84/56/615888456.db2.gz CTEHZYDELHEHQC-OPRDCNLKSA-N 0 1 299.352 0.174 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CCF)CCOC)c1[N+](=O)[O-] ZINC000855590962 616030649 /nfs/dbraw/zinc/03/06/49/616030649.db2.gz YZQQKSCYVQTYFR-UHFFFAOYSA-N 0 1 288.279 0.938 20 5 CCBDMN CN(C[C@]1(O)CCc2ccccc21)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000843949417 616163942 /nfs/dbraw/zinc/16/39/42/616163942.db2.gz PYVLIIZLKVKHHC-UXIGCNINSA-N 0 1 290.319 0.944 20 5 CCBDMN CN1CCN(C)CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000897099374 616237582 /nfs/dbraw/zinc/23/75/82/616237582.db2.gz YYCQIOMYEZOYSL-UHFFFAOYSA-N 0 1 279.344 0.673 20 5 CCBDMN COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840409404 616287228 /nfs/dbraw/zinc/28/72/28/616287228.db2.gz ISCRAOOLFRQGHG-BSTOTGJRSA-N 0 1 284.312 0.890 20 5 CCBDMN C[N@@H+]1CC[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000928559152 616299561 /nfs/dbraw/zinc/29/95/61/616299561.db2.gz INGXVUGELNCCGY-SECBINFHSA-N 0 1 265.269 0.734 20 5 CCBDMN C[N@H+]1CC[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000928559152 616299563 /nfs/dbraw/zinc/29/95/63/616299563.db2.gz INGXVUGELNCCGY-SECBINFHSA-N 0 1 265.269 0.734 20 5 CCBDMN CN1CC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000928568494 616422415 /nfs/dbraw/zinc/42/24/15/616422415.db2.gz HEPRGCIDQFCJQP-NSHDSACASA-N 0 1 279.296 0.794 20 5 CCBDMN CN1C[C@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1=O ZINC000837417320 616423752 /nfs/dbraw/zinc/42/37/52/616423752.db2.gz UBUJBDYNNBFCMC-MRVPVSSYSA-N 0 1 294.263 0.822 20 5 CCBDMN COC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccn1 ZINC000854675224 616629952 /nfs/dbraw/zinc/62/99/52/616629952.db2.gz ADKDWXPXORPNAO-SZEHBUNVSA-N 0 1 279.252 0.077 20 5 CCBDMN COC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840301351 616630277 /nfs/dbraw/zinc/63/02/77/616630277.db2.gz GIJLTJLXHAJTOD-GMTAPVOTSA-N 0 1 278.264 0.682 20 5 CCBDMN COC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000839683275 616646638 /nfs/dbraw/zinc/64/66/38/616646638.db2.gz FSNUIBPFKPOKQT-OPRDCNLKSA-N 0 1 282.296 0.453 20 5 CCBDMN COC(=O)C[C@@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000871238641 616673520 /nfs/dbraw/zinc/67/35/20/616673520.db2.gz QKTPGPKOBFNEIP-KBVBSXBZSA-N 0 1 270.285 0.500 20 5 CCBDMN COC[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839794429 616766449 /nfs/dbraw/zinc/76/64/49/616766449.db2.gz WSHMWJOYLMAAOM-HBNTYKKESA-N 0 1 256.302 0.927 20 5 CCBDMN CON(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H](C)C(=O)OC(C)(C)C ZINC000871246788 616996206 /nfs/dbraw/zinc/99/62/06/616996206.db2.gz OSZRCMXPDDNVKH-IWSPIJDZSA-N 0 1 288.300 0.772 20 5 CCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])c1cscn1 ZINC000840673477 631714804 /nfs/dbraw/zinc/71/48/04/631714804.db2.gz PDVPCXUDVXHLSV-IYSWYEEDSA-N 0 1 256.239 0.534 20 5 CCBDMN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1COCO1)OCCO2 ZINC000894871982 631864015 /nfs/dbraw/zinc/86/40/15/631864015.db2.gz HQOQAZLYWMVFPG-JTQLQIEISA-N 0 1 296.279 0.829 20 5 CCBDMN CC1(C(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001001805627 639337762 /nfs/dbraw/zinc/33/77/62/639337762.db2.gz PNVBNEFVGYVXHR-NXEZZACHSA-N 0 1 281.312 0.026 20 5 CCBDMN O=C(NCC1CN(C(=O)C2CC=CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001796358 639340190 /nfs/dbraw/zinc/34/01/90/639340190.db2.gz QAZAEMIKMOTBHT-VXGBXAGGSA-N 0 1 293.323 0.192 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000839573144 640344001 /nfs/dbraw/zinc/34/40/01/640344001.db2.gz UTAWIJSUNIPWBM-MVWJERBFSA-N 0 1 291.307 0.473 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@](O)(C(F)(F)F)C1 ZINC000839694332 640349482 /nfs/dbraw/zinc/34/94/82/640349482.db2.gz SLRUVPXRBIOHAF-ATRFCDNQSA-N 0 1 268.191 0.177 20 5 CCBDMN O=C(N[C@H]1CCN(c2ncccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839700384 640351454 /nfs/dbraw/zinc/35/14/54/640351454.db2.gz HYCMTUCKSAVFKW-IQJOONFLSA-N 0 1 294.286 0.581 20 5 CCBDMN O=C(NC[C@@]1(O)CCCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839676056 640353541 /nfs/dbraw/zinc/35/35/41/640353541.db2.gz HXPWMWQLWXCKHA-KYOSRNDESA-N 0 1 290.319 0.992 20 5 CCBDMN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839703960 640355236 /nfs/dbraw/zinc/35/52/36/640355236.db2.gz MFPFXGHTZAYATK-IJLUTSLNSA-N 0 1 295.339 0.559 20 5 CCBDMN O=C(N[C@H]1CCCC[C@H]1N1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839706972 640357223 /nfs/dbraw/zinc/35/72/23/640357223.db2.gz XZYLLCOHESPATQ-YVECIDJPSA-N 0 1 297.355 0.411 20 5 CCBDMN O=C(N[C@H](CO)C[C@H](O)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839725520 640357946 /nfs/dbraw/zinc/35/79/46/640357946.db2.gz SAZCMNGTAIMLQO-LOWDOPEQSA-N 0 1 294.307 0.252 20 5 CCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000839751049 640360472 /nfs/dbraw/zinc/36/04/72/640360472.db2.gz VHXRDMBJUPMCLY-WGBDABJCSA-N 0 1 284.312 0.448 20 5 CCBDMN COc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC000839742025 640361168 /nfs/dbraw/zinc/36/11/68/640361168.db2.gz ZCBVEKPPGBPOFA-NXEZZACHSA-N 0 1 251.242 0.372 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](O)C12CCCC2 ZINC000839777590 640364557 /nfs/dbraw/zinc/36/45/57/640364557.db2.gz KGGFLISBZAUCKZ-BBBLOLIVSA-N 0 1 254.286 0.558 20 5 CCBDMN O=C(N[C@@H]1COc2ccccc2[C@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000839776247 640364679 /nfs/dbraw/zinc/36/46/79/640364679.db2.gz KDWXEVVLIMSTIW-DNRKLUKYSA-N 0 1 278.264 0.262 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000808751690 640877763 /nfs/dbraw/zinc/87/77/63/640877763.db2.gz HHMDDKQWMCVAHA-YUTCNCBUSA-N 0 1 296.323 0.303 20 5 CCBDMN O=C(NCC1CC1)[C@@H]1CSCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840301313 641048150 /nfs/dbraw/zinc/04/81/50/641048150.db2.gz FJMVWQHCTAETPX-BBBLOLIVSA-N 0 1 299.352 0.079 20 5 CCBDMN Cn1nncc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819314736 641400389 /nfs/dbraw/zinc/40/03/89/641400389.db2.gz JHHBXNMUJOUIRO-LBPRGKRZSA-N 0 1 277.284 0.547 20 5 CCBDMN Cn1cc(C2=CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000824423774 641824884 /nfs/dbraw/zinc/82/48/84/641824884.db2.gz PDDJPXIBPKZVJC-VXGBXAGGSA-N 0 1 276.296 0.701 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2CSC[C@@H]2C1 ZINC000827102490 641979968 /nfs/dbraw/zinc/97/99/68/641979968.db2.gz KTIWBAVEONJUJY-UTINFBMNSA-N 0 1 256.327 0.863 20 5 CCBDMN O=C(O[C@H]1CCN(CC(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842335754 642892733 /nfs/dbraw/zinc/89/27/33/642892733.db2.gz FYNJIQASINCOBH-XLPZGREQSA-N 0 1 264.228 0.534 20 5 CCBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CNCCO1)CC2 ZINC000843493477 643076934 /nfs/dbraw/zinc/07/69/34/643076934.db2.gz DMPPIFRNAPFPNC-CYBMUJFWSA-N 0 1 291.307 0.781 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCn2c(CC3CC3)nnc2C1 ZINC000844771919 643245884 /nfs/dbraw/zinc/24/58/84/643245884.db2.gz XTQSNQLTDMHZGI-NXEZZACHSA-N 0 1 291.311 0.238 20 5 CCBDMN Cn1cc(N2CC[C@H](COC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000851410515 643848070 /nfs/dbraw/zinc/84/80/70/643848070.db2.gz RHCJBBXSLKUFNP-MVWJERBFSA-N 0 1 294.311 0.455 20 5 CCBDMN C[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000853221896 644090851 /nfs/dbraw/zinc/09/08/51/644090851.db2.gz AAZJIDOZJQLEKK-YFKPBYRVSA-N 0 1 266.217 0.364 20 5 CCBDMN Cn1ncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C1CC1 ZINC000870771319 646023732 /nfs/dbraw/zinc/02/37/32/646023732.db2.gz UQLIJVIKBGKCMX-VXNVDRBHSA-N 0 1 250.258 0.901 20 5 CCBDMN O=C1C[C@]2(CCN(Cc3cccnc3[N+](=O)[O-])C2)CN1 ZINC000886179412 647915027 /nfs/dbraw/zinc/91/50/27/647915027.db2.gz VKTGOAMHFDWUBW-CYBMUJFWSA-N 0 1 276.296 0.702 20 5 CCBDMN O=C1NCCN1CCNCc1csc([N+](=O)[O-])c1 ZINC000886324383 647965772 /nfs/dbraw/zinc/96/57/72/647965772.db2.gz NINRXASQSUYRSV-UHFFFAOYSA-N 0 1 270.314 0.771 20 5 CCBDMN O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000931612916 649009216 /nfs/dbraw/zinc/00/92/16/649009216.db2.gz RNGGMLHITRULCQ-FRRDWIJNSA-N 0 1 299.371 0.395 20 5 CCBDMN CN1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000569812262 719386568 /nfs/dbraw/zinc/38/65/68/719386568.db2.gz VWVLTNPXCZKZKP-WDEREUQCSA-N 0 1 282.275 0.648 20 5 CCBDMN CN1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@@H]21 ZINC001164670192 719431061 /nfs/dbraw/zinc/43/10/61/719431061.db2.gz NSDOTCAOAAQZRH-WDEREUQCSA-N 0 1 279.300 0.091 20 5 CCBDMN O=C(CCNCC[N+](=O)[O-])NCc1ccccc1 ZINC001120573512 798871538 /nfs/dbraw/zinc/87/15/38/798871538.db2.gz DFPVKTLVUDBKHA-UHFFFAOYSA-N 0 1 251.286 0.559 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCNC[C@@H]1CO ZINC001122208886 799170100 /nfs/dbraw/zinc/17/01/00/799170100.db2.gz RLIPLXVIYIQZTQ-SECBINFHSA-N 0 1 283.259 0.140 20 5 CCBDMN COC(=O)[C@H]1C[C@@H]2C[C@@H](OC(=O)[C@@H]3CC3[N+](=O)[O-])[C@@H]2C1 ZINC001123370003 799399615 /nfs/dbraw/zinc/39/96/15/799399615.db2.gz XARDVCCHRUUNSC-YKXXYHOCSA-N 0 1 283.280 0.783 20 5 CCBDMN O=C(NC1CC(=O)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001141335220 800000887 /nfs/dbraw/zinc/00/08/87/800000887.db2.gz VNCNQJNSQBEKCJ-UHFFFAOYSA-N 0 1 274.236 0.932 20 5 CCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC=C[C@@H]1CO ZINC001153292272 800617573 /nfs/dbraw/zinc/61/75/73/800617573.db2.gz MVWJCKFMSJJKBM-SECBINFHSA-N 0 1 288.263 0.844 20 5 CCBDMN O=[N+]([O-])c1cc[n+]([O-])c(N2CCN3CC[C@H]3C2)c1 ZINC001158425462 801645092 /nfs/dbraw/zinc/64/50/92/801645092.db2.gz OYIZJNQZRLUMFH-JTQLQIEISA-N 0 1 250.258 0.123 20 5 CCBDMN COc1cc(C)nc(NC[C@@H]2COCCN2)c1[N+](=O)[O-] ZINC001159043938 801748215 /nfs/dbraw/zinc/74/82/15/801748215.db2.gz YTKOYOMCCHBXKQ-SECBINFHSA-N 0 1 282.300 0.707 20 5 CCBDMN COc1cnc(NC[C@H]2COCCN2)c([N+](=O)[O-])c1 ZINC001159043477 801748575 /nfs/dbraw/zinc/74/85/75/801748575.db2.gz STZVUUHCWUHGEQ-QMMMGPOBSA-N 0 1 268.273 0.399 20 5 CCBDMN CCOC(=O)c1c(CN)ncn1-c1ncccc1[N+](=O)[O-] ZINC001162538091 802361461 /nfs/dbraw/zinc/36/14/61/802361461.db2.gz YPPKYIDRFFEYRU-UHFFFAOYSA-N 0 1 291.267 0.811 20 5 CCBDMN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2NCC[C@@H]2O)n1 ZINC001211940932 814938119 /nfs/dbraw/zinc/93/81/19/814938119.db2.gz RKKSGSAMELOUFF-CBAPKCEASA-N 0 1 295.230 0.574 20 5 CCBDMN Cc1nc(OC2CN(C(=O)C(C)C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377980 814951456 /nfs/dbraw/zinc/95/14/56/814951456.db2.gz FATQTAQFZUFUQU-UHFFFAOYSA-N 0 1 296.283 0.644 20 5 CCBDMN CC(C)[N@H+]1CC[C@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])C1 ZINC001226331479 805220289 /nfs/dbraw/zinc/22/02/89/805220289.db2.gz KNUGUZYNRQIJIT-QMMMGPOBSA-N 0 1 268.273 0.952 20 5 CCBDMN COC(=O)c1cc(=O)c(O[C@H](C[N+](=O)[O-])C2CC2)c[nH]1 ZINC001227785339 805389804 /nfs/dbraw/zinc/38/98/04/805389804.db2.gz FWRCXLNFQHDCRN-LLVKDONJSA-N 0 1 282.252 0.596 20 5 CCBDMN CC[C@@H](O)C(=O)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604951 805458460 /nfs/dbraw/zinc/45/84/60/805458460.db2.gz YVWGIFNTQTYLST-ZCFIWIBFSA-N 0 1 283.240 0.644 20 5 CCBDMN Cc1nc(OC[C@H]2CCCO2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229380768 805526513 /nfs/dbraw/zinc/52/65/13/805526513.db2.gz KYOSOWDHFCVINR-SSDOTTSWSA-N 0 1 255.230 0.957 20 5 CCBDMN Cc1nc(OC[C@@H]2CCC(=O)O2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382989 805527950 /nfs/dbraw/zinc/52/79/50/805527950.db2.gz YEPAOXQBJMMCDO-LURJTMIESA-N 0 1 269.213 0.483 20 5 CCBDMN C[C@@H](CC[S@@](C)=O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001253838310 808154634 /nfs/dbraw/zinc/15/46/34/808154634.db2.gz HBKJNMHRMBOUMQ-AHGSNSTDSA-N 0 1 274.302 0.205 20 5 CCBDMN C[N@H+]1CC[C@@H]2CN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])C[C@@H]21 ZINC001261503217 809000759 /nfs/dbraw/zinc/00/07/59/809000759.db2.gz PYLHWHDHIYHIKV-SCZZXKLOSA-N 0 1 292.295 0.828 20 5 CCBDMN O=C(NC1CN(Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292567 815961451 /nfs/dbraw/zinc/96/14/51/815961451.db2.gz OZVADVIZLYRPSP-CHWSQXEVSA-N 0 1 275.308 0.652 20 5 CCBDMN O=C(NC1CN(CCC(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292395 815961476 /nfs/dbraw/zinc/96/14/76/815961476.db2.gz GCAQYGJIWJEZJW-HTQZYQBOSA-N 0 1 281.234 0.404 20 5 CCBDMN CC(C)=CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989964 820129348 /nfs/dbraw/zinc/12/93/48/820129348.db2.gz WBBICJALPADDJG-GHMZBOCLSA-N 0 1 295.339 0.773 20 5 CCBDMN O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCC[P@@](=O)([O-])O)C1 ZINC001168976346 836075678 /nfs/dbraw/zinc/07/56/78/836075678.db2.gz CZPWPXJICVOWOL-VHSXEESVSA-N 0 1 280.261 0.979 20 5 CCBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN3CCOC[C@@H]3C2)C1 ZINC001169013847 836100273 /nfs/dbraw/zinc/10/02/73/836100273.db2.gz WRSAPPXIPFGKMH-AGIUHOORSA-N 0 1 269.345 0.448 20 5 CCBDMN COC[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169037043 836111095 /nfs/dbraw/zinc/11/10/95/836111095.db2.gz HYUJWWDHKACAJG-WOPDTQHZSA-N 0 1 258.318 0.779 20 5 CCBDMN Cc1cnc(CN)n1-c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001169020065 836113527 /nfs/dbraw/zinc/11/35/27/836113527.db2.gz FYDCJIYJUNDDSQ-UHFFFAOYSA-N 0 1 276.256 0.042 20 5 CCBDMN C[C@H]1CN(C)C(=O)CN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049647 836117332 /nfs/dbraw/zinc/11/73/32/836117332.db2.gz XGVUXUAWUHKMLX-DCAQKATOSA-N 0 1 255.318 0.594 20 5 CCBDMN C[C@@H]1CCCCN1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001144072153 839925043 /nfs/dbraw/zinc/92/50/43/839925043.db2.gz ZDFDKNVBSXNOJU-SSDOTTSWSA-N 0 1 253.262 0.837 20 5 CCBDMN O=C(CN1CCCC1)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093652128 841403492 /nfs/dbraw/zinc/40/34/92/841403492.db2.gz HIVUBOQYFIXPBW-UHFFFAOYSA-N 0 1 293.327 0.614 20 5 CCBDMN COC(=O)[C@@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]2C[C@H]21 ZINC001178581095 842875952 /nfs/dbraw/zinc/87/59/52/842875952.db2.gz NZESWWLDWJQOBG-CWKFCGSDSA-N 0 1 294.267 0.245 20 5 CCBDMN Cn1ncc(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC001181913379 843644336 /nfs/dbraw/zinc/64/43/36/843644336.db2.gz ODXPWFUDLHBZLH-UHFFFAOYSA-N 0 1 277.288 0.413 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC001196554261 846774598 /nfs/dbraw/zinc/77/45/98/846774598.db2.gz QCABERQZMUJVTF-IINYFYTJSA-N 0 1 296.323 0.866 20 5 CCBDMN C[C@@H](O)[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000717286190 848217154 /nfs/dbraw/zinc/21/71/54/848217154.db2.gz BPJSYENQEJFUJS-SBMIAAHKSA-N 0 1 254.286 0.987 20 5 CCBDMN CN1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000687590707 849110388 /nfs/dbraw/zinc/11/03/88/849110388.db2.gz QNPBFHOQSVDXIA-CYBMUJFWSA-N 0 1 265.313 0.703 20 5 CCBDMN Cc1oncc1CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042705579 850740378 /nfs/dbraw/zinc/74/03/78/850740378.db2.gz JJJZFNMEDRCTOS-VXGBXAGGSA-N 0 1 294.311 0.291 20 5 CCBDMN Cn1ccnc1C[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001137337429 853069547 /nfs/dbraw/zinc/06/95/47/853069547.db2.gz ILEJOFNAOKIWOK-IJLUTSLNSA-N 0 1 292.339 0.866 20 5 CCBDMN NC(=O)CC1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC001116886296 855857996 /nfs/dbraw/zinc/85/79/96/855857996.db2.gz HLBJPVZZHPKYDZ-UHFFFAOYSA-N 0 1 279.252 0.248 20 5 CCBDMN NC(=O)c1ccnc(N2CCc3cn[nH]c3C2)c1[N+](=O)[O-] ZINC001327595947 914644035 /nfs/dbraw/zinc/64/40/35/914644035.db2.gz NTCNRNXQDNVANH-UHFFFAOYSA-N 0 1 288.267 0.375 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(OC[C@H]2OCCN(C)C2=O)n1 ZINC001231264538 903935623 /nfs/dbraw/zinc/93/56/23/903935623.db2.gz RZLNRXYERUXFBM-SECBINFHSA-N 0 1 297.267 0.240 20 5 CCBDMN CC1(CCC(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001293304088 906457669 /nfs/dbraw/zinc/45/76/69/906457669.db2.gz QLQLLCXFIAWJRB-GHMZBOCLSA-N 0 1 297.355 0.854 20 5 CCBDMN CN(C)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001295881658 906817613 /nfs/dbraw/zinc/81/76/13/906817613.db2.gz LGUWBLJNNCBXEX-UHFFFAOYSA-N 0 1 264.285 0.563 20 5 CCBDMN COc1ccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1O ZINC001303289418 908076769 /nfs/dbraw/zinc/07/67/69/908076769.db2.gz NZAHFAIEAMBOFN-NXEZZACHSA-N 0 1 280.280 0.725 20 5 CCBDMN O=[N+]([O-])CCN1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001308132671 908384284 /nfs/dbraw/zinc/38/42/84/908384284.db2.gz DZLHLNPDWJBQLO-TXEJJXNPSA-N 0 1 258.318 0.110 20 5 CCBDMN O=c1cc2c(n[nH]1)CCN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC001338320858 921430774 /nfs/dbraw/zinc/43/07/74/921430774.db2.gz RXTAQFZEOMYDEM-UHFFFAOYSA-N 0 1 290.283 0.345 20 5 CCBDMN CN1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC001321036900 911035208 /nfs/dbraw/zinc/03/52/08/911035208.db2.gz JOXVRVHKBNTYLJ-UHFFFAOYSA-N 0 1 294.311 0.260 20 5 CCBDMN Cc1nn(C)c(C(=O)NCCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC001321299682 911212083 /nfs/dbraw/zinc/21/20/83/911212083.db2.gz XGQBTSCFFVEYFW-UHFFFAOYSA-N 0 1 293.287 0.117 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCn3ccnc32)c1 ZINC001327993788 914911874 /nfs/dbraw/zinc/91/18/74/914911874.db2.gz XOVSWXCWWBDLDV-MNOVXSKESA-N 0 1 292.299 0.083 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC001329385378 915861164 /nfs/dbraw/zinc/86/11/64/915861164.db2.gz ZRTIGLPYXFCBSX-QMMMGPOBSA-N 0 1 290.283 0.681 20 5 CCBDMN O=C(Nc1cccc(-n2cnnc2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001350513181 925215753 /nfs/dbraw/zinc/21/57/53/925215753.db2.gz ZMNPRGGLPNRVLX-GHMZBOCLSA-N 0 1 273.252 0.871 20 5 CCBDMN CN(CCCNC(=O)CC1(C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001351722877 925462912 /nfs/dbraw/zinc/46/29/12/925462912.db2.gz JUNDFVYKXZRUKL-GHMZBOCLSA-N 0 1 297.355 0.807 20 5 CCBDMN COc1nscc1CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001353112343 925732034 /nfs/dbraw/zinc/73/20/34/925732034.db2.gz SQRRSWJPVUPNTR-HTQZYQBOSA-N 0 1 271.298 0.775 20 5 CCBDMN NC(=O)NC(=O)CCNCc1ccccc1[N+](=O)[O-] ZINC001356531825 926397686 /nfs/dbraw/zinc/39/76/86/926397686.db2.gz FZRVMHFQWBSFHY-UHFFFAOYSA-N 0 1 266.257 0.269 20 5 CCBDMN CC(C)=CC(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001357151257 926489050 /nfs/dbraw/zinc/48/90/50/926489050.db2.gz VAIKEJZXEBKZQF-GHMZBOCLSA-N 0 1 283.328 0.535 20 5 CCBDMN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCNC[C@@H]1CO ZINC001358035267 926623113 /nfs/dbraw/zinc/62/31/13/926623113.db2.gz FXWRLFHRXDOIID-SECBINFHSA-N 0 1 299.714 0.655 20 5 CCBDMN Nc1ccc(NC(=O)CCc2c[nH]nn2)cc1[N+](=O)[O-] ZINC001450779716 931335204 /nfs/dbraw/zinc/33/52/04/931335204.db2.gz YTNPSWTWMBDDMK-UHFFFAOYSA-N 0 1 276.256 0.866 20 5 CCBDMN Nc1ccc(NC(=O)CCc2cnn[nH]2)cc1[N+](=O)[O-] ZINC001450779716 931335208 /nfs/dbraw/zinc/33/52/08/931335208.db2.gz YTNPSWTWMBDDMK-UHFFFAOYSA-N 0 1 276.256 0.866 20 5 CCBDMN Cn1cc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])n1 ZINC001594542799 955665505 /nfs/dbraw/zinc/66/55/05/955665505.db2.gz IRSJYLZXRKXGPT-QMMMGPOBSA-N 0 1 268.273 0.625 20 5 CCBDMN C[C@H]1CO[C@H](CO)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092041280 349481297 /nfs/dbraw/zinc/48/12/97/349481297.db2.gz MIDMGXOKIHHGCJ-CABZTGNLSA-N 0 1 282.296 0.882 20 5 CCBDMN NC(=O)C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000599661136 361776330 /nfs/dbraw/zinc/77/63/30/361776330.db2.gz WQVYJGKUOZFSBL-NSHDSACASA-N 0 1 295.295 0.377 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCO[C@H](CF)C2)c1[N+](=O)[O-] ZINC000412433552 529466425 /nfs/dbraw/zinc/46/64/25/529466425.db2.gz HZLPLJNWIRMTKC-SSDOTTSWSA-N 0 1 286.263 0.691 20 5 CCBDMN C[C@H]1CNCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000126161822 187221382 /nfs/dbraw/zinc/22/13/82/187221382.db2.gz PNHVCNYSKYVLGM-VIFPVBQESA-N 0 1 297.286 0.933 20 5 CCBDMN Cc1[nH]ncc1CN(C)c1c([N+](=O)[O-])ncn1C ZINC000601182328 362168322 /nfs/dbraw/zinc/16/83/22/362168322.db2.gz UQWXAOAGJYWBPA-UHFFFAOYSA-N 0 1 250.262 0.996 20 5 CCBDMN Cc1nn(C)c(C(=O)N2C[C@@H](C)N[C@H](C)C2)c1[N+](=O)[O-] ZINC000153434165 231693126 /nfs/dbraw/zinc/69/31/26/231693126.db2.gz OYIBVXIEYVCSJT-HTQZYQBOSA-N 0 1 281.316 0.459 20 5 CCBDMN O=C(NCCN1CC[C@@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601682432 362353554 /nfs/dbraw/zinc/35/35/54/362353554.db2.gz ADGCTRBGFXJENQ-SECBINFHSA-N 0 1 297.286 0.530 20 5 CCBDMN CN(C)CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601775522 362387606 /nfs/dbraw/zinc/38/76/06/362387606.db2.gz FJHKDBUTZRERRO-CYBMUJFWSA-N 0 1 281.312 0.480 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)c1ncc([N+](=O)[O-])s1 ZINC000425285284 530030039 /nfs/dbraw/zinc/03/00/39/530030039.db2.gz SMRZWPWLZCYFFK-UHFFFAOYSA-N 0 1 257.231 0.776 20 5 CCBDMN Cn1cc(CN2CCN(C(C)(C)CO)CC2)c([N+](=O)[O-])n1 ZINC000602471241 362635430 /nfs/dbraw/zinc/63/54/30/362635430.db2.gz AOUAUGCZRKJFCV-UHFFFAOYSA-N 0 1 297.359 0.217 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1c(F)cccc1[N+](=O)[O-] ZINC000602552521 362675282 /nfs/dbraw/zinc/67/52/82/362675282.db2.gz UCQZWURMYGADIP-QMMMGPOBSA-N 0 1 283.259 0.452 20 5 CCBDMN Cn1cc(CN2CCC[C@H]2CCO)c([N+](=O)[O-])n1 ZINC000602621620 362715973 /nfs/dbraw/zinc/71/59/73/362715973.db2.gz IJPNLDZSISQMBM-JTQLQIEISA-N 0 1 254.290 0.675 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)CCN1CCCC1=O ZINC000602786130 362800792 /nfs/dbraw/zinc/80/07/92/362800792.db2.gz MZULBLQDKNYNBL-UHFFFAOYSA-N 0 1 295.343 0.654 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)CCNC(=O)C(C)C ZINC000602797631 362805872 /nfs/dbraw/zinc/80/58/72/362805872.db2.gz KZBXHFNSFXIGQL-UHFFFAOYSA-N 0 1 297.359 0.804 20 5 CCBDMN COC[C@H](O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000310851118 137073053 /nfs/dbraw/zinc/07/30/53/137073053.db2.gz OKYRQUKADSRHSA-SNVBAGLBSA-N 0 1 258.249 0.831 20 5 CCBDMN O=C(NCCCn1ccnc1)c1n[nH]cc1[N+](=O)[O-] ZINC000343081474 137113793 /nfs/dbraw/zinc/11/37/93/137113793.db2.gz LHGNLYIVABRWGG-UHFFFAOYSA-N 0 1 264.245 0.335 20 5 CCBDMN CO[C@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1(C)C ZINC000343891821 137164254 /nfs/dbraw/zinc/16/42/54/137164254.db2.gz YEMSFFAEKXGUAW-SFYZADRCSA-N 0 1 268.273 0.861 20 5 CCBDMN O=C(NCCc1nccs1)c1n[nH]cc1[N+](=O)[O-] ZINC000343386279 137131573 /nfs/dbraw/zinc/13/15/73/137131573.db2.gz QBIGSBPEFHVHAT-UHFFFAOYSA-N 0 1 267.270 0.747 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000344450109 137195192 /nfs/dbraw/zinc/19/51/92/137195192.db2.gz LMERECQCMZUUHS-PHIMTYICSA-N 0 1 295.343 0.732 20 5 CCBDMN O=C(NCc1nnc[nH]1)c1ccc([N+](=O)[O-])s1 ZINC000037920884 348218945 /nfs/dbraw/zinc/21/89/45/348218945.db2.gz GDBNDVFJRMSTDL-UHFFFAOYSA-N 0 1 253.243 0.704 20 5 CCBDMN CS(=O)(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000037740644 348200087 /nfs/dbraw/zinc/20/00/87/348200087.db2.gz CDCNWGSXDJAVIU-UHFFFAOYSA-N 0 1 258.299 0.729 20 5 CCBDMN C[C@@]1(CO)C[C@@H](O)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000602903784 362876815 /nfs/dbraw/zinc/87/68/15/362876815.db2.gz BPRZNITVBRPYJG-RISCZKNCSA-N 0 1 296.323 0.791 20 5 CCBDMN CNC(=O)CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347777092 137355885 /nfs/dbraw/zinc/35/58/85/137355885.db2.gz BAFLKZPNTCCQMB-UHFFFAOYSA-N 0 1 264.285 0.484 20 5 CCBDMN C[C@@H](N[C@@H](C)C(=O)NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000049240940 348446583 /nfs/dbraw/zinc/44/65/83/348446583.db2.gz DIICAYHRKATVKN-SFYZADRCSA-N 0 1 280.284 0.829 20 5 CCBDMN Nc1nccc(C(=O)Nc2ncccc2O)c1[N+](=O)[O-] ZINC000537264123 290867250 /nfs/dbraw/zinc/86/72/50/290867250.db2.gz OCUSZUHSNWMHAD-UHFFFAOYSA-N 0 1 275.224 0.755 20 5 CCBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H](C)N1 ZINC000070075777 348871339 /nfs/dbraw/zinc/87/13/39/348871339.db2.gz VMTSSFLNGCCRLT-DTORHVGOSA-N 0 1 266.301 0.756 20 5 CCBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCOCCO)C2)nc1 ZINC000072665228 348926651 /nfs/dbraw/zinc/92/66/51/348926651.db2.gz HLLKPZRERSXQFW-LLVKDONJSA-N 0 1 296.327 0.485 20 5 CCBDMN COc1ccc(C(=O)N(C)Cc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000078006753 349127073 /nfs/dbraw/zinc/12/70/73/349127073.db2.gz GCUWIHJYHOMGGT-UHFFFAOYSA-N 0 1 291.267 0.994 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000080524954 349216043 /nfs/dbraw/zinc/21/60/43/349216043.db2.gz XVHQRARGXJMQCY-UHFFFAOYSA-N 0 1 250.218 0.313 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1nc[nH]n1 ZINC000080583143 349219849 /nfs/dbraw/zinc/21/98/49/349219849.db2.gz WYSUHHCKHYPBBF-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN Cc1c(C(=O)NCCc2nc[nH]n2)cccc1[N+](=O)[O-] ZINC000080581941 349220139 /nfs/dbraw/zinc/22/01/39/349220139.db2.gz VEJFYRKBTDXWGX-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN Cc1cc(C(=O)NCCc2nc[nH]n2)cc([N+](=O)[O-])c1 ZINC000134856512 350377812 /nfs/dbraw/zinc/37/78/12/350377812.db2.gz GEKDIISBVYPPGC-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN CC[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151494897 350502764 /nfs/dbraw/zinc/50/27/64/350502764.db2.gz DBKVLJKCTXODOJ-UHFFFAOYSA-N 0 1 267.285 0.982 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CCNC(=O)CC2)c1[N+](=O)[O-] ZINC000109620887 186267434 /nfs/dbraw/zinc/26/74/34/186267434.db2.gz LDNWXVKNFBIZQC-UHFFFAOYSA-N 0 1 295.299 0.233 20 5 CCBDMN CN(C)C(=O)[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176200085 351160539 /nfs/dbraw/zinc/16/05/39/351160539.db2.gz UZIGIPUSDQSSHD-JTQLQIEISA-N 0 1 281.316 0.344 20 5 CCBDMN C[NH+](C)C[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000189563150 351688455 /nfs/dbraw/zinc/68/84/55/351688455.db2.gz MRBHVAFLFFWHBJ-VIFPVBQESA-N 0 1 294.311 0.719 20 5 CCBDMN COCCO[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000189741884 351699407 /nfs/dbraw/zinc/69/94/07/351699407.db2.gz PDDXJMQUMWMFTN-LBPRGKRZSA-N 0 1 284.316 0.529 20 5 CCBDMN Cc1c(CNC(=O)c2ncn[nH]2)cccc1[N+](=O)[O-] ZINC000231876530 352137505 /nfs/dbraw/zinc/13/75/05/352137505.db2.gz GOJMHKSHCMYYHS-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN Cc1c(CNC(=O)c2nc[nH]n2)cccc1[N+](=O)[O-] ZINC000231876530 352137508 /nfs/dbraw/zinc/13/75/08/352137508.db2.gz GOJMHKSHCMYYHS-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN Cc1cc(C(=O)NC[C@@H]2COCCN2)cc([N+](=O)[O-])c1 ZINC000235822388 352188857 /nfs/dbraw/zinc/18/88/57/352188857.db2.gz IJLPNNDEAVOWAN-LLVKDONJSA-N 0 1 279.296 0.621 20 5 CCBDMN COCCNCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000237153831 352247782 /nfs/dbraw/zinc/24/77/82/352247782.db2.gz YCYFAMNMCGLELM-UHFFFAOYSA-N 0 1 279.296 0.720 20 5 CCBDMN CC(C)N1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC000270737951 352976043 /nfs/dbraw/zinc/97/60/43/352976043.db2.gz WVRGORYDAOGVPD-ZETCQYMHSA-N 0 1 281.272 0.057 20 5 CCBDMN CC[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1O ZINC000270944192 353006640 /nfs/dbraw/zinc/00/66/40/353006640.db2.gz RXGYZLACCQBIMH-ZANVPECISA-N 0 1 293.323 0.896 20 5 CCBDMN O=C(N[C@H]1CCCCNC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272482099 353068108 /nfs/dbraw/zinc/06/81/08/353068108.db2.gz BEGIAGIWBOOWBH-NSHDSACASA-N 0 1 293.279 0.699 20 5 CCBDMN CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)OC ZINC000272708736 353087006 /nfs/dbraw/zinc/08/70/06/353087006.db2.gz XAOZVJSTABVUHR-JTQLQIEISA-N 0 1 282.252 0.982 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOC[C@@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000274379265 353124537 /nfs/dbraw/zinc/12/45/37/353124537.db2.gz GBAWDIVXWBGIDY-APPZFPTMSA-N 0 1 298.299 0.238 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000155371401 188202126 /nfs/dbraw/zinc/20/21/26/188202126.db2.gz GBLOJCGORXRWEJ-AOOOYVTPSA-N 0 1 295.343 0.651 20 5 CCBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@](O)(C(N)=O)C1 ZINC000286113491 353563111 /nfs/dbraw/zinc/56/31/11/353563111.db2.gz JBOYLMQLZJWCQX-HZMBPMFUSA-N 0 1 293.323 0.968 20 5 CCBDMN CN1CC2(C1)CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 ZINC000618921270 366122006 /nfs/dbraw/zinc/12/20/06/366122006.db2.gz SJOAZQYKWDRYLR-UHFFFAOYSA-N 0 1 265.273 0.096 20 5 CCBDMN CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000304301441 354111691 /nfs/dbraw/zinc/11/16/91/354111691.db2.gz HZUPMZLYDCKRFR-RAIGVLPGSA-N 0 1 298.343 0.652 20 5 CCBDMN CC[C@H](C)[C@@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000305753130 354159286 /nfs/dbraw/zinc/15/92/86/354159286.db2.gz UGNAPVZRVSIYAF-CPCISQLKSA-N 0 1 270.289 0.845 20 5 CCBDMN CC[C@H](CCO)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000305754631 354160227 /nfs/dbraw/zinc/16/02/27/354160227.db2.gz WLKVOUHUXIHZFR-SSDOTTSWSA-N 0 1 256.262 0.456 20 5 CCBDMN COCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531883201 358486280 /nfs/dbraw/zinc/48/62/80/358486280.db2.gz DTCNPGWPTUUIJD-SNVBAGLBSA-N 0 1 294.311 0.440 20 5 CCBDMN O=C(NC[C@H]1CCNCC1(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000424191522 235175057 /nfs/dbraw/zinc/17/50/57/235175057.db2.gz NSWHUEVEQDHYAH-ZCFIWIBFSA-N 0 1 289.242 0.293 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@](F)(CO)C2)c1[N+](=O)[O-] ZINC000338741455 355409415 /nfs/dbraw/zinc/40/94/15/355409415.db2.gz CAECREDCIWJWLT-JTQLQIEISA-N 0 1 272.236 0.173 20 5 CCBDMN Cc1nn(C)c(N2CC[C@@H](c3nc[nH]n3)C2)c1[N+](=O)[O-] ZINC000425290020 235281850 /nfs/dbraw/zinc/28/18/50/235281850.db2.gz WMMKKHXOFQBNDQ-MRVPVSSYSA-N 0 1 277.288 0.749 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCc2[nH]nnc2C1 ZINC000346058771 355866475 /nfs/dbraw/zinc/86/64/75/355866475.db2.gz NBVOHZPFNRSWGS-UHFFFAOYSA-N 0 1 262.229 0.240 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2nn[nH]n2)CC1 ZINC000348290855 355905416 /nfs/dbraw/zinc/90/54/16/355905416.db2.gz GTONFUNWLQDELC-UHFFFAOYSA-N 0 1 289.255 0.230 20 5 CCBDMN CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1COC[C@@H]1O ZINC000352802622 356083474 /nfs/dbraw/zinc/08/34/74/356083474.db2.gz MFGNOFRGNDFMSB-STQMWFEESA-N 0 1 282.296 0.665 20 5 CCBDMN C[C@@H]1CCOCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000362233105 138051930 /nfs/dbraw/zinc/05/19/30/138051930.db2.gz DUXRDIYLJJZZGM-SNVBAGLBSA-N 0 1 254.290 0.902 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000363326231 138089328 /nfs/dbraw/zinc/08/93/28/138089328.db2.gz SSZBIQPEKLOAFS-AGIUHOORSA-N 0 1 296.327 0.406 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000363326232 138089691 /nfs/dbraw/zinc/08/96/91/138089691.db2.gz SSZBIQPEKLOAFS-FRRDWIJNSA-N 0 1 296.327 0.406 20 5 CCBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@](C)(O)CO ZINC000619464287 366263109 /nfs/dbraw/zinc/26/31/09/366263109.db2.gz MBQFJTWGQNJFHL-ZDUSSCGKSA-N 0 1 284.312 0.826 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCN(C)CC1 ZINC000619522361 366274600 /nfs/dbraw/zinc/27/46/00/366274600.db2.gz WKGIBZNJYHVDAO-UHFFFAOYSA-N 0 1 266.301 0.711 20 5 CCBDMN CC(=O)c1ccc(NCc2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000609496784 363500151 /nfs/dbraw/zinc/50/01/51/363500151.db2.gz RLESPJQUCBZRKW-UHFFFAOYSA-N 0 1 262.229 0.923 20 5 CCBDMN CC(C)(C(=O)NCc1nn[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000610064904 363534587 /nfs/dbraw/zinc/53/45/87/363534587.db2.gz NZRDMGUYLUXBFK-UHFFFAOYSA-N 0 1 290.283 0.702 20 5 CCBDMN NC(=O)N1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356205136 356722730 /nfs/dbraw/zinc/72/27/30/356722730.db2.gz OSIYSRQGQVTFDR-MRVPVSSYSA-N 0 1 294.267 0.183 20 5 CCBDMN Cn1cnc(=NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[nH]1 ZINC000356403779 356761346 /nfs/dbraw/zinc/76/13/46/356761346.db2.gz AEPLJDQNATYUSY-UHFFFAOYSA-N 0 1 286.251 0.879 20 5 CCBDMN [NH3+]C1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000359319587 356802241 /nfs/dbraw/zinc/80/22/41/356802241.db2.gz ZFRNUOJXSRCNPM-UHFFFAOYSA-N 0 1 277.327 0.424 20 5 CCBDMN COCCN1CCCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000378030050 357641582 /nfs/dbraw/zinc/64/15/82/357641582.db2.gz GPNUHIDQZCTBPS-UHFFFAOYSA-N 0 1 297.359 0.795 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCCOCC1 ZINC000378309857 357670169 /nfs/dbraw/zinc/67/01/69/357670169.db2.gz JEQYVKVBAVOPTR-UHFFFAOYSA-N 0 1 267.285 0.479 20 5 CCBDMN C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000294345952 199006307 /nfs/dbraw/zinc/00/63/07/199006307.db2.gz UFIYXWAWRWSRFV-MRVPVSSYSA-N 0 1 282.300 0.623 20 5 CCBDMN CO[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000294536606 199076613 /nfs/dbraw/zinc/07/66/13/199076613.db2.gz LNJMESXSKVFWST-QMMMGPOBSA-N 0 1 254.246 0.473 20 5 CCBDMN O=C(NC[C@@H]1CCCCN1CCO)c1cc([N+](=O)[O-])c[nH]1 ZINC000452795201 236261633 /nfs/dbraw/zinc/26/16/33/236261633.db2.gz JJHQRRVCIXHHMD-JTQLQIEISA-N 0 1 296.327 0.500 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408441087 358096132 /nfs/dbraw/zinc/09/61/32/358096132.db2.gz GUCDRTHIKVGRHD-BQBZGAKWSA-N 0 1 268.273 0.476 20 5 CCBDMN Cc1c(CC(=O)NCc2nn[nH]n2)cccc1[N+](=O)[O-] ZINC000610970305 363640272 /nfs/dbraw/zinc/64/02/72/363640272.db2.gz KDFRXFKRGHTNNI-UHFFFAOYSA-N 0 1 276.256 0.275 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](CCO)C2)c1[N+](=O)[O-] ZINC000610927617 363632706 /nfs/dbraw/zinc/63/27/06/363632706.db2.gz LJJJNLRLQATKPC-SECBINFHSA-N 0 1 282.300 0.861 20 5 CCBDMN NC(=O)C[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000589209339 359370674 /nfs/dbraw/zinc/37/06/74/359370674.db2.gz GDSXQRFHCBZDTH-VIFPVBQESA-N 0 1 279.296 0.998 20 5 CCBDMN CCN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000611088046 363657409 /nfs/dbraw/zinc/65/74/09/363657409.db2.gz AIPCXDJUBBFZFO-LLVKDONJSA-N 0 1 295.343 0.734 20 5 CCBDMN O=C(NCCO[C@H]1CCCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000590385040 359449817 /nfs/dbraw/zinc/44/98/17/359449817.db2.gz JJIGLGLFZDVROA-VIFPVBQESA-N 0 1 284.272 0.591 20 5 CCBDMN C[C@H](O)CN1CCN(c2ccc(N)c([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000590579958 359488853 /nfs/dbraw/zinc/48/88/53/359488853.db2.gz ADIOVIVXNJPBDG-UWVGGRQHSA-N 0 1 295.343 0.463 20 5 CCBDMN COc1ncncc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000592365970 359825673 /nfs/dbraw/zinc/82/56/73/359825673.db2.gz MQNUWEGTDUYEJJ-UHFFFAOYSA-N 0 1 278.272 0.380 20 5 CCBDMN CC(C)Oc1nc(NCc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000594545307 360327976 /nfs/dbraw/zinc/32/79/76/360327976.db2.gz NSMKDGQQVAVGSC-UHFFFAOYSA-N 0 1 278.272 0.929 20 5 CCBDMN C[C@H](CCO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756895 360377309 /nfs/dbraw/zinc/37/73/09/360377309.db2.gz DFBKJVSJWGYAIP-SSDOTTSWSA-N 0 1 275.286 0.039 20 5 CCBDMN CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)C(=O)[O-] ZINC000595883241 360689500 /nfs/dbraw/zinc/68/95/00/360689500.db2.gz VUFGGYIXGAIJLT-QMMMGPOBSA-N 0 1 256.262 0.586 20 5 CCBDMN O=C(NC1CCSCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000179147294 189172861 /nfs/dbraw/zinc/17/28/61/189172861.db2.gz YZEQZBGKZMZYGY-UHFFFAOYSA-N 0 1 256.287 0.943 20 5 CCBDMN NC(=O)c1cc(NCCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000596216891 360839243 /nfs/dbraw/zinc/83/92/43/360839243.db2.gz VOMLFMUCLSHVJS-UHFFFAOYSA-N 0 1 290.283 0.857 20 5 CCBDMN CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597945983 361288328 /nfs/dbraw/zinc/28/83/28/361288328.db2.gz LPESSRWXMXEUDA-JTQLQIEISA-N 0 1 294.311 0.862 20 5 CCBDMN CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000597945983 361288331 /nfs/dbraw/zinc/28/83/31/361288331.db2.gz LPESSRWXMXEUDA-JTQLQIEISA-N 0 1 294.311 0.862 20 5 CCBDMN CC[C@H]1CN(C)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000563990207 291262579 /nfs/dbraw/zinc/26/25/79/291262579.db2.gz RTTDOLUNLNQBMI-JTQLQIEISA-N 0 1 294.311 0.862 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H]3COC[C@H]3C2)c1[N+](=O)[O-] ZINC000598394343 361403971 /nfs/dbraw/zinc/40/39/71/361403971.db2.gz NCUGOLJOYHPWFL-RKDXNWHRSA-N 0 1 294.311 0.989 20 5 CCBDMN [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000598668509 361477212 /nfs/dbraw/zinc/47/72/12/361477212.db2.gz VYCLMIMMBJUJRT-ISVAXAHUSA-N 0 1 292.295 0.649 20 5 CCBDMN CC(C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599204136 361611415 /nfs/dbraw/zinc/61/14/15/361611415.db2.gz SBSRZRXJNVIKRJ-UHFFFAOYSA-N 0 1 262.291 0.263 20 5 CCBDMN O=[N+]([O-])c1ncccc1NCCN1CC[C@@H](O)C1 ZINC000599175677 361598689 /nfs/dbraw/zinc/59/86/89/361598689.db2.gz HNPNSTBFQLHAFZ-SECBINFHSA-N 0 1 252.274 0.468 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CC[C@@H](O)C1 ZINC000599175990 361600135 /nfs/dbraw/zinc/60/01/35/361600135.db2.gz MQUDAKBWRVXKJG-SNVBAGLBSA-N 0 1 283.332 0.598 20 5 CCBDMN CN(CC[N@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000184501973 189387846 /nfs/dbraw/zinc/38/78/46/189387846.db2.gz GZMCRKSZIUIXRY-UHFFFAOYSA-N 0 1 294.311 0.862 20 5 CCBDMN CN(CC[N@@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000184501973 189387847 /nfs/dbraw/zinc/38/78/47/189387847.db2.gz GZMCRKSZIUIXRY-UHFFFAOYSA-N 0 1 294.311 0.862 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](n3cccn3)C2)c1[N+](=O)[O-] ZINC000331649447 204042740 /nfs/dbraw/zinc/04/27/40/204042740.db2.gz WDHNHSKKHMYBEV-SECBINFHSA-N 0 1 290.283 0.910 20 5 CCBDMN COCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000264445591 190110079 /nfs/dbraw/zinc/11/00/79/190110079.db2.gz CIMPLRRZQRWQAZ-VIFPVBQESA-N 0 1 282.300 0.373 20 5 CCBDMN CNC(=O)[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000264703196 190130007 /nfs/dbraw/zinc/13/00/07/190130007.db2.gz JWLXGNUOYUVDOF-MRVPVSSYSA-N 0 1 295.299 0.225 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@](O)(CO)C1 ZINC000459650220 249049080 /nfs/dbraw/zinc/04/90/80/249049080.db2.gz SQEYGUKVNFBEAV-CQSZACIVSA-N 0 1 296.323 0.793 20 5 CCBDMN O=[N+]([O-])c1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1 ZINC000186504847 388838633 /nfs/dbraw/zinc/83/86/33/388838633.db2.gz XUISKSFLCWZTHS-RYUDHWBXSA-N 0 1 252.270 0.522 20 5 CCBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@@H](O)C[C@H]2CO)c1 ZINC000186491832 388839008 /nfs/dbraw/zinc/83/90/08/388839008.db2.gz FURRCTLVIIWOOV-AVGNSLFASA-N 0 1 282.296 0.056 20 5 CCBDMN CNS(=O)(=O)CCNCc1ccc([N+](=O)[O-])cc1C ZINC000190303621 388987814 /nfs/dbraw/zinc/98/78/14/388987814.db2.gz WLNINOFKGOILHY-UHFFFAOYSA-N 0 1 287.341 0.542 20 5 CCBDMN Cc1cc(N2C[C@@H](O)[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000235973836 389166965 /nfs/dbraw/zinc/16/69/65/389166965.db2.gz HZIWZEHXKNDVPU-OKILXGFUSA-N 0 1 289.291 0.993 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000157389808 389331469 /nfs/dbraw/zinc/33/14/69/389331469.db2.gz WJZYZDNABUTURD-UHFFFAOYSA-N 0 1 276.256 0.567 20 5 CCBDMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262619071 389290317 /nfs/dbraw/zinc/29/03/17/389290317.db2.gz DLPVYPFJTGMERK-IUCAKERBSA-N 0 1 280.284 0.949 20 5 CCBDMN C[C@@H]1C[C@]2(CCO1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C[C@H](C)O2 ZINC000369182439 389391313 /nfs/dbraw/zinc/39/13/13/389391313.db2.gz HGLGNYJKKLWNNM-CYRBOEJBSA-N 0 1 298.339 0.837 20 5 CCBDMN CC(C)(O)C(C)(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000271953645 389450733 /nfs/dbraw/zinc/45/07/33/389450733.db2.gz CAASRIPCKLIXTH-UHFFFAOYSA-N 0 1 256.262 0.597 20 5 CCBDMN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1nnc[nH]1 ZINC000175932270 389550053 /nfs/dbraw/zinc/55/00/53/389550053.db2.gz CMYQBUBLEPFJRH-ZCFIWIBFSA-N 0 1 276.256 0.786 20 5 CCBDMN CSc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])n[nH]2)n1 ZINC000351964709 389726961 /nfs/dbraw/zinc/72/69/61/389726961.db2.gz NYQJDZNYDSMKOE-UHFFFAOYSA-N 0 1 269.246 0.410 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000352013943 389735503 /nfs/dbraw/zinc/73/55/03/389735503.db2.gz KZOLJDIEVPSORT-UWVGGRQHSA-N 0 1 295.343 0.651 20 5 CCBDMN COCCN(CC(=O)OC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000353903059 389856399 /nfs/dbraw/zinc/85/63/99/389856399.db2.gz VPWITUDQVSGBLS-UHFFFAOYSA-N 0 1 298.295 0.922 20 5 CCBDMN COCCO[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000444471696 389907124 /nfs/dbraw/zinc/90/71/24/389907124.db2.gz GCIVMHYWBMKWND-VIFPVBQESA-N 0 1 298.299 0.504 20 5 CCBDMN CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1O ZINC000446059176 389929018 /nfs/dbraw/zinc/92/90/18/389929018.db2.gz IBSZQOXODZSKCV-NSHDSACASA-N 0 1 268.317 0.884 20 5 CCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC000420448287 390005729 /nfs/dbraw/zinc/00/57/29/390005729.db2.gz WMAVZEMOEUWHEI-KPCSLPGQSA-N 0 1 289.338 0.152 20 5 CCBDMN CCc1nc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])n[nH]1 ZINC000479163045 390081190 /nfs/dbraw/zinc/08/11/90/390081190.db2.gz RSXHXAFBSDJHLM-UHFFFAOYSA-N 0 1 265.233 0.559 20 5 CCBDMN CCc1nc(NC(=O)c2cc([N+](=O)[O-])cn2C)n[nH]1 ZINC000537595608 390180211 /nfs/dbraw/zinc/18/02/11/390180211.db2.gz QGZSWXWLSSDZGF-UHFFFAOYSA-N 0 1 264.245 0.866 20 5 CCBDMN CCc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])cn2C)n1 ZINC000537595608 390180214 /nfs/dbraw/zinc/18/02/14/390180214.db2.gz QGZSWXWLSSDZGF-UHFFFAOYSA-N 0 1 264.245 0.866 20 5 CCBDMN COC(=O)N1CCC(COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000496040733 390287963 /nfs/dbraw/zinc/28/79/63/390287963.db2.gz KRBJPFFZHPEXHS-NXEZZACHSA-N 0 1 286.284 0.673 20 5 CCBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1c[nH]nc1[N+](=O)[O-] ZINC000572426248 390783305 /nfs/dbraw/zinc/78/33/05/390783305.db2.gz ZZWBBERSKTYKMJ-UHFFFAOYSA-N 0 1 299.250 0.573 20 5 CCBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000578109492 390864700 /nfs/dbraw/zinc/86/47/00/390864700.db2.gz KMIJMESBCCAXBQ-WCQYABFASA-N 0 1 266.297 0.770 20 5 CCBDMN CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000577868451 390849872 /nfs/dbraw/zinc/84/98/72/390849872.db2.gz VUAJCZHSRNJBLB-MRVPVSSYSA-N 0 1 282.300 0.943 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CCc2cnccn2)c1[N+](=O)[O-] ZINC000356523060 144010889 /nfs/dbraw/zinc/01/08/89/144010889.db2.gz MTMBZLZOVJMBLH-UHFFFAOYSA-N 0 1 290.283 0.731 20 5 CCBDMN O=C(NC[C@H]1CC[C@@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000356629739 144021108 /nfs/dbraw/zinc/02/11/08/144021108.db2.gz VVGYMNASKBDBMU-NKWVEPMBSA-N 0 1 254.246 0.209 20 5 CCBDMN O=C(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)NCC1CC1 ZINC000356786132 144033071 /nfs/dbraw/zinc/03/30/71/144033071.db2.gz QRDUFMNNLKGSIE-UHFFFAOYSA-N 0 1 293.279 0.556 20 5 CCBDMN COC(=O)c1cnc(NCc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000357706803 144114245 /nfs/dbraw/zinc/11/42/45/144114245.db2.gz KMWNFKCFJCVMLI-UHFFFAOYSA-N 0 1 278.228 0.507 20 5 CCBDMN Cc1nnc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[nH]1 ZINC000171550146 335070172 /nfs/dbraw/zinc/07/01/72/335070172.db2.gz PDCRHKJIMZOAGE-UHFFFAOYSA-N 0 1 280.219 0.995 20 5 CCBDMN Cc1n[nH]c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC000171550146 335070173 /nfs/dbraw/zinc/07/01/73/335070173.db2.gz PDCRHKJIMZOAGE-UHFFFAOYSA-N 0 1 280.219 0.995 20 5 CCBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)CN1C ZINC000351504290 274369643 /nfs/dbraw/zinc/36/96/43/274369643.db2.gz IUVFHFMINNTHDA-HTQZYQBOSA-N 0 1 266.305 0.326 20 5 CCBDMN CC(C)(O)CN1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000070938438 273507926 /nfs/dbraw/zinc/50/79/26/273507926.db2.gz VPEBBEJEMASXDN-UHFFFAOYSA-N 0 1 280.328 0.883 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H](O)C[C@@H]1CO ZINC000330453458 280369111 /nfs/dbraw/zinc/36/91/11/280369111.db2.gz LKKKLZHMVPPSDM-KOLCDFICSA-N 0 1 268.269 0.228 20 5 CCBDMN C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000272408279 290196037 /nfs/dbraw/zinc/19/60/37/290196037.db2.gz YOJGTVKRRJWDIM-SECBINFHSA-N 0 1 279.296 0.982 20 5 CCBDMN COCC[C@@]1(NCc2c([N+](=O)[O-])ncn2C)CCOC1 ZINC000579552177 335798371 /nfs/dbraw/zinc/79/83/71/335798371.db2.gz BAIKWEOOGLTPJS-GFCCVEGCSA-N 0 1 284.316 0.614 20 5 CCBDMN COc1cc(CNC(CO)CO)ccc1[N+](=O)[O-] ZINC000579854848 335910289 /nfs/dbraw/zinc/91/02/89/335910289.db2.gz MWKJUPBXEQFKEV-UHFFFAOYSA-N 0 1 256.258 0.046 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2nccs2)c1 ZINC000581602890 336110173 /nfs/dbraw/zinc/11/01/73/336110173.db2.gz YTNVPWVKTCEJOB-SECBINFHSA-N 0 1 283.313 0.399 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CCCC2)C1 ZINC000366293619 526509047 /nfs/dbraw/zinc/50/90/47/526509047.db2.gz HPVVVVDDFHTMRE-NXEZZACHSA-N 0 1 254.286 0.823 20 5 CCBDMN Cc1nn(CCC(=O)Nc2c[nH]nn2)c(C)c1[N+](=O)[O-] ZINC000789927791 581164304 /nfs/dbraw/zinc/16/43/04/581164304.db2.gz HSKFYKMEVONVHX-UHFFFAOYSA-N 0 1 279.260 0.555 20 5 CCBDMN COC(=O)c1cc(C(=O)Nc2c[nH]nn2)cc([N+](=O)[O-])c1 ZINC000789928463 581164836 /nfs/dbraw/zinc/16/48/36/581164836.db2.gz ZGKKVCYHGGSGOT-UHFFFAOYSA-N 0 1 291.223 0.752 20 5 CCBDMN Cc1noc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000726363367 581238309 /nfs/dbraw/zinc/23/83/09/581238309.db2.gz KDTQZUDDGQHOTD-UHFFFAOYSA-N 0 1 252.186 0.971 20 5 CCBDMN NC(=O)c1cccnc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000793265544 581290753 /nfs/dbraw/zinc/29/07/53/581290753.db2.gz GIQQLROQOLEFPK-UHFFFAOYSA-N 0 1 290.235 0.774 20 5 CCBDMN O=C(OCCOCCn1cccn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000733693616 581518001 /nfs/dbraw/zinc/51/80/01/581518001.db2.gz HFRQGTJSGPGEIQ-UHFFFAOYSA-N 0 1 294.267 0.993 20 5 CCBDMN CC(=CC(=O)NCc1nn[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000752273376 581542753 /nfs/dbraw/zinc/54/27/53/581542753.db2.gz AOCPTQDCPWWHSR-VURMDHGXSA-N 0 1 288.267 0.828 20 5 CCBDMN CCc1nc(COC(=O)c2c([N+](=O)[O-])c(C)nn2C)n[nH]1 ZINC000754794289 581610375 /nfs/dbraw/zinc/61/03/75/581610375.db2.gz UDVXOXOKXYJJQF-UHFFFAOYSA-N 0 1 294.271 0.674 20 5 CCBDMN CCc1nc(COC(=O)Cn2cc([N+](=O)[O-])nc2C)n[nH]1 ZINC000754801780 581611117 /nfs/dbraw/zinc/61/11/17/581611117.db2.gz XYCZYLVMRGNSJQ-UHFFFAOYSA-N 0 1 294.271 0.524 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1CCO ZINC000773522535 581931165 /nfs/dbraw/zinc/93/11/65/581931165.db2.gz VERDXWSDWPSAEF-JTQLQIEISA-N 0 1 296.279 0.524 20 5 CCBDMN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1c[nH]nn1 ZINC000789925856 582037182 /nfs/dbraw/zinc/03/71/82/582037182.db2.gz LNQGGLFHKBNFKL-UHFFFAOYSA-N 0 1 263.213 0.730 20 5 CCBDMN O=C([O-])[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000738538878 582060559 /nfs/dbraw/zinc/06/05/59/582060559.db2.gz XUCQUCVAAQLBGW-VIFPVBQESA-N 0 1 268.273 0.588 20 5 CCBDMN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCc1c[nH]nn1 ZINC000823629952 606301427 /nfs/dbraw/zinc/30/14/27/606301427.db2.gz NPCQXIKDDHLQGY-UHFFFAOYSA-N 0 1 287.243 0.505 20 5 CCBDMN C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[NH+](C)C ZINC000820280434 607166480 /nfs/dbraw/zinc/16/64/80/607166480.db2.gz GCLOUVLPCYMJIH-SSDOTTSWSA-N 0 1 292.303 0.532 20 5 CCBDMN C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[NH+](C)C ZINC000820280434 607166481 /nfs/dbraw/zinc/16/64/81/607166481.db2.gz GCLOUVLPCYMJIH-SSDOTTSWSA-N 0 1 292.303 0.532 20 5 CCBDMN CC(C)(NC[C@@H](O)CO)c1ccccc1[N+](=O)[O-] ZINC000930554331 614170515 /nfs/dbraw/zinc/17/05/15/614170515.db2.gz IYLYLEBSHDIKOT-SECBINFHSA-N 0 1 254.286 0.773 20 5 CCBDMN COc1ccccc1C[C@@](C)(CO)NCC[N+](=O)[O-] ZINC000931601454 617315831 /nfs/dbraw/zinc/31/58/31/617315831.db2.gz PDUWDNOAOJEYJV-ZDUSSCGKSA-N 0 1 268.313 0.855 20 5 CCBDMN CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956368852 613799877 /nfs/dbraw/zinc/79/98/77/613799877.db2.gz OHIBZZGZFUYFRO-NXEZZACHSA-N 0 1 269.301 0.169 20 5 CCBDMN CC(C)(C)CC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839513639 613902741 /nfs/dbraw/zinc/90/27/41/613902741.db2.gz NGLJZEJLQIUVMH-GHMZBOCLSA-N 0 1 297.355 0.759 20 5 CCBDMN CC(C)OC(=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000899568731 613985522 /nfs/dbraw/zinc/98/55/22/613985522.db2.gz DEJHNEISJQWIRO-GHMZBOCLSA-N 0 1 284.312 0.842 20 5 CCBDMN CC(C)CC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000830657788 613990625 /nfs/dbraw/zinc/99/06/25/613990625.db2.gz KWCGCBPLNBVAFS-VXGBXAGGSA-N 0 1 297.355 0.759 20 5 CCBDMN CC(C)CO[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839703901 614172637 /nfs/dbraw/zinc/17/26/37/614172637.db2.gz PZEBFFIIQWPSPC-GMTAPVOTSA-N 0 1 256.302 0.925 20 5 CCBDMN CC(C)(O)CN1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885983633 614188362 /nfs/dbraw/zinc/18/83/62/614188362.db2.gz KZXIQUUDYGEEIU-UHFFFAOYSA-N 0 1 294.355 0.878 20 5 CCBDMN CC(C)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCOCC1 ZINC000839484735 614209683 /nfs/dbraw/zinc/20/96/83/614209683.db2.gz GRZBFJPIWPMMNV-UTUOFQBUSA-N 0 1 285.344 0.125 20 5 CCBDMN CC(C)[C@]1(CO)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839780830 614294239 /nfs/dbraw/zinc/29/42/39/614294239.db2.gz XAVVCQNVBGJADP-NQBHXWOUSA-N 0 1 270.329 0.909 20 5 CCBDMN CC(C)N(C[C@H]1CCC(=O)N1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840556562 614299027 /nfs/dbraw/zinc/29/90/27/614299027.db2.gz QWSPLTJRMWYWFS-OPRDCNLKSA-N 0 1 269.301 0.167 20 5 CCBDMN CC1(C(=O)N2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000941007011 614427470 /nfs/dbraw/zinc/42/74/70/614427470.db2.gz AGEOGFUEZIIBGM-GHMZBOCLSA-N 0 1 295.339 0.513 20 5 CCBDMN CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CCN(C)C1 ZINC000855359920 614718520 /nfs/dbraw/zinc/71/85/20/614718520.db2.gz FNGOOWOSHZTJRU-VIFPVBQESA-N 0 1 293.327 0.738 20 5 CCBDMN CCN(C)C(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000839784766 614845465 /nfs/dbraw/zinc/84/54/65/614845465.db2.gz ZWMNYVNQILFZAY-BBBLOLIVSA-N 0 1 271.317 0.271 20 5 CCBDMN CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840471944 615287628 /nfs/dbraw/zinc/28/76/28/615287628.db2.gz XNVJVMQTLCFHJV-DOLQZWNJSA-N 0 1 270.285 0.500 20 5 CCBDMN CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000898551876 615366510 /nfs/dbraw/zinc/36/65/10/615366510.db2.gz FCRMUFHQCSPREF-ZYUZMQFOSA-N 0 1 288.275 0.401 20 5 CCBDMN CCN1[C@H](C)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000880608884 615450003 /nfs/dbraw/zinc/45/00/03/615450003.db2.gz NFHSTWKFICMPPE-PHIMTYICSA-N 0 1 295.343 0.732 20 5 CCBDMN CCO[C@@H]1C[C@](O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839733978 615452673 /nfs/dbraw/zinc/45/26/73/615452673.db2.gz MUBYIQHFFFENFF-PRFIWBCESA-N 0 1 286.328 0.334 20 5 CCBDMN CCNC(=O)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837655363 615459033 /nfs/dbraw/zinc/45/90/33/615459033.db2.gz WLNDYDNAJJAXBJ-UHFFFAOYSA-N 0 1 282.252 0.870 20 5 CCBDMN CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000839503281 615465910 /nfs/dbraw/zinc/46/59/10/615465910.db2.gz HYLZCHFEKHUEKA-FNCVBFRFSA-N 0 1 258.274 0.356 20 5 CCBDMN CCn1ncc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000862382857 615707156 /nfs/dbraw/zinc/70/71/56/615707156.db2.gz ATIYVEOAGGYODE-UHFFFAOYSA-N 0 1 291.267 0.842 20 5 CCBDMN CN(C)C(=O)[C@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000857636662 615833612 /nfs/dbraw/zinc/83/36/12/615833612.db2.gz SQNXVYBAAYTTMH-KCRUCZTKSA-N 0 1 297.233 0.177 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2CC=CC2)C1 ZINC000954235304 615867368 /nfs/dbraw/zinc/86/73/68/615867368.db2.gz TWGMDUHRHKBAGW-VXGBXAGGSA-N 0 1 293.323 0.287 20 5 CCBDMN CC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000839765459 615902006 /nfs/dbraw/zinc/90/20/06/615902006.db2.gz SAZGHIPJSJUHFU-AXTSPUMRSA-N 0 1 290.341 0.076 20 5 CCBDMN CC[C@H]1CN(C)CCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000820721622 615909817 /nfs/dbraw/zinc/90/98/17/615909817.db2.gz JJVDURAFMJQUIY-NSHDSACASA-N 0 1 295.343 0.652 20 5 CCBDMN CCn1cc([C@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC000861092181 616014125 /nfs/dbraw/zinc/01/41/25/616014125.db2.gz QAEXGXWDAWFYQB-LKEWCRSYSA-N 0 1 254.246 0.567 20 5 CCBDMN CN(CCc1nccs1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713532 616126832 /nfs/dbraw/zinc/12/68/32/616126832.db2.gz RRRARTVNRJTSRF-HTQZYQBOSA-N 0 1 255.299 0.809 20 5 CCBDMN COC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840282482 616648388 /nfs/dbraw/zinc/64/83/88/616648388.db2.gz MSBAFPQTSGAMGX-IWSPIJDZSA-N 0 1 256.258 0.206 20 5 CCBDMN CO[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000881688791 616927585 /nfs/dbraw/zinc/92/75/85/616927585.db2.gz IDRWBGYAFRKQMY-BHNWBGBOSA-N 0 1 282.218 0.831 20 5 CCBDMN COC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccnc1 ZINC000848161291 617013205 /nfs/dbraw/zinc/01/32/05/617013205.db2.gz VYASXFKWWQGARI-BBBLOLIVSA-N 0 1 279.252 0.077 20 5 CCBDMN COCCN(Cc1cn(C)nc1[N+](=O)[O-])C1CCOCC1 ZINC000879711900 617029556 /nfs/dbraw/zinc/02/95/56/617029556.db2.gz LNWJGCMEOUXHNS-UHFFFAOYSA-N 0 1 298.343 0.956 20 5 CCBDMN CON(C)C(=O)[C@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863587027 617069539 /nfs/dbraw/zinc/06/95/39/617069539.db2.gz HXAJSNYGNUDZRU-JOYOIKCWSA-N 0 1 297.311 0.626 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@](O)(C2CC2)C1 ZINC000855691122 625474043 /nfs/dbraw/zinc/47/40/43/625474043.db2.gz XVCVGJMKZWLTPU-FOGDFJRCSA-N 0 1 254.286 0.415 20 5 CCBDMN O=C(OCc1nc(-c2ccccn2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC000840671942 631673196 /nfs/dbraw/zinc/67/31/96/631673196.db2.gz HVGCPHZOFUSAJK-VXNVDRBHSA-N 0 1 290.235 0.840 20 5 CCBDMN NC(=O)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840672653 631702241 /nfs/dbraw/zinc/70/22/41/631702241.db2.gz NQBSMXODWDRICV-OPRDCNLKSA-N 0 1 264.237 0.421 20 5 CCBDMN C[C@H](Nc1c([N+](=O)[O-])ncn1C)[C@H]1C[N@@H+](C)CCN1C ZINC000895249461 632035370 /nfs/dbraw/zinc/03/53/70/632035370.db2.gz TXGSFQCZEGWUMB-VHSXEESVSA-N 0 1 282.348 0.375 20 5 CCBDMN O=C(CC1CCC1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990630554 633570881 /nfs/dbraw/zinc/57/08/81/633570881.db2.gz VVJRYIFRQSPIBB-GHMZBOCLSA-N 0 1 281.312 0.169 20 5 CCBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CN(C)CCN1C ZINC000900803534 634089803 /nfs/dbraw/zinc/08/98/03/634089803.db2.gz JXMSLMLUFPQZBQ-UWVGGRQHSA-N 0 1 296.327 0.552 20 5 CCBDMN O=C(CC1CCCC1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991281383 635832737 /nfs/dbraw/zinc/83/27/37/635832737.db2.gz SLWSUKHCSHUUMC-VXGBXAGGSA-N 0 1 295.339 0.559 20 5 CCBDMN CC1(C)CC(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000991298508 635878162 /nfs/dbraw/zinc/87/81/62/635878162.db2.gz PMOJFQNRNNWZQH-GHMZBOCLSA-N 0 1 295.339 0.415 20 5 CCBDMN CC1(CC(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001001805684 639337963 /nfs/dbraw/zinc/33/79/63/639337963.db2.gz QLLYRKXLNJIHPY-GHMZBOCLSA-N 0 1 295.339 0.416 20 5 CCBDMN C[C@@H](COCC(F)(F)F)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839595091 640345811 /nfs/dbraw/zinc/34/58/11/640345811.db2.gz DLTMNNKNZDYPHY-RRKCRQDMSA-N 0 1 270.207 0.735 20 5 CCBDMN NC(=O)c1cccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839627947 640346632 /nfs/dbraw/zinc/34/66/32/640346632.db2.gz JUEYRSAAXHCSAT-GHMZBOCLSA-N 0 1 277.280 0.109 20 5 CCBDMN C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839685796 640349469 /nfs/dbraw/zinc/34/94/69/640349469.db2.gz IPAWQGJVNIRYIP-OXWCULBSSA-N 0 1 260.315 0.020 20 5 CCBDMN CO[C@@]1(C)C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839694637 640351114 /nfs/dbraw/zinc/35/11/14/640351114.db2.gz QXRQEUISVLXXOU-HNBLOZHYSA-N 0 1 256.302 0.971 20 5 CCBDMN O=C(NC[C@H](CO)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839702220 640351963 /nfs/dbraw/zinc/35/19/63/640351963.db2.gz VQFMSMWHQGVXAO-IJLUTSLNSA-N 0 1 264.281 0.544 20 5 CCBDMN Cc1ccccc1[C@@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839681392 640353369 /nfs/dbraw/zinc/35/33/69/640353369.db2.gz WAZUQKWMGQAFPB-UTUOFQBUSA-N 0 1 264.281 0.810 20 5 CCBDMN O=C(NCCOc1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839683369 640355326 /nfs/dbraw/zinc/35/53/26/640355326.db2.gz HBMPGEWRPRQYFZ-NXEZZACHSA-N 0 1 251.242 0.242 20 5 CCBDMN C[C@H](c1ccccc1)[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726199 640357756 /nfs/dbraw/zinc/35/77/56/640357756.db2.gz VOYQAHKMHWHGMO-OJAKKHQRSA-N 0 1 278.308 0.932 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2cccc(F)n2)CC1 ZINC000839781875 640364583 /nfs/dbraw/zinc/36/45/83/640364583.db2.gz AXXHWIREPFHOSC-NXEZZACHSA-N 0 1 294.286 0.535 20 5 CCBDMN Cc1ccc(C[C@@H](CO)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC000839790560 640365943 /nfs/dbraw/zinc/36/59/43/640365943.db2.gz CTMSZPAPBYUINW-BFHYXJOUSA-N 0 1 292.335 0.988 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000808751688 640878105 /nfs/dbraw/zinc/87/81/05/640878105.db2.gz HHMDDKQWMCVAHA-IACUBPJLSA-N 0 1 296.323 0.303 20 5 CCBDMN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000819058567 641377363 /nfs/dbraw/zinc/37/73/63/641377363.db2.gz MRGHFBZSVRKBHL-BXKDBHETSA-N 0 1 281.312 0.695 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC000840401498 641456393 /nfs/dbraw/zinc/45/63/93/641456393.db2.gz LADABKGBSKUONL-MVWJERBFSA-N 0 1 276.292 0.968 20 5 CCBDMN O=C(NCCO)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000831425202 642362750 /nfs/dbraw/zinc/36/27/50/642362750.db2.gz YBAMLXNYHPVFCG-GHMZBOCLSA-N 0 1 293.279 0.012 20 5 CCBDMN O=C(CN1CCCC1=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837404439 642741607 /nfs/dbraw/zinc/74/16/07/642741607.db2.gz LGWCMSPIYGFEQN-UHFFFAOYSA-N 0 1 294.263 0.966 20 5 CCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCCCCC1 ZINC000840672034 642785199 /nfs/dbraw/zinc/78/51/99/642785199.db2.gz ILUNNVJILZQERJ-GMTAPVOTSA-N 0 1 284.312 0.986 20 5 CCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])OCC(F)(F)F ZINC000840673394 642786077 /nfs/dbraw/zinc/78/60/77/642786077.db2.gz NJVXEHWWRBSXKR-RFZPGFLSSA-N 0 1 271.147 0.300 20 5 CCBDMN Cn1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c(Cl)n1 ZINC000841244019 642809619 /nfs/dbraw/zinc/80/96/19/642809619.db2.gz LZGBYXFVMFFXAM-RNFRBKRXSA-N 0 1 259.649 0.782 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1C1CCC1 ZINC000843701762 643102094 /nfs/dbraw/zinc/10/20/94/643102094.db2.gz XZFPLMCHVFKUGA-MXWKQRLJSA-N 0 1 254.286 0.679 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC2(CCC2)O1 ZINC000843730821 643103784 /nfs/dbraw/zinc/10/37/84/643103784.db2.gz KQRNAJBIZDBVAQ-OPRDCNLKSA-N 0 1 254.286 0.822 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000855335424 644305141 /nfs/dbraw/zinc/30/51/41/644305141.db2.gz NPGHXZFFKCZQOO-RCZSTQMZSA-N 0 1 254.286 0.271 20 5 CCBDMN O=C(CCCCc1cn[nH]n1)OCCC[N+](=O)[O-] ZINC000860921773 644840289 /nfs/dbraw/zinc/84/02/89/644840289.db2.gz XBBFGAVRPNWKSX-UHFFFAOYSA-N 0 1 256.262 0.728 20 5 CCBDMN Nc1noc2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])ccc12 ZINC000862022556 644968047 /nfs/dbraw/zinc/96/80/47/644968047.db2.gz DAMDZWCIHMWDNP-RKDXNWHRSA-N 0 1 276.252 0.691 20 5 CCBDMN O=C(NC[C@H](n1cccn1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000862406637 644997893 /nfs/dbraw/zinc/99/78/93/644997893.db2.gz PVAOBBGEJDYYLH-PRJMDXOYSA-N 0 1 292.217 0.768 20 5 CCBDMN O=[N+]([O-])c1cnc(N2C[C@@H]3CCCN3C[C@@H]2CO)s1 ZINC000872757419 646319123 /nfs/dbraw/zinc/31/91/23/646319123.db2.gz BVELYQKJVPREGJ-DTWKUNHWSA-N 0 1 284.341 0.697 20 5 CCBDMN Cc1cc(F)cc(C(=O)NC[C@H]2COCCN2)c1[N+](=O)[O-] ZINC000877039546 646720195 /nfs/dbraw/zinc/72/01/95/646720195.db2.gz NDRGEISQVADZMU-JTQLQIEISA-N 0 1 297.286 0.761 20 5 CCBDMN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000879612825 647082888 /nfs/dbraw/zinc/08/28/88/647082888.db2.gz PSXPVZUXXPNMMS-OLZOCXBDSA-N 0 1 282.296 0.401 20 5 CCBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC=C[C@H]2CO)c1 ZINC000880482406 647205848 /nfs/dbraw/zinc/20/58/48/647205848.db2.gz HVDAWIASBVFGKZ-QWHCGFSZSA-N 0 1 294.307 0.567 20 5 CCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@H](O)CN1C ZINC000924982992 648393478 /nfs/dbraw/zinc/39/34/78/648393478.db2.gz ZHJFKJKLNWHQIP-MNOVXSKESA-N 0 1 293.323 0.698 20 5 CCBDMN O=C([C@@H]1CCCN(CC[N+](=O)[O-])C1)N1CCCC1 ZINC000929623607 648768095 /nfs/dbraw/zinc/76/80/95/648768095.db2.gz KBACHSASXOKBIV-LLVKDONJSA-N 0 1 255.318 0.598 20 5 CCBDMN NC(=O)C1(NCC[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000930705333 648892234 /nfs/dbraw/zinc/89/22/34/648892234.db2.gz SIYOTRZRMNYVKW-UHFFFAOYSA-N 0 1 267.329 0.533 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000935192291 649216904 /nfs/dbraw/zinc/21/69/04/649216904.db2.gz RRBLWKACHOTIHB-VHSXEESVSA-N 0 1 295.343 0.651 20 5 CCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1nnc[nH]1 ZINC000188123648 649341595 /nfs/dbraw/zinc/34/15/95/649341595.db2.gz JKAYXLGXIOYUCI-LURJTMIESA-N 0 1 276.256 0.786 20 5 CCBDMN Cc1cnc(N2C[C@@H]3OCCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000471703212 719372654 /nfs/dbraw/zinc/37/26/54/719372654.db2.gz YZXVRUKBUAMPNQ-RYUDHWBXSA-N 0 1 278.312 0.817 20 5 CCBDMN COC(=O)[C@H](N)C1CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001155153932 800919966 /nfs/dbraw/zinc/91/99/66/800919966.db2.gz IFHWUZVHRJBLEN-GFCCVEGCSA-N 0 1 294.311 0.707 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])S1 ZINC001155837650 801062594 /nfs/dbraw/zinc/06/25/94/801062594.db2.gz QMAISXQJPSGAFX-ZETCQYMHSA-N 0 1 272.217 0.850 20 5 CCBDMN Cc1nc(Cl)nc(NC[C@H]2COCCN2)c1[N+](=O)[O-] ZINC001159036375 801746072 /nfs/dbraw/zinc/74/60/72/801746072.db2.gz MCCLPJUCHGCTLC-ZETCQYMHSA-N 0 1 287.707 0.747 20 5 CCBDMN COC(=O)c1cnc(NC[C@@H]2COCCN2)c([N+](=O)[O-])c1 ZINC001159042253 801746848 /nfs/dbraw/zinc/74/68/48/801746848.db2.gz DKZIAKLEBHZCMY-SECBINFHSA-N 0 1 296.283 0.177 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2cc([N+](=O)[O-])c3nncn3c2)S1 ZINC001163672770 802589427 /nfs/dbraw/zinc/58/94/27/802589427.db2.gz QQLJZTXNNPCJPP-MRVPVSSYSA-N 0 1 294.252 0.359 20 5 CCBDMN CCN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC001166442957 802906758 /nfs/dbraw/zinc/90/67/58/802906758.db2.gz ALTKROPSJYBTDZ-JTQLQIEISA-N 0 1 293.327 0.738 20 5 CCBDMN O=c1nc2ccc([N+](=O)[O-])cc2c(OC2COCOC2)[nH]1 ZINC001227096246 805322204 /nfs/dbraw/zinc/32/22/04/805322204.db2.gz NJXKMPRXAISJNY-UHFFFAOYSA-N 0 1 293.235 0.995 20 5 CCBDMN CC[N@H+]1CC[C@H](Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001229376080 805527075 /nfs/dbraw/zinc/52/70/75/805527075.db2.gz PQQWKVJVTCDZMN-QMMMGPOBSA-N 0 1 268.273 0.872 20 5 CCBDMN COC[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001263261272 809499796 /nfs/dbraw/zinc/49/97/96/809499796.db2.gz YVZAQGQZDVVIFL-LBPRGKRZSA-N 0 1 293.323 0.964 20 5 CCBDMN COc1ccc([N+](=O)[O-])c(C(=O)N(C)c2nn[nH]n2)c1 ZINC001279179203 809971062 /nfs/dbraw/zinc/97/10/62/809971062.db2.gz HZDOKEDQWQSXJK-UHFFFAOYSA-N 0 1 278.228 0.393 20 5 CCBDMN Cc1c(OCC(=O)N2CCNCC2)cccc1[N+](=O)[O-] ZINC000038081539 812208629 /nfs/dbraw/zinc/20/86/29/812208629.db2.gz RWXYZBVKKWUZGX-UHFFFAOYSA-N 0 1 279.296 0.714 20 5 CCBDMN O=[N+]([O-])CCNCC[S@](=O)Cc1ccccc1 ZINC000905104362 815510112 /nfs/dbraw/zinc/51/01/12/815510112.db2.gz FDRDPRBMHCJXEL-KRWDZBQOSA-N 0 1 256.327 0.802 20 5 CCBDMN C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])O2)CO1 ZINC000894619421 813874095 /nfs/dbraw/zinc/87/40/95/813874095.db2.gz OYWXJUSOGATSRV-CJJWORHMSA-N 0 1 284.312 0.494 20 5 CCBDMN CC[N@H+]1CCC[C@H](Oc2nc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228139896 814625770 /nfs/dbraw/zinc/62/57/70/814625770.db2.gz CEWHHYVIWGUZIX-QMMMGPOBSA-N 0 1 268.273 0.954 20 5 CCBDMN CC[N@@H+]1CCC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228139896 814625775 /nfs/dbraw/zinc/62/57/75/814625775.db2.gz CEWHHYVIWGUZIX-QMMMGPOBSA-N 0 1 268.273 0.954 20 5 CCBDMN CC[N@H+]1CCC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228139896 814625779 /nfs/dbraw/zinc/62/57/79/814625779.db2.gz CEWHHYVIWGUZIX-QMMMGPOBSA-N 0 1 268.273 0.954 20 5 CCBDMN O=C(NC1CN(CC2=CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292384 815961223 /nfs/dbraw/zinc/96/12/23/815961223.db2.gz FLNHTTUNPOXQEL-CHWSQXEVSA-N 0 1 279.340 0.952 20 5 CCBDMN O=C(NC1CN(C/C(Cl)=C/Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292674 815962855 /nfs/dbraw/zinc/96/28/55/815962855.db2.gz ROCOHEPZNPWCMP-ONVPRVARSA-N 0 1 294.138 0.771 20 5 CCBDMN CN1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000699491546 816747150 /nfs/dbraw/zinc/74/71/50/816747150.db2.gz TVORYUFPHQWWNH-GFCCVEGCSA-N 0 1 251.286 0.708 20 5 CCBDMN CCCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062403825 819938119 /nfs/dbraw/zinc/93/81/19/819938119.db2.gz WOQYEAOCSAAYOS-NXEZZACHSA-N 0 1 283.328 0.607 20 5 CCBDMN CCc1n[nH]c(C(=O)N[C@@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC001155894628 822273642 /nfs/dbraw/zinc/27/36/42/822273642.db2.gz WLIREMQZFHILHQ-IONNQARKSA-N 0 1 281.316 0.703 20 5 CCBDMN C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CCN1CCO ZINC000804625051 837550660 /nfs/dbraw/zinc/55/06/60/837550660.db2.gz GAIJVLFEYAILPX-JTQLQIEISA-N 0 1 280.328 0.680 20 5 CCBDMN COC(=O)C1(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN(C)CC1 ZINC001168984319 836080030 /nfs/dbraw/zinc/08/00/30/836080030.db2.gz LYHXXLCKGMAGAG-VXGBXAGGSA-N 0 1 299.371 0.659 20 5 CCBDMN COC(=O)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007325 836097193 /nfs/dbraw/zinc/09/71/93/836097193.db2.gz MOAQQDYNEINFDZ-GHMZBOCLSA-N 0 1 271.317 0.816 20 5 CCBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN3CCOC[C@@H]3C2)C1 ZINC001169013854 836098509 /nfs/dbraw/zinc/09/85/09/836098509.db2.gz WRSAPPXIPFGKMH-XQQFMLRXSA-N 0 1 269.345 0.448 20 5 CCBDMN C[C@@H]1C(=O)N(C)CCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039495 836112075 /nfs/dbraw/zinc/11/20/75/836112075.db2.gz QDEWLUABYKSAHJ-GMTAPVOTSA-N 0 1 255.318 0.594 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1ccc([N+](=O)[O-])c(N)n1 ZINC001156828709 836710739 /nfs/dbraw/zinc/71/07/39/836710739.db2.gz CJPRCRZAYAFFKJ-UHFFFAOYSA-N 0 1 275.272 0.004 20 5 CCBDMN Cc1cccc(C(=O)N(C)c2nn[nH]n2)c1[N+](=O)[O-] ZINC001131169992 838012773 /nfs/dbraw/zinc/01/27/73/838012773.db2.gz QRWFYQLDEWWBNV-UHFFFAOYSA-N 0 1 262.229 0.693 20 5 CCBDMN CC[C@@](N)(CO)Nc1cc([N+](=O)[O-])c(OC)nc1C ZINC001170863578 839456939 /nfs/dbraw/zinc/45/69/39/839456939.db2.gz OUVZTAILWASWLG-NSHDSACASA-N 0 1 270.289 0.776 20 5 CCBDMN CC[C@](N)(CO)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC001170863045 839457234 /nfs/dbraw/zinc/45/72/34/839457234.db2.gz LJXHSMOMTOVCGZ-SECBINFHSA-N 0 1 260.681 0.534 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](O)[C@@H](CO)C1 ZINC001171232101 840164272 /nfs/dbraw/zinc/16/42/72/840164272.db2.gz VEYQWPLOYVSLRA-DGCLKSJQSA-N 0 1 296.323 0.649 20 5 CCBDMN O=C(NCC[C@H](O)C1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001174729802 842204469 /nfs/dbraw/zinc/20/44/69/842204469.db2.gz YIANGBJFPPZEMV-JTQLQIEISA-N 0 1 282.300 0.989 20 5 CCBDMN O=[N+]([O-])c1ncccc1CN1C[C@H](CCO)[C@H](CO)C1 ZINC001176966246 842470230 /nfs/dbraw/zinc/47/02/30/842470230.db2.gz VNXOUTSVIQKIJE-JQWIXIFHSA-N 0 1 281.312 0.413 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](O)c1cnc[nH]1 ZINC001187599377 844737427 /nfs/dbraw/zinc/73/74/27/844737427.db2.gz BELBWFFIIBNZMY-SECBINFHSA-N 0 1 280.288 0.988 20 5 CCBDMN CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC001275749523 848808301 /nfs/dbraw/zinc/80/83/01/848808301.db2.gz WXFZBGOJFQRWRA-SNVBAGLBSA-N 0 1 295.343 0.883 20 5 CCBDMN CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC001275749521 848808729 /nfs/dbraw/zinc/80/87/29/848808729.db2.gz WXFZBGOJFQRWRA-JTQLQIEISA-N 0 1 295.343 0.883 20 5 CCBDMN NCc1nnnn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576784 852683083 /nfs/dbraw/zinc/68/30/83/852683083.db2.gz ZCBUEIDHQJJAOL-SNVBAGLBSA-N 0 1 260.257 0.380 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1nnc[nH]1 ZINC001116862623 855851110 /nfs/dbraw/zinc/85/11/10/855851110.db2.gz XMLMQILXRPGYJQ-UHFFFAOYSA-N 0 1 276.256 0.689 20 5 CCBDMN CCc1nc([C@H](C)OC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC001118392233 856287692 /nfs/dbraw/zinc/28/76/92/856287692.db2.gz BDVKMFYTDPIHIE-LURJTMIESA-N 0 1 294.271 0.927 20 5 CCBDMN CCC(=O)N1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285151676 893836694 /nfs/dbraw/zinc/83/66/94/893836694.db2.gz GZGXMSKRUVFCNG-VXGBXAGGSA-N 0 1 297.355 0.807 20 5 CCBDMN CC(C)(NC(=O)c1cccc([N+](=O)[O-])c1N)c1c[nH]nn1 ZINC001299205827 894891784 /nfs/dbraw/zinc/89/17/84/894891784.db2.gz ZAADWIMGBWNAIO-UHFFFAOYSA-N 0 1 290.283 0.960 20 5 CCBDMN CC(C)=CC(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001299310675 899422173 /nfs/dbraw/zinc/42/21/73/899422173.db2.gz DPFSKAWSSWSIMQ-GHMZBOCLSA-N 0 1 281.312 0.287 20 5 CCBDMN C[C@@H]1C[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)O1 ZINC001299455962 901007233 /nfs/dbraw/zinc/00/72/33/901007233.db2.gz JJUDFWCPMZTEOS-PRJMDXOYSA-N 0 1 268.273 0.861 20 5 CCBDMN O=C(NCCNC(=O)C12CCC(CC1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001283004316 904667593 /nfs/dbraw/zinc/66/75/93/904667593.db2.gz CFWSIQUTJDXHSI-JXRVJTEKSA-N 0 1 295.339 0.464 20 5 CCBDMN CC(C)CC(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001285995605 905829915 /nfs/dbraw/zinc/82/99/15/905829915.db2.gz SCLAXXRJWCHPPD-GHMZBOCLSA-N 0 1 283.328 0.367 20 5 CCBDMN CN(CC1CN(C)C1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001337221539 921219322 /nfs/dbraw/zinc/21/93/22/921219322.db2.gz OMFWLQAMWQCMBQ-UHFFFAOYSA-N 0 1 251.290 0.570 20 5 CCBDMN CC(C)CCC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001296997939 906987906 /nfs/dbraw/zinc/98/79/06/906987906.db2.gz ANWAUBUTZUNWHX-GHMZBOCLSA-N 0 1 283.328 0.415 20 5 CCBDMN O=C(CCC1CC1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001297022143 907000783 /nfs/dbraw/zinc/00/07/83/907000783.db2.gz FGBDRIFVTMXWBY-GHMZBOCLSA-N 0 1 281.312 0.169 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC001303286874 908076274 /nfs/dbraw/zinc/07/62/74/908076274.db2.gz MRLPOXIZYMDTEY-OCAPTIKFSA-N 0 1 280.284 0.599 20 5 CCBDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001328783257 915432544 /nfs/dbraw/zinc/43/25/44/915432544.db2.gz KJQZZSILJXUGNU-BDAKNGLRSA-N 0 1 268.273 0.586 20 5 CCBDMN Cc1cnc(OCC(=O)N2CCNCC2)c([N+](=O)[O-])c1 ZINC001332134687 917892598 /nfs/dbraw/zinc/89/25/98/917892598.db2.gz DDQKWYLNEMTLGH-UHFFFAOYSA-N 0 1 280.284 0.109 20 5 CCBDMN O=[N+]([O-])c1cnc(NCc2n[nH]c([C@@H]3CCCO3)n2)nc1 ZINC001332986316 918582143 /nfs/dbraw/zinc/58/21/43/918582143.db2.gz XZOLRELLYGUMOX-QMMMGPOBSA-N 0 1 291.271 0.967 20 5 CCBDMN C[N@@H+](CCC(=O)[O-])C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001333570851 919010518 /nfs/dbraw/zinc/01/05/18/919010518.db2.gz BYJKAZMSUGJXMI-JTQLQIEISA-N 0 1 298.295 0.741 20 5 CCBDMN O=C(NCCNCC[N+](=O)[O-])NC1CCCCC1 ZINC001336020843 920569430 /nfs/dbraw/zinc/56/94/30/920569430.db2.gz NZMGDKSFJXJFII-UHFFFAOYSA-N 0 1 258.322 0.485 20 5 CCBDMN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001342029225 922773153 /nfs/dbraw/zinc/77/31/53/922773153.db2.gz OTVTWXDMRRORQC-SSDOTTSWSA-N 0 1 293.283 0.059 20 5 CCBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCNC[C@@H]1CO ZINC001342441586 922963241 /nfs/dbraw/zinc/96/32/41/922963241.db2.gz WOUYEQQOXZIYDU-LLVKDONJSA-N 0 1 279.296 0.310 20 5 CCBDMN O=C(O[C@H]1CSc2nccn2C1)[C@@H]1CC1[N+](=O)[O-] ZINC001343721590 923444837 /nfs/dbraw/zinc/44/48/37/923444837.db2.gz UTTMEHGPECOHKB-BWZBUEFSSA-N 0 1 269.282 0.566 20 5 CCBDMN CC(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001344190872 923565346 /nfs/dbraw/zinc/56/53/46/923565346.db2.gz BGOUGCLUUBQHBX-WRWGMCAJSA-N 0 1 297.355 0.709 20 5 CCBDMN COC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001344578299 923643452 /nfs/dbraw/zinc/64/34/52/923643452.db2.gz DEXUTZZDYRHAQE-RKDXNWHRSA-N 0 1 259.258 0.390 20 5 CCBDMN O=C(OC[C@H]1CCNC(=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001344854753 923711049 /nfs/dbraw/zinc/71/10/49/923711049.db2.gz FKBDCQVSGNSIPF-IWSPIJDZSA-N 0 1 256.258 0.111 20 5 CCBDMN CN1CCc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc2C1=O ZINC001347846435 924550961 /nfs/dbraw/zinc/55/09/61/924550961.db2.gz IIAOXPNXHKFJSJ-VXGBXAGGSA-N 0 1 289.291 0.918 20 5 CCBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cncs1 ZINC001349767101 925048551 /nfs/dbraw/zinc/04/85/51/925048551.db2.gz QXKHWXMEQZOFPS-HTQZYQBOSA-N 0 1 298.324 0.044 20 5 CCBDMN COCC[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC001354101151 926014561 /nfs/dbraw/zinc/01/45/61/926014561.db2.gz YIRJIQBOUOFPGQ-SNVBAGLBSA-N 0 1 296.327 0.384 20 5 CCBDMN Cc1occc1C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355591322 926288305 /nfs/dbraw/zinc/28/83/05/926288305.db2.gz ADJMAVGMVHEUHP-GHMZBOCLSA-N 0 1 295.295 0.441 20 5 CCBDMN C[C@@H](C(=O)[O-])[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC001588598061 959403046 /nfs/dbraw/zinc/40/30/46/959403046.db2.gz ZRGOKYYJRLXGQH-QMMMGPOBSA-N 0 1 268.273 0.729 20 5 CCBDMN C[C@](CO)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001592751243 979322812 /nfs/dbraw/zinc/32/28/12/979322812.db2.gz UPUVOGIRXJDPEZ-LLVKDONJSA-N 0 1 290.222 0.798 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(N(C)CC(=O)N2CCNCC2)c1 ZINC000094663239 349571936 /nfs/dbraw/zinc/57/19/36/349571936.db2.gz PLWRUVBTXFHYLI-UHFFFAOYSA-N 0 1 292.339 0.771 20 5 CCBDMN CC[C@@H]1CN(CC)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000456366270 529387140 /nfs/dbraw/zinc/38/71/40/529387140.db2.gz ZQLMDQVZVOCYKM-LLVKDONJSA-N 0 1 295.343 0.734 20 5 CCBDMN COCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103202038 349692625 /nfs/dbraw/zinc/69/26/25/349692625.db2.gz PYNHYDAATBVAEQ-UHFFFAOYSA-N 0 1 277.240 0.965 20 5 CCBDMN Cc1cc(C(=O)NCCN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000600809591 362067129 /nfs/dbraw/zinc/06/71/29/362067129.db2.gz VSEUGUAUODESNS-LBPRGKRZSA-N 0 1 293.323 0.700 20 5 CCBDMN CNC(=O)C[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000456500462 529869142 /nfs/dbraw/zinc/86/91/42/529869142.db2.gz HTLRDJHQJFUHNP-SSDOTTSWSA-N 0 1 281.268 0.555 20 5 CCBDMN C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000602722073 362771193 /nfs/dbraw/zinc/77/11/93/362771193.db2.gz LVSPQUKBBUJONB-CABZTGNLSA-N 0 1 268.317 0.779 20 5 CCBDMN Cc1cc(=O)[nH]cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343839227 137161104 /nfs/dbraw/zinc/16/11/04/137161104.db2.gz VMBJEUWLQLTFCS-UHFFFAOYSA-N 0 1 263.213 0.979 20 5 CCBDMN CNC(=O)CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026595098 348094560 /nfs/dbraw/zinc/09/45/60/348094560.db2.gz XZILWHDFTVDRHZ-UHFFFAOYSA-N 0 1 293.327 0.248 20 5 CCBDMN C[C@@H](CO)N1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000345674625 137245371 /nfs/dbraw/zinc/24/53/71/137245371.db2.gz IUPCFCOJBLOZKZ-JTQLQIEISA-N 0 1 296.327 0.452 20 5 CCBDMN NC(=O)CCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000043111141 348305499 /nfs/dbraw/zinc/30/54/99/348305499.db2.gz QCGQRAUDVUOFSY-UHFFFAOYSA-N 0 1 291.267 0.466 20 5 CCBDMN O=C(NC1CCN(c2ncccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000044525107 348321702 /nfs/dbraw/zinc/32/17/02/348321702.db2.gz PXFPIAZMEMETQN-GHMZBOCLSA-N 0 1 291.311 0.227 20 5 CCBDMN O=C(NCCCn1ccnn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000346118083 137267978 /nfs/dbraw/zinc/26/79/78/137267978.db2.gz YOOPPICOYYYNSK-UHFFFAOYSA-N 0 1 291.267 0.712 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000089407843 349384617 /nfs/dbraw/zinc/38/46/17/349384617.db2.gz PNONXSNINMQGDB-SVRRBLITSA-N 0 1 268.273 0.469 20 5 CCBDMN C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000128917587 350201287 /nfs/dbraw/zinc/20/12/87/350201287.db2.gz GFVBVWKJTQVOFV-SSDOTTSWSA-N 0 1 297.296 0.752 20 5 CCBDMN COc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1O ZINC000135673320 350405753 /nfs/dbraw/zinc/40/57/53/350405753.db2.gz ZJLYPQHWMUCVAI-UHFFFAOYSA-N 0 1 292.251 0.962 20 5 CCBDMN O=[N+]([O-])c1ccccc1CN(CCO)CCCO ZINC000109797764 186273755 /nfs/dbraw/zinc/27/37/55/186273755.db2.gz CVFCHBABKQXJLS-UHFFFAOYSA-N 0 1 254.286 0.772 20 5 CCBDMN C[N@@H+]1CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000618359532 366002462 /nfs/dbraw/zinc/00/24/62/366002462.db2.gz DLVNTPUWHHSUOY-SECBINFHSA-N 0 1 280.284 0.519 20 5 CCBDMN C[N@H+]1CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000618359532 366002466 /nfs/dbraw/zinc/00/24/66/366002466.db2.gz DLVNTPUWHHSUOY-SECBINFHSA-N 0 1 280.284 0.519 20 5 CCBDMN CCc1n[nH]c(C(=O)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000171662144 350925432 /nfs/dbraw/zinc/92/54/32/350925432.db2.gz ATWJKKMWFIHYRZ-UHFFFAOYSA-N 0 1 267.289 0.268 20 5 CCBDMN COC(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174842875 351106670 /nfs/dbraw/zinc/10/66/70/351106670.db2.gz IYCJRGZESWADCW-SNVBAGLBSA-N 0 1 282.300 0.676 20 5 CCBDMN COCCN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176200536 351160627 /nfs/dbraw/zinc/16/06/27/351160627.db2.gz FUICYYDZSSTQQL-UHFFFAOYSA-N 0 1 283.332 0.055 20 5 CCBDMN C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000187674223 351552947 /nfs/dbraw/zinc/55/29/47/351552947.db2.gz KQFJDHCNDWDJPZ-RXMQYKEDSA-N 0 1 278.228 0.305 20 5 CCBDMN C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCN1 ZINC000188387631 351592297 /nfs/dbraw/zinc/59/22/97/351592297.db2.gz UHKYJQQBQMASJR-SNVBAGLBSA-N 0 1 278.312 0.827 20 5 CCBDMN CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000190705808 351732619 /nfs/dbraw/zinc/73/26/19/351732619.db2.gz FAKOEYJSBUPYAS-BQBZGAKWSA-N 0 1 254.246 0.207 20 5 CCBDMN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1 ZINC000122727317 187048138 /nfs/dbraw/zinc/04/81/38/187048138.db2.gz PYIHFZXPBCRIOZ-JTQLQIEISA-N 0 1 263.297 0.958 20 5 CCBDMN CN1CCN(C)[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000225345626 352002553 /nfs/dbraw/zinc/00/25/53/352002553.db2.gz JEVOXKICTUHMQH-NSHDSACASA-N 0 1 265.317 0.648 20 5 CCBDMN COC[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231857109 352137254 /nfs/dbraw/zinc/13/72/54/352137254.db2.gz VHPQFKXJUZJEDB-JTQLQIEISA-N 0 1 267.285 0.493 20 5 CCBDMN Cc1cc(C(=O)N2CCNCC2)c(N)c([N+](=O)[O-])c1 ZINC000237698218 352279869 /nfs/dbraw/zinc/27/98/69/352279869.db2.gz FHSWLOVQERWNPJ-UHFFFAOYSA-N 0 1 264.285 0.531 20 5 CCBDMN CC[C@]1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000248941353 352467837 /nfs/dbraw/zinc/46/78/37/352467837.db2.gz OBTACLPFULSXPX-CHWSQXEVSA-N 0 1 298.343 0.653 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CC(=O)NC2CC2)c1[N+](=O)[O-] ZINC000270389375 352927956 /nfs/dbraw/zinc/92/79/56/352927956.db2.gz XLYGPWSLNHXIIF-UHFFFAOYSA-N 0 1 295.299 0.231 20 5 CCBDMN CN1CC[C@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272538892 353072031 /nfs/dbraw/zinc/07/20/31/353072031.db2.gz BSJBPEUWDZRLDQ-WCBMZHEXSA-N 0 1 279.300 0.484 20 5 CCBDMN CN(C)C1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000272287743 353050089 /nfs/dbraw/zinc/05/00/89/353050089.db2.gz GSJCBBCMJSFZBB-UHFFFAOYSA-N 0 1 293.279 0.710 20 5 CCBDMN COC(=O)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000272705678 353086621 /nfs/dbraw/zinc/08/66/21/353086621.db2.gz VZUVLHNWEOZWFH-NSHDSACASA-N 0 1 294.263 0.982 20 5 CCBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)CN1CCO ZINC000419000206 234283529 /nfs/dbraw/zinc/28/35/29/234283529.db2.gz OCGWJIMZLQPWMV-MNOVXSKESA-N 0 1 280.328 0.881 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(CC(N)=O)C(C)C)c1[N+](=O)[O-] ZINC000154878479 188167201 /nfs/dbraw/zinc/16/72/01/188167201.db2.gz PDAWYODEHFKHOP-UHFFFAOYSA-N 0 1 297.315 0.606 20 5 CCBDMN O=C(NOCCC(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000155098308 188182622 /nfs/dbraw/zinc/18/26/22/188182622.db2.gz PWVSYICAQXILFM-UHFFFAOYSA-N 0 1 268.151 0.932 20 5 CCBDMN O=C(NCCCNc1ccccn1)c1[nH]ncc1[N+](=O)[O-] ZINC000157676554 188331494 /nfs/dbraw/zinc/33/14/94/188331494.db2.gz ZMNKZMOOUQNCEE-UHFFFAOYSA-N 0 1 290.283 0.945 20 5 CCBDMN O=C(NCCCNc1cccc[nH+]1)c1[n-]ncc1[N+](=O)[O-] ZINC000157676554 188331496 /nfs/dbraw/zinc/33/14/96/188331496.db2.gz ZMNKZMOOUQNCEE-UHFFFAOYSA-N 0 1 290.283 0.945 20 5 CCBDMN CCN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCNC1=O ZINC000282414999 353421579 /nfs/dbraw/zinc/42/15/79/353421579.db2.gz QJKSFTNNUPMPHP-SECBINFHSA-N 0 1 267.289 0.002 20 5 CCBDMN CC(C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCOCC1 ZINC000158800413 188394622 /nfs/dbraw/zinc/39/46/22/188394622.db2.gz JHLDSYDVFROVNC-UHFFFAOYSA-N 0 1 297.315 0.159 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000331560898 354606952 /nfs/dbraw/zinc/60/69/52/354606952.db2.gz VAJDXGNZWFEODS-GUBZILKMSA-N 0 1 294.311 0.859 20 5 CCBDMN CC(C)[C@H](O)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000271797636 191333158 /nfs/dbraw/zinc/33/31/58/191333158.db2.gz DAWGLZFWTFVTCN-JTQLQIEISA-N 0 1 282.300 0.845 20 5 CCBDMN COc1ccc(CN(CCO)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000336832889 355205624 /nfs/dbraw/zinc/20/56/24/355205624.db2.gz GBIGZBPSVGGVIZ-SNVBAGLBSA-N 0 1 284.312 0.779 20 5 CCBDMN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H](C)N1C ZINC000338791434 355419499 /nfs/dbraw/zinc/41/94/99/355419499.db2.gz FLEGZBFGGJOUIK-IUCAKERBSA-N 0 1 293.327 0.618 20 5 CCBDMN NC(=O)N[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339058578 355478889 /nfs/dbraw/zinc/47/88/89/355478889.db2.gz WPCUOXZLFCHLIK-SECBINFHSA-N 0 1 280.284 0.543 20 5 CCBDMN C[C@H](O)C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000339115062 355489451 /nfs/dbraw/zinc/48/94/51/355489451.db2.gz YAQLGMVKLVOYIL-UWVGGRQHSA-N 0 1 284.312 0.864 20 5 CCBDMN C[C@H](O)C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000339115062 355489457 /nfs/dbraw/zinc/48/94/57/355489457.db2.gz YAQLGMVKLVOYIL-UWVGGRQHSA-N 0 1 284.312 0.864 20 5 CCBDMN O=C(NCc1noc(C2CC2)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000345328938 355799515 /nfs/dbraw/zinc/79/95/15/355799515.db2.gz USRDETMRKLXZFO-UHFFFAOYSA-N 0 1 278.228 0.508 20 5 CCBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@H]3COC[C@@H]3O)C2)nc1 ZINC000361316906 138028886 /nfs/dbraw/zinc/02/88/86/138028886.db2.gz WVRCMUFVYQTKJQ-USWWRNFRSA-N 0 1 294.311 0.236 20 5 CCBDMN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000354531707 356433166 /nfs/dbraw/zinc/43/31/66/356433166.db2.gz HGUICXHWMCPELO-LURJTMIESA-N 0 1 276.256 0.786 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000355210884 356608262 /nfs/dbraw/zinc/60/82/62/356608262.db2.gz JYUYCVCUPVENAH-LURJTMIESA-N 0 1 277.240 0.910 20 5 CCBDMN CC(C)N(CC(N)=O)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355208852 356608865 /nfs/dbraw/zinc/60/88/65/356608865.db2.gz CBZPKUGYNOUWIA-UHFFFAOYSA-N 0 1 281.268 0.636 20 5 CCBDMN CCc1nnc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000359699758 356873044 /nfs/dbraw/zinc/87/30/44/356873044.db2.gz BQTCZNHOHPGUPU-UHFFFAOYSA-N 0 1 282.285 0.662 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](Cn2ccnn2)C1 ZINC000370936345 357360995 /nfs/dbraw/zinc/36/09/95/357360995.db2.gz IVKMHGAAOGJNPM-HBNTYKKESA-N 0 1 279.300 0.182 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC000377196583 357551136 /nfs/dbraw/zinc/55/11/36/357551136.db2.gz WWGFFFKRTJINFS-SSDOTTSWSA-N 0 1 295.299 0.218 20 5 CCBDMN Cc1cc(N2CCN(CCO)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450952740 236124106 /nfs/dbraw/zinc/12/41/06/236124106.db2.gz IWUBBJSYZSOCQB-NSHDSACASA-N 0 1 280.328 0.801 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408291934 358013788 /nfs/dbraw/zinc/01/37/88/358013788.db2.gz AUBZHQBORGJYJR-CAHLUQPWSA-N 0 1 254.246 0.222 20 5 CCBDMN Cc1cc(NCCNC(=O)c2n[nH]cc2[N+](=O)[O-])n(C)n1 ZINC000530441500 358400603 /nfs/dbraw/zinc/40/06/03/358400603.db2.gz YJKFHLCUDKSCKF-UHFFFAOYSA-N 0 1 293.287 0.202 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@@H]1[NH3+] ZINC000568998850 358725204 /nfs/dbraw/zinc/72/52/04/358725204.db2.gz HUXCLWVNWCKXKJ-XCBNKYQSSA-N 0 1 280.284 0.505 20 5 CCBDMN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCNCC1 ZINC000571059745 358908967 /nfs/dbraw/zinc/90/89/67/358908967.db2.gz UKTULDMQXAHCIK-UHFFFAOYSA-N 0 1 264.285 0.710 20 5 CCBDMN O=[N+]([O-])c1cnn(CCc2nc([C@H]3CCCN3)no2)c1 ZINC000592356977 359823804 /nfs/dbraw/zinc/82/38/04/359823804.db2.gz OHYLVCFHYVWLMQ-SECBINFHSA-N 0 1 278.272 0.842 20 5 CCBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000593746556 360146625 /nfs/dbraw/zinc/14/66/25/360146625.db2.gz UBNOKJTVNPZLEX-NSHDSACASA-N 0 1 268.273 0.730 20 5 CCBDMN O=[N+]([O-])c1cc(CN2CC(N3CC[C@@H](O)C3)C2)cs1 ZINC000593679843 360133949 /nfs/dbraw/zinc/13/39/49/360133949.db2.gz MZKGLEQIEQSDPM-LLVKDONJSA-N 0 1 283.353 0.907 20 5 CCBDMN N[C@@H](c1cn(-c2ccc([N+](=O)[O-])cn2)nn1)[C@H]1CCCO1 ZINC000594649874 360348673 /nfs/dbraw/zinc/34/86/73/360348673.db2.gz PPHUUYFDXMPPMB-PWSUYJOCSA-N 0 1 290.283 0.749 20 5 CCBDMN N[C@H](c1cn(-c2ccc([N+](=O)[O-])cn2)nn1)[C@@H]1CCCO1 ZINC000594649872 360348994 /nfs/dbraw/zinc/34/89/94/360348994.db2.gz PPHUUYFDXMPPMB-CMPLNLGQSA-N 0 1 290.283 0.749 20 5 CCBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](O)C2)c1 ZINC000178860452 189151028 /nfs/dbraw/zinc/15/10/28/189151028.db2.gz KMZQVWOBPVPRMI-NEPJUHHUSA-N 0 1 252.270 0.695 20 5 CCBDMN O=c1[nH]ccc(N2CCN(CCCO)CC2)c1[N+](=O)[O-] ZINC000596097143 360793272 /nfs/dbraw/zinc/79/32/72/360793272.db2.gz FLMMXCPEFCFOSB-UHFFFAOYSA-N 0 1 282.300 0.200 20 5 CCBDMN CC[C@H](CO)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596140216 360809735 /nfs/dbraw/zinc/80/97/35/360809735.db2.gz FQTXGHUWNLVDDX-SNVBAGLBSA-N 0 1 295.343 0.465 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596815497 360960254 /nfs/dbraw/zinc/96/02/54/360960254.db2.gz AWVUSEHXLRZSBG-UHFFFAOYSA-N 0 1 279.300 0.437 20 5 CCBDMN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597943883 361286713 /nfs/dbraw/zinc/28/67/13/361286713.db2.gz AGCDBWRSFPNVKW-VIFPVBQESA-N 0 1 281.316 0.495 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000598161216 361346708 /nfs/dbraw/zinc/34/67/08/361346708.db2.gz CQZPUTXGOIKWNE-UHFFFAOYSA-N 0 1 293.323 0.994 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC1CN(C)C1 ZINC000598165471 361346791 /nfs/dbraw/zinc/34/67/91/361346791.db2.gz XTIUSSSXBJECCH-UHFFFAOYSA-N 0 1 278.312 0.932 20 5 CCBDMN CCC[N@@H+]1CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000598344058 361392449 /nfs/dbraw/zinc/39/24/49/361392449.db2.gz ZEOIALWFATWIOF-JTQLQIEISA-N 0 1 294.311 0.910 20 5 CCBDMN CCC[N@H+]1CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000598344058 361392453 /nfs/dbraw/zinc/39/24/53/361392453.db2.gz ZEOIALWFATWIOF-JTQLQIEISA-N 0 1 294.311 0.910 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC000598449058 361420460 /nfs/dbraw/zinc/42/04/60/361420460.db2.gz PXXXCHIBSDKKRY-OQPBUACISA-N 0 1 296.327 0.971 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC000598446695 361419531 /nfs/dbraw/zinc/41/95/31/361419531.db2.gz GYEAAODVFFAEGN-JVXZTZIISA-N 0 1 282.300 0.717 20 5 CCBDMN CCN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000183693776 189365951 /nfs/dbraw/zinc/36/59/51/189365951.db2.gz MIWJVDZVRXSGBG-VIFPVBQESA-N 0 1 293.327 0.786 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000598787673 361517414 /nfs/dbraw/zinc/51/74/14/361517414.db2.gz YKUTTZIMWIRAGC-IONNQARKSA-N 0 1 282.300 0.717 20 5 CCBDMN O=[N+]([O-])c1c(NCCN2CC[C@H](O)C2)nc2sccn21 ZINC000599202531 361610205 /nfs/dbraw/zinc/61/02/05/361610205.db2.gz PUHRKWDPCDZLJO-QMMMGPOBSA-N 0 1 297.340 0.783 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCn2cccc2)n1 ZINC000599253024 361620627 /nfs/dbraw/zinc/62/06/27/361620627.db2.gz ZDXUXYQCCWAJBD-UHFFFAOYSA-N 0 1 299.312 0.108 20 5 CCBDMN Cn1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)nn1 ZINC000612391607 363903078 /nfs/dbraw/zinc/90/30/78/363903078.db2.gz IKXKCMRJFJBYSS-UHFFFAOYSA-N 0 1 277.240 0.359 20 5 CCBDMN C[C@H]1CN(C)CCN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000615494128 364979242 /nfs/dbraw/zinc/97/92/42/364979242.db2.gz AKWVJWAVVVIAPY-VIFPVBQESA-N 0 1 278.312 0.834 20 5 CCBDMN C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C(=O)[O-])C1 ZINC000566368878 291398117 /nfs/dbraw/zinc/39/81/17/291398117.db2.gz UQHZSJJZFWYJFM-NXEZZACHSA-N 0 1 282.300 0.976 20 5 CCBDMN NC(=O)[C@]1(O)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000276467384 193343098 /nfs/dbraw/zinc/34/30/98/193343098.db2.gz PQXAQOUHESSMHR-LBPRGKRZSA-N 0 1 265.269 0.017 20 5 CCBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ncnn1C ZINC000276867985 193483968 /nfs/dbraw/zinc/48/39/68/193483968.db2.gz LCOXPYZCKGBIMA-SSDOTTSWSA-N 0 1 291.267 0.920 20 5 CCBDMN COC(=O)[C@H](CC(F)F)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345307057 217492772 /nfs/dbraw/zinc/49/27/72/217492772.db2.gz SCPKGNGOJJPDMW-BYPYZUCNSA-N 0 1 292.198 0.245 20 5 CCBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H](CO)C1 ZINC000459695691 249053716 /nfs/dbraw/zinc/05/37/16/249053716.db2.gz LQUHXYAKBIHGKL-XWIASGKRSA-N 0 1 266.297 0.941 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2C[C@H]1CS2 ZINC000459798991 249062124 /nfs/dbraw/zinc/06/21/24/249062124.db2.gz VXGUZGHROCGDDL-QWRGUYRKSA-N 0 1 281.337 0.946 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F ZINC000288560289 197113121 /nfs/dbraw/zinc/11/31/21/197113121.db2.gz IZONDESUTJXMHP-VKHMYHEASA-N 0 1 252.152 0.999 20 5 CCBDMN CO[C@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000285898353 388811152 /nfs/dbraw/zinc/81/11/52/388811152.db2.gz DKGOLIICVGWSGC-OCAPTIKFSA-N 0 1 268.273 0.876 20 5 CCBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@](O)(C(N)=O)C1 ZINC000284888924 388784963 /nfs/dbraw/zinc/78/49/63/388784963.db2.gz FUVAELHHZQQZBH-TVQRCGJNSA-N 0 1 279.296 0.578 20 5 CCBDMN COC[C@H](C(N)=O)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339365288 285327983 /nfs/dbraw/zinc/32/79/83/285327983.db2.gz YZMQRYVIJHWKEX-LLVKDONJSA-N 0 1 283.284 0.233 20 5 CCBDMN O=C1C[C@H]2CC[C@@H](C1)N2CCn1ccc([N+](=O)[O-])n1 ZINC000289577455 388873596 /nfs/dbraw/zinc/87/35/96/388873596.db2.gz QZFVJHJJPNNUBV-AOOOYVTPSA-N 0 1 264.285 0.987 20 5 CCBDMN C/C=C/C[C@@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000187184545 388870927 /nfs/dbraw/zinc/87/09/27/388870927.db2.gz RAUOGVSMBYWOML-AIYRYJHASA-N 0 1 254.246 0.375 20 5 CCBDMN O=C(N[C@@H]1CCC[C@H]1CCO)c1n[nH]cc1[N+](=O)[O-] ZINC000187914142 388902008 /nfs/dbraw/zinc/90/20/08/388902008.db2.gz OZDBRCXNKNFKAM-JGVFFNPUSA-N 0 1 268.273 0.599 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](CO)C[C@@H]2C)c1[N+](=O)[O-] ZINC000291842913 388940556 /nfs/dbraw/zinc/94/05/56/388940556.db2.gz GCIZLCUTRTUGOI-CBAPKCEASA-N 0 1 282.300 0.859 20 5 CCBDMN CC1(C)CN(c2ccc([N+](=O)[O-])cn2)CCN1CCO ZINC000302522767 389073140 /nfs/dbraw/zinc/07/31/40/389073140.db2.gz JHASYLZKDFWVIX-UHFFFAOYSA-N 0 1 280.328 0.883 20 5 CCBDMN C[C@H](O)C[N@H+](CCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339202644 389128045 /nfs/dbraw/zinc/12/80/45/389128045.db2.gz JMBUCWGQYOMZJK-VIFPVBQESA-N 0 1 270.285 0.476 20 5 CCBDMN C[C@H](O)C[N@@H+](CCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339202644 389128048 /nfs/dbraw/zinc/12/80/48/389128048.db2.gz JMBUCWGQYOMZJK-VIFPVBQESA-N 0 1 270.285 0.476 20 5 CCBDMN C[C@@H]1[C@H](C)N(c2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC000356794772 389128670 /nfs/dbraw/zinc/12/86/70/389128670.db2.gz NLSMQJHNUOVDRA-SFYZADRCSA-N 0 1 266.305 0.326 20 5 CCBDMN O=C(C[C@H]1COCCN1)NCc1ccccc1[N+](=O)[O-] ZINC000130459102 389206625 /nfs/dbraw/zinc/20/66/25/389206625.db2.gz WKDSLBGYWJKMNM-NSHDSACASA-N 0 1 279.296 0.590 20 5 CCBDMN C[C@H](NCCN1C(=O)CNC1=O)c1ccccc1[N+](=O)[O-] ZINC000342266751 389204229 /nfs/dbraw/zinc/20/42/29/389204229.db2.gz CDYFAIPQIMSXBZ-VIFPVBQESA-N 0 1 292.295 0.797 20 5 CCBDMN C[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H](C)N1 ZINC000154242209 389311391 /nfs/dbraw/zinc/31/13/91/389311391.db2.gz LZTQRWWUUZMJLN-UWVGGRQHSA-N 0 1 295.343 0.735 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000153543381 389303183 /nfs/dbraw/zinc/30/31/83/389303183.db2.gz HIHVCZHREUPHKA-RKDXNWHRSA-N 0 1 281.316 0.309 20 5 CCBDMN COC(=O)C[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269366218 389415525 /nfs/dbraw/zinc/41/55/25/389415525.db2.gz KTMWJYXOHDTRFW-SSDOTTSWSA-N 0 1 282.252 0.982 20 5 CCBDMN C[C@@]1(O)C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000416277277 389723354 /nfs/dbraw/zinc/72/33/54/389723354.db2.gz PZJZEHDYDIUPIO-LYWQIFSTSA-N 0 1 266.253 0.944 20 5 CCBDMN O=C(NCCCCCCO)c1n[nH]cc1[N+](=O)[O-] ZINC000182242173 389703893 /nfs/dbraw/zinc/70/38/93/389703893.db2.gz ULEMGJCFYKRHNS-UHFFFAOYSA-N 0 1 256.262 0.600 20 5 CCBDMN C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCOC1 ZINC000352220601 389773814 /nfs/dbraw/zinc/77/38/14/389773814.db2.gz INFPDLPLZDFVIU-GFCCVEGCSA-N 0 1 281.312 0.867 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCNCC1 ZINC000417178652 389801489 /nfs/dbraw/zinc/80/14/89/389801489.db2.gz LFWQBEVBRFFFAN-UHFFFAOYSA-N 0 1 294.311 0.718 20 5 CCBDMN COC[C@@](C)(CCO)NCc1c([N+](=O)[O-])ncn1C ZINC000444232710 389897645 /nfs/dbraw/zinc/89/76/45/389897645.db2.gz BTNQYAYMTGMJGC-LLVKDONJSA-N 0 1 272.305 0.205 20 5 CCBDMN CO[C@@H]1COC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000458354278 390056074 /nfs/dbraw/zinc/05/60/74/390056074.db2.gz HVXLBLZEVOHTOE-WDEREUQCSA-N 0 1 282.252 0.444 20 5 CCBDMN CC(C)(C)OCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000536538083 390163719 /nfs/dbraw/zinc/16/37/19/390163719.db2.gz JLPKHGXLHGTLTH-UHFFFAOYSA-N 0 1 256.262 0.863 20 5 CCBDMN C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1nc[nH]n1 ZINC000537561325 390178354 /nfs/dbraw/zinc/17/83/54/390178354.db2.gz LPIQGHVCTLGLEZ-LURJTMIESA-N 0 1 298.284 0.147 20 5 CCBDMN CC1(C(N)=O)CN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000571877373 390756849 /nfs/dbraw/zinc/75/68/49/390756849.db2.gz AIQHLSAGBZHXPF-UHFFFAOYSA-N 0 1 279.296 0.781 20 5 CCBDMN Cc1cc(C[C@@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000269043998 132103361 /nfs/dbraw/zinc/10/33/61/132103361.db2.gz LLFVBIAIAOJKAP-MRVPVSSYSA-N 0 1 292.299 0.570 20 5 CCBDMN C[C@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000275415167 135106308 /nfs/dbraw/zinc/10/63/08/135106308.db2.gz SSGSJPIEQVAOOH-MNOVXSKESA-N 0 1 280.328 0.881 20 5 CCBDMN C[C@@H]1CN(CC(C)(C)O)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000275835773 135114035 /nfs/dbraw/zinc/11/40/35/135114035.db2.gz OYVDOEDZOWQBQV-SNVBAGLBSA-N 0 1 295.343 0.666 20 5 CCBDMN O=C(NC[C@@H]1CC[C@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000356629744 144020860 /nfs/dbraw/zinc/02/08/60/144020860.db2.gz VVGYMNASKBDBMU-RQJHMYQMSA-N 0 1 254.246 0.209 20 5 CCBDMN C[C@@H]1[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCCN1C ZINC000357474176 144094628 /nfs/dbraw/zinc/09/46/28/144094628.db2.gz LQJJUVPWIVQGMM-SCZZXKLOSA-N 0 1 293.327 0.983 20 5 CCBDMN C[C@@H]1[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCCN1C ZINC000357474174 144094670 /nfs/dbraw/zinc/09/46/70/144094670.db2.gz LQJJUVPWIVQGMM-PSASIEDQSA-N 0 1 293.327 0.983 20 5 CCBDMN C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000358692869 144173211 /nfs/dbraw/zinc/17/32/11/144173211.db2.gz YQMVBKQEPQFZDQ-DTORHVGOSA-N 0 1 294.311 0.860 20 5 CCBDMN O=C(NCC1(O)Cc2ccccc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000371708172 144341352 /nfs/dbraw/zinc/34/13/52/144341352.db2.gz AGMDTQCLPLNBRT-VXGBXAGGSA-N 0 1 276.292 0.298 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCCN(C)C2)n1 ZINC000191635446 227082587 /nfs/dbraw/zinc/08/25/87/227082587.db2.gz MIAFVYYKXJUAON-SNVBAGLBSA-N 0 1 295.343 0.977 20 5 CCBDMN COc1nnc(NC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000616029885 420497066 /nfs/dbraw/zinc/49/70/66/420497066.db2.gz KYJIQRJKLZAREW-UHFFFAOYSA-N 0 1 270.230 0.430 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(N(C)C)C2)n1 ZINC000283771889 274003945 /nfs/dbraw/zinc/00/39/45/274003945.db2.gz OWLVCCLIIMQFNP-UHFFFAOYSA-N 0 1 280.284 0.527 20 5 CCBDMN COc1cc(CN[C@H](CO)[C@@H](C)O)c([N+](=O)[O-])cc1O ZINC000419812559 274094980 /nfs/dbraw/zinc/09/49/80/274094980.db2.gz MZNFCNIFBRZRMA-VXNVDRBHSA-N 0 1 286.284 0.140 20 5 CCBDMN CC(C)([NH3+])C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123483161 275552018 /nfs/dbraw/zinc/55/20/18/275552018.db2.gz FEDFUPCJQRBUFF-UHFFFAOYSA-N 0 1 291.304 0.750 20 5 CCBDMN COC(=O)[C@@H]1CN(C)CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000413502364 277362776 /nfs/dbraw/zinc/36/27/76/277362776.db2.gz QNQMTBYCFUTRNN-SNVBAGLBSA-N 0 1 294.311 0.531 20 5 CCBDMN C[C@H](C[NH3+])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000347594724 279297515 /nfs/dbraw/zinc/29/75/15/279297515.db2.gz FMEOZZBONFCQBK-ZCFIWIBFSA-N 0 1 293.732 0.874 20 5 CCBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366548743 280372145 /nfs/dbraw/zinc/37/21/45/280372145.db2.gz UELKZTKMJGQLBI-PRULPYPASA-N 0 1 284.312 0.448 20 5 CCBDMN C[N@@H+]1C[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C[C@H]2C1 ZINC000192541393 290287574 /nfs/dbraw/zinc/28/75/74/290287574.db2.gz PCZXDJJDIZUPNI-AOOOYVTPSA-N 0 1 291.307 0.934 20 5 CCBDMN C[C@@H]1[C@H](CO)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000386209500 336168483 /nfs/dbraw/zinc/16/84/83/336168483.db2.gz DDNDRKLSWSZLQU-SKDRFNHKSA-N 0 1 293.323 0.896 20 5 CCBDMN C[C@@H]1CN(CCO)[C@@H](C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000419000535 534471460 /nfs/dbraw/zinc/47/14/60/534471460.db2.gz KLPSHMGJAPBUDK-VHSXEESVSA-N 0 1 281.316 0.276 20 5 CCBDMN CC[C@H]1CN(CC)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000456366271 529287370 /nfs/dbraw/zinc/28/73/70/529287370.db2.gz ZQLMDQVZVOCYKM-NSHDSACASA-N 0 1 295.343 0.734 20 5 CCBDMN O=C(NOC[C@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC000788570043 581116993 /nfs/dbraw/zinc/11/69/93/581116993.db2.gz KJTYHSDTGKJEMS-LURJTMIESA-N 0 1 256.218 0.016 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782620842 581315247 /nfs/dbraw/zinc/31/52/47/581315247.db2.gz MATBIGMFVUCLBV-KOLCDFICSA-N 0 1 252.274 0.106 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H]3C[C@@]3(CO)C2)c1[N+](=O)[O-] ZINC000783818612 581364857 /nfs/dbraw/zinc/36/48/57/581364857.db2.gz JDKOOXFMSPIREH-OQPBUACISA-N 0 1 294.311 0.896 20 5 CCBDMN O=[N+]([O-])c1cccnc1N1CCN(C[C@@H](O)C2CC2)CC1 ZINC000734142692 581544716 /nfs/dbraw/zinc/54/47/16/581544716.db2.gz XYRHRXOPWQILJM-CYBMUJFWSA-N 0 1 292.339 0.883 20 5 CCBDMN Cc1cc(C(=O)NCc2c[nH]nn2)c(N)c([N+](=O)[O-])c1 ZINC000734892829 581596425 /nfs/dbraw/zinc/59/64/25/581596425.db2.gz JOQONFXUWJLLDG-UHFFFAOYSA-N 0 1 276.256 0.534 20 5 CCBDMN Cc1nonc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000741440053 581753426 /nfs/dbraw/zinc/75/34/26/581753426.db2.gz WWKQBXORDJTABS-UHFFFAOYSA-N 0 1 252.186 0.971 20 5 CCBDMN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])n2C)n[nH]1 ZINC000770648887 581759756 /nfs/dbraw/zinc/75/97/56/581759756.db2.gz QUFGYQOOPLIMOR-UHFFFAOYSA-N 0 1 265.229 0.717 20 5 CCBDMN CCc1cc(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)n[nH]1 ZINC000732790883 581848307 /nfs/dbraw/zinc/84/83/07/581848307.db2.gz KFEPZMQOAABRJI-UHFFFAOYSA-N 0 1 292.299 0.852 20 5 CCBDMN O=C(NCCCn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000762772103 581960414 /nfs/dbraw/zinc/96/04/14/581960414.db2.gz MPQYCDLMJLMQMM-UHFFFAOYSA-N 0 1 266.179 0.860 20 5 CCBDMN O=[N+]([O-])c1c(NCc2c[nH]nn2)nc2ccccn21 ZINC000748438128 581975611 /nfs/dbraw/zinc/97/56/11/581975611.db2.gz NHGBZIQTFJKVOL-UHFFFAOYSA-N 0 1 259.229 0.973 20 5 CCBDMN O=[N+]([O-])c1cnc(-n2cnc(-c3nn[nH]n3)n2)c(Cl)c1 ZINC000738370700 582039726 /nfs/dbraw/zinc/03/97/26/582039726.db2.gz XYMZHRXNUHBZLX-UHFFFAOYSA-N 0 1 293.634 0.404 20 5 CCBDMN CN(Cc1nnc[nH]1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593820 582083610 /nfs/dbraw/zinc/08/36/10/582083610.db2.gz ZPHXTNGASWXYPO-LLVKDONJSA-N 0 1 277.284 0.878 20 5 CCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)C(F)F ZINC000839783760 615808186 /nfs/dbraw/zinc/80/81/86/615808186.db2.gz LKBULQZVCOABCQ-UCROKIRRSA-N 0 1 252.217 0.172 20 5 CCBDMN COCCSCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673723 616614429 /nfs/dbraw/zinc/61/44/29/616614429.db2.gz ZVQYCBAGFOCZKF-RKDXNWHRSA-N 0 1 263.315 0.965 20 5 CCBDMN O=C([O-])[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821510625 601576292 /nfs/dbraw/zinc/57/62/92/601576292.db2.gz VSLUDDWOLBBOSD-WDEREUQCSA-N 0 1 298.299 0.091 20 5 CCBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000828024053 601939701 /nfs/dbraw/zinc/93/97/01/601939701.db2.gz DWHZKJXNLDXAKP-LLVKDONJSA-N 0 1 268.273 0.588 20 5 CCBDMN C[C@@H](C(=O)[O-])[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000833408846 605493967 /nfs/dbraw/zinc/49/39/67/605493967.db2.gz XEXOCCDGTYFTEA-ZETCQYMHSA-N 0 1 251.242 0.821 20 5 CCBDMN C[C@@H](C(=O)[O-])[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000833408846 605493971 /nfs/dbraw/zinc/49/39/71/605493971.db2.gz XEXOCCDGTYFTEA-ZETCQYMHSA-N 0 1 251.242 0.821 20 5 CCBDMN CC(C)(CCC(=O)NC1(c2nn[nH]n2)CCCC1)[N+](=O)[O-] ZINC000826046810 614081287 /nfs/dbraw/zinc/08/12/87/614081287.db2.gz CJIOWVRYKSCRBH-UHFFFAOYSA-N 0 1 296.331 0.921 20 5 CCBDMN COc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC000840673459 617261046 /nfs/dbraw/zinc/26/10/46/617261046.db2.gz OFOPCFPDSCLAHY-NXEZZACHSA-N 0 1 252.226 0.799 20 5 CCBDMN CC(C)(C)OC(=O)NC/C=C/CNCC[N+](=O)[O-] ZINC000905210008 613983696 /nfs/dbraw/zinc/98/36/96/613983696.db2.gz SJHKPXFXFCIYRN-SNAWJCMRSA-N 0 1 259.306 0.934 20 5 CCBDMN CC(=O)OC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000153364952 614214666 /nfs/dbraw/zinc/21/46/66/614214666.db2.gz SKUFWNKPWBPNHK-UHFFFAOYSA-N 0 1 282.300 0.819 20 5 CCBDMN CC(C)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000840673110 614262902 /nfs/dbraw/zinc/26/29/02/614262902.db2.gz QVCFTSAEGSPTND-MXWKQRLJSA-N 0 1 284.312 0.842 20 5 CCBDMN CC(C)N1CCO[C@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842334190 614366177 /nfs/dbraw/zinc/36/61/77/614366177.db2.gz PFBSOTYJIZOJAU-HBNTYKKESA-N 0 1 272.301 0.304 20 5 CCBDMN CCC(=O)N(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953674698 614450707 /nfs/dbraw/zinc/45/07/07/614450707.db2.gz BCABZHPMLYMNSE-GHMZBOCLSA-N 0 1 283.328 0.511 20 5 CCBDMN CCCCCN(CC(N)=O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839720611 614918552 /nfs/dbraw/zinc/91/85/52/614918552.db2.gz FFBIQCYAHRIXSO-RKDXNWHRSA-N 0 1 257.290 0.156 20 5 CCBDMN CCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978795312 614960643 /nfs/dbraw/zinc/96/06/43/614960643.db2.gz LDZZALKIAQTRFB-UTINFBMNSA-N 0 1 269.301 0.073 20 5 CCBDMN CCC[C@@]1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839776876 615032530 /nfs/dbraw/zinc/03/25/30/615032530.db2.gz NKQHVFJKZNARKK-CKYFFXLPSA-N 0 1 256.302 0.663 20 5 CCBDMN CCO[C@H]1C[C@@](O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839733977 615495547 /nfs/dbraw/zinc/49/55/47/615495547.db2.gz MUBYIQHFFFENFF-ORXSELOVSA-N 0 1 286.328 0.334 20 5 CCBDMN CC[C@H](C)NC(=O)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839555220 615673619 /nfs/dbraw/zinc/67/36/19/615673619.db2.gz LZYHKUYIAJWVHZ-DJLDLDEBSA-N 0 1 257.290 0.073 20 5 CCBDMN CN(C(=O)C1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953681026 615792525 /nfs/dbraw/zinc/79/25/25/615792525.db2.gz CAPJZATWPKROFE-VXGBXAGGSA-N 0 1 295.339 0.511 20 5 CCBDMN CN(C(=O)[O-])[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000827889047 615844733 /nfs/dbraw/zinc/84/47/33/615844733.db2.gz BIEYCDHERLDLDE-SECBINFHSA-N 0 1 283.288 0.475 20 5 CCBDMN CN(C)C(=O)CCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000802985435 615953937 /nfs/dbraw/zinc/95/39/37/615953937.db2.gz DHKMOEQELLXMQA-UHFFFAOYSA-N 0 1 269.257 0.948 20 5 CCBDMN CN1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000928569392 616287838 /nfs/dbraw/zinc/28/78/38/616287838.db2.gz PXIKKRUOTGTAPJ-LLVKDONJSA-N 0 1 279.296 0.794 20 5 CCBDMN COC(=O)C1=CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000862667047 616418288 /nfs/dbraw/zinc/41/82/88/616418288.db2.gz XOPJMRMTFZGJNF-SSDOTTSWSA-N 0 1 280.240 0.310 20 5 CCBDMN COC(=O)C1C[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)C1 ZINC000876090968 616469102 /nfs/dbraw/zinc/46/91/02/616469102.db2.gz UIQPPESUCXCPAB-OINDSLJFSA-N 0 1 284.312 0.840 20 5 CCBDMN COCCOc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839570329 616596902 /nfs/dbraw/zinc/59/69/02/616596902.db2.gz DMKVNGMZOKQWMT-VXGBXAGGSA-N 0 1 294.307 0.993 20 5 CCBDMN CO[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCSC1 ZINC000928496600 616940949 /nfs/dbraw/zinc/94/09/49/616940949.db2.gz VCYRBPORHFUDDG-NQMVMOMDSA-N 0 1 260.315 0.290 20 5 CCBDMN CNCc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000843222776 617002819 /nfs/dbraw/zinc/00/28/19/617002819.db2.gz VBZUSZOTKWQFBX-UHFFFAOYSA-N 0 1 252.234 0.406 20 5 CCBDMN C[NH2+]CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237140585 631734966 /nfs/dbraw/zinc/73/49/66/631734966.db2.gz WZRVGBNKEBTKJS-UHFFFAOYSA-N 0 1 293.732 0.746 20 5 CCBDMN O=[N+]([O-])CCN[C@@H]1CCCN(c2ncccn2)C1 ZINC000899872306 633913052 /nfs/dbraw/zinc/91/30/52/633913052.db2.gz YREUPIQVSMEPFT-SNVBAGLBSA-N 0 1 251.290 0.312 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2CC1(c1ncc[nH]1)C2 ZINC000912956776 636716867 /nfs/dbraw/zinc/71/68/67/636716867.db2.gz IQOCMOJWGGKTJU-HLXSOGAOSA-N 0 1 262.269 0.522 20 5 CCBDMN C[C@@H]1CN=C(NC(=O)c2n[nH]cc2[N+](=O)[O-])S1 ZINC000819775961 638858215 /nfs/dbraw/zinc/85/82/15/638858215.db2.gz JPJOYJNCYPFTHW-SCSAIBSYSA-N 0 1 255.259 0.539 20 5 CCBDMN O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839544682 640342083 /nfs/dbraw/zinc/34/20/83/640342083.db2.gz LXOLMTPCBKUUFD-HBNTYKKESA-N 0 1 291.311 0.227 20 5 CCBDMN O=C(NCc1cccc2c1OCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000839569737 640343392 /nfs/dbraw/zinc/34/33/92/640343392.db2.gz UQWGUMMCRATFJR-RKDXNWHRSA-N 0 1 264.237 0.697 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000839598680 640344962 /nfs/dbraw/zinc/34/49/62/640344962.db2.gz RVUSLSXLTGHXFS-FXBDTBDDSA-N 0 1 281.268 0.066 20 5 CCBDMN O=C(NCc1cccc(CO)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839657497 640348455 /nfs/dbraw/zinc/34/84/55/640348455.db2.gz CRFZRSNFNWLVAJ-GHMZBOCLSA-N 0 1 250.254 0.460 20 5 CCBDMN Cc1cccn2cc(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])nc12 ZINC000839695637 640350863 /nfs/dbraw/zinc/35/08/63/640350863.db2.gz JRAWWDUWVGIQCY-VXGBXAGGSA-N 0 1 288.307 0.967 20 5 CCBDMN Cc1ccccc1[C@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839681391 640352934 /nfs/dbraw/zinc/35/29/34/640352934.db2.gz WAZUQKWMGQAFPB-IJLUTSLNSA-N 0 1 264.281 0.810 20 5 CCBDMN C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCCCC1=O ZINC000839733617 640355215 /nfs/dbraw/zinc/35/52/15/640355215.db2.gz LBKIRSQYSCIDDZ-OPRDCNLKSA-N 0 1 269.301 0.169 20 5 CCBDMN CC(C)[C@@H](O)C(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713309 640356256 /nfs/dbraw/zinc/35/62/56/640356256.db2.gz SMAVVMPEMMDAND-OPRDCNLKSA-N 0 1 258.318 0.811 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2ncccc2F)CC1 ZINC000839716207 640356568 /nfs/dbraw/zinc/35/65/68/640356568.db2.gz NERLHZBOPCZJQL-MWLCHTKSSA-N 0 1 294.286 0.535 20 5 CCBDMN O=C(NC[C@@H](O)Cc1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839779655 640364463 /nfs/dbraw/zinc/36/44/63/640364463.db2.gz KLNXSODRJCCJEI-QJPTWQEYSA-N 0 1 282.271 0.511 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1noc(C(F)F)n1 ZINC000819574040 641420751 /nfs/dbraw/zinc/42/07/51/641420751.db2.gz UEFOROYRZLKQTA-VPENINKCSA-N 0 1 276.199 0.850 20 5 CCBDMN O=C(Nc1cccc2c1COC2=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840466472 641618809 /nfs/dbraw/zinc/61/88/09/641618809.db2.gz FMNLLNJFCZKWBO-GMSGAONNSA-N 0 1 262.221 0.961 20 5 CCBDMN C[S@@](=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000828439210 642094581 /nfs/dbraw/zinc/09/45/81/642094581.db2.gz DYDMSZVADSJFHQ-LJQANCHMSA-N 0 1 286.357 0.807 20 5 CCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC1CCCC1 ZINC000840673100 642785840 /nfs/dbraw/zinc/78/58/40/642785840.db2.gz ZLOVOJGZYMWXFQ-SZEHBUNVSA-N 0 1 270.285 0.642 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1-c1noc(CC(F)(F)CN)n1 ZINC000844917928 643254670 /nfs/dbraw/zinc/25/46/70/643254670.db2.gz XBYIZSWWQVZXEF-UHFFFAOYSA-N 0 1 288.214 0.515 20 5 CCBDMN O=C(OCc1cnn2c1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000845898368 643360224 /nfs/dbraw/zinc/36/02/24/643360224.db2.gz HGOBSEQXGGTCTC-MWLCHTKSSA-N 0 1 265.269 0.928 20 5 CCBDMN Cn1cc([C@H]2N(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2(C)C)cn1 ZINC000846155293 643383066 /nfs/dbraw/zinc/38/30/66/643383066.db2.gz SGCKWJZKOPTXNW-GMTAPVOTSA-N 0 1 278.312 0.995 20 5 CCBDMN O=C(N[C@@H]1CCc2ccccc2NC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000847148274 643490542 /nfs/dbraw/zinc/49/05/42/643490542.db2.gz AYFLBLRGQDWGGY-YUSALJHKSA-N 0 1 289.291 0.721 20 5 CCBDMN C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000853218461 644091463 /nfs/dbraw/zinc/09/14/63/644091463.db2.gz MHIHLVQASFJXCQ-ZETCQYMHSA-N 0 1 294.271 0.949 20 5 CCBDMN C[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ncnn21 ZINC000855324383 644303516 /nfs/dbraw/zinc/30/35/16/644303516.db2.gz ZWGMFOUJWDYMEY-LXGUWJNJSA-N 0 1 251.246 0.065 20 5 CCBDMN C[C@@H](c1ccccc1)[C@@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856289121 644406593 /nfs/dbraw/zinc/40/65/93/644406593.db2.gz LAXRUBXUSBPMPU-SQNXGDPESA-N 0 1 278.308 0.932 20 5 CCBDMN C[C@H]1CC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000859123042 644669561 /nfs/dbraw/zinc/66/95/61/644669561.db2.gz MCMHJZVDLWPEHR-JGVFFNPUSA-N 0 1 288.329 0.795 20 5 CCBDMN O=C(NCCN1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1F ZINC000863832571 645132961 /nfs/dbraw/zinc/13/29/61/645132961.db2.gz AEROBDJVZKFRMP-JTQLQIEISA-N 0 1 297.286 0.530 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000869806523 645928067 /nfs/dbraw/zinc/92/80/67/645928067.db2.gz CMKVPFHCVLLTID-FDYHWXHSSA-N 0 1 292.291 0.302 20 5 CCBDMN Cc1ccc(CNC(=O)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000870962121 646063021 /nfs/dbraw/zinc/06/30/21/646063021.db2.gz NOYPEQPXPMFHMR-GFCCVEGCSA-N 0 1 279.296 0.508 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000879612838 647083178 /nfs/dbraw/zinc/08/31/78/647083178.db2.gz QBZTUNWZMIGEGV-OLZOCXBDSA-N 0 1 282.296 0.401 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H]3C[C@@]3(O)C2)c1 ZINC000880418157 647198654 /nfs/dbraw/zinc/19/86/54/647198654.db2.gz CYKRUPDMZXOZEZ-RAIGVLPGSA-N 0 1 264.281 0.695 20 5 CCBDMN O=C(NC[C@@H]1CC[C@@H](C2CC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000887473969 648115333 /nfs/dbraw/zinc/11/53/33/648115333.db2.gz JBAGKMMNQLRJBK-ZDCRXTMVSA-N 0 1 254.286 0.725 20 5 CCBDMN Cn1cnc2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])ccc21 ZINC000927715942 648579537 /nfs/dbraw/zinc/57/95/37/648579537.db2.gz LQZRGNZPPSHLTF-BXKDBHETSA-N 0 1 274.280 0.855 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCN1C ZINC000928566462 648651021 /nfs/dbraw/zinc/65/10/21/648651021.db2.gz QBLSFPPDLOLMQT-JTQLQIEISA-N 0 1 281.316 0.310 20 5 CCBDMN O=C1CCCN1[C@@H]1CCCN(CC[N+](=O)[O-])CC1 ZINC000930725341 648895562 /nfs/dbraw/zinc/89/55/62/648895562.db2.gz DDPSBWINKKAEND-LLVKDONJSA-N 0 1 255.318 0.740 20 5 CCBDMN Cn1cc(CN2CC[C@@H](C3OCCO3)C2)c([N+](=O)[O-])n1 ZINC000931998664 649040201 /nfs/dbraw/zinc/04/02/01/649040201.db2.gz JERUBTIMBKHNBB-SECBINFHSA-N 0 1 282.300 0.523 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2[C@H](C1)OCCN2C ZINC000301641262 719372152 /nfs/dbraw/zinc/37/21/52/719372152.db2.gz GOKUWDPDTWNGFT-NEPJUHHUSA-N 0 1 278.312 0.817 20 5 CCBDMN Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCCN3C)n1 ZINC001164668790 719389405 /nfs/dbraw/zinc/38/94/05/719389405.db2.gz RXPIZPXVROMYCO-MNOVXSKESA-N 0 1 279.300 0.212 20 5 CCBDMN C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2sccc2[n-]1 ZINC001234847822 806309881 /nfs/dbraw/zinc/30/98/81/806309881.db2.gz LUCKCOCCWVUZSM-MRVPVSSYSA-N 0 1 284.361 0.987 20 5 CCBDMN COCCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001122393475 799221871 /nfs/dbraw/zinc/22/18/71/799221871.db2.gz HMQWSFKIYSPCBP-UHFFFAOYSA-N 0 1 281.312 0.837 20 5 CCBDMN CC(C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC001152629159 800543702 /nfs/dbraw/zinc/54/37/02/800543702.db2.gz HHGOGYXLYAORBL-SSDOTTSWSA-N 0 1 296.205 0.750 20 5 CCBDMN Cc1[nH]nc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])c1C ZINC001153979723 800696076 /nfs/dbraw/zinc/69/60/76/800696076.db2.gz UPHCYYRRGYUWGH-UHFFFAOYSA-N 0 1 264.245 0.588 20 5 CCBDMN O=C(NC[C@H](O)c1cnc[nH]1)c1ccc([N+](=O)[O-])s1 ZINC001155082826 800905851 /nfs/dbraw/zinc/90/58/51/800905851.db2.gz CNPYVKQJWIGAFA-ZETCQYMHSA-N 0 1 282.281 0.843 20 5 CCBDMN COc1nc(-n2c(C)ncc(CN)c2=N)ccc1[N+](=O)[O-] ZINC001156825601 801244053 /nfs/dbraw/zinc/24/40/53/801244053.db2.gz SHWYHFJNXTUSTL-UHFFFAOYSA-N 0 1 290.283 0.431 20 5 CCBDMN NCc1nnnn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001158074395 801563156 /nfs/dbraw/zinc/56/31/56/801563156.db2.gz CYCOJKGFRAUUSK-UHFFFAOYSA-N 0 1 255.625 0.078 20 5 CCBDMN C[N@@H+]1CCCC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001158366078 801627681 /nfs/dbraw/zinc/62/76/81/801627681.db2.gz VOMSFTBMEOSZNX-JTQLQIEISA-N 0 1 294.311 0.910 20 5 CCBDMN C[N@H+]1CCCC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001158366078 801627684 /nfs/dbraw/zinc/62/76/84/801627684.db2.gz VOMSFTBMEOSZNX-JTQLQIEISA-N 0 1 294.311 0.910 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3CC[C@@H]3C2)n1 ZINC001158430879 801647765 /nfs/dbraw/zinc/64/77/65/801647765.db2.gz KTYHFGGXPPTKJV-SECBINFHSA-N 0 1 292.295 0.671 20 5 CCBDMN Cc1nc(Cl)c([N+](=O)[O-])c(NC[C@@H]2COCCN2)n1 ZINC001159043807 801749075 /nfs/dbraw/zinc/74/90/75/801749075.db2.gz XLGSFGJMVRRAIR-SSDOTTSWSA-N 0 1 287.707 0.747 20 5 CCBDMN O=[N+]([O-])c1nccnc1NCc1nnc2n1CCCNC2 ZINC001163012121 802456714 /nfs/dbraw/zinc/45/67/14/802456714.db2.gz WUGNCGCARFQLAA-UHFFFAOYSA-N 0 1 290.287 0.082 20 5 CCBDMN C[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC001163069185 802472962 /nfs/dbraw/zinc/47/29/62/802472962.db2.gz IMEUJRANDKPBJT-JTQLQIEISA-N 0 1 297.359 0.610 20 5 CCBDMN COCCCN1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001165096927 802780126 /nfs/dbraw/zinc/78/01/26/802780126.db2.gz OIQWYJDHVKQSEK-UHFFFAOYSA-N 0 1 295.343 0.731 20 5 CCBDMN O=C1OCC[C@@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228240088 805423941 /nfs/dbraw/zinc/42/39/41/805423941.db2.gz FLIXYEALCGGEJO-VIFPVBQESA-N 0 1 291.219 0.938 20 5 CCBDMN COC(=O)[C@@H](C)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228606756 805458096 /nfs/dbraw/zinc/45/80/96/805458096.db2.gz RRUPPASKZFIUDL-RXMQYKEDSA-N 0 1 283.240 0.908 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cnc[nH]1 ZINC001252132121 807797331 /nfs/dbraw/zinc/79/73/31/807797331.db2.gz HVQWYFRJHZVJGH-UHFFFAOYSA-N 0 1 264.245 0.139 20 5 CCBDMN Cc1nc([C@@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC001258173014 808661374 /nfs/dbraw/zinc/66/13/74/808661374.db2.gz NCYJPEBWRQCUQW-ZCFIWIBFSA-N 0 1 279.260 0.095 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(C)CC2)n1 ZINC001261793338 809090645 /nfs/dbraw/zinc/09/06/45/809090645.db2.gz FLJOOQPTDRGCIE-UHFFFAOYSA-N 0 1 260.275 0.159 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H](c2nc[nH]n2)C1 ZINC001261861851 809112420 /nfs/dbraw/zinc/11/24/20/809112420.db2.gz IOZMKZKJWBHLLG-QMMMGPOBSA-N 0 1 288.267 0.738 20 5 CCBDMN Cc1nc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)oc1C ZINC001030292087 815961414 /nfs/dbraw/zinc/96/14/14/815961414.db2.gz SVATVCIPHVBXAU-GHMZBOCLSA-N 0 1 294.311 0.257 20 5 CCBDMN Cc1cc(C)c(-n2nnnc2CN)c(C)c1[N+](=O)[O-] ZINC001168920789 836054418 /nfs/dbraw/zinc/05/44/18/836054418.db2.gz ZQEMBKAKZKZZLH-UHFFFAOYSA-N 0 1 262.273 0.954 20 5 CCBDMN Cc1cc(C)n(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839476347 836483140 /nfs/dbraw/zinc/48/31/40/836483140.db2.gz JYQPWCMUHYAQSI-GHMZBOCLSA-N 0 1 266.301 0.671 20 5 CCBDMN CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1nn[nH]n1 ZINC001131169166 838011454 /nfs/dbraw/zinc/01/14/54/838011454.db2.gz BLSVSYXFKLAPEU-UHFFFAOYSA-N 0 1 284.182 0.663 20 5 CCBDMN CN(Cc1cnc[nH]1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001147079536 840489914 /nfs/dbraw/zinc/48/99/14/840489914.db2.gz AKPZYRRYMFCCDN-UHFFFAOYSA-N 0 1 276.256 0.567 20 5 CCBDMN O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC001175230112 842236414 /nfs/dbraw/zinc/23/64/14/842236414.db2.gz ABHLMKKVNLSIKV-QWWZWVQMSA-N 0 1 264.163 0.999 20 5 CCBDMN CCc1nc[nH]c1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001177810683 842685587 /nfs/dbraw/zinc/68/55/87/842685587.db2.gz UXYYEVKKTILFOZ-UHFFFAOYSA-N 0 1 250.218 0.856 20 5 CCBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])NC1(CO)COC1 ZINC001254538188 852673198 /nfs/dbraw/zinc/67/31/98/852673198.db2.gz RAMRNYUUFXRFRT-SNVBAGLBSA-N 0 1 266.297 0.877 20 5 CCBDMN O=C(NC/C=C\CNCc1nccs1)[C@@H]1CC1[N+](=O)[O-] ZINC001483006987 894794717 /nfs/dbraw/zinc/79/47/17/894794717.db2.gz CLXLZSCFQBKHEX-BSANDHCLSA-N 0 1 296.352 0.570 20 5 CCBDMN O=[N+]([O-])c1ncn(Cc2nc([C@H]3CCCN3)no2)n1 ZINC001326487263 913986175 /nfs/dbraw/zinc/98/61/75/913986175.db2.gz UBMOICZYUIXDPN-ZCFIWIBFSA-N 0 1 265.233 0.042 20 5 CCBDMN CC1(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001290043057 906107166 /nfs/dbraw/zinc/10/71/66/906107166.db2.gz AFJFDNLNIVZTMO-LMLFDSFASA-N 0 1 295.339 0.463 20 5 CCBDMN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1nnc[nH]1 ZINC001307085700 906178704 /nfs/dbraw/zinc/17/87/04/906178704.db2.gz GKNXVFJODXKYQP-ZCFIWIBFSA-N 0 1 276.256 0.985 20 5 CCBDMN O=C(C=C1CCC1)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298344464 907227171 /nfs/dbraw/zinc/22/71/71/907227171.db2.gz YCDGDSQVPTXZIZ-JZIZGNRHSA-N 0 1 293.323 0.551 20 5 CCBDMN Cc1[nH]ncc1CN(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC001299813070 907402710 /nfs/dbraw/zinc/40/27/10/907402710.db2.gz DTRARNFNCUEUIG-UHFFFAOYSA-N 0 1 290.283 0.876 20 5 CCBDMN Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC001337948585 921321999 /nfs/dbraw/zinc/32/19/99/921321999.db2.gz NULCPSKCQPLQGS-FSDSQADBSA-N 0 1 292.217 0.805 20 5 CCBDMN Cc1nnc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001492250574 907799249 /nfs/dbraw/zinc/79/92/49/907799249.db2.gz YAOGTSZGCMJHPX-RKDXNWHRSA-N 0 1 299.356 0.060 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C=CCCC2)n1 ZINC001328747130 915406482 /nfs/dbraw/zinc/40/64/82/915406482.db2.gz BMTCAHOAEMZZAL-QMMMGPOBSA-N 0 1 286.313 0.715 20 5 CCBDMN COc1ccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001331809236 917625794 /nfs/dbraw/zinc/62/57/94/917625794.db2.gz LMPFNKMFPMQNCI-NXEZZACHSA-N 0 1 265.269 0.414 20 5 CCBDMN COC[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC001341512866 922525420 /nfs/dbraw/zinc/52/54/20/922525420.db2.gz ARLBMQZYAXTSAK-LBPRGKRZSA-N 0 1 279.296 0.655 20 5 CCBDMN Cc1nc(NCCN2CC[C@H](O)C2)ncc1[N+](=O)[O-] ZINC001351361892 925408769 /nfs/dbraw/zinc/40/87/69/925408769.db2.gz SQGYKKUPNUGSOZ-VIFPVBQESA-N 0 1 267.289 0.172 20 5 CCBDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001593966627 956552401 /nfs/dbraw/zinc/55/24/01/956552401.db2.gz KHDTWBQBSQFXAP-GFCCVEGCSA-N 0 1 298.299 0.251 20 5 CCBDMN CCOCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000093312664 349537044 /nfs/dbraw/zinc/53/70/44/349537044.db2.gz OHOLPGYQGXZUAO-UHFFFAOYSA-N 0 1 269.301 0.725 20 5 CCBDMN O=C(NC[C@H]1C[C@@H](O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600510079 361999285 /nfs/dbraw/zinc/99/92/85/361999285.db2.gz ILYLJMUSXIMHIT-WKFQBHICSA-N 0 1 266.253 0.801 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCO[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000412433553 529466522 /nfs/dbraw/zinc/46/65/22/529466522.db2.gz HZLPLJNWIRMTKC-ZETCQYMHSA-N 0 1 286.263 0.691 20 5 CCBDMN Cc1cccc(C(=O)NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600535152 362004648 /nfs/dbraw/zinc/00/46/48/362004648.db2.gz WKKAVULTUHNLAC-LLVKDONJSA-N 0 1 293.323 0.700 20 5 CCBDMN O=[N+]([O-])c1ccc(CNC[C@H]2COCCN2)c(F)c1 ZINC000600678520 362032723 /nfs/dbraw/zinc/03/27/23/362032723.db2.gz SANCJPCOODIHSK-JTQLQIEISA-N 0 1 269.276 0.812 20 5 CCBDMN CCN1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602427176 362610639 /nfs/dbraw/zinc/61/06/39/362610639.db2.gz DDZVALHFGWHYOP-UHFFFAOYSA-N 0 1 253.306 0.466 20 5 CCBDMN CC[C@H]1[C@@H](CO)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602679182 362745363 /nfs/dbraw/zinc/74/53/63/362745363.db2.gz OZGAXJLLTMGQIR-KOLCDFICSA-N 0 1 268.317 0.921 20 5 CCBDMN CC(=O)N1CCCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602759370 362787352 /nfs/dbraw/zinc/78/73/52/362787352.db2.gz REYOGFIVIASOHS-UHFFFAOYSA-N 0 1 295.343 0.654 20 5 CCBDMN C[C@H]1[C@H](CO)CCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602847605 362834335 /nfs/dbraw/zinc/83/43/35/362834335.db2.gz YJCRKWNMHQXWSB-UWVGGRQHSA-N 0 1 268.317 0.921 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CC(N)=O)c1[N+](=O)[O-] ZINC000343057201 137112736 /nfs/dbraw/zinc/11/27/36/137112736.db2.gz RSJOKAVTHIDHER-MRVPVSSYSA-N 0 1 295.299 0.496 20 5 CCBDMN Cc1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])n2C)n[nH]1 ZINC000343343659 137129672 /nfs/dbraw/zinc/12/96/72/137129672.db2.gz NUHQLDWEHXHHBC-ZCFIWIBFSA-N 0 1 278.272 0.851 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000344421114 137193561 /nfs/dbraw/zinc/19/35/61/137193561.db2.gz KTDKOEDDSVVPTH-NXEZZACHSA-N 0 1 296.331 0.127 20 5 CCBDMN C[C@@]1(CO)C[C@H](O)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000602903783 362876734 /nfs/dbraw/zinc/87/67/34/362876734.db2.gz BPRZNITVBRPYJG-FZMZJTMJSA-N 0 1 296.323 0.791 20 5 CCBDMN COCCOCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345606686 137242481 /nfs/dbraw/zinc/24/24/81/137242481.db2.gz RCTMZNJPZTYVST-UHFFFAOYSA-N 0 1 272.261 0.101 20 5 CCBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(N)=O ZINC000049240942 348447008 /nfs/dbraw/zinc/44/70/08/348447008.db2.gz DIICAYHRKATVKN-JGVFFNPUSA-N 0 1 280.284 0.829 20 5 CCBDMN CC[C@H](CO)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000078522774 349141657 /nfs/dbraw/zinc/14/16/57/349141657.db2.gz FHZGEYZZJYOGAU-LLVKDONJSA-N 0 1 280.328 0.883 20 5 CCBDMN O=C(COc1ccc([N+](=O)[O-])cc1)NCCc1nc[nH]n1 ZINC000080579929 349219143 /nfs/dbraw/zinc/21/91/43/349219143.db2.gz PNVZJMYODVGEFQ-UHFFFAOYSA-N 0 1 291.267 0.451 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000083798358 349310458 /nfs/dbraw/zinc/31/04/58/349310458.db2.gz ZJQFIDLIJPILQB-UHFFFAOYSA-N 0 1 282.647 0.691 20 5 CCBDMN COc1cc(C(=O)N2CC(N(C)C)C2)ccc1[N+](=O)[O-] ZINC000134931751 350380398 /nfs/dbraw/zinc/38/03/98/350380398.db2.gz URJMQOXVVYOBSB-UHFFFAOYSA-N 0 1 279.296 0.989 20 5 CCBDMN COC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000159675838 350684886 /nfs/dbraw/zinc/68/48/86/350684886.db2.gz LVGCSDNTEKTUKW-VIFPVBQESA-N 0 1 253.258 0.815 20 5 CCBDMN CN(C)CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000170764256 350859010 /nfs/dbraw/zinc/85/90/10/350859010.db2.gz CMFDUFYJIVJEHX-UHFFFAOYSA-N 0 1 251.286 0.815 20 5 CCBDMN COc1c(C(=O)N(C)Cc2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000121969452 187007703 /nfs/dbraw/zinc/00/77/03/187007703.db2.gz OVWCSNZFWBWGAY-UHFFFAOYSA-N 0 1 291.267 0.994 20 5 CCBDMN Cc1nn(C)c(C(=O)NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000194106140 351855815 /nfs/dbraw/zinc/85/58/15/351855815.db2.gz QULUOYWFWRXKPQ-UHFFFAOYSA-N 0 1 295.343 0.852 20 5 CCBDMN O=C(NCCCCO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000194964802 351891825 /nfs/dbraw/zinc/89/18/25/351891825.db2.gz ZTYHYAUYQIYYAR-UHFFFAOYSA-N 0 1 278.268 0.973 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1COCCN1 ZINC000235740896 352187824 /nfs/dbraw/zinc/18/78/24/352187824.db2.gz JPXLRVZKLHIQFQ-JTQLQIEISA-N 0 1 279.296 0.621 20 5 CCBDMN CC(C)(NC(=O)[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000236670159 352203080 /nfs/dbraw/zinc/20/30/80/352203080.db2.gz IWCLZAPHOFMNBP-LBPRGKRZSA-N 0 1 293.323 0.935 20 5 CCBDMN C[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000604197923 363181265 /nfs/dbraw/zinc/18/12/65/363181265.db2.gz BREDULPDRFFSEG-QMMMGPOBSA-N 0 1 280.284 0.519 20 5 CCBDMN C[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000604197923 363181269 /nfs/dbraw/zinc/18/12/69/363181269.db2.gz BREDULPDRFFSEG-QMMMGPOBSA-N 0 1 280.284 0.519 20 5 CCBDMN CCC(CC)[C@@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270754488 352979175 /nfs/dbraw/zinc/97/91/75/352979175.db2.gz VGGPZPILCIOLPU-VIFPVBQESA-N 0 1 270.289 0.845 20 5 CCBDMN NC(=O)N[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000270675143 352966555 /nfs/dbraw/zinc/96/65/55/352966555.db2.gz MBAOFRXSBYXQAP-SNVBAGLBSA-N 0 1 294.311 0.716 20 5 CCBDMN CC[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1O ZINC000270944186 353006512 /nfs/dbraw/zinc/00/65/12/353006512.db2.gz RXGYZLACCQBIMH-RNCFNFMXSA-N 0 1 293.323 0.896 20 5 CCBDMN COC[C@@H](O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272644629 353082136 /nfs/dbraw/zinc/08/21/36/353082136.db2.gz FBXSTPQFNARUGS-JTQLQIEISA-N 0 1 284.268 0.428 20 5 CCBDMN CCN(CC(=O)OC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274638563 353148330 /nfs/dbraw/zinc/14/83/30/353148330.db2.gz AFNKLQDQWVQTLV-UHFFFAOYSA-N 0 1 282.252 0.936 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1CO ZINC000274727640 353156506 /nfs/dbraw/zinc/15/65/06/353156506.db2.gz ARELDGPCWZJTDP-SECBINFHSA-N 0 1 266.253 0.897 20 5 CCBDMN C[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN1 ZINC000155124654 188184876 /nfs/dbraw/zinc/18/48/76/188184876.db2.gz VZUDKQTWJQCXOS-NSHDSACASA-N 0 1 292.339 0.851 20 5 CCBDMN C[C@@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCOC1=O ZINC000292505620 198313162 /nfs/dbraw/zinc/31/31/62/198313162.db2.gz PJKYZRCNTLVJLC-GFCCVEGCSA-N 0 1 280.236 0.736 20 5 CCBDMN Nc1nc(NCCN2CC=CCC2)ncc1[N+](=O)[O-] ZINC000280213632 353347277 /nfs/dbraw/zinc/34/72/77/353347277.db2.gz KHYYAIJLVHWALB-UHFFFAOYSA-N 0 1 264.289 0.641 20 5 CCBDMN Cc1ccc(CN[C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000295563389 353904194 /nfs/dbraw/zinc/90/41/94/353904194.db2.gz LBOCFJYSXWZFTN-ZYHUDNBSSA-N 0 1 252.270 0.753 20 5 CCBDMN CN1CC2(C1)CCN(C(=O)c1ccc([N+](=O)[O-])o1)C2 ZINC000619251581 366224114 /nfs/dbraw/zinc/22/41/14/366224114.db2.gz BVCXQYHGBQDVIL-UHFFFAOYSA-N 0 1 265.269 0.966 20 5 CCBDMN C[C@@H](CO[C@H]1CCOC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000332361602 354654174 /nfs/dbraw/zinc/65/41/74/354654174.db2.gz XXCLOWZNPMOCAY-YUMQZZPRSA-N 0 1 284.272 0.242 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000342798867 355749008 /nfs/dbraw/zinc/74/90/08/355749008.db2.gz YDIWZFUHVKAEAX-UHFFFAOYSA-N 0 1 291.267 0.104 20 5 CCBDMN Cc1cc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000609594662 363508224 /nfs/dbraw/zinc/50/82/24/363508224.db2.gz BIBZWYMXIRHGAW-UHFFFAOYSA-N 0 1 264.245 0.139 20 5 CCBDMN O=C(NCc1c[nH]nn1)c1csc([N+](=O)[O-])c1 ZINC000610486903 363566161 /nfs/dbraw/zinc/56/61/61/363566161.db2.gz XRWNNVSLRNZRDU-UHFFFAOYSA-N 0 1 253.243 0.704 20 5 CCBDMN CCCc1n[nH]c(C(=O)NCc2c[nH]nn2)c1[N+](=O)[O-] ZINC000610486869 363566541 /nfs/dbraw/zinc/56/65/41/363566541.db2.gz PSEPMLLJTZTVFP-UHFFFAOYSA-N 0 1 279.260 0.319 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](Cn2ccnn2)C1 ZINC000370936344 357361318 /nfs/dbraw/zinc/36/13/18/357361318.db2.gz IVKMHGAAOGJNPM-GMTAPVOTSA-N 0 1 279.300 0.182 20 5 CCBDMN CNC(=O)[C@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294290718 198985634 /nfs/dbraw/zinc/98/56/34/198985634.db2.gz MTBPYJZTBOUXLH-SFYZADRCSA-N 0 1 266.301 0.962 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CCN3C[C@H](O)C[C@H]3C2)s1 ZINC000405338099 357825139 /nfs/dbraw/zinc/82/51/39/357825139.db2.gz BFPQLVMZKDNSDZ-JGVFFNPUSA-N 0 1 270.314 0.307 20 5 CCBDMN O=C(NCc1c[nH]nn1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610663291 363591725 /nfs/dbraw/zinc/59/17/25/363591725.db2.gz ZYOFEBKLESZDFU-UHFFFAOYSA-N 0 1 291.223 0.372 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC(C)(O)CC2)c1[N+](=O)[O-] ZINC000408278361 358005508 /nfs/dbraw/zinc/00/55/08/358005508.db2.gz VKXILGDSPWCVKL-UHFFFAOYSA-N 0 1 268.273 0.613 20 5 CCBDMN CCc1nc(CNc2c([N+](=O)[O-])c(C)nn2C)n[nH]1 ZINC000294944613 199263261 /nfs/dbraw/zinc/26/32/61/199263261.db2.gz LVBDBCJHFWNJEW-UHFFFAOYSA-N 0 1 265.277 0.929 20 5 CCBDMN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 ZINC000590044255 359418460 /nfs/dbraw/zinc/41/84/60/359418460.db2.gz JFQYYMIETYYUCM-RKDXNWHRSA-N 0 1 265.269 0.964 20 5 CCBDMN CC[C@@H]1CN(C)CCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000590522893 359480373 /nfs/dbraw/zinc/48/03/73/359480373.db2.gz FFOQKJKWZVWNEF-LLVKDONJSA-N 0 1 295.343 0.652 20 5 CCBDMN Cc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ncn1 ZINC000591757391 359653960 /nfs/dbraw/zinc/65/39/60/359653960.db2.gz UNSQRDSWWKGEBX-LBPRGKRZSA-N 0 1 292.299 0.040 20 5 CCBDMN [NH3+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000592294646 359813573 /nfs/dbraw/zinc/81/35/73/359813573.db2.gz WWICRZDWUAMEAV-SSDOTTSWSA-N 0 1 266.257 0.116 20 5 CCBDMN O=C(NCC1(CO)CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000611212649 363682826 /nfs/dbraw/zinc/68/28/26/363682826.db2.gz VXOFAPPEANVASB-UHFFFAOYSA-N 0 1 282.300 0.991 20 5 CCBDMN C[C@]1(C(=O)[O-])CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593746530 360146654 /nfs/dbraw/zinc/14/66/54/360146654.db2.gz RZUHKOCEWJDOMB-CMPLNLGQSA-N 0 1 298.299 0.091 20 5 CCBDMN C[C@H](CO)N[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000593919841 360216043 /nfs/dbraw/zinc/21/60/43/360216043.db2.gz GELRPOSRUOIQFW-KCJUWKMLSA-N 0 1 293.279 0.197 20 5 CCBDMN CO[C@@](C)(CO)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000594400828 360293172 /nfs/dbraw/zinc/29/31/72/360293172.db2.gz ZPEMDPMSEXMLKC-GFCCVEGCSA-N 0 1 284.268 0.428 20 5 CCBDMN C[C@@H]1C[C@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594749683 360376076 /nfs/dbraw/zinc/37/60/76/360376076.db2.gz WRPCWDIJQDNPFZ-SFYZADRCSA-N 0 1 271.298 0.924 20 5 CCBDMN COC[C@@H](C)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594750691 360376139 /nfs/dbraw/zinc/37/61/39/360376139.db2.gz NBHZUMKEEVKOSB-QMMMGPOBSA-N 0 1 289.313 0.551 20 5 CCBDMN CC(C)[C@@H](O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761516 360377837 /nfs/dbraw/zinc/37/78/37/360377837.db2.gz YXZBIGVZMVUOLK-VIFPVBQESA-N 0 1 289.313 0.285 20 5 CCBDMN CN1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000611525276 363733934 /nfs/dbraw/zinc/73/39/34/363733934.db2.gz SQWXZLRPPBWSRI-UHFFFAOYSA-N 0 1 266.301 0.421 20 5 CCBDMN Cc1noc(CN[C@@H](CO)C2CCOCC2)c1[N+](=O)[O-] ZINC000595426967 360528329 /nfs/dbraw/zinc/52/83/29/360528329.db2.gz VBEPIICIDBIDOT-JTQLQIEISA-N 0 1 285.300 0.768 20 5 CCBDMN C[C@@H](O)C1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000595361809 360507552 /nfs/dbraw/zinc/50/75/52/360507552.db2.gz RPPMLTAEGKULFA-SSDOTTSWSA-N 0 1 287.297 0.182 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1cnc[nH]1 ZINC000595593570 360590942 /nfs/dbraw/zinc/59/09/42/360590942.db2.gz WQAIRELWTIEROB-UHFFFAOYSA-N 0 1 277.284 0.612 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])cn1)Cc1cnc[nH]1 ZINC000595595180 360592517 /nfs/dbraw/zinc/59/25/17/360592517.db2.gz DLVXARVEOPFKOU-UHFFFAOYSA-N 0 1 250.262 0.646 20 5 CCBDMN O=[N+]([O-])c1ccc(OCCN2CCC(O)(CO)CC2)cc1 ZINC000595737030 360634865 /nfs/dbraw/zinc/63/48/65/360634865.db2.gz PJAMLMOSIVWZLT-UHFFFAOYSA-N 0 1 296.323 0.793 20 5 CCBDMN CN1CC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C2 ZINC000597568941 361141599 /nfs/dbraw/zinc/14/15/99/361141599.db2.gz RTTZISYIWPPZQD-UHFFFAOYSA-N 0 1 265.273 0.096 20 5 CCBDMN CC(C)(C)N1CC[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000597861754 361272238 /nfs/dbraw/zinc/27/22/38/361272238.db2.gz WXJAPBCDTVEJFS-MRVPVSSYSA-N 0 1 281.316 0.921 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000598162953 361346196 /nfs/dbraw/zinc/34/61/96/361346196.db2.gz LKPBEMRFLHKLMI-UHFFFAOYSA-N 0 1 296.302 0.950 20 5 CCBDMN COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000598429736 361413225 /nfs/dbraw/zinc/41/32/25/361413225.db2.gz ZUXMWGLIUOIFHS-OCAPTIKFSA-N 0 1 296.283 0.650 20 5 CCBDMN CCCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599203148 361611065 /nfs/dbraw/zinc/61/10/65/361611065.db2.gz IXXYTUJHUBRUMF-UHFFFAOYSA-N 0 1 262.291 0.407 20 5 CCBDMN C[C@@H]1C[C@H]1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599216208 361613473 /nfs/dbraw/zinc/61/34/73/361613473.db2.gz NGCLUTYSMTYDFW-RQJHMYQMSA-N 0 1 274.302 0.263 20 5 CCBDMN COCC[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599228349 361615247 /nfs/dbraw/zinc/61/52/47/361615247.db2.gz ANYIYGOFFBLOFA-SSDOTTSWSA-N 0 1 292.317 0.032 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1C[C@@H](O)C1 ZINC000599480038 361716815 /nfs/dbraw/zinc/71/68/15/361716815.db2.gz QOHYKCFTLYSJSS-OCAPTIKFSA-N 0 1 287.297 0.039 20 5 CCBDMN O=c1[nH]nc2n1CCN(c1ncccc1[N+](=O)[O-])C2 ZINC000613073449 364102466 /nfs/dbraw/zinc/10/24/66/364102466.db2.gz NUNVAJPAVNHLEQ-UHFFFAOYSA-N 0 1 262.229 0.307 20 5 CCBDMN COc1cc(C(=O)NCc2c[nH]nn2)cc([N+](=O)[O-])c1C ZINC000616362924 365289021 /nfs/dbraw/zinc/28/90/21/365289021.db2.gz CEUFELGCPPURDG-UHFFFAOYSA-N 0 1 291.267 0.960 20 5 CCBDMN O=C(N[C@H](CO)CN1CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000330801344 203252229 /nfs/dbraw/zinc/25/22/29/203252229.db2.gz IYGDOQXAPWXLAI-JTQLQIEISA-N 0 1 296.327 0.500 20 5 CCBDMN COC(=O)c1cnc(NCCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000276577948 193386743 /nfs/dbraw/zinc/38/67/43/193386743.db2.gz AQCMXTCDDJHOPQ-UHFFFAOYSA-N 0 1 292.255 0.549 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000264441315 190109990 /nfs/dbraw/zinc/10/99/90/190109990.db2.gz QCCSEGFTPPAEBJ-ZETCQYMHSA-N 0 1 254.246 0.487 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000264556486 190118564 /nfs/dbraw/zinc/11/85/64/190118564.db2.gz MAPRTQLDCAZESV-SSDOTTSWSA-N 0 1 268.273 0.477 20 5 CCBDMN NC(=O)[C@@H]1CCCN1CCCNc1ncccc1[N+](=O)[O-] ZINC000264632093 190124069 /nfs/dbraw/zinc/12/40/69/190124069.db2.gz UEIZDYZZVYYNNX-JTQLQIEISA-N 0 1 293.327 0.742 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000264670141 190127777 /nfs/dbraw/zinc/12/77/77/190127777.db2.gz LKZBBFNXKSRWBJ-SSDOTTSWSA-N 0 1 295.299 0.218 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CCC(O)CC2)c1[N+](=O)[O-] ZINC000265624915 190195082 /nfs/dbraw/zinc/19/50/82/190195082.db2.gz IHLADMCLQWSBIJ-UHFFFAOYSA-N 0 1 282.300 0.867 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCO[C@H](COC)C2)c1[N+](=O)[O-] ZINC000266779404 190280501 /nfs/dbraw/zinc/28/05/01/190280501.db2.gz QYFGGYJLAPLPBS-QMMMGPOBSA-N 0 1 298.299 0.368 20 5 CCBDMN COC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000279339826 194391675 /nfs/dbraw/zinc/39/16/75/194391675.db2.gz DTLUXSQKKHKBAH-IONNQARKSA-N 0 1 284.272 0.242 20 5 CCBDMN CNc1nc(C(=O)NCc2cn[nH]c2C)ccc1[N+](=O)[O-] ZINC000454544312 533077663 /nfs/dbraw/zinc/07/76/63/533077663.db2.gz CVWQXIXQEKRPFT-UHFFFAOYSA-N 0 1 290.283 0.993 20 5 CCBDMN CN(C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000012141572 388778344 /nfs/dbraw/zinc/77/83/44/388778344.db2.gz RTSNVCLQEWYMSD-UHFFFAOYSA-N 0 1 287.341 0.576 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000330966084 389266949 /nfs/dbraw/zinc/26/69/49/389266949.db2.gz LHNBSVDFDLSMHH-PELKAZGASA-N 0 1 296.279 0.522 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153543284 389303352 /nfs/dbraw/zinc/30/33/52/389303352.db2.gz HIHVCZHREUPHKA-DTORHVGOSA-N 0 1 281.316 0.309 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000331560913 389308068 /nfs/dbraw/zinc/30/80/68/389308068.db2.gz VAJDXGNZWFEODS-LPEHRKFASA-N 0 1 294.311 0.859 20 5 CCBDMN COC(=O)CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269142326 389404425 /nfs/dbraw/zinc/40/44/25/389404425.db2.gz NYEIFGPZNFYTIC-UHFFFAOYSA-N 0 1 282.252 0.983 20 5 CCBDMN CN1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1=O ZINC000269172109 389406129 /nfs/dbraw/zinc/40/61/29/389406129.db2.gz IFJPFZUFTWUHBO-VIFPVBQESA-N 0 1 293.279 0.651 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](O)C1 ZINC000269282889 389412844 /nfs/dbraw/zinc/41/28/44/389412844.db2.gz MBEKRTGHHFRVBY-SNVBAGLBSA-N 0 1 266.253 0.897 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ncon2)c1[N+](=O)[O-] ZINC000272063136 389462088 /nfs/dbraw/zinc/46/20/88/389462088.db2.gz GTJKYMZKUOYQFG-UHFFFAOYSA-N 0 1 294.271 0.926 20 5 CCBDMN O=C(NC[C@@H]1CC[C@@H](CO)O1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000349694497 389421486 /nfs/dbraw/zinc/42/14/86/389421486.db2.gz MYLLBATYAPXTPN-RYUDHWBXSA-N 0 1 296.279 0.570 20 5 CCBDMN CC(C)(C)c1nc(CNc2ncc([N+](=O)[O-])c(N)n2)n[nH]1 ZINC000413422689 389508061 /nfs/dbraw/zinc/50/80/61/389508061.db2.gz TUSWNQMTKATKRA-UHFFFAOYSA-N 0 1 292.303 0.825 20 5 CCBDMN CC[C@@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274181583 389495491 /nfs/dbraw/zinc/49/54/91/389495491.db2.gz JNWLKVHIDPFGMS-QMMMGPOBSA-N 0 1 254.242 0.801 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2[nH]nnc2c1 ZINC000177843344 389592187 /nfs/dbraw/zinc/59/21/87/389592187.db2.gz PYHGONOVAXVYBN-UHFFFAOYSA-N 0 1 287.239 0.701 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000351866726 389703546 /nfs/dbraw/zinc/70/35/46/389703546.db2.gz XMDAJNMDDUYJSU-POYBYMJQSA-N 0 1 268.273 0.333 20 5 CCBDMN C[C@H]1C(=O)N(C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428569550 389707455 /nfs/dbraw/zinc/70/74/55/389707455.db2.gz WLSHUMSSFARNNN-QMMMGPOBSA-N 0 1 293.279 0.603 20 5 CCBDMN O=C(N[C@H]1Cc2cccc(O)c2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000430496018 389803079 /nfs/dbraw/zinc/80/30/79/389803079.db2.gz CRESDWUNGHIRRT-QMMMGPOBSA-N 0 1 288.263 0.921 20 5 CCBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)[C@H](C)CN1C ZINC000408219066 389835678 /nfs/dbraw/zinc/83/56/78/389835678.db2.gz LEJKJVBJFPRNOR-RKDXNWHRSA-N 0 1 251.290 0.914 20 5 CCBDMN CC(C)[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000489313070 390099228 /nfs/dbraw/zinc/09/92/28/390099228.db2.gz KOMSVERXSYPGRZ-LBPRGKRZSA-N 0 1 295.343 0.590 20 5 CCBDMN COC(=O)N1CC(NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000496319759 390339858 /nfs/dbraw/zinc/33/98/58/390339858.db2.gz DCGLHBKTNZIKMO-LBPRGKRZSA-N 0 1 295.295 0.668 20 5 CCBDMN CN(C)C(=O)O[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000497247580 390443841 /nfs/dbraw/zinc/44/38/41/390443841.db2.gz UHXXBOUYUYJXKQ-IVZWLZJFSA-N 0 1 285.300 0.341 20 5 CCBDMN COc1c(C(=O)N2CC(N(C)C)C2)cccc1[N+](=O)[O-] ZINC000356639188 144021919 /nfs/dbraw/zinc/02/19/19/144021919.db2.gz VQRQUHWNRLLUDY-UHFFFAOYSA-N 0 1 279.296 0.989 20 5 CCBDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000356886851 144040908 /nfs/dbraw/zinc/04/09/08/144040908.db2.gz TVCCGXGOCBJCNQ-VHSXEESVSA-N 0 1 281.316 0.342 20 5 CCBDMN Cc1cc(C)c([N+](=O)[O-])c(Nc2ccn(CC(N)=O)n2)n1 ZINC000359112685 144194650 /nfs/dbraw/zinc/19/46/50/144194650.db2.gz YLOVKBIKKMFJIF-UHFFFAOYSA-N 0 1 290.283 0.454 20 5 CCBDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000370308588 144297500 /nfs/dbraw/zinc/29/75/00/144297500.db2.gz IJBXMTBDGDKFPV-IWSPIJDZSA-N 0 1 265.273 0.176 20 5 CCBDMN Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000371451300 144332332 /nfs/dbraw/zinc/33/23/32/144332332.db2.gz ATERZONFSHIBRD-OPRDCNLKSA-N 0 1 280.284 0.749 20 5 CCBDMN CN(C(=O)c1ccnc(N)c1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000548748285 286065047 /nfs/dbraw/zinc/06/50/47/286065047.db2.gz FEAKPJSIFHLIGS-VIFPVBQESA-N 0 1 293.327 0.569 20 5 CCBDMN C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)N(C)C ZINC000451926087 286876375 /nfs/dbraw/zinc/87/63/75/286876375.db2.gz HKHRQGSQZYZYQX-ZETCQYMHSA-N 0 1 293.370 0.885 20 5 CCBDMN CC(C)C(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001017441727 649855975 /nfs/dbraw/zinc/85/59/75/649855975.db2.gz CORYALXSPKVTNG-VXGBXAGGSA-N 0 1 295.339 0.583 20 5 CCBDMN O=c1[nH]nc2n1CCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000332614463 280364076 /nfs/dbraw/zinc/36/40/76/280364076.db2.gz VCKSLZRIQFJLPQ-UHFFFAOYSA-N 0 1 275.268 0.908 20 5 CCBDMN CC[C@H]1CN(C)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000582782431 329189665 /nfs/dbraw/zinc/18/96/65/329189665.db2.gz UPHYZHXJCVVYJU-JTQLQIEISA-N 0 1 267.333 0.854 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000576036965 335143859 /nfs/dbraw/zinc/14/38/59/335143859.db2.gz CWXVROXBCOXWSN-BDAKNGLRSA-N 0 1 292.295 0.377 20 5 CCBDMN C[C@@H](O)[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000412090382 533857413 /nfs/dbraw/zinc/85/74/13/533857413.db2.gz PGDGUGQVVVOLCS-NOZJJQNGSA-N 0 1 282.296 0.882 20 5 CCBDMN CC1=CCN(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000354687944 520873524 /nfs/dbraw/zinc/87/35/24/520873524.db2.gz FPUFIWANKVRZBO-UHFFFAOYSA-N 0 1 279.300 0.700 20 5 CCBDMN CCNC(=O)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000354230775 521745911 /nfs/dbraw/zinc/74/59/11/521745911.db2.gz NTFZKSWOPMMFHT-MRVPVSSYSA-N 0 1 283.288 0.208 20 5 CCBDMN CN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000062351320 523907482 /nfs/dbraw/zinc/90/74/82/523907482.db2.gz UZOKYPHFGUSOTF-ZDUSSCGKSA-N 0 1 265.313 0.876 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000340872475 525465269 /nfs/dbraw/zinc/46/52/69/525465269.db2.gz OPZKXFAYWXOSNH-QMMMGPOBSA-N 0 1 268.273 0.877 20 5 CCBDMN CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000456396485 527851571 /nfs/dbraw/zinc/85/15/71/527851571.db2.gz AJUYJKVQJVXDCV-SFYZADRCSA-N 0 1 296.283 0.780 20 5 CCBDMN CCNC(=O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427923880 528103563 /nfs/dbraw/zinc/10/35/63/528103563.db2.gz HOVURZXPZCVHNE-UHFFFAOYSA-N 0 1 267.241 0.166 20 5 CCBDMN CCN1C[C@H](C)N(c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1C ZINC000345168393 535781472 /nfs/dbraw/zinc/78/14/72/535781472.db2.gz FIUGBUGBICAETE-BDAKNGLRSA-N 0 1 280.332 0.716 20 5 CCBDMN CC(C)OC(=O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780477593 581229984 /nfs/dbraw/zinc/22/99/84/581229984.db2.gz WSTSAXPHSGQUBH-UHFFFAOYSA-N 0 1 282.252 0.982 20 5 CCBDMN O=C([O-])[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000739583830 581575501 /nfs/dbraw/zinc/57/55/01/581575501.db2.gz XDKJHAVIJDPLEB-MRVPVSSYSA-N 0 1 254.246 0.545 20 5 CCBDMN O=C([O-])[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000739583830 581575503 /nfs/dbraw/zinc/57/55/03/581575503.db2.gz XDKJHAVIJDPLEB-MRVPVSSYSA-N 0 1 254.246 0.545 20 5 CCBDMN O=C(OCCNc1cccnn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000754691514 581605361 /nfs/dbraw/zinc/60/53/61/581605361.db2.gz SIKZYHMQWPYJOP-UHFFFAOYSA-N 0 1 277.240 0.982 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC000731192083 581756619 /nfs/dbraw/zinc/75/66/19/581756619.db2.gz QBVYKSXFAJDWDI-UHFFFAOYSA-N 0 1 282.256 0.215 20 5 CCBDMN O=C([O-])C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000819379770 597089297 /nfs/dbraw/zinc/08/92/97/597089297.db2.gz ACDJUWKCBKIDRA-SNVBAGLBSA-N 0 1 282.300 0.978 20 5 CCBDMN O=C([O-])[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000819287388 601113200 /nfs/dbraw/zinc/11/32/00/601113200.db2.gz SVBLTSLKAGWLRU-MRVPVSSYSA-N 0 1 254.246 0.198 20 5 CCBDMN CC(C)[C@@H](N)c1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000843148444 614119661 /nfs/dbraw/zinc/11/96/61/614119661.db2.gz RWUVVFQNFREYOU-SECBINFHSA-N 0 1 266.261 0.878 20 5 CCBDMN CC(C)(CO)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000848247950 614124754 /nfs/dbraw/zinc/12/47/54/614124754.db2.gz XDFNYNWPVQIMKF-BBBLOLIVSA-N 0 1 256.302 0.565 20 5 CCBDMN COc1ccc([C@@H](O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839525244 617279380 /nfs/dbraw/zinc/27/93/80/617279380.db2.gz VRRRFUJXPZABLD-UTUOFQBUSA-N 0 1 280.280 0.510 20 5 CCBDMN CC(=O)N(C)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000862838545 613754602 /nfs/dbraw/zinc/75/46/02/613754602.db2.gz UHFRCWAOWXJKMJ-CHWSQXEVSA-N 0 1 291.307 0.951 20 5 CCBDMN CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973257987 613891786 /nfs/dbraw/zinc/89/17/86/613891786.db2.gz PWBDGWJKKGOGMC-ZYUZMQFOSA-N 0 1 283.328 0.461 20 5 CCBDMN CC(C)(C)OC(=O)N1CC[C@@H]1CNCC[N+](=O)[O-] ZINC000905592241 613978380 /nfs/dbraw/zinc/97/83/80/613978380.db2.gz MRHUJSMEHLITFG-SECBINFHSA-N 0 1 259.306 0.862 20 5 CCBDMN CC(C)(CO)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886068122 614120967 /nfs/dbraw/zinc/12/09/67/614120967.db2.gz RWOOIHWHOHVEGB-UHFFFAOYSA-N 0 1 294.355 0.878 20 5 CCBDMN CC(C)(C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C(N)=O ZINC000839781250 614127507 /nfs/dbraw/zinc/12/75/07/614127507.db2.gz LDICKLNPFVYFPH-HBNTYKKESA-N 0 1 297.355 0.792 20 5 CCBDMN CC(C)Cn1ccnc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839688244 614243143 /nfs/dbraw/zinc/24/31/43/614243143.db2.gz BKNUAPYPODUKFK-NXEZZACHSA-N 0 1 266.301 0.821 20 5 CCBDMN CC1(C(=O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000863061866 614422734 /nfs/dbraw/zinc/42/27/34/614422734.db2.gz BJDQYOFKDORWJJ-RKDXNWHRSA-N 0 1 254.286 0.917 20 5 CCBDMN CCN(C)C(=O)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819242134 614838630 /nfs/dbraw/zinc/83/86/30/614838630.db2.gz AKBPCYIOAWLVPH-GFCCVEGCSA-N 0 1 281.312 0.696 20 5 CCBDMN CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976476039 614883909 /nfs/dbraw/zinc/88/39/09/614883909.db2.gz ZPYANBAFGVUEOP-GPTQDWHKSA-N 0 1 281.312 0.025 20 5 CCBDMN CCCCCNC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673214 614924535 /nfs/dbraw/zinc/92/45/35/614924535.db2.gz UFAHATLSGUMKJD-IVZWLZJFSA-N 0 1 272.301 0.890 20 5 CCBDMN CCOC(=O)C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)=O ZINC000840673691 615218211 /nfs/dbraw/zinc/21/82/11/615218211.db2.gz YSZRAGLBIBDBHE-HLTSFMKQSA-N 0 1 273.241 0.106 20 5 CCBDMN CCOC1CC2(C[C@@H]2NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000874807580 615223517 /nfs/dbraw/zinc/22/35/17/615223517.db2.gz QTMILWXDMXJTHI-RRFNDXNDSA-N 0 1 254.286 0.725 20 5 CCBDMN CCOC(=O)[C@H](C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840437271 615339782 /nfs/dbraw/zinc/33/97/82/615339782.db2.gz UECIPWLEHKBSPQ-FXBDTBDDSA-N 0 1 270.285 0.594 20 5 CCBDMN CC[C@H](C)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000843620714 615666577 /nfs/dbraw/zinc/66/65/77/615666577.db2.gz MNOLXAKKHQQYRU-SGIHWFKDSA-N 0 1 272.301 0.746 20 5 CCBDMN CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839598520 615678704 /nfs/dbraw/zinc/67/87/04/615678704.db2.gz OGDMSNNNMXMMHK-RBXMUDONSA-N 0 1 257.290 0.071 20 5 CCBDMN CC[C@H](C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000839503284 615695822 /nfs/dbraw/zinc/69/58/22/615695822.db2.gz HYLZCHFEKHUEKA-KDXUFGMBSA-N 0 1 258.274 0.356 20 5 CCBDMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000827823345 615844921 /nfs/dbraw/zinc/84/49/21/615844921.db2.gz UTXCFZCWGPROBM-JTQLQIEISA-N 0 1 297.315 0.866 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@@H]2C)n1 ZINC000928444476 616014937 /nfs/dbraw/zinc/01/49/37/616014937.db2.gz SXKSGYNXKJSSBG-RKDXNWHRSA-N 0 1 281.316 0.634 20 5 CCBDMN CN(CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC(=O)NC1=O ZINC000801602170 616124790 /nfs/dbraw/zinc/12/47/90/616124790.db2.gz XDMVAVXNUMFHES-GFCCVEGCSA-N 0 1 291.307 0.874 20 5 CCBDMN C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(C(=O)[O-])CC1 ZINC000828345892 616127652 /nfs/dbraw/zinc/12/76/52/616127652.db2.gz LVSVETHBEXUFQY-UHFFFAOYSA-N 0 1 297.315 0.866 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)n1 ZINC000874833265 616199012 /nfs/dbraw/zinc/19/90/12/616199012.db2.gz LLLRCSGEKDBCPC-VHSXEESVSA-N 0 1 293.327 0.637 20 5 CCBDMN COC[C@H](NCc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886918108 616723911 /nfs/dbraw/zinc/72/39/11/616723911.db2.gz RPHIQVOSGJXREH-PWSUYJOCSA-N 0 1 298.343 0.860 20 5 CCBDMN COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1C ZINC000839700958 616866801 /nfs/dbraw/zinc/86/68/01/616866801.db2.gz RTSRCVOXEBZCNH-HTQZYQBOSA-N 0 1 267.241 0.415 20 5 CCBDMN COC[C@@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)OC ZINC000851244073 616871275 /nfs/dbraw/zinc/87/12/75/616871275.db2.gz RHOVUMHDAYKSBA-ZETCQYMHSA-N 0 1 258.230 0.741 20 5 CCBDMN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000839762588 616892293 /nfs/dbraw/zinc/89/22/93/616892293.db2.gz DGSIXBQIOWQDSY-QARDOFNBSA-N 0 1 266.297 0.533 20 5 CCBDMN CO[C@](C)([C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839832299 616902332 /nfs/dbraw/zinc/90/23/32/616902332.db2.gz XZDHCKWCGMWZDF-CKIYVRPFSA-N 0 1 256.302 0.971 20 5 CCBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H]1CO ZINC000934015561 625003288 /nfs/dbraw/zinc/00/32/88/625003288.db2.gz DBUZWTHOVNAUME-MNOVXSKESA-N 0 1 282.296 0.401 20 5 CCBDMN O=C(NC[C@H](O)c1ccsc1)c1n[nH]cc1[N+](=O)[O-] ZINC000162945984 631016993 /nfs/dbraw/zinc/01/69/93/631016993.db2.gz OHYSXDKEVBFEST-QMMMGPOBSA-N 0 1 282.281 0.843 20 5 CCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC000840673696 631717063 /nfs/dbraw/zinc/71/70/63/631717063.db2.gz YUQCWFREIFCNRE-HSUXUTPPSA-N 0 1 284.190 0.262 20 5 CCBDMN CC(=O)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001010653283 650250428 /nfs/dbraw/zinc/25/04/28/650250428.db2.gz RNSJPCXSJPGZDP-GHMZBOCLSA-N 0 1 281.312 0.123 20 5 CCBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1=CCCC1 ZINC001001414422 639296884 /nfs/dbraw/zinc/29/68/84/639296884.db2.gz WHRQRZTYJCLFMC-VXGBXAGGSA-N 0 1 293.323 0.337 20 5 CCBDMN C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H](C)N1 ZINC000154147815 639694184 /nfs/dbraw/zinc/69/41/84/639694184.db2.gz KJZSBTLKJRRELC-RKDXNWHRSA-N 0 1 278.312 0.999 20 5 CCBDMN O=C(OC[C@@H]1CCC2(COC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000922803030 639792192 /nfs/dbraw/zinc/79/21/92/639792192.db2.gz SQFRQYLBRZSCLI-DJLDLDEBSA-N 0 1 257.242 0.143 20 5 CCBDMN O=C(N[C@H]1COc2ccccc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839529982 640322030 /nfs/dbraw/zinc/32/20/30/640322030.db2.gz ZLDBZAINBLCTPJ-GMTAPVOTSA-N 0 1 262.265 0.772 20 5 CCBDMN Cn1c(CNC(=O)[C@@H]2CC2[N+](=O)[O-])nc2cc(F)ccc21 ZINC000839681445 640355121 /nfs/dbraw/zinc/35/51/21/640355121.db2.gz ZQDILVGQELADLA-LDYMZIIASA-N 0 1 292.270 0.994 20 5 CCBDMN C[C@@](O)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000839715415 640356536 /nfs/dbraw/zinc/35/65/36/640356536.db2.gz QFSPMWOPQUMZHO-NQBHXWOUSA-N 0 1 282.271 0.815 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2ccccc2)C(=O)C1 ZINC000839726066 640358753 /nfs/dbraw/zinc/35/87/53/640358753.db2.gz SFBGJVVVJDYDLX-VXGBXAGGSA-N 0 1 289.291 0.527 20 5 CCBDMN C[C@H]1OCC[C@]12CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000839747613 640360502 /nfs/dbraw/zinc/36/05/02/640360502.db2.gz CUDATDFVIJXCDY-BFLSOPEQSA-N 0 1 270.285 0.058 20 5 CCBDMN O=C(N[C@H]1CCCN(CC(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839774752 640363428 /nfs/dbraw/zinc/36/34/28/640363428.db2.gz RFRAKGYPHXNUEF-DJLDLDEBSA-N 0 1 295.261 0.795 20 5 CCBDMN O=C(NCCOCC1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839793569 640378315 /nfs/dbraw/zinc/37/83/15/640378315.db2.gz UOYHUZFQCWGSOW-GHMZBOCLSA-N 0 1 256.302 0.975 20 5 CCBDMN O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000839893328 640604175 /nfs/dbraw/zinc/60/41/75/640604175.db2.gz CZCWMVYWRDQHGW-ULAWRXDQSA-N 0 1 264.228 0.317 20 5 CCBDMN O=C(N[C@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000808220827 640856345 /nfs/dbraw/zinc/85/63/45/640856345.db2.gz ANYHFWFSHLIZOW-VIFPVBQESA-N 0 1 283.284 0.374 20 5 CCBDMN O=C(Nc1ccc(COCCO)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000819725577 641426937 /nfs/dbraw/zinc/42/69/37/641426937.db2.gz JYYWGBFUYDQGCL-VXGBXAGGSA-N 0 1 280.280 0.799 20 5 CCBDMN C[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000840422604 641575416 /nfs/dbraw/zinc/57/54/16/641575416.db2.gz VNZAQFBLTNWKNX-MWGHHZFTSA-N 0 1 254.286 0.725 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OCc1ccccc1 ZINC000847146397 643490356 /nfs/dbraw/zinc/49/03/56/643490356.db2.gz SXNQYFMMDXDZGR-YUSALJHKSA-N 0 1 292.291 0.900 20 5 CCBDMN O=C(NCCc1nc[nH]n1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000848152635 643610393 /nfs/dbraw/zinc/61/03/93/643610393.db2.gz KKCLDHRHJKDQPS-LLVKDONJSA-N 0 1 291.267 0.105 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CCN1CCOCC1)CC1CC1 ZINC000856072389 644389321 /nfs/dbraw/zinc/38/93/21/644389321.db2.gz NZQSQTLMEYPYPX-CHWSQXEVSA-N 0 1 297.355 0.222 20 5 CCBDMN O=C(N[C@H](CO)c1ccc(F)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000856273992 644405328 /nfs/dbraw/zinc/40/53/28/644405328.db2.gz WJUMVEWGFFRARF-FBIMIBRVSA-N 0 1 286.234 0.780 20 5 CCBDMN C[C@H](c1ccccc1)[C@@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856289119 644406578 /nfs/dbraw/zinc/40/65/78/644406578.db2.gz LAXRUBXUSBPMPU-JHEVNIALSA-N 0 1 278.308 0.932 20 5 CCBDMN O=C(NC[C@@H]1CCCN1CC(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000862695058 645021612 /nfs/dbraw/zinc/02/16/12/645021612.db2.gz KWJMIEOUOODVOU-DJLDLDEBSA-N 0 1 277.271 0.497 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H](C(F)(F)F)CC1 ZINC000874542468 646472904 /nfs/dbraw/zinc/47/29/04/646472904.db2.gz MUBMVXPAYJBPEU-PRJMDXOYSA-N 0 1 282.218 0.831 20 5 CCBDMN C[C@@H](O)CN1CCN(Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886144749 647907847 /nfs/dbraw/zinc/90/78/47/647907847.db2.gz GONORTKVVUNNTR-VXGBXAGGSA-N 0 1 294.355 0.877 20 5 CCBDMN C[C@H](O)CN1CCN(Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886144746 647908278 /nfs/dbraw/zinc/90/82/78/647908278.db2.gz GONORTKVVUNNTR-NEPJUHHUSA-N 0 1 294.355 0.877 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCCn3nncc3C2)n1 ZINC000886457854 647974161 /nfs/dbraw/zinc/97/41/61/647974161.db2.gz QUMYJYGKZJCHBX-UHFFFAOYSA-N 0 1 277.288 0.289 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000887818169 648158730 /nfs/dbraw/zinc/15/87/30/648158730.db2.gz ALCHSNGVNQZAHS-NNYUYHANSA-N 0 1 284.312 0.306 20 5 CCBDMN COc1nc(N2C[C@@H](C)N(C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001164631654 719147653 /nfs/dbraw/zinc/14/76/53/719147653.db2.gz OAXXOHOTDZLKMJ-RKDXNWHRSA-N 0 1 281.316 0.922 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(OC[C@@H]2COCCO2)n1 ZINC001231259922 805763691 /nfs/dbraw/zinc/76/36/91/805763691.db2.gz QECRBWZOYOTCAC-QMMMGPOBSA-N 0 1 270.241 0.798 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2COC(=O)C2)n1 ZINC001231260218 805764124 /nfs/dbraw/zinc/76/41/24/805764124.db2.gz SNVTZXDFJDSQDP-LURJTMIESA-N 0 1 254.198 0.698 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001120773082 798933459 /nfs/dbraw/zinc/93/34/59/798933459.db2.gz BNXXUKLHALVRHH-JTQLQIEISA-N 0 1 293.327 0.461 20 5 CCBDMN Cc1cc(NC(=O)[C@@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC001122600687 799272671 /nfs/dbraw/zinc/27/26/71/799272671.db2.gz XJOFABIJYAXNHR-NSHDSACASA-N 0 1 265.269 0.830 20 5 CCBDMN CC[C@@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC001143367971 800233644 /nfs/dbraw/zinc/23/36/44/800233644.db2.gz FOBYSSRDIPCYOS-SNVBAGLBSA-N 0 1 270.245 0.389 20 5 CCBDMN CCc1ncc(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])[nH]1 ZINC001156538071 801181741 /nfs/dbraw/zinc/18/17/41/801181741.db2.gz JHARQMFDBRTNOI-UHFFFAOYSA-N 0 1 278.272 0.842 20 5 CCBDMN COc1nc(-n2[n-]c(=O)c(CC[NH3+])c2C)ccc1[N+](=O)[O-] ZINC001159294233 801786868 /nfs/dbraw/zinc/78/68/68/801786868.db2.gz ZLZOBPUWTXDLJA-UHFFFAOYSA-N 0 1 293.283 0.699 20 5 CCBDMN Cc1nnc(CN)n1-c1ncc([N+](=O)[O-])cc1Cl ZINC001163346696 802539852 /nfs/dbraw/zinc/53/98/52/802539852.db2.gz TXTBEMLJHIBKSK-UHFFFAOYSA-N 0 1 268.664 0.991 20 5 CCBDMN Cc1nc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)n[nH]1 ZINC001164295566 802710455 /nfs/dbraw/zinc/71/04/55/802710455.db2.gz ZJONAJSIJMIFIG-UHFFFAOYSA-N 0 1 276.256 0.732 20 5 CCBDMN COCCCN1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC001165097520 802780859 /nfs/dbraw/zinc/78/08/59/802780859.db2.gz LZADNKZEYLLTNS-UHFFFAOYSA-N 0 1 295.343 0.852 20 5 CCBDMN COCC(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC001269356137 813336879 /nfs/dbraw/zinc/33/68/79/813336879.db2.gz NPLFJHSJLWERQJ-UHFFFAOYSA-N 0 1 293.323 0.980 20 5 CCBDMN CCOC(=O)c1c[n-]c(=O)nc1O[C@H](C)C[N+](C)(C)C ZINC001225898653 805174328 /nfs/dbraw/zinc/17/43/28/805174328.db2.gz CPGKXTPSGOGVSD-SECBINFHSA-O 0 1 284.336 0.832 20 5 CCBDMN CC[N@@H+]1CC[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228142216 805417886 /nfs/dbraw/zinc/41/78/86/805417886.db2.gz BCFVQUHBOQDDRB-SSDOTTSWSA-N 0 1 254.246 0.563 20 5 CCBDMN CC[N@H+]1CC[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228142216 805417890 /nfs/dbraw/zinc/41/78/90/805417890.db2.gz BCFVQUHBOQDDRB-SSDOTTSWSA-N 0 1 254.246 0.563 20 5 CCBDMN CC(=O)N1CCC(Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001229375587 805526306 /nfs/dbraw/zinc/52/63/06/805526306.db2.gz IQVBVXCFXROYPY-UHFFFAOYSA-N 0 1 296.283 0.789 20 5 CCBDMN CC(=O)Nc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001265531000 809797448 /nfs/dbraw/zinc/79/74/48/809797448.db2.gz VXCKDSMNSIRHMY-ZYHUDNBSSA-N 0 1 277.280 0.926 20 5 CCBDMN Cc1ccn(C)c(=O)c1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001265690527 809826581 /nfs/dbraw/zinc/82/65/81/809826581.db2.gz DBYXFKOHECLGBE-HTQZYQBOSA-N 0 1 251.242 0.297 20 5 CCBDMN O=C(NC1CN(Cc2ccns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030294180 815964054 /nfs/dbraw/zinc/96/40/54/815964054.db2.gz ZUDASVAEDCTINS-NXEZZACHSA-N 0 1 282.325 0.109 20 5 CCBDMN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2nccn21 ZINC001272652253 816939166 /nfs/dbraw/zinc/93/91/66/816939166.db2.gz VRADSYGRJFGTEE-FNCVBFRFSA-N 0 1 250.258 0.670 20 5 CCBDMN Cc1nocc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031661837 817227454 /nfs/dbraw/zinc/22/74/54/817227454.db2.gz KAUPAWQXZORICV-VXGBXAGGSA-N 0 1 294.311 0.196 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CN(CCF)C2)CC1 ZINC001035704222 819611508 /nfs/dbraw/zinc/61/15/08/819611508.db2.gz GIDOWZASTYIGQH-GHMZBOCLSA-N 0 1 285.319 0.546 20 5 CCBDMN CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079317570 820346176 /nfs/dbraw/zinc/34/61/76/820346176.db2.gz CERZMCFAUCLYRV-VXGBXAGGSA-N 0 1 297.355 0.901 20 5 CCBDMN NCc1nnnn1-c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001168920060 836050377 /nfs/dbraw/zinc/05/03/77/836050377.db2.gz KEEYGUNSJMEAIR-UHFFFAOYSA-N 0 1 256.172 0.307 20 5 CCBDMN COc1cc([N+](=O)[O-])cnc1-n1c(C)cnc1CN ZINC001169021323 836115455 /nfs/dbraw/zinc/11/54/55/836115455.db2.gz AMVNZJNPDQPBAJ-UHFFFAOYSA-N 0 1 263.257 0.951 20 5 CCBDMN CC(=O)Nc1ccc(NC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC001170042592 836772170 /nfs/dbraw/zinc/77/21/70/836772170.db2.gz CADLVEBRNGPVNP-NSHDSACASA-N 0 1 294.311 0.954 20 5 CCBDMN CN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC001131172742 838012632 /nfs/dbraw/zinc/01/26/32/838012632.db2.gz SBJVSSOASWOXIR-UWVGGRQHSA-N 0 1 288.267 0.874 20 5 CCBDMN CN1CC(CNc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001159220232 839028140 /nfs/dbraw/zinc/02/81/40/839028140.db2.gz VJZXGLNZWCFXGS-UHFFFAOYSA-N 0 1 272.692 0.855 20 5 CCBDMN Cc1c(CC[NH3+])c(=O)[n-]n1-c1nccc(C)c1[N+](=O)[O-] ZINC001159293755 839105936 /nfs/dbraw/zinc/10/59/36/839105936.db2.gz PJOGKUQMOCDFKO-UHFFFAOYSA-N 0 1 277.284 0.999 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)c1cccnc1[N+](=O)[O-] ZINC001186748861 844596353 /nfs/dbraw/zinc/59/63/53/844596353.db2.gz XHXOISNQHCSPTR-UHFFFAOYSA-N 0 1 251.202 0.715 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C)CC2(C)C)n1 ZINC001178709379 842909449 /nfs/dbraw/zinc/90/94/49/842909449.db2.gz NFOBARFFHJSVGV-VIFPVBQESA-N 0 1 281.316 0.398 20 5 CCBDMN O=C(NCc1c[nH]nn1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001137238655 848269598 /nfs/dbraw/zinc/26/95/98/848269598.db2.gz RBIGWRJGNHKHAH-JTQLQIEISA-N 0 1 277.240 0.063 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2CO)c1[N+](=O)[O-] ZINC001324889041 913085159 /nfs/dbraw/zinc/08/51/59/913085159.db2.gz AYKJAURUWPXRCM-QMMMGPOBSA-N 0 1 268.273 0.613 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](n3cncn3)C2)c1[N+](=O)[O-] ZINC001325852059 913606692 /nfs/dbraw/zinc/60/66/92/913606692.db2.gz QSNQBTVWGHYHGS-QMMMGPOBSA-N 0 1 291.271 0.305 20 5 CCBDMN O=c1ccn(Cc2nc([C@H]3CCCN3)no2)cc1[N+](=O)[O-] ZINC001326171207 913793701 /nfs/dbraw/zinc/79/37/01/913793701.db2.gz BJNBYNVRYXSLKL-MRVPVSSYSA-N 0 1 291.267 0.612 20 5 CCBDMN CC(C)[C@@H](N)c1noc(Cn2cnc([N+](=O)[O-])n2)n1 ZINC001326512097 913998029 /nfs/dbraw/zinc/99/80/29/913998029.db2.gz AARGMLRRVAMIOE-SSDOTTSWSA-N 0 1 267.249 0.273 20 5 CCBDMN CC(C)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001489799765 900517335 /nfs/dbraw/zinc/51/73/35/900517335.db2.gz XUXWDMKBBCTXJZ-LMLFDSFASA-N 0 1 283.328 0.319 20 5 CCBDMN CCCC1(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001284583342 905386689 /nfs/dbraw/zinc/38/66/89/905386689.db2.gz MVEHMPRNDXUJCA-GHMZBOCLSA-N 0 1 297.355 0.807 20 5 CCBDMN CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306889774 908275416 /nfs/dbraw/zinc/27/54/16/908275416.db2.gz JZVMRJAKURVDCB-QMMMGPOBSA-N 0 1 280.284 0.519 20 5 CCBDMN CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306889774 908275427 /nfs/dbraw/zinc/27/54/27/908275427.db2.gz JZVMRJAKURVDCB-QMMMGPOBSA-N 0 1 280.284 0.519 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCNC[C@@H]1CO ZINC001340955325 908564756 /nfs/dbraw/zinc/56/47/56/908564756.db2.gz ZIKJJIXYJTUGJB-SECBINFHSA-N 0 1 299.714 0.655 20 5 CCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cc(C)on1 ZINC001317480582 909251829 /nfs/dbraw/zinc/25/18/29/909251829.db2.gz UWCXTWBDMZRJAU-VXGBXAGGSA-N 0 1 296.327 0.586 20 5 CCBDMN O=C(NCCc1ccon1)c1n[nH]cc1[N+](=O)[O-] ZINC001320511165 910713089 /nfs/dbraw/zinc/71/30/89/910713089.db2.gz MYYSMWLCFMTOED-UHFFFAOYSA-N 0 1 251.202 0.278 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CC2(O)CCOCC2)c1[N+](=O)[O-] ZINC001320833033 910896888 /nfs/dbraw/zinc/89/68/88/910896888.db2.gz LCDZFWOIROVQNX-UHFFFAOYSA-N 0 1 298.299 0.240 20 5 CCBDMN CC(C)c1n[nH]c(NC(=O)Cn2ccc([N+](=O)[O-])n2)n1 ZINC001321440903 911302276 /nfs/dbraw/zinc/30/22/76/911302276.db2.gz XFWHARFJEQSANI-UHFFFAOYSA-N 0 1 279.260 0.672 20 5 CCBDMN CC(C)c1nc(NC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC001321440903 911302296 /nfs/dbraw/zinc/30/22/96/911302296.db2.gz XFWHARFJEQSANI-UHFFFAOYSA-N 0 1 279.260 0.672 20 5 CCBDMN CCOC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001328616925 915310578 /nfs/dbraw/zinc/31/05/78/915310578.db2.gz RKMHWWYWUXERRQ-IVZWLZJFSA-N 0 1 270.285 0.596 20 5 CCBDMN Cn1cc(CN2CCC3(CCNC3=O)CC2)c([N+](=O)[O-])n1 ZINC001330684924 916793390 /nfs/dbraw/zinc/79/33/90/916793390.db2.gz YARMURXANACZAO-UHFFFAOYSA-N 0 1 293.327 0.430 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H](c2nc[nH]n2)C1 ZINC001332039383 917819923 /nfs/dbraw/zinc/81/99/23/917819923.db2.gz ZADWRBFNFCNHNZ-ZETCQYMHSA-N 0 1 277.240 0.936 20 5 CCBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCNC[C@H]1CO ZINC001342437278 922960654 /nfs/dbraw/zinc/96/06/54/922960654.db2.gz DDUPXPKDDXYRFH-ZDUSSCGKSA-N 0 1 293.323 0.320 20 5 CCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCNC(=O)C1 ZINC001345987022 924032453 /nfs/dbraw/zinc/03/24/53/924032453.db2.gz GCMVOXRZRWIOGY-BZNPZCIMSA-N 0 1 256.258 0.110 20 5 CCBDMN NC(=O)c1cc(NCCN2CC=CC2)ccc1[N+](=O)[O-] ZINC001347219435 924401526 /nfs/dbraw/zinc/40/15/26/924401526.db2.gz GBOILERZHWVGFY-UHFFFAOYSA-N 0 1 276.296 0.977 20 5 CCBDMN Cc1ccc(C(=O)N2CCNC[C@@H]2CO)cc1[N+](=O)[O-] ZINC001354592624 926136523 /nfs/dbraw/zinc/13/65/23/926136523.db2.gz ATABAJFJGMXNIP-LLVKDONJSA-N 0 1 279.296 0.310 20 5 CCBDMN O=C(CC1CCC1)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001356805493 926446128 /nfs/dbraw/zinc/44/61/28/926446128.db2.gz GAIPOOBMECNGBI-VXGBXAGGSA-N 0 1 295.339 0.416 20 5 CCBDMN CC1(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001357814001 926602001 /nfs/dbraw/zinc/60/20/01/926602001.db2.gz IUMJSBJCIOSLDY-WUNPDAOYSA-N 0 1 295.339 0.630 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1CC(=O)[O-] ZINC001599865799 989253753 /nfs/dbraw/zinc/25/37/53/989253753.db2.gz ORIOXXHKWXQNNY-NXEZZACHSA-N 0 1 282.300 0.834 20 5 CCBDMN C[C@@]([NH2+]CC[N+](=O)[O-])(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593275232 994627602 /nfs/dbraw/zinc/62/76/02/994627602.db2.gz QHMSQVMYZPQJDR-NSHDSACASA-N 0 1 283.240 0.761 20 5 CCBDMN C[C@@H](O)C[N@@H+](CCO)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593460619 995376643 /nfs/dbraw/zinc/37/66/43/995376643.db2.gz YNTWBRVPXIGDHA-SECBINFHSA-N 0 1 298.295 0.468 20 5 CCBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC(=O)N1C ZINC000337553899 214154418 /nfs/dbraw/zinc/15/44/18/214154418.db2.gz USQMGPBDNHZWEV-SECBINFHSA-N 0 1 279.296 0.963 20 5 CCBDMN CC(C)(NC(=O)CNC(=O)CN)c1ccc([N+](=O)[O-])cc1 ZINC000125096969 187169678 /nfs/dbraw/zinc/16/96/78/187169678.db2.gz POEGERCENAUYKK-UHFFFAOYSA-N 0 1 294.311 0.021 20 5 CCBDMN C[C@H]1CNCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000126103489 187217246 /nfs/dbraw/zinc/21/72/46/187217246.db2.gz FYLDSBOAGMRGKS-QMMMGPOBSA-N 0 1 264.285 0.611 20 5 CCBDMN Cc1cc(C(=O)NCCN2CC[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000600531265 362005085 /nfs/dbraw/zinc/00/50/85/362005085.db2.gz GQYWISGDKIJPEA-CYBMUJFWSA-N 0 1 293.323 0.700 20 5 CCBDMN CCc1nc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)n[nH]1 ZINC000452575910 529739511 /nfs/dbraw/zinc/73/95/11/529739511.db2.gz SGDUOCXEPXAPHD-UHFFFAOYSA-N 0 1 264.245 0.533 20 5 CCBDMN O=C(N[C@@]1(CO)CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000358379842 232091844 /nfs/dbraw/zinc/09/18/44/232091844.db2.gz FSZCATDSSMHWPY-GFCCVEGCSA-N 0 1 282.252 0.182 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C2CC2)CC1 ZINC000602768316 362790377 /nfs/dbraw/zinc/79/03/77/362790377.db2.gz HBJAUBZGRXNWAV-UHFFFAOYSA-N 0 1 279.344 0.880 20 5 CCBDMN CC[C@]1(NCc2cn(C)nc2[N+](=O)[O-])CCOC1 ZINC000602833429 362824919 /nfs/dbraw/zinc/82/49/19/362824919.db2.gz ZGNOUXLPMAOOHS-NSHDSACASA-N 0 1 254.290 0.987 20 5 CCBDMN CC(=O)N[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602849033 362835916 /nfs/dbraw/zinc/83/59/16/362835916.db2.gz ZVHROALPOOWYFQ-LLVKDONJSA-N 0 1 281.316 0.310 20 5 CCBDMN CCn1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1=O ZINC000343229141 137121668 /nfs/dbraw/zinc/12/16/68/137121668.db2.gz WPMNEQJDGTZNQU-UHFFFAOYSA-N 0 1 277.240 0.752 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCc2nc[nH]c2C1 ZINC000344350056 137189917 /nfs/dbraw/zinc/18/99/17/137189917.db2.gz JSHLBIBCTBPOEI-QMMMGPOBSA-N 0 1 290.283 0.188 20 5 CCBDMN O=C(NCCOc1ncccc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000344575976 137202247 /nfs/dbraw/zinc/20/22/47/137202247.db2.gz DPPJSTIWEGKQHC-UHFFFAOYSA-N 0 1 295.230 0.661 20 5 CCBDMN Cc1ncc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c(=O)[nH]1 ZINC000345107814 137233619 /nfs/dbraw/zinc/23/36/19/137233619.db2.gz XZFQPMINHUFWIX-UHFFFAOYSA-N 0 1 278.228 0.052 20 5 CCBDMN CN1CCN(CCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000040454759 348234765 /nfs/dbraw/zinc/23/47/65/348234765.db2.gz QGYLMNUEFSDMRY-UHFFFAOYSA-N 0 1 266.305 0.044 20 5 CCBDMN COc1cc(CN2[C@@H](CO)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000347310086 137330494 /nfs/dbraw/zinc/33/04/94/137330494.db2.gz OUEXAQCHKZSKBU-TXEJJXNPSA-N 0 1 296.323 0.921 20 5 CCBDMN CNc1ccc(C(=O)NCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000070286543 348883186 /nfs/dbraw/zinc/88/31/86/348883186.db2.gz UXWGDVSOAIAXBF-UHFFFAOYSA-N 0 1 276.256 0.685 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CCN(C[C@H]2CCOC2)CC1 ZINC000079962443 349196779 /nfs/dbraw/zinc/19/67/79/349196779.db2.gz HTOGHMQIFHCRRT-LLVKDONJSA-N 0 1 295.343 0.487 20 5 CCBDMN Cc1nc(N2CCC[N@@H+](CC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000123416126 350074891 /nfs/dbraw/zinc/07/48/91/350074891.db2.gz UDFWOTZQVYNXMJ-UHFFFAOYSA-N 0 1 294.311 0.895 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C2CCOCC2)c1[N+](=O)[O-] ZINC000531301883 358455664 /nfs/dbraw/zinc/45/56/64/358455664.db2.gz GTXKSBCBOQPWMP-UHFFFAOYSA-N 0 1 268.273 0.877 20 5 CCBDMN CC[C@@H](C)NC(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000137211080 350434697 /nfs/dbraw/zinc/43/46/97/350434697.db2.gz IQGUWOIMXTWLRR-SSDOTTSWSA-N 0 1 283.288 0.353 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CCn2cccn2)c1[N+](=O)[O-] ZINC000171878131 350940151 /nfs/dbraw/zinc/94/01/51/350940151.db2.gz XSESPDLCADQPII-UHFFFAOYSA-N 0 1 292.299 0.849 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@H](OCCO)C2)n1 ZINC000176246226 351164567 /nfs/dbraw/zinc/16/45/67/351164567.db2.gz VFHBFFSWQFOGAP-NSHDSACASA-N 0 1 284.316 0.265 20 5 CCBDMN CC(C)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000123738491 187106542 /nfs/dbraw/zinc/10/65/42/187106542.db2.gz QTULVUVVRZBZDN-UHFFFAOYSA-N 0 1 294.311 0.862 20 5 CCBDMN Cc1c(CNC(=O)c2cnn[nH]2)cccc1[N+](=O)[O-] ZINC000231876550 352137126 /nfs/dbraw/zinc/13/71/26/352137126.db2.gz HQIXVEOJGWDBFM-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN Cn1ncc2c1CCC[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000271070279 353019559 /nfs/dbraw/zinc/01/95/59/353019559.db2.gz XJHHGTSHKUBWLH-QMMMGPOBSA-N 0 1 290.283 0.859 20 5 CCBDMN O=C(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)NC1CC1 ZINC000272436606 353064294 /nfs/dbraw/zinc/06/42/94/353064294.db2.gz BKRWFPQNZGUKFL-UHFFFAOYSA-N 0 1 279.252 0.309 20 5 CCBDMN COC[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000272533891 353072371 /nfs/dbraw/zinc/07/23/71/353072371.db2.gz NBBCXKRUEQJRMS-GFCCVEGCSA-N 0 1 296.279 0.788 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](CO)C1 ZINC000272638695 353081400 /nfs/dbraw/zinc/08/14/00/353081400.db2.gz CYNGBGWKCNGRKD-QMMMGPOBSA-N 0 1 266.253 0.755 20 5 CCBDMN O=C(NC[C@]1(O)CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272718895 353088434 /nfs/dbraw/zinc/08/84/34/353088434.db2.gz ZMAIVZKEQGRTIH-GFCCVEGCSA-N 0 1 282.252 0.182 20 5 CCBDMN C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)CN1CCO ZINC000419008327 234284416 /nfs/dbraw/zinc/28/44/16/234284416.db2.gz UAWLNACMYPHFPG-ZJUUUORDSA-N 0 1 283.332 0.220 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000275156811 353189816 /nfs/dbraw/zinc/18/98/16/353189816.db2.gz TYYXULWUKDPLRO-SSDOTTSWSA-N 0 1 268.273 0.477 20 5 CCBDMN CC(C)[C@H](CCO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000156817613 188283122 /nfs/dbraw/zinc/28/31/22/188283122.db2.gz BRSHGGDCFPJBBB-ZETCQYMHSA-N 0 1 256.262 0.455 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC)[C@@H]2CCNC2=O)c1[N+](=O)[O-] ZINC000282105576 353393803 /nfs/dbraw/zinc/39/38/03/353393803.db2.gz GIDZMMDEGTYESF-MRVPVSSYSA-N 0 1 295.299 0.231 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000293977447 353856676 /nfs/dbraw/zinc/85/66/76/353856676.db2.gz MQSSHHVYUQNUSS-ZETCQYMHSA-N 0 1 270.289 0.723 20 5 CCBDMN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCN(C)CC1 ZINC000330469808 354371659 /nfs/dbraw/zinc/37/16/59/354371659.db2.gz ZPSHMZZIQSDOMJ-JTQLQIEISA-N 0 1 295.343 0.289 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCc3cn[nH]c32)n1 ZINC000331546173 354603328 /nfs/dbraw/zinc/60/33/28/354603328.db2.gz NNJIXVGBUXTHDU-QMMMGPOBSA-N 0 1 290.283 0.859 20 5 CCBDMN C[C@H](CO[C@@H]1CCOC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000332361593 354654133 /nfs/dbraw/zinc/65/41/33/354654133.db2.gz XXCLOWZNPMOCAY-HTQZYQBOSA-N 0 1 284.272 0.242 20 5 CCBDMN C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C(=O)[O-] ZINC000424265779 235190212 /nfs/dbraw/zinc/19/02/12/235190212.db2.gz IJRLGBRJBRRQSF-GXSJLCMTSA-N 0 1 282.300 0.976 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1n[nH]c(=O)o1 ZINC000425284411 235280440 /nfs/dbraw/zinc/28/04/40/235280440.db2.gz QTGJDTISARTDHV-UHFFFAOYSA-N 0 1 282.260 0.845 20 5 CCBDMN CN1CC[C@H]2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])[C@H]2C1 ZINC000558754373 291072077 /nfs/dbraw/zinc/07/20/77/291072077.db2.gz KLGVGLBJPGBNPV-WPRPVWTQSA-N 0 1 279.300 0.484 20 5 CCBDMN Cc1ccc(C(=O)NC2(c3nn[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000348282720 355904274 /nfs/dbraw/zinc/90/42/74/355904274.db2.gz XDXNZASBJAUVQA-UHFFFAOYSA-N 0 1 288.267 0.835 20 5 CCBDMN CCN1CCN(Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000352660019 356044204 /nfs/dbraw/zinc/04/42/04/356044204.db2.gz PSJFCEQBTOJDLS-SNVBAGLBSA-N 0 1 267.333 0.854 20 5 CCBDMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000361005408 138018636 /nfs/dbraw/zinc/01/86/36/138018636.db2.gz UWWSXMMHYONVBH-MJDLHHQISA-N 0 1 296.323 0.984 20 5 CCBDMN C[C@@H](CC[NH+](C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361892390 138037725 /nfs/dbraw/zinc/03/77/25/138037725.db2.gz KYESPQBMGRVLCP-QMMMGPOBSA-N 0 1 282.300 0.765 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000360024942 356937183 /nfs/dbraw/zinc/93/71/83/356937183.db2.gz OYUFWJLMEALKQN-UHFFFAOYSA-N 0 1 276.256 0.765 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370984700 357363855 /nfs/dbraw/zinc/36/38/55/357363855.db2.gz ITWGHMGLEORXMD-IJLUTSLNSA-N 0 1 295.339 0.655 20 5 CCBDMN COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000456131464 236364930 /nfs/dbraw/zinc/36/49/30/236364930.db2.gz GVCZIFLCJJKLFE-SFYZADRCSA-N 0 1 296.283 0.780 20 5 CCBDMN C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000562471752 291154389 /nfs/dbraw/zinc/15/43/89/291154389.db2.gz MRZZXOKHHWCOFR-SECBINFHSA-N 0 1 294.311 0.910 20 5 CCBDMN O=C(NCCO[C@@H]1CCCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000590385038 359449807 /nfs/dbraw/zinc/44/98/07/359449807.db2.gz JJIGLGLFZDVROA-SECBINFHSA-N 0 1 284.272 0.591 20 5 CCBDMN Cc1nn(C)c(C(=O)N2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000590551971 359484223 /nfs/dbraw/zinc/48/42/23/359484223.db2.gz AZLLTGPHYVRHKY-UHFFFAOYSA-N 0 1 290.283 0.558 20 5 CCBDMN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[NH2+]1 ZINC000592332275 359819778 /nfs/dbraw/zinc/81/97/78/359819778.db2.gz JSRKQBOPWPJXAG-YUMQZZPRSA-N 0 1 280.284 0.566 20 5 CCBDMN CC[C@H](C)C[C@@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592873186 359967180 /nfs/dbraw/zinc/96/71/80/359967180.db2.gz MZDIAMUYJUTNSU-YUMQZZPRSA-N 0 1 270.289 0.845 20 5 CCBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593746531 360146485 /nfs/dbraw/zinc/14/64/85/360146485.db2.gz RZUHKOCEWJDOMB-JQWIXIFHSA-N 0 1 298.299 0.091 20 5 CCBDMN CNc1nccc(C(=O)N[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000594284099 360267590 /nfs/dbraw/zinc/26/75/90/360267590.db2.gz RNDXBYJDJCVQAP-SECBINFHSA-N 0 1 293.327 0.277 20 5 CCBDMN COC[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594744514 360373815 /nfs/dbraw/zinc/37/38/15/360373815.db2.gz HEDMQCRBVQXRKD-ZETCQYMHSA-N 0 1 275.286 0.303 20 5 CCBDMN C[C@H]1C[C@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594749685 360376155 /nfs/dbraw/zinc/37/61/55/360376155.db2.gz WRPCWDIJQDNPFZ-YUMQZZPRSA-N 0 1 271.298 0.924 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000594758491 360376875 /nfs/dbraw/zinc/37/68/75/360376875.db2.gz CBBUPZVVGWNIFO-DTWKUNHWSA-N 0 1 299.308 0.205 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1COCCO1 ZINC000595736356 360634610 /nfs/dbraw/zinc/63/46/10/360634610.db2.gz FEZUGTRWYYJULY-LLVKDONJSA-N 0 1 270.289 0.139 20 5 CCBDMN CC1(C)CN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000179155448 189173559 /nfs/dbraw/zinc/17/35/59/189173559.db2.gz WHAGMIOECJWHIY-UHFFFAOYSA-N 0 1 297.315 0.159 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(O)(CO)CC1 ZINC000598179407 361348763 /nfs/dbraw/zinc/34/87/63/361348763.db2.gz YBORMYAVLRCNMO-UHFFFAOYSA-N 0 1 296.279 0.260 20 5 CCBDMN CC[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598531817 361440628 /nfs/dbraw/zinc/44/06/28/361440628.db2.gz QDDFOJMGHQRXFZ-WCBMZHEXSA-N 0 1 294.311 0.908 20 5 CCBDMN CC[N@@H+](CCO)CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000183975486 189373255 /nfs/dbraw/zinc/37/32/55/189373255.db2.gz FOMCYGSTEOXTLY-UHFFFAOYSA-N 0 1 297.311 0.344 20 5 CCBDMN O=[N+]([O-])c1c(NCCN2CC[C@@H](O)C2)nc2sccn21 ZINC000599176290 361599658 /nfs/dbraw/zinc/59/96/58/361599658.db2.gz PUHRKWDPCDZLJO-MRVPVSSYSA-N 0 1 297.340 0.783 20 5 CCBDMN CO[C@H](C)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599226580 361615119 /nfs/dbraw/zinc/61/51/19/361615119.db2.gz DGEVJHSHHYTXQV-SSDOTTSWSA-N 0 1 292.317 0.032 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCSC2)n1 ZINC000599249357 361619809 /nfs/dbraw/zinc/61/98/09/361619809.db2.gz HOLZBUGQOAGXOK-LURJTMIESA-N 0 1 292.342 0.112 20 5 CCBDMN Cc1ccnc(N2CCn3c(n[nH]c3=O)C2)c1[N+](=O)[O-] ZINC000613073385 364102572 /nfs/dbraw/zinc/10/25/72/364102572.db2.gz BNHKIRFYFUUVIM-UHFFFAOYSA-N 0 1 276.256 0.616 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)Cc2ccon2)c1[N+](=O)[O-] ZINC000265779091 190205784 /nfs/dbraw/zinc/20/57/84/190205784.db2.gz FNRUPXICWHMAQM-UHFFFAOYSA-N 0 1 265.229 0.887 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000267222414 190313209 /nfs/dbraw/zinc/31/32/09/190313209.db2.gz JCRWFFAFGJENJU-LLVKDONJSA-N 0 1 268.273 0.477 20 5 CCBDMN COC(=O)[C@H](CF)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000288407802 197069642 /nfs/dbraw/zinc/06/96/42/197069642.db2.gz SXHNKWZMUQPAMM-VIFPVBQESA-N 0 1 286.215 0.541 20 5 CCBDMN CN(CCC(=O)NC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000026348982 388821604 /nfs/dbraw/zinc/82/16/04/388821604.db2.gz OGWRNRXNOLMZPV-UHFFFAOYSA-N 0 1 280.284 0.612 20 5 CCBDMN Cc1n[nH]c(C(=O)N[C@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000345310816 389302237 /nfs/dbraw/zinc/30/22/37/389302237.db2.gz CRIIXHZSQCCOPY-IUCAKERBSA-N 0 1 281.316 0.839 20 5 CCBDMN CS[C@H](CO)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159645392 389370303 /nfs/dbraw/zinc/37/03/03/389370303.db2.gz AAVSOUPZCZJGNW-CAHLUQPWSA-N 0 1 274.302 0.160 20 5 CCBDMN CC[C@H]1C(=O)NCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269271820 389412200 /nfs/dbraw/zinc/41/22/00/389412200.db2.gz GQPRHBIASPWEJD-NSHDSACASA-N 0 1 293.279 0.651 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](O)C1 ZINC000269309169 389413280 /nfs/dbraw/zinc/41/32/80/389413280.db2.gz XYSOYXMKQPVAOX-SECBINFHSA-N 0 1 252.226 0.507 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000269373312 389415236 /nfs/dbraw/zinc/41/52/36/389415236.db2.gz ZGRSTYNILPHLSY-UHFFFAOYSA-N 0 1 281.272 0.013 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000158917406 389353875 /nfs/dbraw/zinc/35/38/75/389353875.db2.gz XLNJJOVHOOMWRN-AOOOYVTPSA-N 0 1 279.300 0.144 20 5 CCBDMN O=C(N[C@H]1CC(=O)N2CCCC[C@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000374918084 389620983 /nfs/dbraw/zinc/62/09/83/389620983.db2.gz VROBMCRUHIYELF-JGVFFNPUSA-N 0 1 293.283 0.201 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C2(C(N)=O)CCCC2)c1[N+](=O)[O-] ZINC000351486131 389590413 /nfs/dbraw/zinc/59/04/13/389590413.db2.gz VQRTXXJJHHYWNT-UHFFFAOYSA-N 0 1 295.299 0.496 20 5 CCBDMN C[C@@H](N=c1[nH]c2ccccc2cc1[N+](=O)[O-])C(N)=O ZINC000352356600 389796583 /nfs/dbraw/zinc/79/65/83/389796583.db2.gz MOZAQFQSKJEMLH-SSDOTTSWSA-N 0 1 260.253 0.851 20 5 CCBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCCCC1=O ZINC000352088041 389749875 /nfs/dbraw/zinc/74/98/75/389749875.db2.gz WLQBIMVWHFSJPO-QMMMGPOBSA-N 0 1 295.299 0.449 20 5 CCBDMN O=C(NC1(c2nnc[nH]2)CCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000435828972 389963731 /nfs/dbraw/zinc/96/37/31/389963731.db2.gz XGEMFHUEJTUNRL-UHFFFAOYSA-N 0 1 276.256 0.850 20 5 CCBDMN CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC000487045329 390083602 /nfs/dbraw/zinc/08/36/02/390083602.db2.gz KPDVIGGWPCFOBA-SNVBAGLBSA-N 0 1 280.332 0.574 20 5 CCBDMN CC(C)COC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000495932935 390269773 /nfs/dbraw/zinc/26/97/73/390269773.db2.gz UHDJYJJCVNFRQO-GHMZBOCLSA-N 0 1 299.327 0.588 20 5 CCBDMN O=C([O-])[C@H]1CSCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000577887984 390852400 /nfs/dbraw/zinc/85/24/00/390852400.db2.gz DLVGMEOPHIEKJR-SECBINFHSA-N 0 1 286.313 0.293 20 5 CCBDMN C[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)CN1C ZINC000357446345 297084733 /nfs/dbraw/zinc/08/47/33/297084733.db2.gz BZWVJQBKDUUUGK-BDAKNGLRSA-N 0 1 293.327 0.618 20 5 CCBDMN CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000459762900 285796442 /nfs/dbraw/zinc/79/64/42/285796442.db2.gz WDOQXPJXQOMMJL-CMPLNLGQSA-N 0 1 268.269 0.804 20 5 CCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000357015510 144051015 /nfs/dbraw/zinc/05/10/15/144051015.db2.gz XGIHUEROSLSYFN-UHFFFAOYSA-N 0 1 291.271 0.256 20 5 CCBDMN C[C@H]1CCN(C)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357898513 144131251 /nfs/dbraw/zinc/13/12/51/144131251.db2.gz OMSYRWMVLVDJAZ-VIFPVBQESA-N 0 1 281.316 0.495 20 5 CCBDMN COc1ccc([N+](=O)[O-])c(C(=O)NCc2nnc[nH]2)c1 ZINC000358561410 144162623 /nfs/dbraw/zinc/16/26/23/144162623.db2.gz MVYJRIVHYHIKPX-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN CCC[C@H]1CNCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000359239480 144205118 /nfs/dbraw/zinc/20/51/18/144205118.db2.gz XWRTXPWTWQSRHD-JTQLQIEISA-N 0 1 295.343 0.851 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2ccc(F)cn2)CC1 ZINC000368590334 144234880 /nfs/dbraw/zinc/23/48/80/144234880.db2.gz KMUNKMWOXZXXSV-GHMZBOCLSA-N 0 1 294.286 0.535 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000368929338 144249914 /nfs/dbraw/zinc/24/99/14/144249914.db2.gz BKFJQPDWHGVOPG-OPRDCNLKSA-N 0 1 264.285 0.781 20 5 CCBDMN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccn(C)n1 ZINC000582117283 397583064 /nfs/dbraw/zinc/58/30/64/397583064.db2.gz KNYRRKNQVATTGU-MWLCHTKSSA-N 0 1 294.315 0.237 20 5 CCBDMN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccn(C)n1 ZINC000582117284 397583079 /nfs/dbraw/zinc/58/30/79/397583079.db2.gz KNYRRKNQVATTGU-ONGXEEELSA-N 0 1 294.315 0.237 20 5 CCBDMN COCCN1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548938562 286080835 /nfs/dbraw/zinc/08/08/35/286080835.db2.gz ZVHVODIKHCCPQF-UHFFFAOYSA-N 0 1 297.315 0.112 20 5 CCBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CNCCO1 ZINC000043710316 175103723 /nfs/dbraw/zinc/10/37/23/175103723.db2.gz INASZVUKVKKENN-LBPRGKRZSA-N 0 1 279.296 0.542 20 5 CCBDMN C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000178908353 265687826 /nfs/dbraw/zinc/68/78/26/265687826.db2.gz JCKSHCJSSQOEML-UHFFFAOYSA-N 0 1 254.242 0.990 20 5 CCBDMN CN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 ZINC000284776927 277152665 /nfs/dbraw/zinc/15/26/65/277152665.db2.gz ANJJWSIWESGNKT-ZJUUUORDSA-N 0 1 295.295 0.733 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000054369659 278837588 /nfs/dbraw/zinc/83/75/88/278837588.db2.gz OIJHZRKYNDMMFW-MRVPVSSYSA-N 0 1 252.274 0.367 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCN(C)CC2(C)C)c1[N+](=O)[O-] ZINC000270924589 280188275 /nfs/dbraw/zinc/18/82/75/280188275.db2.gz FXIVGTNGZQABKU-UHFFFAOYSA-N 0 1 281.316 0.793 20 5 CCBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[NH+](CCO)CC2)c1 ZINC000211451425 326863276 /nfs/dbraw/zinc/86/32/76/326863276.db2.gz WQFMSXITRZRGGW-UHFFFAOYSA-N 0 1 295.295 0.407 20 5 CCBDMN CCOc1cc(CNC(CO)CO)ccc1[N+](=O)[O-] ZINC000578518792 335644036 /nfs/dbraw/zinc/64/40/36/335644036.db2.gz FJLXWKFTMFCTAE-UHFFFAOYSA-N 0 1 270.285 0.436 20 5 CCBDMN Cc1nc(N2C[C@H](C)N(CCO)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000419010603 534450186 /nfs/dbraw/zinc/45/01/86/534450186.db2.gz ZBAVEXYYLXGHPU-UWVGGRQHSA-N 0 1 295.343 0.585 20 5 CCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCCc1nc[nH]n1 ZINC000358395614 534704992 /nfs/dbraw/zinc/70/49/92/534704992.db2.gz OQLCUAYAIWRKMI-UHFFFAOYSA-N 0 1 293.258 0.753 20 5 CCBDMN CN(C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000340002618 524043403 /nfs/dbraw/zinc/04/34/03/524043403.db2.gz IHGJDITUKRAJNI-UHFFFAOYSA-N 0 1 266.301 0.685 20 5 CCBDMN CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]2C ZINC000368941817 535016608 /nfs/dbraw/zinc/01/66/08/535016608.db2.gz QZAQRNGRGDMSJT-OPRDCNLKSA-N 0 1 293.327 0.970 20 5 CCBDMN CC[C@@H](C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC000343173946 535664284 /nfs/dbraw/zinc/66/42/84/535664284.db2.gz FFVHSHRCEBPMSN-HTRCEHHLSA-N 0 1 284.272 0.635 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](CO)OC[C@H]2C)c1[N+](=O)[O-] ZINC000362360103 536002309 /nfs/dbraw/zinc/00/23/09/536002309.db2.gz RRCMFEZKIDXKMF-HTQZYQBOSA-N 0 1 298.299 0.102 20 5 CCBDMN CCc1n[nH]c(C(=O)N[C@H](C)c2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000343365730 536006229 /nfs/dbraw/zinc/00/62/29/536006229.db2.gz MVWURACIEMWGKL-RXMQYKEDSA-N 0 1 293.287 0.798 20 5 CCBDMN COC(=O)C(C)(C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000341859042 536426714 /nfs/dbraw/zinc/42/67/14/536426714.db2.gz KLOCIUTZOJXRBV-UHFFFAOYSA-N 0 1 284.272 0.650 20 5 CCBDMN CC[C@@H](C(=O)OCCn1cnc([N+](=O)[O-])n1)N(CC)CC ZINC000765962682 581541560 /nfs/dbraw/zinc/54/15/60/581541560.db2.gz DTUZTLQLCNGNED-JTQLQIEISA-N 0 1 299.331 0.850 20 5 CCBDMN C[S@](=O)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000735050734 581612582 /nfs/dbraw/zinc/61/25/82/581612582.db2.gz BIBLYWLKMBTIHR-FQEVSTJZSA-N 0 1 296.308 0.579 20 5 CCBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000740056776 581648863 /nfs/dbraw/zinc/64/88/63/581648863.db2.gz LUIXBCVGMRMFOF-PWSUYJOCSA-N 0 1 296.279 0.493 20 5 CCBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000740056776 581648865 /nfs/dbraw/zinc/64/88/65/581648865.db2.gz LUIXBCVGMRMFOF-PWSUYJOCSA-N 0 1 296.279 0.493 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(=O)N(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000768241442 582105157 /nfs/dbraw/zinc/10/51/57/582105157.db2.gz OPPQDGNWUMPQRV-ZETCQYMHSA-N 0 1 295.299 0.183 20 5 CCBDMN Cc1cnc(-n2cnc(-c3nn[nH]n3)n2)c([N+](=O)[O-])c1 ZINC000822389310 599105136 /nfs/dbraw/zinc/10/51/36/599105136.db2.gz RWPRZXYVXMZACW-UHFFFAOYSA-N 0 1 273.216 0.059 20 5 CCBDMN C[C@H](C(=O)[O-])[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000833408837 605493536 /nfs/dbraw/zinc/49/35/36/605493536.db2.gz XEXOCCDGTYFTEA-SSDOTTSWSA-N 0 1 251.242 0.821 20 5 CCBDMN C[C@H](C(=O)[O-])[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000833408837 605493537 /nfs/dbraw/zinc/49/35/37/605493537.db2.gz XEXOCCDGTYFTEA-SSDOTTSWSA-N 0 1 251.242 0.821 20 5 CCBDMN CC(=O)N1CC(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000837659375 613763991 /nfs/dbraw/zinc/76/39/91/613763991.db2.gz VVQLQLLMRNLENC-UHFFFAOYSA-N 0 1 294.263 0.822 20 5 CCBDMN CC(C)CN1CCO[C@@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842310417 614098521 /nfs/dbraw/zinc/09/85/21/614098521.db2.gz JKSSEXMEXPYDPU-IJLUTSLNSA-N 0 1 286.328 0.552 20 5 CCBDMN CC(C)(C(N)=O)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837673889 614312457 /nfs/dbraw/zinc/31/24/57/614312457.db2.gz QLVDTDIOHPJBBA-UHFFFAOYSA-N 0 1 282.252 0.855 20 5 CCBDMN CCCc1ncc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000839786128 614496639 /nfs/dbraw/zinc/49/66/39/614496639.db2.gz CRSDJMXMLRQSJH-RKDXNWHRSA-N 0 1 253.258 0.909 20 5 CCBDMN CC1(C)CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])(C(N)=O)CC1 ZINC000840405535 614525043 /nfs/dbraw/zinc/52/50/43/614525043.db2.gz QPVUOIHUVHCTIU-RKDXNWHRSA-N 0 1 283.328 0.592 20 5 CCBDMN CC[N@H+](CCC(=O)[O-])CCn1cc([N+](=O)[O-])cn1 ZINC000829701963 615034958 /nfs/dbraw/zinc/03/49/58/615034958.db2.gz WGJSLRLNJAECHR-UHFFFAOYSA-N 0 1 256.262 0.588 20 5 CCBDMN CCN1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000935073009 615149677 /nfs/dbraw/zinc/14/96/77/615149677.db2.gz YTAXDVHPYCKUJT-SNVBAGLBSA-N 0 1 295.343 0.652 20 5 CCBDMN CCOC(=O)C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)=O ZINC000840673692 615209810 /nfs/dbraw/zinc/20/98/10/615209810.db2.gz YSZRAGLBIBDBHE-IWSPIJDZSA-N 0 1 273.241 0.106 20 5 CCBDMN CCN1CC[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000922155572 615256820 /nfs/dbraw/zinc/25/68/20/615256820.db2.gz BWYBZBPNNHPUGM-CHWSQXEVSA-N 0 1 293.323 0.839 20 5 CCBDMN CCOC(=O)c1c(C)onc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673885 615398341 /nfs/dbraw/zinc/39/83/41/615398341.db2.gz CDDDIGJWFSVYCO-VXNVDRBHSA-N 0 1 298.251 0.868 20 5 CCBDMN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000839689844 615436877 /nfs/dbraw/zinc/43/68/77/615436877.db2.gz AAWGFNBKDYWCNG-DDHJBXDOSA-N 0 1 298.339 0.430 20 5 CCBDMN CCO[C@H]1C[C@@](CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000840429891 615495458 /nfs/dbraw/zinc/49/54/58/615495458.db2.gz IADOMBULIYLKAG-DNJQJEMRSA-N 0 1 286.328 0.334 20 5 CCBDMN CCn1cnc2c1CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000886610247 615628431 /nfs/dbraw/zinc/62/84/31/615628431.db2.gz VOWPJHIXFKZQAS-LDYMZIIASA-N 0 1 264.285 0.453 20 5 CCBDMN CCn1nc(C)c(COC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000840674935 615666641 /nfs/dbraw/zinc/66/66/41/615666641.db2.gz SXNCFADFJYWHBS-VXNVDRBHSA-N 0 1 254.246 0.315 20 5 CCBDMN CCc1nc([C@@H](C)OC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000849699667 615754269 /nfs/dbraw/zinc/75/42/69/615754269.db2.gz LJKIEUZMUKSLMO-SSDOTTSWSA-N 0 1 294.271 0.776 20 5 CCBDMN CN(C)C(=O)c1ccccc1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841142984 615837943 /nfs/dbraw/zinc/83/79/43/615837943.db2.gz VMQRQMRIGUZPIF-NXEZZACHSA-N 0 1 278.264 0.959 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(C)(C)C)C1 ZINC000954239820 615867341 /nfs/dbraw/zinc/86/73/41/615867341.db2.gz QSJBWBVXYVAXTR-NXEZZACHSA-N 0 1 283.328 0.367 20 5 CCBDMN CN(C)c1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC000840673133 616005732 /nfs/dbraw/zinc/00/57/32/616005732.db2.gz HZOXZRFGXWLWIJ-NXEZZACHSA-N 0 1 265.269 0.856 20 5 CCBDMN C[N@@H+](CCNc1ccccc1[N+](=O)[O-])CCOCCO ZINC000882952587 616097440 /nfs/dbraw/zinc/09/74/40/616097440.db2.gz YZACNDHKWDKZOC-UHFFFAOYSA-N 0 1 283.328 0.947 20 5 CCBDMN CN(CCOC(=O)[C@@H]1CC1[N+](=O)[O-])CC(F)(F)F ZINC000842308401 616113997 /nfs/dbraw/zinc/11/39/97/616113997.db2.gz UMJYBDCNKXAVLZ-RNFRBKRXSA-N 0 1 270.207 0.689 20 5 CCBDMN C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828346253 616127598 /nfs/dbraw/zinc/12/75/98/616127598.db2.gz VYMIIHJHXPRUEL-SECBINFHSA-N 0 1 283.288 0.475 20 5 CCBDMN CN(C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)C(=O)[O-] ZINC000828258493 616155432 /nfs/dbraw/zinc/15/54/32/616155432.db2.gz FDQIEVKGCNYCIH-SNVBAGLBSA-N 0 1 297.315 0.723 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CCN(C)C(C)(C)C1 ZINC000894417318 616246843 /nfs/dbraw/zinc/24/68/43/616246843.db2.gz LMQLYDFNQWNWSX-UHFFFAOYSA-N 0 1 253.306 0.859 20 5 CCBDMN COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840409405 616287635 /nfs/dbraw/zinc/28/76/35/616287635.db2.gz ISCRAOOLFRQGHG-COMAGPEQSA-N 0 1 284.312 0.890 20 5 CCBDMN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1C ZINC000856085687 616301899 /nfs/dbraw/zinc/30/18/99/616301899.db2.gz MHURCMDKOQUGAN-SGIHWFKDSA-N 0 1 270.285 0.309 20 5 CCBDMN COC(OC)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000816614142 616357812 /nfs/dbraw/zinc/35/78/12/616357812.db2.gz OFOIRHSVXSQAKM-YFKPBYRVSA-N 0 1 258.234 0.055 20 5 CCBDMN COC(=O)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839571907 616516655 /nfs/dbraw/zinc/51/66/55/616516655.db2.gz SUHJSLNJOBCYIA-NXEZZACHSA-N 0 1 270.285 0.453 20 5 CCBDMN COC(=O)[C@H]1CCCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840416889 616647286 /nfs/dbraw/zinc/64/72/86/616647286.db2.gz NNTNNTBOOMAMSP-OPRDCNLKSA-N 0 1 270.285 0.596 20 5 CCBDMN CNC(=O)COc1cccc(CNCC[N+](=O)[O-])c1 ZINC000899871880 616664608 /nfs/dbraw/zinc/66/46/08/616664608.db2.gz USXCGZCQIQIQEY-UHFFFAOYSA-N 0 1 267.285 0.178 20 5 CCBDMN COC(=O)N1CC(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819178111 616807442 /nfs/dbraw/zinc/80/74/42/616807442.db2.gz QASNTLOZGAUCHL-LBPRGKRZSA-N 0 1 295.295 0.668 20 5 CCBDMN COC(=O)[C@@H](CC(F)(F)F)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839723915 616955567 /nfs/dbraw/zinc/95/55/67/616955567.db2.gz FJRLUDBNZPOQEP-HSUXUTPPSA-N 0 1 284.190 0.262 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CCN(C2CCOCC2)CC1 ZINC000892784038 623837642 /nfs/dbraw/zinc/83/76/42/623837642.db2.gz DZPBFDGCTDWYQF-UHFFFAOYSA-N 0 1 295.343 0.629 20 5 CCBDMN O=C(NCCNCC[N+](=O)[O-])c1ccccc1F ZINC000905058105 634792815 /nfs/dbraw/zinc/79/28/15/634792815.db2.gz DAJATGYCQPMFJH-UHFFFAOYSA-N 0 1 255.249 0.422 20 5 CCBDMN O=C(CC1CC1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001009759529 630748267 /nfs/dbraw/zinc/74/82/67/630748267.db2.gz UAXHVIYPSIMIDX-GHMZBOCLSA-N 0 1 281.312 0.123 20 5 CCBDMN O=C(OCc1cnn(CCF)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000909395400 630830824 /nfs/dbraw/zinc/83/08/24/630830824.db2.gz NEMVMRKGJVQVKL-RKDXNWHRSA-N 0 1 257.221 0.561 20 5 CCBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000840693057 632018738 /nfs/dbraw/zinc/01/87/38/632018738.db2.gz VUUIEJQZBIUFJE-LBPRGKRZSA-N 0 1 283.236 0.495 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CC(N2CCCC2)C1 ZINC000898610323 633634301 /nfs/dbraw/zinc/63/43/01/633634301.db2.gz YGNCVZVACWBBGV-UHFFFAOYSA-N 0 1 276.296 0.910 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC([NH+]2CCCC2)C1 ZINC000898614075 633634884 /nfs/dbraw/zinc/63/48/84/633634884.db2.gz CBWJBCPZECVINM-UHFFFAOYSA-N 0 1 292.295 0.616 20 5 CCBDMN O=C(N[C@@H]1CCCC12OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000898955028 633699407 /nfs/dbraw/zinc/69/94/07/633699407.db2.gz GGPXRLZRHFMYKJ-IWSPIJDZSA-N 0 1 256.258 0.063 20 5 CCBDMN COc1cc2c(cc1O)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000899799438 633896627 /nfs/dbraw/zinc/89/66/27/633896627.db2.gz WVZLUZCHFORVPM-GHMZBOCLSA-N 0 1 292.291 0.951 20 5 CCBDMN Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000991282089 635835600 /nfs/dbraw/zinc/83/56/00/635835600.db2.gz VWUKFSPBQVLFND-NXEZZACHSA-N 0 1 293.279 0.194 20 5 CCBDMN O=C(CCC1CC1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010770928 650263520 /nfs/dbraw/zinc/26/35/20/650263520.db2.gz YESPXZONHRXANK-VXGBXAGGSA-N 0 1 295.339 0.513 20 5 CCBDMN O=C(CC1CCC1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010892673 650277888 /nfs/dbraw/zinc/27/78/88/650277888.db2.gz JQUJUTOTUJNXAU-VXGBXAGGSA-N 0 1 295.339 0.513 20 5 CCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1(C2CC2)CC1 ZINC000994076856 637866862 /nfs/dbraw/zinc/86/68/62/637866862.db2.gz VPLJSLYYKWRUFZ-GHMZBOCLSA-N 0 1 293.323 0.169 20 5 CCBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccco1 ZINC001000662155 639150290 /nfs/dbraw/zinc/15/02/90/639150290.db2.gz IUHUJDFDNBLCRF-NXEZZACHSA-N 0 1 293.279 0.133 20 5 CCBDMN O=C(NCC1CN(C(=O)c2ccco2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001795577 639340545 /nfs/dbraw/zinc/34/05/45/639340545.db2.gz HUMURGRGTVAPCL-NXEZZACHSA-N 0 1 293.279 0.133 20 5 CCBDMN C[C@@H]1CN=C(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)S1 ZINC000839692540 640349546 /nfs/dbraw/zinc/34/95/46/640349546.db2.gz LASRTQYOVOKMBH-OPRDCNLKSA-N 0 1 298.368 0.287 20 5 CCBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000839702888 640350278 /nfs/dbraw/zinc/35/02/78/640350278.db2.gz CJZNULZGZQCJSB-IRCOFANPSA-N 0 1 278.312 0.958 20 5 CCBDMN O=C(NCc1cn(-c2ccccc2)nn1)[C@@H]1CC1[N+](=O)[O-] ZINC000839700324 640352152 /nfs/dbraw/zinc/35/21/52/640352152.db2.gz HMIMICMZNDBKDG-VXGBXAGGSA-N 0 1 287.279 0.549 20 5 CCBDMN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839737548 640355455 /nfs/dbraw/zinc/35/54/55/640355455.db2.gz VNDMVNICJNJYLC-DJLDLDEBSA-N 0 1 287.316 0.681 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000839708124 640356225 /nfs/dbraw/zinc/35/62/25/640356225.db2.gz DZQAXZRPXCPZGS-IRCOFANPSA-N 0 1 268.313 0.927 20 5 CCBDMN NC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000839724475 640357799 /nfs/dbraw/zinc/35/77/99/640357799.db2.gz INKJDUUGXBPYFH-OPRDCNLKSA-N 0 1 281.243 0.134 20 5 CCBDMN C[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000839729031 640358663 /nfs/dbraw/zinc/35/86/63/640358663.db2.gz UZIFBKREYNUGKF-UZWSLXQKSA-N 0 1 268.313 0.973 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1[C@H]1CCCO1 ZINC000839762351 640358930 /nfs/dbraw/zinc/35/89/30/640358930.db2.gz VKIFSMDXKKTLNA-GWOFURMSSA-N 0 1 254.286 0.822 20 5 CCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000839748860 640360300 /nfs/dbraw/zinc/36/03/00/640360300.db2.gz NDZRDRKZUQKVTK-AYHFEMFVSA-N 0 1 254.286 0.678 20 5 CCBDMN NC(=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839779037 640364312 /nfs/dbraw/zinc/36/43/12/640364312.db2.gz RWBVKBGKDCLMIS-OUAUKWLOSA-N 0 1 277.280 0.385 20 5 CCBDMN CS(=O)(=O)C1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000799711718 640592037 /nfs/dbraw/zinc/59/20/37/640592037.db2.gz TZLYAEQLVUFUJU-UHFFFAOYSA-N 0 1 288.281 0.657 20 5 CCBDMN C[C@@](NC(=O)[C@@H]1CC1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000840306161 641050452 /nfs/dbraw/zinc/05/04/52/641050452.db2.gz RVFBNPUAFQWEJT-BREBYQMCSA-N 0 1 277.280 0.169 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(F)n2)c1 ZINC000819184019 641387486 /nfs/dbraw/zinc/38/74/86/641387486.db2.gz VYCUUXWXJYXKKK-NSHDSACASA-N 0 1 295.274 0.476 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN[C@H](c2ccccc2)C1 ZINC000840474377 641707671 /nfs/dbraw/zinc/70/76/71/641707671.db2.gz HJGVVTGSYIQKFT-FRRDWIJNSA-N 0 1 275.308 0.825 20 5 CCBDMN O=C(O[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842335179 642892622 /nfs/dbraw/zinc/89/26/22/642892622.db2.gz AEEURNTZELOYPH-XLPZGREQSA-N 0 1 282.218 0.831 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000844434499 643215607 /nfs/dbraw/zinc/21/56/07/643215607.db2.gz UNZYBGUKPSNDLY-WNIMPLFLSA-N 0 1 296.348 0.833 20 5 CCBDMN C[C@H](C(=O)[O-])[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000851706585 643874036 /nfs/dbraw/zinc/87/40/36/643874036.db2.gz QWQZFHZPQLVVQE-LDYMZIIASA-N 0 1 298.299 0.090 20 5 CCBDMN O=C(NCCO[C@@H]1CC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000855606824 644336671 /nfs/dbraw/zinc/33/66/71/644336671.db2.gz QYJOBYSSYMZVDW-FSDSQADBSA-N 0 1 250.201 0.192 20 5 CCBDMN Cc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)nn1 ZINC000861057185 644853116 /nfs/dbraw/zinc/85/31/16/644853116.db2.gz CIBZBTSJMDBQPN-NXEZZACHSA-N 0 1 251.242 0.802 20 5 CCBDMN O=C(OC[C@H]1CCC2(CCOCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000861125155 644857897 /nfs/dbraw/zinc/85/78/97/644857897.db2.gz RKIVXJZOYSWODQ-GMTAPVOTSA-N 0 1 285.296 0.923 20 5 CCBDMN O=C(OCC[C@@H]1CCCNC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000861247059 644868654 /nfs/dbraw/zinc/86/86/54/644868654.db2.gz KDJLDKDVAPIMJZ-DJLDLDEBSA-N 0 1 256.258 0.111 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](C(F)F)CC1 ZINC000870648591 646015013 /nfs/dbraw/zinc/01/50/13/646015013.db2.gz IAVUZYQBSNZKMJ-BWZBUEFSSA-N 0 1 264.228 0.534 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H](O)[C@@H](O)C1 ZINC000876751345 646657158 /nfs/dbraw/zinc/65/71/58/646657158.db2.gz WTGWXGRHPJOUFD-BETUJISGSA-N 0 1 266.297 0.749 20 5 CCBDMN O=C(NC[C@@H]1CCC2(CCOCC2)CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000881555790 647325592 /nfs/dbraw/zinc/32/55/92/647325592.db2.gz FPTGOKFCBPBKBT-QJPTWQEYSA-N 0 1 298.339 0.744 20 5 CCBDMN O=[N+]([O-])c1c(F)nccc1NCCN1CC[C@H](O)C1 ZINC000882671656 647432086 /nfs/dbraw/zinc/43/20/86/647432086.db2.gz BLFKKTMYCCRDOV-QMMMGPOBSA-N 0 1 270.264 0.607 20 5 CCBDMN O=C(N[C@H]1C[C@@](CO)(c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000886907027 648036527 /nfs/dbraw/zinc/03/65/27/648036527.db2.gz NCTSAFJTJBBQLE-BHPKHCPMSA-N 0 1 290.319 0.861 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000887853808 648163239 /nfs/dbraw/zinc/16/32/39/648163239.db2.gz QMUYABKVDVJMSW-IRCOFANPSA-N 0 1 284.312 0.448 20 5 CCBDMN O=[N+]([O-])CCNC[C@@H](c1cccs1)N1CCOCC1 ZINC000929533021 648753422 /nfs/dbraw/zinc/75/34/22/648753422.db2.gz YQCNVNZJDHNCBS-NSHDSACASA-N 0 1 285.369 0.988 20 5 CCBDMN Cc1nc(N2C[C@@H]3[C@H](C2)OCCN3C)ccc1[N+](=O)[O-] ZINC000301662201 719371687 /nfs/dbraw/zinc/37/16/87/719371687.db2.gz MYXQBVRXUZEICN-NEPJUHHUSA-N 0 1 278.312 0.817 20 5 CCBDMN Cc1noc(C)c1CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266273023 790374740 /nfs/dbraw/zinc/37/47/40/790374740.db2.gz IWGCQCRVUNFNOT-ZYHUDNBSSA-N 0 1 296.327 0.505 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(OC2CCN(N)CC2)n1 ZINC001231263851 805764193 /nfs/dbraw/zinc/76/41/93/805764193.db2.gz NMZPCFXWIBPFEP-UHFFFAOYSA-N 0 1 268.273 0.721 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(OC[C@H]2COC(=O)O2)n1 ZINC001231261128 805764420 /nfs/dbraw/zinc/76/44/20/805764420.db2.gz YQVWAPPDZKWULM-LURJTMIESA-N 0 1 270.197 0.918 20 5 CCBDMN COc1cnc(NC[C@@H]2COCCN2)c([N+](=O)[O-])c1 ZINC001159043476 801747864 /nfs/dbraw/zinc/74/78/64/801747864.db2.gz STZVUUHCWUHGEQ-MRVPVSSYSA-N 0 1 268.273 0.399 20 5 CCBDMN CO[C@H]1COCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001159237019 801776988 /nfs/dbraw/zinc/77/69/88/801776988.db2.gz CILFZGQQMWZCQH-CBAPKCEASA-N 0 1 284.272 0.099 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC001159379402 801798193 /nfs/dbraw/zinc/79/81/93/801798193.db2.gz GCKKFFYFLBUCDP-UHFFFAOYSA-N 0 1 291.271 0.254 20 5 CCBDMN CC[C@@](N)(CO)Nc1cc(OC)c([N+](=O)[O-])cn1 ZINC001159744682 801860144 /nfs/dbraw/zinc/86/01/44/801860144.db2.gz YXNCFBDWUVHGOJ-JTQLQIEISA-N 0 1 256.262 0.468 20 5 CCBDMN CCc1nc([C@@H](C)OC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC001261587076 809025536 /nfs/dbraw/zinc/02/55/36/809025536.db2.gz RSXQMSLEDCDXFD-ZCFIWIBFSA-N 0 1 294.271 0.927 20 5 CCBDMN O=C(NCCNc1c[n+]([O-])ccc1[N+](=O)[O-])C(F)(F)F ZINC001164243787 802696850 /nfs/dbraw/zinc/69/68/50/802696850.db2.gz FOMSXEDXPLSDBU-UHFFFAOYSA-N 0 1 294.189 0.319 20 5 CCBDMN Cc1ncc([N+](=O)[O-])c(N2CC(N(C)[C@@H]3CCOC3)C2)n1 ZINC001165205948 802796556 /nfs/dbraw/zinc/79/65/56/802796556.db2.gz ZQKYPSYGANBVGY-SNVBAGLBSA-N 0 1 293.327 0.603 20 5 CCBDMN COC(=O)[C@H]1CNCCN1c1ncc([N+](=O)[O-])c(C)c1C ZINC001165437751 802840692 /nfs/dbraw/zinc/84/06/92/802840692.db2.gz BOXNRTWAXVCQPM-LLVKDONJSA-N 0 1 294.311 0.558 20 5 CCBDMN Cc1ncc([N+](=O)[O-])c(N2CC[C@@H](N)C(F)(F)C2)n1 ZINC001166960423 802995141 /nfs/dbraw/zinc/99/51/41/802995141.db2.gz IRGMNPNZFKPDJR-MRVPVSSYSA-N 0 1 273.243 0.866 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCC[C@@H]1O ZINC001213262177 803688145 /nfs/dbraw/zinc/68/81/45/803688145.db2.gz PFMIGQKMOTWGJA-CBAPKCEASA-N 0 1 287.297 0.182 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000405239258 803868211 /nfs/dbraw/zinc/86/82/11/803868211.db2.gz VIPULNHSANYNEX-WDEREUQCSA-N 0 1 278.312 0.553 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(N2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC000405239258 803868221 /nfs/dbraw/zinc/86/82/21/803868221.db2.gz VIPULNHSANYNEX-WDEREUQCSA-N 0 1 278.312 0.553 20 5 CCBDMN O=[N+]([O-])C[C@H](OCc1nn[nH]n1)c1ccc2c(c1)OCO2 ZINC001223026977 804947811 /nfs/dbraw/zinc/94/78/11/804947811.db2.gz KWSCOTHJPGZDKA-JTQLQIEISA-N 0 1 293.239 0.463 20 5 CCBDMN CO[C@@H]1CC[N@@H+](CCOc2nc(=O)[n-]cc2[N+](=O)[O-])C1 ZINC001226335621 805221812 /nfs/dbraw/zinc/22/18/12/805221812.db2.gz JYCXHPHRJSHSIR-MRVPVSSYSA-N 0 1 284.272 0.190 20 5 CCBDMN O=c1[nH]c(=O)c(F)c(O[C@@H](C[N+](=O)[O-])C2CC2)[nH]1 ZINC001229125310 805505360 /nfs/dbraw/zinc/50/53/60/805505360.db2.gz QPVZIXFJIGINTL-YFKPBYRVSA-N 0 1 259.193 0.461 20 5 CCBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC(C(N)=O)C1 ZINC001254560910 808260072 /nfs/dbraw/zinc/26/00/72/808260072.db2.gz ZKAPRLZFOCFICI-SECBINFHSA-N 0 1 263.297 0.943 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1NC[C@H](C)N1CCN(C)CC1 ZINC001258056606 808651566 /nfs/dbraw/zinc/65/15/66/808651566.db2.gz UJOVWNLPPBWCJA-LBPRGKRZSA-N 0 1 293.371 0.768 20 5 CCBDMN C[C@@H](c1nnc(N2CCN(C3CCC3)CC2)n1C)[N+](=O)[O-] ZINC001262864079 809418760 /nfs/dbraw/zinc/41/87/60/809418760.db2.gz XNRXJESBTBOVTG-JTQLQIEISA-N 0 1 294.359 0.827 20 5 CCBDMN O=C(NCCNCc1cscn1)[C@@H]1CC1[N+](=O)[O-] ZINC001126942699 815352244 /nfs/dbraw/zinc/35/22/44/815352244.db2.gz FFPJGBRJIVVQAM-RKDXNWHRSA-N 0 1 270.314 0.014 20 5 CCBDMN Cc1cncc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001030292795 815962607 /nfs/dbraw/zinc/96/26/07/815962607.db2.gz WAHXCRIHQWRRNB-CHWSQXEVSA-N 0 1 290.323 0.356 20 5 CCBDMN C/C=C(\C)C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989160 820127950 /nfs/dbraw/zinc/12/79/50/820127950.db2.gz QHCOXXZRNHGUDW-VIXUHMKYSA-N 0 1 295.339 0.773 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])S1 ZINC001163663690 820169851 /nfs/dbraw/zinc/16/98/51/820169851.db2.gz ZXJJDHPFCQIUGH-ZETCQYMHSA-N 0 1 288.216 0.088 20 5 CCBDMN CN1CCc2c(-n3nnnc3CN)ccc([N+](=O)[O-])c2C1 ZINC001168922938 836057325 /nfs/dbraw/zinc/05/73/25/836057325.db2.gz CVKHCCGWAXQLAW-UHFFFAOYSA-N 0 1 289.299 0.017 20 5 CCBDMN CN(C)C(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007696 836098124 /nfs/dbraw/zinc/09/81/24/836098124.db2.gz PKBNGFDWZWUAKD-NWDGAFQWSA-N 0 1 284.360 0.731 20 5 CCBDMN COC(=O)N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007327 836098249 /nfs/dbraw/zinc/09/82/49/836098249.db2.gz MOAQQDYNEINFDZ-MNOVXSKESA-N 0 1 271.317 0.816 20 5 CCBDMN NC(=O)N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030360 836107056 /nfs/dbraw/zinc/10/70/56/836107056.db2.gz ZBPMCPIHCPMOQG-UWVGGRQHSA-N 0 1 256.306 0.128 20 5 CCBDMN CS(=O)(=O)[C@@H]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037974 836112137 /nfs/dbraw/zinc/11/21/37/836112137.db2.gz UOHJAVVLEHROHY-HBNTYKKESA-N 0 1 276.358 0.551 20 5 CCBDMN Cc1cnc(CN)n1-c1cc([N+](=O)[O-])c(C)c[n+]1[O-] ZINC001169020467 836114947 /nfs/dbraw/zinc/11/49/47/836114947.db2.gz LLQNRXBXXHDOAN-UHFFFAOYSA-N 0 1 263.257 0.489 20 5 CCBDMN COc1nc(C)nc(-n2c(C)cnc2CN)c1[N+](=O)[O-] ZINC001169020518 836115863 /nfs/dbraw/zinc/11/58/63/836115863.db2.gz MXNLILDGMLCNIS-UHFFFAOYSA-N 0 1 278.272 0.655 20 5 CCBDMN COC(=O)c1cc(NC[C@@H]2COCCN2)cc([N+](=O)[O-])c1 ZINC001170044441 836780875 /nfs/dbraw/zinc/78/08/75/836780875.db2.gz LQGMTYUGJVDDKA-LLVKDONJSA-N 0 1 295.295 0.782 20 5 CCBDMN NCc1nnnn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001158080515 837922772 /nfs/dbraw/zinc/92/27/72/837922772.db2.gz QKCBEEDPGHCBMA-UHFFFAOYSA-N 0 1 271.240 0.577 20 5 CCBDMN COc1nc(N2CC3(CN(C)C3)C2)ccc1[N+](=O)[O-] ZINC001158864194 838639092 /nfs/dbraw/zinc/63/90/92/838639092.db2.gz LQKXQHKJDCWMTA-UHFFFAOYSA-N 0 1 264.285 0.750 20 5 CCBDMN O=C(Cc1nnc[nH]1)NCCNc1ccccc1[N+](=O)[O-] ZINC001093856559 841471643 /nfs/dbraw/zinc/47/16/43/841471643.db2.gz XASVYPHXARWDAZ-UHFFFAOYSA-N 0 1 290.283 0.484 20 5 CCBDMN O=C(Cc1cnc[nH]1)NCCNc1ncccc1[N+](=O)[O-] ZINC001094150491 841549239 /nfs/dbraw/zinc/54/92/39/841549239.db2.gz LCXLJTLJTACWKA-UHFFFAOYSA-N 0 1 290.283 0.484 20 5 CCBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1nnnc1CN ZINC001173235861 842021137 /nfs/dbraw/zinc/02/11/37/842021137.db2.gz VLBGTPJYPPFYOE-QMMMGPOBSA-N 0 1 262.273 0.844 20 5 CCBDMN CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001175836963 842284361 /nfs/dbraw/zinc/28/43/61/842284361.db2.gz FKOGRKLLRHKHFE-SECBINFHSA-N 0 1 280.284 0.519 20 5 CCBDMN CC[N@H+]1CC[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001175836963 842284366 /nfs/dbraw/zinc/28/43/66/842284366.db2.gz FKOGRKLLRHKHFE-SECBINFHSA-N 0 1 280.284 0.519 20 5 CCBDMN CNC(=O)C[C@@H](C)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001181829239 843623092 /nfs/dbraw/zinc/62/30/92/843623092.db2.gz XYWOXCJBPMPILA-MRVPVSSYSA-N 0 1 297.311 0.923 20 5 CCBDMN CCCCN1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001053253654 852720390 /nfs/dbraw/zinc/72/03/90/852720390.db2.gz SWZFLUAYXOJJGX-VXGBXAGGSA-N 0 1 297.355 0.365 20 5 CCBDMN CCC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001324617456 912940855 /nfs/dbraw/zinc/94/08/55/912940855.db2.gz WNJUXZQRTKYSOK-SSDOTTSWSA-N 0 1 281.272 0.059 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC001342028871 892659087 /nfs/dbraw/zinc/65/90/87/892659087.db2.gz ICWMYWKPSUFLKE-YUMQZZPRSA-N 0 1 268.273 0.469 20 5 CCBDMN Cn1cc(CN2CCC[C@H]2c2nnc[nH]2)c([N+](=O)[O-])n1 ZINC001174882876 899950328 /nfs/dbraw/zinc/95/03/28/899950328.db2.gz IPMLQOZILSJHKR-VIFPVBQESA-N 0 1 277.288 0.784 20 5 CCBDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001327366708 914502206 /nfs/dbraw/zinc/50/22/06/914502206.db2.gz CSJWYMOUNJRZJH-PSASIEDQSA-N 0 1 268.273 0.586 20 5 CCBDMN NC(=O)C[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC001460193997 902669291 /nfs/dbraw/zinc/66/92/91/902669291.db2.gz DYKOBUIOLOMIBE-SECBINFHSA-N 0 1 264.285 0.687 20 5 CCBDMN CC(C)(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284036824 905127990 /nfs/dbraw/zinc/12/79/90/905127990.db2.gz AUVLWPQUFSFTFO-GWOFURMSSA-N 0 1 297.355 0.851 20 5 CCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1)C1CC1 ZINC001285115331 905549748 /nfs/dbraw/zinc/54/97/48/905549748.db2.gz HLMALVHRWUDSLU-GHMZBOCLSA-N 0 1 295.339 0.607 20 5 CCBDMN CN(CCN(C)C(=O)C1CC=CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001285362817 905608932 /nfs/dbraw/zinc/60/89/32/905608932.db2.gz NZFMLOPKAJPJPK-VXGBXAGGSA-N 0 1 295.339 0.535 20 5 CCBDMN CC(C)CC(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001285458449 905642002 /nfs/dbraw/zinc/64/20/02/905642002.db2.gz JWJAASPSXFAMLL-ANDSXOESSA-N 0 1 283.328 0.486 20 5 CCBDMN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1nn[nH]n1 ZINC001292871877 906358205 /nfs/dbraw/zinc/35/82/05/906358205.db2.gz HBNSTYJAEOPXAX-UHFFFAOYSA-N 0 1 294.246 0.496 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(NC[C@H](O)c2cnc[nH]2)n1 ZINC001307208484 908294513 /nfs/dbraw/zinc/29/45/13/908294513.db2.gz KSSZLOOMLRODTJ-QMMMGPOBSA-N 0 1 252.234 0.197 20 5 CCBDMN O=C(N[C@H]1CC[C@H](O)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001320833161 910896698 /nfs/dbraw/zinc/89/66/98/910896698.db2.gz FECNFKZDMSABII-LJGSYFOKSA-N 0 1 254.246 0.351 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001321021528 911022546 /nfs/dbraw/zinc/02/25/46/911022546.db2.gz FHMCUSOYNDROOH-UHFFFAOYSA-N 0 1 262.229 0.380 20 5 CCBDMN O=C(NCCNCC[N+](=O)[O-])OCc1ccccc1 ZINC001335337033 920128186 /nfs/dbraw/zinc/12/81/86/920128186.db2.gz JIQIVPVRFAFLND-UHFFFAOYSA-N 0 1 267.285 0.779 20 5 CCBDMN O=C(O[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001343397362 923299359 /nfs/dbraw/zinc/29/93/59/923299359.db2.gz VANYWRIBFAKJQY-DNRKLUKYSA-N 0 1 271.269 0.533 20 5 CCBDMN CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)C(=O)[O-] ZINC001589736490 950539937 /nfs/dbraw/zinc/53/99/37/950539937.db2.gz ULKUAMODIGOGSC-VIFPVBQESA-N 0 1 283.284 0.552 20 5 CCBDMN O=C(NCCN1CCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000337608511 214179419 /nfs/dbraw/zinc/17/94/19/214179419.db2.gz WNTCOUOQIWSRQB-UHFFFAOYSA-N 0 1 289.295 0.907 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000427833942 529466324 /nfs/dbraw/zinc/46/63/24/529466324.db2.gz XGTNHVKYAHRHDL-YUMQZZPRSA-N 0 1 282.300 0.723 20 5 CCBDMN Cn1cc(CN2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])n1 ZINC000602487019 362640731 /nfs/dbraw/zinc/64/07/31/362640731.db2.gz YHJYSEHFQIJPAY-LBPRGKRZSA-N 0 1 266.301 0.941 20 5 CCBDMN Cn1cc(CN[C@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])n1 ZINC000602622118 362717712 /nfs/dbraw/zinc/71/77/12/362717712.db2.gz JWGMMKHALHTYQG-DTWKUNHWSA-N 0 1 254.290 0.577 20 5 CCBDMN C[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1CO ZINC000602713480 362764237 /nfs/dbraw/zinc/76/42/37/362764237.db2.gz BZDZYKPDCGJHJM-GXSJLCMTSA-N 0 1 268.317 0.779 20 5 CCBDMN C[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1CO ZINC000602713483 362764751 /nfs/dbraw/zinc/76/47/51/362764751.db2.gz BZDZYKPDCGJHJM-ONGXEEELSA-N 0 1 268.317 0.779 20 5 CCBDMN Cn1cc(CN[C@H]2CCOC2(C)C)c([N+](=O)[O-])n1 ZINC000602835899 362826878 /nfs/dbraw/zinc/82/68/78/362826878.db2.gz KTQMSTQYPJCQMK-VIFPVBQESA-N 0 1 254.290 0.985 20 5 CCBDMN Cc1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])n2C)n[nH]1 ZINC000343343652 137129402 /nfs/dbraw/zinc/12/94/02/137129402.db2.gz NUHQLDWEHXHHBC-LURJTMIESA-N 0 1 278.272 0.851 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])nn2C)[C@H](C)C1 ZINC000344418818 137193645 /nfs/dbraw/zinc/19/36/45/137193645.db2.gz JAUQLTJVADSUKV-NXEZZACHSA-N 0 1 295.343 0.883 20 5 CCBDMN O=C(Nc1nn[nH]n1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000346368896 137281919 /nfs/dbraw/zinc/28/19/19/137281919.db2.gz ILZXESWFKIZPKL-UHFFFAOYSA-N 0 1 292.211 0.131 20 5 CCBDMN O=C(NC1CCN(c2ccccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000044525539 348321901 /nfs/dbraw/zinc/32/19/01/348321901.db2.gz BQIFTILKULTUDS-VXGBXAGGSA-N 0 1 290.323 0.832 20 5 CCBDMN Cn1cc(CN2CCN(CCCF)CC2)c([N+](=O)[O-])n1 ZINC000602917027 362884648 /nfs/dbraw/zinc/88/46/48/362884648.db2.gz LKCWZTZKSNDXBH-UHFFFAOYSA-N 0 1 285.323 0.806 20 5 CCBDMN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H](C)N1 ZINC000070075778 348871631 /nfs/dbraw/zinc/87/16/31/348871631.db2.gz VMTSSFLNGCCRLT-IUCAKERBSA-N 0 1 266.301 0.756 20 5 CCBDMN Cc1cc(C(=O)NCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000080579788 349219206 /nfs/dbraw/zinc/21/92/06/349219206.db2.gz WQPOWIVWGMXIBM-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000089975762 349417752 /nfs/dbraw/zinc/41/77/52/349417752.db2.gz GNGRUHHDATWJSK-VIFPVBQESA-N 0 1 280.284 0.877 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)COC)c1[N+](=O)[O-] ZINC000171371870 350904900 /nfs/dbraw/zinc/90/49/00/350904900.db2.gz SIKKEPKJVAJBOQ-SSDOTTSWSA-N 0 1 270.289 0.987 20 5 CCBDMN COC(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174842886 351106527 /nfs/dbraw/zinc/10/65/27/351106527.db2.gz IYCJRGZESWADCW-JTQLQIEISA-N 0 1 282.300 0.676 20 5 CCBDMN COC(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176190738 351159285 /nfs/dbraw/zinc/15/92/85/351159285.db2.gz VZLKJDZCPNWBEN-UHFFFAOYSA-N 0 1 282.300 0.676 20 5 CCBDMN CCc1nc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n[nH]1 ZINC000183572303 351384049 /nfs/dbraw/zinc/38/40/49/351384049.db2.gz HLKHHKNIBBZSLU-UHFFFAOYSA-N 0 1 278.228 0.628 20 5 CCBDMN CCc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n1 ZINC000183572303 351384052 /nfs/dbraw/zinc/38/40/52/351384052.db2.gz HLKHHKNIBBZSLU-UHFFFAOYSA-N 0 1 278.228 0.628 20 5 CCBDMN Cc1nn(CCC(=O)N2CCN[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000188385574 351592043 /nfs/dbraw/zinc/59/20/43/351592043.db2.gz ILGQRFKSZWZHPK-SECBINFHSA-N 0 1 295.343 0.619 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCNC(=O)[C@@H]2CC)c1[N+](=O)[O-] ZINC000192535441 351790398 /nfs/dbraw/zinc/79/03/98/351790398.db2.gz XVPCSFOYULUPGN-QMMMGPOBSA-N 0 1 295.299 0.231 20 5 CCBDMN Cc1nn(C)c(N[C@@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC000226500019 352028714 /nfs/dbraw/zinc/02/87/14/352028714.db2.gz PNAKFBYYHUOBJR-LURJTMIESA-N 0 1 251.250 0.928 20 5 CCBDMN CCC(CC)[C@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270754486 352978927 /nfs/dbraw/zinc/97/89/27/352978927.db2.gz VGGPZPILCIOLPU-SECBINFHSA-N 0 1 270.289 0.845 20 5 CCBDMN O=C(NC[C@@H](O)C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272692079 353086308 /nfs/dbraw/zinc/08/63/08/353086308.db2.gz QOYYQABGADAQEF-LLVKDONJSA-N 0 1 266.253 0.801 20 5 CCBDMN CC[C@](NC(=O)c1n[nH]cc1[N+](=O)[O-])(C(N)=O)C(C)C ZINC000272834745 353099069 /nfs/dbraw/zinc/09/90/69/353099069.db2.gz HNCWPQVDAZFDFD-LLVKDONJSA-N 0 1 283.288 0.338 20 5 CCBDMN O=C(NCCCOCCO)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272880635 353102640 /nfs/dbraw/zinc/10/26/40/353102640.db2.gz YZCHDRYAQWCCNK-UHFFFAOYSA-N 0 1 284.268 0.429 20 5 CCBDMN O=C(NCCOCCO)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274701103 353154845 /nfs/dbraw/zinc/15/48/45/353154845.db2.gz PSRCDDSELGNXRX-UHFFFAOYSA-N 0 1 270.241 0.039 20 5 CCBDMN CC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000292318742 198242472 /nfs/dbraw/zinc/24/24/72/198242472.db2.gz AUGWCMOLATWNCB-SECBINFHSA-N 0 1 267.241 0.294 20 5 CCBDMN CCOc1cc(CN(CCO)CCO)ccc1[N+](=O)[O-] ZINC000276936775 353211898 /nfs/dbraw/zinc/21/18/98/353211898.db2.gz RQOXSRMWGVHFSP-UHFFFAOYSA-N 0 1 284.312 0.780 20 5 CCBDMN COC(=O)[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)OC ZINC000294163637 353875561 /nfs/dbraw/zinc/87/55/61/353875561.db2.gz VSYMCQFFKNUVQE-SNVBAGLBSA-N 0 1 298.251 0.218 20 5 CCBDMN CCc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)n[nH]1 ZINC000295508876 353899023 /nfs/dbraw/zinc/89/90/23/353899023.db2.gz HHQIXPKNBKVPRD-UHFFFAOYSA-N 0 1 290.283 0.788 20 5 CCBDMN CC[C@@H](CO)N1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331073613 354439774 /nfs/dbraw/zinc/43/97/74/354439774.db2.gz VAAJPVLDZQHYLB-NSHDSACASA-N 0 1 297.359 0.217 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000332732404 354730667 /nfs/dbraw/zinc/73/06/67/354730667.db2.gz WHDMLPLYDACSGA-ZETCQYMHSA-N 0 1 268.273 0.335 20 5 CCBDMN O=C(Cc1ccccc1[N+](=O)[O-])NCCN1CCC1 ZINC000337296102 355297046 /nfs/dbraw/zinc/29/70/46/355297046.db2.gz QTFNGKJMOUTIAR-UHFFFAOYSA-N 0 1 263.297 0.959 20 5 CCBDMN C[C@@H]1[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345332484 355800283 /nfs/dbraw/zinc/80/02/83/355800283.db2.gz YHFYZECTGORGPY-HTQZYQBOSA-N 0 1 267.289 0.530 20 5 CCBDMN C[C@@H]1[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCCN1C ZINC000345332484 355800298 /nfs/dbraw/zinc/80/02/98/355800298.db2.gz YHFYZECTGORGPY-HTQZYQBOSA-N 0 1 267.289 0.530 20 5 CCBDMN CC[C@@H]1CN(C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000558984917 291075735 /nfs/dbraw/zinc/07/57/35/291075735.db2.gz JSQRGGDRQOGSBM-SECBINFHSA-N 0 1 251.290 0.915 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C)CC[C@@H]2C)n1 ZINC000427834627 235382235 /nfs/dbraw/zinc/38/22/35/235382235.db2.gz TYAINAZPXZGJCD-JTQLQIEISA-N 0 1 295.343 0.977 20 5 CCBDMN CCN(Cc1cn(C)nn1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000359606409 137957771 /nfs/dbraw/zinc/95/77/71/137957771.db2.gz RMDSGIADDAVGKL-UHFFFAOYSA-N 0 1 293.287 0.417 20 5 CCBDMN CCN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000273582335 192213453 /nfs/dbraw/zinc/21/34/53/192213453.db2.gz PFXVLTLRJYGLDA-UHFFFAOYSA-N 0 1 293.279 0.605 20 5 CCBDMN CCc1nc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)n[nH]1 ZINC000354063056 356339120 /nfs/dbraw/zinc/33/91/20/356339120.db2.gz GCXSSNHJFSNSBI-UHFFFAOYSA-N 0 1 251.206 0.251 20 5 CCBDMN CCc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])n[nH]2)n1 ZINC000354063056 356339123 /nfs/dbraw/zinc/33/91/23/356339123.db2.gz GCXSSNHJFSNSBI-UHFFFAOYSA-N 0 1 251.206 0.251 20 5 CCBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@](C)(O)CO ZINC000619464286 366262908 /nfs/dbraw/zinc/26/29/08/366262908.db2.gz MBQFJTWGQNJFHL-CYBMUJFWSA-N 0 1 284.312 0.826 20 5 CCBDMN CC[C@@H]1CN(C)CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000619567109 366283111 /nfs/dbraw/zinc/28/31/11/366283111.db2.gz POHFLNLKQGKLQH-SECBINFHSA-N 0 1 281.316 0.874 20 5 CCBDMN CC[C@H]1CN(C)CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000619567110 366283140 /nfs/dbraw/zinc/28/31/40/366283140.db2.gz POHFLNLKQGKLQH-VIFPVBQESA-N 0 1 281.316 0.874 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000609132318 363472678 /nfs/dbraw/zinc/47/26/78/363472678.db2.gz DFQWWHDCTJHNOY-GHMZBOCLSA-N 0 1 295.343 0.364 20 5 CCBDMN Cc1n[nH]c(C(=O)NCCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000560710010 291111432 /nfs/dbraw/zinc/11/14/32/291111432.db2.gz CFOSAEMMENTIEU-UHFFFAOYSA-N 0 1 279.260 0.107 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000376618510 357486051 /nfs/dbraw/zinc/48/60/51/357486051.db2.gz MGTPWXPKQDQNLT-IVZWLZJFSA-N 0 1 293.327 0.847 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCS(=O)CC2)c1[N+](=O)[O-] ZINC000408120340 357926662 /nfs/dbraw/zinc/92/66/62/357926662.db2.gz VFDIMRSHGSZKRK-UHFFFAOYSA-N 0 1 286.313 0.085 20 5 CCBDMN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1C ZINC000408067222 357899670 /nfs/dbraw/zinc/89/96/70/357899670.db2.gz BDQPAAOJTRTWBN-ZJUUUORDSA-N 0 1 281.316 0.342 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN2CCC1CC2 ZINC000408269539 358000902 /nfs/dbraw/zinc/00/09/02/358000902.db2.gz KDIXAHKPXYBCKZ-UHFFFAOYSA-N 0 1 264.285 0.843 20 5 CCBDMN C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000562471753 291154055 /nfs/dbraw/zinc/15/40/55/291154055.db2.gz MRZZXOKHHWCOFR-VIFPVBQESA-N 0 1 294.311 0.910 20 5 CCBDMN [NH3+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000567834951 358597745 /nfs/dbraw/zinc/59/77/45/358597745.db2.gz WCWFHGKKNJSMGY-QMMMGPOBSA-N 0 1 280.284 0.506 20 5 CCBDMN CCc1n[nH]c(C(=O)N2CC(n3ccnc3)C2)c1[N+](=O)[O-] ZINC000568583139 358686474 /nfs/dbraw/zinc/68/64/74/358686474.db2.gz KEZZWRHARZYDSZ-UHFFFAOYSA-N 0 1 290.283 0.774 20 5 CCBDMN CN1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])nc3)C[C@@H]21 ZINC000585781933 359273117 /nfs/dbraw/zinc/27/31/17/359273117.db2.gz DQHONGNMMOQGRI-RYUDHWBXSA-N 0 1 278.312 0.899 20 5 CCBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1c[nH]nn1 ZINC000589840675 359405307 /nfs/dbraw/zinc/40/53/07/359405307.db2.gz SUBQWNJBUSQXNG-UHFFFAOYSA-N 0 1 297.221 0.850 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000590334632 359440398 /nfs/dbraw/zinc/44/03/98/359440398.db2.gz MAUGOZLNFNSWKD-UHFFFAOYSA-N 0 1 280.284 0.879 20 5 CCBDMN C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590334087 359440765 /nfs/dbraw/zinc/44/07/65/359440765.db2.gz BPUJGUQJBNWKJP-NXEZZACHSA-N 0 1 294.311 0.908 20 5 CCBDMN O=C(Nc1n[nH]c2ncnn12)c1ccc([N+](=O)[O-])cc1F ZINC000590379816 359446691 /nfs/dbraw/zinc/44/66/91/359446691.db2.gz QVHSVAXSVAFIMJ-UHFFFAOYSA-N 0 1 291.202 0.752 20 5 CCBDMN CC[C@H](C)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000297065863 200076626 /nfs/dbraw/zinc/07/66/26/200076626.db2.gz VAHYKHRHFLRMFF-NSHDSACASA-N 0 1 295.343 0.734 20 5 CCBDMN Cc1nc(N2CC(N3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593503932 360100651 /nfs/dbraw/zinc/10/06/51/360100651.db2.gz MTWFSLXIVDCKHS-LLVKDONJSA-N 0 1 278.312 0.553 20 5 CCBDMN C[C@@H]1[C@@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)CN1C ZINC000593187612 360051542 /nfs/dbraw/zinc/05/15/42/360051542.db2.gz OUJIDFCPZVMJHQ-IVZWLZJFSA-N 0 1 296.331 0.126 20 5 CCBDMN C[C@H](O)CN[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000593920052 360215930 /nfs/dbraw/zinc/21/59/30/360215930.db2.gz JKBOTOPQIIYEDE-KWQFWETISA-N 0 1 293.279 0.197 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1CC1 ZINC000594743436 360373831 /nfs/dbraw/zinc/37/38/31/360373831.db2.gz USHFAYZGZWHYHH-UHFFFAOYSA-N 0 1 257.271 0.678 20 5 CCBDMN CC[C@H](O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594776051 360380607 /nfs/dbraw/zinc/38/06/07/360380607.db2.gz ORSRVXCREYZNFN-ZETCQYMHSA-N 0 1 275.286 0.039 20 5 CCBDMN CO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C(=O)[O-])C1 ZINC000563457348 291232319 /nfs/dbraw/zinc/23/23/19/291232319.db2.gz ZXRSETYCQNCHJN-MNOVXSKESA-N 0 1 298.299 0.355 20 5 CCBDMN C[C@@H](NC(=O)C1(O)CNC1)c1cccc([N+](=O)[O-])c1 ZINC000595926384 360706670 /nfs/dbraw/zinc/70/66/70/360706670.db2.gz CXOKZZRGRZYSES-MRVPVSSYSA-N 0 1 265.269 0.106 20 5 CCBDMN O=c1[nH]ccc(N2CCc3cn[nH]c3C2)c1[N+](=O)[O-] ZINC000596172754 360821062 /nfs/dbraw/zinc/82/10/62/360821062.db2.gz YFFJGWKSZSSUHG-UHFFFAOYSA-N 0 1 261.241 0.981 20 5 CCBDMN C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)[C@@H](C)CN1CCO ZINC000596275146 360863542 /nfs/dbraw/zinc/86/35/42/360863542.db2.gz NOVVKPIDSNWAEF-ZJUUUORDSA-N 0 1 295.343 0.463 20 5 CCBDMN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597945966 361289106 /nfs/dbraw/zinc/28/91/06/361289106.db2.gz LIPRPBXPBVWVCK-SNVBAGLBSA-N 0 1 295.343 0.977 20 5 CCBDMN CN(Cc1cnc[nH]1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000597864360 361272683 /nfs/dbraw/zinc/27/26/83/361272683.db2.gz PJYMNWJEXIVDBG-UHFFFAOYSA-N 0 1 264.245 0.173 20 5 CCBDMN CC[C@@H]1CN(C)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000563990208 291262616 /nfs/dbraw/zinc/26/26/16/291262616.db2.gz RTTDOLUNLNQBMI-SNVBAGLBSA-N 0 1 294.311 0.862 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C[C@H]2COCCO2)c1[N+](=O)[O-] ZINC000598180553 361348954 /nfs/dbraw/zinc/34/89/54/361348954.db2.gz GASFTZMPMFRZDU-QMMMGPOBSA-N 0 1 298.299 0.368 20 5 CCBDMN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000182447417 189323869 /nfs/dbraw/zinc/32/38/69/189323869.db2.gz OGYWLAUYBARDLS-RNFRBKRXSA-N 0 1 284.272 0.635 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000598397566 361404190 /nfs/dbraw/zinc/40/41/90/361404190.db2.gz WCNJTDCRXKTDIQ-BDAKNGLRSA-N 0 1 280.284 0.735 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC000598449056 361420367 /nfs/dbraw/zinc/42/03/67/361420367.db2.gz PXXXCHIBSDKKRY-AMIZOPFISA-N 0 1 296.327 0.971 20 5 CCBDMN Cc1ccnc(NCCN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599199455 361608501 /nfs/dbraw/zinc/60/85/01/361608501.db2.gz LIANRSUZTXOWQQ-JTQLQIEISA-N 0 1 266.301 0.777 20 5 CCBDMN CC(C)OCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599277573 361630595 /nfs/dbraw/zinc/63/05/95/361630595.db2.gz NVQCDPVVRCAPIZ-UHFFFAOYSA-N 0 1 292.317 0.032 20 5 CCBDMN CN(C)c1ccnc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000612346980 363889732 /nfs/dbraw/zinc/88/97/32/363889732.db2.gz QJVGIKRGYWQDGJ-UHFFFAOYSA-N 0 1 290.283 0.891 20 5 CCBDMN NC(=O)C1([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])CCOCC1 ZINC000616141702 365188408 /nfs/dbraw/zinc/18/84/08/365188408.db2.gz JVZBYBBXKXRFOP-UHFFFAOYSA-N 0 1 295.295 0.425 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(OC)C2)c1[N+](=O)[O-] ZINC000331608967 204009652 /nfs/dbraw/zinc/00/96/52/204009652.db2.gz WGEGWHUPWFQQBB-UHFFFAOYSA-N 0 1 254.246 0.351 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCn3ccnc3C2)c1[N+](=O)[O-] ZINC000331819032 204200137 /nfs/dbraw/zinc/20/01/37/204200137.db2.gz HBSYYGKCRZTDTE-UHFFFAOYSA-N 0 1 290.283 0.733 20 5 CCBDMN O=C([C@@H]1CNCCO1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262615908 284507962 /nfs/dbraw/zinc/50/79/62/284507962.db2.gz CXCBUAUZECXMNI-LBPRGKRZSA-N 0 1 277.280 0.472 20 5 CCBDMN Cc1cnc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000569352576 291671981 /nfs/dbraw/zinc/67/19/81/291671981.db2.gz VLJCMCYUCPFBAD-SNVBAGLBSA-N 0 1 297.340 0.707 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000267296312 190319193 /nfs/dbraw/zinc/31/91/93/190319193.db2.gz DQWYSYXUTZANFX-QMMMGPOBSA-N 0 1 282.300 0.989 20 5 CCBDMN NC(=O)c1cc([N+](=O)[O-])cnc1NCCCc1nc[nH]n1 ZINC000281022051 195072399 /nfs/dbraw/zinc/07/23/99/195072399.db2.gz SHEDPEHRLSNHGJ-UHFFFAOYSA-N 0 1 291.271 0.252 20 5 CCBDMN COCCNCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423718858 533019387 /nfs/dbraw/zinc/01/93/87/533019387.db2.gz DKACDJFIQFBONP-UHFFFAOYSA-N 0 1 293.283 0.646 20 5 CCBDMN CO[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1OC ZINC000487983968 285257673 /nfs/dbraw/zinc/25/76/73/285257673.db2.gz XUSYKRHIJQEIJS-UWVGGRQHSA-N 0 1 270.289 0.137 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC(C(=O)NC)C2)c1[N+](=O)[O-] ZINC000186178832 388825477 /nfs/dbraw/zinc/82/54/77/388825477.db2.gz OWKKGCPURQXLSY-UHFFFAOYSA-N 0 1 295.299 0.088 20 5 CCBDMN O=C(NCC[NH+]1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186938754 388859922 /nfs/dbraw/zinc/85/99/22/388859922.db2.gz QOZXZKITMWLMST-UHFFFAOYSA-N 0 1 294.311 0.911 20 5 CCBDMN Cc1ccnc(N2CCCN(CCO)CC2)c1[N+](=O)[O-] ZINC000070496864 388955907 /nfs/dbraw/zinc/95/59/07/388955907.db2.gz BOVOACFCQBAEMF-UHFFFAOYSA-N 0 1 280.328 0.803 20 5 CCBDMN CC(C)[N@H+](C)CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193516254 389071863 /nfs/dbraw/zinc/07/18/63/389071863.db2.gz CKJXIFZWBYGFTP-UHFFFAOYSA-N 0 1 282.300 0.765 20 5 CCBDMN CC(C)[N@@H+](C)CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193516254 389071865 /nfs/dbraw/zinc/07/18/65/389071865.db2.gz CKJXIFZWBYGFTP-UHFFFAOYSA-N 0 1 282.300 0.765 20 5 CCBDMN CN1CC[N@H+](C)C[C@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000111841591 389115034 /nfs/dbraw/zinc/11/50/34/389115034.db2.gz XPNRQSXXRYHKQG-CQSZACIVSA-N 0 1 278.356 0.930 20 5 CCBDMN O=C(C[C@@H]1COCCN1)NCc1ccc([N+](=O)[O-])cc1 ZINC000130263585 389202733 /nfs/dbraw/zinc/20/27/33/389202733.db2.gz IZVFBYZPNSCKIM-LLVKDONJSA-N 0 1 279.296 0.590 20 5 CCBDMN O=C1CCCN1[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000340998416 389177589 /nfs/dbraw/zinc/17/75/89/389177589.db2.gz NAPWFSOWLZNDCP-NSHDSACASA-N 0 1 293.327 0.488 20 5 CCBDMN C[C@H]1CCN(C)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343414282 389266052 /nfs/dbraw/zinc/26/60/52/389266052.db2.gz UASFSINEESMDCS-QMMMGPOBSA-N 0 1 267.289 0.484 20 5 CCBDMN C[C@@H]1CCOCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000362232454 389232660 /nfs/dbraw/zinc/23/26/60/389232660.db2.gz BNJOTSNHADKSRG-SNVBAGLBSA-N 0 1 254.290 0.902 20 5 CCBDMN CCN1C[C@H](C)N(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1C ZINC000345168395 389291941 /nfs/dbraw/zinc/29/19/41/389291941.db2.gz FIUGBUGBICAETE-IUCAKERBSA-N 0 1 280.332 0.716 20 5 CCBDMN Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000345310817 389302031 /nfs/dbraw/zinc/30/20/31/389302031.db2.gz CRIIXHZSQCCOPY-RKDXNWHRSA-N 0 1 281.316 0.839 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000159763133 389372580 /nfs/dbraw/zinc/37/25/80/389372580.db2.gz VYNUBIMQFPJWHA-XPUUQOCRSA-N 0 1 254.246 0.615 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000268778656 389391439 /nfs/dbraw/zinc/39/14/39/389391439.db2.gz ZXVUABVMFVKYTB-SSDOTTSWSA-N 0 1 268.273 0.741 20 5 CCBDMN COC(=O)CCCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159268874 389362486 /nfs/dbraw/zinc/36/24/86/389362486.db2.gz NOLNZJCQDSFREC-UHFFFAOYSA-N 0 1 284.272 0.781 20 5 CCBDMN CC(C)N1CC(NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000276646386 389522170 /nfs/dbraw/zinc/52/21/70/389522170.db2.gz RLFNPNUDWZXHAM-UHFFFAOYSA-N 0 1 253.262 0.140 20 5 CCBDMN C[C@@H](NCC(=O)N1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000180414037 389669920 /nfs/dbraw/zinc/66/99/20/389669920.db2.gz XWCFEKAEXKOSJU-SECBINFHSA-N 0 1 292.295 0.797 20 5 CCBDMN COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181963283 389697702 /nfs/dbraw/zinc/69/77/02/389697702.db2.gz DDPAIGFTLFGPQS-UHFFFAOYSA-N 0 1 297.311 0.608 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000429407815 389755113 /nfs/dbraw/zinc/75/51/13/389755113.db2.gz KKKWRWNNZHTFDT-KNVOCYPGSA-N 0 1 267.289 0.449 20 5 CCBDMN C[C@@H]1C[C@H](O)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000401607673 389800351 /nfs/dbraw/zinc/80/03/51/389800351.db2.gz GYUGWRBXHAVALX-SKDRFNHKSA-N 0 1 293.323 0.896 20 5 CCBDMN C[C@H]1C[C@@H](O)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000401607671 389800406 /nfs/dbraw/zinc/80/04/06/389800406.db2.gz GYUGWRBXHAVALX-JOYOIKCWSA-N 0 1 293.323 0.896 20 5 CCBDMN O=C1NCC[C@@H]1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000408358300 389845614 /nfs/dbraw/zinc/84/56/14/389845614.db2.gz NQMDWUOETOMKLS-JTQLQIEISA-N 0 1 279.300 0.317 20 5 CCBDMN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[N@@H+]1C ZINC000439946451 390028483 /nfs/dbraw/zinc/02/84/83/390028483.db2.gz BSZDRPDKVSUXII-IUCAKERBSA-N 0 1 294.311 0.908 20 5 CCBDMN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[N@H+]1C ZINC000439946451 390028485 /nfs/dbraw/zinc/02/84/85/390028485.db2.gz BSZDRPDKVSUXII-IUCAKERBSA-N 0 1 294.311 0.908 20 5 CCBDMN Cc1nc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)n[nH]1 ZINC000488277691 390092572 /nfs/dbraw/zinc/09/25/72/390092572.db2.gz LFNWQSZUKBNAQI-UHFFFAOYSA-N 0 1 269.648 0.885 20 5 CCBDMN C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000579235435 390155080 /nfs/dbraw/zinc/15/50/80/390155080.db2.gz MKYDUJIOJPLFTA-ZETCQYMHSA-N 0 1 268.273 0.281 20 5 CCBDMN CN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000542809895 390271412 /nfs/dbraw/zinc/27/14/12/390271412.db2.gz XWRCUQDOTMHSKY-UHFFFAOYSA-N 0 1 279.252 0.215 20 5 CCBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC[N@H+](C)C2CC2)n1 ZINC000567392643 390696897 /nfs/dbraw/zinc/69/68/97/390696897.db2.gz ZOQYUBFJJFBWEB-UHFFFAOYSA-N 0 1 294.311 0.924 20 5 CCBDMN C[S@@](=O)CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356555234 144013998 /nfs/dbraw/zinc/01/39/98/144013998.db2.gz WLSVESQDJOOJMJ-LJQANCHMSA-N 0 1 286.309 0.799 20 5 CCBDMN O=C(NCCc1nnc[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356623036 144020133 /nfs/dbraw/zinc/02/01/33/144020133.db2.gz SLVOABOZBLHNTD-UHFFFAOYSA-N 0 1 277.240 0.391 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2C[C@H](O)C3(CC3)C2)c1[N+](=O)[O-] ZINC000372361590 144364143 /nfs/dbraw/zinc/36/41/43/144364143.db2.gz ZPDIQSLPZGGQHA-VIFPVBQESA-N 0 1 294.311 0.867 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000552667278 286170566 /nfs/dbraw/zinc/17/05/66/286170566.db2.gz XAJLMONHIFMQHZ-MRVPVSSYSA-N 0 1 295.299 0.319 20 5 CCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCNC(=O)C1 ZINC000045297924 175354500 /nfs/dbraw/zinc/35/45/00/175354500.db2.gz SCDLIXCLBARPPF-UHFFFAOYSA-N 0 1 289.251 0.043 20 5 CCBDMN C[C@@H](O)CN(CCO)Cc1ccccc1[N+](=O)[O-] ZINC000310983164 278394393 /nfs/dbraw/zinc/39/43/93/278394393.db2.gz RHWFHNJFEACCOW-SNVBAGLBSA-N 0 1 254.286 0.770 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCn3cnnc3[C@H]2C)c1[N+](=O)[O-] ZINC000360722638 280189142 /nfs/dbraw/zinc/18/91/42/280189142.db2.gz PMPWKSCEIRBGKX-SSDOTTSWSA-N 0 1 291.271 0.435 20 5 CCBDMN C[N@H+](CC(=O)[O-])C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582791193 329206971 /nfs/dbraw/zinc/20/69/71/329206971.db2.gz QNMYASSJRWDGGJ-SNVBAGLBSA-N 0 1 284.268 0.351 20 5 CCBDMN C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000577176025 335316298 /nfs/dbraw/zinc/31/62/98/335316298.db2.gz ACJDDNMEKGYKMP-RKDXNWHRSA-N 0 1 294.311 0.895 20 5 CCBDMN CC(C)[N@H+]1CCC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000581358745 336060128 /nfs/dbraw/zinc/06/01/28/336060128.db2.gz VAUREZSEGJXEPT-VIFPVBQESA-N 0 1 281.316 0.921 20 5 CCBDMN COCCn1cc(Nc2ncc([N+](=O)[O-])cn2)cn1 ZINC000049546205 522112587 /nfs/dbraw/zinc/11/25/87/522112587.db2.gz AQCAXXYOFKLRKP-UHFFFAOYSA-N 0 1 264.245 0.971 20 5 CCBDMN COc1cc([C@H]2NC(=O)CN2C)cc([N+](=O)[O-])c1O ZINC000339967366 522962814 /nfs/dbraw/zinc/96/28/14/522962814.db2.gz XMTMVUBUUNIDKQ-NSHDSACASA-N 0 1 267.241 0.369 20 5 CCBDMN CC(C)(C)NC(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343255220 534690570 /nfs/dbraw/zinc/69/05/70/534690570.db2.gz XHRIKEVTHPIMJZ-UHFFFAOYSA-N 0 1 283.288 0.353 20 5 CCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1nnc[nH]1 ZINC000358404391 534705080 /nfs/dbraw/zinc/70/50/80/534705080.db2.gz AVLLYPKYGFJBHH-UHFFFAOYSA-N 0 1 279.231 0.711 20 5 CCBDMN O=C(N[C@@H]1CC[C@H]1O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000425041091 534769878 /nfs/dbraw/zinc/76/98/78/534769878.db2.gz ACALMXACMVOJPL-NXEZZACHSA-N 0 1 252.226 0.554 20 5 CCBDMN Cc1cccc([N+](=O)[O-])c1N(C)CC(=O)N1CCNCC1 ZINC000157580109 524905933 /nfs/dbraw/zinc/90/59/33/524905933.db2.gz SYLWSOVEJKSIIB-UHFFFAOYSA-N 0 1 292.339 0.771 20 5 CCBDMN CC(C)(CO)ONC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000296741649 527213096 /nfs/dbraw/zinc/21/30/96/527213096.db2.gz ASSBXNLYEIWPMX-UHFFFAOYSA-N 0 1 294.267 0.903 20 5 CCBDMN CC[C@@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000456523090 529354494 /nfs/dbraw/zinc/35/44/94/529354494.db2.gz FAWOPDIBCOTTBY-SNVBAGLBSA-N 0 1 295.343 0.885 20 5 CCBDMN CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]2C ZINC000368941816 535016791 /nfs/dbraw/zinc/01/67/91/535016791.db2.gz QZAQRNGRGDMSJT-IVZWLZJFSA-N 0 1 293.327 0.970 20 5 CCBDMN COC[C@@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167828826 536664939 /nfs/dbraw/zinc/66/49/39/536664939.db2.gz MVRCGTWAKWZZKL-GZMMTYOYSA-N 0 1 267.285 0.746 20 5 CCBDMN C[C@@H]1CN(C[C@H]2CCCN2CC[N+](=O)[O-])C[C@@H](C)O1 ZINC000791053564 581206229 /nfs/dbraw/zinc/20/62/29/581206229.db2.gz UFRXVCQSVIAVKN-JHJVBQTASA-N 0 1 271.361 0.837 20 5 CCBDMN C[C@@H]1CN(C[C@@H]2CCCN2CC[N+](=O)[O-])C[C@H](C)O1 ZINC000791053568 581206507 /nfs/dbraw/zinc/20/65/07/581206507.db2.gz UFRXVCQSVIAVKN-XQQFMLRXSA-N 0 1 271.361 0.837 20 5 CCBDMN CCc1cc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000770484775 581747020 /nfs/dbraw/zinc/74/70/20/581747020.db2.gz NVNTXFSWZNIZBU-UHFFFAOYSA-N 0 1 291.267 0.911 20 5 CCBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@@H](O)C[C@H]2CO)cc1 ZINC000770666288 581760446 /nfs/dbraw/zinc/76/04/46/581760446.db2.gz XVTSNTJYCCJQML-AVGNSLFASA-N 0 1 282.296 0.056 20 5 CCBDMN C[C@H](C[N@H+](Cn1nccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736580516 581797332 /nfs/dbraw/zinc/79/73/32/581797332.db2.gz CLPYDPUDSKXMGN-MRVPVSSYSA-N 0 1 268.273 0.934 20 5 CCBDMN C[C@H](C[N@@H+](Cn1nccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736580516 581797334 /nfs/dbraw/zinc/79/73/34/581797334.db2.gz CLPYDPUDSKXMGN-MRVPVSSYSA-N 0 1 268.273 0.934 20 5 CCBDMN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1nnc[nH]1 ZINC000746235681 581903604 /nfs/dbraw/zinc/90/36/04/581903604.db2.gz CTEVNZWLPYLESY-UHFFFAOYSA-N 0 1 295.230 0.547 20 5 CCBDMN O=C(OCCn1ccccc1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000749054462 581995972 /nfs/dbraw/zinc/99/59/72/581995972.db2.gz FMJVPHPZZURHKY-UHFFFAOYSA-N 0 1 277.236 0.942 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@H](O)C[C@H]2CO)cc1 ZINC000764982784 582080015 /nfs/dbraw/zinc/08/00/15/582080015.db2.gz XVTSNTJYCCJQML-YNEHKIRRSA-N 0 1 282.296 0.056 20 5 CCBDMN CN(CCS(C)(=O)=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000768361982 582105871 /nfs/dbraw/zinc/10/58/71/582105871.db2.gz LHFSWVWPGCLWNN-UHFFFAOYSA-N 0 1 288.325 0.777 20 5 CCBDMN CN(C[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)C(=O)[O-] ZINC000828223680 603709871 /nfs/dbraw/zinc/70/98/71/603709871.db2.gz ONNFRALVHFBAGG-SNVBAGLBSA-N 0 1 297.315 0.866 20 5 CCBDMN O=C([O-])N[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000834189710 605650427 /nfs/dbraw/zinc/65/04/27/605650427.db2.gz OIRMBZPIWUOTAR-VIFPVBQESA-N 0 1 296.283 0.098 20 5 CCBDMN O=C([O-])N[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834189503 606030334 /nfs/dbraw/zinc/03/03/34/606030334.db2.gz MOYYKUBUJVVYLY-JQWIXIFHSA-N 0 1 295.295 0.970 20 5 CCBDMN COc1ccccc1[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839725661 617317414 /nfs/dbraw/zinc/31/74/14/617317414.db2.gz UBGZNRMQXTXZTC-GMTAPVOTSA-N 0 1 280.280 0.510 20 5 CCBDMN CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000959612144 613808096 /nfs/dbraw/zinc/80/80/96/613808096.db2.gz WETRIWKLBLFEJT-NZEXEKPDSA-N 0 1 295.339 0.557 20 5 CCBDMN CC(C)(C)N1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000839695861 613945132 /nfs/dbraw/zinc/94/51/32/613945132.db2.gz LVMDZLWPBQHXOU-DJLDLDEBSA-N 0 1 269.301 0.167 20 5 CCBDMN CC1([C@@H]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)OCCO1 ZINC000839725950 614936345 /nfs/dbraw/zinc/93/63/45/614936345.db2.gz MAWPWTGIEXEVFD-GMTAPVOTSA-N 0 1 284.312 0.653 20 5 CCBDMN CCOC(=O)C[C@H](C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713402 615211223 /nfs/dbraw/zinc/21/12/23/615211223.db2.gz AIVOECYCDCCQAB-DJLDLDEBSA-N 0 1 258.274 0.357 20 5 CCBDMN CCOC1CC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839733892 615215452 /nfs/dbraw/zinc/21/54/52/615215452.db2.gz LXPSWORBFJDDBX-JPPWEJMLSA-N 0 1 256.302 0.973 20 5 CCBDMN CCN1CC[C@@H]1CNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000829450326 615244086 /nfs/dbraw/zinc/24/40/86/615244086.db2.gz QIFUTQDBMNWFCB-SNVBAGLBSA-N 0 1 281.316 0.310 20 5 CCBDMN CN(C(=O)CC1CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953497383 615807831 /nfs/dbraw/zinc/80/78/31/615807831.db2.gz ZMIYSJAONPNHOJ-GHMZBOCLSA-N 0 1 281.312 0.121 20 5 CCBDMN CN(C(=O)[O-])[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000827890025 615845768 /nfs/dbraw/zinc/84/57/68/615845768.db2.gz NSMNGMGUZAUYHR-VIFPVBQESA-N 0 1 283.288 0.475 20 5 CCBDMN CN(C(=O)c1ccoc1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953727023 615917153 /nfs/dbraw/zinc/91/71/53/615917153.db2.gz MINRLXZMWKJXJS-GHMZBOCLSA-N 0 1 293.279 0.228 20 5 CCBDMN CN1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000931410225 616242260 /nfs/dbraw/zinc/24/22/60/616242260.db2.gz KCLSGDPWFWUQGM-LBPRGKRZSA-N 0 1 295.339 0.582 20 5 CCBDMN COC1(C(F)(F)F)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000889069806 616436780 /nfs/dbraw/zinc/43/67/80/616436780.db2.gz UZWOEQIMASQUFS-PHDIDXHHSA-N 0 1 268.191 0.441 20 5 CCBDMN COC(=O)CC1CC(OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842368482 616515497 /nfs/dbraw/zinc/51/54/97/616515497.db2.gz XCQGNCLEVBHJMP-GEPGNKONSA-N 0 1 257.242 0.537 20 5 CCBDMN COC(=O)CCC(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840341019 616519295 /nfs/dbraw/zinc/51/92/95/616519295.db2.gz JOMZFFGGZBRBNK-HTQZYQBOSA-N 0 1 258.274 0.500 20 5 CCBDMN COC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000840391299 616630130 /nfs/dbraw/zinc/63/01/30/616630130.db2.gz HAIFLLHWQNSXHW-GMTAPVOTSA-N 0 1 284.312 0.890 20 5 CCBDMN COC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000842325011 616749574 /nfs/dbraw/zinc/74/95/74/616749574.db2.gz JSGRIVYEZUNFOX-PBXRRBTRSA-N 0 1 257.164 0.772 20 5 CCBDMN COC(=O)[C@@H](C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000840436751 616942446 /nfs/dbraw/zinc/94/24/46/616942446.db2.gz OWCFYPVRLAWJJS-SZEHBUNVSA-N 0 1 270.285 0.594 20 5 CCBDMN CO[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCOCC1 ZINC000842373476 617091077 /nfs/dbraw/zinc/09/10/77/617091077.db2.gz OJQWUIMBNUZAPJ-GMTAPVOTSA-N 0 1 273.285 0.636 20 5 CCBDMN C[C@@H](Cc1cnccn1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000893400340 625695598 /nfs/dbraw/zinc/69/55/98/625695598.db2.gz JWQUVQXETDZPPS-FXBDTBDDSA-N 0 1 251.242 0.616 20 5 CCBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H]1CO ZINC000934015563 625003475 /nfs/dbraw/zinc/00/34/75/625003475.db2.gz DBUZWTHOVNAUME-QWRGUYRKSA-N 0 1 282.296 0.401 20 5 CCBDMN O=C(CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976472224 625855353 /nfs/dbraw/zinc/85/53/53/625855353.db2.gz DWLWGEZDQORUIL-HMUNZLOLSA-N 0 1 293.323 0.025 20 5 CCBDMN CCCC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001009851756 630818692 /nfs/dbraw/zinc/81/86/92/630818692.db2.gz HORPIGRUDSVROS-NXEZZACHSA-N 0 1 269.301 0.123 20 5 CCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CCOCC1 ZINC000909394109 630823023 /nfs/dbraw/zinc/82/30/23/630823023.db2.gz DPOMFOXOXNVCKV-SZEHBUNVSA-N 0 1 271.269 0.579 20 5 CCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])COc1ccccc1 ZINC000840673520 631715194 /nfs/dbraw/zinc/71/51/94/631715194.db2.gz RCSTYQNQBXHUIG-VXGBXAGGSA-N 0 1 279.248 0.843 20 5 CCBDMN O=C(C=C1CCC1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990775905 633809118 /nfs/dbraw/zinc/80/91/18/633809118.db2.gz WKYLGIGHIKVASD-GHMZBOCLSA-N 0 1 279.296 0.089 20 5 CCBDMN O=C(NC1CN(C(=O)c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991280199 635834574 /nfs/dbraw/zinc/83/45/74/635834574.db2.gz NTZWQWVPFTTWJB-VXGBXAGGSA-N 0 1 289.291 0.292 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](N2CCC2)C1 ZINC000912912917 636700231 /nfs/dbraw/zinc/70/02/31/636700231.db2.gz FFPPCUNLVFXMQS-LLVKDONJSA-N 0 1 276.296 0.910 20 5 CCBDMN CC(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]2(C)C1 ZINC001010903704 650277998 /nfs/dbraw/zinc/27/79/98/650277998.db2.gz YEEDSCKJLLYJQL-OXHZDVMGSA-N 0 1 295.339 0.369 20 5 CCBDMN O=C(NCCCn1ccnc1[N+](=O)[O-])C(F)(F)F ZINC000918369092 638013502 /nfs/dbraw/zinc/01/35/02/638013502.db2.gz PQGFBSIFTCDJMJ-UHFFFAOYSA-N 0 1 266.179 0.860 20 5 CCBDMN O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC000943588209 638728030 /nfs/dbraw/zinc/72/80/30/638728030.db2.gz MRKKPHLXOIBTST-DDHJBXDOSA-N 0 1 295.339 0.605 20 5 CCBDMN O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)C3CC3)CC2)cn1 ZINC000735487299 638836901 /nfs/dbraw/zinc/83/69/01/638836901.db2.gz HXLRWSMYMAPELT-CYBMUJFWSA-N 0 1 292.339 0.883 20 5 CCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000997997341 638891669 /nfs/dbraw/zinc/89/16/69/638891669.db2.gz HPGLLHZNFQNVJN-ACJPCYBHSA-N 0 1 293.323 0.025 20 5 CCBDMN CC(C)(C)CC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001796387 639339903 /nfs/dbraw/zinc/33/99/03/639339903.db2.gz QKIUAMCOWRJBOU-GHMZBOCLSA-N 0 1 297.355 0.662 20 5 CCBDMN CCC(CC)C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001796271 639340475 /nfs/dbraw/zinc/34/04/75/639340475.db2.gz NWWFDOWPIJMSCB-VXGBXAGGSA-N 0 1 297.355 0.662 20 5 CCBDMN O=C(NCCOCC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839497085 640316988 /nfs/dbraw/zinc/31/69/88/640316988.db2.gz GXUXXPOEMBABGO-PHDIDXHHSA-N 0 1 256.180 0.347 20 5 CCBDMN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC1[N+](=O)[O-] ZINC000839693313 640349201 /nfs/dbraw/zinc/34/92/01/640349201.db2.gz UDSGSCQMNPXHFF-MWLCHTKSSA-N 0 1 279.252 0.919 20 5 CCBDMN O=C(NC[C@H](CCO)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839698901 640351152 /nfs/dbraw/zinc/35/11/52/640351152.db2.gz ILWNUVPJTCEZDK-YNEHKIRRSA-N 0 1 278.308 0.934 20 5 CCBDMN NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701456 640352013 /nfs/dbraw/zinc/35/20/13/640352013.db2.gz LJDUVKKIEJMGME-QCLAVDOMSA-N 0 1 269.301 0.202 20 5 CCBDMN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839694452 640352050 /nfs/dbraw/zinc/35/20/50/640352050.db2.gz WNLIDCFRIFVADH-UPZJHPNMSA-N 0 1 280.328 0.749 20 5 CCBDMN Cc1ccc(C[C@H](CO)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839732848 640354743 /nfs/dbraw/zinc/35/47/43/640354743.db2.gz GXXQFVZZBDZKPW-JHJVBQTASA-N 0 1 278.308 0.680 20 5 CCBDMN Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839684160 640355265 /nfs/dbraw/zinc/35/52/65/640355265.db2.gz HVHAWRJFFWZBIU-GGZOMVNGSA-N 0 1 276.296 0.944 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1[C@H]1CCCO1 ZINC000839762352 640359337 /nfs/dbraw/zinc/35/93/37/640359337.db2.gz VKIFSMDXKKTLNA-LMLFDSFASA-N 0 1 254.286 0.822 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000839772199 640363222 /nfs/dbraw/zinc/36/32/22/640363222.db2.gz ZJSWWNUPLGOOMR-HBNTYKKESA-N 0 1 281.312 0.123 20 5 CCBDMN O=C(NC[C@@H]1COc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839778994 640364986 /nfs/dbraw/zinc/36/49/86/640364986.db2.gz YSXYTKBZBRLCKS-FBIMIBRVSA-N 0 1 262.265 0.944 20 5 CCBDMN CS(=O)(=O)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818963022 641369150 /nfs/dbraw/zinc/36/91/50/641369150.db2.gz DIORDFBGDGQCDP-LLVKDONJSA-N 0 1 288.325 0.262 20 5 CCBDMN O=C(NCCc1nc2c(s1)CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000831081285 642312144 /nfs/dbraw/zinc/31/21/44/642312144.db2.gz NMCYDFWPSACYLJ-VXNVDRBHSA-N 0 1 281.337 0.956 20 5 CCBDMN O=C(OC[C@@H]1CCCNC1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000835985828 642680529 /nfs/dbraw/zinc/68/05/29/642680529.db2.gz DQUBXNYMWMPRSG-ZETCQYMHSA-N 0 1 267.241 0.606 20 5 CCBDMN O=C(OC[C@H]1CCCNC1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000835985825 642680610 /nfs/dbraw/zinc/68/06/10/642680610.db2.gz DQUBXNYMWMPRSG-SSDOTTSWSA-N 0 1 267.241 0.606 20 5 CCBDMN COc1ncc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)n1 ZINC000840673632 642786640 /nfs/dbraw/zinc/78/66/40/642786640.db2.gz WINZNLNRLYQQTN-RKDXNWHRSA-N 0 1 267.241 0.502 20 5 CCBDMN O=C(Oc1ccc2oc(=O)oc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000841219842 642808267 /nfs/dbraw/zinc/80/82/67/642808267.db2.gz RXFQWYZRIQUJHI-RNFRBKRXSA-N 0 1 265.177 0.957 20 5 CCBDMN O=C(OCc1ccnc(-n2cccn2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000842352515 642893688 /nfs/dbraw/zinc/89/36/88/642893688.db2.gz FAZKFJVZXQEBJV-GHMZBOCLSA-N 0 1 288.263 0.976 20 5 CCBDMN O=C(O[C@H]1CC(=O)NC2(CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842460104 642898506 /nfs/dbraw/zinc/89/85/06/642898506.db2.gz QAFLQFGWRVQTOY-DJLDLDEBSA-N 0 1 268.269 0.396 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C2(CCC2)CO1 ZINC000844921727 643255926 /nfs/dbraw/zinc/25/59/26/643255926.db2.gz SCLFSLKSUDVOCK-OPRDCNLKSA-N 0 1 254.286 0.822 20 5 CCBDMN Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000845035337 643261964 /nfs/dbraw/zinc/26/19/64/643261964.db2.gz ANFUJGGBPPNSHK-JFGNBEQYSA-N 0 1 291.307 0.544 20 5 CCBDMN Cn1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c([N+](=O)[O-])n1 ZINC000847786175 643555541 /nfs/dbraw/zinc/55/55/41/643555541.db2.gz PEYLFIWIZGXYQH-RNFRBKRXSA-N 0 1 270.201 0.037 20 5 CCBDMN O=C(NC[C@@H](CO)Cc1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC000847904363 643565886 /nfs/dbraw/zinc/56/58/86/643565886.db2.gz TUIOKGDGKBENIN-QJPTWQEYSA-N 0 1 279.296 0.014 20 5 CCBDMN O=C(NCCN1C[C@@H]2CCCCN2C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856140799 644393643 /nfs/dbraw/zinc/39/36/43/644393643.db2.gz FNVRWUISRQOKFA-HBNTYKKESA-N 0 1 296.327 0.058 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](O)CC12CCC2 ZINC000857291068 644495850 /nfs/dbraw/zinc/49/58/50/644495850.db2.gz SGHUBDRMUHMLBR-IVZWLZJFSA-N 0 1 254.286 0.558 20 5 CCBDMN O=C(OCC[C@@H]1CCCNC1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000861257537 644870788 /nfs/dbraw/zinc/87/07/88/644870788.db2.gz PRJNSLZRSRAEET-QMMMGPOBSA-N 0 1 281.268 0.996 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863758196 645124801 /nfs/dbraw/zinc/12/48/01/645124801.db2.gz KOHZNXTUPVCYHR-LDYMZIIASA-N 0 1 292.247 0.545 20 5 CCBDMN O=C(N[C@H](C1CC1)[C@@H]1CCCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000885490968 647857974 /nfs/dbraw/zinc/85/79/74/647857974.db2.gz OLOWQGKOLRUXMJ-DDHJBXDOSA-N 0 1 268.313 0.973 20 5 CCBDMN Cn1nc(C2CC2)cc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000885825875 647878851 /nfs/dbraw/zinc/87/88/51/647878851.db2.gz SIHYGXOXRHIIRI-MWLCHTKSSA-N 0 1 264.285 0.579 20 5 CCBDMN C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CCN1CCO ZINC000886147220 647908303 /nfs/dbraw/zinc/90/83/03/647908303.db2.gz MELCOJQNPNZBRT-NSHDSACASA-N 0 1 280.328 0.488 20 5 CCBDMN C[C@@]1([C@H]2CCCN(CC[N+](=O)[O-])C2)COC(=O)N1 ZINC000932016209 649042818 /nfs/dbraw/zinc/04/28/18/649042818.db2.gz JVGCFPDFCBFQQP-ONGXEEELSA-N 0 1 257.290 0.474 20 5 CCBDMN O=C1NCCN1CC1CCN(CC[N+](=O)[O-])CC1 ZINC000933576212 649126536 /nfs/dbraw/zinc/12/65/36/649126536.db2.gz JZWOUXHBZMUQHX-UHFFFAOYSA-N 0 1 256.306 0.000 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000935091268 649209869 /nfs/dbraw/zinc/20/98/69/649209869.db2.gz WGEALBIBBJUGTJ-NXEZZACHSA-N 0 1 295.343 0.651 20 5 CCBDMN COc1cc(N2C[C@@H]3[C@H](C2)OCCN3C)ncc1[N+](=O)[O-] ZINC001164664348 719387678 /nfs/dbraw/zinc/38/76/78/719387678.db2.gz BHLHAXWNEACCPP-PWSUYJOCSA-N 0 1 294.311 0.518 20 5 CCBDMN CN1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@@H]21 ZINC001164670676 719404560 /nfs/dbraw/zinc/40/45/60/719404560.db2.gz XJZXXLPTIRSGEF-UWVGGRQHSA-N 0 1 279.300 0.091 20 5 CCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC001164674320 719409275 /nfs/dbraw/zinc/40/92/75/719409275.db2.gz WGMOGIVTIAADIG-VXGBXAGGSA-N 0 1 294.311 0.056 20 5 CCBDMN CN1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@@H]21 ZINC001164670191 719430768 /nfs/dbraw/zinc/43/07/68/719430768.db2.gz NSDOTCAOAAQZRH-QWRGUYRKSA-N 0 1 279.300 0.091 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001120773091 798933567 /nfs/dbraw/zinc/93/35/67/798933567.db2.gz BNXXUKLHALVRHH-SNVBAGLBSA-N 0 1 293.327 0.461 20 5 CCBDMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCNC[C@@H]1CO ZINC001122123861 799149518 /nfs/dbraw/zinc/14/95/18/799149518.db2.gz CMENUCXCKFURAW-SECBINFHSA-N 0 1 283.259 0.140 20 5 CCBDMN Cc1noc([C@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001140325072 799904610 /nfs/dbraw/zinc/90/46/10/799904610.db2.gz GFAQOPWOUXBIKX-IWSPIJDZSA-N 0 1 266.257 0.707 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC([C@H](C)O)C2)c1[N+](=O)[O-] ZINC001152710532 800549863 /nfs/dbraw/zinc/54/98/63/800549863.db2.gz SDLCXBJEWVEBQR-LURJTMIESA-N 0 1 254.246 0.079 20 5 CCBDMN Nc1cc(NCc2noc3c2CNCC3)ncc1[N+](=O)[O-] ZINC001155497006 800991207 /nfs/dbraw/zinc/99/12/07/800991207.db2.gz ALFISWQLQTXSTH-UHFFFAOYSA-N 0 1 290.283 0.818 20 5 CCBDMN COc1nc(N[C@H]2CCN(C)C2)ncc1[N+](=O)[O-] ZINC001156575863 801189546 /nfs/dbraw/zinc/18/95/46/801189546.db2.gz NOHKNMGGYMHORI-ZETCQYMHSA-N 0 1 253.262 0.509 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCN(C)C1 ZINC001156575672 801189952 /nfs/dbraw/zinc/18/99/52/801189952.db2.gz KKVPRHPYXDFNTB-QMMMGPOBSA-N 0 1 280.284 0.892 20 5 CCBDMN O=[N+]([O-])c1cccc2ncnc(NC[C@H]3COCCN3)c21 ZINC001159046511 801750596 /nfs/dbraw/zinc/75/05/96/801750596.db2.gz KRDFOSAQWCIKBO-VIFPVBQESA-N 0 1 289.295 0.938 20 5 CCBDMN Cc1[nH]ncc1CN(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC001162890665 802432761 /nfs/dbraw/zinc/43/27/61/802432761.db2.gz UKYHDRFUJWYQTD-UHFFFAOYSA-N 0 1 278.272 0.632 20 5 CCBDMN Cc1nc(Cn2cc([N+](=O)[O-])cc(F)c2=O)n[nH]1 ZINC001166399312 802904910 /nfs/dbraw/zinc/90/49/10/802904910.db2.gz BIBAGBPDQHNFPG-UHFFFAOYSA-N 0 1 253.193 0.370 20 5 CCBDMN CC(=O)c1c[n-]c(=O)nc1O[C@H](C)C[N+](C)(C)C ZINC001226237363 805209490 /nfs/dbraw/zinc/20/94/90/805209490.db2.gz ITQRYIYAABJXKR-MRVPVSSYSA-O 0 1 254.310 0.858 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(OC[C@H]2COCO2)cc1O ZINC001228812545 805481392 /nfs/dbraw/zinc/48/13/92/805481392.db2.gz XQIZUGIIBYHYDY-SSDOTTSWSA-N 0 1 299.235 0.839 20 5 CCBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC001126801588 815112623 /nfs/dbraw/zinc/11/26/23/815112623.db2.gz XFRLUAUFTJBNDJ-UHFFFAOYSA-N 0 1 295.324 0.899 20 5 CCBDMN C[C@@H](CC[S@](C)=O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001253838313 808154334 /nfs/dbraw/zinc/15/43/34/808154334.db2.gz HBKJNMHRMBOUMQ-QQOXFEPMSA-N 0 1 274.302 0.205 20 5 CCBDMN C[N@H+]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@H](C(=O)[O-])C1 ZINC001261502857 809001193 /nfs/dbraw/zinc/00/11/93/809001193.db2.gz BGVPBDYLOPGWPP-SECBINFHSA-N 0 1 280.284 0.442 20 5 CCBDMN C[C@@H](c1nnc(N2CCN(CC3CC3)CC2)n1C)[N+](=O)[O-] ZINC001262863561 809418504 /nfs/dbraw/zinc/41/85/04/809418504.db2.gz JGBZVALIVLTYOZ-JTQLQIEISA-N 0 1 294.359 0.685 20 5 CCBDMN O=C(c1csc([N+](=O)[O-])c1)N1CCNC[C@H]1CO ZINC001263180060 809472133 /nfs/dbraw/zinc/47/21/33/809472133.db2.gz CLQVBDNGKHJCRY-QMMMGPOBSA-N 0 1 271.298 0.063 20 5 CCBDMN O=C(NCC1CN(Cc2ccccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661981 817228150 /nfs/dbraw/zinc/22/81/50/817228150.db2.gz PPNJSOSXNURVKW-CHWSQXEVSA-N 0 1 290.323 0.295 20 5 CCBDMN CCN(C(=O)CC1CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079192981 820327964 /nfs/dbraw/zinc/32/79/64/820327964.db2.gz JRFIYFXFKUYDMU-VXGBXAGGSA-N 0 1 295.339 0.511 20 5 CCBDMN CCOC(=O)c1nnc(CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)o1 ZINC001168967361 836088253 /nfs/dbraw/zinc/08/82/53/836088253.db2.gz OZAWFMGNWWPXTI-IUCAKERBSA-N 0 1 298.299 0.781 20 5 CCBDMN CN(C)C(=O)N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007695 836097264 /nfs/dbraw/zinc/09/72/64/836097264.db2.gz PKBNGFDWZWUAKD-NEPJUHHUSA-N 0 1 284.360 0.731 20 5 CCBDMN C[C@@H]1C(=O)N(C)CCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039496 836112228 /nfs/dbraw/zinc/11/22/28/836112228.db2.gz QDEWLUABYKSAHJ-MXWKQRLJSA-N 0 1 255.318 0.594 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])cc(NC[C@@H]2COCCN2)n1 ZINC001170035247 836753453 /nfs/dbraw/zinc/75/34/53/836753453.db2.gz KMEGWQKUYQYMDF-MRVPVSSYSA-N 0 1 296.283 0.177 20 5 CCBDMN COc1ccnc(NC[C@@H]2COCCN2)c1[N+](=O)[O-] ZINC001170036318 836754890 /nfs/dbraw/zinc/75/48/90/836754890.db2.gz XKCABYOKLPCDCU-MRVPVSSYSA-N 0 1 268.273 0.399 20 5 CCBDMN Cc1c(F)cnc(NC[C@@H]2COCCN2)c1[N+](=O)[O-] ZINC001170035793 836755899 /nfs/dbraw/zinc/75/58/99/836755899.db2.gz PKYDZERIZBJXTH-MRVPVSSYSA-N 0 1 270.264 0.838 20 5 CCBDMN O=[N+]([O-])c1cc(NC[C@@H]2COCCN2)cn2cnnc12 ZINC001170043405 836776008 /nfs/dbraw/zinc/77/60/08/836776008.db2.gz HIEMBYSMESWZKW-SECBINFHSA-N 0 1 278.272 0.038 20 5 CCBDMN C[C@H](C(=O)N(C)c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC001131169149 838012915 /nfs/dbraw/zinc/01/29/15/838012915.db2.gz BDWMALANDQCUOA-ZETCQYMHSA-N 0 1 276.256 0.874 20 5 CCBDMN CC[C@@](N)(CO)Nc1cc([N+](=O)[O-])c2nncn2c1 ZINC001170864263 839464311 /nfs/dbraw/zinc/46/43/11/839464311.db2.gz SLRPSAXDVSJJMH-JTQLQIEISA-N 0 1 266.261 0.107 20 5 CCBDMN CC[C@@](N)(CO)Nc1ccc([N+](=O)[O-])c(OC)n1 ZINC001159744670 839566622 /nfs/dbraw/zinc/56/66/22/839566622.db2.gz YPAXDPCIJDYUPZ-JTQLQIEISA-N 0 1 256.262 0.468 20 5 CCBDMN C[C@H]1CCCCN1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001144072154 839924961 /nfs/dbraw/zinc/92/49/61/839924961.db2.gz ZDFDKNVBSXNOJU-ZETCQYMHSA-N 0 1 253.262 0.837 20 5 CCBDMN CC(=O)N[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC001171332091 840805659 /nfs/dbraw/zinc/80/56/59/840805659.db2.gz MMXMYBMRTXDQGA-JTQLQIEISA-N 0 1 267.289 0.002 20 5 CCBDMN Cc1nc([C@@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC001186720658 844597343 /nfs/dbraw/zinc/59/73/43/844597343.db2.gz LJBOVXXEEMYQNH-MRVPVSSYSA-N 0 1 275.272 0.805 20 5 CCBDMN Cc1nnc([C@@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)[nH]1 ZINC001186720658 844597350 /nfs/dbraw/zinc/59/73/50/844597350.db2.gz LJBOVXXEEMYQNH-MRVPVSSYSA-N 0 1 275.272 0.805 20 5 CCBDMN C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C1=NN(C)CC1=O ZINC001179926749 843080065 /nfs/dbraw/zinc/08/00/65/843080065.db2.gz LRMXIAZAEGOMFU-LURJTMIESA-N 0 1 294.271 0.258 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2ccns2)C1 ZINC001042711553 850742522 /nfs/dbraw/zinc/74/25/22/850742522.db2.gz WLCADGWEMUHHMY-GHMZBOCLSA-N 0 1 296.352 0.451 20 5 CCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccns1 ZINC001480862831 891406841 /nfs/dbraw/zinc/40/68/41/891406841.db2.gz FQZKKTYYHXHUSN-NXEZZACHSA-N 0 1 284.341 0.356 20 5 CCBDMN C[C@@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001326025725 913704087 /nfs/dbraw/zinc/70/40/87/913704087.db2.gz REVBBALQYQFTJX-DJLDLDEBSA-N 0 1 272.301 0.888 20 5 CCBDMN Cc1nc([C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])nc2C)n[nH]1 ZINC001326475917 913977349 /nfs/dbraw/zinc/97/73/49/913977349.db2.gz VRQCXNRFKJPIMW-ZCFIWIBFSA-N 0 1 293.287 0.404 20 5 CCBDMN Cc1coc(C)c1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001282994141 904659258 /nfs/dbraw/zinc/65/92/58/904659258.db2.gz FILQBERWMZNZLV-NXEZZACHSA-N 0 1 295.295 0.408 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@]12CC[N@@H+](C1)CCC2 ZINC001288003315 905998637 /nfs/dbraw/zinc/99/86/37/905998637.db2.gz MDTIRZWSPKVCKZ-ZDUSSCGKSA-N 0 1 293.327 0.454 20 5 CCBDMN C/C=C(\C)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001290036311 906107548 /nfs/dbraw/zinc/10/75/48/906107548.db2.gz IGNATRJSPVOZEY-RBNGWJLCSA-N 0 1 295.339 0.629 20 5 CCBDMN CC(C)(CCC(=O)N1CCC[C@@H](c2nn[nH]n2)C1)[N+](=O)[O-] ZINC001295412526 906717749 /nfs/dbraw/zinc/71/77/49/906717749.db2.gz ZOCCFLAQXAHYNE-SECBINFHSA-N 0 1 296.331 0.741 20 5 CCBDMN CC(C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])=C1CCC1 ZINC001296058213 906858895 /nfs/dbraw/zinc/85/88/95/906858895.db2.gz SBJKWMAGLLMKNN-VXGBXAGGSA-N 0 1 295.339 0.727 20 5 CCBDMN CC(C)CN(Cc1nn[nH]n1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001303199499 908063907 /nfs/dbraw/zinc/06/39/07/908063907.db2.gz ILUHRMPTNVLJFS-UHFFFAOYSA-N 0 1 293.287 0.734 20 5 CCBDMN O=C(NC1(c2ncon2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001304124032 908145912 /nfs/dbraw/zinc/14/59/12/908145912.db2.gz RZFZHNGYBCFILN-UHFFFAOYSA-N 0 1 264.201 0.120 20 5 CCBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C1=NN(C)CC1=O ZINC001304543258 908170847 /nfs/dbraw/zinc/17/08/47/908170847.db2.gz DFOVDSHTRKDERN-SSDOTTSWSA-N 0 1 293.283 0.863 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1Cc1nc([C@H]2CCCN2)no1 ZINC001332326467 918055682 /nfs/dbraw/zinc/05/56/82/918055682.db2.gz YCWDGUYZIJBNCK-SECBINFHSA-N 0 1 291.267 0.612 20 5 CCBDMN O=[N+]([O-])c1cnc(NCc2n[nH]c([C@H]3CCCO3)n2)nc1 ZINC001332986315 918582375 /nfs/dbraw/zinc/58/23/75/918582375.db2.gz XZOLRELLYGUMOX-MRVPVSSYSA-N 0 1 291.271 0.967 20 5 CCBDMN NC1(c2noc(Cn3cc([N+](=O)[O-])ccc3=O)n2)CCC1 ZINC001345932176 924015954 /nfs/dbraw/zinc/01/59/54/924015954.db2.gz VTAJORFKEVDCAV-UHFFFAOYSA-N 0 1 291.267 0.526 20 5 CCBDMN C[N@H+]1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H](C(=O)[O-])C1 ZINC001346114450 924077656 /nfs/dbraw/zinc/07/76/56/924077656.db2.gz XRRNRRSXIZPYHF-ZETCQYMHSA-N 0 1 286.313 0.504 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@H]1CCn1ccnn1 ZINC001348548449 924723451 /nfs/dbraw/zinc/72/34/51/924723451.db2.gz XISAHAXYVGMTBC-QJPTWQEYSA-N 0 1 293.327 0.715 20 5 CCBDMN O=C(NC1(CNC(=O)C2CC=CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001358654451 926778032 /nfs/dbraw/zinc/77/80/32/926778032.db2.gz QPCRLJJDINYZRI-GHMZBOCLSA-N 0 1 293.323 0.383 20 5 CCBDMN CC[C@H](NC(=O)CNC(=O)CN)c1cccc([N+](=O)[O-])c1 ZINC000125106565 187170164 /nfs/dbraw/zinc/17/01/64/187170164.db2.gz VQYPNSMRXSOTNG-NSHDSACASA-N 0 1 294.311 0.237 20 5 CCBDMN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])cn2C)[nH]1 ZINC000112702888 349788606 /nfs/dbraw/zinc/78/86/06/349788606.db2.gz BTYPYBQRMJTTLD-UHFFFAOYSA-N 0 1 250.218 0.612 20 5 CCBDMN Cc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])cn2C)n1 ZINC000112702888 349788607 /nfs/dbraw/zinc/78/86/07/349788607.db2.gz BTYPYBQRMJTTLD-UHFFFAOYSA-N 0 1 250.218 0.612 20 5 CCBDMN CNC(=O)C[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000456500466 529872170 /nfs/dbraw/zinc/87/21/70/529872170.db2.gz HTLRDJHQJFUHNP-ZETCQYMHSA-N 0 1 281.268 0.555 20 5 CCBDMN CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000117982857 349895073 /nfs/dbraw/zinc/89/50/73/349895073.db2.gz DUJUOIIOTDQJOS-UHFFFAOYSA-N 0 1 268.273 0.377 20 5 CCBDMN CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000117982857 349895076 /nfs/dbraw/zinc/89/50/76/349895076.db2.gz DUJUOIIOTDQJOS-UHFFFAOYSA-N 0 1 268.273 0.377 20 5 CCBDMN CC1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])COC1 ZINC000601504615 362292492 /nfs/dbraw/zinc/29/24/92/362292492.db2.gz MVVJIGKUXUPJJO-UHFFFAOYSA-N 0 1 290.272 0.801 20 5 CCBDMN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000602722075 362770596 /nfs/dbraw/zinc/77/05/96/362770596.db2.gz LVSPQUKBBUJONB-SKDRFNHKSA-N 0 1 268.317 0.779 20 5 CCBDMN C[C@@H]1OCC[C@]1(C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602824112 362819887 /nfs/dbraw/zinc/81/98/87/362819887.db2.gz WQGOBBQTWMCSPK-KWQFWETISA-N 0 1 254.290 0.985 20 5 CCBDMN C[C@@H](O)CN1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@H](C)C1 ZINC000602813349 362814434 /nfs/dbraw/zinc/81/44/34/362814434.db2.gz XVKMVUUHOQTJQN-GHMZBOCLSA-N 0 1 297.359 0.215 20 5 CCBDMN CCN(CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000602830966 362823402 /nfs/dbraw/zinc/82/34/02/362823402.db2.gz YCLSRKJJQCJMQY-SNVBAGLBSA-N 0 1 281.316 0.310 20 5 CCBDMN CC(C)c1nncn1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343722007 137152490 /nfs/dbraw/zinc/15/24/90/137152490.db2.gz LFNAWVNYCKDPEG-UHFFFAOYSA-N 0 1 293.287 0.463 20 5 CCBDMN COc1cccc(C(=O)NCc2nn[nH]n2)c1[N+](=O)[O-] ZINC000618211690 365934895 /nfs/dbraw/zinc/93/48/95/365934895.db2.gz PPWHIELRVFXOGM-UHFFFAOYSA-N 0 1 278.228 0.047 20 5 CCBDMN COc1cc(CN2C[C@@H](O)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602896102 362871149 /nfs/dbraw/zinc/87/11/49/362871149.db2.gz CPBVBMGSNGUFQV-FZMZJTMJSA-N 0 1 296.323 0.921 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCCN(C)CC1 ZINC000602951188 362906664 /nfs/dbraw/zinc/90/66/64/362906664.db2.gz HWDGNWZBAKCAEZ-UHFFFAOYSA-N 0 1 293.327 0.890 20 5 CCBDMN COC(=O)[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000066144562 348734807 /nfs/dbraw/zinc/73/48/07/348734807.db2.gz BJZHYNNTPFVWMF-QMMMGPOBSA-N 0 1 296.283 0.652 20 5 CCBDMN CC(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000066728115 348754775 /nfs/dbraw/zinc/75/47/75/348754775.db2.gz VPIOBCRRCFSIFY-GHMZBOCLSA-N 0 1 297.355 0.759 20 5 CCBDMN CCOC(=O)C[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154992970 350606282 /nfs/dbraw/zinc/60/62/82/350606282.db2.gz BTGNFPFSJIXWKL-ZCFIWIBFSA-N 0 1 270.245 0.389 20 5 CCBDMN CCCc1n[nH]c(C(=O)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000110037644 186283334 /nfs/dbraw/zinc/28/33/34/186283334.db2.gz VHWOZLINKOXODO-UHFFFAOYSA-N 0 1 281.316 0.658 20 5 CCBDMN CC(C)(CCCO)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000271400981 191117476 /nfs/dbraw/zinc/11/74/76/191117476.db2.gz MOFRLOOPTGTBOA-UHFFFAOYSA-N 0 1 270.289 0.846 20 5 CCBDMN CO[C@H]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000188300194 351585180 /nfs/dbraw/zinc/58/51/80/351585180.db2.gz ODKNBESNGBZCCT-BQBZGAKWSA-N 0 1 254.246 0.615 20 5 CCBDMN Cc1cc(C(=O)N2CCN[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000188368791 351589524 /nfs/dbraw/zinc/58/95/24/351589524.db2.gz MJPBGDDLIHGMBQ-SECBINFHSA-N 0 1 278.312 0.919 20 5 CCBDMN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000188390733 351591589 /nfs/dbraw/zinc/59/15/89/351591589.db2.gz JRXKYQKHGOVLRC-SNVBAGLBSA-N 0 1 279.296 0.794 20 5 CCBDMN O=C(N[C@@H]1CCC[C@@H]1CCO)c1n[nH]cc1[N+](=O)[O-] ZINC000187914088 351562463 /nfs/dbraw/zinc/56/24/63/351562463.db2.gz OZDBRCXNKNFKAM-HTQZYQBOSA-N 0 1 268.273 0.599 20 5 CCBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)c1[nH]nc2c1CCC2 ZINC000122230216 187022164 /nfs/dbraw/zinc/02/21/64/187022164.db2.gz OEMWQQAEORPEHT-UHFFFAOYSA-N 0 1 290.283 0.433 20 5 CCBDMN CC[N@@H+](C)CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000233429196 352149971 /nfs/dbraw/zinc/14/99/71/352149971.db2.gz DZMNOMXSUGQUHG-UHFFFAOYSA-N 0 1 267.285 0.982 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C)C1 ZINC000237640314 352276768 /nfs/dbraw/zinc/27/67/68/352276768.db2.gz CBKHDEYRYHAMNU-QMMMGPOBSA-N 0 1 264.285 0.732 20 5 CCBDMN C[C@@](O)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F ZINC000270877408 352998487 /nfs/dbraw/zinc/99/84/87/352998487.db2.gz XNCDDUCLDXRRIT-SSDOTTSWSA-N 0 1 282.178 0.361 20 5 CCBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000270940285 353006343 /nfs/dbraw/zinc/00/63/43/353006343.db2.gz YMGTVKARSWQOCI-FBCQKBJTSA-N 0 1 296.205 0.750 20 5 CCBDMN O=C(N[C@@H]1CCC[C@H]1O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272666077 353083914 /nfs/dbraw/zinc/08/39/14/353083914.db2.gz IWOLYDZAQXXTLR-GHMZBOCLSA-N 0 1 266.253 0.944 20 5 CCBDMN CNC(=O)C1CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000274553505 353140212 /nfs/dbraw/zinc/14/02/12/353140212.db2.gz YBQOZRDRTYXOKO-UHFFFAOYSA-N 0 1 263.297 0.815 20 5 CCBDMN CN(CC(C)(CO)CO)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274856911 353168067 /nfs/dbraw/zinc/16/80/67/353168067.db2.gz WSJMDWDGEKRLQY-UHFFFAOYSA-N 0 1 298.295 0.363 20 5 CCBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN1C1CC1 ZINC000279920193 353324845 /nfs/dbraw/zinc/32/48/45/353324845.db2.gz QENWBDNYEVXJPK-LBPRGKRZSA-N 0 1 293.327 0.534 20 5 CCBDMN CN(CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000282498747 353429347 /nfs/dbraw/zinc/42/93/47/353429347.db2.gz QRQQZCDTLDCLIH-GFCCVEGCSA-N 0 1 263.297 0.958 20 5 CCBDMN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1nn[nH]n1 ZINC000287364916 353641282 /nfs/dbraw/zinc/64/12/82/353641282.db2.gz HMEIUHGDHOLRRY-RXMQYKEDSA-N 0 1 280.248 0.102 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2nc[nH]n2)n1 ZINC000287751448 353665170 /nfs/dbraw/zinc/66/51/70/353665170.db2.gz GTLSEJDUWOXAMG-UHFFFAOYSA-N 0 1 292.255 0.549 20 5 CCBDMN C[C@@]1(F)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000295519977 353900562 /nfs/dbraw/zinc/90/05/62/353900562.db2.gz UPRJESNJZFWHQR-NWDGAFQWSA-N 0 1 286.307 0.976 20 5 CCBDMN C[C@]1(F)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000295519965 353900729 /nfs/dbraw/zinc/90/07/29/353900729.db2.gz UPRJESNJZFWHQR-NEPJUHHUSA-N 0 1 286.307 0.976 20 5 CCBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000305239249 354140890 /nfs/dbraw/zinc/14/08/90/354140890.db2.gz PRTTYNVIBWBNKX-CYBMUJFWSA-N 0 1 293.323 0.896 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1C[C@H](O)C[C@@H]1CO ZINC000330453459 354365556 /nfs/dbraw/zinc/36/55/56/354365556.db2.gz LKKKLZHMVPPSDM-MWLCHTKSSA-N 0 1 268.269 0.228 20 5 CCBDMN C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330466927 354369985 /nfs/dbraw/zinc/36/99/85/354369985.db2.gz XFKWCUXWCRUMPJ-PRHODGIISA-N 0 1 279.296 0.915 20 5 CCBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000531888854 358487404 /nfs/dbraw/zinc/48/74/04/358487404.db2.gz UUKHWYUEIYQTTP-VIFPVBQESA-N 0 1 276.296 0.956 20 5 CCBDMN CN(CCc1ccccc1[N+](=O)[O-])[C@H]1COC[C@@H]1O ZINC000361378106 138033348 /nfs/dbraw/zinc/03/33/48/138033348.db2.gz QIOJULHMKFGUSL-STQMWFEESA-N 0 1 266.297 0.829 20 5 CCBDMN COCCN1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000273676499 192257046 /nfs/dbraw/zinc/25/70/46/192257046.db2.gz YIZJPALMORMXIC-SECBINFHSA-N 0 1 267.289 0.517 20 5 CCBDMN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1F)c1nn[nH]n1 ZINC000354773562 356494843 /nfs/dbraw/zinc/49/48/43/356494843.db2.gz NMEGXZGGBSTBJR-UHFFFAOYSA-N 0 1 294.246 0.912 20 5 CCBDMN COCCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000609269386 363486967 /nfs/dbraw/zinc/48/69/67/363486967.db2.gz OTTBPHCWIPERFQ-JTQLQIEISA-N 0 1 296.327 0.764 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609531946 363502626 /nfs/dbraw/zinc/50/26/26/363502626.db2.gz CFHRCRLRCUJGSY-UHFFFAOYSA-N 0 1 288.223 0.784 20 5 CCBDMN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cn1)c1nn[nH]n1 ZINC000532398514 358510339 /nfs/dbraw/zinc/51/03/39/358510339.db2.gz CWDAOZOKGCRDFJ-UHFFFAOYSA-N 0 1 277.244 0.168 20 5 CCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)NCCN1CCCCC1 ZINC000356144176 356710781 /nfs/dbraw/zinc/71/07/81/356710781.db2.gz MGNNLDPZHFCKOY-UHFFFAOYSA-N 0 1 281.316 0.544 20 5 CCBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCn1ccc([N+](=O)[O-])n1 ZINC000364962147 357133546 /nfs/dbraw/zinc/13/35/46/357133546.db2.gz SCTNWFRFLRMNAH-FOGDFJRCSA-N 0 1 293.327 0.377 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000375435359 357407774 /nfs/dbraw/zinc/40/77/74/357407774.db2.gz HKNXGFDNOCHUOS-KOLCDFICSA-N 0 1 266.301 0.985 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](O)CC2)c1[N+](=O)[O-] ZINC000294853751 199214020 /nfs/dbraw/zinc/21/40/20/199214020.db2.gz NQAAJXADQKWZTJ-MRVPVSSYSA-N 0 1 282.300 0.867 20 5 CCBDMN [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000579950792 359065785 /nfs/dbraw/zinc/06/57/85/359065785.db2.gz UUIUZUHWMNCYKM-BDAKNGLRSA-N 0 1 294.311 0.943 20 5 CCBDMN CCN1CCN(c2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000611084551 363657351 /nfs/dbraw/zinc/65/73/51/363657351.db2.gz DCTUXHFRRRCVBQ-SECBINFHSA-N 0 1 253.306 0.859 20 5 CCBDMN CCN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000611088112 363657677 /nfs/dbraw/zinc/65/76/77/363657677.db2.gz DAYZSLRHYPPPKJ-SNVBAGLBSA-N 0 1 281.316 0.344 20 5 CCBDMN C[NH+]1CC2(C1)CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C2 ZINC000590337571 359441286 /nfs/dbraw/zinc/44/12/86/359441286.db2.gz JNCMGNMAPUWPGN-UHFFFAOYSA-N 0 1 292.295 0.473 20 5 CCBDMN O=[N+]([O-])c1cc2c(nc1NCc1nn[nH]n1)CCCC2 ZINC000591912810 359690936 /nfs/dbraw/zinc/69/09/36/359690936.db2.gz STZQBNOFEZMFRX-UHFFFAOYSA-N 0 1 275.272 0.994 20 5 CCBDMN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592381657 359829862 /nfs/dbraw/zinc/82/98/62/359829862.db2.gz ONBGQTWDNCUDNB-SSDOTTSWSA-N 0 1 274.302 0.005 20 5 CCBDMN CC(C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000592876071 359968531 /nfs/dbraw/zinc/96/85/31/359968531.db2.gz WBXMCBVIDYVQFW-LBPRGKRZSA-N 0 1 298.299 0.225 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H](O)[C@@H](CO)C1 ZINC000593037344 360018951 /nfs/dbraw/zinc/01/89/51/360018951.db2.gz XARVBEFXHRFKHP-ZWNOBZJWSA-N 0 1 282.296 0.476 20 5 CCBDMN NC(=O)C1(O)CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593031544 360019124 /nfs/dbraw/zinc/01/91/24/360019124.db2.gz ZYRFSVMRCGGJPM-UHFFFAOYSA-N 0 1 295.295 0.113 20 5 CCBDMN O=[N+]([O-])c1cnccc1N1CCN(Cc2nnc[nH]2)CC1 ZINC000593508982 360103015 /nfs/dbraw/zinc/10/30/15/360103015.db2.gz XWMAYDNRVZRJSA-UHFFFAOYSA-N 0 1 289.299 0.430 20 5 CCBDMN O=[N+]([O-])c1ccc(CN2CC(N3CC[C@@H](O)C3)C2)c(F)c1 ZINC000593680418 360133968 /nfs/dbraw/zinc/13/39/68/360133968.db2.gz VLBVMRJLZRCNDJ-CYBMUJFWSA-N 0 1 295.314 0.985 20 5 CCBDMN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000176746379 189007033 /nfs/dbraw/zinc/00/70/33/189007033.db2.gz JUOIQTHBAKTXFV-MRVPVSSYSA-N 0 1 291.267 0.969 20 5 CCBDMN COCC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000594397673 360292267 /nfs/dbraw/zinc/29/22/67/360292267.db2.gz LDYSPLZVEQHWRA-UHFFFAOYSA-N 0 1 254.246 0.474 20 5 CCBDMN C[C@@H](CCO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756896 360376964 /nfs/dbraw/zinc/37/69/64/360376964.db2.gz DFBKJVSJWGYAIP-ZETCQYMHSA-N 0 1 275.286 0.039 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1=CCCOC1 ZINC000594779801 360381495 /nfs/dbraw/zinc/38/14/95/360381495.db2.gz RZHPSKVFRKEBJU-UHFFFAOYSA-N 0 1 299.308 0.615 20 5 CCBDMN CC[C@@H](O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594785439 360383242 /nfs/dbraw/zinc/38/32/42/360383242.db2.gz ORSRVXCREYZNFN-SSDOTTSWSA-N 0 1 275.286 0.039 20 5 CCBDMN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cscn1 ZINC000595667608 360615032 /nfs/dbraw/zinc/61/50/32/360615032.db2.gz HOFFAMVQPJLTLH-WCBMZHEXSA-N 0 1 297.340 0.960 20 5 CCBDMN CN(CC(C)(C)[NH3+])C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000595935033 360712058 /nfs/dbraw/zinc/71/20/58/360712058.db2.gz QTBCTNFGXVYDQX-UHFFFAOYSA-N 0 1 268.273 0.505 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC12COC2 ZINC000597731287 361215070 /nfs/dbraw/zinc/21/50/70/361215070.db2.gz UAKBVWYFOOWTEZ-UHFFFAOYSA-N 0 1 264.237 0.915 20 5 CCBDMN O=C(N[C@H]1C[C@H](O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598528388 361438662 /nfs/dbraw/zinc/43/86/62/361438662.db2.gz SKBJAHJJWFXOMP-GVJMRKKJSA-N 0 1 252.226 0.554 20 5 CCBDMN CC(C)[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598574767 361447723 /nfs/dbraw/zinc/44/77/23/361447723.db2.gz UAHGBUVTNUEKAD-JTQLQIEISA-N 0 1 294.311 0.765 20 5 CCBDMN CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000598774321 361513089 /nfs/dbraw/zinc/51/30/89/361513089.db2.gz FVPHFVPDNOBPAJ-VIFPVBQESA-N 0 1 294.311 0.910 20 5 CCBDMN CCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000598774321 361513094 /nfs/dbraw/zinc/51/30/94/361513094.db2.gz FVPHFVPDNOBPAJ-VIFPVBQESA-N 0 1 294.311 0.910 20 5 CCBDMN CCOCCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599204556 361611626 /nfs/dbraw/zinc/61/16/26/361611626.db2.gz DBPVXYBKVJQMAI-UHFFFAOYSA-N 0 1 292.317 0.033 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1NCCN1CC[C@@H](O)C1 ZINC000599175517 361598287 /nfs/dbraw/zinc/59/82/87/361598287.db2.gz DTVDTLFJFWHXPQ-LLVKDONJSA-N 0 1 266.301 0.199 20 5 CCBDMN CSC[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599238241 361618403 /nfs/dbraw/zinc/61/84/03/361618403.db2.gz PBSQPWAIVQMXRT-ZCFIWIBFSA-N 0 1 294.358 0.358 20 5 CCBDMN CO[C@@H]1CCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000342548270 216392612 /nfs/dbraw/zinc/39/26/12/216392612.db2.gz SKNABWBNUVMMKC-IONNQARKSA-N 0 1 268.273 0.863 20 5 CCBDMN CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)[O-] ZINC000565103404 291345195 /nfs/dbraw/zinc/34/51/95/291345195.db2.gz GDVLJFHSRPGXBH-UHFFFAOYSA-N 0 1 270.289 0.834 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CC2(CO)CC2)c1[N+](=O)[O-] ZINC000275887663 193157015 /nfs/dbraw/zinc/15/70/15/193157015.db2.gz QFZYAXSNWCAKFT-UHFFFAOYSA-N 0 1 268.273 0.471 20 5 CCBDMN CNC(=O)[C@H]1CCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000330591937 203012414 /nfs/dbraw/zinc/01/24/14/203012414.db2.gz XZYWEESEDPPSSM-DTWKUNHWSA-N 0 1 281.316 0.333 20 5 CCBDMN COC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CCO1 ZINC000330910843 203381439 /nfs/dbraw/zinc/38/14/39/203381439.db2.gz PVNZMAVIEOVADS-QMMMGPOBSA-N 0 1 284.272 0.114 20 5 CCBDMN O=C(NOC[C@@H]1CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000276457116 193338462 /nfs/dbraw/zinc/33/84/62/193338462.db2.gz NGKLRYNCHOYZGS-MRVPVSSYSA-N 0 1 282.252 0.998 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CC2(CO)CC2)c1[N+](=O)[O-] ZINC000277879415 193785088 /nfs/dbraw/zinc/78/50/88/193785088.db2.gz DRXIUZFLNRQPQN-UHFFFAOYSA-N 0 1 282.300 0.725 20 5 CCBDMN CC(=O)NCCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000569226242 291660794 /nfs/dbraw/zinc/66/07/94/291660794.db2.gz TVXWSTMYTQDRBJ-UHFFFAOYSA-N 0 1 281.268 0.509 20 5 CCBDMN C[NH2+]CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000122958019 284689788 /nfs/dbraw/zinc/68/97/88/284689788.db2.gz QFKMXLIJGNOKCX-UHFFFAOYSA-N 0 1 279.343 0.544 20 5 CCBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])OC1CCCCC1 ZINC000130400133 389205407 /nfs/dbraw/zinc/20/54/07/389205407.db2.gz UJXXWBFDDVFNLF-UHFFFAOYSA-N 0 1 296.283 0.924 20 5 CCBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cnn[nH]1 ZINC000133294789 389233672 /nfs/dbraw/zinc/23/36/72/389233672.db2.gz KGVRKHVUSVXZOJ-UHFFFAOYSA-N 0 1 261.241 0.685 20 5 CCBDMN COc1ccc(CN[C@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000264347534 389322747 /nfs/dbraw/zinc/32/27/47/389322747.db2.gz PBVQUNWQCWGVNQ-JTQLQIEISA-N 0 1 279.296 0.924 20 5 CCBDMN C[N@H+]1CC[C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160090431 389379729 /nfs/dbraw/zinc/37/97/29/389379729.db2.gz NQGWEENAXUOHFW-VIFPVBQESA-N 0 1 279.296 0.982 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000269490680 389422168 /nfs/dbraw/zinc/42/21/68/389422168.db2.gz XSVMAIIDZSGLSX-SSDOTTSWSA-N 0 1 295.299 0.389 20 5 CCBDMN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1nnc[nH]1 ZINC000175932255 389550675 /nfs/dbraw/zinc/55/06/75/389550675.db2.gz CMYQBUBLEPFJRH-LURJTMIESA-N 0 1 276.256 0.786 20 5 CCBDMN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)N1 ZINC000179151745 389641601 /nfs/dbraw/zinc/64/16/01/389641601.db2.gz OQBDCBLUXUVQDH-DTORHVGOSA-N 0 1 267.289 0.000 20 5 CCBDMN C[C@H](N=c1[nH]c2ccccc2cc1[N+](=O)[O-])C(N)=O ZINC000352356603 389796570 /nfs/dbraw/zinc/79/65/70/389796570.db2.gz MOZAQFQSKJEMLH-ZETCQYMHSA-N 0 1 260.253 0.851 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC(OC(F)F)C2)c1[N+](=O)[O-] ZINC000437567231 389994178 /nfs/dbraw/zinc/99/41/78/389994178.db2.gz HZHYGKHLMRPEPF-UHFFFAOYSA-N 0 1 276.199 0.690 20 5 CCBDMN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420440202 390004249 /nfs/dbraw/zinc/00/42/49/390004249.db2.gz NHFXFKACBYLZRS-WDSKDSINSA-N 0 1 279.343 0.670 20 5 CCBDMN CCc1nc(NC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000479077844 390081157 /nfs/dbraw/zinc/08/11/57/390081157.db2.gz HISFUMNKZCEYSG-UHFFFAOYSA-N 0 1 265.233 0.111 20 5 CCBDMN CCc1n[nH]c(NC(=O)Cn2ccc([N+](=O)[O-])n2)n1 ZINC000479077844 390081158 /nfs/dbraw/zinc/08/11/58/390081158.db2.gz HISFUMNKZCEYSG-UHFFFAOYSA-N 0 1 265.233 0.111 20 5 CCBDMN CCc1n[nH]c(NC(=O)c2c([N+](=O)[O-])cnn2C)n1 ZINC000479171440 390081351 /nfs/dbraw/zinc/08/13/51/390081351.db2.gz XCGDPLSNJQMVMX-UHFFFAOYSA-N 0 1 265.233 0.261 20 5 CCBDMN CCc1nc(NC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC000479171440 390081352 /nfs/dbraw/zinc/08/13/52/390081352.db2.gz XCGDPLSNJQMVMX-UHFFFAOYSA-N 0 1 265.233 0.261 20 5 CCBDMN Cc1nc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)n[nH]1 ZINC000488244963 390092261 /nfs/dbraw/zinc/09/22/61/390092261.db2.gz DYLHDTFGKJYYBQ-UHFFFAOYSA-N 0 1 269.648 0.885 20 5 CCBDMN C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN1CCO ZINC000490045436 390103818 /nfs/dbraw/zinc/10/38/18/390103818.db2.gz AZNZGADAAGKFCP-JTQLQIEISA-N 0 1 266.301 0.493 20 5 CCBDMN O=C(Nc1nc(C2CCC2)n[nH]1)c1c[nH]nc1[N+](=O)[O-] ZINC000579027737 390137181 /nfs/dbraw/zinc/13/71/81/390137181.db2.gz VIPYOFXQYHJIHM-UHFFFAOYSA-N 0 1 277.244 0.956 20 5 CCBDMN Cc1cc(N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000517572619 390490057 /nfs/dbraw/zinc/49/00/57/390490057.db2.gz PIUMQGCNSCQYDQ-SNVBAGLBSA-N 0 1 294.311 0.751 20 5 CCBDMN CN(C)CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521037257 390593432 /nfs/dbraw/zinc/59/34/32/390593432.db2.gz IZAAGLXZFPVECA-UHFFFAOYSA-N 0 1 267.285 0.651 20 5 CCBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3c[nH]nn3)CC2)cn1 ZINC000570913373 390723866 /nfs/dbraw/zinc/72/38/66/390723866.db2.gz ZUGCZYRZCXPDPE-UHFFFAOYSA-N 0 1 289.299 0.430 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000341815226 130053481 /nfs/dbraw/zinc/05/34/81/130053481.db2.gz FQXOBDFXPQKIJX-JGVFFNPUSA-N 0 1 268.273 0.612 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCN1 ZINC000262227973 131203450 /nfs/dbraw/zinc/20/34/50/131203450.db2.gz PXWFJHGLVBVNGO-MRVPVSSYSA-N 0 1 264.285 0.611 20 5 CCBDMN CS(=O)(=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269191532 132128212 /nfs/dbraw/zinc/12/82/12/132128212.db2.gz OJYYEMKSGXWHRW-UHFFFAOYSA-N 0 1 288.281 0.075 20 5 CCBDMN C[C@@H]1[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000356907748 144043109 /nfs/dbraw/zinc/04/31/09/144043109.db2.gz UMILWWBQVKGMPK-NXEZZACHSA-N 0 1 281.316 0.342 20 5 CCBDMN O=C(NCCN1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548082331 286003546 /nfs/dbraw/zinc/00/35/46/286003546.db2.gz VBVGYHRCJBFGGS-UHFFFAOYSA-N 0 1 267.289 0.534 20 5 CCBDMN C[C@@H](CN(C)C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000286714683 286819230 /nfs/dbraw/zinc/81/92/30/286819230.db2.gz MZRVFVNEHZAVIU-VIFPVBQESA-N 0 1 287.341 0.823 20 5 CCBDMN O=[N+]([O-])c1ccc(OCCN2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000576189402 335166839 /nfs/dbraw/zinc/16/68/39/335166839.db2.gz DMBNREKGYKDJMI-RISCZKNCSA-N 0 1 296.323 0.649 20 5 CCBDMN CC(C)([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000580832591 335972556 /nfs/dbraw/zinc/97/25/56/335972556.db2.gz NVIKNMRDDDLGAN-UHFFFAOYSA-N 0 1 254.246 0.163 20 5 CCBDMN C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)CN1CCO ZINC000418995656 533978785 /nfs/dbraw/zinc/97/87/85/533978785.db2.gz DEAOATWSWVELLQ-QWRGUYRKSA-N 0 1 280.328 0.881 20 5 CCBDMN CCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000183693796 521623447 /nfs/dbraw/zinc/62/34/47/521623447.db2.gz MIWJVDZVRXSGBG-SECBINFHSA-N 0 1 293.327 0.786 20 5 CCBDMN CCc1nnc(C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]1 ZINC000365136938 522246574 /nfs/dbraw/zinc/24/65/74/522246574.db2.gz OHXLRMRTCAFYOO-NXEZZACHSA-N 0 1 293.327 0.738 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CN(C)CCN1C ZINC000068806422 525576803 /nfs/dbraw/zinc/57/68/03/525576803.db2.gz QPGTWRJYIIUEHB-LBPRGKRZSA-N 0 1 279.344 0.956 20 5 CCBDMN CCN(C)C(=O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369695324 535717293 /nfs/dbraw/zinc/71/72/93/535717293.db2.gz WKNWTXMSRHIWCT-UHFFFAOYSA-N 0 1 295.343 0.907 20 5 CCBDMN CC[C@H](O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000344367012 535993113 /nfs/dbraw/zinc/99/31/13/535993113.db2.gz CSLJLMGVTLJHLL-QMMMGPOBSA-N 0 1 278.268 0.972 20 5 CCBDMN O=C(Nc1c[nH]nn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000789927999 581164936 /nfs/dbraw/zinc/16/49/36/581164936.db2.gz VOZGPJIZFYCBTH-UHFFFAOYSA-N 0 1 278.184 0.873 20 5 CCBDMN C[C@@H]1CN(C)C(=O)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000783728412 581357352 /nfs/dbraw/zinc/35/73/52/581357352.db2.gz HPNOQWCKDWDRMK-SECBINFHSA-N 0 1 279.296 0.963 20 5 CCBDMN COCC(COC)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000766439668 581566294 /nfs/dbraw/zinc/56/62/94/581566294.db2.gz PDRSIGUWNMEXMB-UHFFFAOYSA-N 0 1 258.230 0.741 20 5 CCBDMN O=[N+]([O-])c1cnn(CN2CCN(C3CCC3)CC2)c1 ZINC000733296949 581899402 /nfs/dbraw/zinc/89/94/02/581899402.db2.gz GCBRVIPYGASBOW-UHFFFAOYSA-N 0 1 265.317 0.919 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000748349335 581970299 /nfs/dbraw/zinc/97/02/99/581970299.db2.gz KWURXZULQYIHPC-MRVPVSSYSA-N 0 1 281.316 0.656 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOCC[C@H]2C)c1[N+](=O)[O-] ZINC000775597578 582031542 /nfs/dbraw/zinc/03/15/42/582031542.db2.gz IUNYHEUQQPELFH-SSDOTTSWSA-N 0 1 268.273 0.877 20 5 CCBDMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237514350 601011833 /nfs/dbraw/zinc/01/18/33/601011833.db2.gz DLPVYPFJTGMERK-DTWKUNHWSA-N 0 1 280.284 0.949 20 5 CCBDMN COc1cccc2c1OC[C@H](NCC[N+](=O)[O-])C2 ZINC000905095913 617312065 /nfs/dbraw/zinc/31/20/65/617312065.db2.gz HNHRSBYABDTABQ-SNVBAGLBSA-N 0 1 252.270 0.865 20 5 CCBDMN CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956253235 613691886 /nfs/dbraw/zinc/69/18/86/613691886.db2.gz WWBFLCJAWZKKPO-NXEZZACHSA-N 0 1 269.301 0.169 20 5 CCBDMN CC(=O)NCc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000899891666 613944496 /nfs/dbraw/zinc/94/44/96/613944496.db2.gz REKAKSVUKHRGOE-UHFFFAOYSA-N 0 1 251.286 0.689 20 5 CCBDMN CC1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCC1 ZINC000973255264 614478984 /nfs/dbraw/zinc/47/89/84/614478984.db2.gz YUPRDHMTOUEXLB-GWOFURMSSA-N 0 1 295.339 0.605 20 5 CCBDMN CC1(C)C(=O)N[C@H]1C1CCN(CC[N+](=O)[O-])CC1 ZINC000930584594 614502788 /nfs/dbraw/zinc/50/27/88/614502788.db2.gz GFLWDGUFHJRSIY-JTQLQIEISA-N 0 1 255.318 0.500 20 5 CCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(C)C)C1 ZINC000967950537 614651192 /nfs/dbraw/zinc/65/11/92/614651192.db2.gz UFPXTNFCZDXNHM-GHMZBOCLSA-N 0 1 283.328 0.367 20 5 CCBDMN CCC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1nn[nH]n1 ZINC000826937240 615044230 /nfs/dbraw/zinc/04/42/30/615044230.db2.gz GVZXOGZTHCZLPF-QMMMGPOBSA-N 0 1 284.320 0.993 20 5 CCBDMN CCOC(=O)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840286660 615185021 /nfs/dbraw/zinc/18/50/21/615185021.db2.gz ZUJPRVSWTZXYFF-RKDXNWHRSA-N 0 1 256.258 0.206 20 5 CCBDMN CCOC(=O)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000855517764 615205067 /nfs/dbraw/zinc/20/50/67/615205067.db2.gz XNPKCFGJEZQESM-FSDSQADBSA-N 0 1 298.217 0.652 20 5 CCBDMN CCOC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839749756 615303002 /nfs/dbraw/zinc/30/30/02/615303002.db2.gz DWXYNJHMFYHLLK-UTINFBMNSA-N 0 1 270.285 0.500 20 5 CCBDMN CC[C@@](NC(=O)[C@@H]1CC1[N+](=O)[O-])(C(N)=O)C(C)C ZINC000840416736 615592630 /nfs/dbraw/zinc/59/26/30/615592630.db2.gz NEOPGKXUTSTXAL-XLDPMVHQSA-N 0 1 257.290 0.058 20 5 CCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000882465409 615808126 /nfs/dbraw/zinc/80/81/26/615808126.db2.gz YEPCOMWJZMNZEN-CHWFTXMASA-N 0 1 256.302 0.973 20 5 CCBDMN CN(C)C(=O)c1ccc(CNCC[N+](=O)[O-])cc1 ZINC000899865282 615835275 /nfs/dbraw/zinc/83/52/75/615835275.db2.gz PVTIRXRDFGYZFQ-UHFFFAOYSA-N 0 1 251.286 0.755 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccco2)C1 ZINC000954234446 615867256 /nfs/dbraw/zinc/86/72/56/615867256.db2.gz BNLQSSHCDPGEPJ-NXEZZACHSA-N 0 1 293.279 0.228 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC2CCC2)C1 ZINC000954240436 615867276 /nfs/dbraw/zinc/86/72/76/615867276.db2.gz QIOLUKUMGJULNQ-VXGBXAGGSA-N 0 1 295.339 0.511 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2(C)CCC2)C1 ZINC000954242826 615867373 /nfs/dbraw/zinc/86/73/73/615867373.db2.gz SNPBHIYYUVDVQQ-GHMZBOCLSA-N 0 1 295.339 0.511 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000839777167 615867470 /nfs/dbraw/zinc/86/74/70/615867470.db2.gz OVDCGDFJUKLDEB-NXEZZACHSA-N 0 1 299.327 0.729 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000840568786 615867510 /nfs/dbraw/zinc/86/75/10/615867510.db2.gz UXKXMYTZNCNUGV-GHMZBOCLSA-N 0 1 285.344 0.221 20 5 CCBDMN CC[C@](NC(=O)[C@@H]1CC1[N+](=O)[O-])(C(N)=O)C(C)C ZINC000840416714 615965257 /nfs/dbraw/zinc/96/52/57/615965257.db2.gz NEOPGKXUTSTXAL-SOCHQFKDSA-N 0 1 257.290 0.058 20 5 CCBDMN CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821588496 615970639 /nfs/dbraw/zinc/97/06/39/615970639.db2.gz VVWGUNISLVTIBH-UHFFFAOYSA-N 0 1 298.284 0.025 20 5 CCBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(O)CNC1 ZINC000852807594 616164941 /nfs/dbraw/zinc/16/49/41/616164941.db2.gz WEIRVGSGFHNYOV-UHFFFAOYSA-N 0 1 299.714 0.541 20 5 CCBDMN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000863328741 616301814 /nfs/dbraw/zinc/30/18/14/616301814.db2.gz CITADWNOEAVLDQ-VSSNEEPJSA-N 0 1 296.323 0.842 20 5 CCBDMN COC(CNC(=O)[C@@H]1CC1[N+](=O)[O-])(OC)c1ccccc1 ZINC000913222128 616320311 /nfs/dbraw/zinc/32/03/11/616320311.db2.gz HSSMZFRZDSRUCJ-VXGBXAGGSA-N 0 1 294.307 0.914 20 5 CCBDMN COC(=O)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000855446692 616582188 /nfs/dbraw/zinc/58/21/88/616582188.db2.gz GXKASQZVARIANC-GHMZBOCLSA-N 0 1 284.312 0.986 20 5 CCBDMN COC(=O)[C@H](COC(C)C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840394405 616602873 /nfs/dbraw/zinc/60/28/73/616602873.db2.gz FCUBJHMOVCWQDR-BBBLOLIVSA-N 0 1 288.300 0.077 20 5 CCBDMN COC(=O)[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000881714766 616795811 /nfs/dbraw/zinc/79/58/11/616795811.db2.gz VIBIIVOVVWDIEV-WTBMIXGQSA-N 0 1 282.296 0.453 20 5 CCBDMN COC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000894822901 616892160 /nfs/dbraw/zinc/89/21/60/616892160.db2.gz WNYGTGRXYIIGNK-GWOFURMSSA-N 0 1 272.301 0.209 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000236070090 623462724 /nfs/dbraw/zinc/46/27/24/623462724.db2.gz ADWKNUAYTAJXOK-SECBINFHSA-N 0 1 299.714 0.966 20 5 CCBDMN CC(C)C(=O)N[C@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001019994490 623954959 /nfs/dbraw/zinc/95/49/59/623954959.db2.gz VWZNGNABZVRNMD-MGCOHNPYSA-N 0 1 295.343 0.721 20 5 CCBDMN C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000932342124 624488983 /nfs/dbraw/zinc/48/89/83/624488983.db2.gz WVAAZZISPKHZRE-JTQLQIEISA-N 0 1 254.290 0.902 20 5 CCBDMN Cn1cccc1C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673088 631710234 /nfs/dbraw/zinc/71/02/34/631710234.db2.gz YWLXJFAJGBSDPB-VXNVDRBHSA-N 0 1 252.226 0.416 20 5 CCBDMN C[C@@H](Nc1c([N+](=O)[O-])cnn1C)[C@H]1CN(C)CCN1C ZINC000895247878 632036374 /nfs/dbraw/zinc/03/63/74/632036374.db2.gz JNVSVHCHBSDHDB-MWLCHTKSSA-N 0 1 282.348 0.375 20 5 CCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cccs1 ZINC000990114036 633449195 /nfs/dbraw/zinc/44/91/95/633449195.db2.gz GYLATCWIZSIRMC-RKDXNWHRSA-N 0 1 295.320 0.354 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC(N2CCCC2)C1 ZINC000898613683 633635149 /nfs/dbraw/zinc/63/51/49/633635149.db2.gz SMVMFXGDOIZPLB-UHFFFAOYSA-N 0 1 279.300 0.098 20 5 CCBDMN CC1(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCCC1 ZINC000991288585 635853796 /nfs/dbraw/zinc/85/37/96/635853796.db2.gz ROWSNVQIMAAWAW-GHMZBOCLSA-N 0 1 295.339 0.559 20 5 CCBDMN O=C(OCCn1cncn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000920772560 638152430 /nfs/dbraw/zinc/15/24/30/638152430.db2.gz RLRAYHQHSMVWRS-UHFFFAOYSA-N 0 1 251.202 0.371 20 5 CCBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1-n1cnnn1 ZINC000839508355 640317102 /nfs/dbraw/zinc/31/71/02/640317102.db2.gz PCOKYWGIXFAJSD-MWLCHTKSSA-N 0 1 288.267 0.574 20 5 CCBDMN O=C(NCCCN1CCCCC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839667749 640348896 /nfs/dbraw/zinc/34/88/96/640348896.db2.gz ZGCVIJFGFPBTNW-NXEZZACHSA-N 0 1 269.301 0.170 20 5 CCBDMN O=C(N[C@H]1CCCc2c[nH]nc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839704676 640355499 /nfs/dbraw/zinc/35/54/99/640355499.db2.gz DIRSDUOTMHRJAK-HRDYMLBCSA-N 0 1 250.258 0.569 20 5 CCBDMN Cc1ccsc1[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839725411 640357736 /nfs/dbraw/zinc/35/77/36/640357736.db2.gz QSGKEHHARAJVKN-HRDYMLBCSA-N 0 1 270.310 0.871 20 5 CCBDMN C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839723141 640357873 /nfs/dbraw/zinc/35/78/73/640357873.db2.gz FWHGTHFATAZLHP-LMLFDSFASA-N 0 1 256.302 0.973 20 5 CCBDMN Cn1ccnc1[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839739160 640360647 /nfs/dbraw/zinc/36/06/47/640360647.db2.gz GZKLPQIYYFYNRC-HBNTYKKESA-N 0 1 278.312 0.791 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000839779895 640364209 /nfs/dbraw/zinc/36/42/09/640364209.db2.gz NREFNJCVNNHGLZ-DCQANWLSSA-N 0 1 266.297 0.822 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](C2CCC2)C1 ZINC000839809557 640436048 /nfs/dbraw/zinc/43/60/48/640436048.db2.gz ZFFJZDOWLXOUQI-GMTAPVOTSA-N 0 1 254.286 0.679 20 5 CCBDMN O=C(Nc1ccc(-n2nccn2)nc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840278508 641021353 /nfs/dbraw/zinc/02/13/53/641021353.db2.gz LJWRBHUQVFSCQZ-RKDXNWHRSA-N 0 1 274.240 0.266 20 5 CCBDMN O=C(CNC[C@H](O)c1cccc([N+](=O)[O-])c1)NCC1CC1 ZINC000819213802 641389947 /nfs/dbraw/zinc/38/99/47/641389947.db2.gz MLVHWKQDVIPEEN-ZDUSSCGKSA-N 0 1 293.323 0.744 20 5 CCBDMN Nc1ccc(-c2noc([C@H]3CNCCO3)n2)cc1[N+](=O)[O-] ZINC000822639968 641691415 /nfs/dbraw/zinc/69/14/15/641691415.db2.gz JFSXKUMCEIXLOZ-SNVBAGLBSA-N 0 1 291.267 0.888 20 5 CCBDMN C[C@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000828473618 642098033 /nfs/dbraw/zinc/09/80/33/642098033.db2.gz YRDXBHOJMUWZHK-YUMQZZPRSA-N 0 1 254.246 0.401 20 5 CCBDMN C[C@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000828473618 642098040 /nfs/dbraw/zinc/09/80/40/642098040.db2.gz YRDXBHOJMUWZHK-YUMQZZPRSA-N 0 1 254.246 0.401 20 5 CCBDMN O=C(NC[C@H]1CCC2(CCOCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000832414395 642477990 /nfs/dbraw/zinc/47/79/90/642477990.db2.gz HPPIMOGFMLZKNX-GMTAPVOTSA-N 0 1 284.312 0.496 20 5 CCBDMN O=C(NC[C@@H]1CCC2(CCOCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000832414397 642479157 /nfs/dbraw/zinc/47/91/57/642479157.db2.gz HPPIMOGFMLZKNX-HBNTYKKESA-N 0 1 284.312 0.496 20 5 CCBDMN NC(=O)c1sccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841149522 642805341 /nfs/dbraw/zinc/80/53/41/642805341.db2.gz IAKIEOBXRCJXLE-INEUFUBQSA-N 0 1 255.255 0.451 20 5 CCBDMN Cn1nnc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc21 ZINC000843681477 643101155 /nfs/dbraw/zinc/10/11/55/643101155.db2.gz OGYBTKPTYWOEIH-GMSGAONNSA-N 0 1 261.241 0.572 20 5 CCBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000844435910 643216208 /nfs/dbraw/zinc/21/62/08/643216208.db2.gz ZMVBPOAVWCTFLU-DHSUFXDVSA-N 0 1 296.348 0.833 20 5 CCBDMN C[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000853221895 644090723 /nfs/dbraw/zinc/09/07/23/644090723.db2.gz AAZJIDOZJQLEKK-RXMQYKEDSA-N 0 1 266.217 0.364 20 5 CCBDMN C[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1CCO ZINC000855541762 644332385 /nfs/dbraw/zinc/33/23/85/644332385.db2.gz SITYQFUFKSZWFO-ZRUFSTJUSA-N 0 1 256.302 0.661 20 5 CCBDMN C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000857304442 644497300 /nfs/dbraw/zinc/49/73/00/644497300.db2.gz JGQPXQINANTFIR-CIBDYWJTSA-N 0 1 274.342 0.458 20 5 CCBDMN O=C(OCC[C@H]1CCCNC1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000861257536 644871101 /nfs/dbraw/zinc/87/11/01/644871101.db2.gz PRJNSLZRSRAEET-MRVPVSSYSA-N 0 1 281.268 0.996 20 5 CCBDMN Cc1ccc(CNC(=O)C[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000867995424 645700135 /nfs/dbraw/zinc/70/01/35/645700135.db2.gz CVBDVWSOSOCSEB-GFCCVEGCSA-N 0 1 293.323 0.898 20 5 CCBDMN O=C(NC[C@@H]1CCC12CCOCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000871587332 646153493 /nfs/dbraw/zinc/15/34/93/646153493.db2.gz TZLDOYHCCLJROJ-HBNTYKKESA-N 0 1 268.313 0.975 20 5 CCBDMN O=C(NC[C@H](O)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000125803056 646584525 /nfs/dbraw/zinc/58/45/25/646584525.db2.gz PLZPWYPXYIIWDR-JTQLQIEISA-N 0 1 276.252 0.781 20 5 CCBDMN O=C(NCc1ccccc1)[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000930820084 648910320 /nfs/dbraw/zinc/91/03/20/648910320.db2.gz JYROYPVERPQUJI-CYBMUJFWSA-N 0 1 277.324 0.901 20 5 CCBDMN O=C(N1CCOCC1)C1(NCC[N+](=O)[O-])CCCCC1 ZINC000934058269 649154451 /nfs/dbraw/zinc/15/44/51/649154451.db2.gz WUJDXHLWQUHJDJ-UHFFFAOYSA-N 0 1 285.344 0.414 20 5 CCBDMN CN1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]21 ZINC001164669962 719386355 /nfs/dbraw/zinc/38/63/55/719386355.db2.gz VWVLTNPXCZKZKP-MNOVXSKESA-N 0 1 282.275 0.648 20 5 CCBDMN C[N@@H+]1CCc2c(N[C@@H]3CO[N-]C3=O)ccc([N+](=O)[O-])c2C1 ZINC001167522443 791507823 /nfs/dbraw/zinc/50/78/23/791507823.db2.gz CDORZPZZHZUCKX-LLVKDONJSA-N 0 1 292.295 0.425 20 5 CCBDMN C[N@H+]1CCc2c(N[C@@H]3CO[N-]C3=O)ccc([N+](=O)[O-])c2C1 ZINC001167522443 791507830 /nfs/dbraw/zinc/50/78/30/791507830.db2.gz CDORZPZZHZUCKX-LLVKDONJSA-N 0 1 292.295 0.425 20 5 CCBDMN NC(=O)Nc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1F ZINC001141543292 800019543 /nfs/dbraw/zinc/01/95/43/800019543.db2.gz UUIZXNUYSBVXBJ-HZGVNTEJSA-N 0 1 282.231 0.920 20 5 CCBDMN O=C(CNC(=O)[C@@H]1CC1[N+](=O)[O-])OCc1ccccc1 ZINC000839469908 800025897 /nfs/dbraw/zinc/02/58/97/800025897.db2.gz LBIWUQBKWODDON-GHMZBOCLSA-N 0 1 278.264 0.511 20 5 CCBDMN COC(=O)[C@H](N)C1CCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001155151845 800919513 /nfs/dbraw/zinc/91/95/13/800919513.db2.gz HZHAGGWZBXHICA-GFCCVEGCSA-N 0 1 294.311 0.707 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001156825351 801242842 /nfs/dbraw/zinc/24/28/42/801242842.db2.gz MADOQQWOHBJIOD-UHFFFAOYSA-N 0 1 295.690 0.470 20 5 CCBDMN O=C(NCC[C@@H]1CCCC[C@@H]1O)c1n[nH]cc1[N+](=O)[O-] ZINC001157580464 801426145 /nfs/dbraw/zinc/42/61/45/801426145.db2.gz RNMPCHQVHBDFJH-WPRPVWTQSA-N 0 1 282.300 0.989 20 5 CCBDMN NCc1nnnn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001158076817 801565143 /nfs/dbraw/zinc/56/51/43/801565143.db2.gz JTTANGPLNRHZRV-UHFFFAOYSA-N 0 1 271.240 0.577 20 5 CCBDMN NC(=O)c1cc(NCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC001162780794 802415791 /nfs/dbraw/zinc/41/57/91/802415791.db2.gz CKFVQXMNDNFSGE-UHFFFAOYSA-N 0 1 276.256 0.466 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)Cc1nnc[nH]1 ZINC001216480234 803839231 /nfs/dbraw/zinc/83/92/31/803839231.db2.gz JWHLKZYUOADIJP-UHFFFAOYSA-N 0 1 291.271 0.502 20 5 CCBDMN Cc1cc(=O)[nH]c(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)n1 ZINC001226159718 805200088 /nfs/dbraw/zinc/20/00/88/805200088.db2.gz UINPNLJFIWPCLH-ZETCQYMHSA-N 0 1 293.239 0.435 20 5 CCBDMN C[N@@H+]1CCC[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228144958 805418409 /nfs/dbraw/zinc/41/84/09/805418409.db2.gz XQVUGZYHYJCFFC-SSDOTTSWSA-N 0 1 254.246 0.563 20 5 CCBDMN C[N@H+]1CCC[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228144958 805418413 /nfs/dbraw/zinc/41/84/13/805418413.db2.gz XQVUGZYHYJCFFC-SSDOTTSWSA-N 0 1 254.246 0.563 20 5 CCBDMN CC[N@H+]1CC[C@@H](Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001229376079 805527450 /nfs/dbraw/zinc/52/74/50/805527450.db2.gz PQQWKVJVTCDZMN-MRVPVSSYSA-N 0 1 268.273 0.872 20 5 CCBDMN C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001278754542 808167930 /nfs/dbraw/zinc/16/79/30/808167930.db2.gz IHCBNWIEGKJLCY-JDDHQFAOSA-N 0 1 269.301 0.153 20 5 CCBDMN NCc1nnnn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576783 808263261 /nfs/dbraw/zinc/26/32/61/808263261.db2.gz ZCBUEIDHQJJAOL-JTQLQIEISA-N 0 1 260.257 0.380 20 5 CCBDMN Cc1cnc(CN(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001264984844 809687219 /nfs/dbraw/zinc/68/72/19/809687219.db2.gz CGDCLYJSYIRJBJ-GHMZBOCLSA-N 0 1 296.327 0.586 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001167674930 811207238 /nfs/dbraw/zinc/20/72/38/811207238.db2.gz ZVAIGOFPUFMTHS-UHFFFAOYSA-N 0 1 299.294 0.675 20 5 CCBDMN NC(=O)COc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126391340 812952349 /nfs/dbraw/zinc/95/23/49/812952349.db2.gz OWQJSXQWGBIBEW-NXEZZACHSA-N 0 1 280.236 0.121 20 5 CCBDMN COC(=O)CN(CC(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001127096658 815660959 /nfs/dbraw/zinc/66/09/59/815660959.db2.gz PRFZKEVGXPWUQH-RKDXNWHRSA-N 0 1 258.274 0.309 20 5 CCBDMN O=C(NC1CN(CC=C(Cl)Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030294075 815962847 /nfs/dbraw/zinc/96/28/47/815962847.db2.gz WUUSAXTXYMMJDU-HTQZYQBOSA-N 0 1 294.138 0.771 20 5 CCBDMN Cc1nn(Cc2[nH]nc3c2COCC3)cc1[N+](=O)[O-] ZINC000901549550 817447904 /nfs/dbraw/zinc/44/79/04/817447904.db2.gz RRFILNKWFODGCH-UHFFFAOYSA-N 0 1 263.257 0.944 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701051916 818890441 /nfs/dbraw/zinc/89/04/41/818890441.db2.gz QZSWORMFQHTDSP-QMMMGPOBSA-N 0 1 299.714 0.966 20 5 CCBDMN O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC[P@@](=O)([O-])O)C1 ZINC001168969066 836090439 /nfs/dbraw/zinc/09/04/39/836090439.db2.gz BVEQVJVVMXJPSE-YUMQZZPRSA-N 0 1 252.207 0.199 20 5 CCBDMN CS(=O)(=O)[C@@H]1CCCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169039952 836111850 /nfs/dbraw/zinc/11/18/50/836111850.db2.gz WGOGAAHCMLNIIS-QJPTWQEYSA-N 0 1 290.385 0.941 20 5 CCBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2CC(N3CCOCC3)C2)C1 ZINC001169038389 836112730 /nfs/dbraw/zinc/11/27/30/836112730.db2.gz YKPDJCIVQFYOHX-RYUDHWBXSA-N 0 1 269.345 0.448 20 5 CCBDMN CC(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169018801 836113684 /nfs/dbraw/zinc/11/36/84/836113684.db2.gz DZGAGNMBLKLPQT-NWDGAFQWSA-N 0 1 255.318 0.596 20 5 CCBDMN COC[C@H]1COCCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169043823 836113764 /nfs/dbraw/zinc/11/37/64/836113764.db2.gz HXZDSXNUIRKMQB-SRVKXCTJSA-N 0 1 258.318 0.779 20 5 CCBDMN O=[N+]([O-])c1c(Cl)ncnc1NC[C@H]1COCCN1 ZINC001170032916 836751437 /nfs/dbraw/zinc/75/14/37/836751437.db2.gz QPVTYAQKSATDPI-LURJTMIESA-N 0 1 273.680 0.439 20 5 CCBDMN CN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC001131172744 838012108 /nfs/dbraw/zinc/01/21/08/838012108.db2.gz SBJVSSOASWOXIR-ZJUUUORDSA-N 0 1 288.267 0.874 20 5 CCBDMN O=C(Cc1nnc[nH]1)NCc1ccc([N+](=O)[O-])cc1 ZINC001136336517 839593295 /nfs/dbraw/zinc/59/32/95/839593295.db2.gz UGTCSPHUSGKFLS-UHFFFAOYSA-N 0 1 261.241 0.572 20 5 CCBDMN Cc1cc(NCCNC(=O)c2cnn[nH]2)ccc1[N+](=O)[O-] ZINC001094243163 841569662 /nfs/dbraw/zinc/56/96/62/841569662.db2.gz ONRIOHLXAGIPOB-UHFFFAOYSA-N 0 1 290.283 0.863 20 5 CCBDMN O=C(NCCCNc1ccc([N+](=O)[O-])cn1)c1cnn[nH]1 ZINC001094881582 841867279 /nfs/dbraw/zinc/86/72/79/841867279.db2.gz ORARKLDKJSSZMV-UHFFFAOYSA-N 0 1 291.271 0.340 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@H]2COC)c1[N+](=O)[O-] ZINC001178592215 842877276 /nfs/dbraw/zinc/87/72/76/842877276.db2.gz SXOPXYZQAOBZJA-QMMMGPOBSA-N 0 1 298.299 0.368 20 5 CCBDMN CC(C)c1ncc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)[nH]1 ZINC001179091762 842965325 /nfs/dbraw/zinc/96/53/25/842965325.db2.gz CJHTZSWSJAVEJN-UHFFFAOYSA-N 0 1 292.299 0.954 20 5 CCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC1CC1 ZINC001066602102 847994867 /nfs/dbraw/zinc/99/48/67/847994867.db2.gz BZEMOXKNGSEECY-VXGBXAGGSA-N 0 1 297.355 0.759 20 5 CCBDMN C[C@@H](O)[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000717286191 848217350 /nfs/dbraw/zinc/21/73/50/848217350.db2.gz BPJSYENQEJFUJS-YGOYTEALSA-N 0 1 254.286 0.987 20 5 CCBDMN CS(=O)(=O)c1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001276080703 848918330 /nfs/dbraw/zinc/91/83/30/848918330.db2.gz PVFQRPWDPYAFEL-NXEZZACHSA-N 0 1 298.320 0.372 20 5 CCBDMN CC1(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001283245379 904778520 /nfs/dbraw/zinc/77/85/20/904778520.db2.gz GPADAYICUAJVOC-RKDXNWHRSA-N 0 1 269.301 0.074 20 5 CCBDMN CCCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284037902 905127883 /nfs/dbraw/zinc/12/78/83/905127883.db2.gz QIOAJWONTXVFIQ-ZYUZMQFOSA-N 0 1 269.301 0.215 20 5 CCBDMN Cc1cccc(CONC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC001301633790 907983312 /nfs/dbraw/zinc/98/33/12/907983312.db2.gz HCKCCWIXVJMZKL-UHFFFAOYSA-N 0 1 277.240 0.883 20 5 CCBDMN C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1nnc[nH]1 ZINC001307085699 908281720 /nfs/dbraw/zinc/28/17/20/908281720.db2.gz GKNXVFJODXKYQP-LURJTMIESA-N 0 1 276.256 0.985 20 5 CCBDMN O=[N+]([O-])c1cnccc1NCc1nnc([C@H]2CCOC2)[nH]1 ZINC001307166071 908292399 /nfs/dbraw/zinc/29/23/99/908292399.db2.gz YXSXRQGDHCPEDE-QMMMGPOBSA-N 0 1 290.283 0.646 20 5 CCBDMN O=[N+]([O-])c1cnccc1NCc1n[nH]c([C@H]2CCOC2)n1 ZINC001307166071 908292414 /nfs/dbraw/zinc/29/24/14/908292414.db2.gz YXSXRQGDHCPEDE-QMMMGPOBSA-N 0 1 290.283 0.646 20 5 CCBDMN Cn1cc(CN2CCC(CCC(N)=O)CC2)c([N+](=O)[O-])n1 ZINC001307648399 908330561 /nfs/dbraw/zinc/33/05/61/908330561.db2.gz SXPGHOLULDPTNZ-UHFFFAOYSA-N 0 1 295.343 0.806 20 5 CCBDMN O=C(NOC1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001320433439 910674500 /nfs/dbraw/zinc/67/45/00/910674500.db2.gz XUGMPGZGCYCSOQ-UHFFFAOYSA-N 0 1 256.218 0.158 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CN2CCC1CC2 ZINC001339138993 921662644 /nfs/dbraw/zinc/66/26/44/921662644.db2.gz AOHKEUQBXZRLEN-LLVKDONJSA-N 0 1 293.327 0.310 20 5 CCBDMN CC(C)N1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001339553433 921759831 /nfs/dbraw/zinc/75/98/31/921759831.db2.gz OEIPEZWXAKSZKZ-UHFFFAOYSA-N 0 1 268.321 0.122 20 5 CCBDMN COC[C@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001341517680 922528939 /nfs/dbraw/zinc/52/89/39/922528939.db2.gz SOKRUHVDNWUNNI-SNVBAGLBSA-N 0 1 297.286 0.794 20 5 CCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCc2nc[nH]c2C1 ZINC001343973484 923518618 /nfs/dbraw/zinc/51/86/18/923518618.db2.gz VWJGHZBDITZFBG-UHFFFAOYSA-N 0 1 290.283 0.489 20 5 CCBDMN O=[N+]([O-])CCNCCNc1ncnc2sccc21 ZINC001346151097 924089225 /nfs/dbraw/zinc/08/92/25/924089225.db2.gz SDIUNZPGXXNHNQ-UHFFFAOYSA-N 0 1 267.314 0.970 20 5 CCBDMN O=C1Nc2ccccc2[C@@]12CCN(CC[N+](=O)[O-])C2 ZINC001351332587 925406433 /nfs/dbraw/zinc/40/64/33/925406433.db2.gz JTFFHKWMLBSFEX-ZDUSSCGKSA-N 0 1 261.281 0.859 20 5 CCBDMN CC(=O)NCc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001353261748 925776020 /nfs/dbraw/zinc/77/60/20/925776020.db2.gz ZZZUMPQNYDPVEE-VXGBXAGGSA-N 0 1 277.280 0.926 20 5 CCBDMN CC(C)c1nc(CNC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC001450152963 931238796 /nfs/dbraw/zinc/23/87/96/931238796.db2.gz TWSAZVQLIRPFKE-UHFFFAOYSA-N 0 1 293.287 0.500 20 5 CCBDMN CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090512480 349437758 /nfs/dbraw/zinc/43/77/58/349437758.db2.gz OUJFGIMWSNJLOT-UHFFFAOYSA-N 0 1 266.301 0.004 20 5 CCBDMN CNC(=O)c1ccc(NCc2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000096475006 349618915 /nfs/dbraw/zinc/61/89/15/349618915.db2.gz VTOQUUAOTICYEM-UHFFFAOYSA-N 0 1 277.244 0.080 20 5 CCBDMN CC[C@@H]1CN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000428067247 529393436 /nfs/dbraw/zinc/39/34/36/529393436.db2.gz RUNBKSGHSFIZPI-SECBINFHSA-N 0 1 297.315 0.159 20 5 CCBDMN O=C(NCCO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000097175856 349631121 /nfs/dbraw/zinc/63/11/21/349631121.db2.gz LGKRINLYDANWFR-UHFFFAOYSA-N 0 1 250.214 0.193 20 5 CCBDMN O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000600523217 362003366 /nfs/dbraw/zinc/00/33/66/362003366.db2.gz VFPNEECVTJKPTA-VXNVDRBHSA-N 0 1 266.257 0.615 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](CO)[C@H]2C)c1[N+](=O)[O-] ZINC000427833939 529466516 /nfs/dbraw/zinc/46/65/16/529466516.db2.gz XGTNHVKYAHRHDL-SFYZADRCSA-N 0 1 282.300 0.723 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000412770808 529467131 /nfs/dbraw/zinc/46/71/31/529467131.db2.gz LABWOEVFKVRMFW-JGVFFNPUSA-N 0 1 282.300 0.723 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000600535620 362006664 /nfs/dbraw/zinc/00/66/64/362006664.db2.gz RNZMZMKOJFQBAX-SNVBAGLBSA-N 0 1 295.295 0.097 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](CO)C[C@H]2C)c1[N+](=O)[O-] ZINC000600770808 362058778 /nfs/dbraw/zinc/05/87/78/362058778.db2.gz GCIZLCUTRTUGOI-VXNVDRBHSA-N 0 1 282.300 0.859 20 5 CCBDMN CN(C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000601449288 362276707 /nfs/dbraw/zinc/27/67/07/362276707.db2.gz YMJQRRUAMZQXPO-UHFFFAOYSA-N 0 1 299.352 0.967 20 5 CCBDMN O=[N+]([O-])c1cnc(NCCCCN2CCOCC2)nc1 ZINC000273211868 192076688 /nfs/dbraw/zinc/07/66/88/192076688.db2.gz TXPDTWJZJBPPKU-UHFFFAOYSA-N 0 1 281.316 0.909 20 5 CCBDMN CCc1ccc(C(=O)NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000602552530 362675378 /nfs/dbraw/zinc/67/53/78/362675378.db2.gz UJLKRBSEBLCBBX-GFCCVEGCSA-N 0 1 293.323 0.875 20 5 CCBDMN COCC[C@]1(NCc2cn(C)nc2[N+](=O)[O-])CCOC1 ZINC000602819684 362819035 /nfs/dbraw/zinc/81/90/35/362819035.db2.gz UFRIZHOEHPDWCY-LBPRGKRZSA-N 0 1 284.316 0.614 20 5 CCBDMN CCN(CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000602830962 362822835 /nfs/dbraw/zinc/82/28/35/362822835.db2.gz YCLSRKJJQCJMQY-JTQLQIEISA-N 0 1 281.316 0.310 20 5 CCBDMN NC1(c2noc(CCn3cc([N+](=O)[O-])cn3)n2)CCC1 ZINC000261724801 137017077 /nfs/dbraw/zinc/01/70/77/137017077.db2.gz JTHFDCFDEMMKHM-UHFFFAOYSA-N 0 1 278.272 0.755 20 5 CCBDMN CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000343896083 137164707 /nfs/dbraw/zinc/16/47/07/137164707.db2.gz MCFVYVOSHZHEKW-VIFPVBQESA-N 0 1 279.300 0.627 20 5 CCBDMN CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000343896073 137165002 /nfs/dbraw/zinc/16/50/02/137165002.db2.gz MCFVYVOSHZHEKW-SECBINFHSA-N 0 1 279.300 0.627 20 5 CCBDMN O=C(NCCCO[C@@H]1CCCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000347263532 137327912 /nfs/dbraw/zinc/32/79/12/137327912.db2.gz FHSIAVQFVUIRAP-SNVBAGLBSA-N 0 1 298.299 0.981 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN2CCC1CC2 ZINC000348063101 137371028 /nfs/dbraw/zinc/37/10/28/137371028.db2.gz VRFQHUIAEJXZBU-UHFFFAOYSA-N 0 1 264.285 0.843 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000061145871 348651504 /nfs/dbraw/zinc/65/15/04/348651504.db2.gz OATCCPKEPRXWHV-UHFFFAOYSA-N 0 1 294.311 0.895 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC(CO)CC2)c1[N+](=O)[O-] ZINC000271111269 190949036 /nfs/dbraw/zinc/94/90/36/190949036.db2.gz IZBHLIPEDOGRNW-UHFFFAOYSA-N 0 1 282.300 0.725 20 5 CCBDMN COc1ccc(NC(=O)C[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000136483725 350423630 /nfs/dbraw/zinc/42/36/30/350423630.db2.gz ZXIYORXYXSBTFR-JTQLQIEISA-N 0 1 295.295 0.920 20 5 CCBDMN COc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])ccn1 ZINC000159577404 350681882 /nfs/dbraw/zinc/68/18/82/350681882.db2.gz BLFBZPILZWXCOY-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN CC1(C)[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000163863757 350774306 /nfs/dbraw/zinc/77/43/06/350774306.db2.gz VSRHTLUNFGRLRB-UASFKTIASA-N 0 1 280.284 0.861 20 5 CCBDMN CC[N@@H+](C)CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164630991 350781104 /nfs/dbraw/zinc/78/11/04/350781104.db2.gz GXKBKBCMDLDEGP-UHFFFAOYSA-N 0 1 267.285 0.982 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C[C@@H](C)C(=O)OC)c1[N+](=O)[O-] ZINC000171803826 350934799 /nfs/dbraw/zinc/93/47/99/350934799.db2.gz DQTHOQWAMQDAHZ-SSDOTTSWSA-N 0 1 298.299 0.761 20 5 CCBDMN NC(=O)CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174822012 351105794 /nfs/dbraw/zinc/10/57/94/351105794.db2.gz QBFJYZAKURCTAI-UHFFFAOYSA-N 0 1 281.316 0.379 20 5 CCBDMN CCCN(CCn1cc([N+](=O)[O-])cn1)CC(=O)NC ZINC000174863591 351108212 /nfs/dbraw/zinc/10/82/12/351108212.db2.gz AQLFIQPBIGFLPI-UHFFFAOYSA-N 0 1 269.305 0.249 20 5 CCBDMN CCOCCN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176232529 351163215 /nfs/dbraw/zinc/16/32/15/351163215.db2.gz KMVWJIHUFLXLMH-UHFFFAOYSA-N 0 1 297.359 0.445 20 5 CCBDMN CC(C)CN1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000179503899 351269432 /nfs/dbraw/zinc/26/94/32/351269432.db2.gz LBJNUDHRIYDMND-UHFFFAOYSA-N 0 1 295.343 0.742 20 5 CCBDMN C[N@@H+]1CCC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187021086 351526477 /nfs/dbraw/zinc/52/64/77/351526477.db2.gz HPJNEAPKYANDIW-VIFPVBQESA-N 0 1 280.284 0.519 20 5 CCBDMN C[N@H+]1CCC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187021086 351526483 /nfs/dbraw/zinc/52/64/83/351526483.db2.gz HPJNEAPKYANDIW-VIFPVBQESA-N 0 1 280.284 0.519 20 5 CCBDMN NS(=O)(=O)[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000339841252 215360008 /nfs/dbraw/zinc/36/00/08/215360008.db2.gz OJHPZTKXMIGIRD-LBPRGKRZSA-N 0 1 299.352 0.500 20 5 CCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1COCCN1 ZINC000235776029 352188781 /nfs/dbraw/zinc/18/87/81/352188781.db2.gz SVXJMNZRCZMFQM-SNVBAGLBSA-N 0 1 279.296 0.621 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CC(C)(C)O)c1[N+](=O)[O-] ZINC000267093524 352744124 /nfs/dbraw/zinc/74/41/24/352744124.db2.gz IZZNQAGZRFIYRB-UHFFFAOYSA-N 0 1 256.262 0.469 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC(=O)CC2)c1[N+](=O)[O-] ZINC000272335365 353053679 /nfs/dbraw/zinc/05/36/79/353053679.db2.gz WDSXEDWGKFXULM-UHFFFAOYSA-N 0 1 252.230 0.431 20 5 CCBDMN CC(C)(C)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000272699957 353086017 /nfs/dbraw/zinc/08/60/17/353086017.db2.gz TYWCNFZBAVIIGP-JTQLQIEISA-N 0 1 295.295 0.930 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@](C)(C(N)=O)C2)c1[N+](=O)[O-] ZINC000280101778 353337999 /nfs/dbraw/zinc/33/79/99/353337999.db2.gz PJTYAPHOJVCPCF-GFCCVEGCSA-N 0 1 295.299 0.218 20 5 CCBDMN C[C@@]1(C(N)=O)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000280119162 353339759 /nfs/dbraw/zinc/33/97/59/353339759.db2.gz QOEYHZUYWYLQGS-CYBMUJFWSA-N 0 1 293.279 0.638 20 5 CCBDMN Cc1nc(N2CCN(C[C@H](C)O)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000295092249 353891102 /nfs/dbraw/zinc/89/11/02/353891102.db2.gz SIPKFWYNRDJTPG-ZJUUUORDSA-N 0 1 295.343 0.585 20 5 CCBDMN CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000331243672 354503007 /nfs/dbraw/zinc/50/30/07/354503007.db2.gz PSMGYASTMHFHMA-VIFPVBQESA-N 0 1 294.311 0.862 20 5 CCBDMN CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000331243672 354503010 /nfs/dbraw/zinc/50/30/10/354503010.db2.gz PSMGYASTMHFHMA-VIFPVBQESA-N 0 1 294.311 0.862 20 5 CCBDMN C[NH+](C)CCn1ccc(=NC(=O)c2ccc([N+](=O)[O-])[n-]2)[nH]1 ZINC000338815409 355427154 /nfs/dbraw/zinc/42/71/54/355427154.db2.gz JNPMBLAILAGBJM-UHFFFAOYSA-N 0 1 292.299 0.355 20 5 CCBDMN C[C@@H](O)C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000339115063 355489395 /nfs/dbraw/zinc/48/93/95/355489395.db2.gz YAQLGMVKLVOYIL-VHSXEESVSA-N 0 1 284.312 0.864 20 5 CCBDMN C[C@@H](O)C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000339115063 355489400 /nfs/dbraw/zinc/48/94/00/355489400.db2.gz YAQLGMVKLVOYIL-VHSXEESVSA-N 0 1 284.312 0.864 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](n3ccnn3)C2)n1 ZINC000425502328 235302561 /nfs/dbraw/zinc/30/25/61/235302561.db2.gz PVLVNAZKKYIQCW-LLVKDONJSA-N 0 1 291.315 0.720 20 5 CCBDMN COc1cc(C(=O)Nc2nn[nH]n2)c([N+](=O)[O-])cc1OC ZINC000345363102 355806658 /nfs/dbraw/zinc/80/66/58/355806658.db2.gz WIIYATMCJAFHSJ-UHFFFAOYSA-N 0 1 294.227 0.377 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000346062182 355866699 /nfs/dbraw/zinc/86/66/99/355866699.db2.gz XRWLFBZQYLOTHS-GHMZBOCLSA-N 0 1 295.343 0.732 20 5 CCBDMN CCN1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000346062184 355867464 /nfs/dbraw/zinc/86/74/64/355867464.db2.gz XRWLFBZQYLOTHS-MNOVXSKESA-N 0 1 295.343 0.732 20 5 CCBDMN CCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])nn2C)n[nH]1 ZINC000360728022 138008239 /nfs/dbraw/zinc/00/82/39/138008239.db2.gz XYPVZGHLOWVGTK-LURJTMIESA-N 0 1 293.287 0.500 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000619423288 366248991 /nfs/dbraw/zinc/24/89/91/366248991.db2.gz PEOIQWRWIGVDLD-QMMMGPOBSA-N 0 1 280.284 0.735 20 5 CCBDMN O=C(NCc1cc2n(n1)CCCO2)c1n[nH]cc1[N+](=O)[O-] ZINC000560604421 291109560 /nfs/dbraw/zinc/10/95/60/291109560.db2.gz ATBROIHCEFTJQT-UHFFFAOYSA-N 0 1 292.255 0.227 20 5 CCBDMN CC[C@H](CO)N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610282207 363547878 /nfs/dbraw/zinc/54/78/78/363547878.db2.gz UFRSIEJGMWVNCW-LLVKDONJSA-N 0 1 280.328 0.883 20 5 CCBDMN O=C(NC[C@H]1CN2CCN1CCC2)c1ccc([N+](=O)[O-])o1 ZINC000619873373 366367857 /nfs/dbraw/zinc/36/78/57/366367857.db2.gz HYHYMOZYYFWICE-JTQLQIEISA-N 0 1 294.311 0.308 20 5 CCBDMN CN(CC(=O)NCc1c[nH]nn1)c1ccccc1[N+](=O)[O-] ZINC000610494446 363568232 /nfs/dbraw/zinc/56/82/32/363568232.db2.gz IGTOPJOYBALMIM-UHFFFAOYSA-N 0 1 290.283 0.466 20 5 CCBDMN O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2[nH]nnc2C1 ZINC000359760170 356886457 /nfs/dbraw/zinc/88/64/57/356886457.db2.gz GJGKOCBJOQOWDO-UHFFFAOYSA-N 0 1 287.279 0.840 20 5 CCBDMN CO[C@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCOC1 ZINC000359943815 356923560 /nfs/dbraw/zinc/92/35/60/356923560.db2.gz KLGUGPKDDABVOU-ZDUSSCGKSA-N 0 1 296.279 0.836 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(OC[C@H]2CCCO2)CC1 ZINC000364318289 357108695 /nfs/dbraw/zinc/10/86/95/357108695.db2.gz IBHFFDRZDLXFMB-JHJVBQTASA-N 0 1 298.339 0.838 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@H](O)C1 ZINC000449412524 236032876 /nfs/dbraw/zinc/03/28/76/236032876.db2.gz FZGIGYSRVMVYBR-LLVKDONJSA-N 0 1 268.269 0.494 20 5 CCBDMN COC[C@@](C)(N)CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000450331383 236080504 /nfs/dbraw/zinc/08/05/04/236080504.db2.gz LIZFTBJLKSHFAI-LBPRGKRZSA-N 0 1 279.300 0.669 20 5 CCBDMN CCc1nn(C)c(N2CCN3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000405289011 357823724 /nfs/dbraw/zinc/82/37/24/357823724.db2.gz ZAASCLQAXKGSAP-VHSXEESVSA-N 0 1 295.343 0.146 20 5 CCBDMN Cc1nc(N2CCN(CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000450951843 236124337 /nfs/dbraw/zinc/12/43/37/236124337.db2.gz GPYOSZXSCAUIKF-JTQLQIEISA-N 0 1 280.328 0.801 20 5 CCBDMN O=C(CCOc1ccccc1[N+](=O)[O-])NCc1c[nH]nn1 ZINC000610663189 363591958 /nfs/dbraw/zinc/59/19/58/363591958.db2.gz GWSPWXDPKKNCQN-UHFFFAOYSA-N 0 1 291.267 0.798 20 5 CCBDMN O=C1NC(=O)[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000451632082 236174067 /nfs/dbraw/zinc/17/40/67/236174067.db2.gz JOPZFMDXENNVRT-TXEJJXNPSA-N 0 1 289.291 0.342 20 5 CCBDMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000573976886 359017793 /nfs/dbraw/zinc/01/77/93/359017793.db2.gz KWWFZXDKNCWKQU-NHCYSSNCSA-N 0 1 294.311 0.976 20 5 CCBDMN [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000579950793 359066201 /nfs/dbraw/zinc/06/62/01/359066201.db2.gz UUIUZUHWMNCYKM-DTWKUNHWSA-N 0 1 294.311 0.943 20 5 CCBDMN CC[N@H+](CC(=O)[O-])C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584637925 359185251 /nfs/dbraw/zinc/18/52/51/359185251.db2.gz GATISZCTHKTBIA-NSHDSACASA-N 0 1 298.295 0.741 20 5 CCBDMN O=C(N[C@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000590372096 359445779 /nfs/dbraw/zinc/44/57/79/359445779.db2.gz VXHQZHIYIORBCS-JTQLQIEISA-N 0 1 294.311 0.176 20 5 CCBDMN CC[C@@H](C)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000296894713 200027883 /nfs/dbraw/zinc/02/78/83/200027883.db2.gz JXKHDGJSNPOGMY-LLVKDONJSA-N 0 1 295.343 0.734 20 5 CCBDMN O=[N+]([O-])c1ccn(Cc2nc([C@@H]3CCCN3)no2)n1 ZINC000592356931 359823085 /nfs/dbraw/zinc/82/30/85/359823085.db2.gz LXWQVAVZSHVANY-ZETCQYMHSA-N 0 1 264.245 0.647 20 5 CCBDMN O=[N+]([O-])c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)[n-]n1 ZINC000592356071 359823310 /nfs/dbraw/zinc/82/33/10/359823310.db2.gz PPZUQWWYAVRWDT-RXMQYKEDSA-N 0 1 250.218 0.792 20 5 CCBDMN CN1CCC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000611201633 363680729 /nfs/dbraw/zinc/68/07/29/363680729.db2.gz HKQBELBPQPVYAW-SSDOTTSWSA-N 0 1 253.262 0.142 20 5 CCBDMN CCCC[C@@](C)(CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592851473 359956040 /nfs/dbraw/zinc/95/60/40/359956040.db2.gz DEGLSVIEZVGZNC-NSHDSACASA-N 0 1 270.289 0.989 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CCNC(C)=O)c1[N+](=O)[O-] ZINC000592866248 359965137 /nfs/dbraw/zinc/96/51/37/359965137.db2.gz HEVOJDCBSIYWKS-UHFFFAOYSA-N 0 1 283.288 0.088 20 5 CCBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3nnc[nH]3)CC2)cn1 ZINC000593507533 360102441 /nfs/dbraw/zinc/10/24/41/360102441.db2.gz JXQYFFZSAFCRMB-UHFFFAOYSA-N 0 1 289.299 0.430 20 5 CCBDMN C[C@@H]1[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1C ZINC000593187299 360051846 /nfs/dbraw/zinc/05/18/46/360051846.db2.gz IYMNGKTUWDXJCW-AXFHLTTASA-N 0 1 295.343 0.731 20 5 CCBDMN CC(C)n1cnc(=NC(=O)c2ccc([N+](=O)[O-])cn2)[nH]1 ZINC000593232297 360053513 /nfs/dbraw/zinc/05/35/13/360053513.db2.gz MYDWOCHDYGQTSF-UHFFFAOYSA-N 0 1 276.256 0.836 20 5 CCBDMN COc1cccc([N+](=O)[O-])c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594601516 360337828 /nfs/dbraw/zinc/33/78/28/360337828.db2.gz CCJXWNUGSCOAJC-WDEREUQCSA-N 0 1 293.323 0.859 20 5 CCBDMN C[C@H]1C[C@@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594749682 360375577 /nfs/dbraw/zinc/37/55/77/360375577.db2.gz WRPCWDIJQDNPFZ-JGVFFNPUSA-N 0 1 271.298 0.924 20 5 CCBDMN C[C@H](O)CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772902 360380424 /nfs/dbraw/zinc/38/04/24/360380424.db2.gz ZLZONINZXBSLSQ-QMMMGPOBSA-N 0 1 289.313 0.429 20 5 CCBDMN C[C@@H](C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])[NH+](C)C ZINC000594779277 360381963 /nfs/dbraw/zinc/38/19/63/360381963.db2.gz MJSZXYIJZUUYLS-QMMMGPOBSA-N 0 1 288.329 0.218 20 5 CCBDMN CO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C(=O)[O-])C1 ZINC000563457350 291232439 /nfs/dbraw/zinc/23/24/39/291232439.db2.gz ZXRSETYCQNCHJN-QWRGUYRKSA-N 0 1 298.299 0.355 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC(O)(CO)CC1 ZINC000595733297 360632581 /nfs/dbraw/zinc/63/25/81/360632581.db2.gz RCIYDMFOYLLREE-UHFFFAOYSA-N 0 1 282.296 0.620 20 5 CCBDMN Cc1c([N+](=O)[O-])ccc(=O)n1Cc1nc(C(C)(C)N)no1 ZINC000563532705 291235521 /nfs/dbraw/zinc/23/55/21/291235521.db2.gz XGJCKYQKKLJUBO-UHFFFAOYSA-N 0 1 293.283 0.690 20 5 CCBDMN C[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)N1CCN(C)CC1 ZINC000596103724 360795317 /nfs/dbraw/zinc/79/53/17/360795317.db2.gz FNYOXUSBBYGSKG-SNVBAGLBSA-N 0 1 294.359 0.042 20 5 CCBDMN CC1(C)CN(c2ccc(N)c([N+](=O)[O-])n2)CCN1CCO ZINC000596223332 360842294 /nfs/dbraw/zinc/84/22/94/360842294.db2.gz QGVSBKFCTHSTGG-UHFFFAOYSA-N 0 1 295.343 0.465 20 5 CCBDMN CN(CC1CN(C)C1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596454894 360900142 /nfs/dbraw/zinc/90/01/42/360900142.db2.gz VOMSUICKFBKUJA-UHFFFAOYSA-N 0 1 278.312 0.692 20 5 CCBDMN CO[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000597540668 361132115 /nfs/dbraw/zinc/13/21/15/361132115.db2.gz MXNIQZDLXWNOJO-NSHDSACASA-N 0 1 282.252 0.745 20 5 CCBDMN CCO[C@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598060671 361328423 /nfs/dbraw/zinc/32/84/23/361328423.db2.gz VNSDDYHMCANWIR-LJGSYFOKSA-N 0 1 254.246 0.615 20 5 CCBDMN O=C(NC[C@@H](CO)CC1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000598293864 361382134 /nfs/dbraw/zinc/38/21/34/361382134.db2.gz UTKZASWIMCSIID-QMMMGPOBSA-N 0 1 268.273 0.456 20 5 CCBDMN CO[C@H](C)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599287742 361634516 /nfs/dbraw/zinc/63/45/16/361634516.db2.gz FLAHEHPXJSWXHI-NKWVEPMBSA-N 0 1 292.317 0.030 20 5 CCBDMN CO[C@H]1C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000599511937 361722781 /nfs/dbraw/zinc/72/27/81/361722781.db2.gz SREQSRSRGSQEDW-ZKCHVHJHSA-N 0 1 287.297 0.446 20 5 CCBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](CO)[C@H](CO)C1 ZINC000599530489 361727175 /nfs/dbraw/zinc/72/71/75/361727175.db2.gz YQESDWDZTJDBNM-RYUDHWBXSA-N 0 1 296.323 0.636 20 5 CCBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000275591150 193081886 /nfs/dbraw/zinc/08/18/86/193081886.db2.gz PAXTWCQGVISVTK-ZETCQYMHSA-N 0 1 291.267 0.920 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC(=O)N1C ZINC000330410168 202789070 /nfs/dbraw/zinc/78/90/70/202789070.db2.gz TWPSBGQSGVCCBJ-QMMMGPOBSA-N 0 1 293.279 0.603 20 5 CCBDMN COCCN[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000566627755 291427890 /nfs/dbraw/zinc/42/78/90/291427890.db2.gz SABOIAMBCFDMCZ-LLVKDONJSA-N 0 1 293.279 0.463 20 5 CCBDMN C[C@H]1COC(C)(C)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331118495 203553221 /nfs/dbraw/zinc/55/32/21/203553221.db2.gz ONVOUKGRSSXVHS-CMPLNLGQSA-N 0 1 298.343 0.652 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCN1 ZINC000088059082 284621883 /nfs/dbraw/zinc/62/18/83/284621883.db2.gz YLYKRNRUOAFUHE-MRVPVSSYSA-N 0 1 252.274 0.367 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H](CO)[C@H](O)C1 ZINC000516494736 249168184 /nfs/dbraw/zinc/16/81/84/249168184.db2.gz PCNXSZOBKPODJE-NOZJJQNGSA-N 0 1 282.296 0.476 20 5 CCBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000574664640 335038387 /nfs/dbraw/zinc/03/83/87/335038387.db2.gz BNOURKOHPQTAGE-UHFFFAOYSA-N 0 1 265.273 0.238 20 5 CCBDMN [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000574754703 335044757 /nfs/dbraw/zinc/04/47/57/335044757.db2.gz KHSXBSKTOIQYRO-JGVFFNPUSA-N 0 1 280.284 0.553 20 5 CCBDMN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CNCCO1 ZINC000150755263 284901313 /nfs/dbraw/zinc/90/13/13/284901313.db2.gz JWAIECOINRPRAH-LBPRGKRZSA-N 0 1 294.311 0.111 20 5 CCBDMN COCCCONC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000288084526 197001380 /nfs/dbraw/zinc/00/13/80/197001380.db2.gz KCVVDDKQTFJYBS-UHFFFAOYSA-N 0 1 270.241 0.998 20 5 CCBDMN CN1CCO[C@@H]2CCN(c3ncc([N+](=O)[O-])s3)C[C@@H]21 ZINC000285124937 388788335 /nfs/dbraw/zinc/78/83/35/388788335.db2.gz RSOAAAUIDVPYIL-DTWKUNHWSA-N 0 1 284.341 0.961 20 5 CCBDMN O=C(NCCNc1ccccc1[N+](=O)[O-])c1cnn[nH]1 ZINC000047610151 388880586 /nfs/dbraw/zinc/88/05/86/388880586.db2.gz LFTMJHSVKSZIQG-UHFFFAOYSA-N 0 1 276.256 0.555 20 5 CCBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(N)=O ZINC000296541290 389010508 /nfs/dbraw/zinc/01/05/08/389010508.db2.gz FEPIPEFTMGINBT-YUMQZZPRSA-N 0 1 280.284 0.829 20 5 CCBDMN O=C(N[C@H]1C[C@@H](O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000298495079 389025175 /nfs/dbraw/zinc/02/51/75/389025175.db2.gz SKBJAHJJWFXOMP-WKFQBHICSA-N 0 1 252.226 0.554 20 5 CCBDMN CCN1C[C@@H](C)N(c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1C ZINC000345168396 389292079 /nfs/dbraw/zinc/29/20/79/389292079.db2.gz FIUGBUGBICAETE-RKDXNWHRSA-N 0 1 280.332 0.716 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CCN(C)C(=O)C2)c1[N+](=O)[O-] ZINC000269541433 389423337 /nfs/dbraw/zinc/42/33/37/389423337.db2.gz VHRJNBWQZINHFN-UHFFFAOYSA-N 0 1 295.299 0.356 20 5 CCBDMN NC(=O)N[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270662630 389433993 /nfs/dbraw/zinc/43/39/93/389433993.db2.gz KJAYFWZCDDQPFN-JTQLQIEISA-N 0 1 294.311 0.716 20 5 CCBDMN COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000411906283 389457729 /nfs/dbraw/zinc/45/77/29/389457729.db2.gz CZRPADWLGLEADD-JQWIXIFHSA-N 0 1 282.296 0.882 20 5 CCBDMN COC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000411906283 389457736 /nfs/dbraw/zinc/45/77/36/389457736.db2.gz CZRPADWLGLEADD-JQWIXIFHSA-N 0 1 282.296 0.882 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000276772264 389538853 /nfs/dbraw/zinc/53/88/53/389538853.db2.gz OORJDKHDXOUNHC-SFYZADRCSA-N 0 1 282.300 0.581 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])cn1)Cc1nnc[nH]1 ZINC000177135314 389573548 /nfs/dbraw/zinc/57/35/48/389573548.db2.gz SLNOCPTWQZEWME-UHFFFAOYSA-N 0 1 251.250 0.041 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000374484534 389583751 /nfs/dbraw/zinc/58/37/51/389583751.db2.gz YBMDWXTXMNZRNL-JHJVBQTASA-N 0 1 292.291 0.957 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H](c2cccc(O)c2)C1 ZINC000374484536 389584049 /nfs/dbraw/zinc/58/40/49/389584049.db2.gz YBMDWXTXMNZRNL-UPJWGTAASA-N 0 1 292.291 0.957 20 5 CCBDMN COc1cc(CN(CCO)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000351937109 389719574 /nfs/dbraw/zinc/71/95/74/389719574.db2.gz NFXYEMPYWNNJNE-JTQLQIEISA-N 0 1 284.312 0.779 20 5 CCBDMN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCCN1C ZINC000352105785 389754268 /nfs/dbraw/zinc/75/42/68/389754268.db2.gz VSBHTYYSHDKTRV-KCJUWKMLSA-N 0 1 293.327 0.785 20 5 CCBDMN C[C@H]1COCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000432569195 389884121 /nfs/dbraw/zinc/88/41/21/389884121.db2.gz OPRREGMFPGDBIX-BQBZGAKWSA-N 0 1 254.246 0.473 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)Cc2ncon2)c1[N+](=O)[O-] ZINC000444347463 389902675 /nfs/dbraw/zinc/90/26/75/389902675.db2.gz YDESRMGOINADRK-UHFFFAOYSA-N 0 1 280.244 0.536 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000444353500 389903096 /nfs/dbraw/zinc/90/30/96/389903096.db2.gz QTYAHDCTITUADF-QMMMGPOBSA-N 0 1 282.300 0.867 20 5 CCBDMN CCOC(=O)c1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])n[nH]1 ZINC000542833801 390274053 /nfs/dbraw/zinc/27/40/53/390274053.db2.gz RJWMEJYDVQLPGN-UHFFFAOYSA-N 0 1 294.227 0.470 20 5 CCBDMN CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496037275 390286439 /nfs/dbraw/zinc/28/64/39/390286439.db2.gz VKRPLDYKTYSMFB-HBNTYKKESA-N 0 1 299.327 0.731 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](CO)[C@H](O)C1 ZINC000555669731 390463131 /nfs/dbraw/zinc/46/31/31/390463131.db2.gz APOKZBMMTFOCAY-DGCLKSJQSA-N 0 1 296.323 0.649 20 5 CCBDMN COCCO[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000189681133 130008397 /nfs/dbraw/zinc/00/83/97/130008397.db2.gz OGTSEFBTXNDZKC-LLVKDONJSA-N 0 1 284.316 0.529 20 5 CCBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCNCC1 ZINC000237058223 131001039 /nfs/dbraw/zinc/00/10/39/131001039.db2.gz FVCHVUQWIAVKPT-UHFFFAOYSA-N 0 1 278.312 0.706 20 5 CCBDMN C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN1 ZINC000237602524 131046351 /nfs/dbraw/zinc/04/63/51/131046351.db2.gz OLPYKDWLCDJYSN-VIFPVBQESA-N 0 1 297.286 0.933 20 5 CCBDMN O=C(NCCn1cncn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356496975 144007951 /nfs/dbraw/zinc/00/79/51/144007951.db2.gz VXHZEYICOUZGGB-UHFFFAOYSA-N 0 1 277.240 0.322 20 5 CCBDMN CCOC[C@H](O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356759725 144030057 /nfs/dbraw/zinc/03/00/57/144030057.db2.gz DDXBYPKSSIZNTB-LLVKDONJSA-N 0 1 284.268 0.428 20 5 CCBDMN C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356806327 144034892 /nfs/dbraw/zinc/03/48/92/144034892.db2.gz SDBFSUUVSHBJCS-QPUJVOFHSA-N 0 1 296.279 0.522 20 5 CCBDMN C[C@@H]1[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000356851445 144037890 /nfs/dbraw/zinc/03/78/90/144037890.db2.gz MSXKWNSHZYZMCN-GHMZBOCLSA-N 0 1 295.343 0.732 20 5 CCBDMN CN(C)C(=O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369692435 144277201 /nfs/dbraw/zinc/27/72/01/144277201.db2.gz NARWVLARPFRBMH-UHFFFAOYSA-N 0 1 281.316 0.516 20 5 CCBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000372748806 144379806 /nfs/dbraw/zinc/37/98/06/144379806.db2.gz LIABFRHWYOKFPC-JLLWLGSASA-N 0 1 293.327 0.377 20 5 CCBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548947941 286081463 /nfs/dbraw/zinc/08/14/63/286081463.db2.gz VNOWOQIHQFFQNN-ZETCQYMHSA-N 0 1 265.273 0.284 20 5 CCBDMN CN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000549728315 286097111 /nfs/dbraw/zinc/09/71/11/286097111.db2.gz LSTYSALKYZLJNW-UHFFFAOYSA-N 0 1 281.316 0.344 20 5 CCBDMN O=c1nc([C@@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)[nH][nH]1 ZINC000285514383 196310098 /nfs/dbraw/zinc/31/00/98/196310098.db2.gz GEFQDJAMWKVPDO-ZCFIWIBFSA-N 0 1 296.312 0.847 20 5 CCBDMN [NH3+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000519153369 265340859 /nfs/dbraw/zinc/34/08/59/265340859.db2.gz RDOGSCCXCZXHAK-SSDOTTSWSA-N 0 1 266.257 0.259 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1C ZINC000356704679 276240166 /nfs/dbraw/zinc/24/01/66/276240166.db2.gz BPGBUJXHTOXWCN-VHSXEESVSA-N 0 1 295.343 0.883 20 5 CCBDMN C[C@H]1C(=O)N(C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339099386 290298200 /nfs/dbraw/zinc/29/82/00/290298200.db2.gz NHHMBLYFBYMIHP-VIFPVBQESA-N 0 1 279.296 0.963 20 5 CCBDMN Cc1nn(CCC(=O)NCCN2CCC2)c(C)c1[N+](=O)[O-] ZINC000337314084 293799776 /nfs/dbraw/zinc/79/97/76/293799776.db2.gz HRZXZXDWNIXQIX-UHFFFAOYSA-N 0 1 295.343 0.620 20 5 CCBDMN C[C@H](O)CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000575986562 335138555 /nfs/dbraw/zinc/13/85/55/335138555.db2.gz KTDQJSGEIDMFMX-NSHDSACASA-N 0 1 280.328 0.883 20 5 CCBDMN C[C@@H]1CCN(C)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000576414361 335201492 /nfs/dbraw/zinc/20/14/92/335201492.db2.gz ZAVJEJQQXBDJQZ-MRVPVSSYSA-N 0 1 267.289 0.484 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2nccs2)c1 ZINC000581602891 336110184 /nfs/dbraw/zinc/11/01/84/336110184.db2.gz YTNVPWVKTCEJOB-VIFPVBQESA-N 0 1 283.313 0.399 20 5 CCBDMN Cc1noc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000428063042 534415794 /nfs/dbraw/zinc/41/57/94/534415794.db2.gz KSJHXEIXHDGTDL-UHFFFAOYSA-N 0 1 298.280 0.765 20 5 CCBDMN CN1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1=O ZINC000269177527 536456933 /nfs/dbraw/zinc/45/69/33/536456933.db2.gz KCQGZCKJIFLCFZ-SNVBAGLBSA-N 0 1 279.252 0.261 20 5 CCBDMN CC(C)[C@@](C)(CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000427399592 528866155 /nfs/dbraw/zinc/86/61/55/528866155.db2.gz NRIRUMSULFEQAO-SNVBAGLBSA-N 0 1 256.262 0.455 20 5 CCBDMN CCN1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@@H](C)C1=O ZINC000428741912 529135980 /nfs/dbraw/zinc/13/59/80/529135980.db2.gz FUDSDILLAQYGFG-QMMMGPOBSA-N 0 1 295.299 0.319 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000341794531 535997644 /nfs/dbraw/zinc/99/76/44/535997644.db2.gz YYJIHHUXIYRVDF-BDAKNGLRSA-N 0 1 282.300 0.866 20 5 CCBDMN COC(=O)C[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000514936690 536341171 /nfs/dbraw/zinc/34/11/71/536341171.db2.gz KRZXGGYSONEVQL-JTQLQIEISA-N 0 1 295.295 0.144 20 5 CCBDMN CNc1nc(C(=O)N2CC(N(C)C)C2)ccc1[N+](=O)[O-] ZINC000456001406 536423133 /nfs/dbraw/zinc/42/31/33/536423133.db2.gz MXKYXWLRZUSLBQ-UHFFFAOYSA-N 0 1 279.300 0.418 20 5 CCBDMN O=C1NCC2(CCN(CCn3cc([N+](=O)[O-])cn3)CC2)O1 ZINC000782004636 581284914 /nfs/dbraw/zinc/28/49/14/581284914.db2.gz OVYDVFZGSDQZSW-UHFFFAOYSA-N 0 1 295.299 0.366 20 5 CCBDMN C[C@@H]1CN(C)C(=O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000783757224 581359207 /nfs/dbraw/zinc/35/92/07/581359207.db2.gz VDAISHLJKKHSDH-MRVPVSSYSA-N 0 1 293.279 0.603 20 5 CCBDMN O=C(N[C@H](CO)C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000771030765 581783717 /nfs/dbraw/zinc/78/37/17/581783717.db2.gz JALJWHKXSQASMJ-LLVKDONJSA-N 0 1 290.279 0.972 20 5 CCBDMN O=[N+]([O-])c1cccc(F)c1Cn1cnc(-c2nn[nH]n2)n1 ZINC000738367981 582040046 /nfs/dbraw/zinc/04/00/46/582040046.db2.gz ALNCPLPSNYNBEN-UHFFFAOYSA-N 0 1 290.218 0.554 20 5 CCBDMN O=C([O-])N[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000738655768 582069027 /nfs/dbraw/zinc/06/90/27/582069027.db2.gz OUTLMESOVOKIKG-VIFPVBQESA-N 0 1 283.288 0.523 20 5 CCBDMN O=[N+]([O-])c1cc(Cl)cnc1-n1cnc(-c2nn[nH]n2)n1 ZINC000823634217 607382724 /nfs/dbraw/zinc/38/27/24/607382724.db2.gz DMYZHBBSIYFGIY-UHFFFAOYSA-N 0 1 293.634 0.404 20 5 CCBDMN O=C([O-])CC[N@@H+](Cn1nccc1[N+](=O)[O-])C1CCOCC1 ZINC000833236101 600721079 /nfs/dbraw/zinc/72/10/79/600721079.db2.gz LOMMQQJGIANVBS-UHFFFAOYSA-N 0 1 298.299 0.705 20 5 CCBDMN O=C([O-])CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000819463377 601011877 /nfs/dbraw/zinc/01/18/77/601011877.db2.gz YONVRZZLASHRTG-SECBINFHSA-N 0 1 280.284 0.951 20 5 CCBDMN CS(=O)(=O)[C@@H]1CCCC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842362996 617179739 /nfs/dbraw/zinc/17/97/39/617179739.db2.gz UGBLXLVUQWLIDO-ZYUZMQFOSA-N 0 1 291.325 0.551 20 5 CCBDMN O=C([O-])NC[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000832572264 603710621 /nfs/dbraw/zinc/71/06/21/603710621.db2.gz AMJMQURTCKUCCG-VIFPVBQESA-N 0 1 283.288 0.523 20 5 CCBDMN C[C@H]1C[NH+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)N1C(=O)[O-] ZINC000826059681 603996194 /nfs/dbraw/zinc/99/61/94/603996194.db2.gz YMWLRVGEMMQEQN-UWVGGRQHSA-N 0 1 297.315 0.864 20 5 CCBDMN C[N@H+](CC(=O)[O-])C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351100 605189322 /nfs/dbraw/zinc/18/93/22/605189322.db2.gz LHTFIBIVPITHJY-JTQLQIEISA-N 0 1 254.242 0.645 20 5 CCBDMN COc1cc(OC)cc([C@@H](O)CNCC[N+](=O)[O-])c1 ZINC000905341670 617211523 /nfs/dbraw/zinc/21/15/23/617211523.db2.gz QAZKOSPQTGMEIT-LBPRGKRZSA-N 0 1 270.285 0.604 20 5 CCBDMN CC(C)[C@@H](N)c1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000843150946 614119473 /nfs/dbraw/zinc/11/94/73/614119473.db2.gz WXIIWWUZJKYICO-LLVKDONJSA-N 0 1 293.283 0.844 20 5 CCBDMN COc1ccc(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000839709153 617247615 /nfs/dbraw/zinc/24/76/15/617247615.db2.gz NGQCLTSWKDHRHF-NXEZZACHSA-N 0 1 265.269 0.714 20 5 CCBDMN CC(C)(C)OC(=O)N1CC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905103232 613977978 /nfs/dbraw/zinc/97/79/78/613977978.db2.gz KOYWDWSTDMBDSL-SECBINFHSA-N 0 1 259.306 0.862 20 5 CCBDMN CC(C)(C)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1O ZINC000839722296 614040762 /nfs/dbraw/zinc/04/07/62/614040762.db2.gz YDRYVTOKLFTMBA-YTWAJWBKSA-N 0 1 270.329 0.907 20 5 CCBDMN CC(C)n1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC000848116932 614355842 /nfs/dbraw/zinc/35/58/42/614355842.db2.gz FFUBTEICWRQAQP-RKDXNWHRSA-N 0 1 253.262 0.140 20 5 CCBDMN CC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)CC1 ZINC000976644789 614492159 /nfs/dbraw/zinc/49/21/59/614492159.db2.gz XTWYQLLTXUQWNI-NZFPMDFQSA-N 0 1 293.323 0.025 20 5 CCBDMN CC1(C)CN(Cc2cccnc2[N+](=O)[O-])CCN1CCO ZINC000886158021 614676240 /nfs/dbraw/zinc/67/62/40/614676240.db2.gz PVJOQFCGKOFDDD-UHFFFAOYSA-N 0 1 294.355 0.878 20 5 CCBDMN CCOC(=O)C12CC(C1)CN2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856248342 615160478 /nfs/dbraw/zinc/16/04/78/615160478.db2.gz LLETWUGACONHCF-HLXSOGAOSA-N 0 1 268.269 0.206 20 5 CCBDMN CCOC(=O)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000847253187 615176083 /nfs/dbraw/zinc/17/60/83/615176083.db2.gz XMJMWDYYUKWGRG-NXEZZACHSA-N 0 1 272.301 0.842 20 5 CCBDMN CCN1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000883152714 615256931 /nfs/dbraw/zinc/25/69/31/615256931.db2.gz FIVJIFCGAOYNQY-SECBINFHSA-N 0 1 266.301 0.757 20 5 CCBDMN CCN1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000882488966 615257889 /nfs/dbraw/zinc/25/78/89/615257889.db2.gz KDOFRTQXIYWBAP-SECBINFHSA-N 0 1 264.285 0.814 20 5 CCBDMN CN(C)[C@@H](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000831631836 615973005 /nfs/dbraw/zinc/97/30/05/615973005.db2.gz BXRZIXAVPFLLLW-PRJMDXOYSA-N 0 1 283.250 0.650 20 5 CCBDMN CN1CCCC[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000851567388 616178878 /nfs/dbraw/zinc/17/88/78/616178878.db2.gz HLYFUEREFDTTCH-IVZWLZJFSA-N 0 1 270.285 0.453 20 5 CCBDMN CN1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823602831 616185351 /nfs/dbraw/zinc/18/53/51/616185351.db2.gz TXHVJPPSJWNQAN-CYBMUJFWSA-N 0 1 293.323 0.792 20 5 CCBDMN CNc1nccc(C(=O)OCc2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000848789767 616277438 /nfs/dbraw/zinc/27/74/38/616277438.db2.gz FJNWJLXRHFYRMA-UHFFFAOYSA-N 0 1 292.255 0.815 20 5 CCBDMN C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000928555241 616299762 /nfs/dbraw/zinc/29/97/62/616299762.db2.gz MMWJOEYBMDTECC-SECBINFHSA-N 0 1 265.269 0.734 20 5 CCBDMN C[N@H+]1CC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000928555241 616299763 /nfs/dbraw/zinc/29/97/63/616299763.db2.gz MMWJOEYBMDTECC-SECBINFHSA-N 0 1 265.269 0.734 20 5 CCBDMN COC(=O)[C@]12CCC[C@H]1N(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000874929404 616798022 /nfs/dbraw/zinc/79/80/22/616798022.db2.gz BYPWTRGEIJKGKD-PRFIWBCESA-N 0 1 282.296 0.596 20 5 CCBDMN CNC(=O)[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886005605 616813409 /nfs/dbraw/zinc/81/34/09/616813409.db2.gz FOYFWTGTCXXVPX-LLVKDONJSA-N 0 1 278.312 0.948 20 5 CCBDMN COC[C@](C)(CCO)NCc1cccnc1[N+](=O)[O-] ZINC000886037383 616824151 /nfs/dbraw/zinc/82/41/51/616824151.db2.gz IOFLZSLKACKHHI-LBPRGKRZSA-N 0 1 269.301 0.867 20 5 CCBDMN CNC(=O)c1cc(OC)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840310815 616902608 /nfs/dbraw/zinc/90/26/08/616902608.db2.gz GCQJOEAPHLDBKY-MWLCHTKSSA-N 0 1 293.279 0.659 20 5 CCBDMN COC(=O)[C@@H](CC(C)(C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000843681860 616954125 /nfs/dbraw/zinc/95/41/25/616954125.db2.gz QPBMCKNZLLFVIJ-IWSPIJDZSA-N 0 1 272.301 0.746 20 5 CCBDMN CO[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCOCC1 ZINC000842373477 617169999 /nfs/dbraw/zinc/16/99/99/617169999.db2.gz OJQWUIMBNUZAPJ-MXWKQRLJSA-N 0 1 273.285 0.636 20 5 CCBDMN O=[N+]([O-])CCNCc1ccc(N2CCOCC2)cc1 ZINC000905063309 634795283 /nfs/dbraw/zinc/79/52/83/634795283.db2.gz XXTSVWSFFRMMCT-UHFFFAOYSA-N 0 1 265.313 0.890 20 5 CCBDMN O=[N+]([O-])CCN[C@@H]1CCN(c2ncccc2F)C1 ZINC000905160601 634804076 /nfs/dbraw/zinc/80/40/76/634804076.db2.gz PEMOKJOEOSUDCZ-SECBINFHSA-N 0 1 254.265 0.666 20 5 CCBDMN O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC000978479747 630813169 /nfs/dbraw/zinc/81/31/69/630813169.db2.gz VKCHTDBPBIXRTA-APHKKCJPSA-N 0 1 281.312 0.073 20 5 CCBDMN O=[N+]([O-])CCN[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000905364304 634854268 /nfs/dbraw/zinc/85/42/68/634854268.db2.gz DDXMJCCTKGHCOJ-NEPJUHHUSA-N 0 1 254.286 0.337 20 5 CCBDMN O=C(OCc1ncn(-c2ccccc2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000840669888 631605285 /nfs/dbraw/zinc/60/52/85/631605285.db2.gz MTOWCXKYQHRZKB-GHMZBOCLSA-N 0 1 288.263 0.976 20 5 CCBDMN O=C(NC[C@@H]1CC2(CCC2)CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000894403860 631755117 /nfs/dbraw/zinc/75/51/17/631755117.db2.gz RNDCNTXITBTFDG-IVZWLZJFSA-N 0 1 254.286 0.727 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840505643 631759149 /nfs/dbraw/zinc/75/91/49/631759149.db2.gz NQLSZIUWQUUWEC-FDYHWXHSSA-N 0 1 276.292 0.986 20 5 CCBDMN O=[N+]([O-])CCN[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000905405050 634859801 /nfs/dbraw/zinc/85/98/01/634859801.db2.gz NXFRIFNKJIJEJN-UMSPYCQHSA-N 0 1 284.337 0.858 20 5 CCBDMN O=C(NC[C@H](O)Cc1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000899333843 633804458 /nfs/dbraw/zinc/80/44/58/633804458.db2.gz TUXNPCIWAVRIAC-IJLUTSLNSA-N 0 1 282.271 0.511 20 5 CCBDMN Cn1c(C(=O)NC23CCN(CC2)C3)ccc1[N+](=O)[O-] ZINC000913626396 637388630 /nfs/dbraw/zinc/38/86/30/637388630.db2.gz PQTSXLWMQMRWQE-UHFFFAOYSA-N 0 1 264.285 0.511 20 5 CCBDMN O=C(NC12CCN(CC1)C2)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000913635009 637393244 /nfs/dbraw/zinc/39/32/44/637393244.db2.gz NBNUNHZEQSDFNB-GFCCVEGCSA-N 0 1 291.307 0.593 20 5 CCBDMN Cc1ccc([C@H](O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839529742 640321930 /nfs/dbraw/zinc/32/19/30/640321930.db2.gz ZLRLSOFECAEDNC-IJLUTSLNSA-N 0 1 264.281 0.810 20 5 CCBDMN O=C(NC[C@H](O)C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839640287 640350431 /nfs/dbraw/zinc/35/04/31/640350431.db2.gz JEAOCPNZEBUQHQ-MXWKQRLJSA-N 0 1 256.302 0.709 20 5 CCBDMN O=C(NCc1ccc(O)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839687452 640350629 /nfs/dbraw/zinc/35/06/29/640350629.db2.gz GCZLRHABMBFLIK-VXNVDRBHSA-N 0 1 254.217 0.813 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000839701631 640351807 /nfs/dbraw/zinc/35/18/07/640351807.db2.gz RVGYNUCBRJFRBD-ZNSHCXBVSA-N 0 1 270.285 0.058 20 5 CCBDMN O=C(N[C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839678203 640352840 /nfs/dbraw/zinc/35/28/40/640352840.db2.gz ZSDAHGOQALGKQU-GRYCIOLGSA-N 0 1 289.291 0.573 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCS[C@H]2COCC[C@@H]21 ZINC000839708556 640355888 /nfs/dbraw/zinc/35/58/88/640355888.db2.gz XYMNOHNIZFBTKH-RGOKHQFPSA-N 0 1 272.326 0.385 20 5 CCBDMN O=C(N[C@@H](CO)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839725628 640358639 /nfs/dbraw/zinc/35/86/39/640358639.db2.gz SWQULLWAIIANNT-OUAUKWLOSA-N 0 1 250.254 0.501 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000839761943 640359740 /nfs/dbraw/zinc/35/97/40/640359740.db2.gz MZDIODXCYLROEM-ZNSHCXBVSA-N 0 1 270.285 0.058 20 5 CCBDMN O=C(N[C@@H](CO)c1ccsc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839729499 640359897 /nfs/dbraw/zinc/35/98/97/640359897.db2.gz ZJHRUGHHFFRYNY-HRDYMLBCSA-N 0 1 256.283 0.563 20 5 CCBDMN C[C@@H](c1ccccc1)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(N)=O ZINC000839777592 640364408 /nfs/dbraw/zinc/36/44/08/640364408.db2.gz TZGFQQHADUGFSI-GMNPVEAJSA-N 0 1 291.307 0.425 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000839779903 640364810 /nfs/dbraw/zinc/36/48/10/640364810.db2.gz NREFNJCVNNHGLZ-PRULPYPASA-N 0 1 266.297 0.822 20 5 CCBDMN C[C@H](CS(C)(=O)=O)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840347691 641270856 /nfs/dbraw/zinc/27/08/56/641270856.db2.gz XBXOZDHCRIUCCW-SZEHBUNVSA-N 0 1 290.341 0.076 20 5 CCBDMN O=C(Nc1ccc(OCCO)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840399688 641437669 /nfs/dbraw/zinc/43/76/69/641437669.db2.gz PXAZUNSUSJOWNA-GHMZBOCLSA-N 0 1 266.253 0.661 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000840415758 641573685 /nfs/dbraw/zinc/57/36/85/641573685.db2.gz HXBVTRSXAJSNOI-ZDCRXTMVSA-N 0 1 282.296 0.248 20 5 CCBDMN O=C(NCCOC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccnc1 ZINC000842307592 642890355 /nfs/dbraw/zinc/89/03/55/642890355.db2.gz PJPKUQPPGNKZFY-NXEZZACHSA-N 0 1 279.252 0.020 20 5 CCBDMN O=C(OC[C@@H]1COc2cccnc2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000842368290 642893622 /nfs/dbraw/zinc/89/36/22/642893622.db2.gz UGTSEYDXHUUJJV-DJLDLDEBSA-N 0 1 280.236 0.430 20 5 CCBDMN Cn1ccnc1[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)CO ZINC000855114398 644288384 /nfs/dbraw/zinc/28/83/84/644288384.db2.gz MAIXGXLGBRZECM-BBBLOLIVSA-N 0 1 296.327 0.261 20 5 CCBDMN C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ncnn21 ZINC000855324382 644304026 /nfs/dbraw/zinc/30/40/26/644304026.db2.gz ZWGMFOUJWDYMEY-FKSUSPILSA-N 0 1 251.246 0.065 20 5 CCBDMN O=C(NC[C@H]1CCc2cccnc21)[C@@H]1CC1[N+](=O)[O-] ZINC000857969996 644585852 /nfs/dbraw/zinc/58/58/52/644585852.db2.gz MSPZFMBMNCLCIB-GMTAPVOTSA-N 0 1 261.281 0.893 20 5 CCBDMN C[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])COc2ccccc2O1 ZINC000862401144 644996879 /nfs/dbraw/zinc/99/68/79/644996879.db2.gz LRZYOCKLXUSYFO-GPCCPHFNSA-N 0 1 292.291 0.998 20 5 CCBDMN O=[N+]([O-])c1cccc(CN[C@H]2CCS(=O)(=O)C2)c1 ZINC000020038545 646398114 /nfs/dbraw/zinc/39/81/14/646398114.db2.gz KLEUYWKBWUBGOO-JTQLQIEISA-N 0 1 270.310 0.872 20 5 CCBDMN C[S@@](=O)CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000879270838 647041782 /nfs/dbraw/zinc/04/17/82/647041782.db2.gz BFYIMNZXTTXIRM-CWTRNNRKSA-N 0 1 286.353 0.770 20 5 CCBDMN O=C(NC[C@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000927570092 648570548 /nfs/dbraw/zinc/57/05/48/648570548.db2.gz SIHWXWHRQGCDKY-XUTVFYLZSA-N 0 1 282.218 0.878 20 5 CCBDMN Cc1ccnc(N2C[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000153141258 719380155 /nfs/dbraw/zinc/38/01/55/719380155.db2.gz NNAGHIUDIABIBD-WDEREUQCSA-N 0 1 278.312 0.817 20 5 CCBDMN COc1c(O[C@@H](C)C[N+](C)(C)C)nc(C)[n-]c1=O ZINC001230027026 805577190 /nfs/dbraw/zinc/57/71/90/805577190.db2.gz UNYRWJVWRMAIQM-QMMMGPOBSA-O 0 1 256.326 0.973 20 5 CCBDMN Cc1nc(C(N)=O)c(O[C@H](C)C[N+](C)(C)C)c(=O)[n-]1 ZINC001234479248 806258272 /nfs/dbraw/zinc/25/82/72/806258272.db2.gz YDTBYFHJNDFIRB-SSDOTTSWSA-O 0 1 269.325 0.063 20 5 CCBDMN Cc1noc([C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001140325071 799904465 /nfs/dbraw/zinc/90/44/65/799904465.db2.gz GFAQOPWOUXBIKX-HRDYMLBCSA-N 0 1 266.257 0.707 20 5 CCBDMN Nc1ccc(NC(=O)Cc2nc[nH]n2)cc1[N+](=O)[O-] ZINC001141767460 800033274 /nfs/dbraw/zinc/03/32/74/800033274.db2.gz LBTBXGHVHJRFMD-UHFFFAOYSA-N 0 1 262.229 0.476 20 5 CCBDMN O=C(N[C@@H](CCO)C1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001157018663 801287627 /nfs/dbraw/zinc/28/76/27/801287627.db2.gz ACRQJYCOPPHOLE-VIFPVBQESA-N 0 1 282.300 0.989 20 5 CCBDMN Cc1ncc([N+](=O)[O-])c(NC[C@H]2COCCN2)n1 ZINC001159042100 801747411 /nfs/dbraw/zinc/74/74/11/801747411.db2.gz CABRCRXJFZOBHN-QMMMGPOBSA-N 0 1 253.262 0.094 20 5 CCBDMN Cc1nc(NC[C@@H](C)N2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001162431096 802338637 /nfs/dbraw/zinc/33/86/37/802338637.db2.gz POVFQLFBCQWAIU-SNVBAGLBSA-N 0 1 294.359 0.741 20 5 CCBDMN CCOC(=O)c1c(CN)ncn1-c1cccnc1[N+](=O)[O-] ZINC001162537293 802363204 /nfs/dbraw/zinc/36/32/04/802363204.db2.gz JFACSBPHLYHWDA-UHFFFAOYSA-N 0 1 291.267 0.811 20 5 CCBDMN COc1cnc(-n2c(C)nnc2CN)c([N+](=O)[O-])c1 ZINC001163348549 802542106 /nfs/dbraw/zinc/54/21/06/802542106.db2.gz HBDJIVDNILDYMR-UHFFFAOYSA-N 0 1 264.245 0.346 20 5 CCBDMN Cc1nnc(CN)n1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001163348829 802542208 /nfs/dbraw/zinc/54/22/08/802542208.db2.gz VRODKUYXKUEZMF-UHFFFAOYSA-N 0 1 273.256 0.819 20 5 CCBDMN Cc1nnc(CN)n1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001163353811 802545962 /nfs/dbraw/zinc/54/59/62/802545962.db2.gz OTKKFEWDSBZUSA-UHFFFAOYSA-N 0 1 285.267 0.886 20 5 CCBDMN NC(=O)c1ccnc(N[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001163387610 802550123 /nfs/dbraw/zinc/55/01/23/802550123.db2.gz AVUIEOSUABRZMU-JTQLQIEISA-N 0 1 291.311 0.595 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2ncccc2[N+](=O)[O-])S1 ZINC001163667431 802588708 /nfs/dbraw/zinc/58/87/08/802588708.db2.gz UBUUZCQUQAGNCQ-ZETCQYMHSA-N 0 1 254.227 0.711 20 5 CCBDMN O=C(NCCNc1nccnc1[N+](=O)[O-])C(F)(F)F ZINC001164238226 802694644 /nfs/dbraw/zinc/69/46/44/802694644.db2.gz PHHUOUDPXPMOBX-UHFFFAOYSA-N 0 1 279.178 0.475 20 5 CCBDMN Cc1nc(OC[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218433211 803956901 /nfs/dbraw/zinc/95/69/01/803956901.db2.gz GSPSEDIOWSTDFZ-KNVOCYPGSA-N 0 1 255.230 0.549 20 5 CCBDMN O=c1nc(O[C@@H](C[N+](=O)[O-])C2CC2)c2c([nH]1)COC2 ZINC001227686440 805380805 /nfs/dbraw/zinc/38/08/05/805380805.db2.gz PPETVTZRDUHPTM-VIFPVBQESA-N 0 1 267.241 0.647 20 5 CCBDMN C[C@H](CON)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228610789 805459551 /nfs/dbraw/zinc/45/95/51/805459551.db2.gz ZMKJAERWUXMNRS-RXMQYKEDSA-N 0 1 270.245 0.625 20 5 CCBDMN C[C@@H](O)[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC001161585488 815219091 /nfs/dbraw/zinc/21/90/91/815219091.db2.gz BYQRZQRUAJOOCA-PELKAZGASA-N 0 1 296.279 0.522 20 5 CCBDMN COC(=O)[C@@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC001261369651 808961995 /nfs/dbraw/zinc/96/19/95/808961995.db2.gz ILUSHMWUEXQXKB-GYSYKLTISA-N 0 1 292.291 0.856 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1ncnc(Cl)c1[N+](=O)[O-] ZINC001167671408 811110012 /nfs/dbraw/zinc/11/00/12/811110012.db2.gz DKNNJYSRRQBPAW-UHFFFAOYSA-N 0 1 295.690 0.470 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1cc([N+](=O)[O-])c2nccn2c1 ZINC001167674503 811188430 /nfs/dbraw/zinc/18/84/30/811188430.db2.gz SVRZOWFXHKSYRR-UHFFFAOYSA-N 0 1 299.294 0.675 20 5 CCBDMN CC[C@@H]1[C@H](CO)CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC001141551397 813740267 /nfs/dbraw/zinc/74/02/67/813740267.db2.gz ZTPQARZMIBDBCE-DTWKUNHWSA-N 0 1 282.300 0.859 20 5 CCBDMN CN(C1COC1)C1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169032944 836108131 /nfs/dbraw/zinc/10/81/31/836108131.db2.gz AATJTGCCZWLGRM-GHMZBOCLSA-N 0 1 269.345 0.447 20 5 CCBDMN COC[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169037040 836109665 /nfs/dbraw/zinc/10/96/65/836109665.db2.gz HYUJWWDHKACAJG-TUAOUCFPSA-N 0 1 258.318 0.779 20 5 CCBDMN CC(=O)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169018803 836113607 /nfs/dbraw/zinc/11/36/07/836113607.db2.gz DZGAGNMBLKLPQT-VXGBXAGGSA-N 0 1 255.318 0.596 20 5 CCBDMN CCOc1cnc(NC[C@H]2COCCN2)c([N+](=O)[O-])c1 ZINC001170035625 836756272 /nfs/dbraw/zinc/75/62/72/836756272.db2.gz NIWLNERMJMGUNU-VIFPVBQESA-N 0 1 282.300 0.789 20 5 CCBDMN CC[C@](N)(CO)Nc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001170865993 839469631 /nfs/dbraw/zinc/46/96/31/839469631.db2.gz RVZAESNDLCKVGJ-LLVKDONJSA-N 0 1 265.273 0.712 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CC[C@H](c2nc[nH]n2)C1 ZINC001186757077 844596016 /nfs/dbraw/zinc/59/60/16/844596016.db2.gz JQRCAXUXCFZUCM-ZETCQYMHSA-N 0 1 263.261 0.440 20 5 CCBDMN Cc1ccnc(NCCNC(=O)c2cnn[nH]2)c1[N+](=O)[O-] ZINC001094243503 841568500 /nfs/dbraw/zinc/56/85/00/841568500.db2.gz RPNLXUAFULLUQF-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN COc1c(O)ccc(CN[C@H]2C[C@H](O)C2)c1[N+](=O)[O-] ZINC001183053192 843961292 /nfs/dbraw/zinc/96/12/92/843961292.db2.gz JPBHATKFENJJJF-KYZUINATSA-N 0 1 268.269 0.922 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(NC(N)=O)CC1 ZINC001191382073 845636237 /nfs/dbraw/zinc/63/62/37/845636237.db2.gz QOBLXQSPGVSQQY-UHFFFAOYSA-N 0 1 296.331 0.232 20 5 CCBDMN NC(=O)C1(NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001192930862 845939685 /nfs/dbraw/zinc/93/96/85/845939685.db2.gz ZRVUEBFUNXBQEY-UHFFFAOYSA-N 0 1 292.295 0.531 20 5 CCBDMN C[N@H+]1CC[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC001202230995 847876203 /nfs/dbraw/zinc/87/62/03/847876203.db2.gz YJRCNTSUUUQXBM-MRVPVSSYSA-N 0 1 265.273 0.237 20 5 CCBDMN CN1CC[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC001202230995 847876212 /nfs/dbraw/zinc/87/62/12/847876212.db2.gz YJRCNTSUUUQXBM-MRVPVSSYSA-N 0 1 265.273 0.237 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCOC2CCC2)C1 ZINC001042710833 850740255 /nfs/dbraw/zinc/74/02/55/850740255.db2.gz LKFOUUQELPVXNM-CHWSQXEVSA-N 0 1 297.355 0.363 20 5 CCBDMN CCc1nc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001326488674 913985988 /nfs/dbraw/zinc/98/59/88/913985988.db2.gz MGUKJEWLACATQE-SNVBAGLBSA-N 0 1 291.267 0.947 20 5 CCBDMN CCc1n[nH]c(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001326488674 913986000 /nfs/dbraw/zinc/98/60/00/913986000.db2.gz MGUKJEWLACATQE-SNVBAGLBSA-N 0 1 291.267 0.947 20 5 CCBDMN C/C=C(/C)C(=O)N(CC)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001294449237 900258400 /nfs/dbraw/zinc/25/84/00/900258400.db2.gz VNSWHYZARRUQLW-QJJZASRKSA-N 0 1 297.355 0.973 20 5 CCBDMN O=C([O-])[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C1CC1 ZINC001327375809 914505676 /nfs/dbraw/zinc/50/56/76/914505676.db2.gz PJAXXDWIPJVDMR-WDEREUQCSA-N 0 1 294.311 0.834 20 5 CCBDMN O=C(Cc1ccsc1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491079932 903340463 /nfs/dbraw/zinc/34/04/63/903340463.db2.gz UGBBPJBYGUOQAK-NXEZZACHSA-N 0 1 297.336 0.188 20 5 CCBDMN C/C=C(/C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC001284156379 905162835 /nfs/dbraw/zinc/16/28/35/905162835.db2.gz COHUYOWJPDMEBL-CRXHBPEPSA-N 0 1 293.323 0.191 20 5 CCBDMN CC(C)CC(=O)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001296574347 906936741 /nfs/dbraw/zinc/93/67/41/906936741.db2.gz IPYWNZIVALFOCP-VXGBXAGGSA-N 0 1 297.355 0.805 20 5 CCBDMN O=C(N[C@H](CO)c1cc(F)ccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001305534709 908207797 /nfs/dbraw/zinc/20/77/97/908207797.db2.gz NIURBUUBZCMSSV-FBIMIBRVSA-N 0 1 286.234 0.780 20 5 CCBDMN CCN1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)C[C@@H]1C ZINC001338834289 921587605 /nfs/dbraw/zinc/58/76/05/921587605.db2.gz YCWFHNHJKMZGTI-UWVGGRQHSA-N 0 1 282.348 0.683 20 5 CCBDMN C[C@@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ncnn21 ZINC001328376318 915149982 /nfs/dbraw/zinc/14/99/82/915149982.db2.gz WGFPSODTTZCPLZ-RITPCOANSA-N 0 1 277.244 0.345 20 5 CCBDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001328783261 915431447 /nfs/dbraw/zinc/43/14/47/915431447.db2.gz KJQZZSILJXUGNU-IUCAKERBSA-N 0 1 268.273 0.586 20 5 CCBDMN COCc1nc(CNC(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC001329384449 915864367 /nfs/dbraw/zinc/86/43/67/915864367.db2.gz VVPRJFHAOYEINU-UHFFFAOYSA-N 0 1 291.267 0.789 20 5 CCBDMN COCc1nnc(CNC(=O)c2ccccc2[N+](=O)[O-])[nH]1 ZINC001329384449 915864381 /nfs/dbraw/zinc/86/43/81/915864381.db2.gz VVPRJFHAOYEINU-UHFFFAOYSA-N 0 1 291.267 0.789 20 5 CCBDMN O=C(COc1cccc([N+](=O)[O-])c1)NCCN1CC=CC1 ZINC001329583317 916036144 /nfs/dbraw/zinc/03/61/44/916036144.db2.gz QMIVYSNYCYJFTD-UHFFFAOYSA-N 0 1 291.307 0.962 20 5 CCBDMN C[C@@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CNCCO1 ZINC001330592526 916726876 /nfs/dbraw/zinc/72/68/76/916726876.db2.gz DIYQJBARAFTVGE-AWEZNQCLSA-N 0 1 291.307 0.816 20 5 CCBDMN O=C(Nc1ccnc2ccncc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001331380897 917296642 /nfs/dbraw/zinc/29/66/42/917296642.db2.gz NOWWGWKZDQXHSZ-RDDDGLTNSA-N 0 1 258.237 0.655 20 5 CCBDMN Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2CC[N+](=O)[O-])cn1 ZINC001332698752 918391952 /nfs/dbraw/zinc/39/19/52/918391952.db2.gz QRRMACNYMJDUPB-RYUDHWBXSA-N 0 1 268.317 0.585 20 5 CCBDMN Cn1cc([C@@H](O)C[C@@H]2CCCN2CC[N+](=O)[O-])cn1 ZINC001332698752 918391967 /nfs/dbraw/zinc/39/19/67/918391967.db2.gz QRRMACNYMJDUPB-RYUDHWBXSA-N 0 1 268.317 0.585 20 5 CCBDMN C[NH+](C)C[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001334068909 919349553 /nfs/dbraw/zinc/34/95/53/919349553.db2.gz CLKRKYUDLHNPRJ-NSHDSACASA-N 0 1 267.285 0.699 20 5 CCBDMN COC[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC001342294313 922899488 /nfs/dbraw/zinc/89/94/88/922899488.db2.gz IRVKKFLBDSXJKS-GFCCVEGCSA-N 0 1 293.323 0.964 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(CCOCC2)CC[C@@H]1CO ZINC001347320267 924422268 /nfs/dbraw/zinc/42/22/68/924422268.db2.gz PVQRHXOYQLGGQK-IJLUTSLNSA-N 0 1 298.339 0.432 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N[C@@H]1CN2CCC1CC2 ZINC001354313338 926079817 /nfs/dbraw/zinc/07/98/17/926079817.db2.gz MMJVXPGVBSCPBW-SECBINFHSA-N 0 1 251.290 0.834 20 5 CCBDMN CCOC[C@@H](C(=O)[O-])[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC001596884809 985777356 /nfs/dbraw/zinc/77/73/56/985777356.db2.gz PPQXKYNWQNHVJZ-JTQLQIEISA-N 0 1 286.288 0.213 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCc2nc[nH]c2C1 ZINC000599950094 361839875 /nfs/dbraw/zinc/83/98/75/361839875.db2.gz XLVVVVBKWUMIJP-UHFFFAOYSA-N 0 1 261.241 0.845 20 5 CCBDMN Nc1nccc(C(=O)N2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000599951677 361841272 /nfs/dbraw/zinc/84/12/72/361841272.db2.gz HCEZUFZVMDHYPX-UHFFFAOYSA-N 0 1 288.267 0.324 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCc2nc[nH]c2C1 ZINC000599952332 361841427 /nfs/dbraw/zinc/84/14/27/361841427.db2.gz KZMNFZOIWMDUNK-UHFFFAOYSA-N 0 1 261.241 0.845 20 5 CCBDMN CC1(C)OC[C@H]2C[C@]21NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600253636 361903556 /nfs/dbraw/zinc/90/35/56/361903556.db2.gz DLJPDZRTHPCQPV-KBUNVGBDSA-N 0 1 266.257 0.615 20 5 CCBDMN O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000600523216 362004145 /nfs/dbraw/zinc/00/41/45/362004145.db2.gz VFPNEECVTJKPTA-IONNQARKSA-N 0 1 266.257 0.615 20 5 CCBDMN COC[C@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000263225897 536862584 /nfs/dbraw/zinc/86/25/84/536862584.db2.gz GMXKVODRPVJOFV-NSHDSACASA-N 0 1 282.300 0.097 20 5 CCBDMN C[C@H]1CCN(C)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000576414367 335201484 /nfs/dbraw/zinc/20/14/84/335201484.db2.gz ZAVJEJQQXBDJQZ-QMMMGPOBSA-N 0 1 267.289 0.484 20 5 CCBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1COCCN1 ZINC000602549104 362673502 /nfs/dbraw/zinc/67/35/02/362673502.db2.gz BTWDWCUMVTYZAH-LBPRGKRZSA-N 0 1 293.323 0.632 20 5 CCBDMN CN(C)CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000119958671 349964004 /nfs/dbraw/zinc/96/40/04/349964004.db2.gz YDDNTQNHYSEYEL-UHFFFAOYSA-N 0 1 251.286 0.815 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](OCCO)C1 ZINC000602776839 362793978 /nfs/dbraw/zinc/79/39/78/362793978.db2.gz BDHXFZKGVVZXHB-LBPRGKRZSA-N 0 1 298.343 0.573 20 5 CCBDMN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000264311927 137069126 /nfs/dbraw/zinc/06/91/26/137069126.db2.gz HBEIUSZQWACNGT-QWRGUYRKSA-N 0 1 280.328 0.881 20 5 CCBDMN O=C(N[C@H]1CCc2n[nH]cc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000343382079 137131631 /nfs/dbraw/zinc/13/16/31/137131631.db2.gz DNBSCMBLKRMALT-ZETCQYMHSA-N 0 1 276.256 0.328 20 5 CCBDMN COc1cc(CN2C[C@@H](O)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602896108 362871607 /nfs/dbraw/zinc/87/16/07/362871607.db2.gz CPBVBMGSNGUFQV-SMDDNHRTSA-N 0 1 296.323 0.921 20 5 CCBDMN CC(C)CN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000044669962 348324466 /nfs/dbraw/zinc/32/44/66/348324466.db2.gz GUEWTJUNSZYIGM-UHFFFAOYSA-N 0 1 295.343 0.592 20 5 CCBDMN O=[N+]([O-])c1ccc(N2CCN(CCCO)CC2)cn1 ZINC000045915546 348345930 /nfs/dbraw/zinc/34/59/30/348345930.db2.gz ODRNTCSXVRGTKI-UHFFFAOYSA-N 0 1 266.301 0.494 20 5 CCBDMN CN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000046406913 348356659 /nfs/dbraw/zinc/35/66/59/348356659.db2.gz YXIDMWTUAGURET-UHFFFAOYSA-N 0 1 293.327 0.200 20 5 CCBDMN C[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000347616785 137345839 /nfs/dbraw/zinc/34/58/39/137345839.db2.gz VOLYNEABILZNDS-YFKPBYRVSA-N 0 1 265.316 0.282 20 5 CCBDMN Cc1c(CN(CCO)CCO)cccc1[N+](=O)[O-] ZINC000050103396 348466380 /nfs/dbraw/zinc/46/63/80/348466380.db2.gz IMBRVWYYMSECGN-UHFFFAOYSA-N 0 1 254.286 0.690 20 5 CCBDMN C[C@H](O)[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000412090428 233045137 /nfs/dbraw/zinc/04/51/37/233045137.db2.gz PGDGUGQVVVOLCS-TVQRCGJNSA-N 0 1 282.296 0.882 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000080543605 349217279 /nfs/dbraw/zinc/21/72/79/349217279.db2.gz XKHMFOCPVSIWCZ-UHFFFAOYSA-N 0 1 291.267 0.750 20 5 CCBDMN CNc1ccc(C(=O)NCCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000080633379 349223663 /nfs/dbraw/zinc/22/36/63/349223663.db2.gz XZPCFPXFEWSNEE-UHFFFAOYSA-N 0 1 290.283 0.727 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000089461344 349388629 /nfs/dbraw/zinc/38/86/29/349388629.db2.gz QDUDWULWGWOXHU-IONNQARKSA-N 0 1 282.300 0.723 20 5 CCBDMN CN1C(=O)CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1=O ZINC000090026174 349421932 /nfs/dbraw/zinc/42/19/32/349421932.db2.gz NCELGZNFMGXOQO-LLVKDONJSA-N 0 1 277.280 0.832 20 5 CCBDMN COCC[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130474221 350238722 /nfs/dbraw/zinc/23/87/22/350238722.db2.gz RBWCPXOYWHCAKG-UHFFFAOYSA-N 0 1 297.311 0.608 20 5 CCBDMN Cn1ncc(Cl)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000132212156 350300679 /nfs/dbraw/zinc/30/06/79/350300679.db2.gz UFAIYJGLDRJSEG-UHFFFAOYSA-N 0 1 284.707 0.968 20 5 CCBDMN CCOC(=O)[C@@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000133891901 350347190 /nfs/dbraw/zinc/34/71/90/350347190.db2.gz MNBAFAFUTIYLCV-LURJTMIESA-N 0 1 270.245 0.247 20 5 CCBDMN CCOC(=O)C[C@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000134358395 350361677 /nfs/dbraw/zinc/36/16/77/350361677.db2.gz BHUJJLNGKZBLGG-ZETCQYMHSA-N 0 1 284.272 0.637 20 5 CCBDMN Cc1nn(C)c(C(=O)N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000135637796 350405227 /nfs/dbraw/zinc/40/52/27/350405227.db2.gz XEYZCVJYVUGUSS-UHFFFAOYSA-N 0 1 267.289 0.023 20 5 CCBDMN C[C@@H](CCN1CCOCC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000157330640 350643355 /nfs/dbraw/zinc/64/33/55/350643355.db2.gz FHHXNCYXYWTJIR-VIFPVBQESA-N 0 1 297.315 0.159 20 5 CCBDMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000170873781 350870726 /nfs/dbraw/zinc/87/07/26/350870726.db2.gz SGDNOZOTMRYEOL-LLVKDONJSA-N 0 1 299.352 0.919 20 5 CCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1COCCN1 ZINC000236398531 352193924 /nfs/dbraw/zinc/19/39/24/352193924.db2.gz WESMYJHVEKWBBW-NSHDSACASA-N 0 1 279.296 0.242 20 5 CCBDMN Cc1nc(CCNc2ncc([N+](=O)[O-])c(N)n2)n[nH]1 ZINC000267526451 352771907 /nfs/dbraw/zinc/77/19/07/352771907.db2.gz SKXDNWXILALSPW-UHFFFAOYSA-N 0 1 264.249 0.048 20 5 CCBDMN Cc1nnc(CCNc2ncc([N+](=O)[O-])c(N)n2)[nH]1 ZINC000267526451 352771910 /nfs/dbraw/zinc/77/19/10/352771910.db2.gz SKXDNWXILALSPW-UHFFFAOYSA-N 0 1 264.249 0.048 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CC[C@H](C)O)c1[N+](=O)[O-] ZINC000268112010 352808898 /nfs/dbraw/zinc/80/88/98/352808898.db2.gz OVWFHDUSUKEDRV-LURJTMIESA-N 0 1 256.262 0.469 20 5 CCBDMN O=C(N[C@@H]1CCCc2c[nH]nc21)c1n[nH]cc1[N+](=O)[O-] ZINC000270860058 352996616 /nfs/dbraw/zinc/99/66/16/352996616.db2.gz LSOTUHGQVUMOCA-SSDOTTSWSA-N 0 1 276.256 0.848 20 5 CCBDMN CCN(CCO)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272631860 353080433 /nfs/dbraw/zinc/08/04/33/353080433.db2.gz WHTJRWRZPHFZQG-UHFFFAOYSA-N 0 1 254.242 0.755 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)Cc2noc(C)n2)c1[N+](=O)[O-] ZINC000272699641 353085915 /nfs/dbraw/zinc/08/59/15/353085915.db2.gz RSYCDXBPCJWICS-UHFFFAOYSA-N 0 1 294.271 0.844 20 5 CCBDMN COC[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)OC ZINC000272699549 353086116 /nfs/dbraw/zinc/08/61/16/353086116.db2.gz RQOBRHUMIAPYIL-NSHDSACASA-N 0 1 284.268 0.692 20 5 CCBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@H](C)CN1CCO ZINC000418995654 234282117 /nfs/dbraw/zinc/28/21/17/234282117.db2.gz DEAOATWSWVELLQ-GHMZBOCLSA-N 0 1 280.328 0.881 20 5 CCBDMN CCN(CC(=O)N(C)C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000604546063 363203182 /nfs/dbraw/zinc/20/31/82/363203182.db2.gz OHEUDGCSKPJMAP-UHFFFAOYSA-N 0 1 283.288 0.177 20 5 CCBDMN Cc1nn(CCC(=O)N2CC(N(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000158279506 188367217 /nfs/dbraw/zinc/36/72/17/188367217.db2.gz IJBDMJODUBVHCV-UHFFFAOYSA-N 0 1 295.343 0.571 20 5 CCBDMN CCN1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C1 ZINC000286499630 353591313 /nfs/dbraw/zinc/59/13/13/353591313.db2.gz YCPCCLFZKSXYDI-QMMMGPOBSA-N 0 1 266.305 0.497 20 5 CCBDMN Cc1nn(C)c(C(=O)N2CCC3(CN(C)C3)C2)c1[N+](=O)[O-] ZINC000619251854 366224415 /nfs/dbraw/zinc/22/44/15/366224415.db2.gz SEMIXVIVJYUUEK-UHFFFAOYSA-N 0 1 293.327 0.414 20 5 CCBDMN CC[C@@H]1CO[C@@H](C)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331283830 354517512 /nfs/dbraw/zinc/51/75/12/354517512.db2.gz WRLGLVQECLFVBO-DMDPSCGWSA-N 0 1 298.343 0.652 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN(CCO)CCO ZINC000338962628 355461921 /nfs/dbraw/zinc/46/19/21/355461921.db2.gz UXWNJWUGJKWDIR-UHFFFAOYSA-N 0 1 256.258 0.087 20 5 CCBDMN COC[C@](C)(NCc1cc(O)ccc1[N+](=O)[O-])C(=O)OC ZINC000339060716 355478965 /nfs/dbraw/zinc/47/89/65/355478965.db2.gz NKMDXFYKRLRVOX-ZDUSSCGKSA-N 0 1 298.295 0.968 20 5 CCBDMN O=C(Cc1ccccc1[N+](=O)[O-])NC1(c2nn[nH]n2)CC1 ZINC000348272012 355900247 /nfs/dbraw/zinc/90/02/47/355900247.db2.gz BBBMNIUFLSPLFA-UHFFFAOYSA-N 0 1 288.267 0.456 20 5 CCBDMN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000362080542 138046115 /nfs/dbraw/zinc/04/61/15/138046115.db2.gz XRFBIJDLXPLBMW-JOYOIKCWSA-N 0 1 293.323 0.754 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCO[C@@H]3CCC[C@H]32)c1 ZINC000363326233 138089585 /nfs/dbraw/zinc/08/95/85/138089585.db2.gz SSZBIQPEKLOAFS-JHJVBQTASA-N 0 1 296.327 0.406 20 5 CCBDMN CC[N@@H+](CCO)CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354768822 356493558 /nfs/dbraw/zinc/49/35/58/356493558.db2.gz YSEMUFOFFCANOY-UHFFFAOYSA-N 0 1 297.311 0.344 20 5 CCBDMN CC(C)(C(=O)NCc1cnc[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000359700259 356873997 /nfs/dbraw/zinc/87/39/97/356873997.db2.gz OPUWSWXIGBFXDS-UHFFFAOYSA-N 0 1 278.272 0.566 20 5 CCBDMN O=C(N[C@@H]1CCN(c2ncccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000364025158 357078788 /nfs/dbraw/zinc/07/87/88/357078788.db2.gz HYCMTUCKSAVFKW-FXPVBKGRSA-N 0 1 294.286 0.581 20 5 CCBDMN O=C(NC1(C2CC2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000364074746 357082922 /nfs/dbraw/zinc/08/29/22/357082922.db2.gz PKYMGSCVACYBCC-NXEZZACHSA-N 0 1 254.286 0.727 20 5 CCBDMN O=[N+]([O-])c1sccc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405276267 357824078 /nfs/dbraw/zinc/82/40/78/357824078.db2.gz ROQRPVDJHOJWNM-DTWKUNHWSA-N 0 1 269.326 0.912 20 5 CCBDMN COC[C@](C)(N)CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000450331382 236081013 /nfs/dbraw/zinc/08/10/13/236081013.db2.gz LIZFTBJLKSHFAI-GFCCVEGCSA-N 0 1 279.300 0.669 20 5 CCBDMN CO[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CCO1 ZINC000590335298 359442048 /nfs/dbraw/zinc/44/20/48/359442048.db2.gz VWYCUBDNENICOB-MRVPVSSYSA-N 0 1 298.299 0.886 20 5 CCBDMN O=C(NC[C@@H]1CCCNC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000591056348 359551174 /nfs/dbraw/zinc/55/11/74/359551174.db2.gz VIOHQAWIZUBNNN-QMMMGPOBSA-N 0 1 293.279 0.556 20 5 CCBDMN COCC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297081098 200079709 /nfs/dbraw/zinc/07/97/09/200079709.db2.gz JYAAJTKTVMLGQU-SNVBAGLBSA-N 0 1 281.316 0.826 20 5 CCBDMN COCCN1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297081098 200079710 /nfs/dbraw/zinc/07/97/10/200079710.db2.gz JYAAJTKTVMLGQU-SNVBAGLBSA-N 0 1 281.316 0.826 20 5 CCBDMN C[C@@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000563118766 291196027 /nfs/dbraw/zinc/19/60/27/291196027.db2.gz FVCIUWVSWFBVFJ-QMMMGPOBSA-N 0 1 282.300 0.943 20 5 CCBDMN O=C(N[C@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592329903 359818250 /nfs/dbraw/zinc/81/82/50/359818250.db2.gz BMHOQPFBPVZKTM-QMMMGPOBSA-N 0 1 280.284 0.567 20 5 CCBDMN [NH3+]CC[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(F)F ZINC000592340341 359821555 /nfs/dbraw/zinc/82/15/55/359821555.db2.gz ZNEHUUMDWBXCLV-ZETCQYMHSA-N 0 1 290.226 0.408 20 5 CCBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000593187288 360051713 /nfs/dbraw/zinc/05/17/13/360051713.db2.gz IWITWPCNUOOZSS-MXWKQRLJSA-N 0 1 295.343 0.731 20 5 CCBDMN C[C@H](CO)N[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000593919844 360216159 /nfs/dbraw/zinc/21/61/59/360216159.db2.gz GELRPOSRUOIQFW-LDYMZIIASA-N 0 1 293.279 0.197 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@H](O)C1(C)C ZINC000594003808 360233356 /nfs/dbraw/zinc/23/33/56/360233356.db2.gz ZNITURTWLOGILW-IUCAKERBSA-N 0 1 254.290 0.577 20 5 CCBDMN C[C@@H](O)CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000177409744 189048770 /nfs/dbraw/zinc/04/87/70/189048770.db2.gz XHIULFDTNGJFDX-SSDOTTSWSA-N 0 1 278.268 0.924 20 5 CCBDMN Cc1noc(CN2CC[C@@](C)(C(N)=O)C2)c1[N+](=O)[O-] ZINC000595467212 360542363 /nfs/dbraw/zinc/54/23/63/360542363.db2.gz QFAQAIYVSHYLDP-LLVKDONJSA-N 0 1 268.273 0.589 20 5 CCBDMN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1(O)CNC1 ZINC000595935696 360712284 /nfs/dbraw/zinc/71/22/84/360712284.db2.gz KEDMGMVOGKJCDI-UHFFFAOYSA-N 0 1 293.323 0.368 20 5 CCBDMN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597943882 361286796 /nfs/dbraw/zinc/28/67/96/361286796.db2.gz AGCDBWRSFPNVKW-SECBINFHSA-N 0 1 281.316 0.495 20 5 CCBDMN CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCN(C)C1 ZINC000597945995 361288239 /nfs/dbraw/zinc/28/82/39/361288239.db2.gz MBCQTJWUGYMZLR-VIFPVBQESA-N 0 1 281.316 0.495 20 5 CCBDMN CN(C[C@@H]1COCCO1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598185772 361350744 /nfs/dbraw/zinc/35/07/44/361350744.db2.gz XGIXOJGLIPLNHG-GFCCVEGCSA-N 0 1 296.279 0.788 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)C(O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598189687 361353574 /nfs/dbraw/zinc/35/35/74/361353574.db2.gz QPWLZTXVXJXVKD-YUMQZZPRSA-N 0 1 296.327 0.969 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000598787671 361517471 /nfs/dbraw/zinc/51/74/71/361517471.db2.gz YKUTTZIMWIRAGC-APPZFPTMSA-N 0 1 282.300 0.717 20 5 CCBDMN COc1cc(CNCc2c[nH]nn2)c([N+](=O)[O-])cc1O ZINC000598984116 361545369 /nfs/dbraw/zinc/54/53/69/361545369.db2.gz HGOYPFCIZZCFCQ-UHFFFAOYSA-N 0 1 279.256 0.717 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000599331617 361653644 /nfs/dbraw/zinc/65/36/44/361653644.db2.gz UWZQCMMTJBHBPZ-RNLVFQAGSA-N 0 1 286.313 0.405 20 5 CCBDMN COC[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000275890856 193156000 /nfs/dbraw/zinc/15/60/00/193156000.db2.gz CBGAXOUTBFPILR-VXNVDRBHSA-N 0 1 298.299 0.502 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2C[C@H](O)[C@@H](CO)C2)c1 ZINC000459685990 249052434 /nfs/dbraw/zinc/05/24/34/249052434.db2.gz GTQUTIJFHFAFHX-MFKMUULPSA-N 0 1 282.296 0.259 20 5 CCBDMN O=[N+]([O-])c1ccc(OCCN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000278885572 194196854 /nfs/dbraw/zinc/19/68/54/194196854.db2.gz UDOAUEZEOAVLMO-RYUDHWBXSA-N 0 1 268.269 0.011 20 5 CCBDMN C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000570514669 291762360 /nfs/dbraw/zinc/76/23/60/291762360.db2.gz SBKAAYKMRKSBPT-UHFFFAOYSA-N 0 1 268.273 0.377 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC(=O)N[C@H](C)C2)c1[N+](=O)[O-] ZINC000296159889 285162900 /nfs/dbraw/zinc/16/29/00/285162900.db2.gz NBVQMJCANKMVPE-SSDOTTSWSA-N 0 1 295.299 0.231 20 5 CCBDMN COCCOCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000289042443 197219862 /nfs/dbraw/zinc/21/98/62/197219862.db2.gz PSWPISSOSQQSJP-UHFFFAOYSA-N 0 1 299.327 0.351 20 5 CCBDMN CCN1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000288265837 197040103 /nfs/dbraw/zinc/04/01/03/197040103.db2.gz FUAHBXOWNDLCFN-MRVPVSSYSA-N 0 1 281.316 0.793 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ncn[nH]1 ZINC000358460279 533222153 /nfs/dbraw/zinc/22/21/53/533222153.db2.gz WLXYQNAXZAKFJQ-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1nc[nH]n1 ZINC000358460279 533222159 /nfs/dbraw/zinc/22/21/59/533222159.db2.gz WLXYQNAXZAKFJQ-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@](O)(C(N)=O)C1 ZINC000284888910 388784648 /nfs/dbraw/zinc/78/46/48/388784648.db2.gz FUVAELHHZQQZBH-NOZJJQNGSA-N 0 1 279.296 0.578 20 5 CCBDMN CC[C@H](CO)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000293598635 388985583 /nfs/dbraw/zinc/98/55/83/388985583.db2.gz BRHIUULUHCOTAT-LLVKDONJSA-N 0 1 281.312 0.896 20 5 CCBDMN CNC(=O)NC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296698077 389010573 /nfs/dbraw/zinc/01/05/73/389010573.db2.gz KQIVAZYUTVARIM-QMMMGPOBSA-N 0 1 280.284 0.701 20 5 CCBDMN CCCNC(=O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355381446 389069718 /nfs/dbraw/zinc/06/97/18/389069718.db2.gz PFRYITMIQBHJCZ-UHFFFAOYSA-N 0 1 281.268 0.556 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CC2(O)CCC2)c1[N+](=O)[O-] ZINC000332039950 389323070 /nfs/dbraw/zinc/32/30/70/389323070.db2.gz XHEDANIKCJDBPO-UHFFFAOYSA-N 0 1 282.300 0.867 20 5 CCBDMN C[C@@H]1CCOCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000367670153 389344469 /nfs/dbraw/zinc/34/44/69/389344469.db2.gz ZLTIRQCFULMJQC-LLVKDONJSA-N 0 1 281.312 0.867 20 5 CCBDMN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CNCCO1 ZINC000150755274 389274650 /nfs/dbraw/zinc/27/46/50/389274650.db2.gz JWAIECOINRPRAH-GFCCVEGCSA-N 0 1 294.311 0.111 20 5 CCBDMN C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)N1 ZINC000153232443 389297593 /nfs/dbraw/zinc/29/75/93/389297593.db2.gz VNXHCHXANCMUFC-RKDXNWHRSA-N 0 1 267.289 0.000 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCCc2cn[nH]c21 ZINC000268968435 389396505 /nfs/dbraw/zinc/39/65/05/389396505.db2.gz LBTDROUHXIWYRX-VIFPVBQESA-N 0 1 290.283 0.708 20 5 CCBDMN CN1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)c3F)C[C@@H]21 ZINC000413466972 389515324 /nfs/dbraw/zinc/51/53/24/389515324.db2.gz BGBKKRXWBDFTTJ-WDEREUQCSA-N 0 1 296.302 0.835 20 5 CCBDMN O=C(NCc1ccnc2ccnn21)c1n[nH]cc1[N+](=O)[O-] ZINC000351592422 389625293 /nfs/dbraw/zinc/62/52/93/389625293.db2.gz UTGKVJFLPUEKPM-UHFFFAOYSA-N 0 1 287.239 0.291 20 5 CCBDMN O=C(N[C@H]1CCOC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000179220413 389646333 /nfs/dbraw/zinc/64/63/33/389646333.db2.gz YLBKBOHAMVZKNF-ZETCQYMHSA-N 0 1 276.252 0.990 20 5 CCBDMN COCCO[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000179338814 389653775 /nfs/dbraw/zinc/65/37/75/389653775.db2.gz SCSJWKLKJWYTCT-ZDUSSCGKSA-N 0 1 298.343 0.919 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[S@@](=O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000352306747 389787400 /nfs/dbraw/zinc/78/74/00/389787400.db2.gz PCZFLDXCKPBTLY-ZLWQNGGKSA-N 0 1 286.313 0.219 20 5 CCBDMN CC(C)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000489313068 390099218 /nfs/dbraw/zinc/09/92/18/390099218.db2.gz KOMSVERXSYPGRZ-GFCCVEGCSA-N 0 1 295.343 0.590 20 5 CCBDMN NCc1nnnn1CCOc1cccc([N+](=O)[O-])c1 ZINC000572599105 390791186 /nfs/dbraw/zinc/79/11/86/390791186.db2.gz OBAMHYBABYACPG-UHFFFAOYSA-N 0 1 264.245 0.119 20 5 CCBDMN CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189816720 130024699 /nfs/dbraw/zinc/02/46/99/130024699.db2.gz APRMDWCDZDZUKQ-UHFFFAOYSA-N 0 1 296.327 0.221 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@]23CCOC3)c1 ZINC000341963261 130177248 /nfs/dbraw/zinc/17/72/48/130177248.db2.gz FLPVXSCSNSRDGA-QWHCGFSZSA-N 0 1 296.327 0.407 20 5 CCBDMN C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000237602561 131045850 /nfs/dbraw/zinc/04/58/50/131045850.db2.gz JRXKYQKHGOVLRC-JTQLQIEISA-N 0 1 279.296 0.794 20 5 CCBDMN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCN(C)CC1 ZINC000263719914 131315839 /nfs/dbraw/zinc/31/58/39/131315839.db2.gz FNKAWKLYODOIAE-SNVBAGLBSA-N 0 1 295.343 0.289 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCc2n[nH]nc2C1 ZINC000356617841 144019693 /nfs/dbraw/zinc/01/96/93/144019693.db2.gz BTHHAWINFCJEKL-UHFFFAOYSA-N 0 1 289.251 0.617 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCc2nc[nH]c2C1 ZINC000371362512 144328624 /nfs/dbraw/zinc/32/86/24/144328624.db2.gz WPKFUTOXHXCEBK-QMMMGPOBSA-N 0 1 290.283 0.188 20 5 CCBDMN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000372748808 144379682 /nfs/dbraw/zinc/37/96/82/144379682.db2.gz LIABFRHWYOKFPC-USWWRNFRSA-N 0 1 293.327 0.377 20 5 CCBDMN CN(C)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184077245 289164957 /nfs/dbraw/zinc/16/49/57/289164957.db2.gz XJIMZGVMPGBPRV-UHFFFAOYSA-N 0 1 287.341 0.576 20 5 CCBDMN O=C(NCc1cnc2nccn2c1)c1n[nH]cc1[N+](=O)[O-] ZINC000552205748 286158829 /nfs/dbraw/zinc/15/88/29/286158829.db2.gz NYYBGWXGZXNKDD-UHFFFAOYSA-N 0 1 287.239 0.291 20 5 CCBDMN CN(C)C1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284221299 196006483 /nfs/dbraw/zinc/00/64/83/196006483.db2.gz AXRIBHUHJSZYKD-UHFFFAOYSA-N 0 1 282.275 0.702 20 5 CCBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2nn[nH]n2)c1 ZINC000044928392 411633829 /nfs/dbraw/zinc/63/38/29/411633829.db2.gz YZXOPSKFKBWZDD-UHFFFAOYSA-N 0 1 294.296 0.760 20 5 CCBDMN O=C(NCCCc1nc[nH]n1)Nc1ccncc1[N+](=O)[O-] ZINC000284682937 196110659 /nfs/dbraw/zinc/11/06/59/196110659.db2.gz FJLKSAOKOYNFQL-UHFFFAOYSA-N 0 1 291.271 0.862 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCNCC1 ZINC000043570354 175068062 /nfs/dbraw/zinc/06/80/62/175068062.db2.gz PFOSMDDNYUSJTC-UHFFFAOYSA-N 0 1 253.233 0.779 20 5 CCBDMN Cc1nn(C)c(C(=O)N2CCNC[C@H]2C)c1[N+](=O)[O-] ZINC000125220238 279187833 /nfs/dbraw/zinc/18/78/33/279187833.db2.gz JHFCRSQIBHGEDQ-SSDOTTSWSA-N 0 1 267.289 0.071 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN1CCc2n[nH]nc2C1 ZINC000429311036 279384697 /nfs/dbraw/zinc/38/46/97/279384697.db2.gz PZPAGVVXWSWCOQ-UHFFFAOYSA-N 0 1 263.261 0.005 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)c2c([N+](=O)[O-])cnn2C)[C@H](C)C1 ZINC000582370732 328972873 /nfs/dbraw/zinc/97/28/73/328972873.db2.gz YIGTYJGHSMQOJL-NXEZZACHSA-N 0 1 295.343 0.883 20 5 CCBDMN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000576189401 335166936 /nfs/dbraw/zinc/16/69/36/335166936.db2.gz DMBNREKGYKDJMI-FZMZJTMJSA-N 0 1 296.323 0.649 20 5 CCBDMN CCc1ncc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000577275570 335333500 /nfs/dbraw/zinc/33/35/00/335333500.db2.gz GSFOKOWGYMCYGF-JTQLQIEISA-N 0 1 295.299 0.492 20 5 CCBDMN O=C(N[C@@H]1CC[C@H]1O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000425062871 534772572 /nfs/dbraw/zinc/77/25/72/534772572.db2.gz VMJQSUKDWBSHOE-NXEZZACHSA-N 0 1 276.252 0.724 20 5 CCBDMN CCC[C@@H](O)[C@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000412525024 529070820 /nfs/dbraw/zinc/07/08/20/529070820.db2.gz LEJUOTLEZYRLKL-NWDGAFQWSA-N 0 1 298.295 0.552 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H]2C[C@@]2(CO)C1 ZINC000783799242 581363668 /nfs/dbraw/zinc/36/36/68/581363668.db2.gz ZDJPSVHAXVNCFE-RNCFNFMXSA-N 0 1 278.264 0.755 20 5 CCBDMN O=[N+]([O-])c1ccn(C2CCN(CC3OCCO3)CC2)n1 ZINC000785857239 581423394 /nfs/dbraw/zinc/42/33/94/581423394.db2.gz CPVVHDSIQQDAIO-UHFFFAOYSA-N 0 1 282.300 0.801 20 5 CCBDMN CCc1nc(COC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000754786955 581609447 /nfs/dbraw/zinc/60/94/47/581609447.db2.gz DFLFYRRHFPMGPI-UHFFFAOYSA-N 0 1 280.244 0.215 20 5 CCBDMN CC(C)(C)[S@@](=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000764231520 582038902 /nfs/dbraw/zinc/03/89/02/582038902.db2.gz AWIOPDKYCFDDTO-IBGZPJMESA-N 0 1 288.329 0.595 20 5 CCBDMN CO[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F ZINC000764241411 582039712 /nfs/dbraw/zinc/03/97/12/582039712.db2.gz BLYBFYAENZXVTH-RXMQYKEDSA-N 0 1 282.178 0.625 20 5 CCBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000228614796 600138192 /nfs/dbraw/zinc/13/81/92/600138192.db2.gz LJYNUULIKPBWEY-MNOVXSKESA-N 0 1 266.253 0.615 20 5 CCBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000228614796 600138193 /nfs/dbraw/zinc/13/81/93/600138193.db2.gz LJYNUULIKPBWEY-MNOVXSKESA-N 0 1 266.253 0.615 20 5 CCBDMN COc1ccc([C@@H](CO)N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840411203 617279248 /nfs/dbraw/zinc/27/92/48/617279248.db2.gz GJKCTEAVMGGSDW-JHJVBQTASA-N 0 1 294.307 0.852 20 5 CCBDMN CC(C)CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)C1=O ZINC000839729834 614095569 /nfs/dbraw/zinc/09/55/69/614095569.db2.gz APJNVAHHDQLQOB-GMTAPVOTSA-N 0 1 283.328 0.367 20 5 CCBDMN CC(C)=C(F)C(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954240549 614225698 /nfs/dbraw/zinc/22/56/98/614225698.db2.gz RMZMAWVWECQAEZ-NXEZZACHSA-N 0 1 299.302 0.584 20 5 CCBDMN CCC[C@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000840280118 614448749 /nfs/dbraw/zinc/44/87/49/614448749.db2.gz DDVFKUYRLDBEJH-XLDPMVHQSA-N 0 1 258.274 0.500 20 5 CCBDMN CC1(C(N)=O)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000829070772 614497993 /nfs/dbraw/zinc/49/79/93/614497993.db2.gz YRDKQZHEJHNLLX-LLVKDONJSA-N 0 1 279.296 0.435 20 5 CCBDMN CC1(C)C[C@H](O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839788079 614778289 /nfs/dbraw/zinc/77/82/89/614778289.db2.gz XAWBVLSBTYTVTO-OPRDCNLKSA-N 0 1 256.302 0.661 20 5 CCBDMN CCN1CC[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819298895 615235898 /nfs/dbraw/zinc/23/58/98/615235898.db2.gz RDPXVZQGVSNNPM-CHWSQXEVSA-N 0 1 293.323 0.839 20 5 CCBDMN CCOCCCNC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673196 615246246 /nfs/dbraw/zinc/24/62/46/615246246.db2.gz SOWUQAWRJYZFHX-IVZWLZJFSA-N 0 1 288.300 0.126 20 5 CCBDMN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@]12CCCO2 ZINC000839727230 615433354 /nfs/dbraw/zinc/43/33/54/615433354.db2.gz YWWYMGZVNWUADG-VDWIVTDKSA-N 0 1 284.312 0.494 20 5 CCBDMN CCNC(=O)CCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000816117578 615464137 /nfs/dbraw/zinc/46/41/37/615464137.db2.gz FFOJNMJQXOJQNH-UHFFFAOYSA-N 0 1 255.230 0.606 20 5 CCBDMN CCc1nc([C@H](C)OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 ZINC000849806160 615757443 /nfs/dbraw/zinc/75/74/43/615757443.db2.gz DYXAYVLNCXKAIB-RRKCRQDMSA-N 0 1 254.246 0.637 20 5 CCBDMN CCc1noc(C)c1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839779386 615833487 /nfs/dbraw/zinc/83/34/87/615833487.db2.gz WZJTXFWEUOBHAL-GMSGAONNSA-N 0 1 253.258 0.827 20 5 CCBDMN CN(CC(=O)OCc1c[nH]nn1)c1ccccc1[N+](=O)[O-] ZINC000838897150 616050805 /nfs/dbraw/zinc/05/08/05/616050805.db2.gz BKHXWBCIYWRRGE-UHFFFAOYSA-N 0 1 291.267 0.893 20 5 CCBDMN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000852495122 616147292 /nfs/dbraw/zinc/14/72/92/616147292.db2.gz HPVWXOQUVLJAIQ-KGLIPLIRSA-N 0 1 296.323 0.975 20 5 CCBDMN CN(Cc1cccc(=O)[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000887164215 616169317 /nfs/dbraw/zinc/16/93/17/616169317.db2.gz ZIXITRCLQNYEIP-RKDXNWHRSA-N 0 1 251.242 0.411 20 5 CCBDMN CN1CCC[C@H]1Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC000917872499 616214438 /nfs/dbraw/zinc/21/44/38/616214438.db2.gz FXZNRFQZCILWNX-QMMMGPOBSA-N 0 1 255.249 0.990 20 5 CCBDMN CN1C[C@@H](O)C[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000924989816 616304455 /nfs/dbraw/zinc/30/44/55/616304455.db2.gz DRDLUATVLMSOLN-BDAKNGLRSA-N 0 1 297.286 0.529 20 5 CCBDMN CN1C[C@@H](O)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000924979462 616332035 /nfs/dbraw/zinc/33/20/35/616332035.db2.gz FILCCKARDXHXMH-UWVGGRQHSA-N 0 1 297.286 0.529 20 5 CCBDMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000914432536 616367425 /nfs/dbraw/zinc/36/74/25/616367425.db2.gz YOOYWTMNGVQWHG-AOOOYVTPSA-N 0 1 279.300 0.096 20 5 CCBDMN COC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccs1 ZINC000840300457 617013255 /nfs/dbraw/zinc/01/32/55/617013255.db2.gz FBPKFIVGWGNFGK-BHNWBGBOSA-N 0 1 284.293 0.744 20 5 CCBDMN CON(C)C(=O)[C@@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863586562 617053513 /nfs/dbraw/zinc/05/35/13/617053513.db2.gz HXAJSNYGNUDZRU-BXKDBHETSA-N 0 1 297.311 0.626 20 5 CCBDMN COc1c(O)ccc(CN2CC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000857707344 617149010 /nfs/dbraw/zinc/14/90/10/617149010.db2.gz KSALJQXUVOTQOG-SECBINFHSA-N 0 1 295.295 0.616 20 5 CCBDMN C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000176736180 622774115 /nfs/dbraw/zinc/77/41/15/622774115.db2.gz BSGJPHOHTBOBFV-ZCFIWIBFSA-N 0 1 276.256 0.786 20 5 CCBDMN O=C(CC1CCC1)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973130442 623651436 /nfs/dbraw/zinc/65/14/36/623651436.db2.gz GAJOUFJAEXCYNG-DDHJBXDOSA-N 0 1 295.339 0.605 20 5 CCBDMN O=C(NCc1nnc[nH]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000247360401 624874402 /nfs/dbraw/zinc/87/44/02/624874402.db2.gz ZDRYVAOPZFPKAO-UHFFFAOYSA-N 0 1 292.211 0.551 20 5 CCBDMN O=[N+]([O-])CCNCc1ccccc1Cn1cncn1 ZINC000905035793 634779911 /nfs/dbraw/zinc/77/99/11/634779911.db2.gz QGCXOTYDJZIXOP-UHFFFAOYSA-N 0 1 261.285 0.693 20 5 CCBDMN O=C(NCCNCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905027068 634788376 /nfs/dbraw/zinc/78/83/76/634788376.db2.gz VANIZDLCERYFBE-UHFFFAOYSA-N 0 1 271.704 0.936 20 5 CCBDMN O=C1c2ccccc2C(=O)N1CCNCC[N+](=O)[O-] ZINC000905060380 634793886 /nfs/dbraw/zinc/79/38/86/634793886.db2.gz ARGAYUSQZCOQRM-UHFFFAOYSA-N 0 1 263.253 0.149 20 5 CCBDMN CS(=O)(=O)Cc1ccccc1CNCC[N+](=O)[O-] ZINC000905155017 634803114 /nfs/dbraw/zinc/80/31/14/634803114.db2.gz NILJAHPKYGSVRH-UHFFFAOYSA-N 0 1 272.326 0.598 20 5 CCBDMN C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)C[C@H](C)N1C ZINC000893992101 631495521 /nfs/dbraw/zinc/49/55/21/631495521.db2.gz WKWOMHOPUGLTCY-DTORHVGOSA-N 0 1 253.306 0.857 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000894699406 631815220 /nfs/dbraw/zinc/81/52/20/631815220.db2.gz DXTZIRBTZMEBIN-ZDCRXTMVSA-N 0 1 254.286 0.679 20 5 CCBDMN CN1CC[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000227219692 637013286 /nfs/dbraw/zinc/01/32/86/637013286.db2.gz TVVNYBBLTZZQKR-NEPJUHHUSA-N 0 1 279.296 0.449 20 5 CCBDMN O=C(NC[C@@H](O)COc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839525365 640316769 /nfs/dbraw/zinc/31/67/69/640316769.db2.gz SQUIRSSQODUQTO-YUSALJHKSA-N 0 1 280.280 0.208 20 5 CCBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccs1 ZINC000839612718 640346492 /nfs/dbraw/zinc/34/64/92/640346492.db2.gz BYCRLSQBOKSZDF-RKDXNWHRSA-N 0 1 297.336 0.649 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](C(F)(F)F)C1 ZINC000839687920 640350176 /nfs/dbraw/zinc/35/01/76/640350176.db2.gz ILGBSZVGVUYNKO-FSDSQADBSA-N 0 1 268.191 0.441 20 5 CCBDMN C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1(C)OCCO1 ZINC000839688322 640350478 /nfs/dbraw/zinc/35/04/78/640350478.db2.gz NKLDVZUNVXRMGO-OPRDCNLKSA-N 0 1 272.301 0.557 20 5 CCBDMN O=C(NCCCNC(=O)C1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839697725 640351923 /nfs/dbraw/zinc/35/19/23/640351923.db2.gz HAVPOCVIBIIZTC-NXEZZACHSA-N 0 1 269.301 0.074 20 5 CCBDMN Cc1nnc([C@@H]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]1 ZINC000839703473 640354454 /nfs/dbraw/zinc/35/44/54/640354454.db2.gz FJRWQGOSFMJZJD-OPRDCNLKSA-N 0 1 279.300 0.484 20 5 CCBDMN Cc1ccc(C[C@@H](CO)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839732851 640354581 /nfs/dbraw/zinc/35/45/81/640354581.db2.gz GXXQFVZZBDZKPW-YNEHKIRRSA-N 0 1 278.308 0.680 20 5 CCBDMN O=C(NCCOc1ncccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000839703562 640355303 /nfs/dbraw/zinc/35/53/03/640355303.db2.gz LZOIWQGOHXEZII-VXNVDRBHSA-N 0 1 285.687 0.895 20 5 CCBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)N1CCOCC1 ZINC000799637147 640588495 /nfs/dbraw/zinc/58/84/95/640588495.db2.gz VPJPHQONOIRINF-MRVPVSSYSA-N 0 1 297.267 0.327 20 5 CCBDMN C[C@@H](C[C@@H](O)c1ccco1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840396705 641428499 /nfs/dbraw/zinc/42/84/99/641428499.db2.gz RATQVGQLFLLAOK-SGIHWFKDSA-N 0 1 268.269 0.873 20 5 CCBDMN Cn1nc(C2CC2)nc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000829279715 642154150 /nfs/dbraw/zinc/15/41/50/642154150.db2.gz WVPLZLQMYVSSKK-HTQZYQBOSA-N 0 1 266.257 0.401 20 5 CCBDMN Cc1nc(COC(=O)CCC(C)(C)[N+](=O)[O-])n[nH]1 ZINC000835223232 642654333 /nfs/dbraw/zinc/65/43/33/642654333.db2.gz MMZVRXMFMUXUBI-UHFFFAOYSA-N 0 1 256.262 0.992 20 5 CCBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1COCCO1 ZINC000837424439 642743277 /nfs/dbraw/zinc/74/32/77/642743277.db2.gz REGLYQIBYGVUIN-NSHDSACASA-N 0 1 283.236 0.759 20 5 CCBDMN O=C(OCCOC[C@@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000840671202 642784951 /nfs/dbraw/zinc/78/49/51/642784951.db2.gz PISQUTRNFXXIFR-IVZWLZJFSA-N 0 1 259.258 0.390 20 5 CCBDMN O=C(O[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671211 642785168 /nfs/dbraw/zinc/78/51/68/642785168.db2.gz PUUFBRLKANVEFI-FSDSQADBSA-N 0 1 296.201 0.358 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000844435912 643215706 /nfs/dbraw/zinc/21/57/06/643215706.db2.gz ZMVBPOAVWCTFLU-WNIMPLFLSA-N 0 1 296.348 0.833 20 5 CCBDMN C[S@@](=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000844513447 643223528 /nfs/dbraw/zinc/22/35/28/643223528.db2.gz JVRAIMXFXVXXAZ-GMJGCRJXSA-N 0 1 260.315 0.069 20 5 CCBDMN Cn1cc([C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)cn1 ZINC000848142189 643608991 /nfs/dbraw/zinc/60/89/91/643608991.db2.gz LGZXJTQCPHXNSB-DDHJBXDOSA-N 0 1 294.311 0.422 20 5 CCBDMN O=C(Nc1[nH][nH]c2cc(=O)ccc1-2)[C@@H]1CC1[N+](=O)[O-] ZINC000854584409 644229233 /nfs/dbraw/zinc/22/92/33/644229233.db2.gz WQKHZMLHTVVUIM-VXNVDRBHSA-N 0 1 262.225 0.872 20 5 CCBDMN C[C@@H]1COC2(CCC2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855523790 644331322 /nfs/dbraw/zinc/33/13/22/644331322.db2.gz RGMMOQUZTVQDKW-OPRDCNLKSA-N 0 1 254.286 0.822 20 5 CCBDMN O=C(NC[C@]12OCCC[C@H]1C2(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000855781781 644360773 /nfs/dbraw/zinc/36/07/73/644360773.db2.gz WUSDGLFSWWJMAN-DQUBFYRCSA-N 0 1 276.239 0.582 20 5 CCBDMN C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)COC(=O)N1 ZINC000860995395 644846723 /nfs/dbraw/zinc/84/67/23/644846723.db2.gz OUFXCNXVHDBEBZ-SNVBAGLBSA-N 0 1 269.213 0.578 20 5 CCBDMN C[C@](CO)(Cc1ccccc1F)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000870933178 646051284 /nfs/dbraw/zinc/05/12/84/646051284.db2.gz QLJDGXMKSKHENQ-MPKXVKKWSA-N 0 1 296.298 0.901 20 5 CCBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC=C[C@@H]1CO ZINC000880488233 647212434 /nfs/dbraw/zinc/21/24/34/647212434.db2.gz ADBCIMSODUXAAB-VXGBXAGGSA-N 0 1 294.307 0.567 20 5 CCBDMN O=C(NC[C@@H]1CCC2(CCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000882550810 647418242 /nfs/dbraw/zinc/41/82/42/647418242.db2.gz DIHIBYWGFLTRAR-IVZWLZJFSA-N 0 1 254.286 0.870 20 5 CCBDMN O=[N+]([O-])CCN1CCN(CCCOCC(F)(F)F)CC1 ZINC000929348202 648732176 /nfs/dbraw/zinc/73/21/76/648732176.db2.gz VHJUSQJZBDFMIY-UHFFFAOYSA-N 0 1 299.293 0.850 20 5 CCBDMN O=[N+]([O-])c1ccc(CN(C[C@@H](O)CO)C2CC2)cc1 ZINC000930141137 648829458 /nfs/dbraw/zinc/82/94/58/648829458.db2.gz RZZJVCYUXLRRRX-CYBMUJFWSA-N 0 1 266.297 0.912 20 5 CCBDMN O=C(N1C[C@@H]2CCN(CC[N+](=O)[O-])C[C@@H]2C1)C(F)(F)F ZINC000930638800 648885080 /nfs/dbraw/zinc/88/50/80/648885080.db2.gz FGRBCEKBKAFKRX-DTWKUNHWSA-N 0 1 295.261 0.606 20 5 CCBDMN C[C@]1(NC(=O)C(F)(F)F)CCN(CC[N+](=O)[O-])C1 ZINC000931568552 649007010 /nfs/dbraw/zinc/00/70/10/649007010.db2.gz YIBJBZWKJWUCGO-QMMMGPOBSA-N 0 1 269.223 0.406 20 5 CCBDMN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000932346298 649067929 /nfs/dbraw/zinc/06/79/29/649067929.db2.gz NDRTWFWMOAJOCB-SNVBAGLBSA-N 0 1 254.290 0.902 20 5 CCBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]1CO ZINC000934015549 649153792 /nfs/dbraw/zinc/15/37/92/649153792.db2.gz DBUZWTHOVNAUME-GHMZBOCLSA-N 0 1 282.296 0.401 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000080538418 649555592 /nfs/dbraw/zinc/55/55/92/649555592.db2.gz JRFNSQUOPQDBKS-UHFFFAOYSA-N 0 1 276.256 0.567 20 5 CCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]2[C@H](C1)OCCN2C ZINC001164674316 719409461 /nfs/dbraw/zinc/40/94/61/719409461.db2.gz WGMOGIVTIAADIG-NEPJUHHUSA-N 0 1 294.311 0.056 20 5 CCBDMN CN(CCNCc1cscn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696537 791152541 /nfs/dbraw/zinc/15/25/41/791152541.db2.gz LTOYWMCPPBGZPK-NXEZZACHSA-N 0 1 284.341 0.356 20 5 CCBDMN O=C(N[C@H]1CN2CCC1CC2)c1ccc([N+](=O)[O-])cn1 ZINC001120687255 798914339 /nfs/dbraw/zinc/91/43/39/798914339.db2.gz NGHIIIKDEFPWAI-LBPRGKRZSA-N 0 1 276.296 0.814 20 5 CCBDMN Cc1cc(NC(=O)[C@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC001122511629 799254299 /nfs/dbraw/zinc/25/42/99/799254299.db2.gz XJOFABIJYAXNHR-LLVKDONJSA-N 0 1 265.269 0.830 20 5 CCBDMN CC(C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ncon1 ZINC001139594150 799823833 /nfs/dbraw/zinc/82/38/33/799823833.db2.gz JYFWCLRYFHOLPS-PRJMDXOYSA-N 0 1 254.246 0.548 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2cccc(O)c2)CC1 ZINC000839468911 800025380 /nfs/dbraw/zinc/02/53/80/800025380.db2.gz BJWOITLYDGMTHV-CHWSQXEVSA-N 0 1 291.307 0.706 20 5 CCBDMN O=C(OCc1cnc(Cl)cn1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672598 800049351 /nfs/dbraw/zinc/04/93/51/800049351.db2.gz CNXWCRXPOWHRJY-RNFRBKRXSA-N 0 1 257.633 0.838 20 5 CCBDMN CCOC(=O)c1c(CN)ncn1-c1cccc([N+](=O)[O-])n1 ZINC001155078528 800904743 /nfs/dbraw/zinc/90/47/43/800904743.db2.gz REMOYEVPQCFJTD-UHFFFAOYSA-N 0 1 291.267 0.811 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001158159216 801578821 /nfs/dbraw/zinc/57/88/21/801578821.db2.gz ZCFZAYMBICXUGM-OXHZDVMGSA-N 0 1 298.339 0.025 20 5 CCBDMN CC[C@](N)(CO)Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001159744818 801860545 /nfs/dbraw/zinc/86/05/45/801860545.db2.gz WQGDRUAHYUBAQM-LLVKDONJSA-N 0 1 265.273 0.940 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001255272927 808340234 /nfs/dbraw/zinc/34/02/34/808340234.db2.gz NZOAEDUWIYVOIU-UHFFFAOYSA-N 0 1 264.245 0.290 20 5 CCBDMN O=[N+]([O-])c1cnc(NCc2noc3c2CNCC3)cn1 ZINC001163134350 802490013 /nfs/dbraw/zinc/49/00/13/802490013.db2.gz PPALBHOZDVWCPL-UHFFFAOYSA-N 0 1 276.256 0.631 20 5 CCBDMN CN(C1CN(c2ncc([N+](=O)[O-])cc2N)C1)[C@@H]1CCOC1 ZINC001165205465 802795796 /nfs/dbraw/zinc/79/57/96/802795796.db2.gz RGLXYIBWFFCDOX-SECBINFHSA-N 0 1 293.327 0.481 20 5 CCBDMN COC(=O)[C@H]1CNCCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001165440040 802843649 /nfs/dbraw/zinc/84/36/49/802843649.db2.gz XEJVFCGFKXCUCF-SNVBAGLBSA-N 0 1 294.311 0.558 20 5 CCBDMN O=c1ncc([N+](=O)[O-])c(O[C@@H]2CCc3[nH+]ccn3C2)[n-]1 ZINC001226337235 805221155 /nfs/dbraw/zinc/22/11/55/805221155.db2.gz WOZYBRXPLAFPCY-SSDOTTSWSA-N 0 1 277.240 0.681 20 5 CCBDMN O=C1OCC[C@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227093725 805321609 /nfs/dbraw/zinc/32/16/09/805321609.db2.gz VZDMKGOIYBDYCO-SECBINFHSA-N 0 1 291.219 0.938 20 5 CCBDMN Cc1nc(O[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229375450 805526438 /nfs/dbraw/zinc/52/64/38/805526438.db2.gz DLXIMGOJNCEGAK-SSDOTTSWSA-N 0 1 254.246 0.482 20 5 CCBDMN C[C@H](C[NH3+])C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000697927821 815222340 /nfs/dbraw/zinc/22/23/40/815222340.db2.gz VWFWQKMYKVOPQH-SSDOTTSWSA-N 0 1 291.304 0.607 20 5 CCBDMN Cc1nc(N[C@@H](C)[C@H]2CN(C)CCN2C)ncc1[N+](=O)[O-] ZINC001262373215 809293733 /nfs/dbraw/zinc/29/37/33/809293733.db2.gz PQDYGFLYQHSUKH-CMPLNLGQSA-N 0 1 294.359 0.739 20 5 CCBDMN COCC[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC001263255155 809497771 /nfs/dbraw/zinc/49/77/71/809497771.db2.gz VHVRIMHCSFYCLY-SECBINFHSA-N 0 1 283.284 0.638 20 5 CCBDMN COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1nnnc1CN ZINC001168924184 836059089 /nfs/dbraw/zinc/05/90/89/836059089.db2.gz KNXKJCFYTWXYMI-UHFFFAOYSA-N 0 1 298.690 1.000 20 5 CCBDMN CNC(=O)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046775 836117364 /nfs/dbraw/zinc/11/73/64/836117364.db2.gz MUIXCVQZXCOVAI-GHMZBOCLSA-N 0 1 270.333 0.389 20 5 CCBDMN [NH3+]CCON=c1[n-]c(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001156292013 836200001 /nfs/dbraw/zinc/20/00/01/836200001.db2.gz ZIVMYJPKGDMIHY-UHFFFAOYSA-N 0 1 268.060 0.994 20 5 CCBDMN COc1nc(C)nc(NCC2CN(C)C2)c1[N+](=O)[O-] ZINC001170252496 837284765 /nfs/dbraw/zinc/28/47/65/837284765.db2.gz OLLGRPANENYROJ-UHFFFAOYSA-N 0 1 267.289 0.675 20 5 CCBDMN O=[N+]([O-])c1c[nH]c2ccc(NC[C@H]3COCCN3)nc21 ZINC001159044320 838838294 /nfs/dbraw/zinc/83/82/94/838838294.db2.gz UOIKRVWLGXGOTL-QMMMGPOBSA-N 0 1 277.284 0.871 20 5 CCBDMN CC[C@@](N)(CO)Nc1cc([N+](=O)[O-])c2nccn2c1 ZINC001170863122 839456623 /nfs/dbraw/zinc/45/66/23/839456623.db2.gz APVHHLBXRNYHJT-NSHDSACASA-N 0 1 265.273 0.712 20 5 CCBDMN CC[C@@](N)(CO)Nc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001159744286 839566032 /nfs/dbraw/zinc/56/60/32/839566032.db2.gz PLFIVWRXLZKYBM-GFUIURDCSA-N 0 1 295.343 0.991 20 5 CCBDMN O=C(NCCNc1ccc(F)cc1[N+](=O)[O-])c1cnn[nH]1 ZINC001094243166 841569833 /nfs/dbraw/zinc/56/98/33/841569833.db2.gz OOHOANDIBNIFBL-UHFFFAOYSA-N 0 1 294.246 0.694 20 5 CCBDMN COCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccnc1 ZINC001176774838 842405052 /nfs/dbraw/zinc/40/50/52/842405052.db2.gz LWZMYLHEHILVIA-IJLUTSLNSA-N 0 1 279.296 0.941 20 5 CCBDMN O=C(NCCOC1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001178638171 842889822 /nfs/dbraw/zinc/88/98/22/842889822.db2.gz WBVVLEHYZJJCAV-UHFFFAOYSA-N 0 1 284.272 0.243 20 5 CCBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1nc[nH]n1 ZINC000080633133 849196085 /nfs/dbraw/zinc/19/60/85/849196085.db2.gz NHOQDYBHWKKACV-UHFFFAOYSA-N 0 1 290.283 0.658 20 5 CCBDMN CSc1n[nH]c(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n1 ZINC001115996150 855709013 /nfs/dbraw/zinc/70/90/13/855709013.db2.gz ARBRVKWPTSQRBC-UHFFFAOYSA-N 0 1 297.300 0.729 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)c1nnc[nH]1 ZINC001323345784 912286930 /nfs/dbraw/zinc/28/69/30/912286930.db2.gz MKCIXTBUXFONOL-ZCFIWIBFSA-N 0 1 279.260 0.095 20 5 CCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cncs1 ZINC001480974636 892005225 /nfs/dbraw/zinc/00/52/25/892005225.db2.gz QNZGMXUKFGFEHS-GHMZBOCLSA-N 0 1 298.368 0.746 20 5 CCBDMN CC(C)(N)c1noc(Cn2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC001326018904 913699587 /nfs/dbraw/zinc/69/95/87/913699587.db2.gz RUIOZMMFMXFBDV-UHFFFAOYSA-N 0 1 279.256 0.382 20 5 CCBDMN CCN(CCNCc1nocc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001482924214 894700064 /nfs/dbraw/zinc/70/00/64/894700064.db2.gz FDMOQWIJBWEIRB-ZYHUDNBSSA-N 0 1 296.327 0.586 20 5 CCBDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001326500566 913989266 /nfs/dbraw/zinc/98/92/66/913989266.db2.gz FRERHTLIGNNRBW-NXEZZACHSA-N 0 1 282.300 0.976 20 5 CCBDMN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@H+]3CC[C@H]2C3)c1 ZINC001165143004 899218462 /nfs/dbraw/zinc/21/84/62/899218462.db2.gz ORASMIQHNSKNKH-QMMMGPOBSA-N 0 1 284.703 0.776 20 5 CCBDMN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCN3CC[C@H]2C3)c1 ZINC001165143004 899218473 /nfs/dbraw/zinc/21/84/73/899218473.db2.gz ORASMIQHNSKNKH-QMMMGPOBSA-N 0 1 284.703 0.776 20 5 CCBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cscn1 ZINC001293196385 900994683 /nfs/dbraw/zinc/99/46/83/900994683.db2.gz RLQVDLMOFLRZFJ-VXNVDRBHSA-N 0 1 298.324 0.044 20 5 CCBDMN Cc1cc(C)c(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001282962930 904640457 /nfs/dbraw/zinc/64/04/57/904640457.db2.gz NZJWSLORDYRPAW-NXEZZACHSA-N 0 1 295.295 0.408 20 5 CCBDMN CC1(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001283005346 904667093 /nfs/dbraw/zinc/66/70/93/904667093.db2.gz UQJAXHBPGZIJCQ-RKDXNWHRSA-N 0 1 269.301 0.074 20 5 CCBDMN CCc1nc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])n[nH]1 ZINC001298438461 907242689 /nfs/dbraw/zinc/24/26/89/907242689.db2.gz DWXYRBFZDZFEGJ-UHFFFAOYSA-N 0 1 290.283 0.788 20 5 CCBDMN CCc1nc(CNC(=O)CCC(C)(C)[N+](=O)[O-])n[nH]1 ZINC001298438950 907243073 /nfs/dbraw/zinc/24/30/73/907243073.db2.gz PXWWVZXXZFJIIL-UHFFFAOYSA-N 0 1 269.305 0.819 20 5 CCBDMN Cc1ccc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])nc1 ZINC001299058245 907375921 /nfs/dbraw/zinc/37/59/21/907375921.db2.gz KDEOZNTYGDMPMY-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN O=C(NC[C@@H](O)c1cnc[nH]1)c1ccc([N+](=O)[O-])[nH]1 ZINC001303581471 908102058 /nfs/dbraw/zinc/10/20/58/908102058.db2.gz VQSLCTIHFDPERG-MRVPVSSYSA-N 0 1 265.229 0.109 20 5 CCBDMN O=C(NCC1(C2(O)CCC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001304202291 908156749 /nfs/dbraw/zinc/15/67/49/908156749.db2.gz PQDVALHCNTYHFH-UHFFFAOYSA-N 0 1 280.284 0.743 20 5 CCBDMN Cc1nc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n[nH]1 ZINC001318247926 909677099 /nfs/dbraw/zinc/67/70/99/909677099.db2.gz BSTVWLHJPCRAAP-UHFFFAOYSA-N 0 1 265.233 0.316 20 5 CCBDMN Cc1n[nH]c(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n1 ZINC001318247926 909677108 /nfs/dbraw/zinc/67/71/08/909677108.db2.gz BSTVWLHJPCRAAP-UHFFFAOYSA-N 0 1 265.233 0.316 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)c2c([N+](=O)[O-])c(C)nn2C)n1 ZINC001320507770 910714471 /nfs/dbraw/zinc/71/44/71/910714471.db2.gz VZBRECGPWPHXKE-UHFFFAOYSA-N 0 1 293.287 0.036 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCC3)C2)n1 ZINC001339677557 921795726 /nfs/dbraw/zinc/79/57/26/921795726.db2.gz IFAQKQIZRSVYDH-VIFPVBQESA-N 0 1 279.300 0.249 20 5 CCBDMN O=C(N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)[C@@H]1CC1[N+](=O)[O-] ZINC001329992006 916343159 /nfs/dbraw/zinc/34/31/59/916343159.db2.gz AQEYBDJXGHWGRF-IFUOQLDVSA-N 0 1 252.270 0.191 20 5 CCBDMN O=C(O[C@@H]1CCO[C@H]([C@@H]2CCOC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001343260520 923250691 /nfs/dbraw/zinc/25/06/91/923250691.db2.gz CHVDXEANQNLJDI-OOCWMUITSA-N 0 1 285.296 0.779 20 5 CCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCNC(=O)C1 ZINC001345987025 924034473 /nfs/dbraw/zinc/03/44/73/924034473.db2.gz GCMVOXRZRWIOGY-FNCVBFRFSA-N 0 1 256.258 0.110 20 5 CCBDMN CCN1CCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 ZINC001355389975 926251127 /nfs/dbraw/zinc/25/11/27/926251127.db2.gz AZCRCUITKVUFTJ-UHFFFAOYSA-N 0 1 282.348 0.166 20 5 CCBDMN CCCN(CCNC(C)=O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001356418080 926379786 /nfs/dbraw/zinc/37/97/86/926379786.db2.gz XPLJHOZSEGHVFX-NXEZZACHSA-N 0 1 257.290 0.026 20 5 CCBDMN CC(C)(C)C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001358661307 926781341 /nfs/dbraw/zinc/78/13/41/926781341.db2.gz MEFOWDGHPQYWNN-RKDXNWHRSA-N 0 1 283.328 0.463 20 5 CCBDMN O=C([O-])[C@@H]1C[C@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000401908873 973521690 /nfs/dbraw/zinc/52/16/90/973521690.db2.gz JHVLBBKJTQZBSU-PWSUYJOCSA-N 0 1 280.280 0.862 20 5 CCBDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC001594167369 998645180 /nfs/dbraw/zinc/64/51/80/998645180.db2.gz PDEKUZDIDXAMSQ-APPZFPTMSA-N 0 1 268.273 0.623 20 5 CCBDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC001594167387 998645306 /nfs/dbraw/zinc/64/53/06/998645306.db2.gz PHWUIGOWWICSRY-HTQZYQBOSA-N 0 1 254.246 0.544 20 5 CCBDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC001594167387 998645310 /nfs/dbraw/zinc/64/53/10/998645310.db2.gz PHWUIGOWWICSRY-HTQZYQBOSA-N 0 1 254.246 0.544 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000124484067 187139760 /nfs/dbraw/zinc/13/97/60/187139760.db2.gz XHAIJOLXYPGNST-MRVPVSSYSA-N 0 1 264.285 0.611 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCc3[nH]cnc3C2)c1[N+](=O)[O-] ZINC000599952411 361841306 /nfs/dbraw/zinc/84/13/06/361841306.db2.gz NLMSYMWSWVLRTN-UHFFFAOYSA-N 0 1 290.283 0.802 20 5 CCBDMN CCc1n[nH]c(C(=O)N2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000599952411 361841307 /nfs/dbraw/zinc/84/13/07/361841307.db2.gz NLMSYMWSWVLRTN-UHFFFAOYSA-N 0 1 290.283 0.802 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000153377573 231691486 /nfs/dbraw/zinc/69/14/86/231691486.db2.gz LNUQNQGOJFDCGM-NXEZZACHSA-N 0 1 295.343 0.699 20 5 CCBDMN CCCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000118494680 349903110 /nfs/dbraw/zinc/90/31/10/349903110.db2.gz DROFJZWUCUFWKH-VIFPVBQESA-N 0 1 295.343 0.952 20 5 CCBDMN C[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N(C)C ZINC000602133714 362513304 /nfs/dbraw/zinc/51/33/04/362513304.db2.gz RKFLVRONFUZDGA-SECBINFHSA-N 0 1 278.312 0.825 20 5 CCBDMN C[C@@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CNCCO1 ZINC000602458000 362627279 /nfs/dbraw/zinc/62/72/79/362627279.db2.gz LFVPGTWFNPSQEW-AWEZNQCLSA-N 0 1 293.323 0.632 20 5 CCBDMN Cn1cc(CN2CCC[C@@H](CCO)C2)c([N+](=O)[O-])n1 ZINC000602465345 362630798 /nfs/dbraw/zinc/63/07/98/362630798.db2.gz PSUHWWWAHVKSJB-JTQLQIEISA-N 0 1 268.317 0.923 20 5 CCBDMN O=C(N[C@H]1CCO[C@H]1C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000367248974 232283972 /nfs/dbraw/zinc/28/39/72/232283972.db2.gz QPPOGHIBWMZCKK-XVKPBYJWSA-N 0 1 266.257 0.615 20 5 CCBDMN CN1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602714663 362767434 /nfs/dbraw/zinc/76/74/34/362767434.db2.gz IQJMAYIJQSMMTC-ZDUSSCGKSA-N 0 1 265.313 0.703 20 5 CCBDMN COCC1(NCc2cn(C)nc2[N+](=O)[O-])CCOCC1 ZINC000602832513 362824722 /nfs/dbraw/zinc/82/47/22/362824722.db2.gz ODASFKOKNPBFCN-UHFFFAOYSA-N 0 1 284.316 0.614 20 5 CCBDMN C[C@@H]1[C@@H](CO)CCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602847604 362834370 /nfs/dbraw/zinc/83/43/70/362834370.db2.gz YJCRKWNMHQXWSB-NXEZZACHSA-N 0 1 268.317 0.921 20 5 CCBDMN Cc1nn(C)c(C)c1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343172288 137118616 /nfs/dbraw/zinc/11/86/16/137118616.db2.gz QTXDINLIWULREW-UHFFFAOYSA-N 0 1 292.299 0.641 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CCCO)C2CC2)c1[N+](=O)[O-] ZINC000618239302 365954411 /nfs/dbraw/zinc/95/44/11/365954411.db2.gz LHUDFNSEPQTCLW-UHFFFAOYSA-N 0 1 282.300 0.867 20 5 CCBDMN O=C(C[C@@H]1COCCN1)Nc1cccc([N+](=O)[O-])c1 ZINC000128870994 187395605 /nfs/dbraw/zinc/39/56/05/187395605.db2.gz NHKPNPZCXMWQTO-SNVBAGLBSA-N 0 1 265.269 0.912 20 5 CCBDMN O=[N+]([O-])c1cccc(CN2[C@@H](CO)CC[C@H]2CO)c1 ZINC000347294450 137329319 /nfs/dbraw/zinc/32/93/19/137329319.db2.gz DEVKJEYTZAIUAW-BETUJISGSA-N 0 1 266.297 0.912 20 5 CCBDMN Cn1cnc(=NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000349410564 137393145 /nfs/dbraw/zinc/39/31/45/137393145.db2.gz JALHYCXVFCBTRK-UHFFFAOYSA-N 0 1 287.239 0.274 20 5 CCBDMN CCN(CC)C(=O)CN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000064335599 348698314 /nfs/dbraw/zinc/69/83/14/348698314.db2.gz RCNLOXBXDKQFKP-UHFFFAOYSA-N 0 1 297.315 0.567 20 5 CCBDMN CN(C)CC(=O)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066808196 348756102 /nfs/dbraw/zinc/75/61/02/348756102.db2.gz CQIASGDXTCUKMW-UHFFFAOYSA-N 0 1 293.327 0.200 20 5 CCBDMN CC(C)[C@H]1CN(C)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000078022639 349128014 /nfs/dbraw/zinc/12/80/14/349128014.db2.gz KOXMTEKSCKBSIR-SNVBAGLBSA-N 0 1 280.332 0.743 20 5 CCBDMN CC[C@@H](CO)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000078522803 349142147 /nfs/dbraw/zinc/14/21/47/349142147.db2.gz NVYZOEUTFZTCJX-NSHDSACASA-N 0 1 280.328 0.883 20 5 CCBDMN Cc1nn(C)c(N[C@@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000078543399 349142929 /nfs/dbraw/zinc/14/29/29/349142929.db2.gz XMHPJBLDSUXFFM-JTQLQIEISA-N 0 1 296.375 0.685 20 5 CCBDMN O=C(NCCCc1nc[nH]n1)c1ccc([N+](=O)[O-])[nH]1 ZINC000080571994 349218604 /nfs/dbraw/zinc/21/86/04/349218604.db2.gz MGXLLXHULHSQMT-UHFFFAOYSA-N 0 1 264.245 0.404 20 5 CCBDMN O=C(NCCc1nc[nH]n1)c1ccc([N+](=O)[O-])cc1F ZINC000080585533 349220156 /nfs/dbraw/zinc/22/01/56/349220156.db2.gz OOOLKBNDDZYENA-UHFFFAOYSA-N 0 1 279.231 0.825 20 5 CCBDMN C[C@H](C[S@](C)=O)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000273487437 192171499 /nfs/dbraw/zinc/17/14/99/192171499.db2.gz MCVUZYWIBMFOMM-XJZHNMMOSA-N 0 1 286.309 0.797 20 5 CCBDMN CC(C)(C)N(CCn1ccc([N+](=O)[O-])n1)CC(N)=O ZINC000131341853 350272911 /nfs/dbraw/zinc/27/29/11/350272911.db2.gz DXMNMKFGGASFKF-UHFFFAOYSA-N 0 1 269.305 0.377 20 5 CCBDMN CN1CCN(C)[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000134626759 350370810 /nfs/dbraw/zinc/37/08/10/350370810.db2.gz PDHXETNKJUJWIW-SNVBAGLBSA-N 0 1 265.317 0.648 20 5 CCBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000106820345 186137886 /nfs/dbraw/zinc/13/78/86/186137886.db2.gz PXDCMOQPGWUZOA-JTQLQIEISA-N 0 1 296.327 0.554 20 5 CCBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1nnc[nH]1 ZINC000164867350 350783989 /nfs/dbraw/zinc/78/39/89/350783989.db2.gz HCSNOKFXUPMVKT-UHFFFAOYSA-N 0 1 291.267 0.994 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)Cc2nc[nH]n2)c1[N+](=O)[O-] ZINC000172617231 350998663 /nfs/dbraw/zinc/99/86/63/350998663.db2.gz IUOALUIXPTYBLC-UHFFFAOYSA-N 0 1 293.287 0.661 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@H](OCCO)C2)c1 ZINC000174864589 351108142 /nfs/dbraw/zinc/10/81/42/351108142.db2.gz DIALNOGDONFKMZ-LBPRGKRZSA-N 0 1 284.316 0.265 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2C[C@@H](O)C[C@H]2CO)c1 ZINC000186477718 351497163 /nfs/dbraw/zinc/49/71/63/351497163.db2.gz IGECLWBEAGJWPZ-RYUDHWBXSA-N 0 1 282.296 0.401 20 5 CCBDMN O=C(NCc1nnc[nH]1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000354180344 137563380 /nfs/dbraw/zinc/56/33/80/137563380.db2.gz NUGVTKKXDZBFGE-UHFFFAOYSA-N 0 1 287.239 0.519 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604267981 363183955 /nfs/dbraw/zinc/18/39/55/363183955.db2.gz OOWSCXIDWHDLOL-SECBINFHSA-N 0 1 266.301 0.757 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C)C1 ZINC000604267981 363183957 /nfs/dbraw/zinc/18/39/57/363183957.db2.gz OOWSCXIDWHDLOL-SECBINFHSA-N 0 1 266.301 0.757 20 5 CCBDMN CCN(CCCO)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000270226612 352913161 /nfs/dbraw/zinc/91/31/61/352913161.db2.gz SUBLCNYVMMJOBN-UHFFFAOYSA-N 0 1 256.262 0.471 20 5 CCBDMN O=C(NC[C@H]1CCC[C@@H]1O)c1n[nH]cc1[N+](=O)[O-] ZINC000270725621 352974383 /nfs/dbraw/zinc/97/43/83/352974383.db2.gz FJTMYRUJMRHVTQ-SVRRBLITSA-N 0 1 254.246 0.209 20 5 CCBDMN CCN1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000270817794 352989677 /nfs/dbraw/zinc/98/96/77/352989677.db2.gz QOXGMWGVKVXONW-UHFFFAOYSA-N 0 1 281.316 0.496 20 5 CCBDMN C[C@@](O)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC000270840697 352993879 /nfs/dbraw/zinc/99/38/79/352993879.db2.gz VDGMCJWBAMFKSZ-LLVKDONJSA-N 0 1 280.240 0.548 20 5 CCBDMN O=C(N[C@@H]1CCCCNC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272482097 353068052 /nfs/dbraw/zinc/06/80/52/353068052.db2.gz BEGIAGIWBOOWBH-LLVKDONJSA-N 0 1 293.279 0.699 20 5 CCBDMN COC[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)OC ZINC000272699548 353085882 /nfs/dbraw/zinc/08/58/82/353085882.db2.gz RQOBRHUMIAPYIL-LLVKDONJSA-N 0 1 284.268 0.692 20 5 CCBDMN Cc1n[nH]c(C(=O)N[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000604547023 363202924 /nfs/dbraw/zinc/20/29/24/363202924.db2.gz VQOSGRORELTWFV-QMMMGPOBSA-N 0 1 267.289 0.450 20 5 CCBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(N(C)C)C1 ZINC000277237511 353232068 /nfs/dbraw/zinc/23/20/68/353232068.db2.gz YDVBESGMLDTGOJ-UHFFFAOYSA-N 0 1 279.296 0.989 20 5 CCBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@](O)(C(N)=O)C1 ZINC000286113499 353563015 /nfs/dbraw/zinc/56/30/15/353563015.db2.gz JBOYLMQLZJWCQX-QMTHXVAHSA-N 0 1 293.323 0.968 20 5 CCBDMN Cc1nc(N2CCN(C[C@@H](C)O)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000295092245 353891088 /nfs/dbraw/zinc/89/10/88/353891088.db2.gz SIPKFWYNRDJTPG-VHSXEESVSA-N 0 1 295.343 0.585 20 5 CCBDMN Cc1nc(N2CCN(C[C@@H](C)O)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000295092240 353891201 /nfs/dbraw/zinc/89/12/01/353891201.db2.gz SIPKFWYNRDJTPG-NXEZZACHSA-N 0 1 295.343 0.585 20 5 CCBDMN O=C(NC[C@@H]1CCC[C@@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000305706946 354152154 /nfs/dbraw/zinc/15/21/54/354152154.db2.gz FBUNDSQSJGDNFM-HTQZYQBOSA-N 0 1 268.273 0.599 20 5 CCBDMN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000332209609 354629437 /nfs/dbraw/zinc/62/94/37/354629437.db2.gz GDXRTRGRWAZEJU-MRVPVSSYSA-N 0 1 293.279 0.651 20 5 CCBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CNCCO1 ZINC000423836267 235094010 /nfs/dbraw/zinc/09/40/10/235094010.db2.gz FKUBYMQYDWQCDQ-LLVKDONJSA-N 0 1 299.714 0.853 20 5 CCBDMN CCN(CC(N)=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339118459 355489792 /nfs/dbraw/zinc/48/97/92/355489792.db2.gz HFHDTRLYJICBEO-UHFFFAOYSA-N 0 1 253.258 0.608 20 5 CCBDMN O=C(NC1(c2nn[nH]n2)CC1)c1ccccc1[N+](=O)[O-] ZINC000348280293 355903394 /nfs/dbraw/zinc/90/33/94/355903394.db2.gz HSMBJBVXEYEDLI-UHFFFAOYSA-N 0 1 274.240 0.527 20 5 CCBDMN CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CN2CCC1CC2 ZINC000352947659 356116995 /nfs/dbraw/zinc/11/69/95/356116995.db2.gz QCTATOKQSMEOSG-SNVBAGLBSA-N 0 1 279.300 0.484 20 5 CCBDMN CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1COC[C@H]1O ZINC000352805160 356084993 /nfs/dbraw/zinc/08/49/93/356084993.db2.gz RDQFNEZIGINXRB-NWDGAFQWSA-N 0 1 282.296 0.665 20 5 CCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1nn[nH]n1 ZINC000609793534 363518091 /nfs/dbraw/zinc/51/80/91/363518091.db2.gz DTMUONRFDNZFBL-UHFFFAOYSA-N 0 1 296.674 0.620 20 5 CCBDMN Cc1nn(CCC(=O)NCc2cnc[nH]2)c(C)c1[N+](=O)[O-] ZINC000359702012 356873781 /nfs/dbraw/zinc/87/37/81/356873781.db2.gz WTUSNEBAUYYVPE-UHFFFAOYSA-N 0 1 292.299 0.838 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(Oc2cnccn2)CC1 ZINC000365970331 357179049 /nfs/dbraw/zinc/17/90/49/357179049.db2.gz QVPYJIFSOINDQU-GHMZBOCLSA-N 0 1 292.295 0.512 20 5 CCBDMN Cn1nccc1[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000376598606 357483137 /nfs/dbraw/zinc/48/31/37/357483137.db2.gz DPNMAUVWBUOKCV-CKYFFXLPSA-N 0 1 278.312 0.791 20 5 CCBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC(=O)N1 ZINC000449523978 236036777 /nfs/dbraw/zinc/03/67/77/236036777.db2.gz MVYQVXBZAVIPGF-MRVPVSSYSA-N 0 1 265.269 0.621 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN3CCC2CC3)n1 ZINC000408158035 357945173 /nfs/dbraw/zinc/94/51/73/357945173.db2.gz AHDZGCKXDPJDEX-UHFFFAOYSA-N 0 1 293.327 0.731 20 5 CCBDMN CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C1 ZINC000579971904 359072047 /nfs/dbraw/zinc/07/20/47/359072047.db2.gz JITLWIMJIIYGFZ-IUCAKERBSA-N 0 1 281.316 0.873 20 5 CCBDMN CN1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)C[C@H]21 ZINC000585781935 359272725 /nfs/dbraw/zinc/27/27/25/359272725.db2.gz DQHONGNMMOQGRI-VXGBXAGGSA-N 0 1 278.312 0.899 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(-c2nc([C@@H]3CCCN3)no2)n1 ZINC000592356799 359823204 /nfs/dbraw/zinc/82/32/04/359823204.db2.gz AKHVBHQJSVIFEP-LURJTMIESA-N 0 1 264.245 0.803 20 5 CCBDMN COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593062227 360024470 /nfs/dbraw/zinc/02/44/70/360024470.db2.gz CZRPADWLGLEADD-CMPLNLGQSA-N 0 1 282.296 0.882 20 5 CCBDMN COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593062227 360024473 /nfs/dbraw/zinc/02/44/73/360024473.db2.gz CZRPADWLGLEADD-CMPLNLGQSA-N 0 1 282.296 0.882 20 5 CCBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3nnc[nH]3)CC2)nc1 ZINC000593507906 360102288 /nfs/dbraw/zinc/10/22/88/360102288.db2.gz JIPKEVNMGMDDBE-UHFFFAOYSA-N 0 1 289.299 0.430 20 5 CCBDMN O=C([O-])C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC000593291436 360062395 /nfs/dbraw/zinc/06/23/95/360062395.db2.gz PBTNSPKYOUIUCD-UHFFFAOYSA-N 0 1 268.273 0.588 20 5 CCBDMN C[C@@H](CO)N[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000593919843 360216410 /nfs/dbraw/zinc/21/64/10/360216410.db2.gz GELRPOSRUOIQFW-KWQFWETISA-N 0 1 293.279 0.197 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594025187 360237398 /nfs/dbraw/zinc/23/73/98/360237398.db2.gz DCVCOYQEXDSFGC-WCQYABFASA-N 0 1 293.323 0.551 20 5 CCBDMN CO[C@H](C)[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594778782 360381585 /nfs/dbraw/zinc/38/15/85/360381585.db2.gz HSILJEUGNCLSEI-JGVFFNPUSA-N 0 1 289.313 0.692 20 5 CCBDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CO1 ZINC000594798185 360385744 /nfs/dbraw/zinc/38/57/44/360385744.db2.gz ZWSYFMCBQMZPKA-HTQZYQBOSA-N 0 1 287.297 0.446 20 5 CCBDMN Cn1nnnc1CCNCc1ccc([N+](=O)[O-])cc1F ZINC000611498498 363727170 /nfs/dbraw/zinc/72/71/70/363727170.db2.gz PHNFRHDMDCCMIM-UHFFFAOYSA-N 0 1 280.263 0.590 20 5 CCBDMN C[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000596257737 360855566 /nfs/dbraw/zinc/85/55/66/360855566.db2.gz JVIIXGPJTSNEHQ-AOOOYVTPSA-N 0 1 296.327 0.587 20 5 CCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](CO)C1 ZINC000179684837 189213593 /nfs/dbraw/zinc/21/35/93/189213593.db2.gz XETKZYPJOJINAC-QMMMGPOBSA-N 0 1 290.279 0.926 20 5 CCBDMN Cc1nc(CC(=O)NCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000596969626 360990527 /nfs/dbraw/zinc/99/05/27/360990527.db2.gz FADOQJHONLDWQA-UHFFFAOYSA-N 0 1 275.268 0.880 20 5 CCBDMN C[C@H](NCC(=O)NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000180443312 189255611 /nfs/dbraw/zinc/25/56/11/189255611.db2.gz KJSIIKQLYKAXPP-ZETCQYMHSA-N 0 1 266.257 0.440 20 5 CCBDMN COCc1nc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)n[nH]1 ZINC000598056505 361326293 /nfs/dbraw/zinc/32/62/93/361326293.db2.gz YQDBCVMWOVWVMR-UHFFFAOYSA-N 0 1 280.244 0.117 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)C(O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000598189685 361353032 /nfs/dbraw/zinc/35/30/32/361353032.db2.gz QPWLZTXVXJXVKD-HTQZYQBOSA-N 0 1 296.327 0.969 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H]3COC[C@]3(C)C2)c1[N+](=O)[O-] ZINC000598233392 361359878 /nfs/dbraw/zinc/35/98/78/361359878.db2.gz VNGNAPCWYYSYMQ-UFBFGSQYSA-N 0 1 280.284 0.735 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCOCC3(CC3)C2)c1 ZINC000611815685 363787551 /nfs/dbraw/zinc/78/75/51/363787551.db2.gz YLMFIIHOKJENPF-UHFFFAOYSA-N 0 1 266.301 0.904 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000598397568 361404083 /nfs/dbraw/zinc/40/40/83/361404083.db2.gz WCNJTDCRXKTDIQ-IUCAKERBSA-N 0 1 280.284 0.735 20 5 CCBDMN COC(=O)[C@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000598519213 361435500 /nfs/dbraw/zinc/43/55/00/361435500.db2.gz YPELRNYZCWLQMN-KYZUINATSA-N 0 1 294.263 0.982 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000598786151 361516776 /nfs/dbraw/zinc/51/67/76/361516776.db2.gz RQRHFUPEXXPDKM-RKDXNWHRSA-N 0 1 296.327 0.971 20 5 CCBDMN Cc1cnc(NCCN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599176412 361599878 /nfs/dbraw/zinc/59/98/78/361599878.db2.gz UAKJBATVDZXPMM-SNVBAGLBSA-N 0 1 266.301 0.777 20 5 CCBDMN CC[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599204155 361611047 /nfs/dbraw/zinc/61/10/47/361611047.db2.gz SXYXDBHDQXBRKX-LURJTMIESA-N 0 1 262.291 0.405 20 5 CCBDMN CC(C)=CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599289862 361636187 /nfs/dbraw/zinc/63/61/87/361636187.db2.gz KMOMRSVFHIDMEZ-UHFFFAOYSA-N 0 1 288.329 0.963 20 5 CCBDMN O=C(NCCn1ccnn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611909331 363805053 /nfs/dbraw/zinc/80/50/53/363805053.db2.gz LGHLDEOYYGULLW-UHFFFAOYSA-N 0 1 277.240 0.322 20 5 CCBDMN C[C@H](Cc1cnc[nH]1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000565180838 291353383 /nfs/dbraw/zinc/35/33/83/291353383.db2.gz FDXLOIPAXHUNHX-SECBINFHSA-N 0 1 292.299 0.509 20 5 CCBDMN O=C(N[C@@H](CO)CN1CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000330801345 203252030 /nfs/dbraw/zinc/25/20/30/203252030.db2.gz IYGDOQXAPWXLAI-SNVBAGLBSA-N 0 1 296.327 0.500 20 5 CCBDMN CCN1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1=O ZINC000276355290 193297518 /nfs/dbraw/zinc/29/75/18/193297518.db2.gz OLYSHSAPDIJAHU-UHFFFAOYSA-N 0 1 295.299 0.321 20 5 CCBDMN COC(=O)C[C@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574570474 335030312 /nfs/dbraw/zinc/03/03/12/335030312.db2.gz PODGXMVXBZIEDU-KWQFWETISA-N 0 1 295.295 0.662 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CCN(C[C@H]3CCOC3)CC2)nc1 ZINC000273587519 285174426 /nfs/dbraw/zinc/17/44/26/285174426.db2.gz GTWDTXDZJNDDCV-LLVKDONJSA-N 0 1 293.327 0.543 20 5 CCBDMN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1 ZINC000395990631 285229748 /nfs/dbraw/zinc/22/97/48/285229748.db2.gz FOBIBDVLUNMOOW-UHFFFAOYSA-N 0 1 252.274 0.747 20 5 CCBDMN COC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000275890850 285298097 /nfs/dbraw/zinc/29/80/97/285298097.db2.gz CBGAXOUTBFPILR-APPZFPTMSA-N 0 1 298.299 0.502 20 5 CCBDMN CC(C)N(CCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000050103832 388925164 /nfs/dbraw/zinc/92/51/64/388925164.db2.gz FMVCILWUCZNFKZ-UHFFFAOYSA-N 0 1 281.312 0.896 20 5 CCBDMN CC(C)(C)C[C@@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000092521407 389028701 /nfs/dbraw/zinc/02/87/01/389028701.db2.gz DHLSBRJDPVDYMY-ZETCQYMHSA-N 0 1 270.289 0.845 20 5 CCBDMN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000302415927 389069901 /nfs/dbraw/zinc/06/99/01/389069901.db2.gz HUNGQRFQHMDMJW-QWRGUYRKSA-N 0 1 280.328 0.881 20 5 CCBDMN CC1CCN(CC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000129926758 389195137 /nfs/dbraw/zinc/19/51/37/389195137.db2.gz CRZSSAHKEKNIAU-UHFFFAOYSA-N 0 1 295.343 0.639 20 5 CCBDMN CC[C@@H](C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)[O-] ZINC000236867592 389175282 /nfs/dbraw/zinc/17/52/82/389175282.db2.gz JABBMCBZPZIDMJ-SECBINFHSA-N 0 1 270.289 0.976 20 5 CCBDMN O=C(NCCOCC(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000134500216 389245888 /nfs/dbraw/zinc/24/58/88/389245888.db2.gz LOBHIOKDDGJSON-UHFFFAOYSA-N 0 1 282.178 0.627 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000330966085 389266788 /nfs/dbraw/zinc/26/67/88/389266788.db2.gz LHNBSVDFDLSMHH-PRHODGIISA-N 0 1 296.279 0.522 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000330966087 389266842 /nfs/dbraw/zinc/26/68/42/389266842.db2.gz LHNBSVDFDLSMHH-UFBFGSQYSA-N 0 1 296.279 0.522 20 5 CCBDMN C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H](C)N1 ZINC000154242312 389311300 /nfs/dbraw/zinc/31/13/00/389311300.db2.gz LZTQRWWUUZMJLN-NXEZZACHSA-N 0 1 295.343 0.735 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000279185730 389565451 /nfs/dbraw/zinc/56/54/51/389565451.db2.gz BZRPIULHRQZUID-ZETCQYMHSA-N 0 1 268.273 0.469 20 5 CCBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])Nc1ccccc1 ZINC000179557135 260054810 /nfs/dbraw/zinc/05/48/10/260054810.db2.gz LWSLNYNAVSFVCO-UHFFFAOYSA-N 0 1 289.251 0.686 20 5 CCBDMN C[C@@H]1[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000445155103 389921710 /nfs/dbraw/zinc/92/17/10/389921710.db2.gz BCGHCSBAAPZBEO-SCZZXKLOSA-N 0 1 294.311 0.908 20 5 CCBDMN C[C@@H]1[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000445155103 389921713 /nfs/dbraw/zinc/92/17/13/389921713.db2.gz BCGHCSBAAPZBEO-SCZZXKLOSA-N 0 1 294.311 0.908 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(-c2nc(C3(N)CCC3)no2)n1 ZINC000584469592 390347629 /nfs/dbraw/zinc/34/76/29/390347629.db2.gz MKAXKEHENDQROC-UHFFFAOYSA-N 0 1 264.245 0.716 20 5 CCBDMN O=C(NC1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000571879172 390756996 /nfs/dbraw/zinc/75/69/96/390756996.db2.gz IBGTVNAGPVXYGS-UHFFFAOYSA-N 0 1 266.257 0.177 20 5 CCBDMN O=C(NC[C@H](O)C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000268436134 132009203 /nfs/dbraw/zinc/00/92/03/132009203.db2.gz SOEKZRIAZYLHFG-NSHDSACASA-N 0 1 290.279 0.972 20 5 CCBDMN COC[C@@H](O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000268650034 132041840 /nfs/dbraw/zinc/04/18/40/132041840.db2.gz OQIGYUNZKOMXCU-QMMMGPOBSA-N 0 1 294.267 0.208 20 5 CCBDMN Cc1cc(N2CCN(C[C@@H](C)O)CC2)ncc1[N+](=O)[O-] ZINC000275896343 135115500 /nfs/dbraw/zinc/11/55/00/135115500.db2.gz YVOIMAUZAOQAJY-LLVKDONJSA-N 0 1 280.328 0.801 20 5 CCBDMN O=C(NC[C@@H](O)[C@H]1CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356584144 144016263 /nfs/dbraw/zinc/01/62/63/144016263.db2.gz WBPBETPDRSYOEQ-QPUJVOFHSA-N 0 1 296.279 0.428 20 5 CCBDMN O=C(NCCc1cn[nH]c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357005942 144050008 /nfs/dbraw/zinc/05/00/08/144050008.db2.gz VRZHHOMFLMSFGE-UHFFFAOYSA-N 0 1 276.252 0.996 20 5 CCBDMN NC(=O)c1ccnc(N2CCN3CCC2CC3)c1[N+](=O)[O-] ZINC000357687602 144112701 /nfs/dbraw/zinc/11/27/01/144112701.db2.gz HIDHPLUQKKQJNZ-UHFFFAOYSA-N 0 1 291.311 0.373 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccon1 ZINC000357936745 144135155 /nfs/dbraw/zinc/13/51/55/144135155.db2.gz RLQGDQIMVDTMJT-RXMQYKEDSA-N 0 1 251.202 0.797 20 5 CCBDMN O=C(NCCc1ccccc1[N+](=O)[O-])c1ncn[nH]1 ZINC000358584153 144164090 /nfs/dbraw/zinc/16/40/90/144164090.db2.gz HELKZKUPDUETQN-UHFFFAOYSA-N 0 1 261.241 0.685 20 5 CCBDMN O=C(NCCc1ccccc1[N+](=O)[O-])c1nc[nH]n1 ZINC000358584153 144164091 /nfs/dbraw/zinc/16/40/91/144164091.db2.gz HELKZKUPDUETQN-UHFFFAOYSA-N 0 1 261.241 0.685 20 5 CCBDMN CC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCS1(=O)=O ZINC000369320714 144264016 /nfs/dbraw/zinc/26/40/16/144264016.db2.gz ALDXOSHGSOSEEF-RKDXNWHRSA-N 0 1 290.341 0.077 20 5 CCBDMN CN(C)C(=O)C(C)(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548123765 286008309 /nfs/dbraw/zinc/00/83/09/286008309.db2.gz GNMRACFGDYNVFN-UHFFFAOYSA-N 0 1 295.295 0.897 20 5 CCBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)CN1C ZINC000408219060 274370125 /nfs/dbraw/zinc/37/01/25/274370125.db2.gz LEJKJVBJFPRNOR-BDAKNGLRSA-N 0 1 251.290 0.914 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN1 ZINC000584293147 327224058 /nfs/dbraw/zinc/22/40/58/327224058.db2.gz XXTJFEXHNQHEQF-MRVPVSSYSA-N 0 1 293.279 0.757 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)C1 ZINC000575002179 330851111 /nfs/dbraw/zinc/85/11/11/330851111.db2.gz ZDFUGNTZTFJHBF-RKDXNWHRSA-N 0 1 281.316 0.873 20 5 CCBDMN Cc1nc(N2CC[C@@H](c3nc[nH]n3)C2)ncc1[N+](=O)[O-] ZINC000425282276 534447396 /nfs/dbraw/zinc/44/73/96/534447396.db2.gz KHMVVOCCCZBWDI-MRVPVSSYSA-N 0 1 275.272 0.805 20 5 CCBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCC(N)=O ZINC000353183753 524259687 /nfs/dbraw/zinc/25/96/87/524259687.db2.gz QGEOXCNWBFVQIU-VIFPVBQESA-N 0 1 294.311 0.729 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2COC[C@H]2O)c1[N+](=O)[O-] ZINC000342440204 535320455 /nfs/dbraw/zinc/32/04/55/535320455.db2.gz OTWGYBGTJQYXJX-JGVFFNPUSA-N 0 1 298.299 0.273 20 5 CCBDMN COC[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000262232103 536861817 /nfs/dbraw/zinc/86/18/17/536861817.db2.gz GYXGEFRCRKWVEV-JTQLQIEISA-N 0 1 267.285 0.227 20 5 CCBDMN CCN(CC)C(=O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780409764 581123282 /nfs/dbraw/zinc/12/32/82/581123282.db2.gz BOWNWDXJJWUYBI-UHFFFAOYSA-N 0 1 295.295 0.899 20 5 CCBDMN O=CN1CCC(OC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000779246088 581178274 /nfs/dbraw/zinc/17/82/74/581178274.db2.gz WRPDMTSNPXXRKF-UHFFFAOYSA-N 0 1 267.241 0.701 20 5 CCBDMN CCO[C@@H]1C[C@@H](O)C12CCN(CC[N+](=O)[O-])CC2 ZINC000791051328 581205917 /nfs/dbraw/zinc/20/59/17/581205917.db2.gz AUYSVYHHVZMXBQ-GHMZBOCLSA-N 0 1 258.318 0.515 20 5 CCBDMN CC(C)c1n[nH]c(COC(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC000795510599 581410167 /nfs/dbraw/zinc/41/01/67/581410167.db2.gz KSPYBLVEQWVJAI-UHFFFAOYSA-N 0 1 294.271 0.927 20 5 CCBDMN CC(C)c1nc(COC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000795510599 581410170 /nfs/dbraw/zinc/41/01/70/581410170.db2.gz KSPYBLVEQWVJAI-UHFFFAOYSA-N 0 1 294.271 0.927 20 5 CCBDMN CCc1cc(CNC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC000766972471 581591164 /nfs/dbraw/zinc/59/11/64/581591164.db2.gz CIXGBCMKSSNLRC-UHFFFAOYSA-N 0 1 278.272 0.544 20 5 CCBDMN O=C(N[C@@H](CO)C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000771030766 581783556 /nfs/dbraw/zinc/78/35/56/581783556.db2.gz JALJWHKXSQASMJ-NSHDSACASA-N 0 1 290.279 0.972 20 5 CCBDMN CC(=O)O[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000763233064 581991417 /nfs/dbraw/zinc/99/14/17/581991417.db2.gz AKBMDYJNEDTPOH-VIFPVBQESA-N 0 1 296.283 0.794 20 5 CCBDMN O=C(O[C@H]1CCCNC1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000776106615 582051669 /nfs/dbraw/zinc/05/16/69/582051669.db2.gz CHPFAHMDPRGUNB-ZETCQYMHSA-N 0 1 253.214 0.358 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@H](O)C[C@H](O)C2)cc1 ZINC000776593061 582083860 /nfs/dbraw/zinc/08/38/60/582083860.db2.gz VIDCDFGQRRGTDF-FRRDWIJNSA-N 0 1 282.296 0.056 20 5 CCBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000828024598 601931605 /nfs/dbraw/zinc/93/16/05/601931605.db2.gz SZBJQJMLCYEBCB-LLVKDONJSA-N 0 1 268.273 0.588 20 5 CCBDMN COc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC000840670665 617193216 /nfs/dbraw/zinc/19/32/16/617193216.db2.gz UUAPKISCXQMTIY-RKDXNWHRSA-N 0 1 252.226 0.799 20 5 CCBDMN COc1ccc(C[C@](C)(CO)NCC[N+](=O)[O-])cc1OC ZINC000933451136 617263234 /nfs/dbraw/zinc/26/32/34/617263234.db2.gz VWUGDHYDPCXESQ-CQSZACIVSA-N 0 1 298.339 0.864 20 5 CCBDMN CC(=O)NCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837341061 613713971 /nfs/dbraw/zinc/71/39/71/613713971.db2.gz RPTPCIRBXXAGEH-UHFFFAOYSA-N 0 1 268.225 0.480 20 5 CCBDMN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839680868 613977817 /nfs/dbraw/zinc/97/78/17/613977817.db2.gz OQCMVNWBEOAIMR-OPRDCNLKSA-N 0 1 299.327 0.777 20 5 CCBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000863145455 614105874 /nfs/dbraw/zinc/10/58/74/614105874.db2.gz JCKLNUCUDBOHHS-NXEZZACHSA-N 0 1 283.328 0.416 20 5 CCBDMN CC(C)COC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842347039 614161724 /nfs/dbraw/zinc/16/17/24/614161724.db2.gz CNCLZRZTUYQOOS-DJLDLDEBSA-N 0 1 259.258 0.783 20 5 CCBDMN CC(C)N1CC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000840670128 614378599 /nfs/dbraw/zinc/37/85/99/614378599.db2.gz AMCUEMHPGAEGQH-IWSPIJDZSA-N 0 1 256.258 0.204 20 5 CCBDMN CC(C)N1CC[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000840670127 614389681 /nfs/dbraw/zinc/38/96/81/614389681.db2.gz AMCUEMHPGAEGQH-HLTSFMKQSA-N 0 1 256.258 0.204 20 5 CCBDMN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000839491643 614506225 /nfs/dbraw/zinc/50/62/25/614506225.db2.gz QASBBDDDAZEEEB-IVZWLZJFSA-N 0 1 290.341 0.077 20 5 CCBDMN CC1(C)[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000880489309 614849379 /nfs/dbraw/zinc/84/93/79/614849379.db2.gz SEUAHKVLMYDASP-KKOKHZNYSA-N 0 1 297.355 0.267 20 5 CCBDMN CC1(C)[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000839689885 614863480 /nfs/dbraw/zinc/86/34/80/614863480.db2.gz ASTPZMRREZGGNP-VAPHQMJDSA-N 0 1 254.286 0.581 20 5 CCBDMN CCOCCCNC(=O)C1CCN(CC[N+](=O)[O-])CC1 ZINC000929258081 615243173 /nfs/dbraw/zinc/24/31/73/615243173.db2.gz UASJGOKSTXLUSW-UHFFFAOYSA-N 0 1 287.360 0.518 20 5 CCBDMN CCN1CC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000882485049 615243304 /nfs/dbraw/zinc/24/33/04/615243304.db2.gz OTDLMUSDXODZLA-LLVKDONJSA-N 0 1 295.343 0.700 20 5 CCBDMN CCOC(=O)[C@H](CCSC)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842957431 615353564 /nfs/dbraw/zinc/35/35/64/615353564.db2.gz FXZQLAJRNJUGLZ-HLTSFMKQSA-N 0 1 291.325 0.880 20 5 CCBDMN CC[C@@H](O)[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000912113368 615543870 /nfs/dbraw/zinc/54/38/70/615543870.db2.gz LSPMGYNCGJGITR-GWOFURMSSA-N 0 1 256.302 0.804 20 5 CCBDMN CC[C@@H]1C(=O)N(CC)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839730485 615548916 /nfs/dbraw/zinc/54/89/16/615548916.db2.gz JHZOAGWMTGYZSY-OPRDCNLKSA-N 0 1 269.301 0.121 20 5 CCBDMN CN(C(=O)[O-])[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000827889048 615845802 /nfs/dbraw/zinc/84/58/02/615845802.db2.gz BIEYCDHERLDLDE-VIFPVBQESA-N 0 1 283.288 0.475 20 5 CCBDMN CCc1noc([C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000840672554 615849230 /nfs/dbraw/zinc/84/92/30/615849230.db2.gz UFLPYWUXAXYIHD-FSDSQADBSA-N 0 1 255.230 0.901 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2(CF)CC2)C1 ZINC000954241409 615867345 /nfs/dbraw/zinc/86/73/45/615867345.db2.gz BSFJFDZGBBSXOJ-NXEZZACHSA-N 0 1 299.302 0.071 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@@H]2C)n1 ZINC000928444472 616014879 /nfs/dbraw/zinc/01/48/79/616014879.db2.gz SXKSGYNXKJSSBG-BDAKNGLRSA-N 0 1 281.316 0.634 20 5 CCBDMN CN(C)c1cccnc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839775069 616025300 /nfs/dbraw/zinc/02/53/00/616025300.db2.gz DITSKZUHOOMHNW-LDYMZIIASA-N 0 1 264.285 0.429 20 5 CCBDMN CN(CC(=O)NC[C@@H]1CCN1C)c1ccccc1[N+](=O)[O-] ZINC000928562757 616047550 /nfs/dbraw/zinc/04/75/50/616047550.db2.gz HMZDOPRHXSPVEJ-NSHDSACASA-N 0 1 292.339 0.851 20 5 CCBDMN CN1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000931411583 616242403 /nfs/dbraw/zinc/24/24/03/616242403.db2.gz TYRXYJJLYRDNFV-ZDUSSCGKSA-N 0 1 295.339 0.582 20 5 CCBDMN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840468060 616282082 /nfs/dbraw/zinc/28/20/82/616282082.db2.gz AYTKMYFKVKAXBA-CHWFTXMASA-N 0 1 284.312 0.890 20 5 CCBDMN CN1CC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000928568493 616287929 /nfs/dbraw/zinc/28/79/29/616287929.db2.gz HEPRGCIDQFCJQP-LLVKDONJSA-N 0 1 279.296 0.794 20 5 CCBDMN COC(=O)C1(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000840398793 616367823 /nfs/dbraw/zinc/36/78/23/616367823.db2.gz GXYZXJJTVORVBP-RKDXNWHRSA-N 0 1 270.285 0.596 20 5 CCBDMN CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000855350559 616625952 /nfs/dbraw/zinc/62/59/52/616625952.db2.gz UTWWGISDGWVBAI-PZWNZHSQSA-N 0 1 286.328 0.334 20 5 CCBDMN COC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(O)cc1 ZINC000840421263 616630173 /nfs/dbraw/zinc/63/01/73/616630173.db2.gz AQPICESRNVFTGP-GMTAPVOTSA-N 0 1 294.263 0.388 20 5 CCBDMN COCC1(C2CCC2)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000855529783 616758230 /nfs/dbraw/zinc/75/82/30/616758230.db2.gz UKWBVQDUCVLDDO-GHMZBOCLSA-N 0 1 268.313 0.927 20 5 CCBDMN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886169817 616820596 /nfs/dbraw/zinc/82/05/96/616820596.db2.gz JKJFASXULQPGJF-MNOVXSKESA-N 0 1 278.312 0.994 20 5 CCBDMN COC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC000839695533 616892185 /nfs/dbraw/zinc/89/21/85/616892185.db2.gz HWPRDBSVSBBLCI-IWSPIJDZSA-N 0 1 254.242 0.749 20 5 CCBDMN CNC(=O)c1cccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840670846 616918533 /nfs/dbraw/zinc/91/85/33/616918533.db2.gz KSDSRHLMXZRUCR-GHMZBOCLSA-N 0 1 278.264 0.755 20 5 CCBDMN COC(=O)c1cncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000840394746 616993246 /nfs/dbraw/zinc/99/32/46/616993246.db2.gz HAPGTDPBHJMLMW-RKDXNWHRSA-N 0 1 265.225 0.472 20 5 CCBDMN CO[C@]1(C(F)(F)F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000881688792 617132496 /nfs/dbraw/zinc/13/24/96/617132496.db2.gz IDRWBGYAFRKQMY-ZXFLCMHBSA-N 0 1 282.218 0.831 20 5 CCBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccco1 ZINC000972902944 623331429 /nfs/dbraw/zinc/33/14/29/623331429.db2.gz LOMSGUJIZRWJMF-ZYUZMQFOSA-N 0 1 293.279 0.322 20 5 CCBDMN COc1ncccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673548 631714820 /nfs/dbraw/zinc/71/48/20/631714820.db2.gz SAPZYMYVLZTGBR-RKDXNWHRSA-N 0 1 252.226 0.799 20 5 CCBDMN C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1CN(C)CCN1C ZINC000895248176 632032205 /nfs/dbraw/zinc/03/22/05/632032205.db2.gz JINKEWCKNFBWLV-ONGXEEELSA-N 0 1 280.332 0.431 20 5 CCBDMN CCC(=O)N1CCC(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000988398604 633009933 /nfs/dbraw/zinc/00/99/33/633009933.db2.gz YSHVJNZWERFAMO-VXGBXAGGSA-N 0 1 297.355 0.759 20 5 CCBDMN O=C(NCC[C@@H](NC1CC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000900810861 634094675 /nfs/dbraw/zinc/09/46/75/634094675.db2.gz UQUYUPSTDOGPNV-IWSPIJDZSA-N 0 1 295.261 0.841 20 5 CCBDMN CC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001010439623 650228730 /nfs/dbraw/zinc/22/87/30/650228730.db2.gz ZQZKCAIWJDEFFP-GHMZBOCLSA-N 0 1 281.312 0.123 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000911801082 636393582 /nfs/dbraw/zinc/39/35/82/636393582.db2.gz YALZKPBHRUMAAD-DTORHVGOSA-N 0 1 281.316 0.309 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912919828 636704088 /nfs/dbraw/zinc/70/40/88/636704088.db2.gz PBRFQIZNZRBCAF-LLVKDONJSA-N 0 1 293.327 0.406 20 5 CCBDMN CN1CC[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000227219697 637013996 /nfs/dbraw/zinc/01/39/96/637013996.db2.gz TVVNYBBLTZZQKR-RYUDHWBXSA-N 0 1 279.296 0.449 20 5 CCBDMN O=C(NCC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839540227 640342707 /nfs/dbraw/zinc/34/27/07/640342707.db2.gz JBCAIHBJTTZMNL-QJPTWQEYSA-N 0 1 295.339 0.416 20 5 CCBDMN C[C@@H]1OCC[C@@]12CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C[C@@H](C)O2 ZINC000839750126 640361018 /nfs/dbraw/zinc/36/10/18/640361018.db2.gz ZDKNTTGZNKMMSF-UYNYGYNWSA-N 0 1 284.312 0.447 20 5 CCBDMN C[C@H](c1ccccc1)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(N)=O ZINC000839777595 640364264 /nfs/dbraw/zinc/36/42/64/640364264.db2.gz TZGFQQHADUGFSI-HJQYOEGKSA-N 0 1 291.307 0.425 20 5 CCBDMN CO[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C12CCC2 ZINC000839798191 640383319 /nfs/dbraw/zinc/38/33/19/640383319.db2.gz KLEKZQGNAAWBQY-IMSYWVGJSA-N 0 1 254.286 0.725 20 5 CCBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1c[nH]nn1 ZINC000801914795 640673346 /nfs/dbraw/zinc/67/33/46/640673346.db2.gz GOLSZOCBZWJOTP-UHFFFAOYSA-N 0 1 280.219 0.364 20 5 CCBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cnc[nH]1 ZINC000801909306 640673461 /nfs/dbraw/zinc/67/34/61/640673461.db2.gz LOAWSRGVFJMJEU-UHFFFAOYSA-N 0 1 279.231 0.969 20 5 CCBDMN O=C(OCCn1ccnc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000802227943 640691761 /nfs/dbraw/zinc/69/17/61/640691761.db2.gz HRDGPPCURHLPIR-UHFFFAOYSA-N 0 1 250.214 0.976 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000808751689 640877814 /nfs/dbraw/zinc/87/78/14/640877814.db2.gz HHMDDKQWMCVAHA-MRVWCRGKSA-N 0 1 296.323 0.303 20 5 CCBDMN COCCN(CC(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840313330 641057246 /nfs/dbraw/zinc/05/72/46/641057246.db2.gz TVJIUOUXTMVGTO-RNFRBKRXSA-N 0 1 270.207 0.689 20 5 CCBDMN C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Cn1ccnc1 ZINC000840357508 641320669 /nfs/dbraw/zinc/32/06/69/641320669.db2.gz JFAMIEMLYPYVEH-OPRDCNLKSA-N 0 1 252.274 0.301 20 5 CCBDMN COC(=O)c1cnc([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000819634524 641422856 /nfs/dbraw/zinc/42/28/56/641422856.db2.gz BTTTXOYDFIWYLW-FSDSQADBSA-N 0 1 299.308 0.772 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CC1CN(C)C1 ZINC000825181485 641873659 /nfs/dbraw/zinc/87/36/59/641873659.db2.gz SSJUBKVZQACBTO-UHFFFAOYSA-N 0 1 281.316 0.120 20 5 CCBDMN O=C(NC[C@@H]1CCCN1CC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000830939608 642303141 /nfs/dbraw/zinc/30/31/41/642303141.db2.gz ZDRWRJQFCSAXOQ-DJLDLDEBSA-N 0 1 295.261 0.795 20 5 CCBDMN C[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)N(C)C ZINC000832401444 642475190 /nfs/dbraw/zinc/47/51/90/642475190.db2.gz YSCQUROEPWRWBH-ZETCQYMHSA-N 0 1 293.370 0.885 20 5 CCBDMN O=C(Nc1nc2ccccc2c(=O)[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC000841099963 642803393 /nfs/dbraw/zinc/80/33/93/642803393.db2.gz BNNMMTZAZIZLCY-VXNVDRBHSA-N 0 1 274.236 0.939 20 5 CCBDMN O=C(N[C@@H]1CCN(CC(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000841473158 642820417 /nfs/dbraw/zinc/82/04/17/642820417.db2.gz KRHRWANISARHEL-BWZBUEFSSA-N 0 1 263.244 0.107 20 5 CCBDMN O=C(N[C@H]1CCN(CC(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000841473159 642820683 /nfs/dbraw/zinc/82/06/83/642820683.db2.gz KRHRWANISARHEL-XLPZGREQSA-N 0 1 263.244 0.107 20 5 CCBDMN C[C@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCC(=O)NC1 ZINC000842412346 642897390 /nfs/dbraw/zinc/89/73/90/642897390.db2.gz CVYVFEACGXIBRT-XLDPMVHQSA-N 0 1 256.258 0.111 20 5 CCBDMN O=C(N[C@@H](CCO)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000854614231 644236199 /nfs/dbraw/zinc/23/61/99/644236199.db2.gz UYBWRAMKDIMSHI-PBXRRBTRSA-N 0 1 256.180 0.081 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000857279791 644491909 /nfs/dbraw/zinc/49/19/09/644491909.db2.gz DFOBELRJNZYACV-PZWNZHSQSA-N 0 1 284.312 0.040 20 5 CCBDMN C[C@@H]1CC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000859123044 644669200 /nfs/dbraw/zinc/66/92/00/644669200.db2.gz MCMHJZVDLWPEHR-SFYZADRCSA-N 0 1 288.329 0.795 20 5 CCBDMN O=C(NCCN1CC[C@H](O)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000863832549 645133001 /nfs/dbraw/zinc/13/30/01/645133001.db2.gz ZIPLTSLFXIHBKO-JTQLQIEISA-N 0 1 297.286 0.530 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H](C(F)F)CC1 ZINC000870648592 646014835 /nfs/dbraw/zinc/01/48/35/646014835.db2.gz IAVUZYQBSNZKMJ-PRJMDXOYSA-N 0 1 264.228 0.534 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H](O)CC2(CCOCC2)C1 ZINC000882955097 647468678 /nfs/dbraw/zinc/46/86/78/647468678.db2.gz CNEKMNYORZBVSS-GMTAPVOTSA-N 0 1 284.312 0.042 20 5 CCBDMN O=C(N[C@@H]1CCOC12CCOCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000890449718 648300347 /nfs/dbraw/zinc/30/03/47/648300347.db2.gz KVVKNLXRPMSQEH-OPRDCNLKSA-N 0 1 270.285 0.106 20 5 CCBDMN O=[N+]([O-])CCN1CCCC[C@H]1CN1CCOCC1 ZINC000929747225 648787045 /nfs/dbraw/zinc/78/70/45/648787045.db2.gz KCNIEYNILXIYOU-LBPRGKRZSA-N 0 1 257.334 0.450 20 5 CCBDMN O=C(NCc1ccccc1)[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000930820085 648910637 /nfs/dbraw/zinc/91/06/37/648910637.db2.gz JYROYPVERPQUJI-ZDUSSCGKSA-N 0 1 277.324 0.901 20 5 CCBDMN O=[N+]([O-])C[C@@H](Oc1nc(F)nc2nc[nH]c21)C1CC1 ZINC001234688441 806298436 /nfs/dbraw/zinc/29/84/36/806298436.db2.gz AOFJKGWNIDIPGO-ZCFIWIBFSA-N 0 1 267.220 0.926 20 5 CCBDMN O=C(N[C@@H]1CN2CCC1CC2)c1ccc([N+](=O)[O-])cn1 ZINC001120687254 798913982 /nfs/dbraw/zinc/91/39/82/798913982.db2.gz NGHIIIKDEFPWAI-GFCCVEGCSA-N 0 1 276.296 0.814 20 5 CCBDMN CN(C)C1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001153183028 800606778 /nfs/dbraw/zinc/60/67/78/800606778.db2.gz XNOBHNRCVPXCAL-UHFFFAOYSA-N 0 1 273.680 0.357 20 5 CCBDMN O=C(NC1(c2ncon2)CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001157181162 801320027 /nfs/dbraw/zinc/32/00/27/801320027.db2.gz NMTFZRKOXPBQDF-UHFFFAOYSA-N 0 1 278.228 0.510 20 5 CCBDMN COc1nc(C)c([N+](=O)[O-])c(-n2c(C)cnc2CN)n1 ZINC001158163702 801580441 /nfs/dbraw/zinc/58/04/41/801580441.db2.gz BLCSQBFDPXIYBW-UHFFFAOYSA-N 0 1 278.272 0.655 20 5 CCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC1CN(C)C1 ZINC001159219850 801775881 /nfs/dbraw/zinc/77/58/81/801775881.db2.gz OVDOINYIWSVUFR-UHFFFAOYSA-N 0 1 252.274 0.510 20 5 CCBDMN Nc1ccnc(NCc2noc3c2CNCC3)c1[N+](=O)[O-] ZINC001163129964 802488944 /nfs/dbraw/zinc/48/89/44/802488944.db2.gz RPAPLQBTUJZYFQ-UHFFFAOYSA-N 0 1 290.283 0.818 20 5 CCBDMN Cc1nnc(CN)n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001163345661 802539618 /nfs/dbraw/zinc/53/96/18/802539618.db2.gz BSELPAYUXFVAJB-UHFFFAOYSA-N 0 1 279.216 0.246 20 5 CCBDMN Cc1nnc(CN)n1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001163346334 802539655 /nfs/dbraw/zinc/53/96/55/802539655.db2.gz NRQDTKQXGUCNCN-UHFFFAOYSA-N 0 1 268.664 0.991 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2C[C@@H](O)C2)cc1O ZINC001218417538 803955619 /nfs/dbraw/zinc/95/56/19/803955619.db2.gz LPVUUWAFHRGELF-KNVOCYPGSA-N 0 1 283.236 0.989 20 5 CCBDMN C[C@@H](C[N+](C)(C)C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228142194 805417178 /nfs/dbraw/zinc/41/71/78/805417178.db2.gz ZVDTUAKUUUGJCV-ZETCQYMHSA-O 0 1 257.270 0.564 20 5 CCBDMN O=c1[nH]c(C2CC2)nc(OC2COCOC2)c1[N+](=O)[O-] ZINC001228604239 805459056 /nfs/dbraw/zinc/45/90/56/805459056.db2.gz PWQXTJWYXMUYJS-UHFFFAOYSA-N 0 1 283.240 0.720 20 5 CCBDMN Cc1nc(OC(=O)CCC[C@@H](C)O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378748 805526265 /nfs/dbraw/zinc/52/62/65/805526265.db2.gz JRACAHSPTUUEAD-ZCFIWIBFSA-N 0 1 285.256 0.855 20 5 CCBDMN COc1ccc([N+](=O)[O-])nc1-n1c(C)ncc(CN)c1=N ZINC001167674931 811206559 /nfs/dbraw/zinc/20/65/59/811206559.db2.gz ZVPSBHRRFOFMTA-UHFFFAOYSA-N 0 1 290.283 0.431 20 5 CCBDMN O=C(NC1CN(CCOCC2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001267645340 811612447 /nfs/dbraw/zinc/61/24/47/811612447.db2.gz UULJVFSEJBAHIW-CHWSQXEVSA-N 0 1 297.355 0.269 20 5 CCBDMN O=C(NCC1CN(Cc2cscn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031660826 817227036 /nfs/dbraw/zinc/22/70/36/817227036.db2.gz TVEXYAJNONJJQI-GHMZBOCLSA-N 0 1 296.352 0.356 20 5 CCBDMN Nc1ccc(C(=O)NC23CCN(CC2)C3)cc1[N+](=O)[O-] ZINC000715810035 818497985 /nfs/dbraw/zinc/49/79/85/818497985.db2.gz CFRAUZQSPMJDGH-UHFFFAOYSA-N 0 1 276.296 0.755 20 5 CCBDMN CCCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989740 820128509 /nfs/dbraw/zinc/12/85/09/820128509.db2.gz PIPYQHMVZVPXRJ-NXEZZACHSA-N 0 1 283.328 0.607 20 5 CCBDMN CCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079217293 820334846 /nfs/dbraw/zinc/33/48/46/820334846.db2.gz NOCMMYRRFYKUNJ-GHMZBOCLSA-N 0 1 283.328 0.511 20 5 CCBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC(N3CC(F)C3)C2)C1 ZINC001169005983 836096094 /nfs/dbraw/zinc/09/60/94/836096094.db2.gz DUTREZXBLLYCQD-MWLCHTKSSA-N 0 1 257.309 0.770 20 5 CCBDMN O=C1OC[C@H]2CN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCN12 ZINC001169033236 836108667 /nfs/dbraw/zinc/10/86/67/836108667.db2.gz BMQANXCZVCMXQN-GMTAPVOTSA-N 0 1 269.301 0.568 20 5 CCBDMN O=C1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]2CCCN12 ZINC001169038593 836112178 /nfs/dbraw/zinc/11/21/78/836112178.db2.gz ZZLWYXCGUVFGIT-IJLUTSLNSA-N 0 1 267.329 0.738 20 5 CCBDMN COc1ccc([N+](=O)[O-])c(-n2c(C)cnc2CN)n1 ZINC001169021351 836115841 /nfs/dbraw/zinc/11/58/41/836115841.db2.gz BVHJJICGCPQVPR-UHFFFAOYSA-N 0 1 263.257 0.951 20 5 CCBDMN CC(=O)N1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001135881566 839446858 /nfs/dbraw/zinc/44/68/58/839446858.db2.gz VHWIDCVFZIVISN-UHFFFAOYSA-N 0 1 281.272 0.059 20 5 CCBDMN CCOc1cnc(N[C@](N)(CC)CO)c([N+](=O)[O-])c1 ZINC001170860024 839453901 /nfs/dbraw/zinc/45/39/01/839453901.db2.gz RWPJDHZCYPCGGA-LLVKDONJSA-N 0 1 270.289 0.858 20 5 CCBDMN CC[C@@](N)(CO)Nc1c(C)c([N+](=O)[O-])cnc1C(=O)OC ZINC001170864872 839457716 /nfs/dbraw/zinc/45/77/16/839457716.db2.gz JTGXWWUOPRWHGX-LBPRGKRZSA-N 0 1 298.299 0.554 20 5 CCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CN(C)CCN1C ZINC001136874808 839794129 /nfs/dbraw/zinc/79/41/29/839794129.db2.gz TZYZIHSIRPHETJ-JOYOIKCWSA-N 0 1 295.343 0.287 20 5 CCBDMN Cc1nc(NCCNC(=O)c2cnn[nH]2)ccc1[N+](=O)[O-] ZINC001094243465 841568874 /nfs/dbraw/zinc/56/88/74/841568874.db2.gz QDHFHSXGIICQEW-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN Cc1n[nH]c(C(=O)N[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001176468395 842371847 /nfs/dbraw/zinc/37/18/47/842371847.db2.gz ZEAANPNLXKOAHD-VIFPVBQESA-N 0 1 279.300 0.450 20 5 CCBDMN C[C@@H]1[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCN1C ZINC001178224229 842796557 /nfs/dbraw/zinc/79/65/57/842796557.db2.gz FFAHKWXVHQCVLG-RQJHMYQMSA-N 0 1 253.262 0.140 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CCc2ncon2)c1[N+](=O)[O-] ZINC001178824484 842923809 /nfs/dbraw/zinc/92/38/09/842923809.db2.gz SRJZUVBCVBZZNX-UHFFFAOYSA-N 0 1 280.244 0.324 20 5 CCBDMN NC(=O)c1cc[nH]c(=NOC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC001117647496 856034422 /nfs/dbraw/zinc/03/44/22/856034422.db2.gz FQILVSMTTJWFFQ-ZETCQYMHSA-N 0 1 282.256 0.469 20 5 CCBDMN CCc1nc([C@@H](C)OC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC001118392234 856287245 /nfs/dbraw/zinc/28/72/45/856287245.db2.gz BDVKMFYTDPIHIE-ZCFIWIBFSA-N 0 1 294.271 0.927 20 5 CCBDMN CC(=O)N(CCO)CCNCc1csc([N+](=O)[O-])c1 ZINC001484473834 896423033 /nfs/dbraw/zinc/42/30/33/896423033.db2.gz LDAFNLSLFYRNAR-UHFFFAOYSA-N 0 1 287.341 0.587 20 5 CCBDMN O=C(Cc1ccoc1)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001283231456 904771721 /nfs/dbraw/zinc/77/17/21/904771721.db2.gz NUZRPPAIFSGACK-GHMZBOCLSA-N 0 1 295.295 0.110 20 5 CCBDMN CCCC1(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001284522132 905357953 /nfs/dbraw/zinc/35/79/53/905357953.db2.gz QYSKEPSBLUBGNZ-GHMZBOCLSA-N 0 1 297.355 0.807 20 5 CCBDMN CN(CCCNC(=O)C1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001293907689 906527043 /nfs/dbraw/zinc/52/70/43/906527043.db2.gz PQXVLZMMLLHRPE-NXEZZACHSA-N 0 1 269.301 0.026 20 5 CCBDMN C/C=C(\C)C(=O)N(CC)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296300988 906900604 /nfs/dbraw/zinc/90/06/04/906900604.db2.gz OGYOWXNMPNQLBD-MJMLHWTPSA-N 0 1 283.328 0.583 20 5 CCBDMN C/C=C(/C)C(=O)NCCN(CCC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296491232 906924245 /nfs/dbraw/zinc/92/42/45/906924245.db2.gz HSWGPSGHIJBVNQ-XRHVUQDBSA-N 0 1 297.355 0.973 20 5 CCBDMN CC1(CCC(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001297131621 907027101 /nfs/dbraw/zinc/02/71/01/907027101.db2.gz AEATYEMFOMOFRI-GHMZBOCLSA-N 0 1 295.339 0.559 20 5 CCBDMN CCN1CCN(c2nnc(CCC[N+](=O)[O-])n2C)C[C@H]1C ZINC001338013666 921339368 /nfs/dbraw/zinc/33/93/68/921339368.db2.gz CTPIQVWKEGMMBQ-LLVKDONJSA-N 0 1 296.375 0.555 20 5 CCBDMN O=C(N[C@@H]1CCCn2nccc21)c1n[nH]cc1[N+](=O)[O-] ZINC001302905147 908051648 /nfs/dbraw/zinc/05/16/48/908051648.db2.gz XTGYHEOPKDBEBK-SSDOTTSWSA-N 0 1 276.256 0.779 20 5 CCBDMN Cc1[nH]nc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1C ZINC001303257784 908076124 /nfs/dbraw/zinc/07/61/24/908076124.db2.gz MRLRYTSIQSVIKO-UHFFFAOYSA-N 0 1 291.267 0.965 20 5 CCBDMN COc1cn(C)nc1[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001304058511 908136926 /nfs/dbraw/zinc/13/69/26/908136926.db2.gz DRGOSTCGWPBXRG-BWZBUEFSSA-N 0 1 268.273 0.271 20 5 CCBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](O)C(F)F ZINC001306852697 908268078 /nfs/dbraw/zinc/26/80/78/908268078.db2.gz QVJZAQRPBWSJCW-FFWSUHOLSA-N 0 1 278.215 0.452 20 5 CCBDMN CCc1nc(CNc2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC001307125872 908284147 /nfs/dbraw/zinc/28/41/47/908284147.db2.gz BAJDIJGGUHPBPF-UHFFFAOYSA-N 0 1 251.250 0.621 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CC=CC1 ZINC001318713837 909869502 /nfs/dbraw/zinc/86/95/02/909869502.db2.gz PIWKXSIJMZLZFY-UHFFFAOYSA-N 0 1 279.300 0.088 20 5 CCBDMN Cc1nnc(NC(=O)c2nn(C)cc2[N+](=O)[O-])s1 ZINC001319657290 910242791 /nfs/dbraw/zinc/24/27/91/910242791.db2.gz LRONJHSDYNKZJL-UHFFFAOYSA-N 0 1 268.258 0.741 20 5 CCBDMN COC1(CO)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC001329918023 916274332 /nfs/dbraw/zinc/27/43/32/916274332.db2.gz LHDOMAFBGQAUOD-UHFFFAOYSA-N 0 1 298.299 0.240 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](c3nnc[nH]3)C2)c1[N+](=O)[O-] ZINC001330451591 916640072 /nfs/dbraw/zinc/64/00/72/916640072.db2.gz GLUPNQCBNXMBBN-SSDOTTSWSA-N 0 1 291.271 0.374 20 5 CCBDMN COCC1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCOCC1 ZINC001330460578 916641801 /nfs/dbraw/zinc/64/18/01/916641801.db2.gz DWYZVDWTJCDKHA-UHFFFAOYSA-N 0 1 284.272 0.243 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)C[C@H](O)CCO2 ZINC001334008078 919317876 /nfs/dbraw/zinc/31/78/76/919317876.db2.gz AYTAEDBMCONHNA-GMTAPVOTSA-N 0 1 284.312 0.184 20 5 CCBDMN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cnccn1 ZINC001335318434 920120075 /nfs/dbraw/zinc/12/00/75/920120075.db2.gz VGDWPZFBDNLIFS-MWLCHTKSSA-N 0 1 292.299 0.293 20 5 CCBDMN Cc1cc(C[C@@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC001341474196 922504295 /nfs/dbraw/zinc/50/42/95/922504295.db2.gz UHDLITRJAUIMRV-SSDOTTSWSA-N 0 1 292.299 0.721 20 5 CCBDMN C[C@@H](CNC(=O)[C@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001342075263 922791942 /nfs/dbraw/zinc/79/19/42/922791942.db2.gz VDRCXRRWIISNLR-GXFFZTMASA-N 0 1 293.323 0.803 20 5 CCBDMN O=C(O[C@@H]1CCO[C@@H]([C@H]2CCOC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001343260522 923252961 /nfs/dbraw/zinc/25/29/61/923252961.db2.gz CHVDXEANQNLJDI-VSSNEEPJSA-N 0 1 285.296 0.779 20 5 CCBDMN O=C(NN1CCCNC1=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001447217721 930591874 /nfs/dbraw/zinc/59/18/74/930591874.db2.gz PDEQECVDHGVGBN-UHFFFAOYSA-N 0 1 288.651 0.031 20 5 CCBDMN C[N@@H+](CCO)CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001598496541 992372501 /nfs/dbraw/zinc/37/25/01/992372501.db2.gz PXTYFLMRGCYDCK-UHFFFAOYSA-N 0 1 284.272 0.024 20 5 CCBDMN CO[C@]1(C(=O)[O-])CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001599079087 996954155 /nfs/dbraw/zinc/95/41/55/996954155.db2.gz NFJLZKPEZBOEDO-GFCCVEGCSA-N 0 1 281.268 0.665 20 5 CCBDMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001599079087 996954167 /nfs/dbraw/zinc/95/41/67/996954167.db2.gz NFJLZKPEZBOEDO-GFCCVEGCSA-N 0 1 281.268 0.665 20 5 CCBDMN COC[C@](C)(CC(=O)[O-])[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC001599150452 998287813 /nfs/dbraw/zinc/28/78/13/998287813.db2.gz MLGJSCUAKRBVNK-NSHDSACASA-N 0 1 287.272 0.861 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCNC[C@H]1C ZINC000124491904 187140041 /nfs/dbraw/zinc/14/00/41/187140041.db2.gz DZUYCSOYCWSZHC-SECBINFHSA-N 0 1 281.316 0.310 20 5 CCBDMN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1COCCN1 ZINC000599910729 361827907 /nfs/dbraw/zinc/82/79/07/361827907.db2.gz SRTSJCGIJRXEFX-LLVKDONJSA-N 0 1 294.311 0.382 20 5 CCBDMN CC[NH+]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000098138224 349654032 /nfs/dbraw/zinc/65/40/32/349654032.db2.gz BEQMMSGKLVJSLE-UHFFFAOYSA-N 0 1 280.284 0.830 20 5 CCBDMN CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000102705692 349683343 /nfs/dbraw/zinc/68/33/43/349683343.db2.gz JRPHKVCBQQABTN-UHFFFAOYSA-N 0 1 282.300 0.767 20 5 CCBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000412721910 529580802 /nfs/dbraw/zinc/58/08/02/529580802.db2.gz PPINOKMLQUKGPD-XVKPBYJWSA-N 0 1 270.289 0.843 20 5 CCBDMN C[C@@H](C[S@@](C)=O)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000126155960 187220855 /nfs/dbraw/zinc/22/08/55/187220855.db2.gz NOOXOHFZBKNRTI-YYSFKGJASA-N 0 1 274.346 0.490 20 5 CCBDMN O=C(Cc1ccccc1[N+](=O)[O-])NCCN1CC[C@H](O)C1 ZINC000600810347 362067535 /nfs/dbraw/zinc/06/75/35/362067535.db2.gz YFYLWCUTFAKWMG-LBPRGKRZSA-N 0 1 293.323 0.320 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ncccc1O ZINC000154792042 290691699 /nfs/dbraw/zinc/69/16/99/290691699.db2.gz OOHSGCXMILNORU-UHFFFAOYSA-N 0 1 263.213 0.681 20 5 CCBDMN C[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1CO ZINC000602818663 362817529 /nfs/dbraw/zinc/81/75/29/362817529.db2.gz WLCHWJCAHICADH-PSASIEDQSA-N 0 1 254.290 0.531 20 5 CCBDMN C[C@H]1OCC[C@]1(C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602824110 362820383 /nfs/dbraw/zinc/82/03/83/362820383.db2.gz WQGOBBQTWMCSPK-KCJUWKMLSA-N 0 1 254.290 0.985 20 5 CCBDMN C[C@@H]1C[C@H](O)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000340903457 137086087 /nfs/dbraw/zinc/08/60/87/137086087.db2.gz IIHZQKFTOGMVAS-KCJUWKMLSA-N 0 1 279.296 0.649 20 5 CCBDMN C[C@@H](CN1CCCC1=O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343209950 137121010 /nfs/dbraw/zinc/12/10/10/137121010.db2.gz JEFVDVBQDHUMJK-ZETCQYMHSA-N 0 1 281.272 0.059 20 5 CCBDMN COCC[C@@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000343922618 137166979 /nfs/dbraw/zinc/16/69/79/137166979.db2.gz HURMOLGTVHZBCJ-VIFPVBQESA-N 0 1 284.268 0.428 20 5 CCBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000343390157 137132475 /nfs/dbraw/zinc/13/24/75/137132475.db2.gz PBPJKCNYAZNKSD-UHFFFAOYSA-N 0 1 299.250 0.573 20 5 CCBDMN CCN1C[C@H](C)N(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000344450111 137195009 /nfs/dbraw/zinc/19/50/09/137195009.db2.gz LMERECQCMZUUHS-QWRGUYRKSA-N 0 1 295.343 0.732 20 5 CCBDMN CS(=O)(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000037740643 348200197 /nfs/dbraw/zinc/20/01/97/348200197.db2.gz YIGQYFLSXPFKDB-UHFFFAOYSA-N 0 1 258.299 0.729 20 5 CCBDMN COc1cc(CN2CCN(C)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000602904709 362878805 /nfs/dbraw/zinc/87/88/05/362878805.db2.gz KOAPZGWAVOVZSY-LBPRGKRZSA-N 0 1 295.339 0.712 20 5 CCBDMN CCCN(CC(N)=O)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000346896449 137310447 /nfs/dbraw/zinc/31/04/47/137310447.db2.gz XXJXYEDARWFZME-UHFFFAOYSA-N 0 1 283.288 0.218 20 5 CCBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)CO ZINC000347499448 137339713 /nfs/dbraw/zinc/33/97/13/137339713.db2.gz KNQXMFPVMSGZLG-LLVKDONJSA-N 0 1 270.285 0.436 20 5 CCBDMN CCC[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1nn[nH]n1 ZINC000347508674 137340340 /nfs/dbraw/zinc/34/03/40/137340340.db2.gz IAWUARCLMCBNQQ-ZCFIWIBFSA-N 0 1 294.275 0.113 20 5 CCBDMN COc1cc(CN2[C@@H](CO)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000347310087 137330719 /nfs/dbraw/zinc/33/07/19/137330719.db2.gz OUEXAQCHKZSKBU-VXGBXAGGSA-N 0 1 296.323 0.921 20 5 CCBDMN CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000075721781 349048759 /nfs/dbraw/zinc/04/87/59/349048759.db2.gz HZUPMZLYDCKRFR-WCFLWFBJSA-N 0 1 298.343 0.652 20 5 CCBDMN Cc1nn(C)c(N[C@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000078543405 349142502 /nfs/dbraw/zinc/14/25/02/349142502.db2.gz XMHPJBLDSUXFFM-SNVBAGLBSA-N 0 1 296.375 0.685 20 5 CCBDMN CC1(C)CNCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000088139574 349357897 /nfs/dbraw/zinc/35/78/97/349357897.db2.gz JQASVXPPSHRCSN-UHFFFAOYSA-N 0 1 299.352 0.967 20 5 CCBDMN O=c1n(Cc2cc(O)ccc2[N+](=O)[O-])nnn1C1CC1 ZINC000413004416 233303952 /nfs/dbraw/zinc/30/39/52/233303952.db2.gz SURQAAPIBQDWGI-UHFFFAOYSA-N 0 1 277.240 0.437 20 5 CCBDMN O=C(N[C@@H]1CCCSC1)c1n[nH]cc1[N+](=O)[O-] ZINC000132224393 350300829 /nfs/dbraw/zinc/30/08/29/350300829.db2.gz HDUMAAFIAPDNFB-ZCFIWIBFSA-N 0 1 256.287 0.943 20 5 CCBDMN O=C(CCNCc1csc([N+](=O)[O-])c1)N1CCOCC1 ZINC000134477869 350365253 /nfs/dbraw/zinc/36/52/53/350365253.db2.gz SPTKBKMILLNCDN-UHFFFAOYSA-N 0 1 299.352 0.995 20 5 CCBDMN Cc1cc(C(=O)NCc2nn[nH]n2)cc([N+](=O)[O-])c1 ZINC000134633392 350372111 /nfs/dbraw/zinc/37/21/11/350372111.db2.gz BIMABUASAZKMLB-UHFFFAOYSA-N 0 1 262.229 0.346 20 5 CCBDMN Cc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n(C)n1 ZINC000138096969 350439364 /nfs/dbraw/zinc/43/93/64/350439364.db2.gz SWKNKDMOFHVSJK-UHFFFAOYSA-N 0 1 264.245 0.290 20 5 CCBDMN C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000106364663 186110973 /nfs/dbraw/zinc/11/09/73/186110973.db2.gz NUZIBHXSQUNCQX-VIFPVBQESA-N 0 1 294.311 0.862 20 5 CCBDMN COC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174807966 351104636 /nfs/dbraw/zinc/10/46/36/351104636.db2.gz LDUFETGVVFFYQA-UHFFFAOYSA-N 0 1 282.300 0.676 20 5 CCBDMN CNC(=O)CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000175030167 351115486 /nfs/dbraw/zinc/11/54/86/351115486.db2.gz FPEFERNUBFCEID-UHFFFAOYSA-N 0 1 295.343 0.639 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](OCCO)C2)n1 ZINC000176246243 351164838 /nfs/dbraw/zinc/16/48/38/351164838.db2.gz VFHBFFSWQFOGAP-LLVKDONJSA-N 0 1 284.316 0.265 20 5 CCBDMN CC(C)(C)[NH2+]CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187115951 351530094 /nfs/dbraw/zinc/53/00/94/351530094.db2.gz SYWXPXJNOGLVQE-UHFFFAOYSA-N 0 1 282.300 0.813 20 5 CCBDMN O=C(N[C@H]1CCCC[C@@H]1O)c1n[nH]cc1[N+](=O)[O-] ZINC000187425930 351542992 /nfs/dbraw/zinc/54/29/92/351542992.db2.gz IIBJZRCYXKVQTE-XPUUQOCRSA-N 0 1 254.246 0.351 20 5 CCBDMN COc1c(C(=O)NCCc2nc[nH]n2)cccc1[N+](=O)[O-] ZINC000121969881 187008094 /nfs/dbraw/zinc/00/80/94/187008094.db2.gz UMADOFSZVRWYBZ-UHFFFAOYSA-N 0 1 291.267 0.694 20 5 CCBDMN Nc1c(C(=O)NCc2cnc[nH]2)cccc1[N+](=O)[O-] ZINC000122882674 187057715 /nfs/dbraw/zinc/05/77/15/187057715.db2.gz MBHMSQWAYFLBJY-UHFFFAOYSA-N 0 1 261.241 0.830 20 5 CCBDMN Nc1ccc(C(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000221434144 351979242 /nfs/dbraw/zinc/97/92/42/351979242.db2.gz HRPPLNRECCVVRZ-UHFFFAOYSA-N 0 1 250.258 0.222 20 5 CCBDMN C[C@H]1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CN1C1CC1 ZINC000271456120 191148461 /nfs/dbraw/zinc/14/84/61/191148461.db2.gz WPIFDNKGVFEMJP-DTWKUNHWSA-N 0 1 293.327 0.683 20 5 CCBDMN O=[N+]([O-])c1cc(F)c(NCc2nn[nH]n2)c(F)c1 ZINC000227890173 352061644 /nfs/dbraw/zinc/06/16/44/352061644.db2.gz KEDBOIFDNPUFCF-UHFFFAOYSA-N 0 1 256.172 0.998 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000236045230 352191317 /nfs/dbraw/zinc/19/13/17/352191317.db2.gz QNQFIUBQCSYSSE-QMMMGPOBSA-N 0 1 299.714 0.966 20 5 CCBDMN CN1CCN(C)[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000264797953 352598026 /nfs/dbraw/zinc/59/80/26/352598026.db2.gz VSQBGOMIJINZLX-JTQLQIEISA-N 0 1 298.368 0.632 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CC[C@H](N2CC=CC2)C1 ZINC000266207947 352689967 /nfs/dbraw/zinc/68/99/67/352689967.db2.gz FMBPIPDDQNKLJC-JTQLQIEISA-N 0 1 263.301 0.779 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCSCC2)c1 ZINC000266426927 352701747 /nfs/dbraw/zinc/70/17/47/352701747.db2.gz KBYYSTIDOISEFA-JTQLQIEISA-N 0 1 272.330 0.201 20 5 CCBDMN CCC[C@@H](NC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1nn[nH]n1 ZINC000268128625 352810181 /nfs/dbraw/zinc/81/01/81/352810181.db2.gz AZTLFMVXEYLNJG-ZCFIWIBFSA-N 0 1 294.275 0.411 20 5 CCBDMN CCC[C@H](CCO)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270791827 352986387 /nfs/dbraw/zinc/98/63/87/352986387.db2.gz KCXLSUSDWNAERO-MRVPVSSYSA-N 0 1 270.289 0.846 20 5 CCBDMN CC[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1O ZINC000270695956 352969281 /nfs/dbraw/zinc/96/92/81/352969281.db2.gz WVUJGEXLIKYWIE-YUMQZZPRSA-N 0 1 268.273 0.469 20 5 CCBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000270940287 353006422 /nfs/dbraw/zinc/00/64/22/353006422.db2.gz YMGTVKARSWQOCI-FFWSUHOLSA-N 0 1 296.205 0.750 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])n1 ZINC000272447656 353064757 /nfs/dbraw/zinc/06/47/57/353064757.db2.gz NENULXUFUCAHEZ-UHFFFAOYSA-N 0 1 290.283 0.576 20 5 CCBDMN C[C@]1(O)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272702472 353087116 /nfs/dbraw/zinc/08/71/16/353087116.db2.gz UXTPOUCMHZGJNE-LBPRGKRZSA-N 0 1 266.253 0.897 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000272811044 353096650 /nfs/dbraw/zinc/09/66/50/353096650.db2.gz LBHSDOVGSAZCMT-SFYZADRCSA-N 0 1 282.300 0.723 20 5 CCBDMN CN(CCc1cccc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000282498750 353429517 /nfs/dbraw/zinc/42/95/17/353429517.db2.gz QRQQZCDTLDCLIH-LBPRGKRZSA-N 0 1 263.297 0.958 20 5 CCBDMN CCN1CCN(c2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000286340985 353579534 /nfs/dbraw/zinc/57/95/34/353579534.db2.gz LZANZMKDFONMME-SECBINFHSA-N 0 1 251.290 0.915 20 5 CCBDMN C[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N(C)C ZINC000618868816 366110919 /nfs/dbraw/zinc/11/09/19/366110919.db2.gz DHRJXFYSTLPZGX-JTQLQIEISA-N 0 1 295.343 0.905 20 5 CCBDMN C[C@H](N[C@@H]1COC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000295946473 353924996 /nfs/dbraw/zinc/92/49/96/353924996.db2.gz LURZDZJENAWZBM-HNBZJPLGSA-N 0 1 267.285 0.587 20 5 CCBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000330440698 354359527 /nfs/dbraw/zinc/35/95/27/354359527.db2.gz DKNWCYHGKPFRCY-VXGBXAGGSA-N 0 1 268.269 0.492 20 5 CCBDMN CC[C@]1(C)COCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330541698 354402136 /nfs/dbraw/zinc/40/21/36/354402136.db2.gz YGEUFRHYWARXBL-QWHCGFSZSA-N 0 1 298.343 0.653 20 5 CCBDMN CCN(C[C@@H](C)O)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000341343979 355657328 /nfs/dbraw/zinc/65/73/28/355657328.db2.gz FRAWBJXOKYPZJT-ZCFIWIBFSA-N 0 1 256.262 0.469 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC)C[C@H](C)O)c1[N+](=O)[O-] ZINC000341350372 355658143 /nfs/dbraw/zinc/65/81/43/355658143.db2.gz BVXLMGMSRWEBCD-ZETCQYMHSA-N 0 1 270.289 0.723 20 5 CCBDMN Cc1c(C(=O)NC2(c3nn[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000348274377 355901788 /nfs/dbraw/zinc/90/17/88/355901788.db2.gz HYFDOOWWCWGNQL-UHFFFAOYSA-N 0 1 288.267 0.835 20 5 CCBDMN NC(=O)[C@@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356310407 356744945 /nfs/dbraw/zinc/74/49/45/356744945.db2.gz IAFGRALOKNGDMJ-JTQLQIEISA-N 0 1 279.252 0.390 20 5 CCBDMN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCn1ccc([N+](=O)[O-])n1 ZINC000364962151 357133926 /nfs/dbraw/zinc/13/39/26/357133926.db2.gz SCTNWFRFLRMNAH-NHCYSSNCSA-N 0 1 293.327 0.377 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1cc[nH]n1 ZINC000376104509 357432774 /nfs/dbraw/zinc/43/27/74/357432774.db2.gz WTJQRFKHEJGTRM-FKTZTGRPSA-N 0 1 250.258 0.738 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000378101085 357647924 /nfs/dbraw/zinc/64/79/24/357647924.db2.gz VRFMSXSHFWEOGM-OPRDCNLKSA-N 0 1 284.703 0.975 20 5 CCBDMN NC(=O)c1[nH]nnc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000362413615 283395710 /nfs/dbraw/zinc/39/57/10/283395710.db2.gz ZEJSUEXGVHWYEB-UHFFFAOYSA-N 0 1 276.212 0.064 20 5 CCBDMN CCN1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1C ZINC000611084808 363658046 /nfs/dbraw/zinc/65/80/46/363658046.db2.gz WEUQCMVOCNHMKL-MRVPVSSYSA-N 0 1 266.305 0.328 20 5 CCBDMN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592381658 359829057 /nfs/dbraw/zinc/82/90/57/359829057.db2.gz ONBGQTWDNCUDNB-ZETCQYMHSA-N 0 1 274.302 0.005 20 5 CCBDMN C[C@@H]1COCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000611185784 363674228 /nfs/dbraw/zinc/67/42/28/363674228.db2.gz IBDNTGKYIOAEFH-LLVKDONJSA-N 0 1 281.312 0.867 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000611219835 363685948 /nfs/dbraw/zinc/68/59/48/363685948.db2.gz VBCDXLAUKNPDOJ-JTQLQIEISA-N 0 1 293.327 0.542 20 5 CCBDMN C[C@H]1SCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592904525 359973929 /nfs/dbraw/zinc/97/39/29/359973929.db2.gz RQYMJUSXEXKMIP-RITPCOANSA-N 0 1 256.287 0.942 20 5 CCBDMN CN(C)CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593559159 360112959 /nfs/dbraw/zinc/11/29/59/360112959.db2.gz XEINKBMJGJBZHO-UHFFFAOYSA-N 0 1 288.329 0.172 20 5 CCBDMN C[C@@H](COCC1CC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000593859071 360178265 /nfs/dbraw/zinc/17/82/65/360178265.db2.gz NOYRGPWWCAONMW-ZETCQYMHSA-N 0 1 268.273 0.863 20 5 CCBDMN N[C@H](CO)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000594652120 360351779 /nfs/dbraw/zinc/35/17/79/360351779.db2.gz OKGIWADSQJDZII-SNVBAGLBSA-N 0 1 263.257 0.227 20 5 CCBDMN C[C@H](CCO)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594758431 360376911 /nfs/dbraw/zinc/37/69/11/360376911.db2.gz RDSDDMLPQWRHPQ-MRVPVSSYSA-N 0 1 289.313 0.287 20 5 CCBDMN CO[C@H](C)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594770932 360379307 /nfs/dbraw/zinc/37/93/07/360379307.db2.gz KNXKTCVNINDWNC-SSDOTTSWSA-N 0 1 275.286 0.303 20 5 CCBDMN O=C(NCc1c[nH]nn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611558132 363738075 /nfs/dbraw/zinc/73/80/75/363738075.db2.gz RGUOTTFIROMFTM-UHFFFAOYSA-N 0 1 263.213 0.349 20 5 CCBDMN O=C(NCc1cn[nH]n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611558132 363738081 /nfs/dbraw/zinc/73/80/81/363738081.db2.gz RGUOTTFIROMFTM-UHFFFAOYSA-N 0 1 263.213 0.349 20 5 CCBDMN CN(C)C[C@@H](CO)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000596244117 360850489 /nfs/dbraw/zinc/85/04/89/360850489.db2.gz PGXXWHDEJAEKSP-QMMMGPOBSA-N 0 1 279.300 0.227 20 5 CCBDMN O=c1[nH]ccc(NCCN2CCCOCC2)c1[N+](=O)[O-] ZINC000596203119 360833414 /nfs/dbraw/zinc/83/34/14/360833414.db2.gz LZNKQMIBPMAVKT-UHFFFAOYSA-N 0 1 282.300 0.830 20 5 CCBDMN Cc1nc(CC(=O)NCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000596826633 360961986 /nfs/dbraw/zinc/96/19/86/360961986.db2.gz UYZJCFBXPPYZHC-UHFFFAOYSA-N 0 1 275.268 0.880 20 5 CCBDMN CN(Cc1cnc[nH]1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000597863254 361272616 /nfs/dbraw/zinc/27/26/16/361272616.db2.gz MJGUQWHRSLRVEE-UHFFFAOYSA-N 0 1 263.257 0.929 20 5 CCBDMN O=C(NCCO[C@@H]1CC1(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000598140480 361343593 /nfs/dbraw/zinc/34/35/93/361343593.db2.gz YCTWUHYCQJOYBC-ZCFIWIBFSA-N 0 1 276.199 0.472 20 5 CCBDMN CCN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1C ZINC000611597930 363749477 /nfs/dbraw/zinc/74/94/77/363749477.db2.gz ZDFGZFHKFOKAME-JTQLQIEISA-N 0 1 293.327 0.970 20 5 CCBDMN O=C(N[C@H]1C[C@H](O)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598529116 361439435 /nfs/dbraw/zinc/43/94/35/361439435.db2.gz DYMCRWVKDAOCCY-FKQCQYRASA-N 0 1 276.252 0.724 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)C2CC2)n1 ZINC000599244264 361619134 /nfs/dbraw/zinc/61/91/34/361619134.db2.gz YQBXSHJMNMZXLL-UHFFFAOYSA-N 0 1 288.329 0.795 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(F)(F)C2)c1[N+](=O)[O-] ZINC000611907152 363805474 /nfs/dbraw/zinc/80/54/74/363805474.db2.gz OKYUHNNIGUOTTQ-UHFFFAOYSA-N 0 1 260.200 0.971 20 5 CCBDMN C[C@H](CN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000302159025 201372537 /nfs/dbraw/zinc/37/25/37/201372537.db2.gz OFPXUORPUDBSJZ-SNVBAGLBSA-N 0 1 280.332 0.433 20 5 CCBDMN O=C(NCC1=CC[NH2+]CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000564950743 291324325 /nfs/dbraw/zinc/32/43/25/291324325.db2.gz MTQPNMWMTIMJPQ-UHFFFAOYSA-N 0 1 278.268 0.345 20 5 CCBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](O)(C(N)=O)C1 ZINC000276490657 193353309 /nfs/dbraw/zinc/35/33/09/193353309.db2.gz VJLLEONHDDZGPF-ZANVPECISA-N 0 1 279.296 0.578 20 5 CCBDMN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCNCC1 ZINC000514673201 284620243 /nfs/dbraw/zinc/62/02/43/284620243.db2.gz DZOVQBUQBNTLPF-UHFFFAOYSA-N 0 1 279.252 0.369 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)[C@@H](CO)C1 ZINC000459712885 249056582 /nfs/dbraw/zinc/05/65/82/249056582.db2.gz RWSIBMGMOXEFRY-YPMHNXCESA-N 0 1 266.297 0.688 20 5 CCBDMN CC(C)[C@H](NCCn1ccc([N+](=O)[O-])n1)c1nncn1C ZINC000285392787 388791474 /nfs/dbraw/zinc/79/14/74/388791474.db2.gz OEFOHVRHUXCFHC-NSHDSACASA-N 0 1 293.331 0.907 20 5 CCBDMN CNS(=O)(=O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000190307955 388988833 /nfs/dbraw/zinc/98/88/33/388988833.db2.gz CFTOMMVHSUXWLT-UHFFFAOYSA-N 0 1 287.341 0.542 20 5 CCBDMN C[C@@H](O)C[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000192814567 389055434 /nfs/dbraw/zinc/05/54/34/389055434.db2.gz CDBUABOGVNNRCS-VXGBXAGGSA-N 0 1 297.359 0.178 20 5 CCBDMN C[C@H](CO)[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H](C)O ZINC000339115065 389125459 /nfs/dbraw/zinc/12/54/59/389125459.db2.gz YAQLGMVKLVOYIL-ZJUUUORDSA-N 0 1 284.312 0.864 20 5 CCBDMN C[C@H](CO)[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H](C)O ZINC000339115065 389125462 /nfs/dbraw/zinc/12/54/62/389125462.db2.gz YAQLGMVKLVOYIL-ZJUUUORDSA-N 0 1 284.312 0.864 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC(N)=O)CC(C)C)c1[N+](=O)[O-] ZINC000195411475 389125768 /nfs/dbraw/zinc/12/57/68/389125768.db2.gz MPGYUNITLAXURX-UHFFFAOYSA-N 0 1 297.315 0.464 20 5 CCBDMN C[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)CN1C ZINC000357446347 389134918 /nfs/dbraw/zinc/13/49/18/389134918.db2.gz BZWVJQBKDUUUGK-IUCAKERBSA-N 0 1 293.327 0.618 20 5 CCBDMN O=C(N[C@H]1CCc2c[nH]nc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000343897098 389275079 /nfs/dbraw/zinc/27/50/79/389275079.db2.gz NNWUOYAVEIBACX-ZETCQYMHSA-N 0 1 276.256 0.328 20 5 CCBDMN COc1cc(CN2CC[C@@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000348193006 389369324 /nfs/dbraw/zinc/36/93/24/389369324.db2.gz YWBLGGMYWKRXRT-ZDUSSCGKSA-N 0 1 295.295 0.026 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCN(C2CC2)CC1 ZINC000159778520 389373893 /nfs/dbraw/zinc/37/38/93/389373893.db2.gz YYSOITTUDFRFLA-UHFFFAOYSA-N 0 1 292.339 0.537 20 5 CCBDMN CNC(=O)[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000264703198 389348311 /nfs/dbraw/zinc/34/83/11/389348311.db2.gz JWLXGNUOYUVDOF-QMMMGPOBSA-N 0 1 295.299 0.225 20 5 CCBDMN O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000373729859 389509888 /nfs/dbraw/zinc/50/98/88/389509888.db2.gz TWUXGIVGGZNCTR-UHFFFAOYSA-N 0 1 292.295 0.616 20 5 CCBDMN O=C1C[C@H]2CC[C@@H](C1)N2CCn1cc([N+](=O)[O-])ccc1=O ZINC000276422150 389516864 /nfs/dbraw/zinc/51/68/64/389516864.db2.gz IOLWVEPEFIVLNF-PHIMTYICSA-N 0 1 291.307 0.952 20 5 CCBDMN O=C(N[C@@H]1CCOC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000179220403 389645563 /nfs/dbraw/zinc/64/55/63/389645563.db2.gz YLBKBOHAMVZKNF-SSDOTTSWSA-N 0 1 276.252 0.990 20 5 CCBDMN CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000282046245 389649904 /nfs/dbraw/zinc/64/99/04/389649904.db2.gz LVJBGRYLOOHHCJ-UHFFFAOYSA-N 0 1 294.311 0.731 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000352013945 389735245 /nfs/dbraw/zinc/73/52/45/389735245.db2.gz KZOLJDIEVPSORT-ZJUUUORDSA-N 0 1 295.343 0.651 20 5 CCBDMN C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436964970 389988282 /nfs/dbraw/zinc/98/82/82/389988282.db2.gz JJUCHCDLMQCKRE-ZDUSSCGKSA-N 0 1 295.295 0.097 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CS(=O)(=O)c1ncc[nH]1 ZINC000437136270 389991375 /nfs/dbraw/zinc/99/13/75/389991375.db2.gz KYMUBZKBTYMUBA-UHFFFAOYSA-N 0 1 271.258 0.025 20 5 CCBDMN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[N@@H+]1C ZINC000439946448 390028752 /nfs/dbraw/zinc/02/87/52/390028752.db2.gz BSZDRPDKVSUXII-DTWKUNHWSA-N 0 1 294.311 0.908 20 5 CCBDMN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[N@H+]1C ZINC000439946448 390028754 /nfs/dbraw/zinc/02/87/54/390028754.db2.gz BSZDRPDKVSUXII-DTWKUNHWSA-N 0 1 294.311 0.908 20 5 CCBDMN CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440403574 390036423 /nfs/dbraw/zinc/03/64/23/390036423.db2.gz CWTRRUSIPDUJDU-ZETCQYMHSA-N 0 1 293.370 0.918 20 5 CCBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](O)[C@H](CO)C1 ZINC000459701434 390076079 /nfs/dbraw/zinc/07/60/79/390076079.db2.gz ODQBZXHGOHNZGN-NRUUGDAUSA-N 0 1 266.297 0.941 20 5 CCBDMN C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1nc[nH]n1 ZINC000537561346 390178335 /nfs/dbraw/zinc/17/83/35/390178335.db2.gz LPIQGHVCTLGLEZ-ZCFIWIBFSA-N 0 1 298.284 0.147 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2C[C@@H]3C[C@H]2CS3)c1 ZINC000579683043 390196817 /nfs/dbraw/zinc/19/68/17/390196817.db2.gz VZRYHCPCTZVJTG-WPRPVWTQSA-N 0 1 254.315 0.981 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)N[C@@H](C)C2)n1 ZINC000582235949 390271237 /nfs/dbraw/zinc/27/12/37/390271237.db2.gz GKTCSPIYVAASHX-IUCAKERBSA-N 0 1 281.316 0.634 20 5 CCBDMN CN(C)CCn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000519649380 390524118 /nfs/dbraw/zinc/52/41/18/390524118.db2.gz YAGJQCNVJALRMB-UHFFFAOYSA-N 0 1 278.268 0.973 20 5 CCBDMN CC1(C)[C@H](O)C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000190705821 130137325 /nfs/dbraw/zinc/13/73/25/130137325.db2.gz FAKOEYJSBUPYAS-RNFRBKRXSA-N 0 1 254.246 0.207 20 5 CCBDMN C[C@H](CNc1c([N+](=O)[O-])ncn1C)N1CCN(C)CC1 ZINC000263924251 131362051 /nfs/dbraw/zinc/36/20/51/131362051.db2.gz QLSWFKVGIKOLOX-SNVBAGLBSA-N 0 1 282.348 0.376 20 5 CCBDMN Cc1nc(N2CCN(CCCO)CC2)ccc1[N+](=O)[O-] ZINC000268487692 132016372 /nfs/dbraw/zinc/01/63/72/132016372.db2.gz NAFDUFNFYASRND-UHFFFAOYSA-N 0 1 280.328 0.803 20 5 CCBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nncn1C ZINC000269258928 132145286 /nfs/dbraw/zinc/14/52/86/132145286.db2.gz AQCPVNVBLZTHMK-SSDOTTSWSA-N 0 1 291.267 0.920 20 5 CCBDMN Nc1ccnc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000356759747 144030302 /nfs/dbraw/zinc/03/03/02/144030302.db2.gz DGVFOWSOYMSDLI-UHFFFAOYSA-N 0 1 289.251 0.433 20 5 CCBDMN NC(=O)C1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000357363224 144085130 /nfs/dbraw/zinc/08/51/30/144085130.db2.gz LCPOUBFFDFMCCP-UHFFFAOYSA-N 0 1 265.225 0.048 20 5 CCBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000371942172 144347932 /nfs/dbraw/zinc/34/79/32/144347932.db2.gz CJZNULZGZQCJSB-KKOKHZNYSA-N 0 1 278.312 0.958 20 5 CCBDMN CC(C)[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCN1C ZINC000549762002 286097922 /nfs/dbraw/zinc/09/79/22/286097922.db2.gz NSGIBBTTZMVTOE-JTQLQIEISA-N 0 1 281.316 0.730 20 5 CCBDMN CS(=O)(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC000020203642 171068216 /nfs/dbraw/zinc/06/82/16/171068216.db2.gz MWXMECJAMGYGQM-UHFFFAOYSA-N 0 1 273.314 0.234 20 5 CCBDMN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1COC[C@H]1O ZINC000285480078 196298334 /nfs/dbraw/zinc/29/83/34/196298334.db2.gz HZHAUROVPIPONO-FRRDWIJNSA-N 0 1 282.296 0.320 20 5 CCBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CNCCO1 ZINC000043708875 175102479 /nfs/dbraw/zinc/10/24/79/175102479.db2.gz RBJMVDRBYLBFHM-NSHDSACASA-N 0 1 265.269 0.830 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000269451385 278000693 /nfs/dbraw/zinc/00/06/93/278000693.db2.gz GJWGTJVSVWLIKV-SSDOTTSWSA-N 0 1 268.273 0.648 20 5 CCBDMN C[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000261997253 279907193 /nfs/dbraw/zinc/90/71/93/279907193.db2.gz OCPAZRNTHUHSCU-QMMMGPOBSA-N 0 1 264.285 0.611 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)O3)c1[N+](=O)[O-] ZINC000583012131 329302350 /nfs/dbraw/zinc/30/23/50/329302350.db2.gz QIWOFCFMOUXPIU-OCAPTIKFSA-N 0 1 296.283 0.120 20 5 CCBDMN Cc1n[nH]cc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000553462373 334386517 /nfs/dbraw/zinc/38/65/17/334386517.db2.gz ODKGPMNEYORUCR-UHFFFAOYSA-N 0 1 297.296 0.500 20 5 CCBDMN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCC[NH2+]C1 ZINC000576398398 335198806 /nfs/dbraw/zinc/19/88/06/335198806.db2.gz GOACRTJZHGKUDL-CYBMUJFWSA-N 0 1 294.311 0.815 20 5 CCBDMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576950195 335268399 /nfs/dbraw/zinc/26/83/99/335268399.db2.gz WSDLLKCTJIXSIC-GXSJLCMTSA-N 0 1 298.295 0.739 20 5 CCBDMN C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000577176023 335316236 /nfs/dbraw/zinc/31/62/36/335316236.db2.gz ACJDDNMEKGYKMP-DTWKUNHWSA-N 0 1 294.311 0.895 20 5 CCBDMN CCO[C@@H]1COCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000354339004 520327728 /nfs/dbraw/zinc/32/77/28/520327728.db2.gz JRWWRRPJEFMXLH-IONNQARKSA-N 0 1 284.272 0.242 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000356757526 524526134 /nfs/dbraw/zinc/52/61/34/524526134.db2.gz AOKYLNWHPQGDHZ-WRWORJQWSA-N 0 1 266.253 0.753 20 5 CCBDMN CCCN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000264048863 534919478 /nfs/dbraw/zinc/91/94/78/534919478.db2.gz APBRRLASGVNJRP-UHFFFAOYSA-N 0 1 295.343 0.736 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC000373255541 536002758 /nfs/dbraw/zinc/00/27/58/536002758.db2.gz LNKOZMTUQJKFKH-CYBMUJFWSA-N 0 1 294.311 0.867 20 5 CCBDMN CN1CC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000507309431 536458976 /nfs/dbraw/zinc/45/89/76/536458976.db2.gz BULIXGKHCLKORL-LLVKDONJSA-N 0 1 299.352 0.718 20 5 CCBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH]nn2)c1 ZINC000789927508 581164371 /nfs/dbraw/zinc/16/43/71/581164371.db2.gz DSLZSGLMHMFCMV-UHFFFAOYSA-N 0 1 263.213 0.974 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2C[C@]2(CO)C1 ZINC000783799245 581363661 /nfs/dbraw/zinc/36/36/61/581363661.db2.gz ZDJPSVHAXVNCFE-TVQRCGJNSA-N 0 1 278.264 0.755 20 5 CCBDMN CN(CCc1ccccc1[N+](=O)[O-])[C@@H]1CCC(=O)NC1=O ZINC000796112431 581431496 /nfs/dbraw/zinc/43/14/96/581431496.db2.gz KJQNIFILNNVJIN-GFCCVEGCSA-N 0 1 291.307 0.874 20 5 CCBDMN C[C@H](C(=O)NOCCO)c1ccc([N+](=O)[O-])cc1F ZINC000787296591 581466153 /nfs/dbraw/zinc/46/61/53/581466153.db2.gz NFGFZLROUWXZSE-ZETCQYMHSA-N 0 1 272.232 0.878 20 5 CCBDMN C[S@@](=O)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000735050735 581612472 /nfs/dbraw/zinc/61/24/72/581612472.db2.gz BIBLYWLKMBTIHR-HXUWFJFHSA-N 0 1 296.308 0.579 20 5 CCBDMN O=C(COC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCCC1 ZINC000730074563 581647459 /nfs/dbraw/zinc/64/74/59/581647459.db2.gz ZXHOVDNMNBLVCL-UHFFFAOYSA-N 0 1 267.241 0.702 20 5 CCBDMN COC(=O)N1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000764095127 582031276 /nfs/dbraw/zinc/03/12/76/582031276.db2.gz RVLBICNXCHMPLC-ZETCQYMHSA-N 0 1 297.271 0.279 20 5 CCBDMN CC1(O)CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000764514946 582054916 /nfs/dbraw/zinc/05/49/16/582054916.db2.gz YVGWQLJBXRMYOI-UHFFFAOYSA-N 0 1 268.273 0.741 20 5 CCBDMN O=C([O-])NCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000834238967 605763939 /nfs/dbraw/zinc/76/39/39/605763939.db2.gz BXQYDWQOCQYSNN-VIFPVBQESA-N 0 1 295.299 0.744 20 5 CCBDMN CC(C)C[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839684979 614202880 /nfs/dbraw/zinc/20/28/80/614202880.db2.gz SFQQMZRCNRAHGZ-GMTAPVOTSA-N 0 1 256.302 0.925 20 5 CCBDMN COc1ccc2c(c1)OC[C@H](NCC[N+](=O)[O-])C2 ZINC000905187560 617286802 /nfs/dbraw/zinc/28/68/02/617286802.db2.gz CXOYXGWTSATFTA-SNVBAGLBSA-N 0 1 252.270 0.865 20 5 CCBDMN CC(C)(C)OC(=O)N1CCOC[C@H]1CNCC[N+](=O)[O-] ZINC000905387906 613976732 /nfs/dbraw/zinc/97/67/32/613976732.db2.gz ZMDLQDALTJIXLT-SNVBAGLBSA-N 0 1 289.332 0.489 20 5 CCBDMN CC(C)(C)n1nnc(COC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000848005702 614074031 /nfs/dbraw/zinc/07/40/31/614074031.db2.gz PRLHDFVJBGGAIQ-RNFRBKRXSA-N 0 1 269.261 0.137 20 5 CCBDMN CC(C)(CCc1noc(C[C@@H]2COCCN2)n1)[N+](=O)[O-] ZINC000823234600 614086763 /nfs/dbraw/zinc/08/67/63/614086763.db2.gz JXPYDNBZCGVRTF-SECBINFHSA-N 0 1 284.316 0.588 20 5 CCBDMN CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839512899 614325984 /nfs/dbraw/zinc/32/59/84/614325984.db2.gz KJGHXRPSCQCAGM-NXEZZACHSA-N 0 1 283.328 0.369 20 5 CCBDMN CC(F)(F)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973793671 614396362 /nfs/dbraw/zinc/39/63/62/614396362.db2.gz OLHRVDPBYDSJQG-ULAWRXDQSA-N 0 1 291.254 0.070 20 5 CCBDMN CCC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956369550 614510180 /nfs/dbraw/zinc/51/01/80/614510180.db2.gz XJIWVFJGPWEMTK-NXEZZACHSA-N 0 1 283.328 0.559 20 5 CCBDMN CCC(CC)C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839512787 614536364 /nfs/dbraw/zinc/53/63/64/614536364.db2.gz JMNIXVIIPRXHNF-VXGBXAGGSA-N 0 1 297.355 0.759 20 5 CCBDMN CCOC(=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000855517765 615213408 /nfs/dbraw/zinc/21/34/08/615213408.db2.gz XNPKCFGJEZQESM-QYNIQEEDSA-N 0 1 298.217 0.652 20 5 CCBDMN CCN1CC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000882485523 615311982 /nfs/dbraw/zinc/31/19/82/615311982.db2.gz UNZCXZXGBRQTDL-JTQLQIEISA-N 0 1 281.316 0.392 20 5 CCBDMN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839475809 615370510 /nfs/dbraw/zinc/37/05/10/615370510.db2.gz AWGDBSHQGRYZTF-IVZWLZJFSA-N 0 1 270.285 0.453 20 5 CCBDMN CCO[C@@H]1C[C@@](O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839733979 615442183 /nfs/dbraw/zinc/44/21/83/615442183.db2.gz MUBYIQHFFFENFF-VWMGYNLJSA-N 0 1 286.328 0.334 20 5 CCBDMN CC[C@@](C)(CC(=O)OC)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000119019429 615588556 /nfs/dbraw/zinc/58/85/56/615588556.db2.gz OYYCJFMVDNUGNQ-NSHDSACASA-N 0 1 284.272 0.780 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)C2CC2)CC1 ZINC000953926673 615867499 /nfs/dbraw/zinc/86/74/99/615867499.db2.gz AWSOLTQHVBSUAJ-VXGBXAGGSA-N 0 1 295.339 0.511 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852188353 616109282 /nfs/dbraw/zinc/10/92/82/616109282.db2.gz IKJRTXRVYQSQBI-SNVBAGLBSA-N 0 1 294.267 0.849 20 5 CCBDMN C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828346254 616127616 /nfs/dbraw/zinc/12/76/16/616127616.db2.gz VYMIIHJHXPRUEL-VIFPVBQESA-N 0 1 283.288 0.475 20 5 CCBDMN CN(C[C@@H](O)C(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839718340 616130695 /nfs/dbraw/zinc/13/06/95/616130695.db2.gz ITMILEBBVVBIHE-HSUXUTPPSA-N 0 1 256.180 0.033 20 5 CCBDMN COC(=O)[C@@H]1CCN(CC[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000931263702 616306349 /nfs/dbraw/zinc/30/63/49/616306349.db2.gz UXENEYCTTPQLAE-MXWKQRLJSA-N 0 1 256.302 0.927 20 5 CCBDMN COC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCOCC1 ZINC000855291796 616709651 /nfs/dbraw/zinc/70/96/51/616709651.db2.gz PTEFOAKAKCNGJL-OUAUKWLOSA-N 0 1 272.301 0.209 20 5 CCBDMN CO[C@](C)([C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839832301 616902418 /nfs/dbraw/zinc/90/24/18/616902418.db2.gz XZDHCKWCGMWZDF-UGKPPGOTSA-N 0 1 256.302 0.971 20 5 CCBDMN COC(=O)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(C)C ZINC000839693539 616965394 /nfs/dbraw/zinc/96/53/94/616965394.db2.gz ZWTHDDAAVPPRBJ-OPRDCNLKSA-N 0 1 272.301 0.603 20 5 CCBDMN COC(=O)[C@@H](CNCC[N+](=O)[O-])Cc1ccccc1 ZINC000905530619 616966113 /nfs/dbraw/zinc/96/61/13/616966113.db2.gz STXRXBPWANQFHX-GFCCVEGCSA-N 0 1 266.297 0.885 20 5 CCBDMN COCC[N@H+](CC(=O)[O-])C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846264687 616983884 /nfs/dbraw/zinc/98/38/84/616983884.db2.gz OZAHFGCSZBESGH-LBPRGKRZSA-N 0 1 298.295 0.661 20 5 CCBDMN COC(=O)c1coc(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840670261 617009355 /nfs/dbraw/zinc/00/93/55/617009355.db2.gz DUGLDQCHUSHSOR-HTQZYQBOSA-N 0 1 297.219 0.457 20 5 CCBDMN COCCN(CCF)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000852483868 617012138 /nfs/dbraw/zinc/01/21/38/617012138.db2.gz SWMHHOWWAGSWLC-LLVKDONJSA-N 0 1 290.295 0.070 20 5 CCBDMN CO[C@@H]1CC(OC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](OC)C1 ZINC000842334343 617171359 /nfs/dbraw/zinc/17/13/59/617171359.db2.gz WBMXIXXZDWZION-OINDSLJFSA-N 0 1 273.285 0.777 20 5 CCBDMN O=C(C1CCCC1)N1CC[C@H](NCC[N+](=O)[O-])C1 ZINC000905168285 634816549 /nfs/dbraw/zinc/81/65/49/634816549.db2.gz YCGOERCMWMRWGR-NSHDSACASA-N 0 1 255.318 0.644 20 5 CCBDMN C[C@H]1CCCC[C@H]1NC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672367 631686642 /nfs/dbraw/zinc/68/66/42/631686642.db2.gz KBOTUHUUYBHYJT-LNFKQOIKSA-N 0 1 284.312 0.890 20 5 CCBDMN O=C(C1=CCCC1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010988779 650281555 /nfs/dbraw/zinc/28/15/55/650281555.db2.gz DHDXUDVMQGRGAD-VXGBXAGGSA-N 0 1 293.323 0.433 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC12CCN(CC1)C2 ZINC000913628341 637388562 /nfs/dbraw/zinc/38/85/62/637388562.db2.gz DFFBLCMXRFLNQP-UHFFFAOYSA-N 0 1 293.327 0.454 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NC12CCN(CC1)C2 ZINC000913628898 637389833 /nfs/dbraw/zinc/38/98/33/637389833.db2.gz RXRGMNXENKMQAX-UHFFFAOYSA-N 0 1 279.300 0.064 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCc1nc[nH]n1 ZINC000755910186 640339369 /nfs/dbraw/zinc/33/93/69/640339369.db2.gz YSVTZQZYIYCTDW-UHFFFAOYSA-N 0 1 294.271 0.394 20 5 CCBDMN O=C(NC[C@H](O)COc1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839574753 640344251 /nfs/dbraw/zinc/34/42/51/640344251.db2.gz NSLGCHPLZAGXQH-MVWJERBFSA-N 0 1 298.270 0.347 20 5 CCBDMN O=C(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCCCCC1 ZINC000839614420 640346525 /nfs/dbraw/zinc/34/65/25/640346525.db2.gz ZDFRPGVSZBCFOX-GHMZBOCLSA-N 0 1 283.328 0.561 20 5 CCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000839694031 640351092 /nfs/dbraw/zinc/35/10/92/640351092.db2.gz KTMMZZUEKYPJPV-LXGUWJNJSA-N 0 1 282.218 0.830 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000839694034 640352189 /nfs/dbraw/zinc/35/21/89/640352189.db2.gz KTMMZZUEKYPJPV-XUTVFYLZSA-N 0 1 282.218 0.830 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(=O)N(Cc2ccccc2)C1 ZINC000839716578 640356127 /nfs/dbraw/zinc/35/61/27/640356127.db2.gz ARMHZGHYOUUCGX-VXGBXAGGSA-N 0 1 289.291 0.480 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000839710680 640357256 /nfs/dbraw/zinc/35/72/56/640357256.db2.gz OLGPODXBKBZCIN-GWOFURMSSA-N 0 1 254.286 0.537 20 5 CCBDMN Cc1ccc(CN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839722098 640358564 /nfs/dbraw/zinc/35/85/64/640358564.db2.gz BXMFNQDPNKKXET-CHWSQXEVSA-N 0 1 278.308 0.981 20 5 CCBDMN O=C(NCCOC(F)(F)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000834442814 642567842 /nfs/dbraw/zinc/56/78/42/642567842.db2.gz UWZMZINYDODUMF-RFZPGFLSSA-N 0 1 292.160 0.940 20 5 CCBDMN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672622 642784748 /nfs/dbraw/zinc/78/47/48/642784748.db2.gz NDTSALIJGLAHIT-UKKRHICBSA-N 0 1 284.312 0.984 20 5 CCBDMN C[C@@H](Oc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1)C(N)=O ZINC000841128241 642804415 /nfs/dbraw/zinc/80/44/15/642804415.db2.gz RXNVKBLJOLGAJF-AVPPRXQKSA-N 0 1 294.263 0.510 20 5 CCBDMN Cn1ccnc1CCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842341384 642892768 /nfs/dbraw/zinc/89/27/68/642892768.db2.gz ZDGQTSWLFNKUAQ-RKDXNWHRSA-N 0 1 253.258 0.561 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1Cc2ccccc2NC(=O)C1 ZINC000848316137 643622226 /nfs/dbraw/zinc/62/22/26/643622226.db2.gz NZSRQEHJJFHUSF-MWLCHTKSSA-N 0 1 275.264 0.633 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CCC=CO1 ZINC000849387447 643736477 /nfs/dbraw/zinc/73/64/77/643736477.db2.gz MAIZFTWTSVHTKW-VIFPVBQESA-N 0 1 299.308 0.961 20 5 CCBDMN O=C(OCCO[C@H]1CC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000849806133 643757593 /nfs/dbraw/zinc/75/75/93/643757593.db2.gz DITXQPYZIGJKIC-QYNIQEEDSA-N 0 1 251.185 0.619 20 5 CCBDMN O=C(OCC1(O)CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000851586814 643856323 /nfs/dbraw/zinc/85/63/23/643856323.db2.gz CEJNJQRSCLMEKC-UHFFFAOYSA-N 0 1 270.241 0.621 20 5 CCBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1nnc[nH]1 ZINC000853217127 644091532 /nfs/dbraw/zinc/09/15/32/644091532.db2.gz WLCUTOCBRWQKIF-ZCFIWIBFSA-N 0 1 265.229 0.969 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000856488458 644422758 /nfs/dbraw/zinc/42/27/58/644422758.db2.gz YCVCITKZVWJROT-NKIIXMILSA-N 0 1 278.255 0.923 20 5 CCBDMN O=C(NCc1cccc2c1OCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000857816033 644563735 /nfs/dbraw/zinc/56/37/35/644563735.db2.gz NKTRDEFZFJZCFH-GHMZBOCLSA-N 0 1 262.265 0.903 20 5 CCBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C1 ZINC000122203264 645789874 /nfs/dbraw/zinc/78/98/74/645789874.db2.gz LYQHSYVXAVCFDP-SSDOTTSWSA-N 0 1 289.288 0.374 20 5 CCBDMN Cn1nnnc1CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000878303587 646890270 /nfs/dbraw/zinc/89/02/70/646890270.db2.gz WNQZQMWOOGCPQG-UHFFFAOYSA-N 0 1 288.311 0.719 20 5 CCBDMN O=C(NCCCn1nccc1[N+](=O)[O-])C(F)(F)F ZINC000128062653 647117603 /nfs/dbraw/zinc/11/76/03/647117603.db2.gz SRQVFSZPOZMYJH-UHFFFAOYSA-N 0 1 266.179 0.860 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC1CCCC1 ZINC000129505180 647380772 /nfs/dbraw/zinc/38/07/72/647380772.db2.gz PFKVUGHXTCOSTD-ZETCQYMHSA-N 0 1 296.283 0.922 20 5 CCBDMN O=C(NCc1cnn(CC2CCC2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000887356275 648097259 /nfs/dbraw/zinc/09/72/59/648097259.db2.gz XJSZVQFABJGGTM-VXGBXAGGSA-N 0 1 278.312 0.965 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000887853810 648162788 /nfs/dbraw/zinc/16/27/88/648162788.db2.gz QMUYABKVDVJMSW-WRWGMCAJSA-N 0 1 284.312 0.448 20 5 CCBDMN O=[N+]([O-])CCN(CCN1CCOCC1)CC1CC1 ZINC000931057419 648940962 /nfs/dbraw/zinc/94/09/62/648940962.db2.gz XOXGBNNOICHCKK-UHFFFAOYSA-N 0 1 257.334 0.307 20 5 CCBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC001124067873 799550043 /nfs/dbraw/zinc/55/00/43/799550043.db2.gz OIAOTGFXITVFRX-UHFFFAOYSA-N 0 1 295.324 0.899 20 5 CCBDMN O=C(NCc1nnc(C2CC2)n1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001153663109 800650850 /nfs/dbraw/zinc/65/08/50/800650850.db2.gz FHGCWUQZBMZRJV-NXEZZACHSA-N 0 1 291.311 0.772 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2nc(Cl)ncc2[N+](=O)[O-])S1 ZINC001155837503 801062291 /nfs/dbraw/zinc/06/22/91/801062291.db2.gz OABYWNBSSSAKAQ-RXMQYKEDSA-N 0 1 289.660 0.759 20 5 CCBDMN COC(=O)c1cnc(-n2c(C)cnc2CN)c([N+](=O)[O-])c1 ZINC001158163658 801580674 /nfs/dbraw/zinc/58/06/74/801580674.db2.gz YVVJKPPPLJVXJT-UHFFFAOYSA-N 0 1 291.267 0.729 20 5 CCBDMN CN(C1CN(c2ncc([N+](=O)[O-])cc2N)C1)[C@H]1CCOC1 ZINC001158737063 801697029 /nfs/dbraw/zinc/69/70/29/801697029.db2.gz RGLXYIBWFFCDOX-VIFPVBQESA-N 0 1 293.327 0.481 20 5 CCBDMN Cc1nc(N2CC(N(C)[C@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001158734895 801697229 /nfs/dbraw/zinc/69/72/29/801697229.db2.gz YJQNAFHWGMSRKW-JTQLQIEISA-N 0 1 293.327 0.603 20 5 CCBDMN O=[N+]([O-])c1cc[n+]([O-])cc1N[C@H]1CN2CCC1CC2 ZINC001163392892 802549574 /nfs/dbraw/zinc/54/95/74/802549574.db2.gz HLWWOUFRMALKSJ-JTQLQIEISA-N 0 1 264.285 0.734 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2cnc([N+](=O)[O-])cn2)S1 ZINC001163671410 802588196 /nfs/dbraw/zinc/58/81/96/802588196.db2.gz DVSDPRDFFADTGI-ZCFIWIBFSA-N 0 1 255.215 0.106 20 5 CCBDMN COC(=O)[C@H]1CNCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC001165436940 802840984 /nfs/dbraw/zinc/84/09/84/802840984.db2.gz MWOIZVCYITVCST-SNVBAGLBSA-N 0 1 280.284 0.249 20 5 CCBDMN O=[N+]([O-])c1ccc2oc(CNC[C@@]3(O)CCOC3)nc2c1 ZINC001205501882 803144136 /nfs/dbraw/zinc/14/41/36/803144136.db2.gz VLVUOHUKWDVLME-ZDUSSCGKSA-N 0 1 293.279 0.977 20 5 CCBDMN C[C@@H](C[N+](C)(C)C)Oc1[n-]c(=O)nc2c(=O)[nH]c(=O)[nH]c21 ZINC001226885409 805291818 /nfs/dbraw/zinc/29/18/18/805291818.db2.gz GJUCIBVNJVQIRZ-LURJTMIESA-O 0 1 296.307 0.010 20 5 CCBDMN C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc(=S)[n-]1 ZINC001226938816 805298805 /nfs/dbraw/zinc/29/88/05/805298805.db2.gz CNCBSUKHSUFZHD-MRVPVSSYSA-O 0 1 272.350 0.128 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(OC2CN(C)C2)cc1O ZINC001228811390 805481122 /nfs/dbraw/zinc/48/11/22/805481122.db2.gz PZHYEWXSMGCUDU-UHFFFAOYSA-N 0 1 282.252 0.780 20 5 CCBDMN Cc1nc(OC2CC3(COC3)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229381496 805526940 /nfs/dbraw/zinc/52/69/40/805526940.db2.gz NKMKNTNBMMEYFE-UHFFFAOYSA-N 0 1 267.241 0.957 20 5 CCBDMN CC(C)(C)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001251269532 807677942 /nfs/dbraw/zinc/67/79/42/807677942.db2.gz KDCKVWWOOVPHDQ-UHFFFAOYSA-N 0 1 295.343 0.734 20 5 CCBDMN Cc1cnc(-n2c(C)ncc(CN)c2=N)cc1[N+](=O)[O-] ZINC001167673493 811162246 /nfs/dbraw/zinc/16/22/46/811162246.db2.gz ABHNKBSJGGXPNJ-UHFFFAOYSA-N 0 1 274.284 0.731 20 5 CCBDMN O=C(NC1CN(Cc2cccnc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030291821 815961240 /nfs/dbraw/zinc/96/12/40/815961240.db2.gz LJDXHMAUNBYGDP-VXGBXAGGSA-N 0 1 276.296 0.047 20 5 CCBDMN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000701856093 819025523 /nfs/dbraw/zinc/02/55/23/819025523.db2.gz NDWNGFZWGNGPSX-SSDOTTSWSA-N 0 1 291.304 0.620 20 5 CCBDMN Cn1nccc1[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC001129067190 819397325 /nfs/dbraw/zinc/39/73/25/819397325.db2.gz AZNXGOZLJMHRAX-LUTQBAROSA-N 0 1 294.311 0.422 20 5 CCBDMN O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC[P@@](=O)([O-])O)C1 ZINC001168969064 836090549 /nfs/dbraw/zinc/09/05/49/836090549.db2.gz BVEQVJVVMXJPSE-JGVFFNPUSA-N 0 1 252.207 0.199 20 5 CCBDMN COC(=O)[C@H](CCC(=O)[O-])[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168971359 836090830 /nfs/dbraw/zinc/09/08/30/836090830.db2.gz JRBIEOFTTYIJPI-AEJSXWLSSA-N 0 1 288.300 0.428 20 5 CCBDMN O=C1OC[C@H]2CN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCN12 ZINC001169033240 836108652 /nfs/dbraw/zinc/10/86/52/836108652.db2.gz BMQANXCZVCMXQN-OUAUKWLOSA-N 0 1 269.301 0.568 20 5 CCBDMN CS(=O)(=O)[C@@H]1CCCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169039950 836111860 /nfs/dbraw/zinc/11/18/60/836111860.db2.gz WGOGAAHCMLNIIS-GRYCIOLGSA-N 0 1 290.385 0.941 20 5 CCBDMN CC1(C)C(=O)NCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169022473 836115304 /nfs/dbraw/zinc/11/53/04/836115304.db2.gz BYOPBFDQJUOVDY-VHSXEESVSA-N 0 1 255.318 0.642 20 5 CCBDMN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncc([N+](=O)[O-])cn1 ZINC001170336957 837305351 /nfs/dbraw/zinc/30/53/51/837305351.db2.gz HXAJXSRZBRYLAJ-UHFFFAOYSA-N 0 1 264.245 0.086 20 5 CCBDMN COc1nc(NCC2CN(C)C2)nc(OC)c1[N+](=O)[O-] ZINC001159218083 839029595 /nfs/dbraw/zinc/02/95/95/839029595.db2.gz LONCSYDRZDSEDZ-UHFFFAOYSA-N 0 1 283.288 0.376 20 5 CCBDMN CC[C@@](N)(CO)Nc1cc([N+](=O)[O-])cnc1OC ZINC001170866349 839465994 /nfs/dbraw/zinc/46/59/94/839465994.db2.gz WDJKBQZRKIBJSK-JTQLQIEISA-N 0 1 256.262 0.468 20 5 CCBDMN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccn(C)n1 ZINC001171018526 839738762 /nfs/dbraw/zinc/73/87/62/839738762.db2.gz QMFNREHTQKZHSV-VIFPVBQESA-N 0 1 264.289 0.876 20 5 CCBDMN NCc1nccnc1Nc1cc([N+](=O)[O-])c2nncn2c1 ZINC001171450181 841696739 /nfs/dbraw/zinc/69/67/39/841696739.db2.gz WQIBTUYAXMZNOG-UHFFFAOYSA-N 0 1 286.255 0.630 20 5 CCBDMN CC(C)[C@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)N(C)C ZINC001177806600 842684460 /nfs/dbraw/zinc/68/44/60/842684460.db2.gz YMJVYIADOVTLCO-SECBINFHSA-N 0 1 255.278 0.843 20 5 CCBDMN CCC[C@@H](O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001179588935 843021430 /nfs/dbraw/zinc/02/14/30/843021430.db2.gz RPFAIPOMNPYCKG-SSDOTTSWSA-N 0 1 256.262 0.599 20 5 CCBDMN C[C@@H](NCC(=O)NC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC001197648122 846942371 /nfs/dbraw/zinc/94/23/71/846942371.db2.gz YXXULPCZNZIWDR-SSDOTTSWSA-N 0 1 266.257 0.440 20 5 CCBDMN CCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001066642833 848153817 /nfs/dbraw/zinc/15/38/17/848153817.db2.gz ADXLYGVGUDAOHI-GHMZBOCLSA-N 0 1 285.344 0.759 20 5 CCBDMN Cc1cc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC001042705208 850739894 /nfs/dbraw/zinc/73/98/94/850739894.db2.gz MGYDDTWFHLJNMF-VXGBXAGGSA-N 0 1 294.311 0.291 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cccnc2)C1 ZINC001042705482 850740802 /nfs/dbraw/zinc/74/08/02/850740802.db2.gz TWEIZWSXYMAPPR-CHWSQXEVSA-N 0 1 290.323 0.389 20 5 CCBDMN COc1ncnc(N[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC000094738847 897919171 /nfs/dbraw/zinc/91/91/71/897919171.db2.gz HYBJPXSJRSTATC-VIFPVBQESA-N 0 1 279.300 0.900 20 5 CCBDMN CN(C(=O)CNc1ccccc1[N+](=O)[O-])c1nn[nH]n1 ZINC001470570527 903239047 /nfs/dbraw/zinc/23/90/47/903239047.db2.gz FDCMJUAAGWUJHM-UHFFFAOYSA-N 0 1 277.244 0.183 20 5 CCBDMN Cc1cnc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])nc1 ZINC001142825156 903754578 /nfs/dbraw/zinc/75/45/78/903754578.db2.gz RRLUALJZTNJWOD-UHFFFAOYSA-N 0 1 262.229 0.346 20 5 CCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccco1 ZINC001285924027 905815222 /nfs/dbraw/zinc/81/52/22/905815222.db2.gz RKRJMDOGSKUUFX-RKDXNWHRSA-N 0 1 293.279 0.323 20 5 CCBDMN CC(C)(C)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001290074771 906109705 /nfs/dbraw/zinc/10/97/05/906109705.db2.gz WDBPRPSLTMGIHA-LMLFDSFASA-N 0 1 297.355 0.709 20 5 CCBDMN CCOC(=O)[C@@H](F)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001298528500 907258760 /nfs/dbraw/zinc/25/87/60/907258760.db2.gz NVKOJZSGSIAUNN-HLTSFMKQSA-N 0 1 274.248 0.011 20 5 CCBDMN CCN1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001303019474 908056969 /nfs/dbraw/zinc/05/69/69/908056969.db2.gz UBPYBMLHWFSVHI-SSDOTTSWSA-N 0 1 253.262 0.142 20 5 CCBDMN CCN1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001303019475 908058130 /nfs/dbraw/zinc/05/81/30/908058130.db2.gz UBPYBMLHWFSVHI-ZETCQYMHSA-N 0 1 253.262 0.142 20 5 CCBDMN COC(=O)c1cnc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001303702189 908111972 /nfs/dbraw/zinc/11/19/72/908111972.db2.gz IRWRDBAVPNRCSI-PHDIDXHHSA-N 0 1 285.281 0.211 20 5 CCBDMN COC[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC001304005547 908132410 /nfs/dbraw/zinc/13/24/10/908132410.db2.gz LJUSQGYXIAZAIZ-QMMMGPOBSA-N 0 1 270.289 0.966 20 5 CCBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C1=NN(C)CC1=O ZINC001304542758 908170816 /nfs/dbraw/zinc/17/08/16/908170816.db2.gz BAIABRFFFGKJAS-SSDOTTSWSA-N 0 1 291.267 0.920 20 5 CCBDMN C[N@H+]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H](C(=O)[O-])C1 ZINC001329578924 916030639 /nfs/dbraw/zinc/03/06/39/916030639.db2.gz IVDUWGDTRDPUFY-SECBINFHSA-N 0 1 280.284 0.442 20 5 CCBDMN Cc1cccnc1NC(=O)CCNCC[N+](=O)[O-] ZINC001335464670 920214508 /nfs/dbraw/zinc/21/45/08/920214508.db2.gz IHAOAQGQUKYOIW-UHFFFAOYSA-N 0 1 252.274 0.585 20 5 CCBDMN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCNC[C@H]1CO ZINC001340845553 922238125 /nfs/dbraw/zinc/23/81/25/922238125.db2.gz HQCRPZLWZQRNJV-NSHDSACASA-N 0 1 299.714 0.655 20 5 CCBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCNC[C@H]1CO ZINC001342439617 922959506 /nfs/dbraw/zinc/95/95/06/922959506.db2.gz LZOKTVNYMAYESJ-NSHDSACASA-N 0 1 293.323 0.618 20 5 CCBDMN O=C(CCc1ccoc1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001348743601 924792446 /nfs/dbraw/zinc/79/24/46/924792446.db2.gz DUGLMRANLLIXET-GHMZBOCLSA-N 0 1 295.295 0.110 20 5 CCBDMN CCCCC(=O)N(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001351467027 925422350 /nfs/dbraw/zinc/42/23/50/925422350.db2.gz SAQVZNSTJOITBF-GHMZBOCLSA-N 0 1 285.344 0.807 20 5 CCBDMN CN(CCNC(=O)C1(C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355658002 926296930 /nfs/dbraw/zinc/29/69/30/926296930.db2.gz NULJRZWLXUWKJK-RKDXNWHRSA-N 0 1 269.301 0.026 20 5 CCBDMN O=C(NCC[C@@H](O)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001448546376 930915189 /nfs/dbraw/zinc/91/51/89/930915189.db2.gz OGYPNIMMYJPSLM-HSUXUTPPSA-N 0 1 256.180 0.081 20 5 CCBDMN C[N@@H+]1C[C@H]2CN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])C[C@H]2C1 ZINC001349486904 962467958 /nfs/dbraw/zinc/46/79/58/962467958.db2.gz JXJRFZSEGRILLO-DTORHVGOSA-N 0 1 292.295 0.686 20 5 CCBDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001603367929 972873733 /nfs/dbraw/zinc/87/37/33/972873733.db2.gz LDXINHHKVMMYEQ-BDAKNGLRSA-N 0 1 282.300 0.871 20 5 CCBDMN O=C([O-])[C@H]1C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000401899328 973502604 /nfs/dbraw/zinc/50/26/04/973502604.db2.gz CKSJGLWZPRTRAP-CMPLNLGQSA-N 0 1 280.280 0.862 20 5 CCBDMN O=C([O-])[C@H]1C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000401899330 973502875 /nfs/dbraw/zinc/50/28/75/973502875.db2.gz CKSJGLWZPRTRAP-JQWIXIFHSA-N 0 1 280.280 0.862 20 5 CCBDMN CC[C@@H](C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)[O-] ZINC001594985222 982798641 /nfs/dbraw/zinc/79/86/41/982798641.db2.gz KFTWFEGATLASBF-SNVBAGLBSA-N 0 1 297.311 0.942 20 5 CCBDMN CC(C)[C@H]1CNCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000599614822 361760090 /nfs/dbraw/zinc/76/00/90/361760090.db2.gz UMWKGDLRFYJDGO-LLVKDONJSA-N 0 1 293.327 0.873 20 5 CCBDMN O=C(NCCN1CCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000337615290 214180573 /nfs/dbraw/zinc/18/05/73/214180573.db2.gz LDVISOHVRBRSSO-UHFFFAOYSA-N 0 1 266.257 0.131 20 5 CCBDMN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1COCCN1 ZINC000599910730 361828272 /nfs/dbraw/zinc/82/82/72/361828272.db2.gz SRTSJCGIJRXEFX-NSHDSACASA-N 0 1 294.311 0.382 20 5 CCBDMN O=[N+]([O-])c1ccccc1/C=C\CN(CCO)CCO ZINC000600179328 361883156 /nfs/dbraw/zinc/88/31/56/361883156.db2.gz NMCYDBSWLFXYHS-HYXAFXHYSA-N 0 1 266.297 0.895 20 5 CCBDMN CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000096996835 185149234 /nfs/dbraw/zinc/14/92/34/185149234.db2.gz CHEJVNRPEHEXAI-UHFFFAOYSA-N 0 1 291.304 0.574 20 5 CCBDMN CC(C)Oc1nc(NC[C@H]2COCCN2)ccc1[N+](=O)[O-] ZINC000600953950 362099208 /nfs/dbraw/zinc/09/92/08/362099208.db2.gz HTUPQSRAJQNMBS-JTQLQIEISA-N 0 1 296.327 0.599 20 5 CCBDMN Cc1c(CC(=O)NC[C@H]2COCCN2)cccc1[N+](=O)[O-] ZINC000602549531 362673850 /nfs/dbraw/zinc/67/38/50/362673850.db2.gz DGLYUFOEJOYNAI-LBPRGKRZSA-N 0 1 293.323 0.550 20 5 CCBDMN C[C@@H]1C[C@@H](CO)CN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602698996 362757238 /nfs/dbraw/zinc/75/72/38/362757238.db2.gz OXKMNXVFSAEQJI-NXEZZACHSA-N 0 1 268.317 0.779 20 5 CCBDMN O=C([O-])[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000262290134 137035679 /nfs/dbraw/zinc/03/56/79/137035679.db2.gz NKPPIIDSTKYLSP-VIFPVBQESA-N 0 1 268.273 0.730 20 5 CCBDMN Cn1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc(Cl)c1=O ZINC000343845535 137161396 /nfs/dbraw/zinc/16/13/96/137161396.db2.gz GHKRGPWLMVXJDK-UHFFFAOYSA-N 0 1 297.658 0.922 20 5 CCBDMN CN1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026781523 348094903 /nfs/dbraw/zinc/09/49/03/348094903.db2.gz CRDFYPGGYQCIJS-ZDUSSCGKSA-N 0 1 295.339 0.582 20 5 CCBDMN Cc1nn(C)c(NCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000037760115 348201032 /nfs/dbraw/zinc/20/10/32/348201032.db2.gz XBPSZTJXAAOTCH-UHFFFAOYSA-N 0 1 282.348 0.296 20 5 CCBDMN O=C(C[C@H]1COCCN1)Nc1cccc([N+](=O)[O-])c1 ZINC000128871239 187395553 /nfs/dbraw/zinc/39/55/53/187395553.db2.gz NHKPNPZCXMWQTO-JTQLQIEISA-N 0 1 265.269 0.912 20 5 CCBDMN Cc1n[nH]c(C(=O)N(C)CCN2CCOCC2)c1[N+](=O)[O-] ZINC000066118249 348733976 /nfs/dbraw/zinc/73/39/76/348733976.db2.gz PFSNHKSOVJOJHX-UHFFFAOYSA-N 0 1 297.315 0.031 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CCOCC2)c1[N+](=O)[O-] ZINC000068283387 348806106 /nfs/dbraw/zinc/80/61/06/348806106.db2.gz HBQRBACCWKBGSV-UHFFFAOYSA-N 0 1 268.273 0.743 20 5 CCBDMN CN(C)CCN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O ZINC000078416194 349138103 /nfs/dbraw/zinc/13/81/03/349138103.db2.gz JFJLTIXOULZZNF-UHFFFAOYSA-N 0 1 299.308 0.301 20 5 CCBDMN O=C(Cc1ccccc1[N+](=O)[O-])NCCc1nc[nH]n1 ZINC000080585751 349219939 /nfs/dbraw/zinc/21/99/39/349219939.db2.gz VTUWJEDIZIQHNH-UHFFFAOYSA-N 0 1 275.268 0.614 20 5 CCBDMN Cc1nn(C)c(NCCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000080588594 349221035 /nfs/dbraw/zinc/22/10/35/349221035.db2.gz QRHFBVBPHSYHPN-UHFFFAOYSA-N 0 1 265.277 0.800 20 5 CCBDMN COC[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000159676959 350684978 /nfs/dbraw/zinc/68/49/78/350684978.db2.gz NNMYQCQWSSGYOP-MRVPVSSYSA-N 0 1 253.258 0.815 20 5 CCBDMN CC[NH+]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000166657518 350800399 /nfs/dbraw/zinc/80/03/99/350800399.db2.gz IZJWMOVRBVWWRC-UHFFFAOYSA-N 0 1 280.284 0.830 20 5 CCBDMN C[C@H](O)CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000177409730 351202864 /nfs/dbraw/zinc/20/28/64/351202864.db2.gz XHIULFDTNGJFDX-ZETCQYMHSA-N 0 1 278.268 0.924 20 5 CCBDMN Cn1ncnc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000180820245 351292811 /nfs/dbraw/zinc/29/28/11/351292811.db2.gz SAXPEIJIWUVDHN-UHFFFAOYSA-N 0 1 297.296 0.665 20 5 CCBDMN CN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000604229166 363182893 /nfs/dbraw/zinc/18/28/93/363182893.db2.gz KFDSAYVHFNXTCQ-QMMMGPOBSA-N 0 1 252.274 0.747 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCN(C)C2=O)c1[N+](=O)[O-] ZINC000265779461 352663455 /nfs/dbraw/zinc/66/34/55/352663455.db2.gz IXPFJNNEOFJGTJ-QMMMGPOBSA-N 0 1 295.299 0.183 20 5 CCBDMN CCc1nc([C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000270803090 352988177 /nfs/dbraw/zinc/98/81/77/352988177.db2.gz WSWGYEKEYWSCIC-SSDOTTSWSA-N 0 1 293.287 0.349 20 5 CCBDMN CO[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270562132 352948390 /nfs/dbraw/zinc/94/83/90/352948390.db2.gz KPVRBODUXONYNH-NSHDSACASA-N 0 1 267.285 0.477 20 5 CCBDMN C[C@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000270863699 352997589 /nfs/dbraw/zinc/99/75/89/352997589.db2.gz IOAMBQBWGFUNAM-JOYOIKCWSA-N 0 1 282.300 0.989 20 5 CCBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)[C@H](C)CN1CCO ZINC000419000533 234282785 /nfs/dbraw/zinc/28/27/85/234282785.db2.gz KLPSHMGJAPBUDK-NXEZZACHSA-N 0 1 281.316 0.276 20 5 CCBDMN CNC(=O)[C@@H](C)CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272632548 353081569 /nfs/dbraw/zinc/08/15/69/353081569.db2.gz BPOFBGJGRXQLSL-QMMMGPOBSA-N 0 1 295.295 0.755 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)n1 ZINC000272664013 353083675 /nfs/dbraw/zinc/08/36/75/353083675.db2.gz RWLJUUWXVKMLNL-ZJUUUORDSA-N 0 1 293.327 0.495 20 5 CCBDMN C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000277632948 353255300 /nfs/dbraw/zinc/25/53/00/353255300.db2.gz DHYFPBSHMDIQRM-SSDOTTSWSA-N 0 1 268.273 0.375 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](O)[C@@H](O)C1 ZINC000278378967 353296467 /nfs/dbraw/zinc/29/64/67/353296467.db2.gz LKHQWWGNHFOYGK-TXEJJXNPSA-N 0 1 252.270 0.441 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000278470718 353301723 /nfs/dbraw/zinc/30/17/23/353301723.db2.gz TYYXULWUKDPLRO-ZETCQYMHSA-N 0 1 268.273 0.477 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C[C@@H](C)OC)c1[N+](=O)[O-] ZINC000286692840 353604358 /nfs/dbraw/zinc/60/43/58/353604358.db2.gz ZDMPGFBUEPFEBQ-SSDOTTSWSA-N 0 1 270.289 0.987 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C[C@H](C)O)c1[N+](=O)[O-] ZINC000291324790 353778930 /nfs/dbraw/zinc/77/89/30/353778930.db2.gz ZFNTWUDHRNMWKU-LURJTMIESA-N 0 1 256.262 0.333 20 5 CCBDMN CC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CCO1 ZINC000299546174 354026341 /nfs/dbraw/zinc/02/63/41/354026341.db2.gz PREKSICBWSMYNJ-MRVPVSSYSA-N 0 1 268.273 0.877 20 5 CCBDMN O=[N+]([O-])c1ncccc1NCCN1CCC(O)CC1 ZINC000322270093 354229092 /nfs/dbraw/zinc/22/90/92/354229092.db2.gz OSGYNZBFSAFEQN-UHFFFAOYSA-N 0 1 266.301 0.858 20 5 CCBDMN COCC1(O)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330485284 354376685 /nfs/dbraw/zinc/37/66/85/354376685.db2.gz ATAMPLOZGFKPQC-UHFFFAOYSA-N 0 1 284.316 0.265 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCC(=O)NC1(C)C ZINC000338598422 355375847 /nfs/dbraw/zinc/37/58/47/355375847.db2.gz LNNWOSLWNAQPEV-VIFPVBQESA-N 0 1 281.316 0.475 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N=c2nc(SC)[nH][nH]2)n1 ZINC000427471116 235366003 /nfs/dbraw/zinc/36/60/03/235366003.db2.gz XCWVNNVMCQQRFP-UHFFFAOYSA-N 0 1 297.300 0.325 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3[nH]nnc3C2)n1 ZINC000427833991 235382115 /nfs/dbraw/zinc/38/21/15/235382115.db2.gz QKJYWZUMKJKJRH-UHFFFAOYSA-N 0 1 291.271 0.128 20 5 CCBDMN Cc1cc(C(=O)NC2(c3nn[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000348285220 355904302 /nfs/dbraw/zinc/90/43/02/355904302.db2.gz YSWLHEHNUANJFX-UHFFFAOYSA-N 0 1 288.267 0.835 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](c2cc[nH]n2)C1 ZINC000363142438 138086049 /nfs/dbraw/zinc/08/60/49/138086049.db2.gz MDEWRYNUDACFOA-IQJOONFLSA-N 0 1 264.285 0.781 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000619781526 366350829 /nfs/dbraw/zinc/35/08/29/366350829.db2.gz WMAXIEYTHRVPED-TXEJJXNPSA-N 0 1 294.263 0.540 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000360149552 356960329 /nfs/dbraw/zinc/96/03/29/356960329.db2.gz OANDLKQPSLNACP-UHFFFAOYSA-N 0 1 277.244 0.194 20 5 CCBDMN CCNC(=O)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000294356614 199010432 /nfs/dbraw/zinc/01/04/32/199010432.db2.gz NTFZKSWOPMMFHT-QMMMGPOBSA-N 0 1 283.288 0.208 20 5 CCBDMN C[C@H]1C[C@H](O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000408292537 358014481 /nfs/dbraw/zinc/01/44/81/358014481.db2.gz CZEWWMKYQXIQFH-CPCISQLKSA-N 0 1 266.253 0.896 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000567831801 358597045 /nfs/dbraw/zinc/59/70/45/358597045.db2.gz QMVXZSKAGROLKE-BDAKNGLRSA-N 0 1 292.295 0.662 20 5 CCBDMN NC(=O)C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000588803685 359338988 /nfs/dbraw/zinc/33/89/88/359338988.db2.gz TUVKOWKTZMGGAE-QMMMGPOBSA-N 0 1 293.279 0.638 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588864040 359343039 /nfs/dbraw/zinc/34/30/39/359343039.db2.gz XJMULBFJRDUIGB-UWVGGRQHSA-N 0 1 295.295 0.469 20 5 CCBDMN C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590402746 359454258 /nfs/dbraw/zinc/45/42/58/359454258.db2.gz FENJZXWCVFHNAJ-SCZZXKLOSA-N 0 1 294.311 0.860 20 5 CCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H]1CCC[NH2+]C1 ZINC000563106774 291193813 /nfs/dbraw/zinc/19/38/13/291193813.db2.gz BMUKDKLACLUODA-IUCAKERBSA-N 0 1 294.311 0.813 20 5 CCBDMN C[C@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000592295353 359813801 /nfs/dbraw/zinc/81/38/01/359813801.db2.gz PRFYBZZOSFOQFH-QMMMGPOBSA-N 0 1 294.311 0.895 20 5 CCBDMN [NH3+][C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000592382620 359829349 /nfs/dbraw/zinc/82/93/49/359829349.db2.gz ZFRNUOJXSRCNPM-OLQVQODUSA-N 0 1 277.327 0.424 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CN(C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592900695 359972862 /nfs/dbraw/zinc/97/28/62/359972862.db2.gz HQKUQMUAZHQQOS-ZETCQYMHSA-N 0 1 295.299 0.702 20 5 CCBDMN C[C@@H](CCO)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593108671 360040608 /nfs/dbraw/zinc/04/06/08/360040608.db2.gz YVLHIBKIMKBDSH-VIFPVBQESA-N 0 1 281.312 0.896 20 5 CCBDMN CC(C)[N@H+](CCC(=O)[O-])CCn1cc([N+](=O)[O-])cn1 ZINC000593747062 360146614 /nfs/dbraw/zinc/14/66/14/360146614.db2.gz QQBOJRRMEWGQQO-UHFFFAOYSA-N 0 1 270.289 0.976 20 5 CCBDMN C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C(=O)[O-])C1 ZINC000593748743 360147547 /nfs/dbraw/zinc/14/75/47/360147547.db2.gz RLEVHPRLJCGIFO-KOLCDFICSA-N 0 1 282.300 0.976 20 5 CCBDMN CO[C@H](C)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594754268 360376822 /nfs/dbraw/zinc/37/68/22/360376822.db2.gz ZLECGZWKBVOFNY-MRVPVSSYSA-N 0 1 289.313 0.693 20 5 CCBDMN CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597947376 361288810 /nfs/dbraw/zinc/28/88/10/361288810.db2.gz XFGDFSRMGBYYMA-MRVPVSSYSA-N 0 1 267.289 0.484 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000598114059 361338449 /nfs/dbraw/zinc/33/84/49/361338449.db2.gz QNVSJHNULDSPJR-RNFRBKRXSA-N 0 1 280.284 0.923 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC2CC2)n1 ZINC000599250142 361620748 /nfs/dbraw/zinc/62/07/48/361620748.db2.gz KRJVYVUIVJZMCK-UHFFFAOYSA-N 0 1 274.302 0.407 20 5 CCBDMN CC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000599346600 361663815 /nfs/dbraw/zinc/66/38/15/361663815.db2.gz LKFJJGKZOSONIG-QMMMGPOBSA-N 0 1 288.329 0.795 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CC[C@H](n3cncn3)C2)n1 ZINC000614419187 364599493 /nfs/dbraw/zinc/59/94/93/364599493.db2.gz YWCIDIQRXDWTLH-JTQLQIEISA-N 0 1 277.288 0.330 20 5 CCBDMN CC(C)(N)c1noc(Cn2nccc2[N+](=O)[O-])n1 ZINC000564927775 291317612 /nfs/dbraw/zinc/31/76/12/291317612.db2.gz XHRHZUWDRKAVLM-UHFFFAOYSA-N 0 1 252.234 0.416 20 5 CCBDMN CC1(C)CN(c2cccnc2[N+](=O)[O-])CCN1CCO ZINC000614829261 364738753 /nfs/dbraw/zinc/73/87/53/364738753.db2.gz LZIHVSAYGAUTHE-UHFFFAOYSA-N 0 1 280.328 0.883 20 5 CCBDMN COCCCN(CCO)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000275867221 193150282 /nfs/dbraw/zinc/15/02/82/193150282.db2.gz JNSAMDOCXQJOGO-UHFFFAOYSA-N 0 1 286.288 0.097 20 5 CCBDMN C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCC1 ZINC000276107170 193215450 /nfs/dbraw/zinc/21/54/50/193215450.db2.gz XGTUJHJZCCOSJK-UHFFFAOYSA-N 0 1 294.311 0.910 20 5 CCBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1CC[NH2+]CC1 ZINC000569456261 291680195 /nfs/dbraw/zinc/68/01/95/291680195.db2.gz XLHACURBHPZGHF-UHFFFAOYSA-N 0 1 286.313 0.020 20 5 CCBDMN CC(C)(C)[C@@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000278520581 194024609 /nfs/dbraw/zinc/02/46/09/194024609.db2.gz YRFGMOMAXBQTQQ-SSDOTTSWSA-N 0 1 256.262 0.455 20 5 CCBDMN CN(Cc1nncn1C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000288412269 197071560 /nfs/dbraw/zinc/07/15/60/197071560.db2.gz TYODTNXRFXQTLO-UHFFFAOYSA-N 0 1 291.267 0.701 20 5 CCBDMN COC(=O)C1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000425157245 533181618 /nfs/dbraw/zinc/18/16/18/533181618.db2.gz ANDSNRVQLROXBE-UHFFFAOYSA-N 0 1 294.263 0.936 20 5 CCBDMN O=c1[nH]nc(C2CCN(c3ncc([N+](=O)[O-])cn3)CC2)o1 ZINC000291224827 388919037 /nfs/dbraw/zinc/91/90/37/388919037.db2.gz WHBJXUWHDJKFAI-UHFFFAOYSA-N 0 1 292.255 0.445 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN(C2CC2)C1 ZINC000295226364 388995041 /nfs/dbraw/zinc/99/50/41/388995041.db2.gz BDUSFULPVWEJFL-VIFPVBQESA-N 0 1 293.327 0.874 20 5 CCBDMN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000302415930 389070232 /nfs/dbraw/zinc/07/02/32/389070232.db2.gz HUNGQRFQHMDMJW-WDEREUQCSA-N 0 1 280.328 0.881 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)[C@@H]2CCNC2=O)c1[N+](=O)[O-] ZINC000340453712 389159515 /nfs/dbraw/zinc/15/95/15/389159515.db2.gz HVDIMUDZQBPYGU-MRVPVSSYSA-N 0 1 295.299 0.231 20 5 CCBDMN CN(C)c1n[nH]c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000340974916 389172949 /nfs/dbraw/zinc/17/29/49/389172949.db2.gz JFVFKJWOINUWEU-UHFFFAOYSA-N 0 1 292.255 0.737 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000263854312 389302231 /nfs/dbraw/zinc/30/22/31/389302231.db2.gz FOWBZRKPCMLYPE-SSDOTTSWSA-N 0 1 268.273 0.877 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000373524834 389491085 /nfs/dbraw/zinc/49/10/85/389491085.db2.gz VHXRDMBJUPMCLY-PRULPYPASA-N 0 1 284.312 0.448 20 5 CCBDMN CC(C)CN(CCn1cc([N+](=O)[O-])cn1)CC(N)=O ZINC000172719979 389492779 /nfs/dbraw/zinc/49/27/79/389492779.db2.gz WTYCAUIEOYOZRX-UHFFFAOYSA-N 0 1 269.305 0.235 20 5 CCBDMN C[C@H]1[C@H](C)N(C(=O)Nc2ccncc2[N+](=O)[O-])CCN1C ZINC000349904780 389456035 /nfs/dbraw/zinc/45/60/35/389456035.db2.gz KGNJBVUUOPOWGV-UWVGGRQHSA-N 0 1 293.327 0.968 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(=O)N(C2CC2)C1 ZINC000279542081 389587668 /nfs/dbraw/zinc/58/76/68/389587668.db2.gz ILMPCWIZUHFRHK-UHFFFAOYSA-N 0 1 291.263 0.705 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000179882736 389664380 /nfs/dbraw/zinc/66/43/80/389664380.db2.gz OGAABGXFZAWARO-GFCCVEGCSA-N 0 1 282.300 0.867 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000351848080 389697061 /nfs/dbraw/zinc/69/70/61/389697061.db2.gz AOVWCBDEODUZCH-VDTYLAMSSA-N 0 1 254.246 0.079 20 5 CCBDMN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H](C)O ZINC000352187635 389768321 /nfs/dbraw/zinc/76/83/21/389768321.db2.gz SQEIBEUKHSJGEO-VIFPVBQESA-N 0 1 281.312 0.896 20 5 CCBDMN COc1cc(CN(CCO)CCO)ccc1[N+](=O)[O-] ZINC000352405048 389805077 /nfs/dbraw/zinc/80/50/77/389805077.db2.gz KVMDYBWCYMTHGB-UHFFFAOYSA-N 0 1 270.285 0.390 20 5 CCBDMN NC(=O)c1ccc(CN(CCO)CC2CC2)c([N+](=O)[O-])c1 ZINC000352484049 389817946 /nfs/dbraw/zinc/81/79/46/389817946.db2.gz KYHOCNBNSAALEO-UHFFFAOYSA-N 0 1 293.323 0.898 20 5 CCBDMN C[C@@H]1OCC[C@@]1(C)NCc1c([N+](=O)[O-])ncn1C ZINC000494251788 390160580 /nfs/dbraw/zinc/16/05/80/390160580.db2.gz STZCLADTPAHHHO-GZMMTYOYSA-N 0 1 254.290 0.985 20 5 CCBDMN O=C1NC2(CO1)CCN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000495255798 390229840 /nfs/dbraw/zinc/22/98/40/390229840.db2.gz VWPLEOKXJXEIQB-UHFFFAOYSA-N 0 1 295.299 0.366 20 5 CCBDMN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496104805 390301480 /nfs/dbraw/zinc/30/14/80/390301480.db2.gz VNDMVNICJNJYLC-IWSPIJDZSA-N 0 1 287.316 0.681 20 5 CCBDMN COC(=O)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])CC1CC1 ZINC000566073202 390574371 /nfs/dbraw/zinc/57/43/71/390574371.db2.gz HJEARZCZGHHINB-QMMMGPOBSA-N 0 1 296.283 0.637 20 5 CCBDMN CNc1nccc(C(=O)N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000571774541 390752598 /nfs/dbraw/zinc/75/25/98/390752598.db2.gz JGMZAPVXVVBXQP-UHFFFAOYSA-N 0 1 293.327 0.277 20 5 CCBDMN O=C(NC[C@H](CO)Cc1ccco1)c1n[nH]cc1[N+](=O)[O-] ZINC000534268767 390890205 /nfs/dbraw/zinc/89/02/05/390890205.db2.gz YYZJJOBLKXFTPL-MRVPVSSYSA-N 0 1 294.267 0.492 20 5 CCBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCN(C)C1=O ZINC000269128375 132116958 /nfs/dbraw/zinc/11/69/58/132116958.db2.gz AEACYBXIDXQFFV-NSHDSACASA-N 0 1 293.279 0.603 20 5 CCBDMN O=C(NCc1ncc[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356575755 144015599 /nfs/dbraw/zinc/01/55/99/144015599.db2.gz KQKUMGALKXQQNH-UHFFFAOYSA-N 0 1 262.225 0.954 20 5 CCBDMN C[C@@H]1[C@@H](C)N(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000356886847 144041490 /nfs/dbraw/zinc/04/14/90/144041490.db2.gz TVCCGXGOCBJCNQ-NXEZZACHSA-N 0 1 281.316 0.342 20 5 CCBDMN NC(=O)c1ccnc(N[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000357190451 144068239 /nfs/dbraw/zinc/06/82/39/144068239.db2.gz QYOBDIDUDFJIIQ-MRVPVSSYSA-N 0 1 291.311 0.737 20 5 CCBDMN C[C@@H]1[C@H](C)N(c2nccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000357479007 144095233 /nfs/dbraw/zinc/09/52/33/144095233.db2.gz NTVIKUDLBMPZTQ-BDAKNGLRSA-N 0 1 293.327 0.618 20 5 CCBDMN CCCc1n[nH]c(C(=O)NCc2cnc[nH]2)c1[N+](=O)[O-] ZINC000358591625 144164850 /nfs/dbraw/zinc/16/48/50/144164850.db2.gz PKWBFKWFXDJTDE-UHFFFAOYSA-N 0 1 278.272 0.924 20 5 CCBDMN C[C@H](CN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000359092049 144193632 /nfs/dbraw/zinc/19/36/32/144193632.db2.gz CFGIMZRWSAYXLN-SNVBAGLBSA-N 0 1 295.343 0.289 20 5 CCBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@H](O)C[C@H]2CO)c1 ZINC000372159828 144356253 /nfs/dbraw/zinc/35/62/53/144356253.db2.gz FURRCTLVIIWOOV-XQQFMLRXSA-N 0 1 282.296 0.056 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nn[nH]n1 ZINC000044929558 411631868 /nfs/dbraw/zinc/63/18/68/411631868.db2.gz DTGCFZJKUUSUJJ-UHFFFAOYSA-N 0 1 262.229 0.346 20 5 CCBDMN COCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CC1 ZINC000331441687 228102758 /nfs/dbraw/zinc/10/27/58/228102758.db2.gz FGVLSJACCTUPGI-UHFFFAOYSA-N 0 1 268.273 0.877 20 5 CCBDMN COC(=O)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])CC(C)C ZINC000179438819 260049411 /nfs/dbraw/zinc/04/94/11/260049411.db2.gz DZJAKJKKJMQVFT-QMMMGPOBSA-N 0 1 298.299 0.883 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CCN([C@H]3CCC[C@H]3O)CC2)nc1 ZINC000363915141 275040990 /nfs/dbraw/zinc/04/09/90/275040990.db2.gz XVMNCQKEXVYYHW-NWDGAFQWSA-N 0 1 293.327 0.420 20 5 CCBDMN C[C@H](C[NH3+])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122201617 279297967 /nfs/dbraw/zinc/29/79/67/279297967.db2.gz VCNKDQSJIQYJSP-ZCFIWIBFSA-N 0 1 277.277 0.359 20 5 CCBDMN C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC(=O)N1 ZINC000449523983 279865643 /nfs/dbraw/zinc/86/56/43/279865643.db2.gz MVYQVXBZAVIPGF-QMMMGPOBSA-N 0 1 265.269 0.621 20 5 CCBDMN NC(=O)[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000341679941 295103499 /nfs/dbraw/zinc/10/34/99/295103499.db2.gz YZADSFRSLZEYKY-NSHDSACASA-N 0 1 293.279 0.780 20 5 CCBDMN COC(=O)C[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000582842563 329276933 /nfs/dbraw/zinc/27/69/33/329276933.db2.gz FSANYTSOCFAIEX-JTQLQIEISA-N 0 1 281.268 0.101 20 5 CCBDMN Cc1nc(CS(=O)(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000427068495 534399968 /nfs/dbraw/zinc/39/99/68/534399968.db2.gz AVWNOVXFMGINTD-UHFFFAOYSA-N 0 1 282.281 0.995 20 5 CCBDMN O=[N+]([O-])c1cccc(CN[C@]2(CO)CCOC2)c1 ZINC000184195818 527386644 /nfs/dbraw/zinc/38/66/44/527386644.db2.gz MDOKYKJGQYCUMH-LBPRGKRZSA-N 0 1 252.270 0.836 20 5 CCBDMN Cc1nn(C)c(C(=O)N2CCN3CCC2CC3)c1[N+](=O)[O-] ZINC000365033081 527599277 /nfs/dbraw/zinc/59/92/77/527599277.db2.gz NCPVMECOWJTVQI-UHFFFAOYSA-N 0 1 293.327 0.557 20 5 CCBDMN CC[C@@H](C)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000456554463 529352086 /nfs/dbraw/zinc/35/20/86/529352086.db2.gz OUMQBUPNLUTSID-SNVBAGLBSA-N 0 1 296.331 0.129 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](CO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000362348900 536002968 /nfs/dbraw/zinc/00/29/68/536002968.db2.gz OORJDKHDXOUNHC-HTQZYQBOSA-N 0 1 282.300 0.581 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](CO)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000362360106 536003155 /nfs/dbraw/zinc/00/31/55/536003155.db2.gz RRCMFEZKIDXKMF-YUMQZZPRSA-N 0 1 298.299 0.102 20 5 CCBDMN CCc1nc(COC(=O)c2cc([N+](=O)[O-])cnc2N)n[nH]1 ZINC000754868544 581613708 /nfs/dbraw/zinc/61/37/08/581613708.db2.gz VMQSHWRMEUXSBT-UHFFFAOYSA-N 0 1 292.255 0.610 20 5 CCBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000740057132 581648495 /nfs/dbraw/zinc/64/84/95/581648495.db2.gz PTXNAWYVXSWOSE-KOLCDFICSA-N 0 1 296.279 0.493 20 5 CCBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000740057132 581648497 /nfs/dbraw/zinc/64/84/97/581648497.db2.gz PTXNAWYVXSWOSE-KOLCDFICSA-N 0 1 296.279 0.493 20 5 CCBDMN CCNC(=O)NCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000731552997 581771516 /nfs/dbraw/zinc/77/15/16/581771516.db2.gz ZQPOGCRMIMNLEQ-UHFFFAOYSA-N 0 1 284.272 0.789 20 5 CCBDMN CC(C)NC(=O)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000732507714 581832344 /nfs/dbraw/zinc/83/23/44/581832344.db2.gz FXFWOBMLGZFAIV-UHFFFAOYSA-N 0 1 255.230 0.604 20 5 CCBDMN O=[N+]([O-])c1ccnn1CN1CCN(C2CCC2)CC1 ZINC000733297268 581899113 /nfs/dbraw/zinc/89/91/13/581899113.db2.gz KQBPTQOOKMNAPB-UHFFFAOYSA-N 0 1 265.317 0.919 20 5 CCBDMN NC(=O)N[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776599225 582084155 /nfs/dbraw/zinc/08/41/55/582084155.db2.gz YSRDTXOTRZJLSF-JQWIXIFHSA-N 0 1 294.311 0.371 20 5 CCBDMN NC(=O)c1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000062133631 597534823 /nfs/dbraw/zinc/53/48/23/597534823.db2.gz VWWLEKKCUFEXLL-JTQLQIEISA-N 0 1 293.279 0.600 20 5 CCBDMN COc1cc(CCO)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000819942862 617184216 /nfs/dbraw/zinc/18/42/16/617184216.db2.gz FTHYGAWGHXWDPK-MWLCHTKSSA-N 0 1 280.280 0.834 20 5 CCBDMN CC(C)[C@@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000798858382 614079729 /nfs/dbraw/zinc/07/97/29/614079729.db2.gz MSINYBCDLMWNOF-NSHDSACASA-N 0 1 284.316 0.921 20 5 CCBDMN COc1ccc(CN[C@]2(C)CCNC2=O)cc1[N+](=O)[O-] ZINC000897870924 617260309 /nfs/dbraw/zinc/26/03/09/617260309.db2.gz CDUNNNKNMUKHPQ-CYBMUJFWSA-N 0 1 279.296 0.972 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1c[nH]nn1 ZINC000816318594 617282468 /nfs/dbraw/zinc/28/24/68/617282468.db2.gz YIASYOIDPMUIAY-UHFFFAOYSA-N 0 1 263.213 0.974 20 5 CCBDMN COc1cccc2c1OC[C@@H](NCC[N+](=O)[O-])C2 ZINC000905095912 617311846 /nfs/dbraw/zinc/31/18/46/617311846.db2.gz HNHRSBYABDTABQ-JTQLQIEISA-N 0 1 252.270 0.865 20 5 CCBDMN C/C=C(/C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000967949025 613273773 /nfs/dbraw/zinc/27/37/73/613273773.db2.gz CQGNOQUNGZEBCB-LYWJNLOJSA-N 0 1 295.339 0.677 20 5 CCBDMN CC(=O)N1C[C@H]2CN(Cc3cn(C)nc3[N+](=O)[O-])C[C@H]2C1 ZINC000880313417 613631174 /nfs/dbraw/zinc/63/11/74/613631174.db2.gz MYLFRDONZMEZSJ-PHIMTYICSA-N 0 1 293.327 0.238 20 5 CCBDMN CC(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976484129 614016625 /nfs/dbraw/zinc/01/66/25/614016625.db2.gz PEIFNNVRQYTMEM-HMUNZLOLSA-N 0 1 295.339 0.271 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)Nc2c[nH]nn2)c1[N+](=O)[O-] ZINC000816317291 614297903 /nfs/dbraw/zinc/29/79/03/614297903.db2.gz NUASTDPHCQINGV-UHFFFAOYSA-N 0 1 265.233 0.812 20 5 CCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000882465413 615530192 /nfs/dbraw/zinc/53/01/92/615530192.db2.gz YEPCOMWJZMNZEN-LNFKQOIKSA-N 0 1 256.302 0.973 20 5 CCBDMN CN(C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840300837 615865248 /nfs/dbraw/zinc/86/52/48/615865248.db2.gz CTEHZYDELHEHQC-BBBLOLIVSA-N 0 1 299.352 0.174 20 5 CCBDMN CCn1cc(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000842342064 615981622 /nfs/dbraw/zinc/98/16/22/615981622.db2.gz WGNYKUUQXKEHDI-NXEZZACHSA-N 0 1 253.258 0.654 20 5 CCBDMN CN1CC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000928571639 616288523 /nfs/dbraw/zinc/28/85/23/616288523.db2.gz BMSLFSYJNWJPAX-LLVKDONJSA-N 0 1 263.297 0.958 20 5 CCBDMN COC(=O)[C@@H]1CCN(CC[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000931263701 616306606 /nfs/dbraw/zinc/30/66/06/616306606.db2.gz UXENEYCTTPQLAE-HBNTYKKESA-N 0 1 256.302 0.927 20 5 CCBDMN CN1C[C@H](O)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000924979464 616488889 /nfs/dbraw/zinc/48/88/89/616488889.db2.gz FILCCKARDXHXMH-VHSXEESVSA-N 0 1 297.286 0.529 20 5 CCBDMN COC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000843681858 616589799 /nfs/dbraw/zinc/58/97/99/616589799.db2.gz QPBMCKNZLLFVIJ-HRDYMLBCSA-N 0 1 272.301 0.746 20 5 CCBDMN COC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840276131 616591702 /nfs/dbraw/zinc/59/17/02/616591702.db2.gz PBNSAYVMNYQDOX-VXGBXAGGSA-N 0 1 292.291 0.853 20 5 CCBDMN COC(=O)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC1 ZINC000846457179 616599785 /nfs/dbraw/zinc/59/97/85/616599785.db2.gz BDHKYRQJBSANLD-IVZWLZJFSA-N 0 1 270.285 0.357 20 5 CCBDMN COC(=O)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000870704667 616642382 /nfs/dbraw/zinc/64/23/82/616642382.db2.gz CQCYNCALRHJYQE-OPRDCNLKSA-N 0 1 271.269 0.927 20 5 CCBDMN COCOCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000848169406 616770633 /nfs/dbraw/zinc/77/06/33/616770633.db2.gz KYQIGSULZBLQMD-UHFFFAOYSA-N 0 1 258.234 0.058 20 5 CCBDMN COC(=O)c1ccccc1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000886294213 616934598 /nfs/dbraw/zinc/93/45/98/616934598.db2.gz MECPXOSIBYWTFN-VXGBXAGGSA-N 0 1 292.291 0.797 20 5 CCBDMN CO[C@@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCOC1 ZINC000845784742 616949213 /nfs/dbraw/zinc/94/92/13/616949213.db2.gz WMOVGLGRHJLMAN-NSHDSACASA-N 0 1 270.241 0.885 20 5 CCBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccoc1 ZINC000972965956 623495789 /nfs/dbraw/zinc/49/57/89/623495789.db2.gz AIECBOSFRXTGEI-GWOFURMSSA-N 0 1 293.279 0.322 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N[C@H]1CCN(C2CC2)C1 ZINC000891999725 625022430 /nfs/dbraw/zinc/02/24/30/625022430.db2.gz IYOJPBOCVFZRRF-QMMMGPOBSA-N 0 1 251.290 0.977 20 5 CCBDMN O=[N+]([O-])CCNCCc1nnc2n1CCCCC2 ZINC000905028019 634788530 /nfs/dbraw/zinc/78/85/30/634788530.db2.gz YHXIICPRLMODPL-UHFFFAOYSA-N 0 1 253.306 0.413 20 5 CCBDMN CC(C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991294172 635864194 /nfs/dbraw/zinc/86/41/94/635864194.db2.gz TYLYNOIYCSHDJT-GHMZBOCLSA-N 0 1 297.355 0.661 20 5 CCBDMN CC(C)=CC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001796479 639341082 /nfs/dbraw/zinc/34/10/82/639341082.db2.gz QWVKUIWUSQAUBG-GHMZBOCLSA-N 0 1 281.312 0.192 20 5 CCBDMN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839460842 640316002 /nfs/dbraw/zinc/31/60/02/640316002.db2.gz VDUFQKGVBUTSMO-HZGVNTEJSA-N 0 1 262.225 0.872 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000839573145 640344268 /nfs/dbraw/zinc/34/42/68/640344268.db2.gz UTAWIJSUNIPWBM-YUSALJHKSA-N 0 1 291.307 0.473 20 5 CCBDMN C[C@](O)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839685023 640350311 /nfs/dbraw/zinc/35/03/11/640350311.db2.gz ZRTSDWQSKJWTFN-WZRBSPASSA-N 0 1 264.281 0.676 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000839701628 640351641 /nfs/dbraw/zinc/35/16/41/640351641.db2.gz RVGYNUCBRJFRBD-GWOFURMSSA-N 0 1 270.285 0.058 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@](O)(C(F)(F)F)C1 ZINC000839694333 640351908 /nfs/dbraw/zinc/35/19/08/640351908.db2.gz SLRUVPXRBIOHAF-JKMUOGBPSA-N 0 1 268.191 0.177 20 5 CCBDMN C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCCCC1=O ZINC000839733616 640354500 /nfs/dbraw/zinc/35/45/00/640354500.db2.gz LBKIRSQYSCIDDZ-IVZWLZJFSA-N 0 1 269.301 0.169 20 5 CCBDMN O=C(N[C@H]1Cc2cccc(O)c2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839742145 640361301 /nfs/dbraw/zinc/36/13/01/640361301.db2.gz HVQBYTRBQIQLMC-JMJZKYOTSA-N 0 1 262.265 0.641 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000819566716 641420234 /nfs/dbraw/zinc/42/02/34/641420234.db2.gz FFTLAEQHHDFQLN-KCDKBNATSA-N 0 1 256.180 0.080 20 5 CCBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC(=O)NC1 ZINC000837443806 642744819 /nfs/dbraw/zinc/74/48/19/642744819.db2.gz LEVDQHFGLFEEHZ-QMMMGPOBSA-N 0 1 294.263 0.870 20 5 CCBDMN Cc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])nc(C)n1 ZINC000841177541 642807002 /nfs/dbraw/zinc/80/70/02/642807002.db2.gz XMMKZZWXSISFQG-NXEZZACHSA-N 0 1 251.242 0.802 20 5 CCBDMN O=C(OC[C@@H]1CN(C2CC2)C(=O)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000845174340 643287495 /nfs/dbraw/zinc/28/74/95/643287495.db2.gz DVUFYZKPBBMVQM-DJLDLDEBSA-N 0 1 270.241 0.178 20 5 CCBDMN O=C(NC[C@]1(CO)CCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000846345719 643398556 /nfs/dbraw/zinc/39/85/56/643398556.db2.gz XSRMQMPMYLBMAU-KYOSRNDESA-N 0 1 290.319 0.644 20 5 CCBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(O)(CO)CC2)cc1 ZINC000852499491 643973141 /nfs/dbraw/zinc/97/31/41/643973141.db2.gz NUVFYFZZQJIIIQ-ZDUSSCGKSA-N 0 1 296.323 0.447 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCN1CCC1 ZINC000861386729 644875205 /nfs/dbraw/zinc/87/52/05/644875205.db2.gz MGRPNRURIUJAIK-UHFFFAOYSA-N 0 1 282.300 0.739 20 5 CCBDMN O=C(NC[C@H]1COCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000861964127 644948329 /nfs/dbraw/zinc/94/83/29/644948329.db2.gz FOKRYOYOQULARR-QMMMGPOBSA-N 0 1 292.251 0.574 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC(N2CCCC2)C1 ZINC000866107580 645481513 /nfs/dbraw/zinc/48/15/13/645481513.db2.gz YLWFYRMJFMKBBD-UHFFFAOYSA-N 0 1 278.312 0.854 20 5 CCBDMN O=C(Nc1cnn2c1CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000870696821 646018861 /nfs/dbraw/zinc/01/88/61/646018861.db2.gz DNQBIIPHZAMPAD-GMSGAONNSA-N 0 1 250.258 0.823 20 5 CCBDMN Cn1cc(CN2CCC[C@H](C3OCCO3)C2)c([N+](=O)[O-])n1 ZINC000876679052 646642199 /nfs/dbraw/zinc/64/21/99/646642199.db2.gz BAQCLYNVQZBNHU-JTQLQIEISA-N 0 1 296.327 0.913 20 5 CCBDMN Cn1cc(CN2CCC[C@@H](C3OCCO3)C2)c([N+](=O)[O-])n1 ZINC000876679053 646642618 /nfs/dbraw/zinc/64/26/18/646642618.db2.gz BAQCLYNVQZBNHU-SNVBAGLBSA-N 0 1 296.327 0.913 20 5 CCBDMN C[C@H](O)[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000929271065 648722742 /nfs/dbraw/zinc/72/27/42/648722742.db2.gz TZJMXXKLOPOFHJ-SMDDNHRTSA-N 0 1 295.339 0.459 20 5 CCBDMN C[C@@]1(NC(=O)C(F)(F)F)CCN(CC[N+](=O)[O-])C1 ZINC000931568551 649006751 /nfs/dbraw/zinc/00/67/51/649006751.db2.gz YIBJBZWKJWUCGO-MRVPVSSYSA-N 0 1 269.223 0.406 20 5 CCBDMN O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000931612917 649009433 /nfs/dbraw/zinc/00/94/33/649009433.db2.gz RNGGMLHITRULCQ-JHJVBQTASA-N 0 1 299.371 0.395 20 5 CCBDMN C[C@@H](NC[C@@H](O)[C@H](C)O)c1ccccc1[N+](=O)[O-] ZINC000931616601 649009662 /nfs/dbraw/zinc/00/96/62/649009662.db2.gz BPJSYENQEJFUJS-VDDIYKPWSA-N 0 1 254.286 0.987 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CC=CCC1 ZINC000935747959 649256433 /nfs/dbraw/zinc/25/64/33/649256433.db2.gz CCGLNLMPLKZXCH-UHFFFAOYSA-N 0 1 293.327 0.478 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CCS(=O)(=O)C2)n1 ZINC001231259290 805764369 /nfs/dbraw/zinc/76/43/69/805764369.db2.gz JCRXZPJTHOHPHL-ZETCQYMHSA-N 0 1 288.281 0.570 20 5 CCBDMN Cn1cc(C(C)(C)NC(=O)c2n[nH]cc2[N+](=O)[O-])nn1 ZINC001142972781 800182058 /nfs/dbraw/zinc/18/20/58/800182058.db2.gz RXUHRQZHEGJULP-UHFFFAOYSA-N 0 1 279.260 0.112 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001155785738 801049514 /nfs/dbraw/zinc/04/95/14/801049514.db2.gz FSOJTQXLEAJNND-UHFFFAOYSA-N 0 1 255.278 0.599 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1ncc([N+](=O)[O-])cc1F ZINC001156829185 801243812 /nfs/dbraw/zinc/24/38/12/801243812.db2.gz JWPVQWJAVOSKMK-UHFFFAOYSA-N 0 1 278.247 0.561 20 5 CCBDMN Cc1cnc(CN)n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001158162960 801580348 /nfs/dbraw/zinc/58/03/48/801580348.db2.gz KEUIJBHVTOSASO-UHFFFAOYSA-N 0 1 278.228 0.851 20 5 CCBDMN Cc1nc(Cl)nc(NC[C@@H]2COCCN2)c1[N+](=O)[O-] ZINC001159036374 801745088 /nfs/dbraw/zinc/74/50/88/801745088.db2.gz MCCLPJUCHGCTLC-SSDOTTSWSA-N 0 1 287.707 0.747 20 5 CCBDMN COC(=O)c1ccnc(NC[C@H]2COCCN2)c1[N+](=O)[O-] ZINC001159044004 801748310 /nfs/dbraw/zinc/74/83/10/801748310.db2.gz LLUPXONZJDUGMN-QMMMGPOBSA-N 0 1 296.283 0.177 20 5 CCBDMN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncc(C)cc1[N+](=O)[O-] ZINC001159293414 801786682 /nfs/dbraw/zinc/78/66/82/801786682.db2.gz RTOJYCUOLTZRLV-UHFFFAOYSA-N 0 1 277.284 0.999 20 5 CCBDMN C[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC001163069186 802473197 /nfs/dbraw/zinc/47/31/97/802473197.db2.gz IMEUJRANDKPBJT-SNVBAGLBSA-N 0 1 297.359 0.610 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCc1nn[nH]n1 ZINC001223026989 804948127 /nfs/dbraw/zinc/94/81/27/804948127.db2.gz LFTZUUDWZVQOMH-LURJTMIESA-N 0 1 267.249 0.218 20 5 CCBDMN C[C@@H](C[N+](C)(C)C)Oc1cc(=O)[n-]c(N2CCOCC2)n1 ZINC001226728867 805273355 /nfs/dbraw/zinc/27/33/55/805273355.db2.gz VSZQITWVFILHKU-NSHDSACASA-O 0 1 297.379 0.492 20 5 CCBDMN CSc1nc(O[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227624746 805373319 /nfs/dbraw/zinc/37/33/19/805373319.db2.gz DDLXHRKNZKLJGH-LURJTMIESA-N 0 1 286.313 0.895 20 5 CCBDMN COc1cncc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC001168294025 815080998 /nfs/dbraw/zinc/08/09/98/815080998.db2.gz XQAJPHUFPGEOLZ-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN COC(=O)c1c[n-]c(=O)nc1O[C@@H](C)C[N+](C)(C)C ZINC001229870642 805563002 /nfs/dbraw/zinc/56/30/02/805563002.db2.gz LGYDXAZNHKXZJS-QMMMGPOBSA-O 0 1 270.309 0.442 20 5 CCBDMN CNc1c(C(=O)N(C)c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001168359759 815136630 /nfs/dbraw/zinc/13/66/30/815136630.db2.gz UVZRFZWPSACTBD-UHFFFAOYSA-N 0 1 277.244 0.426 20 5 CCBDMN Cc1nc(N[C@@H](C)[C@@H]2CN(C)CCN2C)ncc1[N+](=O)[O-] ZINC001262373216 809294175 /nfs/dbraw/zinc/29/41/75/809294175.db2.gz PQDYGFLYQHSUKH-JQWIXIFHSA-N 0 1 294.359 0.739 20 5 CCBDMN C[C@H](c1nnc(N2CCN(CC3CC3)CC2)n1C)[N+](=O)[O-] ZINC001262863562 809418462 /nfs/dbraw/zinc/41/84/62/809418462.db2.gz JGBZVALIVLTYOZ-SNVBAGLBSA-N 0 1 294.359 0.685 20 5 CCBDMN CN1C[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1=O ZINC001263476798 809521971 /nfs/dbraw/zinc/52/19/71/809521971.db2.gz DMNKUPKNXRSREY-IWSPIJDZSA-N 0 1 256.258 0.063 20 5 CCBDMN CCC(=O)NCC1(NCc2c([N+](=O)[O-])ncn2C)CCC1 ZINC001280462150 810022064 /nfs/dbraw/zinc/02/20/64/810022064.db2.gz GKSHPRMYPUYSJZ-UHFFFAOYSA-N 0 1 295.343 0.867 20 5 CCBDMN O=C(NC1CN(Cc2ccccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292718 815962048 /nfs/dbraw/zinc/96/20/48/815962048.db2.gz UIDLVGPMYLSHDV-VXGBXAGGSA-N 0 1 276.296 0.047 20 5 CCBDMN O=C(NC1CN(Cc2ccsc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030294160 815963244 /nfs/dbraw/zinc/96/32/44/815963244.db2.gz YXUWILLUFBOOPR-GHMZBOCLSA-N 0 1 281.337 0.714 20 5 CCBDMN C[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2nccn21 ZINC001272652255 816939266 /nfs/dbraw/zinc/93/92/66/816939266.db2.gz VRADSYGRJFGTEE-LURQLKTLSA-N 0 1 250.258 0.670 20 5 CCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H](N)C(F)(F)C1 ZINC001166958664 821357436 /nfs/dbraw/zinc/35/74/36/821357436.db2.gz HFLBCYZGYQXKKX-SECBINFHSA-N 0 1 288.254 0.709 20 5 CCBDMN CC(C)(C)c1cnc(-n2nnnc2CN)c([N+](=O)[O-])c1 ZINC001168918823 836051098 /nfs/dbraw/zinc/05/10/98/836051098.db2.gz MFJSLDJMGLRJSQ-UHFFFAOYSA-N 0 1 277.288 0.722 20 5 CCBDMN Cc1cc([N+](=O)[O-])cc(-n2nnnc2CN)c1F ZINC001168924063 836058843 /nfs/dbraw/zinc/05/88/43/836058843.db2.gz FWNWCTQSGIWTEJ-UHFFFAOYSA-N 0 1 252.209 0.477 20 5 CCBDMN C[C@@H]1C(=O)N(C)CCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039497 836112484 /nfs/dbraw/zinc/11/24/84/836112484.db2.gz QDEWLUABYKSAHJ-OUAUKWLOSA-N 0 1 255.318 0.594 20 5 CCBDMN CC[C@@](N)(CO)Nc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001170859672 839441960 /nfs/dbraw/zinc/44/19/60/839441960.db2.gz QNNXOJCKGYMDIF-JTQLQIEISA-N 0 1 266.261 0.335 20 5 CCBDMN CC[C@](N)(CO)Nc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001170860981 839451522 /nfs/dbraw/zinc/45/15/22/839451522.db2.gz ZLYQVCOEUCSAKK-LLVKDONJSA-N 0 1 265.273 0.940 20 5 CCBDMN C[NH+](C)CCO[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000714054772 841170191 /nfs/dbraw/zinc/17/01/91/841170191.db2.gz QLLXUMGJKVPDTG-UHFFFAOYSA-N 0 1 271.248 0.957 20 5 CCBDMN CN1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C(C)(C)C1 ZINC001178710163 842911763 /nfs/dbraw/zinc/91/17/63/842911763.db2.gz WMHQGTVJNHXHOL-MRVPVSSYSA-N 0 1 267.289 0.388 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2cc(O)ccc2C1 ZINC001181524643 843509449 /nfs/dbraw/zinc/50/94/49/843509449.db2.gz YBGAVXGQJNWNSL-VXGBXAGGSA-N 0 1 262.265 0.942 20 5 CCBDMN O=C(O[C@@H]1CCN(C2CCC2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869538937 848067584 /nfs/dbraw/zinc/06/75/84/848067584.db2.gz SNDCKZUDMJEKNK-OPRDCNLKSA-N 0 1 268.269 0.348 20 5 CCBDMN C[C@H](O)[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000717286188 848217003 /nfs/dbraw/zinc/21/70/03/848217003.db2.gz BPJSYENQEJFUJS-AUTRQRHGSA-N 0 1 254.286 0.987 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001117998127 856131436 /nfs/dbraw/zinc/13/14/36/856131436.db2.gz SVCUUQLVNQHQCH-DBIOUOCHSA-N 0 1 254.286 0.679 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC001324347607 912790739 /nfs/dbraw/zinc/79/07/39/912790739.db2.gz AARKRISHNJAQLR-SSDOTTSWSA-N 0 1 290.283 0.339 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3nc[nH]c3C2)n1 ZINC001324676934 912977326 /nfs/dbraw/zinc/97/73/26/912977326.db2.gz PEUPQBBNJJVQAU-SSDOTTSWSA-N 0 1 290.283 0.339 20 5 CCBDMN Cc1cnc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001483733100 895936299 /nfs/dbraw/zinc/93/62/99/895936299.db2.gz SPNHWWKZMNDOOL-NXEZZACHSA-N 0 1 294.311 0.387 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCSC[C@H]2CO)c1[N+](=O)[O-] ZINC001295202159 906696777 /nfs/dbraw/zinc/69/67/77/906696777.db2.gz WNSKOYKPIKOZLI-SSDOTTSWSA-N 0 1 286.313 0.176 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]1CO ZINC001304073113 908141117 /nfs/dbraw/zinc/14/11/17/908141117.db2.gz BFSVTFCSRZYUIS-MRVPVSSYSA-N 0 1 252.226 0.507 20 5 CCBDMN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC001307682820 908332090 /nfs/dbraw/zinc/33/20/90/908332090.db2.gz MDAQTGTXWNNTTG-ZJUUUORDSA-N 0 1 281.316 0.333 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC001319527046 910186823 /nfs/dbraw/zinc/18/68/23/910186823.db2.gz JBGUOGCHHMBICA-SSDOTTSWSA-N 0 1 254.246 0.081 20 5 CCBDMN CC(=O)N1CCC(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001319700162 910262538 /nfs/dbraw/zinc/26/25/38/910262538.db2.gz BBDKDJPWABBJDF-UHFFFAOYSA-N 0 1 295.299 0.306 20 5 CCBDMN O=C(N[C@H](CO)Cc1ccncc1)c1n[nH]cc1[N+](=O)[O-] ZINC001321053884 911048041 /nfs/dbraw/zinc/04/80/41/911048041.db2.gz XABGAINTKZGZDY-VIFPVBQESA-N 0 1 291.267 0.046 20 5 CCBDMN CC(=O)N1CCC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001322458935 911815172 /nfs/dbraw/zinc/81/51/72/911815172.db2.gz FCNRFMUEHWPBCQ-VIFPVBQESA-N 0 1 295.299 0.306 20 5 CCBDMN O=C(C[C@@H]1COCCN1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331942738 917739250 /nfs/dbraw/zinc/73/92/50/917739250.db2.gz FMIOZEHZSHAHEG-GFCCVEGCSA-N 0 1 291.307 0.816 20 5 CCBDMN O=c1[nH]ccc(N2CC[C@H](c3nc[nH]n3)C2)c1[N+](=O)[O-] ZINC001331946525 917743157 /nfs/dbraw/zinc/74/31/57/917743157.db2.gz RKZXDUUTCIFFLE-ZETCQYMHSA-N 0 1 276.256 0.807 20 5 CCBDMN O=C(O[C@@H]1CCOC2(CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001344131298 923559884 /nfs/dbraw/zinc/55/98/84/923559884.db2.gz NTOGRPBLXKFFDO-GMTAPVOTSA-N 0 1 285.296 0.923 20 5 CCBDMN COCc1nc(CNC(=O)CCC(C)(C)[N+](=O)[O-])n[nH]1 ZINC001347841824 924549893 /nfs/dbraw/zinc/54/98/93/924549893.db2.gz JFVVQGNTYBLZFB-UHFFFAOYSA-N 0 1 285.304 0.403 20 5 CCBDMN COCc1nnc(CNC(=O)CCC(C)(C)[N+](=O)[O-])[nH]1 ZINC001347841824 924549897 /nfs/dbraw/zinc/54/98/97/924549897.db2.gz JFVVQGNTYBLZFB-UHFFFAOYSA-N 0 1 285.304 0.403 20 5 CCBDMN C/C(=C/C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001355592127 926290227 /nfs/dbraw/zinc/29/02/27/926290227.db2.gz PMSHHOHZOSZOQN-PGQSYZCXSA-N 0 1 295.339 0.583 20 5 CCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCC1CC1 ZINC001356051932 926339886 /nfs/dbraw/zinc/33/98/86/926339886.db2.gz ZYTMYCJEROPGBB-VXGBXAGGSA-N 0 1 297.355 0.807 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nnc2ccccn21 ZINC001357937714 926611576 /nfs/dbraw/zinc/61/15/76/926611576.db2.gz CZSFWVTUGGXMJZ-IWSPIJDZSA-N 0 1 275.268 0.572 20 5 CCBDMN Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2nc[nH]n2)n1 ZINC001450097542 931230314 /nfs/dbraw/zinc/23/03/14/931230314.db2.gz DJNKTKDLNYKXHL-UHFFFAOYSA-N 0 1 276.256 0.389 20 5 CCBDMN COC(=O)CC[N@@H+](CC(=O)[O-])Cc1cccnc1[N+](=O)[O-] ZINC001604317249 972975354 /nfs/dbraw/zinc/97/53/54/972975354.db2.gz HWPGBCDXFYSQSP-UHFFFAOYSA-N 0 1 297.267 0.440 20 5 CCBDMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001599878688 989454616 /nfs/dbraw/zinc/45/46/16/989454616.db2.gz DROSXWSWSGLUOF-NXEZZACHSA-N 0 1 282.300 0.976 20 5 CCBDMN C[N@@H+](CCO)CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001598496526 992372548 /nfs/dbraw/zinc/37/25/48/992372548.db2.gz PCUARMIENAIZQS-UHFFFAOYSA-N 0 1 284.272 0.024 20 5 CCBDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC001594167392 998645228 /nfs/dbraw/zinc/64/52/28/998645228.db2.gz PHWUIGOWWICSRY-YUMQZZPRSA-N 0 1 254.246 0.544 20 5 CCBDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC001594167392 998645232 /nfs/dbraw/zinc/64/52/32/998645232.db2.gz PHWUIGOWWICSRY-YUMQZZPRSA-N 0 1 254.246 0.544 20 5 CCBDMN COCCn1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000337568956 214162698 /nfs/dbraw/zinc/16/26/98/214162698.db2.gz YDCXQQQPSXJCNL-UHFFFAOYSA-N 0 1 294.271 0.091 20 5 CCBDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600440766 361962264 /nfs/dbraw/zinc/96/22/64/361962264.db2.gz KHZFEOATKLCOHJ-JVZYCSMKSA-N 0 1 268.273 0.860 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCNC[C@@H]1C ZINC000125610351 187193003 /nfs/dbraw/zinc/19/30/03/187193003.db2.gz DZUYCSOYCWSZHC-VIFPVBQESA-N 0 1 281.316 0.310 20 5 CCBDMN CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000098117373 349653047 /nfs/dbraw/zinc/65/30/47/349653047.db2.gz KKLYLWRTNRNVKH-UHFFFAOYSA-N 0 1 279.343 0.496 20 5 CCBDMN CC[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)NC ZINC000450938288 529570106 /nfs/dbraw/zinc/57/01/06/529570106.db2.gz ISUYQXINPDEWSS-MRVPVSSYSA-N 0 1 277.284 0.830 20 5 CCBDMN O=C(NCC1COC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600571186 362010238 /nfs/dbraw/zinc/01/02/38/362010238.db2.gz NDXCKRSMOCWKDA-UHFFFAOYSA-N 0 1 276.252 0.847 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000600808807 362066159 /nfs/dbraw/zinc/06/61/59/362066159.db2.gz RNZMZMKOJFQBAX-JTQLQIEISA-N 0 1 295.295 0.097 20 5 CCBDMN O=[N+]([O-])c1cnc(NC[C@@H]2COCCN2)c(F)c1 ZINC000600953952 362099175 /nfs/dbraw/zinc/09/91/75/362099175.db2.gz HTYVFOBGOCPEHT-SSDOTTSWSA-N 0 1 256.237 0.529 20 5 CCBDMN CC[C@@H](C)[C@@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000305753131 201795018 /nfs/dbraw/zinc/79/50/18/201795018.db2.gz UGNAPVZRVSIYAF-HQJQHLMTSA-N 0 1 270.289 0.845 20 5 CCBDMN C[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CNCCO1 ZINC000602441880 362620128 /nfs/dbraw/zinc/62/01/28/362620128.db2.gz ZUOPTNNGRZXAFN-CYBMUJFWSA-N 0 1 279.296 0.590 20 5 CCBDMN CC(C)[C@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000602525471 362656491 /nfs/dbraw/zinc/65/64/91/362656491.db2.gz BHTVZHNZDBJEDZ-SNVBAGLBSA-N 0 1 266.301 0.993 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCNC[C@@H]2C(C)C)n1 ZINC000602527014 362659034 /nfs/dbraw/zinc/65/90/34/362659034.db2.gz HVNKWBZCCQKBQR-SNVBAGLBSA-N 0 1 295.343 0.881 20 5 CCBDMN CC(C)N(Cc1cn(C)nc1[N+](=O)[O-])C[C@@H](C)O ZINC000602774831 362794928 /nfs/dbraw/zinc/79/49/28/362794928.db2.gz BYHRQYBPQZTHSP-SECBINFHSA-N 0 1 256.306 0.920 20 5 CCBDMN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000167228929 136844717 /nfs/dbraw/zinc/84/47/17/136844717.db2.gz UTZRKHDFCXQHRG-ZANVPECISA-N 0 1 293.323 0.896 20 5 CCBDMN C[C@@](O)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000343490199 137138234 /nfs/dbraw/zinc/13/82/34/137138234.db2.gz DVWWEDYEQQCCFK-SNVBAGLBSA-N 0 1 254.246 0.209 20 5 CCBDMN Cc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])on1 ZINC000343325963 137128485 /nfs/dbraw/zinc/12/84/85/137128485.db2.gz VCCOFMGIRPGEGL-UHFFFAOYSA-N 0 1 251.202 0.544 20 5 CCBDMN C[C@@H]1CCN(C)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343414281 137133200 /nfs/dbraw/zinc/13/32/00/137133200.db2.gz UASFSINEESMDCS-MRVPVSSYSA-N 0 1 267.289 0.484 20 5 CCBDMN O=C(CNCc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000037668617 348198273 /nfs/dbraw/zinc/19/82/73/348198273.db2.gz QNXAWIQHVKUDTI-UHFFFAOYSA-N 0 1 279.296 0.543 20 5 CCBDMN COc1cc(CN2C[C@H](O)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602896100 362871046 /nfs/dbraw/zinc/87/10/46/362871046.db2.gz CPBVBMGSNGUFQV-BXUZGUMPSA-N 0 1 296.323 0.921 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCSC[C@@H]2CCO)n1 ZINC000347392230 137334274 /nfs/dbraw/zinc/33/42/74/137334274.db2.gz RMVKKVFAMIPBDM-JTQLQIEISA-N 0 1 286.357 0.591 20 5 CCBDMN CC(C)(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000057256074 348604749 /nfs/dbraw/zinc/60/47/49/348604749.db2.gz ALPBIVKNOXZXGF-UHFFFAOYSA-N 0 1 291.267 0.465 20 5 CCBDMN CN1CCN(C)[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000068806485 348821932 /nfs/dbraw/zinc/82/19/32/348821932.db2.gz JEVOXKICTUHMQH-LLVKDONJSA-N 0 1 265.317 0.648 20 5 CCBDMN CN1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000072841176 348935649 /nfs/dbraw/zinc/93/56/49/348935649.db2.gz GRLQFJAKEYDAGH-UHFFFAOYSA-N 0 1 252.274 0.701 20 5 CCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1nc[nH]n1 ZINC000080580880 349219295 /nfs/dbraw/zinc/21/92/95/349219295.db2.gz QINIKSMPCIJTRR-UHFFFAOYSA-N 0 1 275.268 0.614 20 5 CCBDMN CC(C)C(=O)NCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000127833828 350178820 /nfs/dbraw/zinc/17/88/20/350178820.db2.gz HCGMEQCBUSKIMX-UHFFFAOYSA-N 0 1 283.288 0.210 20 5 CCBDMN CCc1nn(C)c(NCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000091561299 180191888 /nfs/dbraw/zinc/19/18/88/180191888.db2.gz PFVGHTPMJRFINJ-UHFFFAOYSA-N 0 1 265.277 0.663 20 5 CCBDMN COCCS(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000110095852 186285218 /nfs/dbraw/zinc/28/52/18/186285218.db2.gz IBZCIFWUUBYRAO-UHFFFAOYSA-N 0 1 260.271 0.983 20 5 CCBDMN Cc1nc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])no1 ZINC000173396993 351037879 /nfs/dbraw/zinc/03/78/79/351037879.db2.gz LGOXYMIHPGCSKX-UHFFFAOYSA-N 0 1 298.280 0.765 20 5 CCBDMN CC(C)(O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174838202 351106890 /nfs/dbraw/zinc/10/68/90/351106890.db2.gz ILFALTRXELQBAJ-UHFFFAOYSA-N 0 1 278.268 0.972 20 5 CCBDMN CNC(=O)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176239261 351163828 /nfs/dbraw/zinc/16/38/28/351163828.db2.gz LEYACFHKERFUKK-JTQLQIEISA-N 0 1 281.316 0.249 20 5 CCBDMN CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000176388879 351172702 /nfs/dbraw/zinc/17/27/02/351172702.db2.gz NRRIZSGPYVXUIP-UHFFFAOYSA-N 0 1 268.273 0.329 20 5 CCBDMN C[NH+](C)CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188041772 351569181 /nfs/dbraw/zinc/56/91/81/351569181.db2.gz VICBCEURYRMFJJ-UHFFFAOYSA-N 0 1 268.273 0.377 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1ccccc1[N+](=O)[O-] ZINC000236403140 352194157 /nfs/dbraw/zinc/19/41/57/352194157.db2.gz ZBSUONQMVQDHLX-SECBINFHSA-N 0 1 265.269 0.313 20 5 CCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1COCCN1 ZINC000236398520 352194259 /nfs/dbraw/zinc/19/42/59/352194259.db2.gz WESMYJHVEKWBBW-LLVKDONJSA-N 0 1 279.296 0.242 20 5 CCBDMN COC(=O)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000249130961 352479379 /nfs/dbraw/zinc/47/93/79/352479379.db2.gz UVJNDBNZPKCPJV-GHMZBOCLSA-N 0 1 296.327 0.922 20 5 CCBDMN CNC(=O)[C@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272468792 353067519 /nfs/dbraw/zinc/06/75/19/353067519.db2.gz DIZBARDYGNIEJF-LLVKDONJSA-N 0 1 293.279 0.651 20 5 CCBDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000155493885 188209973 /nfs/dbraw/zinc/20/99/73/188209973.db2.gz CFADEZKTFCVVMB-UWVGGRQHSA-N 0 1 281.316 0.342 20 5 CCBDMN O=[N+]([O-])c1cccnc1NCCN1CCC(O)CC1 ZINC000296160900 353934350 /nfs/dbraw/zinc/93/43/50/353934350.db2.gz YRPSNKFHFOZTAZ-UHFFFAOYSA-N 0 1 266.301 0.858 20 5 CCBDMN O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])o1 ZINC000296541044 353951081 /nfs/dbraw/zinc/95/10/81/353951081.db2.gz XTCPDLKLDWAITH-SNVBAGLBSA-N 0 1 297.311 0.764 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CC(=O)NC(C)C)c1[N+](=O)[O-] ZINC000299492919 354020873 /nfs/dbraw/zinc/02/08/73/354020873.db2.gz AKZADFPWULPQRS-UHFFFAOYSA-N 0 1 283.288 0.223 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2ncon2)c1[N+](=O)[O-] ZINC000557001989 291019716 /nfs/dbraw/zinc/01/97/16/291019716.db2.gz JDUXTCYHSXVCTM-ZETCQYMHSA-N 0 1 292.255 0.987 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC(OC)C2)c1[N+](=O)[O-] ZINC000331567370 354608524 /nfs/dbraw/zinc/60/85/24/354608524.db2.gz RJPBQPPQRJQNQL-UHFFFAOYSA-N 0 1 268.273 0.741 20 5 CCBDMN O=c1[nH]nc2n1CCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000332570816 354699131 /nfs/dbraw/zinc/69/91/31/354699131.db2.gz DGCTWJKDJPXUDY-UHFFFAOYSA-N 0 1 275.268 0.908 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1NCCCN1CCC[C@@H]1C(N)=O ZINC000341105196 355606749 /nfs/dbraw/zinc/60/67/49/355606749.db2.gz UFRQKKQOTSNOAF-SECBINFHSA-N 0 1 296.331 0.080 20 5 CCBDMN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1COC[C@H]1O ZINC000352802619 356084013 /nfs/dbraw/zinc/08/40/13/356084013.db2.gz MFGNOFRGNDFMSB-CHWSQXEVSA-N 0 1 282.296 0.665 20 5 CCBDMN O=C(N[C@H]1CNC(=O)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354143818 356352717 /nfs/dbraw/zinc/35/27/17/356352717.db2.gz QCLISWBAKCJYGN-ZCFIWIBFSA-N 0 1 289.251 0.089 20 5 CCBDMN C[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000355112022 356579954 /nfs/dbraw/zinc/57/99/54/356579954.db2.gz MKJYOKMZRKDOSF-RQJHMYQMSA-N 0 1 254.246 0.615 20 5 CCBDMN Cc1n[nH]c(C(=O)N[C@@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000359392992 356813408 /nfs/dbraw/zinc/81/34/08/356813408.db2.gz IYQSOLMAAZMMPX-SSDOTTSWSA-N 0 1 290.283 0.637 20 5 CCBDMN COC(=O)Cn1ncc(Nc2ncc([N+](=O)[O-])cn2)c1C ZINC000359991884 356932003 /nfs/dbraw/zinc/93/20/03/356932003.db2.gz IPMFWOVEKJYRAT-UHFFFAOYSA-N 0 1 292.255 0.806 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCO[C@H]1C1CC1 ZINC000375435361 357407844 /nfs/dbraw/zinc/40/78/44/357407844.db2.gz HKNXGFDNOCHUOS-ONGXEEELSA-N 0 1 266.301 0.985 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](O)C[C@H]2C)c1[N+](=O)[O-] ZINC000408441090 358096281 /nfs/dbraw/zinc/09/62/81/358096281.db2.gz GUCDRTHIKVGRHD-RQJHMYQMSA-N 0 1 268.273 0.476 20 5 CCBDMN Cc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cn2C)n[nH]1 ZINC000580968280 359116536 /nfs/dbraw/zinc/11/65/36/359116536.db2.gz IWINVSXPBXQYJL-LURJTMIESA-N 0 1 278.272 0.851 20 5 CCBDMN C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000582419536 359144908 /nfs/dbraw/zinc/14/49/08/359144908.db2.gz PXDRYVZIMLROQV-QMMMGPOBSA-N 0 1 280.284 0.519 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@H]1CO ZINC000590178346 359428425 /nfs/dbraw/zinc/42/84/25/359428425.db2.gz FCXHZQGZNIPEAD-SNVBAGLBSA-N 0 1 268.269 0.494 20 5 CCBDMN C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000590402347 359454084 /nfs/dbraw/zinc/45/40/84/359454084.db2.gz CUJUKROXXGXGCA-GZMMTYOYSA-N 0 1 294.311 0.860 20 5 CCBDMN C[C@@H](O)CN1CCN(c2ccc(N)c([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000590579960 359489075 /nfs/dbraw/zinc/48/90/75/359489075.db2.gz ADIOVIVXNJPBDG-VHSXEESVSA-N 0 1 295.343 0.463 20 5 CCBDMN Cc1nc(NCCCc2nc[nH]n2)ncc1[N+](=O)[O-] ZINC000296848864 200014706 /nfs/dbraw/zinc/01/47/06/200014706.db2.gz UFTUUIIWBVZNMU-UHFFFAOYSA-N 0 1 263.261 0.856 20 5 CCBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H]1CCC[NH2+]C1 ZINC000563106772 291193769 /nfs/dbraw/zinc/19/37/69/291193769.db2.gz BMUKDKLACLUODA-BDAKNGLRSA-N 0 1 294.311 0.813 20 5 CCBDMN CCC[C@@H]1CNCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000563109803 291194274 /nfs/dbraw/zinc/19/42/74/291194274.db2.gz XYGAUEHZAKLWLN-SECBINFHSA-N 0 1 281.316 0.542 20 5 CCBDMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563280044 291211885 /nfs/dbraw/zinc/21/18/85/291211885.db2.gz JRKTUEXLDQODGL-VHSXEESVSA-N 0 1 298.295 0.739 20 5 CCBDMN C[C@@H]1[C@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)CN1C ZINC000593187602 360051853 /nfs/dbraw/zinc/05/18/53/360051853.db2.gz OUJIDFCPZVMJHQ-AEJSXWLSSA-N 0 1 296.331 0.126 20 5 CCBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000593288564 360060837 /nfs/dbraw/zinc/06/08/37/360060837.db2.gz MQRTVEYZFPUHPG-QMMMGPOBSA-N 0 1 256.262 0.586 20 5 CCBDMN NC(=O)[C@]1(NCCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000594034580 360239560 /nfs/dbraw/zinc/23/95/60/360239560.db2.gz DLWJWQOHKOVGTO-ZDUSSCGKSA-N 0 1 279.296 0.371 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C[C@H](C)O)C2CC2)c1[N+](=O)[O-] ZINC000594416016 360297070 /nfs/dbraw/zinc/29/70/70/360297070.db2.gz UFIRTDONEGUDLQ-ZETCQYMHSA-N 0 1 282.300 0.866 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H](O)C1CC1 ZINC000594761716 360377726 /nfs/dbraw/zinc/37/77/26/360377726.db2.gz IIJFTZHEIVSHKJ-SECBINFHSA-N 0 1 287.297 0.039 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1=CCOCC1 ZINC000594776758 360380557 /nfs/dbraw/zinc/38/05/57/360380557.db2.gz FBTRUZYFPVUXSD-UHFFFAOYSA-N 0 1 299.308 0.615 20 5 CCBDMN C[C@H]1C[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CO1 ZINC000594798186 360385925 /nfs/dbraw/zinc/38/59/25/360385925.db2.gz ZWSYFMCBQMZPKA-JGVFFNPUSA-N 0 1 287.297 0.446 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595755979 360640333 /nfs/dbraw/zinc/64/03/33/360640333.db2.gz ALBJDQJSYHCIRT-GXSJLCMTSA-N 0 1 252.274 0.248 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CCOC2)c1[N+](=O)[O-] ZINC000597724893 361211575 /nfs/dbraw/zinc/21/15/75/361211575.db2.gz UGBFHBXAURRRHP-UHFFFAOYSA-N 0 1 254.246 0.871 20 5 CCBDMN CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597947377 361288987 /nfs/dbraw/zinc/28/89/87/361288987.db2.gz XFGDFSRMGBYYMA-QMMMGPOBSA-N 0 1 267.289 0.484 20 5 CCBDMN [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000598668508 361477170 /nfs/dbraw/zinc/47/71/70/361477170.db2.gz VYCLMIMMBJUJRT-AMIZOPFISA-N 0 1 292.295 0.649 20 5 CCBDMN O=[N+]([O-])c1cccnc1NCCN1CC[C@@H](O)C1 ZINC000599176027 361600511 /nfs/dbraw/zinc/60/05/11/361600511.db2.gz OTHJJZFZZVJLEM-SECBINFHSA-N 0 1 252.274 0.468 20 5 CCBDMN O=[N+]([O-])c1ncccc1NCCN1CC[C@H](O)C1 ZINC000599199230 361608416 /nfs/dbraw/zinc/60/84/16/361608416.db2.gz HNPNSTBFQLHAFZ-VIFPVBQESA-N 0 1 252.274 0.468 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(N2CCn3c(n[nH]c3=O)C2)n1 ZINC000613430266 364247687 /nfs/dbraw/zinc/24/76/87/364247687.db2.gz HPSDLTSVCLIYID-UHFFFAOYSA-N 0 1 276.256 0.616 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC(F)(F)C[C@@H]2CO)c1[N+](=O)[O-] ZINC000614881107 364767533 /nfs/dbraw/zinc/76/75/33/364767533.db2.gz XJLRKZKLKVMZMX-ZCFIWIBFSA-N 0 1 290.226 0.468 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCSC2(CCOCC2)C1 ZINC000372153079 296073372 /nfs/dbraw/zinc/07/33/72/296073372.db2.gz QJVTYTSFWOYAQO-NXEZZACHSA-N 0 1 286.353 0.776 20 5 CCBDMN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1nn[nH]n1 ZINC000615702436 365056198 /nfs/dbraw/zinc/05/61/98/365056198.db2.gz SOGWMGBRKWJMLP-UHFFFAOYSA-N 0 1 298.284 0.124 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](O)CC(F)(F)C2)c1[N+](=O)[O-] ZINC000615908664 365126380 /nfs/dbraw/zinc/12/63/80/365126380.db2.gz UIXMSQRUZGQGJJ-ZCFIWIBFSA-N 0 1 290.226 0.468 20 5 CCBDMN CNC(=O)[C@@H]1CCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000330591939 203012633 /nfs/dbraw/zinc/01/26/33/203012633.db2.gz XZYWEESEDPPSSM-RKDXNWHRSA-N 0 1 281.316 0.333 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@H](C)C[S@](C)=O)c1[N+](=O)[O-] ZINC000330846590 203307385 /nfs/dbraw/zinc/30/73/85/203307385.db2.gz OUGGVBRKNMBBEL-YIVBRQOJSA-N 0 1 288.329 0.465 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](C)C[S@](C)=O)c1[N+](=O)[O-] ZINC000330846589 203307832 /nfs/dbraw/zinc/30/78/32/203307832.db2.gz OUGGVBRKNMBBEL-PVDFSEMESA-N 0 1 288.329 0.465 20 5 CCBDMN CCO[C@@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1OC ZINC000331797578 204174451 /nfs/dbraw/zinc/17/44/51/204174451.db2.gz RFASTTCICZHZMI-IONOHQLYSA-N 0 1 284.272 0.240 20 5 CCBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)[C@H](CO)C1 ZINC000459695689 249054255 /nfs/dbraw/zinc/05/42/55/249054255.db2.gz LQUHXYAKBIHGKL-SUZMYJTESA-N 0 1 266.297 0.941 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N=c1ncn(C)[nH]1 ZINC000517227140 249209718 /nfs/dbraw/zinc/20/97/18/249209718.db2.gz AXJODIAZGQEGSC-UHFFFAOYSA-N 0 1 261.241 0.706 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC(=O)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000296231916 285163368 /nfs/dbraw/zinc/16/33/68/285163368.db2.gz POQASVHIRBMYKR-ZETCQYMHSA-N 0 1 295.299 0.402 20 5 CCBDMN CCN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000288619119 197128528 /nfs/dbraw/zinc/12/85/28/197128528.db2.gz XQAXOKYWBYBUIK-JTQLQIEISA-N 0 1 281.316 0.344 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCNC(=O)C2(C)C)c1[N+](=O)[O-] ZINC000188404250 388926910 /nfs/dbraw/zinc/92/69/10/388926910.db2.gz RCIFRLVTBMMYOC-UHFFFAOYSA-N 0 1 295.299 0.231 20 5 CCBDMN COC(=O)COc1ccc(CN(C)CCO)cc1[N+](=O)[O-] ZINC000355596218 389099910 /nfs/dbraw/zinc/09/99/10/389099910.db2.gz CHVSBWRWDJNCTK-UHFFFAOYSA-N 0 1 298.295 0.571 20 5 CCBDMN C[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](C)CN1C ZINC000357446348 389134894 /nfs/dbraw/zinc/13/48/94/389134894.db2.gz BZWVJQBKDUUUGK-RKDXNWHRSA-N 0 1 293.327 0.618 20 5 CCBDMN O=C([C@@H]1CNCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237956908 389196884 /nfs/dbraw/zinc/19/68/84/389196884.db2.gz HALRSYYWQGXLEX-ZDUSSCGKSA-N 0 1 291.307 0.468 20 5 CCBDMN O=C1NC[C@@H]2[C@H]1CCCN2CCn1ccc([N+](=O)[O-])n1 ZINC000366871773 389311426 /nfs/dbraw/zinc/31/14/26/389311426.db2.gz VPKKIEIJRICJQT-NXEZZACHSA-N 0 1 279.300 0.002 20 5 CCBDMN C[C@@H](O)CN1CCN(c2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000264296533 389318696 /nfs/dbraw/zinc/31/86/96/389318696.db2.gz CKWGAVILLVGIMH-VHSXEESVSA-N 0 1 283.332 0.220 20 5 CCBDMN C[C@@H](CN1CCN(C)CC1)Nc1c([N+](=O)[O-])ncn1C ZINC000264438646 389328815 /nfs/dbraw/zinc/32/88/15/389328815.db2.gz WENYGMAWQWANNG-JTQLQIEISA-N 0 1 282.348 0.376 20 5 CCBDMN C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)N1 ZINC000153232235 389297120 /nfs/dbraw/zinc/29/71/20/389297120.db2.gz VNXHCHXANCMUFC-DTORHVGOSA-N 0 1 267.289 0.000 20 5 CCBDMN COCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000331126387 389299779 /nfs/dbraw/zinc/29/97/79/389299779.db2.gz BQTDHJSBCSYQII-SECBINFHSA-N 0 1 298.299 0.504 20 5 CCBDMN CCCCN(CC(N)=O)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264144944 389309004 /nfs/dbraw/zinc/30/90/04/389309004.db2.gz GYJLXQBWXNNGSE-UHFFFAOYSA-N 0 1 283.288 0.354 20 5 CCBDMN O=C(NCC[NH+]1CCCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159869403 389375350 /nfs/dbraw/zinc/37/53/50/389375350.db2.gz BENDEPYHZMCOGS-UHFFFAOYSA-N 0 1 281.316 0.924 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CCn2cccn2)c1[N+](=O)[O-] ZINC000264695716 389346871 /nfs/dbraw/zinc/34/68/71/389346871.db2.gz CASHFODIVWZBMX-UHFFFAOYSA-N 0 1 278.272 0.595 20 5 CCBDMN NC(=O)[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272484497 389468303 /nfs/dbraw/zinc/46/83/03/389468303.db2.gz GJLICTGIGDMAMS-ZETCQYMHSA-N 0 1 279.252 0.248 20 5 CCBDMN O=C(N[C@H]1CCCc2c[nH]nc21)c1n[nH]cc1[N+](=O)[O-] ZINC000270860063 389435896 /nfs/dbraw/zinc/43/58/96/389435896.db2.gz LSOTUHGQVUMOCA-ZETCQYMHSA-N 0 1 276.256 0.848 20 5 CCBDMN CNC(=O)[C@@]1(C)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000281751048 389623649 /nfs/dbraw/zinc/62/36/49/389623649.db2.gz JVHUVTVHAZIJMG-LBPRGKRZSA-N 0 1 295.299 0.225 20 5 CCBDMN C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000375143227 389643143 /nfs/dbraw/zinc/64/31/43/389643143.db2.gz UZIFBKREYNUGKF-PRULPYPASA-N 0 1 268.313 0.973 20 5 CCBDMN CN1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000351973410 389727921 /nfs/dbraw/zinc/72/79/21/389727921.db2.gz BXLNNMHZUZEZHW-UHFFFAOYSA-N 0 1 265.225 0.172 20 5 CCBDMN CC(C)[C@H](NCCn1cc([N+](=O)[O-])cn1)c1nncn1C ZINC000352457723 389813722 /nfs/dbraw/zinc/81/37/22/389813722.db2.gz DZAKDRHNKJOFOU-NSHDSACASA-N 0 1 293.331 0.907 20 5 CCBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1c([N+](=O)[O-])ncn1C ZINC000408069000 389824089 /nfs/dbraw/zinc/82/40/89/389824089.db2.gz ZSEHYTYQZZOYAQ-DTWKUNHWSA-N 0 1 253.306 0.857 20 5 CCBDMN C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)CN1C ZINC000408219064 389835828 /nfs/dbraw/zinc/83/58/28/389835828.db2.gz LEJKJVBJFPRNOR-IUCAKERBSA-N 0 1 251.290 0.914 20 5 CCBDMN COc1cccc(C(=O)N(C)Cc2nnc[nH]2)c1[N+](=O)[O-] ZINC000444255526 389897771 /nfs/dbraw/zinc/89/77/71/389897771.db2.gz BFCKBVIDJSGMEL-UHFFFAOYSA-N 0 1 291.267 0.994 20 5 CCBDMN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000447247531 389949152 /nfs/dbraw/zinc/94/91/52/389949152.db2.gz ITMYILLFRAPRMC-LURJTMIESA-N 0 1 279.343 0.672 20 5 CCBDMN C[C@@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420440201 390004070 /nfs/dbraw/zinc/00/40/70/390004070.db2.gz NHFXFKACBYLZRS-RITPCOANSA-N 0 1 279.343 0.670 20 5 CCBDMN COC(=O)C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000487186511 390084933 /nfs/dbraw/zinc/08/49/33/390084933.db2.gz LGFVSGSCWKDHPX-UHFFFAOYSA-N 0 1 294.263 0.983 20 5 CCBDMN CC[C@H]1CN(C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000579152122 390148041 /nfs/dbraw/zinc/14/80/41/390148041.db2.gz LTGFYPJLCHPWJJ-JTQLQIEISA-N 0 1 281.316 0.344 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@]2(C)CO)c1[N+](=O)[O-] ZINC000545406682 390327721 /nfs/dbraw/zinc/32/77/21/390327721.db2.gz PMSUGKREJMLJJL-LLVKDONJSA-N 0 1 268.273 0.613 20 5 CCBDMN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000497049333 390408787 /nfs/dbraw/zinc/40/87/87/390408787.db2.gz XOIJNJJVVSSXJF-UKKRHICBSA-N 0 1 299.327 0.635 20 5 CCBDMN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000497061935 390411269 /nfs/dbraw/zinc/41/12/69/390411269.db2.gz HCBKHTCYLJTQIA-OPRDCNLKSA-N 0 1 299.327 0.777 20 5 CCBDMN Cc1c(CN(C)CCn2ccc([N+](=O)[O-])n2)cnn1C ZINC000567557028 390703636 /nfs/dbraw/zinc/70/36/36/390703636.db2.gz SZRGKOCMCMKVII-UHFFFAOYSA-N 0 1 278.316 0.965 20 5 CCBDMN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CO ZINC000248995191 131120007 /nfs/dbraw/zinc/12/00/07/131120007.db2.gz XWQDSPAOKRALNN-RNCFNFMXSA-N 0 1 293.323 0.896 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(O)CC1 ZINC000269286040 132149878 /nfs/dbraw/zinc/14/98/78/132149878.db2.gz NPJVAQKBZOLUQL-UHFFFAOYSA-N 0 1 266.253 0.897 20 5 CCBDMN CNC(=O)CCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269284708 132149962 /nfs/dbraw/zinc/14/99/62/132149962.db2.gz MYHLVZJENSFHDD-UHFFFAOYSA-N 0 1 281.268 0.509 20 5 CCBDMN COCCN1CCC[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000132275231 397413830 /nfs/dbraw/zinc/41/38/30/397413830.db2.gz FTBHIYPLALQFQB-SECBINFHSA-N 0 1 297.315 0.159 20 5 CCBDMN O=C(N[C@@H](CO)CC(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000356449532 144004204 /nfs/dbraw/zinc/00/42/04/144004204.db2.gz LAZJWYSQABKTIO-SCSAIBSYSA-N 0 1 282.178 0.361 20 5 CCBDMN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CCCN1C ZINC000356730159 144027758 /nfs/dbraw/zinc/02/77/58/144027758.db2.gz HVLICILZGWPNDI-RKDXNWHRSA-N 0 1 281.316 0.541 20 5 CCBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000356735150 144028346 /nfs/dbraw/zinc/02/83/46/144028346.db2.gz WOIRLGUOSBOCBB-JTQLQIEISA-N 0 1 279.252 0.261 20 5 CCBDMN Nc1ncncc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356776639 144032394 /nfs/dbraw/zinc/03/23/94/144032394.db2.gz PAXMRXMLWROVSC-UHFFFAOYSA-N 0 1 289.251 0.433 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000356901960 144042521 /nfs/dbraw/zinc/04/25/21/144042521.db2.gz NICWWZDZNMNFGR-IUCAKERBSA-N 0 1 281.316 0.791 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000356901958 144042752 /nfs/dbraw/zinc/04/27/52/144042752.db2.gz NICWWZDZNMNFGR-BDAKNGLRSA-N 0 1 281.316 0.791 20 5 CCBDMN NC(=O)c1ccnc(N[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000357190452 144068159 /nfs/dbraw/zinc/06/81/59/144068159.db2.gz QYOBDIDUDFJIIQ-QMMMGPOBSA-N 0 1 291.311 0.737 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1[C@H]1CCCC1=O ZINC000368740493 144242822 /nfs/dbraw/zinc/24/28/22/144242822.db2.gz HXBVTRSXAJSNOI-DBIOUOCHSA-N 0 1 282.296 0.248 20 5 CCBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548947940 286081471 /nfs/dbraw/zinc/08/14/71/286081471.db2.gz VNOWOQIHQFFQNN-SSDOTTSWSA-N 0 1 265.273 0.284 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000552536916 286169187 /nfs/dbraw/zinc/16/91/87/286169187.db2.gz ZNIXBBJFOPBEMA-QMMMGPOBSA-N 0 1 289.295 0.944 20 5 CCBDMN CSc1ccc(C(=O)NCc2nn[nH]n2)cc1[N+](=O)[O-] ZINC000044927425 411632183 /nfs/dbraw/zinc/63/21/83/411632183.db2.gz XDPDSNRXKJJKQK-UHFFFAOYSA-N 0 1 294.296 0.760 20 5 CCBDMN Cc1nccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000038037848 174038880 /nfs/dbraw/zinc/03/88/80/174038880.db2.gz OEJKVPNAZMAEDW-GFCCVEGCSA-N 0 1 292.299 0.040 20 5 CCBDMN CS(=O)(=O)CCNCCOc1ccc([N+](=O)[O-])cc1 ZINC000038079488 174089487 /nfs/dbraw/zinc/08/94/87/174089487.db2.gz RYGBUQSNMLGVLQ-UHFFFAOYSA-N 0 1 288.325 0.608 20 5 CCBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CNCCO1 ZINC000043710318 175103410 /nfs/dbraw/zinc/10/34/10/175103410.db2.gz INASZVUKVKKENN-GFCCVEGCSA-N 0 1 279.296 0.542 20 5 CCBDMN Cc1c(CN2C[C@H](O)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000317447211 260228664 /nfs/dbraw/zinc/22/86/64/260228664.db2.gz NEKFWIFRJSSEIS-AAEUAGOBSA-N 0 1 266.297 0.688 20 5 CCBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000351504291 274339217 /nfs/dbraw/zinc/33/92/17/274339217.db2.gz IUVFHFMINNTHDA-JGVFFNPUSA-N 0 1 266.305 0.326 20 5 CCBDMN CCN1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@H](C)C1=O ZINC000428741909 276383039 /nfs/dbraw/zinc/38/30/39/276383039.db2.gz FUDSDILLAQYGFG-MRVPVSSYSA-N 0 1 295.299 0.319 20 5 CCBDMN CNc1nc(C(=O)N[C@H](C)c2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000455832472 277304100 /nfs/dbraw/zinc/30/41/00/277304100.db2.gz XCLHYEBDVBPFSH-ZCFIWIBFSA-N 0 1 291.271 0.641 20 5 CCBDMN C[C@H](NCCNS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000037177169 278259733 /nfs/dbraw/zinc/25/97/33/278259733.db2.gz XLEVMISSQWCZJN-VIFPVBQESA-N 0 1 287.341 0.795 20 5 CCBDMN NC(=O)[C@]1(NCCOc2ccccc2[N+](=O)[O-])CCOC1 ZINC000572852727 328131209 /nfs/dbraw/zinc/13/12/09/328131209.db2.gz LAGYLTAVYGLVOH-ZDUSSCGKSA-N 0 1 295.295 0.208 20 5 CCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000358174184 534827459 /nfs/dbraw/zinc/82/74/59/534827459.db2.gz XUUYEQSFAXOFPL-SSDOTTSWSA-N 0 1 290.283 0.339 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000340872474 525462361 /nfs/dbraw/zinc/46/23/61/525462361.db2.gz OPZKXFAYWXOSNH-MRVPVSSYSA-N 0 1 268.273 0.877 20 5 CCBDMN CC(C)(O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269189854 535310668 /nfs/dbraw/zinc/31/06/68/535310668.db2.gz NTFYDFPUALYEPU-UHFFFAOYSA-N 0 1 254.242 0.801 20 5 CCBDMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1c[nH]nn1 ZINC000789927898 581164792 /nfs/dbraw/zinc/16/47/92/581164792.db2.gz UDORKGRBIRLCII-UHFFFAOYSA-N 0 1 263.213 0.730 20 5 CCBDMN O=[N+]([O-])c1cccnc1N1CCN(C[C@H](O)C2CC2)CC1 ZINC000734142693 581544423 /nfs/dbraw/zinc/54/44/23/581544423.db2.gz XYRHRXOPWQILJM-ZDUSSCGKSA-N 0 1 292.339 0.883 20 5 CCBDMN CC1(C)OCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CO1 ZINC000756708698 581676045 /nfs/dbraw/zinc/67/60/45/581676045.db2.gz GWTKBFOAJGNXCY-UHFFFAOYSA-N 0 1 270.245 0.199 20 5 CCBDMN CCc1cc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)n[nH]1 ZINC000732804485 581849794 /nfs/dbraw/zinc/84/97/94/581849794.db2.gz LJPJHYXXFQSUGI-UHFFFAOYSA-N 0 1 290.283 0.986 20 5 CCBDMN CC(C)(C)[S@](=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000764231524 582038665 /nfs/dbraw/zinc/03/86/65/582038665.db2.gz AWIOPDKYCFDDTO-LJQANCHMSA-N 0 1 288.329 0.595 20 5 CCBDMN CCc1cc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])n[nH]1 ZINC000764236652 582039523 /nfs/dbraw/zinc/03/95/23/582039523.db2.gz NGLYJLDVVLKTEN-UHFFFAOYSA-N 0 1 264.245 0.533 20 5 CCBDMN CCc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])[nH]n1 ZINC000764236652 582039526 /nfs/dbraw/zinc/03/95/26/582039526.db2.gz NGLYJLDVVLKTEN-UHFFFAOYSA-N 0 1 264.245 0.533 20 5 CCBDMN CCOC(=O)[C@@H](CSC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000928284671 615276965 /nfs/dbraw/zinc/27/69/65/615276965.db2.gz MJLFFPMICPRMSA-BWZBUEFSSA-N 0 1 276.314 0.063 20 5 CCBDMN O=C([O-])C[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000819385233 597047940 /nfs/dbraw/zinc/04/79/40/597047940.db2.gz ICFAIPTVEXWKGB-SECBINFHSA-N 0 1 268.273 0.936 20 5 CCBDMN O=C([O-])C[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000819385233 597047945 /nfs/dbraw/zinc/04/79/45/597047945.db2.gz ICFAIPTVEXWKGB-SECBINFHSA-N 0 1 268.273 0.936 20 5 CCBDMN NC(=O)c1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000062133632 597534792 /nfs/dbraw/zinc/53/47/92/597534792.db2.gz VWWLEKKCUFEXLL-SNVBAGLBSA-N 0 1 293.279 0.600 20 5 CCBDMN O=C([O-])[C@]1(F)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000833176055 601448211 /nfs/dbraw/zinc/44/82/11/601448211.db2.gz WDYTUEGLZPORJI-JTQLQIEISA-N 0 1 272.236 0.290 20 5 CCBDMN O=C([O-])[C@]1(F)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000833176055 601448213 /nfs/dbraw/zinc/44/82/13/601448213.db2.gz WDYTUEGLZPORJI-JTQLQIEISA-N 0 1 272.236 0.290 20 5 CCBDMN CC(C)(C)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1O ZINC000839722284 614026546 /nfs/dbraw/zinc/02/65/46/614026546.db2.gz YDRYVTOKLFTMBA-DBIOUOCHSA-N 0 1 270.329 0.907 20 5 CCBDMN CC(C)(C)[S@](=O)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839679315 614045663 /nfs/dbraw/zinc/04/56/63/614045663.db2.gz HLIVBJMDIRTGNN-GMJGCRJXSA-N 0 1 262.331 0.315 20 5 CCBDMN CC(C)CO[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839703902 614173992 /nfs/dbraw/zinc/17/39/92/614173992.db2.gz PZEBFFIIQWPSPC-HBNTYKKESA-N 0 1 256.302 0.925 20 5 CCBDMN CC(C)[C@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000798858381 614194540 /nfs/dbraw/zinc/19/45/40/614194540.db2.gz MSINYBCDLMWNOF-LLVKDONJSA-N 0 1 284.316 0.921 20 5 CCBDMN COc1ccc(CC(=O)NC[C@@H]2CCN2C)cc1[N+](=O)[O-] ZINC000928564824 617241453 /nfs/dbraw/zinc/24/14/53/617241453.db2.gz ZXFXJRYKWKUXGH-NSHDSACASA-N 0 1 293.323 0.966 20 5 CCBDMN CC(C)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973892245 613945497 /nfs/dbraw/zinc/94/54/97/613945497.db2.gz YWJMNFPYCPIURX-UTINFBMNSA-N 0 1 269.301 0.071 20 5 CCBDMN CC(C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1(CO)CCC1 ZINC000848122153 614126169 /nfs/dbraw/zinc/12/61/69/614126169.db2.gz PKMZRJQOKKVUBO-GMTAPVOTSA-N 0 1 270.329 0.955 20 5 CCBDMN CC(C)c1n[nH]c(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000840674914 614319058 /nfs/dbraw/zinc/31/90/58/614319058.db2.gz SAXQOOCVMNFQDA-RNFRBKRXSA-N 0 1 254.246 0.637 20 5 CCBDMN CC(C)c1nc(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 ZINC000840674914 614319062 /nfs/dbraw/zinc/31/90/62/614319062.db2.gz SAXQOOCVMNFQDA-RNFRBKRXSA-N 0 1 254.246 0.637 20 5 CCBDMN CCC(C)(C)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672791 614501911 /nfs/dbraw/zinc/50/19/11/614501911.db2.gz OHVUPNWIALOMBS-IWSPIJDZSA-N 0 1 272.301 0.888 20 5 CCBDMN CCNC(=O)COc1cccc(CNCC[N+](=O)[O-])c1 ZINC000905054903 615052556 /nfs/dbraw/zinc/05/25/56/615052556.db2.gz LAXRGAJACMFXJN-UHFFFAOYSA-N 0 1 281.312 0.568 20 5 CCBDMN CCNC(=O)c1ccc(CNCC[N+](=O)[O-])cc1 ZINC000899869991 615067331 /nfs/dbraw/zinc/06/73/31/615067331.db2.gz CDHDVIFWKPAHLY-UHFFFAOYSA-N 0 1 251.286 0.803 20 5 CCBDMN CCOC1CC2(C[C@H]2NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000874807581 615227212 /nfs/dbraw/zinc/22/72/12/615227212.db2.gz QTMILWXDMXJTHI-SQGHXRTGSA-N 0 1 254.286 0.725 20 5 CCBDMN CCN1CC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000882481681 615244138 /nfs/dbraw/zinc/24/41/38/615244138.db2.gz DPNKBQPENDHMSL-SECBINFHSA-N 0 1 267.289 0.002 20 5 CCBDMN CCOCCCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673197 615245100 /nfs/dbraw/zinc/24/51/00/615245100.db2.gz SOWUQAWRJYZFHX-OPRDCNLKSA-N 0 1 288.300 0.126 20 5 CCBDMN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840420417 615346048 /nfs/dbraw/zinc/34/60/48/615346048.db2.gz FPPUXABHCFANKO-FNCVBFRFSA-N 0 1 258.274 0.356 20 5 CCBDMN CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856306991 615394864 /nfs/dbraw/zinc/39/48/64/615394864.db2.gz IISGIWYELJVLJE-VWMGYNLJSA-N 0 1 284.312 0.890 20 5 CCBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000839765460 615560134 /nfs/dbraw/zinc/56/01/34/615560134.db2.gz SAZGHIPJSJUHFU-SGIHWFKDSA-N 0 1 290.341 0.076 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000855137847 615867484 /nfs/dbraw/zinc/86/74/84/615867484.db2.gz XPOHOEIJCCWVHM-JHJVBQTASA-N 0 1 278.308 0.714 20 5 CCBDMN C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(C(=O)[O-])CC1 ZINC000828346362 616127650 /nfs/dbraw/zinc/12/76/50/616127650.db2.gz ZKVUGLRJTFCGJG-UHFFFAOYSA-N 0 1 297.315 0.866 20 5 CCBDMN C[NH+]1CCC(ONC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000816534530 616176214 /nfs/dbraw/zinc/17/62/14/616176214.db2.gz LWZQBVCUCYKHLY-UHFFFAOYSA-N 0 1 296.283 0.451 20 5 CCBDMN COC(=O)c1occc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855873502 616281739 /nfs/dbraw/zinc/28/17/39/616281739.db2.gz XHGPMWJLXGDSLT-HTQZYQBOSA-N 0 1 268.225 0.348 20 5 CCBDMN COC(=O)[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842343428 616293908 /nfs/dbraw/zinc/29/39/08/616293908.db2.gz NECXODHTPFBZSJ-ZYUZMQFOSA-N 0 1 271.269 0.927 20 5 CCBDMN CN1C[C@H](O)C[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000924991963 616484160 /nfs/dbraw/zinc/48/41/60/616484160.db2.gz NYEDVVIQNOHUDP-QWHCGFSZSA-N 0 1 293.323 0.319 20 5 CCBDMN CN1Cc2c(cccc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1=O ZINC000839821292 616514259 /nfs/dbraw/zinc/51/42/59/616514259.db2.gz PHBQABPNXHBMOC-LDYMZIIASA-N 0 1 275.264 0.876 20 5 CCBDMN CNC(=O)CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC000856139060 616561146 /nfs/dbraw/zinc/56/11/46/616561146.db2.gz OKVHFDYROJEOIJ-GHMZBOCLSA-N 0 1 297.355 0.854 20 5 CCBDMN COC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840282335 616654490 /nfs/dbraw/zinc/65/44/90/616654490.db2.gz IRIIROAPEQINIZ-IVZWLZJFSA-N 0 1 270.285 0.596 20 5 CCBDMN COC(=O)C[C@@H]1CSCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713842 616669694 /nfs/dbraw/zinc/66/96/94/616669694.db2.gz WYLPJQZOURBXNN-IWSPIJDZSA-N 0 1 288.325 0.159 20 5 CCBDMN COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840425020 616700815 /nfs/dbraw/zinc/70/08/15/616700815.db2.gz FVGFMYTXSCTQGB-SGIHWFKDSA-N 0 1 270.285 0.452 20 5 CCBDMN COC(=O)N1CC(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819178110 616806443 /nfs/dbraw/zinc/80/64/43/616806443.db2.gz QASNTLOZGAUCHL-GFCCVEGCSA-N 0 1 295.295 0.668 20 5 CCBDMN CNC(=O)[C@H](Cc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673396 616865879 /nfs/dbraw/zinc/86/58/79/616865879.db2.gz NKGGGCOZQIUOFJ-UTUOFQBUSA-N 0 1 292.291 0.552 20 5 CCBDMN COC[C@@H]1CCCN1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000862596771 616949172 /nfs/dbraw/zinc/94/91/72/616949172.db2.gz IYCWESIBJSLNEU-ZETCQYMHSA-N 0 1 269.261 0.074 20 5 CCBDMN COCCN(CCF)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000855590705 617010082 /nfs/dbraw/zinc/01/00/82/617010082.db2.gz PALLELGAJNJDKB-UHFFFAOYSA-N 0 1 274.252 0.684 20 5 CCBDMN COC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccn1 ZINC000854675223 617013171 /nfs/dbraw/zinc/01/31/71/617013171.db2.gz ADKDWXPXORPNAO-QNSHHTMESA-N 0 1 279.252 0.077 20 5 CCBDMN CO[C@]1(C)C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839694642 617133173 /nfs/dbraw/zinc/13/31/73/617133173.db2.gz QXRQEUISVLXXOU-MFYTUXHUSA-N 0 1 256.302 0.971 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000935214258 623084281 /nfs/dbraw/zinc/08/42/81/623084281.db2.gz QCXXIULVXAYJBX-VHSXEESVSA-N 0 1 295.343 0.651 20 5 CCBDMN C[S@](=O)Cc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905258548 634828937 /nfs/dbraw/zinc/82/89/37/634828937.db2.gz YGHBITZHKIOUHF-KRWDZBQOSA-N 0 1 256.327 0.931 20 5 CCBDMN O=[N+]([O-])CCNC[C@@H](O)C(F)(F)C(F)(F)F ZINC000905448647 634862708 /nfs/dbraw/zinc/86/27/08/634862708.db2.gz YFAJZPGALPVSDE-SCSAIBSYSA-N 0 1 252.139 0.411 20 5 CCBDMN O=C(N[C@H]1CCCC12OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000898955027 633700049 /nfs/dbraw/zinc/70/00/49/633700049.db2.gz GGPXRLZRHFMYKJ-HLTSFMKQSA-N 0 1 256.258 0.063 20 5 CCBDMN O=C(c1ccc(CNCC[N+](=O)[O-])cc1)N1CCOCC1 ZINC000899863825 633910301 /nfs/dbraw/zinc/91/03/01/633910301.db2.gz ANNMMPWFOFFSNY-UHFFFAOYSA-N 0 1 293.323 0.525 20 5 CCBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CN(C)CCN1C ZINC000900800064 634104686 /nfs/dbraw/zinc/10/46/86/634104686.db2.gz AXGGVGZJFOHOHY-GXSJLCMTSA-N 0 1 295.343 0.287 20 5 CCBDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1c1ncccc1[N+](=O)[O-] ZINC000910458464 635774471 /nfs/dbraw/zinc/77/44/71/635774471.db2.gz UEXXYVAXYDNPMA-JTQLQIEISA-N 0 1 294.311 0.975 20 5 CCBDMN CCC(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991292929 635860717 /nfs/dbraw/zinc/86/07/17/635860717.db2.gz KIYNSNZNIRXDPF-NXEZZACHSA-N 0 1 283.328 0.415 20 5 CCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])Cc2c[nH]nc21 ZINC000913583502 637312133 /nfs/dbraw/zinc/31/21/33/637312133.db2.gz OBIQGULYQZDJGY-NBEYISGCSA-N 0 1 250.258 0.521 20 5 CCBDMN O=C(NCCN1CCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839548526 640343579 /nfs/dbraw/zinc/34/35/79/640343579.db2.gz BTTIBEBQUMQWOA-DGCLKSJQSA-N 0 1 275.308 0.831 20 5 CCBDMN C[C@H](COCC(F)(F)F)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839595090 640345148 /nfs/dbraw/zinc/34/51/48/640345148.db2.gz DLTMNNKNZDYPHY-FSDSQADBSA-N 0 1 270.207 0.735 20 5 CCBDMN O=C(NCCCNc1ccccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000839685781 640349661 /nfs/dbraw/zinc/34/96/61/640349661.db2.gz YEDAWIKUZKJIQJ-NXEZZACHSA-N 0 1 264.285 0.665 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)CCc1ccccc1 ZINC000839681754 640355308 /nfs/dbraw/zinc/35/53/08/640355308.db2.gz STGAMDWDMIQNTR-CHWSQXEVSA-N 0 1 278.308 0.715 20 5 CCBDMN O=C(NCc1ccc2c(c1)COC2)[C@@H]1CC1[N+](=O)[O-] ZINC000839709716 640356924 /nfs/dbraw/zinc/35/69/24/640356924.db2.gz SYBKHDRRPGFLGB-VXGBXAGGSA-N 0 1 262.265 0.998 20 5 CCBDMN Cc1cccc([C@@H](O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839708643 640357080 /nfs/dbraw/zinc/35/70/80/640357080.db2.gz YKEQRVHJLHYRPN-UTUOFQBUSA-N 0 1 264.281 0.810 20 5 CCBDMN C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726201 640358528 /nfs/dbraw/zinc/35/85/28/640358528.db2.gz VOYQAHKMHWHGMO-WKSBVSIWSA-N 0 1 278.308 0.932 20 5 CCBDMN Cn1cc(C(C)(C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000839799310 640385633 /nfs/dbraw/zinc/38/56/33/640385633.db2.gz MTJZWKGTAYLIRI-RKDXNWHRSA-N 0 1 252.274 0.437 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1noc(C(F)F)n1 ZINC000819574039 641420488 /nfs/dbraw/zinc/42/04/88/641420488.db2.gz UEFOROYRZLKQTA-UOWFLXDJSA-N 0 1 276.199 0.850 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000840415756 641573844 /nfs/dbraw/zinc/57/38/44/641573844.db2.gz HXBVTRSXAJSNOI-GWOFURMSSA-N 0 1 282.296 0.248 20 5 CCBDMN C[S@](=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000828439208 642094224 /nfs/dbraw/zinc/09/42/24/642094224.db2.gz DYDMSZVADSJFHQ-IBGZPJMESA-N 0 1 286.357 0.807 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842512872 642906753 /nfs/dbraw/zinc/90/67/53/642906753.db2.gz IRIQJPDXVILVRP-CYBMUJFWSA-N 0 1 292.295 0.664 20 5 CCBDMN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CNCCO3)n2)o1 ZINC000843238060 643018370 /nfs/dbraw/zinc/01/83/70/643018370.db2.gz LEHBKRAHNHLOMT-ZETCQYMHSA-N 0 1 266.213 0.899 20 5 CCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C2(CCC2)CO1 ZINC000844921726 643256342 /nfs/dbraw/zinc/25/63/42/643256342.db2.gz SCLFSLKSUDVOCK-IVZWLZJFSA-N 0 1 254.286 0.822 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(O)(CO)CC2)c1 ZINC000852499658 643973003 /nfs/dbraw/zinc/97/30/03/643973003.db2.gz VLYOHLNEELDKRN-CYBMUJFWSA-N 0 1 296.323 0.447 20 5 CCBDMN O=C(N[C@@H]1COC2(CCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000855661548 644345777 /nfs/dbraw/zinc/34/57/77/644345777.db2.gz NVHWAQSRYKLMPP-ZETCQYMHSA-N 0 1 266.257 0.759 20 5 CCBDMN O=C(NN1CCc2ccccc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000855707933 644354814 /nfs/dbraw/zinc/35/48/14/644354814.db2.gz VPISATFDEGBVLO-VXGBXAGGSA-N 0 1 261.281 0.741 20 5 CCBDMN Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000855871261 644370262 /nfs/dbraw/zinc/37/02/62/644370262.db2.gz WCQBMPRJYJDKDY-QNWHQSFQSA-N 0 1 292.339 0.913 20 5 CCBDMN C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855976700 644378063 /nfs/dbraw/zinc/37/80/63/644378063.db2.gz XWTFWHOMLWZVEH-WCTZXXKLSA-N 0 1 282.218 0.830 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](CC(F)(F)F)C1 ZINC000856356475 644413044 /nfs/dbraw/zinc/41/30/44/644413044.db2.gz OPDWKNIMWDSMLK-XLPZGREQSA-N 0 1 282.218 0.831 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000856488457 644423483 /nfs/dbraw/zinc/42/34/83/644423483.db2.gz YCVCITKZVWJROT-KCGFPETGSA-N 0 1 278.255 0.923 20 5 CCBDMN C[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000857304444 644496549 /nfs/dbraw/zinc/49/65/49/644496549.db2.gz JGQPXQINANTFIR-IBJJFRMHSA-N 0 1 274.342 0.458 20 5 CCBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(N(C)C)nn1 ZINC000857638286 644547669 /nfs/dbraw/zinc/54/76/69/644547669.db2.gz PGUDFRZIMMFPLE-VXNVDRBHSA-N 0 1 265.273 0.455 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN[C@H](c2ccc(O)cc2)C1 ZINC000870093563 645961988 /nfs/dbraw/zinc/96/19/88/645961988.db2.gz VCKCCQQAHSGABQ-FRRDWIJNSA-N 0 1 291.307 0.530 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000880420073 647199129 /nfs/dbraw/zinc/19/91/29/647199129.db2.gz XGBBMQWWZVCQHB-RAIGVLPGSA-N 0 1 264.281 0.695 20 5 CCBDMN O=[N+]([O-])c1c(F)nccc1NCCN1CC[C@@H](O)C1 ZINC000882662140 647430184 /nfs/dbraw/zinc/43/01/84/647430184.db2.gz BLFKKTMYCCRDOV-MRVPVSSYSA-N 0 1 270.264 0.607 20 5 CCBDMN O=C(N[C@H]1CCOC12CCOCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000890449717 648300212 /nfs/dbraw/zinc/30/02/12/648300212.db2.gz KVVKNLXRPMSQEH-BBBLOLIVSA-N 0 1 270.285 0.106 20 5 CCBDMN C[C@H](O)[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000929154898 648709045 /nfs/dbraw/zinc/70/90/45/648709045.db2.gz ULGAUPSJYFQPHS-FZMZJTMJSA-N 0 1 295.339 0.459 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000935192289 649216686 /nfs/dbraw/zinc/21/66/86/649216686.db2.gz RRBLWKACHOTIHB-NXEZZACHSA-N 0 1 295.343 0.651 20 5 CCBDMN CN1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001164670674 719404363 /nfs/dbraw/zinc/40/43/63/719404363.db2.gz XJZXXLPTIRSGEF-NXEZZACHSA-N 0 1 279.300 0.091 20 5 CCBDMN O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2CN3CCC2CC3)c1 ZINC001155662803 801033893 /nfs/dbraw/zinc/03/38/93/801033893.db2.gz NINCCTQQRATXBB-NSHDSACASA-N 0 1 264.285 0.734 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2CC[C@@H]2C1 ZINC001158425002 801645419 /nfs/dbraw/zinc/64/54/19/801645419.db2.gz LCDQJSQYWOQVIK-SECBINFHSA-N 0 1 292.295 0.671 20 5 CCBDMN COCCN1CCCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001162156983 802283566 /nfs/dbraw/zinc/28/35/66/802283566.db2.gz AUHHSWFFAVJFQD-UHFFFAOYSA-N 0 1 283.332 0.487 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2ccc([N+](=O)[O-])cn2)S1 ZINC001163659264 802582636 /nfs/dbraw/zinc/58/26/36/802582636.db2.gz GMIHPYKNLUPZIK-SSDOTTSWSA-N 0 1 254.227 0.711 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2cc([N+](=O)[O-])c3nccn3c2)S1 ZINC001163665587 802586305 /nfs/dbraw/zinc/58/63/05/802586305.db2.gz GCNJAQJEDVITOH-VIFPVBQESA-N 0 1 293.264 0.964 20 5 CCBDMN CCN1CCCN(c2ncnc(OC)c2[N+](=O)[O-])CC1 ZINC001163773453 802610391 /nfs/dbraw/zinc/61/03/91/802610391.db2.gz CGCJVMRUJPUMCB-UHFFFAOYSA-N 0 1 281.316 0.925 20 5 CCBDMN COc1cc([N+](=O)[O-])cn(CCc2c[nH]nn2)c1=O ZINC001166614259 802925194 /nfs/dbraw/zinc/92/51/94/802925194.db2.gz GGWKMDJFSDRYNP-UHFFFAOYSA-N 0 1 265.229 0.126 20 5 CCBDMN COc1cc([N+](=O)[O-])cn(CCc2cnn[nH]2)c1=O ZINC001166614259 802925199 /nfs/dbraw/zinc/92/51/99/802925199.db2.gz GGWKMDJFSDRYNP-UHFFFAOYSA-N 0 1 265.229 0.126 20 5 CCBDMN COc1nc(N2CC[C@H](N)C(F)(F)C2)ncc1[N+](=O)[O-] ZINC001166959192 802994995 /nfs/dbraw/zinc/99/49/95/802994995.db2.gz ABFGBADDUZVAIJ-ZETCQYMHSA-N 0 1 289.242 0.566 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1O[C@@H]1CCS(=O)(=O)C1 ZINC001225490773 805134298 /nfs/dbraw/zinc/13/42/98/805134298.db2.gz KFIKPGUGDAFHOG-MRVPVSSYSA-N 0 1 273.266 0.866 20 5 CCBDMN COC(=O)c1cc(=O)c(O[C@@H](C[N+](=O)[O-])C2CC2)c[nH]1 ZINC001227785341 805389967 /nfs/dbraw/zinc/38/99/67/805389967.db2.gz FWRCXLNFQHDCRN-NSHDSACASA-N 0 1 282.252 0.596 20 5 CCBDMN COCC[NH+]1CCC(Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228142129 805417650 /nfs/dbraw/zinc/41/76/50/805417650.db2.gz YQJAKCMSOHDFCE-UHFFFAOYSA-N 0 1 298.299 0.580 20 5 CCBDMN C[N@@H+]1CCC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228142675 805418149 /nfs/dbraw/zinc/41/81/49/805418149.db2.gz GNYWBXVFXPTDGT-QMMMGPOBSA-N 0 1 268.273 0.954 20 5 CCBDMN C[N@H+]1CCC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228142675 805418157 /nfs/dbraw/zinc/41/81/57/805418157.db2.gz GNYWBXVFXPTDGT-QMMMGPOBSA-N 0 1 268.273 0.954 20 5 CCBDMN CC(C)[N@@H+]1CC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228145053 805418366 /nfs/dbraw/zinc/41/83/66/805418366.db2.gz YOBUOYBDIQPELL-QMMMGPOBSA-N 0 1 268.273 0.952 20 5 CCBDMN CC(C)[N@H+]1CC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228145053 805418369 /nfs/dbraw/zinc/41/83/69/805418369.db2.gz YOBUOYBDIQPELL-QMMMGPOBSA-N 0 1 268.273 0.952 20 5 CCBDMN C[C@@H](CON)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228610790 805459651 /nfs/dbraw/zinc/45/96/51/805459651.db2.gz ZMKJAERWUXMNRS-YFKPBYRVSA-N 0 1 270.245 0.625 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(OC2COCOC2)cc1O ZINC001228812528 805481080 /nfs/dbraw/zinc/48/10/80/805481080.db2.gz XITATMJUHUMKTH-UHFFFAOYSA-N 0 1 299.235 0.839 20 5 CCBDMN COC(=O)C[C@@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229376976 805527747 /nfs/dbraw/zinc/52/77/47/805527747.db2.gz YOBIHNOAMMXHLI-RXMQYKEDSA-N 0 1 271.229 0.729 20 5 CCBDMN Cc1nc(OC(=O)CCC[C@H](C)O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378744 805527869 /nfs/dbraw/zinc/52/78/69/805527869.db2.gz JRACAHSPTUUEAD-LURJTMIESA-N 0 1 285.256 0.855 20 5 CCBDMN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@H](O)CN2)n1 ZINC001248280141 807510065 /nfs/dbraw/zinc/51/00/65/807510065.db2.gz FHSPRTZZOXODQB-BQBZGAKWSA-N 0 1 295.230 0.574 20 5 CCBDMN O=C(NCC1(C2(O)CCC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000899682350 815217556 /nfs/dbraw/zinc/21/75/56/815217556.db2.gz XLFGMTCFFJHFHC-NXEZZACHSA-N 0 1 268.313 0.853 20 5 CCBDMN COc1ccc(-n2c(C)ncc(CN)c2=N)nc1[N+](=O)[O-] ZINC001167672821 811134553 /nfs/dbraw/zinc/13/45/53/811134553.db2.gz WXPTTYRDFKNCLK-UHFFFAOYSA-N 0 1 290.283 0.431 20 5 CCBDMN CC[C@H](O)C(=O)Oc1cc(O)c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228810272 814850110 /nfs/dbraw/zinc/85/01/10/814850110.db2.gz IWQUERQKINIXME-QMMMGPOBSA-N 0 1 299.235 0.763 20 5 CCBDMN CCCCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062554068 819963801 /nfs/dbraw/zinc/96/38/01/819963801.db2.gz FACAYRHWSHPMDM-GHMZBOCLSA-N 0 1 297.355 0.997 20 5 CCBDMN NCc1nnnn1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC001168923633 836056971 /nfs/dbraw/zinc/05/69/71/836056971.db2.gz BKDIAMVTSPJILV-UHFFFAOYSA-N 0 1 271.240 0.577 20 5 CCBDMN CC(=O)N(C)C1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037985 836111890 /nfs/dbraw/zinc/11/18/90/836111890.db2.gz UQPFXGJZJOFTCI-MNOVXSKESA-N 0 1 255.318 0.594 20 5 CCBDMN COc1cc([N+](=O)[O-])cnc1NCC1CN(C)C1 ZINC001170249525 837281839 /nfs/dbraw/zinc/28/18/39/837281839.db2.gz JOFOKVFYMAORBW-UHFFFAOYSA-N 0 1 252.274 0.972 20 5 CCBDMN COc1ccc(C[C@@H](C)NC2(CO)COC2)c([N+](=O)[O-])c1 ZINC001170308147 837307890 /nfs/dbraw/zinc/30/78/90/837307890.db2.gz LCISVRWXZPKQQH-SNVBAGLBSA-N 0 1 296.323 0.885 20 5 CCBDMN CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1nn[nH]n1 ZINC001130971780 837961796 /nfs/dbraw/zinc/96/17/96/837961796.db2.gz CVZBKAZGJZOGAO-UHFFFAOYSA-N 0 1 292.211 0.113 20 5 CCBDMN O=C(N[C@]12C[C@H]1COC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001133638207 838685807 /nfs/dbraw/zinc/68/58/07/838685807.db2.gz SZALMXYZGLQWRS-CPFSXVBKSA-N 0 1 288.263 0.990 20 5 CCBDMN CC(C)CN1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001053253704 852720175 /nfs/dbraw/zinc/72/01/75/852720175.db2.gz VSBNNMOVENEPLU-VXGBXAGGSA-N 0 1 297.355 0.221 20 5 CCBDMN C[C@@H]1C[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)O1 ZINC001299455959 901007625 /nfs/dbraw/zinc/00/76/25/901007625.db2.gz JJUDFWCPMZTEOS-BWZBUEFSSA-N 0 1 268.273 0.861 20 5 CCBDMN CC(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC001284144991 905156560 /nfs/dbraw/zinc/15/65/60/905156560.db2.gz LBIAGZXOSOTFHE-HMUNZLOLSA-N 0 1 295.339 0.271 20 5 CCBDMN COC(=O)[C@@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC001293708902 906508216 /nfs/dbraw/zinc/50/82/16/906508216.db2.gz TUQRRHVKYZFOKV-NSHDSACASA-N 0 1 282.256 0.389 20 5 CCBDMN C[C@@H](CCCCO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001298257231 907197650 /nfs/dbraw/zinc/19/76/50/907197650.db2.gz WGKAODCIBHITMS-ZETCQYMHSA-N 0 1 256.262 0.599 20 5 CCBDMN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2cncn2c1 ZINC001304164971 908155789 /nfs/dbraw/zinc/15/57/89/908155789.db2.gz DSXRHWRVYHJRHW-UHFFFAOYSA-N 0 1 287.239 0.473 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)Cc1cccnc1[N+](=O)[O-] ZINC001307864932 908356922 /nfs/dbraw/zinc/35/69/22/908356922.db2.gz IWYBYANOOVGMOX-UHFFFAOYSA-N 0 1 265.229 0.710 20 5 CCBDMN CNC(=O)N[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC001308076229 908373457 /nfs/dbraw/zinc/37/34/57/908373457.db2.gz NRSDRDGAYQNACI-JTQLQIEISA-N 0 1 296.331 0.185 20 5 CCBDMN NC(=O)c1cc([N+](=O)[O-])cnc1NCCN1CC=CC1 ZINC001318908795 909915677 /nfs/dbraw/zinc/91/56/77/909915677.db2.gz ITBXQDGKLKOXCG-UHFFFAOYSA-N 0 1 277.284 0.372 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](CO)C2)c1[N+](=O)[O-] ZINC001319527047 910187328 /nfs/dbraw/zinc/18/73/28/910187328.db2.gz JBGUOGCHHMBICA-ZETCQYMHSA-N 0 1 254.246 0.081 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ncon1 ZINC001320141762 910478671 /nfs/dbraw/zinc/47/86/71/910478671.db2.gz GZNLAWUKKVSGOV-SCSAIBSYSA-N 0 1 252.190 0.192 20 5 CCBDMN O=C(N[C@@H]1CCn2cncc2C1)c1[nH]ncc1[N+](=O)[O-] ZINC001328658194 915336346 /nfs/dbraw/zinc/33/63/46/915336346.db2.gz XPWBHGVEDXRDQA-SSDOTTSWSA-N 0 1 276.256 0.259 20 5 CCBDMN O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1[n-]ncc1[N+](=O)[O-] ZINC001328658194 915336366 /nfs/dbraw/zinc/33/63/66/915336366.db2.gz XPWBHGVEDXRDQA-SSDOTTSWSA-N 0 1 276.256 0.259 20 5 CCBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@](C)(O)C(=O)[O-] ZINC001328753701 915411547 /nfs/dbraw/zinc/41/15/47/915411547.db2.gz DGFNUFHXJBIPSY-ZDUSSCGKSA-N 0 1 282.296 0.905 20 5 CCBDMN C[C@@](O)(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(=O)[O-] ZINC001332642582 918344302 /nfs/dbraw/zinc/34/43/02/918344302.db2.gz JGOFJWDMEQNGPZ-CYBMUJFWSA-N 0 1 280.280 0.789 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CCN(CC2CC2)CC1 ZINC001334902031 919825129 /nfs/dbraw/zinc/82/51/29/919825129.db2.gz NZCVLYMLHWUSDN-UHFFFAOYSA-N 0 1 265.317 0.860 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC001339814664 921837320 /nfs/dbraw/zinc/83/73/20/921837320.db2.gz FRQVEABBOXOTFQ-AAEUAGOBSA-N 0 1 293.371 0.766 20 5 CCBDMN CCn1c(CCC[N+](=O)[O-])nnc1N1CCN(CC)CC1 ZINC001342553309 923000921 /nfs/dbraw/zinc/00/09/21/923000921.db2.gz GUCHRGPKGQUHSK-UHFFFAOYSA-N 0 1 296.375 0.649 20 5 CCBDMN O=C(O[C@H]1CCOC2(CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001344131299 923559689 /nfs/dbraw/zinc/55/96/89/923559689.db2.gz NTOGRPBLXKFFDO-HBNTYKKESA-N 0 1 285.296 0.923 20 5 CCBDMN CC(C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])=C1CCC1 ZINC001349997754 925111454 /nfs/dbraw/zinc/11/14/54/925111454.db2.gz WPBJENVDEUQZPR-VXGBXAGGSA-N 0 1 295.339 0.775 20 5 CCBDMN CCC(CC)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001353554585 925868721 /nfs/dbraw/zinc/86/87/21/925868721.db2.gz ONUMLPYLLDJZAI-DDHJBXDOSA-N 0 1 297.355 0.851 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C(C)(C)C(N)=O)c1[N+](=O)[O-] ZINC001450214042 931246977 /nfs/dbraw/zinc/24/69/77/931246977.db2.gz VRRKXBAQXAJABR-UHFFFAOYSA-N 0 1 283.288 0.216 20 5 CCBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC001589307692 953757280 /nfs/dbraw/zinc/75/72/80/953757280.db2.gz CEWUGPQMNSICHI-BDAKNGLRSA-N 0 1 268.273 0.934 20 5 CCBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC001589307692 953757287 /nfs/dbraw/zinc/75/72/87/953757287.db2.gz CEWUGPQMNSICHI-BDAKNGLRSA-N 0 1 268.273 0.934 20 5 CCBDMN O=C([O-])[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000132153269 958771445 /nfs/dbraw/zinc/77/14/45/958771445.db2.gz LJYNUULIKPBWEY-GHMZBOCLSA-N 0 1 266.253 0.615 20 5 CCBDMN O=C([O-])[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000132153269 958771462 /nfs/dbraw/zinc/77/14/62/958771462.db2.gz LJYNUULIKPBWEY-GHMZBOCLSA-N 0 1 266.253 0.615 20 5 CCBDMN C[N@@H+](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)CC(=O)[O-] ZINC001598491183 992294010 /nfs/dbraw/zinc/29/40/10/992294010.db2.gz SETCQBKIAPHHCO-UHFFFAOYSA-N 0 1 295.295 0.270 20 5 CCBDMN COC(=O)c1cc(NS(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC000090513215 349437785 /nfs/dbraw/zinc/43/77/85/349437785.db2.gz KLMBMBFJCCWVPA-UHFFFAOYSA-N 0 1 274.254 0.753 20 5 CCBDMN COCCN(CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093005506 349518814 /nfs/dbraw/zinc/51/88/14/349518814.db2.gz SKYHHPFDDWJETI-UHFFFAOYSA-N 0 1 270.285 0.741 20 5 CCBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCc2nc[nH]c2C1 ZINC000599951670 361841146 /nfs/dbraw/zinc/84/11/46/361841146.db2.gz HBFTVISJJJAXPX-UHFFFAOYSA-N 0 1 262.229 0.240 20 5 CCBDMN CNC(=O)[C@@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602471769 362635286 /nfs/dbraw/zinc/63/52/86/362635286.db2.gz IEUJVAJPXPLYQT-SECBINFHSA-N 0 1 281.316 0.286 20 5 CCBDMN CN(Cc1cn(C)nc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000602484497 362640385 /nfs/dbraw/zinc/64/03/85/362640385.db2.gz NTFAKPLSLRXFNC-SECBINFHSA-N 0 1 254.290 0.797 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1c(F)cccc1[N+](=O)[O-] ZINC000602552520 362674961 /nfs/dbraw/zinc/67/49/61/362674961.db2.gz UCQZWURMYGADIP-MRVPVSSYSA-N 0 1 283.259 0.452 20 5 CCBDMN Cc1nnsc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000602567516 362683261 /nfs/dbraw/zinc/68/32/61/362683261.db2.gz FIPJZHPOBWQMJI-UHFFFAOYSA-N 0 1 268.302 0.741 20 5 CCBDMN Cn1cc(CN2CC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])n1 ZINC000602704483 362760297 /nfs/dbraw/zinc/76/02/97/362760297.db2.gz FWULRPNGMDUSLL-SNVBAGLBSA-N 0 1 291.315 0.442 20 5 CCBDMN C[C@@H](O)CN1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602813352 362813944 /nfs/dbraw/zinc/81/39/44/362813944.db2.gz XVKMVUUHOQTJQN-WDEREUQCSA-N 0 1 297.359 0.215 20 5 CCBDMN COC[C@H](N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000262288960 137035402 /nfs/dbraw/zinc/03/54/02/137035402.db2.gz MQZUOKSTNAQNSP-VIFPVBQESA-N 0 1 283.284 0.193 20 5 CCBDMN COC(=O)c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC000343410591 137132520 /nfs/dbraw/zinc/13/25/20/137132520.db2.gz RMOXNTBNUMZHHD-UHFFFAOYSA-N 0 1 294.223 0.628 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000344450108 137195217 /nfs/dbraw/zinc/19/52/17/137195217.db2.gz LMERECQCMZUUHS-GHMZBOCLSA-N 0 1 295.343 0.732 20 5 CCBDMN Cc1nnc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[nH]1 ZINC000348069244 137371268 /nfs/dbraw/zinc/37/12/68/137371268.db2.gz HLJKKSXYHVSCDD-UHFFFAOYSA-N 0 1 279.260 0.592 20 5 CCBDMN Cc1n[nH]c(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n1 ZINC000348069244 137371269 /nfs/dbraw/zinc/37/12/69/137371269.db2.gz HLJKKSXYHVSCDD-UHFFFAOYSA-N 0 1 279.260 0.592 20 5 CCBDMN CN1CCN(C)[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000068801085 348822621 /nfs/dbraw/zinc/82/26/21/348822621.db2.gz TUDLRDAFAITVKF-LLVKDONJSA-N 0 1 284.385 0.992 20 5 CCBDMN COCCN1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000080948327 349234538 /nfs/dbraw/zinc/23/45/38/349234538.db2.gz PSSGNTCSRFPSKE-UHFFFAOYSA-N 0 1 283.332 0.487 20 5 CCBDMN CN(C)CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000081061106 349244391 /nfs/dbraw/zinc/24/43/91/349244391.db2.gz VDSQQSBEHVKYBD-UHFFFAOYSA-N 0 1 293.370 0.838 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2nnc[nH]2)c1 ZINC000088147624 349357470 /nfs/dbraw/zinc/35/74/70/349357470.db2.gz XTXQFFRWBWYIEV-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2nn[nH]n2)c1 ZINC000088147631 349357595 /nfs/dbraw/zinc/35/75/95/349357595.db2.gz YBTPOTZMIIGZJG-UHFFFAOYSA-N 0 1 262.229 0.346 20 5 CCBDMN CCc1nn(C)cc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000089367833 349382881 /nfs/dbraw/zinc/38/28/81/349382881.db2.gz RCQLSMPZMTVQGF-UHFFFAOYSA-N 0 1 278.272 0.544 20 5 CCBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1nnc[nH]1 ZINC000164864896 350783595 /nfs/dbraw/zinc/78/35/95/350783595.db2.gz NRMHSIOTZSNUAE-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN O=C(N[C@H]1CCC[C@H]1CCO)c1n[nH]cc1[N+](=O)[O-] ZINC000187914170 351563200 /nfs/dbraw/zinc/56/32/00/351563200.db2.gz OZDBRCXNKNFKAM-YUMQZZPRSA-N 0 1 268.273 0.599 20 5 CCBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CC[NH2+]C1 ZINC000122203431 187020907 /nfs/dbraw/zinc/02/09/07/187020907.db2.gz LYQHSYVXAVCFDP-ZETCQYMHSA-N 0 1 289.288 0.374 20 5 CCBDMN CCCN(CC(=O)OC)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000195444285 351913423 /nfs/dbraw/zinc/91/34/23/351913423.db2.gz BUDSFDKZTZRFQB-UHFFFAOYSA-N 0 1 298.299 0.906 20 5 CCBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1nnc[nH]1 ZINC000225049212 351999518 /nfs/dbraw/zinc/99/95/18/351999518.db2.gz KKFQCIHNNBQWKE-ZCFIWIBFSA-N 0 1 264.245 0.542 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000236195124 352192332 /nfs/dbraw/zinc/19/23/32/352192332.db2.gz QDLHORZJZTZQPQ-SNVBAGLBSA-N 0 1 283.259 0.452 20 5 CCBDMN CN1CCN(C)[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000264797955 352597887 /nfs/dbraw/zinc/59/78/87/352597887.db2.gz VSQBGOMIJINZLX-SNVBAGLBSA-N 0 1 298.368 0.632 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C[C@H](C)C(=O)NC)c1[N+](=O)[O-] ZINC000267057153 352741627 /nfs/dbraw/zinc/74/16/27/352741627.db2.gz COTBYOODEOJAQS-ZETCQYMHSA-N 0 1 297.315 0.334 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](O)C1 ZINC000269809595 352876771 /nfs/dbraw/zinc/87/67/71/352876771.db2.gz BNBVPPYVLIRTER-LLVKDONJSA-N 0 1 267.285 0.213 20 5 CCBDMN O=C(NCc1cn2c(n1)CCCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000270725899 352974337 /nfs/dbraw/zinc/97/43/37/352974337.db2.gz SLGOPASVHYWSSK-UHFFFAOYSA-N 0 1 290.283 0.781 20 5 CCBDMN O=C(NCc1cn2c([nH+]1)CCCC2)c1[n-]ncc1[N+](=O)[O-] ZINC000270725899 352974339 /nfs/dbraw/zinc/97/43/39/352974339.db2.gz SLGOPASVHYWSSK-UHFFFAOYSA-N 0 1 290.283 0.781 20 5 CCBDMN CNC(=O)CN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270785096 352985418 /nfs/dbraw/zinc/98/54/18/352985418.db2.gz PXCNDRUMDITBFX-UHFFFAOYSA-N 0 1 294.311 0.601 20 5 CCBDMN C[C@@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000270863698 352997607 /nfs/dbraw/zinc/99/76/07/352997607.db2.gz IOAMBQBWGFUNAM-CABZTGNLSA-N 0 1 282.300 0.989 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C)CC1(C)C ZINC000270961209 353008307 /nfs/dbraw/zinc/00/83/07/353008307.db2.gz XRRMMVKZVAXAQF-UHFFFAOYSA-N 0 1 295.343 0.652 20 5 CCBDMN COC(=O)CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272611981 353079169 /nfs/dbraw/zinc/07/91/69/353079169.db2.gz SLWQLJQSZHHCMA-UHFFFAOYSA-N 0 1 268.225 0.545 20 5 CCBDMN CC(C)NC(=O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272616821 353079717 /nfs/dbraw/zinc/07/97/17/353079717.db2.gz SPWFQBMOMZIMDZ-UHFFFAOYSA-N 0 1 281.268 0.555 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CCO)C1CC1 ZINC000272688894 353086395 /nfs/dbraw/zinc/08/63/95/353086395.db2.gz PWORFJQHWHBNIZ-UHFFFAOYSA-N 0 1 266.253 0.897 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCN(C(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000272856471 353101000 /nfs/dbraw/zinc/10/10/00/353101000.db2.gz SXZWLUBUYHZCCJ-UHFFFAOYSA-N 0 1 295.299 0.319 20 5 CCBDMN CCOC(=O)[C@H]1CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000274321184 353119343 /nfs/dbraw/zinc/11/93/43/353119343.db2.gz AVIADVFJTQGNRQ-MRVPVSSYSA-N 0 1 296.283 0.794 20 5 CCBDMN COC[C@](C)(CCO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274817985 353164500 /nfs/dbraw/zinc/16/45/00/353164500.db2.gz PSHYHAMVNVSLFP-ZDUSSCGKSA-N 0 1 298.295 0.818 20 5 CCBDMN C[C@H](O)CN1CCN(c2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000276125728 353207563 /nfs/dbraw/zinc/20/75/63/353207563.db2.gz NPHKFBKKKVDQGR-ZJUUUORDSA-N 0 1 281.316 0.276 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCN1 ZINC000155085117 188181412 /nfs/dbraw/zinc/18/14/12/188181412.db2.gz TWKLCAOZHNPXMT-MRVPVSSYSA-N 0 1 264.285 0.611 20 5 CCBDMN Cc1cccc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000279859347 353320381 /nfs/dbraw/zinc/32/03/81/353320381.db2.gz GHEGXDQTOBWZSL-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN COc1ccc(C(=O)N2CC(N(C)C)C2)cc1[N+](=O)[O-] ZINC000158338066 188371208 /nfs/dbraw/zinc/37/12/08/188371208.db2.gz GKXMLAQVXFZCEH-UHFFFAOYSA-N 0 1 279.296 0.989 20 5 CCBDMN CCN(CCOC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299530649 354024787 /nfs/dbraw/zinc/02/47/87/354024787.db2.gz LSRCIYTZHLQRGD-UHFFFAOYSA-N 0 1 256.262 0.735 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000331102522 354450365 /nfs/dbraw/zinc/45/03/65/354450365.db2.gz GTONMOQVYQYHPR-MRVPVSSYSA-N 0 1 268.273 0.735 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CC[C@H](C)O)c1[N+](=O)[O-] ZINC000331078097 354441194 /nfs/dbraw/zinc/44/11/94/354441194.db2.gz JVOKKQOHJVITJW-ZETCQYMHSA-N 0 1 270.289 0.723 20 5 CCBDMN CC[C@H]1CN(C)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000557919180 291046794 /nfs/dbraw/zinc/04/67/94/291046794.db2.gz CQZACMLYPQQJKA-NSHDSACASA-N 0 1 295.343 0.734 20 5 CCBDMN CC(C)[C@@H](O)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000271797638 191333819 /nfs/dbraw/zinc/33/38/19/191333819.db2.gz DAWGLZFWTFVTCN-SNVBAGLBSA-N 0 1 282.300 0.845 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2nn[nH]n2)CC1 ZINC000348281146 355902955 /nfs/dbraw/zinc/90/29/55/355902955.db2.gz JPQDQJVJQWZYGB-UHFFFAOYSA-N 0 1 288.267 0.835 20 5 CCBDMN O=C(NC1(c2nn[nH]n2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000348293560 355906805 /nfs/dbraw/zinc/90/68/05/355906805.db2.gz ODVWOCZXLBIOCL-UHFFFAOYSA-N 0 1 292.230 0.666 20 5 CCBDMN CCO[C@H]1COCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000362016318 138042081 /nfs/dbraw/zinc/04/20/81/138042081.db2.gz ACOCWHBUWRDSLF-ONGXEEELSA-N 0 1 284.316 0.612 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCN(CC)C(=O)C2)c1[N+](=O)[O-] ZINC000273601422 192225544 /nfs/dbraw/zinc/22/55/44/192225544.db2.gz YQLOGHUEFLKVND-UHFFFAOYSA-N 0 1 295.299 0.185 20 5 CCBDMN CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1C ZINC000354429729 356412190 /nfs/dbraw/zinc/41/21/90/356412190.db2.gz MXGJHWRCCJBGGK-IUCAKERBSA-N 0 1 281.316 0.873 20 5 CCBDMN O=C(NCc1cccc(-n2cncn2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000363233797 138088275 /nfs/dbraw/zinc/08/82/75/138088275.db2.gz BTSKQKSDNJOEFV-VXGBXAGGSA-N 0 1 287.279 0.549 20 5 CCBDMN CC(C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nn[nH]n1 ZINC000359786061 356893385 /nfs/dbraw/zinc/89/33/85/356893385.db2.gz KRCRNMFCPPBFSG-UHFFFAOYSA-N 0 1 290.283 0.702 20 5 CCBDMN CC(C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)O ZINC000360434027 357010711 /nfs/dbraw/zinc/01/07/11/357010711.db2.gz RGJDUFKOVAZLBH-SECBINFHSA-N 0 1 270.289 0.843 20 5 CCBDMN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@]12CCCO2 ZINC000368119846 357323125 /nfs/dbraw/zinc/32/31/25/357323125.db2.gz YWWYMGZVNWUADG-BZNQNGANSA-N 0 1 284.312 0.494 20 5 CCBDMN C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000294345981 199005917 /nfs/dbraw/zinc/00/59/17/199005917.db2.gz UFIYXWAWRWSRFV-QMMMGPOBSA-N 0 1 282.300 0.623 20 5 CCBDMN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)CN1C ZINC000408067217 357899201 /nfs/dbraw/zinc/89/92/01/357899201.db2.gz BDQPAAOJTRTWBN-NXEZZACHSA-N 0 1 281.316 0.342 20 5 CCBDMN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1C ZINC000408072201 357903477 /nfs/dbraw/zinc/90/34/77/357903477.db2.gz NAOGARXFCCYALM-SFYZADRCSA-N 0 1 267.289 0.530 20 5 CCBDMN COC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000294495269 199061520 /nfs/dbraw/zinc/06/15/20/199061520.db2.gz XHGBDIPOMLAGKW-ZETCQYMHSA-N 0 1 254.246 0.487 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000567796390 358587935 /nfs/dbraw/zinc/58/79/35/358587935.db2.gz ZGGXFBKJPNICHV-KOLCDFICSA-N 0 1 266.301 0.939 20 5 CCBDMN Cc1cnc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000569352575 358756495 /nfs/dbraw/zinc/75/64/95/358756495.db2.gz VLJCMCYUCPFBAD-JTQLQIEISA-N 0 1 297.340 0.707 20 5 CCBDMN CCOC(=O)c1c(C)n[nH]c1Cn1cnc([N+](=O)[O-])n1 ZINC000570630449 358876838 /nfs/dbraw/zinc/87/68/38/358876838.db2.gz MGRKVUPYYNGKTG-UHFFFAOYSA-N 0 1 280.244 0.443 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(C2CCC2)CC1 ZINC000582438986 359149144 /nfs/dbraw/zinc/14/91/44/359149144.db2.gz KOSVFIYPQROYTR-UHFFFAOYSA-N 0 1 293.327 0.488 20 5 CCBDMN Nc1cc(NCCc2nc[nH]n2)cc(CO)c1[N+](=O)[O-] ZINC000587997055 359305689 /nfs/dbraw/zinc/30/56/89/359305689.db2.gz UYTRISLQIUKWEX-UHFFFAOYSA-N 0 1 278.272 0.442 20 5 CCBDMN CN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1(C)C ZINC000590348904 359442361 /nfs/dbraw/zinc/44/23/61/359442361.db2.gz FGQSNZALUWVIAG-UHFFFAOYSA-N 0 1 294.311 0.862 20 5 CCBDMN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@H]1[NH3+] ZINC000592330535 359819504 /nfs/dbraw/zinc/81/95/04/359819504.db2.gz BVDYHHMQJQQEBI-LDYMZIIASA-N 0 1 294.311 0.895 20 5 CCBDMN C[NH+](C)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000298104982 200334537 /nfs/dbraw/zinc/33/45/37/200334537.db2.gz XDGJQXZDLAJPIZ-UHFFFAOYSA-N 0 1 282.300 0.765 20 5 CCBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000593187302 360051460 /nfs/dbraw/zinc/05/14/60/360051460.db2.gz IYMNGKTUWDXJCW-MXWKQRLJSA-N 0 1 295.343 0.731 20 5 CCBDMN COC[C@H]1C[C@@H](O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000593815602 360166901 /nfs/dbraw/zinc/16/69/01/360166901.db2.gz NMOFKOLQMHBMCA-ZYHUDNBSSA-N 0 1 296.279 0.522 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@@H](O)C1(C)C ZINC000594003807 360233533 /nfs/dbraw/zinc/23/35/33/360233533.db2.gz ZNITURTWLOGILW-DTWKUNHWSA-N 0 1 254.290 0.577 20 5 CCBDMN CNc1nccc(C(=O)N[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000594284103 360268218 /nfs/dbraw/zinc/26/82/18/360268218.db2.gz RNDXBYJDJCVQAP-VIFPVBQESA-N 0 1 293.327 0.277 20 5 CCBDMN C[C@@H]1C[C@@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594749680 360375714 /nfs/dbraw/zinc/37/57/14/360375714.db2.gz WRPCWDIJQDNPFZ-HTQZYQBOSA-N 0 1 271.298 0.924 20 5 CCBDMN CC(C)(O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594763239 360377973 /nfs/dbraw/zinc/37/79/73/360377973.db2.gz YUTKDJPPSKJWBK-UHFFFAOYSA-N 0 1 275.286 0.039 20 5 CCBDMN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1F ZINC000611502298 363726936 /nfs/dbraw/zinc/72/69/36/363726936.db2.gz RALYISWUEKHMOA-USWWRNFRSA-N 0 1 286.307 0.832 20 5 CCBDMN C[C@H]1CC(=O)NCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556988 363738245 /nfs/dbraw/zinc/73/82/45/363738245.db2.gz SEPQIGRGYPUVAZ-QMMMGPOBSA-N 0 1 293.279 0.651 20 5 CCBDMN C[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]C1 ZINC000596050702 360781243 /nfs/dbraw/zinc/78/12/43/360781243.db2.gz NJYKJEKJBSIYFK-SECBINFHSA-N 0 1 291.354 0.687 20 5 CCBDMN Cc1nn(C)cc1[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179174100 189175446 /nfs/dbraw/zinc/17/54/46/189175446.db2.gz YBUNAJPTTVESSY-ZCFIWIBFSA-N 0 1 278.272 0.851 20 5 CCBDMN Cc1nn(C)c(N(C)CC2CN(C)C2)c1[N+](=O)[O-] ZINC000596453002 360899224 /nfs/dbraw/zinc/89/92/24/360899224.db2.gz HLRYZAXBDHLRFK-UHFFFAOYSA-N 0 1 253.306 0.635 20 5 CCBDMN O=C(NC[C@@H]1CN2CCN1CCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000597624139 361167036 /nfs/dbraw/zinc/16/70/36/361167036.db2.gz HAQSZMQYAIEOIV-SNVBAGLBSA-N 0 1 293.327 0.043 20 5 CCBDMN COCc1nc(CNC(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000598053940 361325115 /nfs/dbraw/zinc/32/51/15/361325115.db2.gz IWMBZVQGGLEAHF-UHFFFAOYSA-N 0 1 297.296 0.851 20 5 CCBDMN COCc1nnc(CNC(=O)c2ccc([N+](=O)[O-])s2)[nH]1 ZINC000598053940 361325120 /nfs/dbraw/zinc/32/51/20/361325120.db2.gz IWMBZVQGGLEAHF-UHFFFAOYSA-N 0 1 297.296 0.851 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC000598447085 361420848 /nfs/dbraw/zinc/42/08/48/361420848.db2.gz GYEAAODVFFAEGN-MADCSZMMSA-N 0 1 282.300 0.717 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCCCC2)n1 ZINC000599202333 361610278 /nfs/dbraw/zinc/61/02/78/361610278.db2.gz BDVBLZRKFRIYMQ-UHFFFAOYSA-N 0 1 288.329 0.939 20 5 CCBDMN CSC[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599238235 361618235 /nfs/dbraw/zinc/61/82/35/361618235.db2.gz PBSQPWAIVQMXRT-LURJTMIESA-N 0 1 294.358 0.358 20 5 CCBDMN CCC1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCC1 ZINC000599249209 361619221 /nfs/dbraw/zinc/61/92/21/361619221.db2.gz UBHTVTULUJIBMH-UHFFFAOYSA-N 0 1 288.329 0.939 20 5 CCBDMN CC/C=C/CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599316803 361649969 /nfs/dbraw/zinc/64/99/69/361649969.db2.gz MZSKPDMAWOVSNO-SNAWJCMRSA-N 0 1 274.302 0.573 20 5 CCBDMN CCN1CCC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000565181714 291353403 /nfs/dbraw/zinc/35/34/03/291353403.db2.gz PLRPMVDVUYLOFF-VIFPVBQESA-N 0 1 293.327 0.616 20 5 CCBDMN COCCOC1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000331608969 204009526 /nfs/dbraw/zinc/00/95/26/204009526.db2.gz WGFVCGTXOUNKKI-UHFFFAOYSA-N 0 1 284.272 0.114 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000279276448 194363684 /nfs/dbraw/zinc/36/36/84/194363684.db2.gz JXBQFMXTRMONNK-MRVPVSSYSA-N 0 1 282.300 0.723 20 5 CCBDMN COC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000262220754 274050007 /nfs/dbraw/zinc/05/00/07/274050007.db2.gz PDRVZLFTSXESMP-JTQLQIEISA-N 0 1 265.269 0.458 20 5 CCBDMN CC(C)[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1nncn1C ZINC000285392782 388791561 /nfs/dbraw/zinc/79/15/61/388791561.db2.gz OEFOHVRHUXCFHC-LLVKDONJSA-N 0 1 293.331 0.907 20 5 CCBDMN CC(C)(C)C(=O)NCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000129277579 389185543 /nfs/dbraw/zinc/18/55/43/389185543.db2.gz COXJMGSOHHOOIK-UHFFFAOYSA-N 0 1 283.288 0.210 20 5 CCBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1COC[C@@H]1O ZINC000342348600 389211169 /nfs/dbraw/zinc/21/11/69/389211169.db2.gz NGPONRNMHNTDPS-QWRGUYRKSA-N 0 1 282.252 0.132 20 5 CCBDMN Nc1c(C(=O)NCCc2nc[nH]n2)cccc1[N+](=O)[O-] ZINC000157405268 389332038 /nfs/dbraw/zinc/33/20/38/389332038.db2.gz KPKKNGIBLLTXHW-UHFFFAOYSA-N 0 1 276.256 0.268 20 5 CCBDMN O=C(NCc1cccc2c1OCO2)c1n[nH]cc1[N+](=O)[O-] ZINC000137858833 389271169 /nfs/dbraw/zinc/27/11/69/389271169.db2.gz FWCBHRQVCNGNJZ-UHFFFAOYSA-N 0 1 290.235 0.977 20 5 CCBDMN O=C(CCOc1ccccc1[N+](=O)[O-])NCc1nnc[nH]1 ZINC000264746599 389351456 /nfs/dbraw/zinc/35/14/56/389351456.db2.gz KZIHCUIPGWYSMB-UHFFFAOYSA-N 0 1 291.267 0.798 20 5 CCBDMN CN1CCN(C)[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000264749030 389352241 /nfs/dbraw/zinc/35/22/41/389352241.db2.gz SEZAMWDNSFAHDX-CYBMUJFWSA-N 0 1 292.339 0.570 20 5 CCBDMN CN1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000349696178 389421355 /nfs/dbraw/zinc/42/13/55/389421355.db2.gz QCQZRLVAQMGNDD-UHFFFAOYSA-N 0 1 289.251 0.343 20 5 CCBDMN Cn1ncc2c1CCCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000411843677 389453340 /nfs/dbraw/zinc/45/33/40/389453340.db2.gz LFPVUPKRPVXJFH-UHFFFAOYSA-N 0 1 290.327 0.973 20 5 CCBDMN CN(C)CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173684070 389507214 /nfs/dbraw/zinc/50/72/14/389507214.db2.gz HVZOPBOPXAKKFP-JTQLQIEISA-N 0 1 293.327 0.564 20 5 CCBDMN COC(=O)[C@H]1CN(C)CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000413502363 389524736 /nfs/dbraw/zinc/52/47/36/389524736.db2.gz QNQMTBYCFUTRNN-JTQLQIEISA-N 0 1 294.311 0.531 20 5 CCBDMN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])cnc2N)[nH]1 ZINC000351577066 389620140 /nfs/dbraw/zinc/62/01/40/389620140.db2.gz YWFVXUNDYIZCKE-UHFFFAOYSA-N 0 1 263.217 0.251 20 5 CCBDMN Cc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])cnc2N)n1 ZINC000351577066 389620144 /nfs/dbraw/zinc/62/01/44/389620144.db2.gz YWFVXUNDYIZCKE-UHFFFAOYSA-N 0 1 263.217 0.251 20 5 CCBDMN C[C@H](NCC(=O)N1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000180414021 389670031 /nfs/dbraw/zinc/67/00/31/389670031.db2.gz XWCFEKAEXKOSJU-VIFPVBQESA-N 0 1 292.295 0.797 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CNCCO1 ZINC000429978330 389778403 /nfs/dbraw/zinc/77/84/03/389778403.db2.gz XUPNYTKLRMMLSM-GFCCVEGCSA-N 0 1 295.295 0.208 20 5 CCBDMN C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000445146919 389921913 /nfs/dbraw/zinc/92/19/13/389921913.db2.gz ZLLOHYBCQRRWLE-RKDXNWHRSA-N 0 1 294.311 0.860 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000445798557 389926320 /nfs/dbraw/zinc/92/63/20/389926320.db2.gz PZXWCCAGNURAIO-DTWKUNHWSA-N 0 1 281.316 0.462 20 5 CCBDMN COCC[C@@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCOC1 ZINC000446957726 389943757 /nfs/dbraw/zinc/94/37/57/389943757.db2.gz OMNUFWPWKCCHNV-LLVKDONJSA-N 0 1 284.272 0.243 20 5 CCBDMN COCC[C@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCOC1 ZINC000446957727 389943836 /nfs/dbraw/zinc/94/38/36/389943836.db2.gz OMNUFWPWKCCHNV-NSHDSACASA-N 0 1 284.272 0.243 20 5 CCBDMN O=C(C[C@H]1COCCN1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262546366 131231691 /nfs/dbraw/zinc/23/16/91/131231691.db2.gz OBXSFTGLCJEFNT-JTQLQIEISA-N 0 1 291.307 0.862 20 5 CCBDMN Cc1sc(C(=O)N=c2ncn(C)[nH]2)cc1[N+](=O)[O-] ZINC000356463191 144005115 /nfs/dbraw/zinc/00/51/15/144005115.db2.gz YAXDSEMATFJPJR-UHFFFAOYSA-N 0 1 267.270 0.767 20 5 CCBDMN Cn1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000356553695 144013857 /nfs/dbraw/zinc/01/38/57/144013857.db2.gz UMKSAMRRRZHVMN-UHFFFAOYSA-N 0 1 276.252 0.964 20 5 CCBDMN CC1=CCN(CCNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356726424 144027090 /nfs/dbraw/zinc/02/70/90/144027090.db2.gz GMAMAGDEDLAQKR-UHFFFAOYSA-N 0 1 293.327 0.710 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000356757513 144030125 /nfs/dbraw/zinc/03/01/25/144030125.db2.gz AOKYLNWHPQGDHZ-RDDDGLTNSA-N 0 1 266.253 0.753 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(n2ccnn2)C1 ZINC000356931672 144044844 /nfs/dbraw/zinc/04/48/44/144044844.db2.gz XZGNCNUMWRNEPR-UHFFFAOYSA-N 0 1 289.251 0.589 20 5 CCBDMN Cn1c(C(=O)N2CCN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000356996594 144049710 /nfs/dbraw/zinc/04/97/10/144049710.db2.gz KVCXEZZWIBUVBC-UHFFFAOYSA-N 0 1 278.312 0.854 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000547405354 285939494 /nfs/dbraw/zinc/93/94/94/285939494.db2.gz XNUVPSMNLLNFNE-UFBFGSQYSA-N 0 1 296.279 0.116 20 5 CCBDMN O=C(NCCCCN1CCOCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548410319 286034073 /nfs/dbraw/zinc/03/40/73/286034073.db2.gz OKEYOUWIBWGVOV-UHFFFAOYSA-N 0 1 297.315 0.160 20 5 CCBDMN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCNCC1 ZINC000032048149 171688447 /nfs/dbraw/zinc/68/84/47/171688447.db2.gz BHSPWWACFVMTNP-UHFFFAOYSA-N 0 1 265.269 0.405 20 5 CCBDMN CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCCN(C)C1 ZINC000285464592 196292310 /nfs/dbraw/zinc/29/23/10/196292310.db2.gz AUHMYRLMXSYYNJ-MRVPVSSYSA-N 0 1 267.289 0.484 20 5 CCBDMN C[C@H](CO)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000285708519 196373638 /nfs/dbraw/zinc/37/36/38/196373638.db2.gz MEBMZAICZFUQLA-SSDOTTSWSA-N 0 1 254.242 0.753 20 5 CCBDMN CN1CCN(CCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044396820 175171006 /nfs/dbraw/zinc/17/10/06/175171006.db2.gz AHBGSYLLGFBRHF-UHFFFAOYSA-N 0 1 298.368 0.634 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)CC1 ZINC000146470553 544645573 /nfs/dbraw/zinc/64/55/73/544645573.db2.gz DYJOQRQQVBWRQT-UHFFFAOYSA-N 0 1 253.306 0.347 20 5 CCBDMN O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H](O)[C@H](CO)C2)cc1 ZINC000317379557 260206655 /nfs/dbraw/zinc/20/66/55/260206655.db2.gz HIFWOLIHUPOQGN-AAEUAGOBSA-N 0 1 266.297 0.422 20 5 CCBDMN CN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 ZINC000285048151 277152681 /nfs/dbraw/zinc/15/26/81/277152681.db2.gz QBCHOGQCALCTCU-QWRGUYRKSA-N 0 1 294.311 0.468 20 5 CCBDMN CSc1n[nH]c(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)n1 ZINC000445184832 278178465 /nfs/dbraw/zinc/17/84/65/278178465.db2.gz PRXSHWPJFOBKJG-UHFFFAOYSA-N 0 1 296.268 0.788 20 5 CCBDMN C[C@@H](C[NH3+])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262450938 278250677 /nfs/dbraw/zinc/25/06/77/278250677.db2.gz FMEOZZBONFCQBK-LURJTMIESA-N 0 1 293.732 0.874 20 5 CCBDMN O=C(CCc1nc[nH]n1)NCc1cccc([N+](=O)[O-])c1 ZINC000177180794 335367693 /nfs/dbraw/zinc/36/76/93/335367693.db2.gz OQUPLWURKLRXBP-UHFFFAOYSA-N 0 1 275.268 0.962 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cnn[nH]1 ZINC000194419138 336020712 /nfs/dbraw/zinc/02/07/12/336020712.db2.gz JETUUKMSKLQEBD-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC(CO)C2)c1[N+](=O)[O-] ZINC000184227587 521327665 /nfs/dbraw/zinc/32/76/65/521327665.db2.gz WHWMQPXJLGVQPU-UHFFFAOYSA-N 0 1 268.273 0.335 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000155888136 525380358 /nfs/dbraw/zinc/38/03/58/525380358.db2.gz VLPOSXXHQOZOOK-ZCFIWIBFSA-N 0 1 284.272 0.778 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC(C)(O)CC2)c1[N+](=O)[O-] ZINC000268401349 535998684 /nfs/dbraw/zinc/99/86/84/535998684.db2.gz JGQVMYRUIXOUCT-UHFFFAOYSA-N 0 1 282.300 0.867 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](CO)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000362360104 536002524 /nfs/dbraw/zinc/00/25/24/536002524.db2.gz RRCMFEZKIDXKMF-JGVFFNPUSA-N 0 1 298.299 0.102 20 5 CCBDMN Cn1nccc1S(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000727353379 581317322 /nfs/dbraw/zinc/31/73/22/581317322.db2.gz RKXXLGYIGZEBNH-UHFFFAOYSA-N 0 1 297.296 0.711 20 5 CCBDMN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nn[nH]n1 ZINC000755310024 581635878 /nfs/dbraw/zinc/63/58/78/581635878.db2.gz NYYWMCVXWUXHDH-SOFGYWHQSA-N 0 1 288.267 0.828 20 5 CCBDMN NC(=O)NCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000744145085 581833048 /nfs/dbraw/zinc/83/30/48/581833048.db2.gz BMYISYAWDPDXOJ-UHFFFAOYSA-N 0 1 256.218 0.138 20 5 CCBDMN CN1C[C@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1=O ZINC000772765189 581889861 /nfs/dbraw/zinc/88/98/61/581889861.db2.gz OGBYBYZEIFYHMP-SSDOTTSWSA-N 0 1 267.241 0.558 20 5 CCBDMN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000763882969 582018876 /nfs/dbraw/zinc/01/88/76/582018876.db2.gz XXASJBHMRTXHMW-ZIAGYGMSSA-N 0 1 296.323 0.711 20 5 CCBDMN CC(C)O[C@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000842372373 614052164 /nfs/dbraw/zinc/05/21/64/614052164.db2.gz ITKNROMFKIIQKQ-CKYFFXLPSA-N 0 1 273.285 0.779 20 5 CCBDMN CC(C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000840442643 614168298 /nfs/dbraw/zinc/16/82/98/614168298.db2.gz PHLNWEVOQFWPCE-RKDXNWHRSA-N 0 1 269.301 0.169 20 5 CCBDMN CC(C)=CC(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954234752 614239715 /nfs/dbraw/zinc/23/97/15/614239715.db2.gz IVVBRQSRCSWHKQ-GHMZBOCLSA-N 0 1 281.312 0.287 20 5 CCBDMN CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839611619 614873929 /nfs/dbraw/zinc/87/39/29/614873929.db2.gz XSSHRFVVLBSJHQ-HBNTYKKESA-N 0 1 283.328 0.416 20 5 CCBDMN CCOC(=O)CCC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673675 615171449 /nfs/dbraw/zinc/17/14/49/615171449.db2.gz YABOMCOPOZYBAE-RKDXNWHRSA-N 0 1 273.241 0.107 20 5 CCBDMN CCOC(=O)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000841189074 615184997 /nfs/dbraw/zinc/18/49/97/615184997.db2.gz WHNYKLOSCAMTIC-RKDXNWHRSA-N 0 1 272.301 0.842 20 5 CCBDMN CCOC(=O)[C@@H](CCSC)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842957435 615275474 /nfs/dbraw/zinc/27/54/74/615275474.db2.gz FXZQLAJRNJUGLZ-IWSPIJDZSA-N 0 1 291.325 0.880 20 5 CCBDMN CCO[C@@H]1C[C@@](CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000840429894 615441732 /nfs/dbraw/zinc/44/17/32/615441732.db2.gz IADOMBULIYLKAG-PRFIWBCESA-N 0 1 286.328 0.334 20 5 CCBDMN CCN1[C@H](C)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1C ZINC000912022989 615450242 /nfs/dbraw/zinc/45/02/42/615450242.db2.gz BGKXRKJTAQHLGK-AOOOYVTPSA-N 0 1 296.331 0.127 20 5 CCBDMN CC[C@H](C)N(CC(=O)OC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840443916 615670456 /nfs/dbraw/zinc/67/04/56/615670456.db2.gz OHDUCNGHCHEOPC-DJLDLDEBSA-N 0 1 258.274 0.452 20 5 CCBDMN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839598519 615677112 /nfs/dbraw/zinc/67/71/12/615677112.db2.gz OGDMSNNNMXMMHK-JQCXWYLXSA-N 0 1 257.290 0.071 20 5 CCBDMN CCc1nc([C@H](C)OC(=O)Cn2cnc([N+](=O)[O-])n2)n[nH]1 ZINC000849705119 615756944 /nfs/dbraw/zinc/75/69/44/615756944.db2.gz UEBARDGGGKUSFQ-LURJTMIESA-N 0 1 295.259 0.171 20 5 CCBDMN CN(C(=O)C1CCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953488473 615803423 /nfs/dbraw/zinc/80/34/23/615803423.db2.gz BDAZMMXCXKMKRK-VXGBXAGGSA-N 0 1 295.339 0.511 20 5 CCBDMN CN(C(=O)[O-])[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000827890024 615844699 /nfs/dbraw/zinc/84/46/99/615844699.db2.gz NSMNGMGUZAUYHR-SECBINFHSA-N 0 1 283.288 0.475 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000839786163 615867311 /nfs/dbraw/zinc/86/73/11/615867311.db2.gz MJELFQBZRHZJRD-OPRDCNLKSA-N 0 1 258.318 0.907 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC(C)(C)OC1=O ZINC000839778890 615867450 /nfs/dbraw/zinc/86/74/50/615867450.db2.gz JKOPHNYPGCWHIZ-BWZBUEFSSA-N 0 1 256.258 0.204 20 5 CCBDMN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839701692 616017799 /nfs/dbraw/zinc/01/77/99/616017799.db2.gz PVYKQWTWZUIFRL-NZSVVZKJSA-N 0 1 288.369 0.848 20 5 CCBDMN CN(C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)C(=O)[O-] ZINC000828260670 616155345 /nfs/dbraw/zinc/15/53/45/616155345.db2.gz VRYSQSGJAPMLCG-SNVBAGLBSA-N 0 1 297.315 0.723 20 5 CCBDMN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000852495120 616162940 /nfs/dbraw/zinc/16/29/40/616162940.db2.gz HPVWXOQUVLJAIQ-KBPBESRZSA-N 0 1 296.323 0.975 20 5 CCBDMN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000923276607 616309181 /nfs/dbraw/zinc/30/91/81/616309181.db2.gz ZNNWGZUHCNTVJJ-DTWKUNHWSA-N 0 1 279.300 0.627 20 5 CCBDMN CN1C[C@H](O)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000924979458 616461656 /nfs/dbraw/zinc/46/16/56/616461656.db2.gz FILCCKARDXHXMH-NXEZZACHSA-N 0 1 297.286 0.529 20 5 CCBDMN COC1CCN(CCNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000892854174 616523882 /nfs/dbraw/zinc/52/38/82/616523882.db2.gz RRZVWAHKIZYAQV-UHFFFAOYSA-N 0 1 283.332 0.851 20 5 CCBDMN COCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCOCC1 ZINC000829740873 616944377 /nfs/dbraw/zinc/94/43/77/616944377.db2.gz RPSUWZNJEMDMMF-GHMZBOCLSA-N 0 1 272.301 0.306 20 5 CCBDMN COCCN(CCF)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000852483869 617012397 /nfs/dbraw/zinc/01/23/97/617012397.db2.gz SWMHHOWWAGSWLC-NSHDSACASA-N 0 1 290.295 0.070 20 5 CCBDMN CO[C@]1(C)C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839694640 617133482 /nfs/dbraw/zinc/13/34/82/617133482.db2.gz QXRQEUISVLXXOU-KZFFXBSXSA-N 0 1 256.302 0.971 20 5 CCBDMN CO[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCSC1 ZINC000928496595 617136481 /nfs/dbraw/zinc/13/64/81/617136481.db2.gz VCYRBPORHFUDDG-MRTMQBJTSA-N 0 1 260.315 0.290 20 5 CCBDMN CO[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000856157057 617168643 /nfs/dbraw/zinc/16/86/43/617168643.db2.gz YWAWSPNVRAIQSF-MXWKQRLJSA-N 0 1 256.302 0.973 20 5 CCBDMN O=C(OCCCN1CCCC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670858 631668696 /nfs/dbraw/zinc/66/86/96/631668696.db2.gz LHGBAJDTDHXUSI-RKDXNWHRSA-N 0 1 256.258 0.207 20 5 CCBDMN COc1ccnc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840671553 631672569 /nfs/dbraw/zinc/67/25/69/631672569.db2.gz WWLGRUVROGBFCX-NXEZZACHSA-N 0 1 252.226 0.799 20 5 CCBDMN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1CN(C)CCN1C ZINC000895248175 632032949 /nfs/dbraw/zinc/03/29/49/632032949.db2.gz JINKEWCKNFBWLV-MWLCHTKSSA-N 0 1 280.332 0.431 20 5 CCBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CN(C)CCN1C ZINC000900803542 634090433 /nfs/dbraw/zinc/09/04/33/634090433.db2.gz JXMSLMLUFPQZBQ-ZJUUUORDSA-N 0 1 296.327 0.552 20 5 CCBDMN CCC1(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001011115699 650286552 /nfs/dbraw/zinc/28/65/52/650286552.db2.gz QYNFITYYSDXBOJ-GHMZBOCLSA-N 0 1 295.339 0.513 20 5 CCBDMN CCC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011115751 650286592 /nfs/dbraw/zinc/28/65/92/650286592.db2.gz SWXLEHLEZYSUCM-GHMZBOCLSA-N 0 1 297.355 0.759 20 5 CCBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnc[nH]1 ZINC000088752846 637351287 /nfs/dbraw/zinc/35/12/87/637351287.db2.gz YGLYSMSKCXSPDC-UHFFFAOYSA-N 0 1 261.241 0.830 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(c2ncc(C3CC3)cn2)C1 ZINC000913617052 637381058 /nfs/dbraw/zinc/38/10/58/637381058.db2.gz KIPJNQOSAJSMTD-VXGBXAGGSA-N 0 1 288.307 0.945 20 5 CCBDMN C[C@@H](CN(C)C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000805114838 640343972 /nfs/dbraw/zinc/34/39/72/640343972.db2.gz AKHKTGXFHYEOLX-ZETCQYMHSA-N 0 1 293.370 0.885 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000839679028 640353422 /nfs/dbraw/zinc/35/34/22/640353422.db2.gz FFFOXIXSIVSFOD-FBIMIBRVSA-N 0 1 277.280 0.795 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000839710687 640357038 /nfs/dbraw/zinc/35/70/38/640357038.db2.gz OLGPODXBKBZCIN-LNFKQOIKSA-N 0 1 254.286 0.537 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1CC(F)F ZINC000839761574 640359937 /nfs/dbraw/zinc/35/99/37/640359937.db2.gz IYUZOQUFHNEVTN-XLPZGREQSA-N 0 1 264.228 0.534 20 5 CCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000839748715 640360527 /nfs/dbraw/zinc/36/05/27/640360527.db2.gz MDZVDEFTCNBENJ-HBNTYKKESA-N 0 1 284.312 0.448 20 5 CCBDMN Cn1nncc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000809135761 640891653 /nfs/dbraw/zinc/89/16/53/640891653.db2.gz NMCATSMUKMPFCM-UHFFFAOYSA-N 0 1 251.202 0.408 20 5 CCBDMN O=C(OCCCN1C(=O)CNC1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000811034513 640960605 /nfs/dbraw/zinc/96/06/05/640960605.db2.gz VQWWGRQKWBRYMZ-UHFFFAOYSA-N 0 1 296.239 0.022 20 5 CCBDMN O=C(Nc1c[nH]nn1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000816320612 641161284 /nfs/dbraw/zinc/16/12/84/641161284.db2.gz YMQNBHZGZZDRTP-UHFFFAOYSA-N 0 1 250.174 0.066 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccnc2F)c1 ZINC000819276062 641396403 /nfs/dbraw/zinc/39/64/03/641396403.db2.gz ABOHSVAUMUVPDP-NSHDSACASA-N 0 1 295.274 0.476 20 5 CCBDMN O=C(N[C@H](CCO)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000820291450 641494638 /nfs/dbraw/zinc/49/46/38/641494638.db2.gz HGPFWABSBDQWKZ-RXMQYKEDSA-N 0 1 282.178 0.361 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000840415757 641574262 /nfs/dbraw/zinc/57/42/62/641574262.db2.gz HXBVTRSXAJSNOI-LNFKQOIKSA-N 0 1 282.296 0.248 20 5 CCBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CNC(=O)N1 ZINC000837514206 642749558 /nfs/dbraw/zinc/74/95/58/642749558.db2.gz LSXASSFCFBHUNR-QMMMGPOBSA-N 0 1 281.224 0.025 20 5 CCBDMN C[C@@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCC(=O)NC1 ZINC000842412342 642897285 /nfs/dbraw/zinc/89/72/85/642897285.db2.gz CVYVFEACGXIBRT-SOCHQFKDSA-N 0 1 256.258 0.111 20 5 CCBDMN C[C@](CO)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000855086784 644288069 /nfs/dbraw/zinc/28/80/69/644288069.db2.gz XJSKCDOIYYEGQU-NQBHXWOUSA-N 0 1 264.281 0.676 20 5 CCBDMN C[C@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)COC(=O)N1 ZINC000860995394 644846244 /nfs/dbraw/zinc/84/62/44/644846244.db2.gz OUFXCNXVHDBEBZ-JTQLQIEISA-N 0 1 269.213 0.578 20 5 CCBDMN O=C(N[C@H]1c2ccccc2CC[C@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000886713846 648000290 /nfs/dbraw/zinc/00/02/90/648000290.db2.gz RFAGTOAKMCRZKU-LPWJVIDDSA-N 0 1 276.292 0.816 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1C[C@H]1CCCO1 ZINC000887853807 648163093 /nfs/dbraw/zinc/16/30/93/648163093.db2.gz QMUYABKVDVJMSW-DDHJBXDOSA-N 0 1 284.312 0.448 20 5 CCBDMN C[C@@H](NC[C@H](O)[C@H](C)O)c1ccccc1[N+](=O)[O-] ZINC000931616600 649009223 /nfs/dbraw/zinc/00/92/23/649009223.db2.gz BPJSYENQEJFUJS-PTRXPTGYSA-N 0 1 254.286 0.987 20 5 CCBDMN CN1CCO[C@@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@H]21 ZINC001164668029 719372127 /nfs/dbraw/zinc/37/21/27/719372127.db2.gz MUWOAWZOQFIEHK-GHMZBOCLSA-N 0 1 264.285 0.509 20 5 CCBDMN COC(=O)c1nc[n-]c(=O)c1O[C@H](C)C[N+](C)(C)C ZINC001233757301 806116909 /nfs/dbraw/zinc/11/69/09/806116909.db2.gz BCVDTAAULTWJDC-MRVPVSSYSA-O 0 1 270.309 0.442 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1NC(=O)Nc1c[nH]nn1 ZINC001203068921 799944683 /nfs/dbraw/zinc/94/46/83/799944683.db2.gz XGEAHHYQRKPJHO-UHFFFAOYSA-N 0 1 263.217 0.482 20 5 CCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC=C[C@H]1CO ZINC001153292273 800617666 /nfs/dbraw/zinc/61/76/66/800617666.db2.gz MVWJCKFMSJJKBM-VIFPVBQESA-N 0 1 288.263 0.844 20 5 CCBDMN Cc1nc(C)c(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)[nH]1 ZINC001155043677 800897137 /nfs/dbraw/zinc/89/71/37/800897137.db2.gz QDMSMRHWXXHODP-UHFFFAOYSA-N 0 1 250.218 0.910 20 5 CCBDMN Nc1nc(NCc2noc3c2CNCC3)ccc1[N+](=O)[O-] ZINC001155497735 800991880 /nfs/dbraw/zinc/99/18/80/800991880.db2.gz LTNRQJBZEYUAOV-UHFFFAOYSA-N 0 1 290.283 0.818 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCCOC2)c1[N+](=O)[O-] ZINC001157417660 801375458 /nfs/dbraw/zinc/37/54/58/801375458.db2.gz IYZJVBGICVRITR-UHFFFAOYSA-N 0 1 254.246 0.700 20 5 CCBDMN C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001158366079 801627015 /nfs/dbraw/zinc/62/70/15/801627015.db2.gz VOMSFTBMEOSZNX-SNVBAGLBSA-N 0 1 294.311 0.910 20 5 CCBDMN C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001158366079 801627018 /nfs/dbraw/zinc/62/70/18/801627018.db2.gz VOMSFTBMEOSZNX-SNVBAGLBSA-N 0 1 294.311 0.910 20 5 CCBDMN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncc([N+](=O)[O-])cc1F ZINC001159293203 801785342 /nfs/dbraw/zinc/78/53/42/801785342.db2.gz CGTACOOMVWLCJD-UHFFFAOYSA-N 0 1 281.247 0.830 20 5 CCBDMN O=[N+]([O-])c1cnc(NCc2nnc3n2CCCNC3)nc1 ZINC001163010702 802454987 /nfs/dbraw/zinc/45/49/87/802454987.db2.gz BCYKLHQORTZEHQ-UHFFFAOYSA-N 0 1 290.287 0.082 20 5 CCBDMN Cc1nc([C@@H](C)Nc2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC001163242807 802515557 /nfs/dbraw/zinc/51/55/57/802515557.db2.gz SYUQRRYGXKDNKR-RXMQYKEDSA-N 0 1 251.250 0.928 20 5 CCBDMN Cc1nnc(CN)n1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001163345818 802539466 /nfs/dbraw/zinc/53/94/66/802539466.db2.gz GKRQTLKDKATNSX-UHFFFAOYSA-N 0 1 268.664 0.991 20 5 CCBDMN Cc1nnc(CN)n1-c1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001163348452 802542172 /nfs/dbraw/zinc/54/21/72/802542172.db2.gz BVBLWVIKHXGHID-UHFFFAOYSA-N 0 1 284.663 0.229 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2ncnc3[nH]cc([N+](=O)[O-])c32)S1 ZINC001163662305 802585356 /nfs/dbraw/zinc/58/53/56/802585356.db2.gz MUJDOBKQXCKEDN-QMMMGPOBSA-N 0 1 294.252 0.587 20 5 CCBDMN COC(=O)[C@@H]1CNCCN1c1ncc(F)cc1[N+](=O)[O-] ZINC001165437590 802841063 /nfs/dbraw/zinc/84/10/63/802841063.db2.gz UHNPDLDQJFOVLM-VIFPVBQESA-N 0 1 284.247 0.080 20 5 CCBDMN COC(=O)[C@@H]1CNCCN1c1nccc(C)c1[N+](=O)[O-] ZINC001165438206 802842053 /nfs/dbraw/zinc/84/20/53/802842053.db2.gz YDABDMGNVOABIU-VIFPVBQESA-N 0 1 280.284 0.249 20 5 CCBDMN COCc1nn(-c2ncc([N+](=O)[O-])c(C)n2)c2c1CNC2 ZINC001165635121 802858912 /nfs/dbraw/zinc/85/89/12/802858912.db2.gz ZIJFIRWEUUFHBH-UHFFFAOYSA-N 0 1 290.283 0.629 20 5 CCBDMN O=c1[nH]c(C2CC2)nc(OC[C@@H]2COCCO2)c1[N+](=O)[O-] ZINC001228602738 805458649 /nfs/dbraw/zinc/45/86/49/805458649.db2.gz FEFWVLQZDNLUBM-QMMMGPOBSA-N 0 1 297.267 0.762 20 5 CCBDMN NC(=O)C1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602511 808265697 /nfs/dbraw/zinc/26/56/97/808265697.db2.gz FZZMGIXVKHYQFV-GFCCVEGCSA-N 0 1 261.281 0.479 20 5 CCBDMN O=[N+]([O-])C[C@H](OCc1nn[nH]n1)c1cccnc1 ZINC001223028263 812077187 /nfs/dbraw/zinc/07/71/87/812077187.db2.gz ZMADMLYFTSWHJK-QMMMGPOBSA-N 0 1 250.218 0.129 20 5 CCBDMN Cc1ccc(OCCOC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC000893705905 812453401 /nfs/dbraw/zinc/45/34/01/812453401.db2.gz WLRDTKZRZMWMAX-NXEZZACHSA-N 0 1 266.253 0.977 20 5 CCBDMN Cc1nnc(=S)[nH]c1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001227597290 814430854 /nfs/dbraw/zinc/43/08/54/814430854.db2.gz AXYOOVNKVCDIBQ-SSDOTTSWSA-N 0 1 256.287 0.903 20 5 CCBDMN Cc1ccc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001030291608 815960221 /nfs/dbraw/zinc/96/02/21/815960221.db2.gz CPEHJZYDGVPGCZ-ZIAGYGMSSA-N 0 1 289.335 0.961 20 5 CCBDMN Cc1cc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sn1 ZINC001030293138 815962864 /nfs/dbraw/zinc/96/28/64/815962864.db2.gz GCTBBNLKRPOSJB-GHMZBOCLSA-N 0 1 296.352 0.417 20 5 CCBDMN O=C(N[C@@H]1CCC2(C1)OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC001127607981 817343517 /nfs/dbraw/zinc/34/35/17/817343517.db2.gz JILYDRYDVWFAOV-IWSPIJDZSA-N 0 1 256.258 0.063 20 5 CCBDMN O=C(N[C@H]1CCOC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001162873806 819734471 /nfs/dbraw/zinc/73/44/71/819734471.db2.gz SMITYDFVMVNNGW-VIFPVBQESA-N 0 1 266.209 0.346 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=O)C[C@H]1C1CC1 ZINC000828270004 821755332 /nfs/dbraw/zinc/75/53/32/821755332.db2.gz XSPUEPRLBSVUPH-OUAUKWLOSA-N 0 1 252.270 0.622 20 5 CCBDMN CN(C1COC1)C1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169032947 836108110 /nfs/dbraw/zinc/10/81/10/836108110.db2.gz AATJTGCCZWLGRM-WDEREUQCSA-N 0 1 269.345 0.447 20 5 CCBDMN COC[C@@H]1COCCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169043819 836114003 /nfs/dbraw/zinc/11/40/03/836114003.db2.gz HXZDSXNUIRKMQB-GRYCIOLGSA-N 0 1 258.318 0.779 20 5 CCBDMN CCN1C[C@@H](C)N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1=O ZINC001169042103 836114038 /nfs/dbraw/zinc/11/40/38/836114038.db2.gz CWPGWQFPAVTDQY-IJLUTSLNSA-N 0 1 269.345 0.984 20 5 CCBDMN CC(=O)N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169018800 836114279 /nfs/dbraw/zinc/11/42/79/836114279.db2.gz DZGAGNMBLKLPQT-NEPJUHHUSA-N 0 1 255.318 0.596 20 5 CCBDMN CC1(C)C(=O)NCCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169022471 836115695 /nfs/dbraw/zinc/11/56/95/836115695.db2.gz BYOPBFDQJUOVDY-NXEZZACHSA-N 0 1 255.318 0.642 20 5 CCBDMN COC(=O)c1nc(Cl)[n-]c(=NOCC[NH3+])c1[N+](=O)[O-] ZINC001156291743 836195646 /nfs/dbraw/zinc/19/56/46/836195646.db2.gz KCYPAIZMJCZOQP-UHFFFAOYSA-N 0 1 291.651 0.127 20 5 CCBDMN CNc1cc([N+](=O)[O-])cnc1NC[C@H]1COCCN1 ZINC001170041300 836764950 /nfs/dbraw/zinc/76/49/50/836764950.db2.gz GRLXAKSVUAPRCS-QMMMGPOBSA-N 0 1 267.289 0.432 20 5 CCBDMN O=[N+]([O-])c1cccc2cnc(NC[C@H]3COCCN3)nc21 ZINC001170042681 836777090 /nfs/dbraw/zinc/77/70/90/836777090.db2.gz SENXNSPCTPZPIP-JTQLQIEISA-N 0 1 289.295 0.938 20 5 CCBDMN NCc1nnnn1-c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001158074943 837912652 /nfs/dbraw/zinc/91/26/52/837912652.db2.gz NXFXKARNIICLNO-UHFFFAOYSA-N 0 1 291.058 0.126 20 5 CCBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)c1cnon1 ZINC001135573855 839299921 /nfs/dbraw/zinc/29/99/21/839299921.db2.gz WYMMWYAKGVYBMI-UHFFFAOYSA-N 0 1 297.296 0.559 20 5 CCBDMN CC[C@](N)(CO)Nc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001170866141 839463908 /nfs/dbraw/zinc/46/39/08/839463908.db2.gz NZDOEBOUMCAIFX-GFCCVEGCSA-N 0 1 280.284 0.307 20 5 CCBDMN O=C(NCCCNc1ccccc1[N+](=O)[O-])c1cnn[nH]1 ZINC001094881248 841865435 /nfs/dbraw/zinc/86/54/35/841865435.db2.gz AOESMNOXTKQPHF-UHFFFAOYSA-N 0 1 290.283 0.945 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(CO)(CO)CC1 ZINC001175982176 842299265 /nfs/dbraw/zinc/29/92/65/842299265.db2.gz BLICZBLJMHWZOZ-UHFFFAOYSA-N 0 1 296.323 0.867 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCc1ccon1 ZINC001187634901 844741540 /nfs/dbraw/zinc/74/15/40/844741540.db2.gz WBZNWQNOCYTEND-UHFFFAOYSA-N 0 1 284.253 0.456 20 5 CCBDMN CN(CCNc1ncccc1[N+](=O)[O-])C(=O)c1ccn[nH]1 ZINC001101510033 855301666 /nfs/dbraw/zinc/30/16/66/855301666.db2.gz RMUXFUHYMXAZSF-UHFFFAOYSA-N 0 1 290.283 0.897 20 5 CCBDMN CCC1(C(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285368523 905608108 /nfs/dbraw/zinc/60/81/08/905608108.db2.gz XSWLDBQIPHVCKE-GHMZBOCLSA-N 0 1 297.355 0.759 20 5 CCBDMN COC(=O)CCC(C)(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001292996108 906382903 /nfs/dbraw/zinc/38/29/03/906382903.db2.gz AZEIEQUKJGIBME-UHFFFAOYSA-N 0 1 284.272 0.780 20 5 CCBDMN C[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)O1 ZINC001302413009 908019743 /nfs/dbraw/zinc/01/97/43/908019743.db2.gz OWWBKRPOHHMXEB-DSYKOEDSSA-N 0 1 254.246 0.614 20 5 CCBDMN COc1cc(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])sn1 ZINC001304118365 908146978 /nfs/dbraw/zinc/14/69/78/908146978.db2.gz DWUSNHXTJHGGML-HTQZYQBOSA-N 0 1 271.298 0.775 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2CC[C@H](O)[C@H](CO)C2)c1 ZINC001307850543 908358393 /nfs/dbraw/zinc/35/83/93/908358393.db2.gz SGOILDPYQDICRA-FZMZJTMJSA-N 0 1 296.323 0.649 20 5 CCBDMN CCN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)C(C)C ZINC001320683704 910800023 /nfs/dbraw/zinc/80/00/23/910800023.db2.gz UXBWFDDXJSMDCV-UHFFFAOYSA-N 0 1 297.359 0.922 20 5 CCBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H](N2CCC2)C1 ZINC001339678147 921794147 /nfs/dbraw/zinc/79/41/47/921794147.db2.gz KYRVLBSOKGAKLM-MRVPVSSYSA-N 0 1 265.273 0.238 20 5 CCBDMN O=C(C[C@H]1COCCN1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331942740 917737719 /nfs/dbraw/zinc/73/77/19/917737719.db2.gz FMIOZEHZSHAHEG-LBPRGKRZSA-N 0 1 291.307 0.816 20 5 CCBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCNC[C@@H]1CO ZINC001342439616 922959124 /nfs/dbraw/zinc/95/91/24/922959124.db2.gz LZOKTVNYMAYESJ-LLVKDONJSA-N 0 1 293.323 0.618 20 5 CCBDMN CC(C)CCC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001348420738 924683564 /nfs/dbraw/zinc/68/35/64/924683564.db2.gz QVPWZWSIHLXZOF-NXEZZACHSA-N 0 1 271.317 0.320 20 5 CCBDMN Cc1cc(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001443938258 929746888 /nfs/dbraw/zinc/74/68/88/929746888.db2.gz UOTUWEIEVIQKLF-LBPRGKRZSA-N 0 1 290.279 0.976 20 5 CCBDMN CC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[S@]1=O ZINC001449613822 931170001 /nfs/dbraw/zinc/17/00/01/931170001.db2.gz ZFUDRASUYKPTEO-CXNNERTKSA-N 0 1 274.342 0.411 20 5 CCBDMN C[C@H](C(=O)[O-])[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC001588598059 959402452 /nfs/dbraw/zinc/40/24/52/959402452.db2.gz ZRGOKYYJRLXGQH-MRVPVSSYSA-N 0 1 268.273 0.729 20 5 CCBDMN O=C([O-])[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001606449616 973894395 /nfs/dbraw/zinc/89/43/95/973894395.db2.gz XANAAJXAEMJUEN-JTQLQIEISA-N 0 1 295.295 0.553 20 5 CCBDMN CO[C@]1(C(=O)[O-])CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001599077107 996898409 /nfs/dbraw/zinc/89/84/09/996898409.db2.gz DMNYHDGUXVSQFA-GFCCVEGCSA-N 0 1 298.299 0.275 20 5 CCBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000599654363 361774135 /nfs/dbraw/zinc/77/41/35/361774135.db2.gz ZTYIEHSDQKVNQY-WAAGHKOSSA-N 0 1 279.296 0.996 20 5 CCBDMN C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C[C@H]21 ZINC000599992046 361847572 /nfs/dbraw/zinc/84/75/72/361847572.db2.gz QAUURCNOORKJST-JZYVYDRUSA-N 0 1 292.295 0.327 20 5 CCBDMN O=C(NCC[C@@H]1CCCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC000600166103 361880688 /nfs/dbraw/zinc/88/06/88/361880688.db2.gz VOVIYDUBBOKGGC-QMMMGPOBSA-N 0 1 268.273 0.864 20 5 CCBDMN C[C@H](C[S@@](C)=O)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000126156194 187221114 /nfs/dbraw/zinc/22/11/14/187221114.db2.gz NOOXOHFZBKNRTI-LZVRBXCZSA-N 0 1 274.346 0.490 20 5 CCBDMN O=C(NCc1nnc[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000113702198 349818274 /nfs/dbraw/zinc/81/82/74/349818274.db2.gz CTZMEINWRXBXRV-UHFFFAOYSA-N 0 1 265.204 0.782 20 5 CCBDMN CC(C)[C@@H]1CNCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000602529690 362660274 /nfs/dbraw/zinc/66/02/74/362660274.db2.gz QRBUSLXXWPZJFF-NSHDSACASA-N 0 1 281.316 0.248 20 5 CCBDMN CC[C@]1(O)CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602623030 362718331 /nfs/dbraw/zinc/71/83/31/362718331.db2.gz CRQDYLNATXGXNP-NSHDSACASA-N 0 1 254.290 0.675 20 5 CCBDMN C[C@H]1[C@@H](CO)CCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602847606 362834318 /nfs/dbraw/zinc/83/43/18/362834318.db2.gz YJCRKWNMHQXWSB-VHSXEESVSA-N 0 1 268.317 0.921 20 5 CCBDMN O=C([O-])[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000262284786 137035333 /nfs/dbraw/zinc/03/53/33/137035333.db2.gz LZNQFWXBFNQYKZ-JTQLQIEISA-N 0 1 268.273 0.730 20 5 CCBDMN C[C@@H]1[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CCCN1C ZINC000343571767 137142866 /nfs/dbraw/zinc/14/28/66/137142866.db2.gz VAIFOKQFWOJPMS-RKDXNWHRSA-N 0 1 281.316 0.541 20 5 CCBDMN CCC[C@@](C)(CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344461703 137195462 /nfs/dbraw/zinc/19/54/62/137195462.db2.gz RFYFJPCXEKHUOC-JTQLQIEISA-N 0 1 256.262 0.599 20 5 CCBDMN COC(=O)[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000036429604 348167564 /nfs/dbraw/zinc/16/75/64/348167564.db2.gz WTNRNQSOBXIVTP-ZETCQYMHSA-N 0 1 282.256 0.404 20 5 CCBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCNCC1 ZINC000032049750 348129268 /nfs/dbraw/zinc/12/92/68/348129268.db2.gz QSDSUQGDDFPTTK-UHFFFAOYSA-N 0 1 279.296 0.796 20 5 CCBDMN O=C(NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC000044522766 348321733 /nfs/dbraw/zinc/32/17/33/348321733.db2.gz SQZFGALYWQIEFI-GHMZBOCLSA-N 0 1 281.312 0.169 20 5 CCBDMN CC(=O)C[C@H]1COCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000273385548 192133609 /nfs/dbraw/zinc/13/36/09/192133609.db2.gz RTABMHJLKCIHOF-VIFPVBQESA-N 0 1 296.283 0.446 20 5 CCBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(N)=O ZINC000049240938 348446849 /nfs/dbraw/zinc/44/68/49/348446849.db2.gz DIICAYHRKATVKN-YUMQZZPRSA-N 0 1 280.284 0.829 20 5 CCBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(N)=O ZINC000049240944 348446894 /nfs/dbraw/zinc/44/68/94/348446894.db2.gz DIICAYHRKATVKN-HTQZYQBOSA-N 0 1 280.284 0.829 20 5 CCBDMN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000075648863 349044739 /nfs/dbraw/zinc/04/47/39/349044739.db2.gz XBMGTCAQDZHFOY-PWSUYJOCSA-N 0 1 298.343 0.652 20 5 CCBDMN CC(C)(CO)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000081017060 349239866 /nfs/dbraw/zinc/23/98/66/349239866.db2.gz AVZFCIXDMJRVDV-UHFFFAOYSA-N 0 1 280.328 0.883 20 5 CCBDMN O=C(NC[C@@H]1CCCC[C@H]1O)c1n[nH]cc1[N+](=O)[O-] ZINC000131020339 350257942 /nfs/dbraw/zinc/25/79/42/350257942.db2.gz PBPFDMCNXPBVCW-IONNQARKSA-N 0 1 268.273 0.599 20 5 CCBDMN CCOC(=O)CC[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000134365079 350361680 /nfs/dbraw/zinc/36/16/80/350361680.db2.gz MSEOCMQMIZENKA-ZETCQYMHSA-N 0 1 284.272 0.780 20 5 CCBDMN CCN(CCCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000135508725 350399026 /nfs/dbraw/zinc/39/90/26/350399026.db2.gz FISVLIJBAUHCPC-UHFFFAOYSA-N 0 1 281.312 0.898 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)N1CCCCC1 ZINC000154049171 350573851 /nfs/dbraw/zinc/57/38/51/350573851.db2.gz FIELDKLLNGBEOW-QMMMGPOBSA-N 0 1 295.299 0.449 20 5 CCBDMN NC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154094695 350575770 /nfs/dbraw/zinc/57/57/70/350575770.db2.gz OWXGKLPLMVSQDB-JGVFFNPUSA-N 0 1 295.299 0.482 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1Cc1n[nH]c(C2CC2)n1 ZINC000179647196 351274617 /nfs/dbraw/zinc/27/46/17/351274617.db2.gz TXASCNHCFDYHHF-UHFFFAOYSA-N 0 1 261.241 0.800 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000264957984 352610096 /nfs/dbraw/zinc/61/00/96/352610096.db2.gz LOIXJLYOJKIERV-UHFFFAOYSA-N 0 1 293.327 0.937 20 5 CCBDMN C[C@H](Cn1cccn1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270615964 352957655 /nfs/dbraw/zinc/95/76/55/352957655.db2.gz QEXNTZOTPPATFM-SSDOTTSWSA-N 0 1 264.245 0.333 20 5 CCBDMN CC[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1O ZINC000270944189 353006628 /nfs/dbraw/zinc/00/66/28/353006628.db2.gz RXGYZLACCQBIMH-TVQRCGJNSA-N 0 1 293.323 0.896 20 5 CCBDMN CCCCCN(CC(N)=O)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000272490588 353067866 /nfs/dbraw/zinc/06/78/66/353067866.db2.gz DRTXQJOWNYJLHX-UHFFFAOYSA-N 0 1 297.315 0.744 20 5 CCBDMN CC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)OC ZINC000272708739 353087110 /nfs/dbraw/zinc/08/71/10/353087110.db2.gz XAOZVJSTABVUHR-SNVBAGLBSA-N 0 1 282.252 0.982 20 5 CCBDMN O=C(NC[C@H]1CSCCS1)c1n[nH]cc1[N+](=O)[O-] ZINC000152649587 188035017 /nfs/dbraw/zinc/03/50/17/188035017.db2.gz NLDLCFUCBLVOIA-LURJTMIESA-N 0 1 288.354 0.896 20 5 CCBDMN CC(C)OC(=O)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000156784519 188281582 /nfs/dbraw/zinc/28/15/82/188281582.db2.gz HDDMJJNUEYRPGY-UHFFFAOYSA-N 0 1 284.272 0.780 20 5 CCBDMN CC(C)C(=O)NCCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000157706967 188333821 /nfs/dbraw/zinc/33/38/21/188333821.db2.gz VKWPTEBGWCFKBO-UHFFFAOYSA-N 0 1 283.332 0.495 20 5 CCBDMN COCC[C@H]1COCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000291205911 353773782 /nfs/dbraw/zinc/77/37/82/353773782.db2.gz NPEROIXMKLCUMY-VIFPVBQESA-N 0 1 298.299 0.504 20 5 CCBDMN C[NH+](C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000294214600 353878925 /nfs/dbraw/zinc/87/89/25/353878925.db2.gz VWNIRRDJWJVBQR-UHFFFAOYSA-N 0 1 292.299 0.933 20 5 CCBDMN COCC1(O)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000295564675 353904365 /nfs/dbraw/zinc/90/43/65/353904365.db2.gz ODUKYJCOEYOODC-UHFFFAOYSA-N 0 1 282.252 0.134 20 5 CCBDMN CSc1n[nH]c(NC(=O)Cn2ccc([N+](=O)[O-])n2)n1 ZINC000299544308 354025788 /nfs/dbraw/zinc/02/57/88/354025788.db2.gz PPRFSWQLPYTDDJ-UHFFFAOYSA-N 0 1 283.273 0.270 20 5 CCBDMN CCNC(=O)CN(CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299571411 354028363 /nfs/dbraw/zinc/02/83/63/354028363.db2.gz WAQBOWXAGRISAE-UHFFFAOYSA-N 0 1 283.288 0.225 20 5 CCBDMN CCN(CCO)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000330438285 354358741 /nfs/dbraw/zinc/35/87/41/354358741.db2.gz BWMQQKADWJECLK-UHFFFAOYSA-N 0 1 270.289 0.896 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1C[C@H](O)C[C@H]1CO ZINC000330453457 354365483 /nfs/dbraw/zinc/36/54/83/354365483.db2.gz LKKKLZHMVPPSDM-GXSJLCMTSA-N 0 1 268.269 0.228 20 5 CCBDMN Cc1cn(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)nc1[N+](=O)[O-] ZINC000331127116 354459044 /nfs/dbraw/zinc/45/90/44/354459044.db2.gz OALFXIHPVFAVJV-GRYCIOLGSA-N 0 1 298.343 0.570 20 5 CCBDMN NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ccncc1[N+](=O)[O-] ZINC000341120458 355610021 /nfs/dbraw/zinc/61/00/21/355610021.db2.gz CSNZDRGWFTVXAW-NSHDSACASA-N 0 1 293.327 0.163 20 5 CCBDMN NC(=O)[C@@H]1CCCN1CCCNc1ccncc1[N+](=O)[O-] ZINC000341120458 355610026 /nfs/dbraw/zinc/61/00/26/355610026.db2.gz CSNZDRGWFTVXAW-NSHDSACASA-N 0 1 293.327 0.163 20 5 CCBDMN COc1cc([N+](=O)[O-])ccc1CN(C)CCC(N)=O ZINC000353173757 356169725 /nfs/dbraw/zinc/16/97/25/356169725.db2.gz PEZFSBSJMZETLC-UHFFFAOYSA-N 0 1 267.285 0.911 20 5 CCBDMN Cc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)n[nH]1 ZINC000353303326 356199184 /nfs/dbraw/zinc/19/91/84/356199184.db2.gz IUTNNHPKJDYGDT-YFKPBYRVSA-N 0 1 264.245 0.840 20 5 CCBDMN C[C@H](CC[NH+](C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361892385 138037663 /nfs/dbraw/zinc/03/76/63/138037663.db2.gz KYESPQBMGRVLCP-MRVPVSSYSA-N 0 1 282.300 0.765 20 5 CCBDMN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1CO ZINC000362080541 138045865 /nfs/dbraw/zinc/04/58/65/138045865.db2.gz XRFBIJDLXPLBMW-CABZTGNLSA-N 0 1 293.323 0.754 20 5 CCBDMN Cc1ccc(C(=O)Nc2nn[nH]c2C(N)=O)cc1[N+](=O)[O-] ZINC000362413067 138058600 /nfs/dbraw/zinc/05/86/00/138058600.db2.gz WOMRZHSLHWPQEA-UHFFFAOYSA-N 0 1 290.239 0.373 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1csc([N+](=O)[O-])c1 ZINC000609532674 363502749 /nfs/dbraw/zinc/50/27/49/363502749.db2.gz ODSQJICNHGIYGO-UHFFFAOYSA-N 0 1 254.231 0.099 20 5 CCBDMN Cc1n[nH]c(C(=O)N[C@@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC000355880341 356665003 /nfs/dbraw/zinc/66/50/03/356665003.db2.gz MZPRQNHADDGSBA-YFKPBYRVSA-N 0 1 265.233 0.235 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)C[C@@H]1CO ZINC000376296484 357453667 /nfs/dbraw/zinc/45/36/67/357453667.db2.gz PUSPIEKCVLGYRG-CHWSQXEVSA-N 0 1 266.297 0.831 20 5 CCBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3c[nH]nn3)C2)nc1 ZINC000450562331 236096014 /nfs/dbraw/zinc/09/60/14/236096014.db2.gz GOTHOBGHZYJZHL-VIFPVBQESA-N 0 1 289.299 0.794 20 5 CCBDMN COC1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000408074853 357905113 /nfs/dbraw/zinc/90/51/13/357905113.db2.gz RNQIKSYXZDKPSU-UHFFFAOYSA-N 0 1 268.273 0.877 20 5 CCBDMN [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000592330719 359819299 /nfs/dbraw/zinc/81/92/99/359819299.db2.gz BWSIHZCQHDAAIX-JGVFFNPUSA-N 0 1 280.284 0.695 20 5 CCBDMN O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592338477 359821503 /nfs/dbraw/zinc/82/15/03/359821503.db2.gz VQYWWQUNOATJAK-SNVBAGLBSA-N 0 1 292.295 0.567 20 5 CCBDMN C[C@@H]1SCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592904526 359973861 /nfs/dbraw/zinc/97/38/61/359973861.db2.gz RQYMJUSXEXKMIP-WDSKDSINSA-N 0 1 256.287 0.942 20 5 CCBDMN C[C@H]1SCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592904524 359974063 /nfs/dbraw/zinc/97/40/63/359974063.db2.gz RQYMJUSXEXKMIP-PHDIDXHHSA-N 0 1 256.287 0.942 20 5 CCBDMN C[C@]1(C(=O)[O-])CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000593745857 360146627 /nfs/dbraw/zinc/14/66/27/360146627.db2.gz AAYGQRLNXOPHCR-LLVKDONJSA-N 0 1 268.273 0.730 20 5 CCBDMN COC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000593810607 360162718 /nfs/dbraw/zinc/16/27/18/360162718.db2.gz NMOFKOLQMHBMCA-CMPLNLGQSA-N 0 1 296.279 0.522 20 5 CCBDMN CN1CCC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000594282924 360268538 /nfs/dbraw/zinc/26/85/38/360268538.db2.gz CCHZYFUPEZMPNK-QMMMGPOBSA-N 0 1 279.300 0.226 20 5 CCBDMN CC(C)(CO)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000594378225 360287570 /nfs/dbraw/zinc/28/75/70/360287570.db2.gz MKVLLCHFRIHZRA-SNVBAGLBSA-N 0 1 282.300 0.845 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000594744732 360373359 /nfs/dbraw/zinc/37/33/59/360373359.db2.gz NKTBJFSTJJVKJM-QMMMGPOBSA-N 0 1 287.297 0.447 20 5 CCBDMN COC[C@H](C)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594750690 360376216 /nfs/dbraw/zinc/37/62/16/360376216.db2.gz NBHZUMKEEVKOSB-MRVPVSSYSA-N 0 1 289.313 0.551 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC1CCC1 ZINC000594782964 360382879 /nfs/dbraw/zinc/38/28/79/360382879.db2.gz VSIGWAQMXVCXMH-UHFFFAOYSA-N 0 1 257.271 0.821 20 5 CCBDMN CCN(CC(=O)N(C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611553826 363738208 /nfs/dbraw/zinc/73/82/08/363738208.db2.gz IJKBVLZSVPRGBL-UHFFFAOYSA-N 0 1 295.295 0.851 20 5 CCBDMN COCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000179643149 189209840 /nfs/dbraw/zinc/20/98/40/189209840.db2.gz QSPANHSFPKFQRZ-UHFFFAOYSA-N 0 1 260.271 0.983 20 5 CCBDMN CCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@@H]1CCN(C)C1 ZINC000597945557 361288714 /nfs/dbraw/zinc/28/87/14/361288714.db2.gz ICGZIRBFTUWFRZ-SNVBAGLBSA-N 0 1 295.343 0.803 20 5 CCBDMN CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597947448 361288821 /nfs/dbraw/zinc/28/88/21/361288821.db2.gz YPMKGSDXQZBSGL-QMMMGPOBSA-N 0 1 267.289 0.484 20 5 CCBDMN CC1(C)C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CO1 ZINC000597863790 361272482 /nfs/dbraw/zinc/27/24/82/361272482.db2.gz IMEWJSDCNGWXCA-LURJTMIESA-N 0 1 254.246 0.615 20 5 CCBDMN C[C@@H]1CN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000597997092 361304934 /nfs/dbraw/zinc/30/49/34/361304934.db2.gz LBKPUDYPUGIKRW-DTWKUNHWSA-N 0 1 297.315 0.157 20 5 CCBDMN COC(=O)C12CC(C1)CN2C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000598059683 361327957 /nfs/dbraw/zinc/32/79/57/361327957.db2.gz SCHJTSSVRIMXIY-UHFFFAOYSA-N 0 1 294.267 0.404 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000598161286 361346531 /nfs/dbraw/zinc/34/65/31/361346531.db2.gz PYXCQVHGHREOTO-UHFFFAOYSA-N 0 1 279.300 0.036 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2[C@H](C)O)c1[N+](=O)[O-] ZINC000598237128 361361056 /nfs/dbraw/zinc/36/10/56/361361056.db2.gz KONUNXHSIMRLRV-IONNQARKSA-N 0 1 282.300 0.866 20 5 CCBDMN C[C@H](C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1)C(=O)[O-] ZINC000564575870 291286639 /nfs/dbraw/zinc/28/66/39/291286639.db2.gz HSBWRITXXLKOAC-SECBINFHSA-N 0 1 282.300 0.976 20 5 CCBDMN C[C@@H]1[C@H](C)N(c2ncc([N+](=O)[O-])cn2)CCN1C ZINC000612794048 364013212 /nfs/dbraw/zinc/01/32/12/364013212.db2.gz WYCJOICYEFCGNJ-BDAKNGLRSA-N 0 1 251.290 0.914 20 5 CCBDMN COCCCN(CCO)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000276058397 193200811 /nfs/dbraw/zinc/20/08/11/193200811.db2.gz UYTIRWXBMRJYFL-UHFFFAOYSA-N 0 1 298.295 0.771 20 5 CCBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN([C@@H]3COC[C@H]3O)C2)nc1 ZINC000463092262 249081354 /nfs/dbraw/zinc/08/13/54/249081354.db2.gz WVRCMUFVYQTKJQ-MVWJERBFSA-N 0 1 294.311 0.236 20 5 CCBDMN CC(C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ncon1 ZINC000278785821 194154977 /nfs/dbraw/zinc/15/49/77/194154977.db2.gz ZHIDUSGSDCTCEE-SSDOTTSWSA-N 0 1 280.244 0.828 20 5 CCBDMN Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n[nH]1 ZINC000288262738 197038898 /nfs/dbraw/zinc/03/88/98/197038898.db2.gz PJFYJTNBUUOZSM-RXMQYKEDSA-N 0 1 292.255 0.613 20 5 CCBDMN CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000183983146 388766984 /nfs/dbraw/zinc/76/69/84/388766984.db2.gz RWKYBZVINXKVDD-UHFFFAOYSA-N 0 1 296.327 0.342 20 5 CCBDMN CC[N@@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000183985250 388767487 /nfs/dbraw/zinc/76/74/87/388767487.db2.gz DGKFHNKJJQARDJ-UHFFFAOYSA-N 0 1 287.341 0.700 20 5 CCBDMN Nc1nc(N2CCC(c3nc[nH]n3)CC2)ncc1[N+](=O)[O-] ZINC000301557740 389053865 /nfs/dbraw/zinc/05/38/65/389053865.db2.gz HYDAWVJWTXUFLG-UHFFFAOYSA-N 0 1 290.287 0.469 20 5 CCBDMN COC(=O)[C@H]1CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000211622498 389131836 /nfs/dbraw/zinc/13/18/36/389131836.db2.gz WTNRNQSOBXIVTP-SSDOTTSWSA-N 0 1 282.256 0.404 20 5 CCBDMN O=C1CCCN1[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000340998409 389177763 /nfs/dbraw/zinc/17/77/63/389177763.db2.gz NAPWFSOWLZNDCP-LLVKDONJSA-N 0 1 293.327 0.488 20 5 CCBDMN COCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC000331126388 389299819 /nfs/dbraw/zinc/29/98/19/389299819.db2.gz BQTDHJSBCSYQII-VIFPVBQESA-N 0 1 298.299 0.504 20 5 CCBDMN CN1CCN(C)[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264726981 389350375 /nfs/dbraw/zinc/35/03/75/389350375.db2.gz PYQSZSVNUZHVNZ-CYBMUJFWSA-N 0 1 292.339 0.570 20 5 CCBDMN NC(=O)[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272484494 389468794 /nfs/dbraw/zinc/46/87/94/389468794.db2.gz GJLICTGIGDMAMS-SSDOTTSWSA-N 0 1 279.252 0.248 20 5 CCBDMN C[N@H+]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000170980752 389470004 /nfs/dbraw/zinc/47/00/04/389470004.db2.gz KIMPARHWCRLSLK-SNVBAGLBSA-N 0 1 281.316 0.249 20 5 CCBDMN COc1cc(C(=O)N2CCNCC2)cc([N+](=O)[O-])c1C ZINC000422709089 389455789 /nfs/dbraw/zinc/45/57/89/389455789.db2.gz YQZMTQPKJOIESP-UHFFFAOYSA-N 0 1 279.296 0.957 20 5 CCBDMN C[C@H](O)CN1CCN(c2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000277878765 389557478 /nfs/dbraw/zinc/55/74/78/389557478.db2.gz VUZMJORATGHSSP-ZJUUUORDSA-N 0 1 283.332 0.220 20 5 CCBDMN C[C@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000374614616 389593847 /nfs/dbraw/zinc/59/38/47/389593847.db2.gz VNZAQFBLTNWKNX-BFLSOPEQSA-N 0 1 254.286 0.725 20 5 CCBDMN COc1cc(CN(CCO)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000351937110 389719525 /nfs/dbraw/zinc/71/95/25/389719525.db2.gz NFXYEMPYWNNJNE-SNVBAGLBSA-N 0 1 284.312 0.779 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)Cc2cc[nH]n2)c1[N+](=O)[O-] ZINC000351850427 389697844 /nfs/dbraw/zinc/69/78/44/389697844.db2.gz SBWSQYKCMASDSZ-UHFFFAOYSA-N 0 1 278.272 0.876 20 5 CCBDMN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCCN1C ZINC000352105787 389753917 /nfs/dbraw/zinc/75/39/17/389753917.db2.gz VSBHTYYSHDKTRV-LDYMZIIASA-N 0 1 293.327 0.785 20 5 CCBDMN CCc1n[nH]c(C(=O)NC(C)(C)c2nn[nH]n2)c1[N+](=O)[O-] ZINC000444298856 389900393 /nfs/dbraw/zinc/90/03/93/389900393.db2.gz QCZKFSABGCUGTC-UHFFFAOYSA-N 0 1 294.275 0.059 20 5 CCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[NH2+]C2)s1 ZINC000440839188 390045644 /nfs/dbraw/zinc/04/56/44/390045644.db2.gz ZTQRBOFIALNONC-ZETCQYMHSA-N 0 1 291.354 0.544 20 5 CCBDMN O=C(c1ccn[nH]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000540877911 390224879 /nfs/dbraw/zinc/22/48/79/390224879.db2.gz IKLISTDKYFWSNA-UHFFFAOYSA-N 0 1 273.252 0.911 20 5 CCBDMN CN(C)C(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496037274 390286212 /nfs/dbraw/zinc/28/62/12/390286212.db2.gz VKRPLDYKTYSMFB-GMTAPVOTSA-N 0 1 299.327 0.731 20 5 CCBDMN CC(C)(C)OC(=O)N1CC(OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000496778131 390362317 /nfs/dbraw/zinc/36/23/17/390362317.db2.gz OUNFRKIPHDQAJN-RKDXNWHRSA-N 0 1 286.284 0.814 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](CO)[C@@H](O)C1 ZINC000555669734 390462583 /nfs/dbraw/zinc/46/25/83/390462583.db2.gz APOKZBMMTFOCAY-YPMHNXCESA-N 0 1 296.323 0.649 20 5 CCBDMN O=C(Nc1ccc2[nH]nnc2c1)c1c[nH]nc1[N+](=O)[O-] ZINC000566833792 390651621 /nfs/dbraw/zinc/65/16/21/390651621.db2.gz URWJANKTLYSDFD-UHFFFAOYSA-N 0 1 273.212 0.842 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCCN1CC=CCC1 ZINC000527269390 390699308 /nfs/dbraw/zinc/69/93/08/390699308.db2.gz JIFDVJOKQKOTQU-UHFFFAOYSA-N 0 1 278.312 0.925 20 5 CCBDMN CSCC[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000361665736 533643654 /nfs/dbraw/zinc/64/36/54/533643654.db2.gz YRFZLUHTSMWWPV-ZCFIWIBFSA-N 0 1 274.302 0.162 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](CO)[C@H]2C)c1[N+](=O)[O-] ZINC000427848925 533662769 /nfs/dbraw/zinc/66/27/69/533662769.db2.gz YGWMZZFGMDTJSX-HTQZYQBOSA-N 0 1 268.273 0.469 20 5 CCBDMN Cc1nc(CCNc2nccc(C(N)=O)c2[N+](=O)[O-])n[nH]1 ZINC000357505275 144097446 /nfs/dbraw/zinc/09/74/46/144097446.db2.gz AWUCTJUAUMKDOW-UHFFFAOYSA-N 0 1 291.271 0.170 20 5 CCBDMN Cc1nnc(CCNc2nccc(C(N)=O)c2[N+](=O)[O-])[nH]1 ZINC000357505275 144097447 /nfs/dbraw/zinc/09/74/47/144097447.db2.gz AWUCTJUAUMKDOW-UHFFFAOYSA-N 0 1 291.271 0.170 20 5 CCBDMN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000357950810 144136162 /nfs/dbraw/zinc/13/61/62/144136162.db2.gz WCPUSXOYPHDPLB-JTQLQIEISA-N 0 1 293.327 0.637 20 5 CCBDMN COc1ccc(CNC(=O)c2ncn[nH]2)cc1[N+](=O)[O-] ZINC000358433977 144156495 /nfs/dbraw/zinc/15/64/95/144156495.db2.gz NOQHBEAKZIJNRC-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN COc1ccc(CNC(=O)c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000358433977 144156496 /nfs/dbraw/zinc/15/64/96/144156496.db2.gz NOQHBEAKZIJNRC-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371362511 144328525 /nfs/dbraw/zinc/32/85/25/144328525.db2.gz WPKFUTOXHXCEBK-MRVPVSSYSA-N 0 1 290.283 0.188 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1[C@H]1CCCCC1=O ZINC000371898636 144347587 /nfs/dbraw/zinc/34/75/87/144347587.db2.gz GMNXPYVYWSZIRX-KKOKHZNYSA-N 0 1 296.323 0.638 20 5 CCBDMN O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000372744038 144379902 /nfs/dbraw/zinc/37/99/02/144379902.db2.gz SZXMMKOWVOXYSO-NQMVMOMDSA-N 0 1 250.258 0.048 20 5 CCBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1nn[nH]n1 ZINC000044927497 411631937 /nfs/dbraw/zinc/63/19/37/411631937.db2.gz NMUBAGFRUDLPDG-UHFFFAOYSA-N 0 1 294.296 0.516 20 5 CCBDMN COCCN1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285058982 196187353 /nfs/dbraw/zinc/18/73/53/196187353.db2.gz KKVWDXWJBZARGJ-UHFFFAOYSA-N 0 1 297.315 0.112 20 5 CCBDMN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237062967 269752772 /nfs/dbraw/zinc/75/27/72/269752772.db2.gz DYNHYABXVOGDTM-SSDOTTSWSA-N 0 1 293.370 0.790 20 5 CCBDMN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000574277731 327308239 /nfs/dbraw/zinc/30/82/39/327308239.db2.gz ZXHWVHOHYUBMND-QMMMGPOBSA-N 0 1 288.329 0.124 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000576036966 335143836 /nfs/dbraw/zinc/14/38/36/335143836.db2.gz CWXVROXBCOXWSN-DTWKUNHWSA-N 0 1 292.295 0.377 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[NH2+]1 ZINC000566188043 334633823 /nfs/dbraw/zinc/63/38/23/334633823.db2.gz FBSUQRVBGHVYMC-SSDOTTSWSA-N 0 1 266.257 0.129 20 5 CCBDMN Cn1ccnc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428031622 534790190 /nfs/dbraw/zinc/79/01/90/534790190.db2.gz LWSZOTWRLSTGNX-UHFFFAOYSA-N 0 1 276.252 0.964 20 5 CCBDMN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)N1 ZINC000070076247 524536288 /nfs/dbraw/zinc/53/62/88/524536288.db2.gz GJVBJJLRLKLXAN-YUMQZZPRSA-N 0 1 252.274 0.745 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000268778658 535997553 /nfs/dbraw/zinc/99/75/53/535997553.db2.gz ZXVUABVMFVKYTB-ZETCQYMHSA-N 0 1 268.273 0.741 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000269106855 535999535 /nfs/dbraw/zinc/99/95/35/535999535.db2.gz QMORAJCDWAMWHK-MRVPVSSYSA-N 0 1 282.300 0.725 20 5 CCBDMN Nc1c(C(=O)Nc2c[nH]nn2)cc(F)cc1[N+](=O)[O-] ZINC000789926550 581164352 /nfs/dbraw/zinc/16/43/52/581164352.db2.gz CJTUAOQBAHDPIL-UHFFFAOYSA-N 0 1 266.192 0.687 20 5 CCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)OCc1c[nH]nn1 ZINC000735093579 581618462 /nfs/dbraw/zinc/61/84/62/581618462.db2.gz JSCHYNHWCVHYQX-UHFFFAOYSA-N 0 1 266.217 0.043 20 5 CCBDMN CC(C)[N@H+](CCC(=O)[O-])Cn1nccc1[N+](=O)[O-] ZINC000736468326 581773197 /nfs/dbraw/zinc/77/31/97/581773197.db2.gz MVFSTISWDFZJGT-UHFFFAOYSA-N 0 1 256.262 0.934 20 5 CCBDMN CC(C)[N@@H+](CCC(=O)[O-])Cn1nccc1[N+](=O)[O-] ZINC000736468326 581773200 /nfs/dbraw/zinc/77/32/00/581773200.db2.gz MVFSTISWDFZJGT-UHFFFAOYSA-N 0 1 256.262 0.934 20 5 CCBDMN CCOCCONC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000775239275 582015910 /nfs/dbraw/zinc/01/59/10/582015910.db2.gz WWFIKLQQSMUOGZ-UHFFFAOYSA-N 0 1 270.241 0.998 20 5 CCBDMN CO[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F ZINC000764241447 582039577 /nfs/dbraw/zinc/03/95/77/582039577.db2.gz BLYBFYAENZXVTH-YFKPBYRVSA-N 0 1 282.178 0.625 20 5 CCBDMN O=C([O-])[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000819287051 601376119 /nfs/dbraw/zinc/37/61/19/601376119.db2.gz PVPHFIJZYCEBAF-MRVPVSSYSA-N 0 1 254.246 0.198 20 5 CCBDMN C[C@@H]1[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C(=O)[O-] ZINC000833830734 606041443 /nfs/dbraw/zinc/04/14/43/606041443.db2.gz XGZHQJQHAYZKIB-NXEZZACHSA-N 0 1 297.315 0.864 20 5 CCBDMN C[C@@H]1[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C(=O)[O-] ZINC000833830734 606041449 /nfs/dbraw/zinc/04/14/49/606041449.db2.gz XGZHQJQHAYZKIB-NXEZZACHSA-N 0 1 297.315 0.864 20 5 CCBDMN COc1cc([N+](=O)[O-])cnc1N(C)CC1CN(C)C1 ZINC000894540317 617217575 /nfs/dbraw/zinc/21/75/75/617217575.db2.gz HPKJYMSUVLBEAR-UHFFFAOYSA-N 0 1 266.301 0.996 20 5 CCBDMN COc1cccc2c1OC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000840319228 617311840 /nfs/dbraw/zinc/31/18/40/617311840.db2.gz OCHCCOXIOLOTAB-HBNTYKKESA-N 0 1 292.291 0.780 20 5 CCBDMN C/C=C\C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OCC ZINC000840421753 613205742 /nfs/dbraw/zinc/20/57/42/613205742.db2.gz XGLFOLUDJCPICM-IVSNHLPUSA-N 0 1 270.285 0.666 20 5 CCBDMN CC(C)C(=O)NC[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791053589 613912786 /nfs/dbraw/zinc/91/27/86/613912786.db2.gz ULYSTABDYLDURG-LLVKDONJSA-N 0 1 257.334 0.747 20 5 CCBDMN CC(C)(C)NC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839728039 613949192 /nfs/dbraw/zinc/94/91/92/613949192.db2.gz JZRACLKQMCNXAU-NXEZZACHSA-N 0 1 298.343 0.304 20 5 CCBDMN CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000928727306 613950855 /nfs/dbraw/zinc/95/08/55/613950855.db2.gz KSFPZJCDBRMSPU-KXUCPTDWSA-N 0 1 283.328 0.557 20 5 CCBDMN CC/C=C\[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000851336434 614419550 /nfs/dbraw/zinc/41/95/50/614419550.db2.gz WCGNCRYGQJTYLB-LBCMHUIZSA-N 0 1 257.242 0.703 20 5 CCBDMN CCN(C(=O)CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000927686292 614592883 /nfs/dbraw/zinc/59/28/83/614592883.db2.gz XTHQYGHMYMHATC-VXGBXAGGSA-N 0 1 291.307 0.821 20 5 CCBDMN CCC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839718110 614697002 /nfs/dbraw/zinc/69/70/02/614697002.db2.gz NFKUDYJGMXHGJV-NXEZZACHSA-N 0 1 256.302 0.663 20 5 CCBDMN CCC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1nn[nH]n1 ZINC000826937230 614989878 /nfs/dbraw/zinc/98/98/78/614989878.db2.gz GVZXOGZTHCZLPF-MRVPVSSYSA-N 0 1 284.320 0.993 20 5 CCBDMN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@]12CCCO2 ZINC000839727229 615433256 /nfs/dbraw/zinc/43/32/56/615433256.db2.gz YWWYMGZVNWUADG-CJJWORHMSA-N 0 1 284.312 0.494 20 5 CCBDMN CCNC(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839736199 615454931 /nfs/dbraw/zinc/45/49/31/615454931.db2.gz HZQWDODYIDTJPU-RKDXNWHRSA-N 0 1 269.301 0.074 20 5 CCBDMN CCO[C@]12CCC[C@@]1(NC(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000889807567 615503248 /nfs/dbraw/zinc/50/32/48/615503248.db2.gz JGZZQWLNPBXUBS-WFFHOREQSA-N 0 1 284.312 0.844 20 5 CCBDMN CCn1ccnc1[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000857282014 615618795 /nfs/dbraw/zinc/61/87/95/615618795.db2.gz ZTOBJFDEENTTJI-DJLDLDEBSA-N 0 1 252.274 0.745 20 5 CCBDMN CCc1nc([C@@H](C)OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 ZINC000849806159 615754614 /nfs/dbraw/zinc/75/46/14/615754614.db2.gz DYXAYVLNCXKAIB-FSDSQADBSA-N 0 1 254.246 0.637 20 5 CCBDMN CN(C(=O)C1CCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953472727 615801071 /nfs/dbraw/zinc/80/10/71/615801071.db2.gz BNALLYJHWWZCQN-GHMZBOCLSA-N 0 1 281.312 0.121 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)/C=C/C2CC2)C1 ZINC000954240015 615867364 /nfs/dbraw/zinc/86/73/64/615867364.db2.gz KEZHRXXXEINHKG-GKUNOOHESA-N 0 1 293.323 0.287 20 5 CCBDMN CN(C(=O)c1ccco1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953552778 615910350 /nfs/dbraw/zinc/91/03/50/615910350.db2.gz QIAPAAIMNNYLCB-NXEZZACHSA-N 0 1 293.279 0.228 20 5 CCBDMN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839701688 616017559 /nfs/dbraw/zinc/01/75/59/616017559.db2.gz PVYKQWTWZUIFRL-HODNOUTASA-N 0 1 288.369 0.848 20 5 CCBDMN C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000130181426 616068636 /nfs/dbraw/zinc/06/86/36/616068636.db2.gz NSYOPGQYDJIFHY-UHFFFAOYSA-N 0 1 281.268 0.940 20 5 CCBDMN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1COC[C@H]1O ZINC000886515455 616133047 /nfs/dbraw/zinc/13/30/47/616133047.db2.gz GYYQDYMUQZGQLO-JHJVBQTASA-N 0 1 282.296 0.320 20 5 CCBDMN COC(=O)[C@H]1[C@@H]2CN(CCn3c(C)ncc3[N+](=O)[O-])C[C@@H]21 ZINC000878642750 616525534 /nfs/dbraw/zinc/52/55/34/616525534.db2.gz ZGHRCBCYLIMUIH-IAZYJMLFSA-N 0 1 294.311 0.451 20 5 CCBDMN COC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000874529563 616577579 /nfs/dbraw/zinc/57/75/79/616577579.db2.gz VQGLSDMFPJDWBB-GMTAPVOTSA-N 0 1 284.312 0.843 20 5 CCBDMN COC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000842325010 616928891 /nfs/dbraw/zinc/92/88/91/616928891.db2.gz JSGRIVYEZUNFOX-HSUXUTPPSA-N 0 1 257.164 0.772 20 5 CCBDMN C[C@]12CSC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000891177463 624745455 /nfs/dbraw/zinc/74/54/55/624745455.db2.gz IFAFFOGZORHDFZ-CDLYGTGVSA-N 0 1 256.327 0.863 20 5 CCBDMN O=[N+]([O-])CCNCc1ccnc(N2CCOCC2)c1 ZINC000905037797 634780652 /nfs/dbraw/zinc/78/06/52/634780652.db2.gz MJFDRGLZQPHRJZ-UHFFFAOYSA-N 0 1 266.301 0.285 20 5 CCBDMN O=[N+]([O-])CCNC[C@@H](N1CCOCC1)C(F)(F)F ZINC000905257623 634828843 /nfs/dbraw/zinc/82/88/43/634828843.db2.gz SFWUDZDNQFCWKP-MRVPVSSYSA-N 0 1 271.239 0.116 20 5 CCBDMN O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC000979374624 630915362 /nfs/dbraw/zinc/91/53/62/630915362.db2.gz VKCHTDBPBIXRTA-QCNRFFRDSA-N 0 1 281.312 0.073 20 5 CCBDMN Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC000840671921 631673103 /nfs/dbraw/zinc/67/31/03/631673103.db2.gz FZLDUIXDWQVJJM-BWZBUEFSSA-N 0 1 283.240 0.518 20 5 CCBDMN C[C@@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895249113 632035428 /nfs/dbraw/zinc/03/54/28/632035428.db2.gz OSYMCOZSNXHPOB-KOLCDFICSA-N 0 1 295.343 0.742 20 5 CCBDMN Nc1ccc(C(=O)NCc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000088752821 632566183 /nfs/dbraw/zinc/56/61/83/632566183.db2.gz GIOQUDJOLQAUNV-UHFFFAOYSA-N 0 1 261.241 0.830 20 5 CCBDMN Cc1ccc([C@H](CNCC[N+](=O)[O-])N2CCOCC2)o1 ZINC000899864619 633911066 /nfs/dbraw/zinc/91/10/66/633911066.db2.gz KCVFMQXCGWUVJZ-LBPRGKRZSA-N 0 1 283.328 0.828 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H](N2CCC2)C1 ZINC000912908951 636696833 /nfs/dbraw/zinc/69/68/33/636696833.db2.gz QNTUKQAAVRHYAF-QMMMGPOBSA-N 0 1 265.273 0.238 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(Cc2cncs2)CC1 ZINC000913410127 636804327 /nfs/dbraw/zinc/80/43/27/636804327.db2.gz ZLKHCNGOZOPMIF-GHMZBOCLSA-N 0 1 296.352 0.453 20 5 CCBDMN O=[N+]([O-])c1ccnn1CN1CC[C@H](CN2CCOCC2)C1 ZINC000172935697 637199680 /nfs/dbraw/zinc/19/96/80/637199680.db2.gz DERSATCVHKBOHK-GFCCVEGCSA-N 0 1 295.343 0.403 20 5 CCBDMN Cn1c(=O)oc2c1cccc2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839712575 640356553 /nfs/dbraw/zinc/35/65/53/640356553.db2.gz JHQLBWIGOSPXFH-HZGVNTEJSA-N 0 1 277.236 0.735 20 5 CCBDMN CN(C[C@H](O)C(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839718342 640357302 /nfs/dbraw/zinc/35/73/02/640357302.db2.gz ITMILEBBVVBIHE-PBXRRBTRSA-N 0 1 256.180 0.033 20 5 CCBDMN Cc1ccccc1[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839723314 640357707 /nfs/dbraw/zinc/35/77/07/640357707.db2.gz HNTNYEWWZNJPAO-GRYCIOLGSA-N 0 1 264.281 0.810 20 5 CCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000839746951 640361227 /nfs/dbraw/zinc/36/12/27/640361227.db2.gz CQGLWAWYKMGNSP-XNDJQWLSSA-N 0 1 270.285 0.058 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2ccnc(F)c2)CC1 ZINC000839783632 640364780 /nfs/dbraw/zinc/36/47/80/640364780.db2.gz SRPXIMPYAPZBRJ-GHMZBOCLSA-N 0 1 294.286 0.535 20 5 CCBDMN C[C@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CNC(=O)C1 ZINC000802202415 640691496 /nfs/dbraw/zinc/69/14/96/640691496.db2.gz OCPSLJLALQSTJL-LLVKDONJSA-N 0 1 267.241 0.606 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC000840401505 641456128 /nfs/dbraw/zinc/45/61/28/641456128.db2.gz LADABKGBSKUONL-YUSALJHKSA-N 0 1 276.292 0.968 20 5 CCBDMN O=C(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccs1 ZINC000840406745 641537934 /nfs/dbraw/zinc/53/79/34/641537934.db2.gz WRGDAWJXRQDEMV-RNFRBKRXSA-N 0 1 254.267 0.712 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCC[C@@H]1CCO ZINC000840446375 641577868 /nfs/dbraw/zinc/57/78/68/641577868.db2.gz QWMDRXBJEJXZBE-GMTAPVOTSA-N 0 1 256.302 0.805 20 5 CCBDMN O=C(NCC1OCCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000832779969 642524743 /nfs/dbraw/zinc/52/47/43/642524743.db2.gz QQKOJGULBWVVQI-UHFFFAOYSA-N 0 1 282.252 0.793 20 5 CCBDMN C[C@H]1CCCCN1C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672234 642784584 /nfs/dbraw/zinc/78/45/84/642784584.db2.gz HDLISTOBUGXTLI-IVZWLZJFSA-N 0 1 270.285 0.596 20 5 CCBDMN C[C@H]1CCCN(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840673015 642786519 /nfs/dbraw/zinc/78/65/19/642786519.db2.gz VPRLEOOTVFZMSC-IVZWLZJFSA-N 0 1 270.285 0.453 20 5 CCBDMN C[C@H](C[NH3+])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842762033 642945645 /nfs/dbraw/zinc/94/56/45/642945645.db2.gz FHQBUZQZCAIUFF-ZCFIWIBFSA-N 0 1 293.732 0.874 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1CCC=CO1 ZINC000849387446 643736075 /nfs/dbraw/zinc/73/60/75/643736075.db2.gz MAIZFTWTSVHTKW-SECBINFHSA-N 0 1 299.308 0.961 20 5 CCBDMN O=C(C1CC1)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001018661142 650894357 /nfs/dbraw/zinc/89/43/57/650894357.db2.gz LTVNDMHLDHATJN-GHMZBOCLSA-N 0 1 293.323 0.123 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(N2CCOC2=O)CC1 ZINC000856299508 644409142 /nfs/dbraw/zinc/40/91/42/644409142.db2.gz NUQNNDHKGQNBMD-NXEZZACHSA-N 0 1 283.284 0.095 20 5 CCBDMN C[C@@H](O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000856432153 644418318 /nfs/dbraw/zinc/41/83/18/644418318.db2.gz WZBBQDLZKTZGGB-HKWIRBFKSA-N 0 1 264.281 0.890 20 5 CCBDMN O=C(N[C@H](C1CCC1)[C@H]1CCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000871308822 646127441 /nfs/dbraw/zinc/12/74/41/646127441.db2.gz ALLLONMWRRFRHV-IRCOFANPSA-N 0 1 268.313 0.973 20 5 CCBDMN Cc1ccc(CN(CCO)CCOCCO)cc1[N+](=O)[O-] ZINC000878705400 646963205 /nfs/dbraw/zinc/96/32/05/646963205.db2.gz WKIRZDDNRXPACE-UHFFFAOYSA-N 0 1 298.339 0.706 20 5 CCBDMN C[S@](=O)CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000879270837 647041404 /nfs/dbraw/zinc/04/14/04/647041404.db2.gz BFYIMNZXTTXIRM-BUXKBTBVSA-N 0 1 286.353 0.770 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000880420075 647198852 /nfs/dbraw/zinc/19/88/52/647198852.db2.gz XGBBMQWWZVCQHB-UHTWSYAYSA-N 0 1 264.281 0.695 20 5 CCBDMN O=C(NC1(c2ncccn2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000882003522 647362479 /nfs/dbraw/zinc/36/24/79/647362479.db2.gz JPMZBXUDXRCTQX-RKDXNWHRSA-N 0 1 262.269 0.637 20 5 CCBDMN O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000882554618 647418120 /nfs/dbraw/zinc/41/81/20/647418120.db2.gz NFXMYRLQIYDYDT-UOWFLXDJSA-N 0 1 292.160 0.326 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C2CCC2)CC1 ZINC000884976221 647819466 /nfs/dbraw/zinc/81/94/66/647819466.db2.gz XNEYVLJFIZSPJQ-GHMZBOCLSA-N 0 1 268.313 0.805 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(=O)NC[C@@H]1c1ccccc1 ZINC000886845381 648024287 /nfs/dbraw/zinc/02/42/87/648024287.db2.gz GAOGPYHKISCORR-IJLUTSLNSA-N 0 1 289.291 0.351 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCCNC(=O)CC1 ZINC000889433124 648207587 /nfs/dbraw/zinc/20/75/87/648207587.db2.gz QVNQNCZAWMDKIY-NXEZZACHSA-N 0 1 269.301 0.170 20 5 CCBDMN CN1CC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000928567425 648651322 /nfs/dbraw/zinc/65/13/22/648651322.db2.gz WIAPPCNOHBZIGE-VIFPVBQESA-N 0 1 267.289 0.002 20 5 CCBDMN Nc1ncc(C(=O)N2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000929079188 648699480 /nfs/dbraw/zinc/69/94/80/648699480.db2.gz DIXTWLNPNSYWDK-UHFFFAOYSA-N 0 1 288.267 0.494 20 5 CCBDMN O=C([C@H]1CCCN(CC[N+](=O)[O-])C1)N1CCCC1 ZINC000929623608 648769057 /nfs/dbraw/zinc/76/90/57/648769057.db2.gz KBACHSASXOKBIV-NSHDSACASA-N 0 1 255.318 0.598 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1C1OCCO1 ZINC000933895849 649146532 /nfs/dbraw/zinc/14/65/32/649146532.db2.gz JPEQNEVSJDYUCL-NSHDSACASA-N 0 1 296.327 0.937 20 5 CCBDMN O=C(NCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC000948929612 649402855 /nfs/dbraw/zinc/40/28/55/649402855.db2.gz ZFJJRWRTVNVQHD-VXGBXAGGSA-N 0 1 295.339 0.416 20 5 CCBDMN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N)[nH]1 ZINC000191068959 649466584 /nfs/dbraw/zinc/46/65/84/649466584.db2.gz OPUAVDTYQWFKLS-UHFFFAOYSA-N 0 1 262.229 0.856 20 5 CCBDMN Cc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2N)n1 ZINC000191068959 649466587 /nfs/dbraw/zinc/46/65/87/649466587.db2.gz OPUAVDTYQWFKLS-UHFFFAOYSA-N 0 1 262.229 0.856 20 5 CCBDMN COc1cc(N2C[C@H]3OCCN(C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164664346 719387588 /nfs/dbraw/zinc/38/75/88/719387588.db2.gz BHLHAXWNEACCPP-CMPLNLGQSA-N 0 1 294.311 0.518 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(OC[C@@H]2COC(=O)O2)n1 ZINC001231261129 805763441 /nfs/dbraw/zinc/76/34/41/805763441.db2.gz YQVWAPPDZKWULM-ZCFIWIBFSA-N 0 1 270.197 0.918 20 5 CCBDMN COC(=O)c1nc(C)[n-]c(=O)c1O[C@@H](C)C[N+](C)(C)C ZINC001234564062 806273765 /nfs/dbraw/zinc/27/37/65/806273765.db2.gz FFCBEGMVLRCPFT-QMMMGPOBSA-O 0 1 284.336 0.751 20 5 CCBDMN C[C@H]1CN2CCN1C[C@@H]2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001123472667 799415836 /nfs/dbraw/zinc/41/58/36/799415836.db2.gz GYNHJVSTJZCUNL-GXFFZTMASA-N 0 1 290.323 0.922 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nnc2n1CCC2 ZINC001142056965 800063335 /nfs/dbraw/zinc/06/33/35/800063335.db2.gz JQBZEADRNSNGDK-BWZBUEFSSA-N 0 1 265.273 0.067 20 5 CCBDMN Cc1ncc([N+](=O)[O-])c(-n2c(CN)nc3cnccc32)n1 ZINC001162216089 802291721 /nfs/dbraw/zinc/29/17/21/802291721.db2.gz XLDLORDOYRFXDY-UHFFFAOYSA-N 0 1 285.267 0.886 20 5 CCBDMN Cc1[nH]ncc1CN(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001162889848 802433119 /nfs/dbraw/zinc/43/31/19/802433119.db2.gz BYPOBDQYKHUOOP-UHFFFAOYSA-N 0 1 278.272 0.632 20 5 CCBDMN O=[N+]([O-])c1cnc(NCc2noc3c2CNCC3)nc1 ZINC001163124369 802487498 /nfs/dbraw/zinc/48/74/98/802487498.db2.gz LXZLUIUXWQVVSR-UHFFFAOYSA-N 0 1 276.256 0.631 20 5 CCBDMN COc1cc(C)nc(-n2c(C)nnc2CN)c1[N+](=O)[O-] ZINC001163348866 802542897 /nfs/dbraw/zinc/54/28/97/802542897.db2.gz XPHXNNYLSMAELE-UHFFFAOYSA-N 0 1 278.272 0.655 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2ncnc3[nH]cc([N+](=O)[O-])c32)S1 ZINC001163662303 802585411 /nfs/dbraw/zinc/58/54/11/802585411.db2.gz MUJDOBKQXCKEDN-MRVPVSSYSA-N 0 1 294.252 0.587 20 5 CCBDMN CN(C1CN(c2cc(N)c([N+](=O)[O-])cn2)C1)[C@@H]1CCOC1 ZINC001165205894 802796663 /nfs/dbraw/zinc/79/66/63/802796663.db2.gz XGUCICZKNYGQSI-SECBINFHSA-N 0 1 293.327 0.481 20 5 CCBDMN COc1ncnc(N2CC[C@@H](N)C(F)(F)C2)c1[N+](=O)[O-] ZINC001166962206 802996614 /nfs/dbraw/zinc/99/66/14/802996614.db2.gz UNVDEOYSVHBYPN-ZCFIWIBFSA-N 0 1 289.242 0.566 20 5 CCBDMN C[C@@H](CON)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094923 805321421 /nfs/dbraw/zinc/32/14/21/805321421.db2.gz GLJKXSOAOUIUNP-LURJTMIESA-N 0 1 280.240 0.901 20 5 CCBDMN O=c1[n-]cnc(O[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001228145114 805418098 /nfs/dbraw/zinc/41/80/98/805418098.db2.gz ZNFJAAVGNCYPER-MRVPVSSYSA-N 0 1 266.257 0.563 20 5 CCBDMN O=C1OCC[C@H]1Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228607686 805460096 /nfs/dbraw/zinc/46/00/96/805460096.db2.gz YEZMRIFNSPRDKI-ZCFIWIBFSA-N 0 1 281.224 0.662 20 5 CCBDMN CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)C1CCC1 ZINC001267338636 811173658 /nfs/dbraw/zinc/17/36/58/811173658.db2.gz CUPYDCZHXXWEKX-UHFFFAOYSA-N 0 1 295.343 0.676 20 5 CCBDMN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCNC[C@H]1CO ZINC001122207852 816611984 /nfs/dbraw/zinc/61/19/84/816611984.db2.gz IYKIJRVLSJFYKQ-RJNRQISESA-N 0 1 291.307 0.401 20 5 CCBDMN COC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccsc1 ZINC001128369507 818206940 /nfs/dbraw/zinc/20/69/40/818206940.db2.gz BCWYCAFCGLSUTR-HLTSFMKQSA-N 0 1 284.293 0.744 20 5 CCBDMN C[N@@H+]1CC[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000712294098 822297816 /nfs/dbraw/zinc/29/78/16/822297816.db2.gz RTCMISPHYPHZIN-QMMMGPOBSA-N 0 1 265.269 0.734 20 5 CCBDMN C[N@H+]1CC[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000712294098 822297819 /nfs/dbraw/zinc/29/78/19/822297819.db2.gz RTCMISPHYPHZIN-QMMMGPOBSA-N 0 1 265.269 0.734 20 5 CCBDMN COc1cc(C)c([N+](=O)[O-])cc1-n1nnnc1CN ZINC001168919922 836050708 /nfs/dbraw/zinc/05/07/08/836050708.db2.gz BOKCWPPVBFVLNG-UHFFFAOYSA-N 0 1 264.245 0.346 20 5 CCBDMN COC(=O)C[C@H]1COCCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035487 836109938 /nfs/dbraw/zinc/10/99/38/836109938.db2.gz BLOPGOZOHVUFCG-SRVKXCTJSA-N 0 1 286.328 0.696 20 5 CCBDMN Cc1cnc(CN)n1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001169021090 836114776 /nfs/dbraw/zinc/11/47/76/836114776.db2.gz XITPGHOFAWHFPH-UHFFFAOYSA-N 0 1 267.220 0.320 20 5 CCBDMN COc1nc(-n2c(C)cnc2CN)nc(C)c1[N+](=O)[O-] ZINC001169020528 836115286 /nfs/dbraw/zinc/11/52/86/836115286.db2.gz NIAIZYKALLGCPV-UHFFFAOYSA-N 0 1 278.272 0.655 20 5 CCBDMN CN1CC(CNc2cc([N+](=O)[O-])c3nncn3c2)C1 ZINC001170256849 837275486 /nfs/dbraw/zinc/27/54/86/837275486.db2.gz ZCOUYAQEDHRXNR-UHFFFAOYSA-N 0 1 262.273 0.611 20 5 CCBDMN CC[C@](N)(CO)Nc1cc([N+](=O)[O-])c(OC)nc1C ZINC001170863577 839456819 /nfs/dbraw/zinc/45/68/19/839456819.db2.gz OUVZTAILWASWLG-LLVKDONJSA-N 0 1 270.289 0.776 20 5 CCBDMN C[C@H]1COC[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001195166297 846476249 /nfs/dbraw/zinc/47/62/49/846476249.db2.gz UJTXBZIGUZIJHG-YUMQZZPRSA-N 0 1 287.297 0.303 20 5 CCBDMN CC(=O)N[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC001195306969 846500852 /nfs/dbraw/zinc/50/08/52/846500852.db2.gz NZVOMNSRTUNPAL-SNVBAGLBSA-N 0 1 267.289 0.002 20 5 CCBDMN Cc1cnc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001042705497 850740779 /nfs/dbraw/zinc/74/07/79/850740779.db2.gz UOPJDUKQMBPLOR-GHMZBOCLSA-N 0 1 294.311 0.291 20 5 CCBDMN O=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001117998153 856131759 /nfs/dbraw/zinc/13/17/59/856131759.db2.gz ZSBGYJGWCVZKOB-FBIMIBRVSA-N 0 1 281.312 0.169 20 5 CCBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC001326040331 913713016 /nfs/dbraw/zinc/71/30/16/913713016.db2.gz SQUVIIARVRASPB-FXBDTBDDSA-N 0 1 282.252 0.493 20 5 CCBDMN O=C(N[C@H](CO)CC(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC001343690853 892956516 /nfs/dbraw/zinc/95/65/16/892956516.db2.gz JRXIFCYPAOHYHP-BYPYZUCNSA-N 0 1 264.188 0.064 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC001116503913 898086037 /nfs/dbraw/zinc/08/60/37/898086037.db2.gz QPRMEONQJGKMGD-ZCFIWIBFSA-N 0 1 279.260 0.246 20 5 CCBDMN COCc1nc(CNc2ncc([N+](=O)[O-])cn2)n[nH]1 ZINC001327726552 914731572 /nfs/dbraw/zinc/73/15/72/914731572.db2.gz DKMPMGNODNXAQQ-UHFFFAOYSA-N 0 1 265.233 0.261 20 5 CCBDMN COCc1nnc(CNc2ncc([N+](=O)[O-])cn2)[nH]1 ZINC001327726552 914731579 /nfs/dbraw/zinc/73/15/79/914731579.db2.gz DKMPMGNODNXAQQ-UHFFFAOYSA-N 0 1 265.233 0.261 20 5 CCBDMN CC(C)=C(F)C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285923383 905813906 /nfs/dbraw/zinc/81/39/06/905813906.db2.gz HMZQTXWNSQLAJE-RKDXNWHRSA-N 0 1 299.302 0.680 20 5 CCBDMN CCN1CCN(C2CN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC001337279225 921228015 /nfs/dbraw/zinc/22/80/15/921228015.db2.gz MPCRKPVHBPUQIA-UHFFFAOYSA-N 0 1 291.355 0.816 20 5 CCBDMN O=C(Cc1nnc[nH]1)NCCc1ccccc1[N+](=O)[O-] ZINC001297274158 907048672 /nfs/dbraw/zinc/04/86/72/907048672.db2.gz RUOCDRAKEWMYMH-UHFFFAOYSA-N 0 1 275.268 0.614 20 5 CCBDMN Cc1cncc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001492249517 907799643 /nfs/dbraw/zinc/79/96/43/907799643.db2.gz GPZWUHUTKINOGU-CHWSQXEVSA-N 0 1 292.339 0.603 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1n[nH]c(C)c1C ZINC001303257456 908075596 /nfs/dbraw/zinc/07/55/96/908075596.db2.gz KDPORLGHFMQARX-UHFFFAOYSA-N 0 1 292.299 0.756 20 5 CCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C1=NN(C)CC1=O ZINC001304543259 908170872 /nfs/dbraw/zinc/17/08/72/908170872.db2.gz DFOVDSHTRKDERN-ZETCQYMHSA-N 0 1 293.283 0.863 20 5 CCBDMN CNC(=O)[C@H]1CCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC001307682819 908336080 /nfs/dbraw/zinc/33/60/80/908336080.db2.gz MDAQTGTXWNNTTG-VHSXEESVSA-N 0 1 281.316 0.333 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001307829954 908352933 /nfs/dbraw/zinc/35/29/33/908352933.db2.gz VCKQRETVXPSIDF-CMPLNLGQSA-N 0 1 282.296 0.259 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1C[C@@H](O)[C@H](CO)C1 ZINC001307829954 908352948 /nfs/dbraw/zinc/35/29/48/908352948.db2.gz VCKQRETVXPSIDF-CMPLNLGQSA-N 0 1 282.296 0.259 20 5 CCBDMN O=C(COc1ccccc1[N+](=O)[O-])NCCN1CC=CC1 ZINC001319027931 909956727 /nfs/dbraw/zinc/95/67/27/909956727.db2.gz JPPSZPWPQGRDDT-UHFFFAOYSA-N 0 1 291.307 0.962 20 5 CCBDMN Cc1nn(C)c(C(=O)Nc2c[nH]nn2)c1[N+](=O)[O-] ZINC001338898836 921597158 /nfs/dbraw/zinc/59/71/58/921597158.db2.gz GLDWYKWLNDIMQL-UHFFFAOYSA-N 0 1 251.206 0.007 20 5 CCBDMN CC(C)n1ncnc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001321132830 911106740 /nfs/dbraw/zinc/10/67/40/911106740.db2.gz CCACBLIQFCNRDD-UHFFFAOYSA-N 0 1 279.260 0.420 20 5 CCBDMN Cc1noc(C2CN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2)n1 ZINC001321161030 911126089 /nfs/dbraw/zinc/12/60/89/911126089.db2.gz FQHXNUBVFLOTSV-UHFFFAOYSA-N 0 1 292.255 0.557 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001321428842 911293889 /nfs/dbraw/zinc/29/38/89/911293889.db2.gz BUKHOMPBEZBYCX-UHFFFAOYSA-N 0 1 278.228 0.086 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1NCCN1CC[C@H](O)C1 ZINC001328740366 915402944 /nfs/dbraw/zinc/40/29/44/915402944.db2.gz JYDIGHRPXUXRAU-JTQLQIEISA-N 0 1 266.301 0.199 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C(=O)[O-] ZINC001329570653 916021965 /nfs/dbraw/zinc/02/19/65/916021965.db2.gz PWNMAKBOECRYFJ-ZJUUUORDSA-N 0 1 282.300 0.834 20 5 CCBDMN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])O2 ZINC001332708739 918395916 /nfs/dbraw/zinc/39/59/16/918395916.db2.gz VLXBEASYEYOZNB-RDGFJHTCSA-N 0 1 298.339 0.740 20 5 CCBDMN C[C@H](CNC(=O)[C@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001342075265 922793717 /nfs/dbraw/zinc/79/37/17/922793717.db2.gz VDRCXRRWIISNLR-ZWNOBZJWSA-N 0 1 293.323 0.803 20 5 CCBDMN O=C(O[C@@H]1CCO[C@@]2(CCOC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001343397360 923298521 /nfs/dbraw/zinc/29/85/21/923298521.db2.gz VANYWRIBFAKJQY-BFLSOPEQSA-N 0 1 271.269 0.533 20 5 CCBDMN Cc1nc(CCNc2ncc([N+](=O)[O-])c(C)n2)n[nH]1 ZINC001350475207 925207553 /nfs/dbraw/zinc/20/75/53/925207553.db2.gz YOIFHIWWPVTUFQ-UHFFFAOYSA-N 0 1 263.261 0.774 20 5 CCBDMN Cc1nnc(CCNc2ncc([N+](=O)[O-])c(C)n2)[nH]1 ZINC001350475207 925207557 /nfs/dbraw/zinc/20/75/57/925207557.db2.gz YOIFHIWWPVTUFQ-UHFFFAOYSA-N 0 1 263.261 0.774 20 5 CCBDMN CC(C)C(=O)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001356612049 926412339 /nfs/dbraw/zinc/41/23/39/926412339.db2.gz SMQGCUOYMBQIMG-GHMZBOCLSA-N 0 1 283.328 0.415 20 5 CCBDMN COC[C@]1(CO)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC001449735561 931183278 /nfs/dbraw/zinc/18/32/78/931183278.db2.gz DLSHNRKDDLTIMR-GFCCVEGCSA-N 0 1 298.299 0.097 20 5 CCBDMN CC(C)c1nnc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC001450150073 931239123 /nfs/dbraw/zinc/23/91/23/931239123.db2.gz HKRPJDNWGVALHK-RNFRBKRXSA-N 0 1 253.262 0.210 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000062133878 948951912 /nfs/dbraw/zinc/95/19/12/948951912.db2.gz KMJHRWCCFFIERI-VIFPVBQESA-N 0 1 268.273 0.506 20 5 CCBDMN COCC[N@H+](CCC(=O)[O-])Cc1cn(C)nc1[N+](=O)[O-] ZINC001594011456 957003214 /nfs/dbraw/zinc/00/32/14/957003214.db2.gz UNACHGOSNSFYQJ-UHFFFAOYSA-N 0 1 286.288 0.251 20 5 CCBDMN COCC[N@@H+](CCC(=O)[O-])Cc1cn(C)nc1[N+](=O)[O-] ZINC001594011456 957003228 /nfs/dbraw/zinc/00/32/28/957003228.db2.gz UNACHGOSNSFYQJ-UHFFFAOYSA-N 0 1 286.288 0.251 20 5 CCBDMN C[C@H](C[NH3+])CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001592612179 978572637 /nfs/dbraw/zinc/57/26/37/978572637.db2.gz ZGMAZNCAVZCIDQ-SECBINFHSA-N 0 1 297.311 0.743 20 5 CCBDMN CO[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC001599123313 997783620 /nfs/dbraw/zinc/78/36/20/997783620.db2.gz JVQMFSYBYGCKBL-UWVGGRQHSA-N 0 1 298.299 0.392 20 5 CCBDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC001594167374 998644652 /nfs/dbraw/zinc/64/46/52/998644652.db2.gz PDEKUZDIDXAMSQ-VXNVDRBHSA-N 0 1 268.273 0.623 20 5 CCBDMN COC(=O)[C@]1(OC)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000599564008 361742981 /nfs/dbraw/zinc/74/29/81/361742981.db2.gz PKVVXXHFOYUZOI-LBPRGKRZSA-N 0 1 298.299 0.055 20 5 CCBDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600440765 361961761 /nfs/dbraw/zinc/96/17/61/361961761.db2.gz KHZFEOATKLCOHJ-AYHNYZOXSA-N 0 1 268.273 0.860 20 5 CCBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCC1 ZINC000600487405 361990484 /nfs/dbraw/zinc/99/04/84/361990484.db2.gz SWLKWMGMTDYKIV-UHFFFAOYSA-N 0 1 266.257 0.807 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)c1[N+](=O)[O-] ZINC000600509837 361998806 /nfs/dbraw/zinc/99/88/06/361998806.db2.gz VRDCKAHEQCSLBY-TVQRCGJNSA-N 0 1 294.311 0.861 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)c1ncc([N+](=O)[O-])cn1 ZINC000425286867 530030007 /nfs/dbraw/zinc/03/00/07/530030007.db2.gz VCAYIGGKUUVJGQ-UHFFFAOYSA-N 0 1 252.190 0.110 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1ccc([N+](=O)[O-])cc1Cl ZINC000602556730 362678125 /nfs/dbraw/zinc/67/81/25/362678125.db2.gz LXOKUGLBKGLMAN-MRVPVSSYSA-N 0 1 299.714 0.966 20 5 CCBDMN CNC(=O)[C@@]1(C)CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602641785 362728957 /nfs/dbraw/zinc/72/89/57/362728957.db2.gz DGBHDOGDGLGGGO-LBPRGKRZSA-N 0 1 281.316 0.286 20 5 CCBDMN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000602680018 362745711 /nfs/dbraw/zinc/74/57/11/362745711.db2.gz CRAPYYPUXXENRA-PHIMTYICSA-N 0 1 297.359 0.215 20 5 CCBDMN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000602796316 362804314 /nfs/dbraw/zinc/80/43/14/362804314.db2.gz FFMYKOVBFDJSPJ-ZJUUUORDSA-N 0 1 267.333 0.853 20 5 CCBDMN Cn1cc(CN2CCC[C@@]2(C)CO)c([N+](=O)[O-])n1 ZINC000602810388 362811874 /nfs/dbraw/zinc/81/18/74/362811874.db2.gz TUJJQWNDLDOHFH-NSHDSACASA-N 0 1 254.290 0.675 20 5 CCBDMN C[C@@H](N(C)Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)O ZINC000602836253 362826668 /nfs/dbraw/zinc/82/66/68/362826668.db2.gz MGAWJWSVEHSINJ-MRVPVSSYSA-N 0 1 256.306 0.920 20 5 CCBDMN O=C([O-])C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262639272 137048982 /nfs/dbraw/zinc/04/89/82/137048982.db2.gz IOWKFKXPVUAHOJ-QMMMGPOBSA-N 0 1 266.257 0.561 20 5 CCBDMN [NH3+]C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000342529475 137099197 /nfs/dbraw/zinc/09/91/97/137099197.db2.gz QMAASYBZRACVGE-UHFFFAOYSA-N 0 1 291.354 0.816 20 5 CCBDMN C[C@H]1[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CCCN1C ZINC000343571745 137143122 /nfs/dbraw/zinc/14/31/22/137143122.db2.gz VAIFOKQFWOJPMS-DTWKUNHWSA-N 0 1 281.316 0.541 20 5 CCBDMN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1nn[nH]n1 ZINC000343718820 137152065 /nfs/dbraw/zinc/15/20/65/137152065.db2.gz FDUMGBYXYOPGLW-SSDOTTSWSA-N 0 1 279.260 0.707 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000343733347 137153665 /nfs/dbraw/zinc/15/36/65/137153665.db2.gz NMYUDYPNDKXPIZ-ZCFIWIBFSA-N 0 1 264.245 0.542 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CCN2CCC1CC2 ZINC000344841584 137216468 /nfs/dbraw/zinc/21/64/68/137216468.db2.gz YFCHUNZEBPKKPA-UHFFFAOYSA-N 0 1 251.290 0.613 20 5 CCBDMN COc1cc(C(=O)N2CCNCC2)c([N+](=O)[O-])cc1OC ZINC000035055794 348155169 /nfs/dbraw/zinc/15/51/69/348155169.db2.gz PPDDDFYGMIXUSK-UHFFFAOYSA-N 0 1 295.295 0.657 20 5 CCBDMN O=C(COc1cccc([N+](=O)[O-])c1)N1CCNCC1 ZINC000032048154 348129257 /nfs/dbraw/zinc/12/92/57/348129257.db2.gz QFEHPIDAAVLTJG-UHFFFAOYSA-N 0 1 265.269 0.405 20 5 CCBDMN COC(=O)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@@H]1C ZINC000347219643 137326053 /nfs/dbraw/zinc/32/60/53/137326053.db2.gz IPUFHMJZGJMMCI-HTQZYQBOSA-N 0 1 296.283 0.650 20 5 CCBDMN COc1ccc(CN2CC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000048027058 348397593 /nfs/dbraw/zinc/39/75/93/348397593.db2.gz XMUYGNAIBMVBNK-JTQLQIEISA-N 0 1 279.296 0.911 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CNC(C)(C)CC(N)=O ZINC000349202898 137389969 /nfs/dbraw/zinc/38/99/69/137389969.db2.gz RNWAIMPBMIXBJP-UHFFFAOYSA-N 0 1 255.278 0.072 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ncccc2O)n1 ZINC000347752291 137354294 /nfs/dbraw/zinc/35/42/94/137354294.db2.gz FWIVBALEPGBBTN-UHFFFAOYSA-N 0 1 263.213 0.681 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000054369642 348554502 /nfs/dbraw/zinc/55/45/02/348554502.db2.gz STICXSNKTOJXHS-MRVPVSSYSA-N 0 1 252.274 0.367 20 5 CCBDMN CC(C)CN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076267199 349076171 /nfs/dbraw/zinc/07/61/71/349076171.db2.gz GFNWLUZGSHSYRM-UHFFFAOYSA-N 0 1 280.332 0.745 20 5 CCBDMN Nc1nc(Nc2cnn(-c3ncccn3)c2)ncc1[N+](=O)[O-] ZINC000078019814 349127185 /nfs/dbraw/zinc/12/71/85/349127185.db2.gz UKZIGRJUKAZVDR-UHFFFAOYSA-N 0 1 299.254 0.686 20 5 CCBDMN Cc1ccc(C(=O)NCCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000080603804 349221518 /nfs/dbraw/zinc/22/15/18/349221518.db2.gz NEZNHWANPJCBDB-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C[C@H](O)C2CC2)c1[N+](=O)[O-] ZINC000089879955 349410342 /nfs/dbraw/zinc/41/03/42/349410342.db2.gz VRMSODNJAUWTOT-VIFPVBQESA-N 0 1 282.300 0.723 20 5 CCBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NCCc1nc[nH]n1 ZINC000134856564 350377745 /nfs/dbraw/zinc/37/77/45/350377745.db2.gz MMEXIXCMURZJHG-UHFFFAOYSA-N 0 1 275.268 0.614 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135014775 350382284 /nfs/dbraw/zinc/38/22/84/350382284.db2.gz AVEINNGLDYNAFW-UHFFFAOYSA-N 0 1 266.192 0.177 20 5 CCBDMN COc1ccc(NC(=O)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000136481042 350423906 /nfs/dbraw/zinc/42/39/06/350423906.db2.gz BMNDZLJFLZBZMG-NSHDSACASA-N 0 1 281.268 0.530 20 5 CCBDMN Nc1c(C(=O)N2CCNCC2)cccc1[N+](=O)[O-] ZINC000159374840 350676299 /nfs/dbraw/zinc/67/62/99/350676299.db2.gz YVRIUZRGOCBNID-UHFFFAOYSA-N 0 1 250.258 0.222 20 5 CCBDMN CC1(C)COCCN1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179195080 351260881 /nfs/dbraw/zinc/26/08/81/351260881.db2.gz HQOBMJYFRFRDRE-UHFFFAOYSA-N 0 1 297.315 0.159 20 5 CCBDMN CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000185733582 351456439 /nfs/dbraw/zinc/45/64/39/351456439.db2.gz XJJSMJIJJUUPKM-JTQLQIEISA-N 0 1 294.311 0.862 20 5 CCBDMN CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000185733582 351456445 /nfs/dbraw/zinc/45/64/45/351456445.db2.gz XJJSMJIJJUUPKM-JTQLQIEISA-N 0 1 294.311 0.862 20 5 CCBDMN CC[C@H](O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000291609298 198049192 /nfs/dbraw/zinc/04/91/92/198049192.db2.gz AZJKJWUZKQYPNW-ZETCQYMHSA-N 0 1 292.288 0.783 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCCC[C@H]1C(N)=O ZINC000445798556 282774287 /nfs/dbraw/zinc/77/42/87/282774287.db2.gz PZXWCCAGNURAIO-BDAKNGLRSA-N 0 1 281.316 0.462 20 5 CCBDMN CC[N@@H+]1CC[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193443875 351828705 /nfs/dbraw/zinc/82/87/05/351828705.db2.gz UHIABKVTFZQOIW-SECBINFHSA-N 0 1 294.311 0.767 20 5 CCBDMN CC[N@H+]1CC[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193443875 351828707 /nfs/dbraw/zinc/82/87/07/351828707.db2.gz UHIABKVTFZQOIW-SECBINFHSA-N 0 1 294.311 0.767 20 5 CCBDMN CN1CCN(C)[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000225743745 352013087 /nfs/dbraw/zinc/01/30/87/352013087.db2.gz PDHXETNKJUJWIW-JTQLQIEISA-N 0 1 265.317 0.648 20 5 CCBDMN Cc1c(CNC(=O)[C@@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000231856464 352136173 /nfs/dbraw/zinc/13/61/73/352136173.db2.gz UGWMMZXPGQKPGB-LBPRGKRZSA-N 0 1 279.296 0.508 20 5 CCBDMN Cc1c(CNC(=O)[C@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000231856466 352136582 /nfs/dbraw/zinc/13/65/82/352136582.db2.gz UGWMMZXPGQKPGB-GFCCVEGCSA-N 0 1 279.296 0.508 20 5 CCBDMN Cc1cnc(NC[C@H]2COCCN2)c([N+](=O)[O-])c1 ZINC000235925563 352190565 /nfs/dbraw/zinc/19/05/65/352190565.db2.gz JIDHOZQBLUTMPM-VIFPVBQESA-N 0 1 252.274 0.699 20 5 CCBDMN CCC1(O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000270561787 352948473 /nfs/dbraw/zinc/94/84/73/352948473.db2.gz KMGKDVKXTCFTQR-UHFFFAOYSA-N 0 1 295.339 0.993 20 5 CCBDMN COCCN(CCO)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000275054853 353182440 /nfs/dbraw/zinc/18/24/40/353182440.db2.gz MDOMHXUEPLIJKQ-UHFFFAOYSA-N 0 1 284.268 0.381 20 5 CCBDMN Cc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])n[nH]2)n[nH]1 ZINC000286522953 353592763 /nfs/dbraw/zinc/59/27/63/353592763.db2.gz XYNBAXHQEHCWGZ-BYPYZUCNSA-N 0 1 265.233 0.235 20 5 CCBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@](O)(C(N)=O)C1 ZINC000286129932 353563829 /nfs/dbraw/zinc/56/38/29/353563829.db2.gz JYKYCYNBZRPSHH-HZMBPMFUSA-N 0 1 293.323 0.968 20 5 CCBDMN CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000304301438 354111533 /nfs/dbraw/zinc/11/15/33/354111533.db2.gz HZUPMZLYDCKRFR-CYZMBNFOSA-N 0 1 298.343 0.652 20 5 CCBDMN CCN1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000310933970 354194335 /nfs/dbraw/zinc/19/43/35/354194335.db2.gz IBIJAYZPLWHWFP-UHFFFAOYSA-N 0 1 251.290 0.714 20 5 CCBDMN Cc1cn(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)nc1[N+](=O)[O-] ZINC000331127117 354458667 /nfs/dbraw/zinc/45/86/67/354458667.db2.gz OALFXIHPVFAVJV-IJLUTSLNSA-N 0 1 298.343 0.570 20 5 CCBDMN O=C(NCC1(O)CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000332468108 354680559 /nfs/dbraw/zinc/68/05/59/354680559.db2.gz LHBHKWHFTOJYRO-UHFFFAOYSA-N 0 1 266.253 0.945 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)CC(=O)OC)c1[N+](=O)[O-] ZINC000172332037 188796527 /nfs/dbraw/zinc/79/65/27/188796527.db2.gz ICHNSWHGNNOXBL-UHFFFAOYSA-N 0 1 284.272 0.515 20 5 CCBDMN Cn1cnnc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000337254754 355291066 /nfs/dbraw/zinc/29/10/66/355291066.db2.gz QNHALAVBJOBRCY-UHFFFAOYSA-N 0 1 277.240 0.359 20 5 CCBDMN O=C(COc1ccccc1[N+](=O)[O-])NCCN1CCC1 ZINC000337292387 355296104 /nfs/dbraw/zinc/29/61/04/355296104.db2.gz MWCGCBSLZPHHNV-UHFFFAOYSA-N 0 1 279.296 0.796 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558732846 291071199 /nfs/dbraw/zinc/07/11/99/291071199.db2.gz NQFAPRCFUUZMNY-UHFFFAOYSA-N 0 1 250.218 0.279 20 5 CCBDMN CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1COC[C@H]1O ZINC000352802621 356083429 /nfs/dbraw/zinc/08/34/29/356083429.db2.gz MFGNOFRGNDFMSB-QWHCGFSZSA-N 0 1 282.296 0.665 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000360759775 138009615 /nfs/dbraw/zinc/00/96/15/138009615.db2.gz XEYFUSYWMXCZIT-YRGRVCCFSA-N 0 1 294.282 0.911 20 5 CCBDMN NC(=O)[C@@H]1CCCN1CCCNc1ncc([N+](=O)[O-])cn1 ZINC000273599267 192224892 /nfs/dbraw/zinc/22/48/92/192224892.db2.gz JBMPPPBQRGLUET-JTQLQIEISA-N 0 1 294.315 0.137 20 5 CCBDMN CC(C)(O)CN1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000608885544 363466823 /nfs/dbraw/zinc/46/68/23/363466823.db2.gz YASYIINCMVBHHL-UHFFFAOYSA-N 0 1 280.328 0.883 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1nn[nH]n1 ZINC000354800911 356501793 /nfs/dbraw/zinc/50/17/93/356501793.db2.gz IHVPCRPRJXRIGF-UHFFFAOYSA-N 0 1 291.271 0.476 20 5 CCBDMN CCN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000610336475 363551991 /nfs/dbraw/zinc/55/19/91/363551991.db2.gz OKYOCXMRZNBYQL-AAEUAGOBSA-N 0 1 297.359 0.178 20 5 CCBDMN COC1CCN(CCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000619696521 366324831 /nfs/dbraw/zinc/32/48/31/366324831.db2.gz JODFLYREKGKFHQ-UHFFFAOYSA-N 0 1 286.357 0.996 20 5 CCBDMN NC(=O)[C@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356310412 356744955 /nfs/dbraw/zinc/74/49/55/356744955.db2.gz IAFGRALOKNGDMJ-SNVBAGLBSA-N 0 1 279.252 0.390 20 5 CCBDMN O=[N+]([O-])c1cc(F)cnc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405263327 357824108 /nfs/dbraw/zinc/82/41/08/357824108.db2.gz KEQKKAHVORGWAI-VHSXEESVSA-N 0 1 282.275 0.384 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405267422 357823763 /nfs/dbraw/zinc/82/37/63/357823763.db2.gz MQOHOKXJLPRPGG-WDEREUQCSA-N 0 1 295.343 0.375 20 5 CCBDMN C[C@@H]1C[C@H](O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000408292539 358014575 /nfs/dbraw/zinc/01/45/75/358014575.db2.gz CZEWWMKYQXIQFH-HQJQHLMTSA-N 0 1 266.253 0.896 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCNC(C)(C)C2)n1 ZINC000408370723 358057510 /nfs/dbraw/zinc/05/75/10/358057510.db2.gz ORNPPAKFWYBOGB-UHFFFAOYSA-N 0 1 281.316 0.635 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](CO)CC2)c1[N+](=O)[O-] ZINC000294712174 199147293 /nfs/dbraw/zinc/14/72/93/199147293.db2.gz YDARXHWRJQGUHY-VIFPVBQESA-N 0 1 282.300 0.861 20 5 CCBDMN O=C(NCCN1CCCC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000568123342 358635582 /nfs/dbraw/zinc/63/55/82/358635582.db2.gz QGNXCYJPWRUVPA-UHFFFAOYSA-N 0 1 293.279 0.653 20 5 CCBDMN [NH3+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000567834950 358597434 /nfs/dbraw/zinc/59/74/34/358597434.db2.gz WCWFHGKKNJSMGY-MRVPVSSYSA-N 0 1 280.284 0.506 20 5 CCBDMN [NH3+]CC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000567837312 358597514 /nfs/dbraw/zinc/59/75/14/358597514.db2.gz VLEFPQLXDHAYME-SECBINFHSA-N 0 1 294.311 0.896 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC(C)(C(N)=O)C2)c1[N+](=O)[O-] ZINC000571089595 358912080 /nfs/dbraw/zinc/91/20/80/358912080.db2.gz ABPFVPYICPZVFE-UHFFFAOYSA-N 0 1 295.299 0.389 20 5 CCBDMN [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000579950795 359065899 /nfs/dbraw/zinc/06/58/99/359065899.db2.gz UUIUZUHWMNCYKM-RKDXNWHRSA-N 0 1 294.311 0.943 20 5 CCBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1nn[nH]n1 ZINC000589837232 359404224 /nfs/dbraw/zinc/40/42/24/359404224.db2.gz PNFSZFZDVNVAOU-UHFFFAOYSA-N 0 1 298.209 0.245 20 5 CCBDMN CCN1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1C ZINC000611084809 363657754 /nfs/dbraw/zinc/65/77/54/363657754.db2.gz WEUQCMVOCNHMKL-QMMMGPOBSA-N 0 1 266.305 0.328 20 5 CCBDMN COC(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000496727308 240355880 /nfs/dbraw/zinc/35/58/80/240355880.db2.gz YHWNOUJQWOVESQ-NXEZZACHSA-N 0 1 285.300 0.246 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H](C)[NH2+]1 ZINC000563101027 291193146 /nfs/dbraw/zinc/19/31/46/291193146.db2.gz OOZQOHRPHFYXLT-YUMQZZPRSA-N 0 1 280.284 0.518 20 5 CCBDMN COC(=O)NCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000496720954 240356131 /nfs/dbraw/zinc/35/61/31/240356131.db2.gz PDWGXECNHCQXPP-UHFFFAOYSA-N 0 1 283.240 0.386 20 5 CCBDMN O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@H]12 ZINC000593029436 360017610 /nfs/dbraw/zinc/01/76/10/360017610.db2.gz APMPLCLIEQCYLO-AOOOYVTPSA-N 0 1 291.263 0.005 20 5 CCBDMN O=[N+]([O-])c1ncccc1N1CCN(Cc2nnc[nH]2)CC1 ZINC000593508756 360102423 /nfs/dbraw/zinc/10/24/23/360102423.db2.gz RDFQETHUDLEMIL-UHFFFAOYSA-N 0 1 289.299 0.430 20 5 CCBDMN CC[C@H](C(=O)[O-])[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000593288563 360061064 /nfs/dbraw/zinc/06/10/64/360061064.db2.gz MQRTVEYZFPUHPG-MRVPVSSYSA-N 0 1 256.262 0.586 20 5 CCBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000593745858 360146667 /nfs/dbraw/zinc/14/66/67/360146667.db2.gz AAYGQRLNXOPHCR-NSHDSACASA-N 0 1 268.273 0.730 20 5 CCBDMN Cc1[nH]nc(C(=O)N=c2ncn(C(C)C)[nH]2)c1[N+](=O)[O-] ZINC000593784231 360151082 /nfs/dbraw/zinc/15/10/82/360151082.db2.gz KOKDGIHKIHTQKV-UHFFFAOYSA-N 0 1 279.260 0.473 20 5 CCBDMN C[C@@H](O)CN[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000593920053 360216326 /nfs/dbraw/zinc/21/63/26/360216326.db2.gz JKBOTOPQIIYEDE-LDYMZIIASA-N 0 1 293.279 0.197 20 5 CCBDMN O=C([O-])C12CC(C1)C[N@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000594733728 360369777 /nfs/dbraw/zinc/36/97/77/360369777.db2.gz DEESOSGRCUUXFG-UHFFFAOYSA-N 0 1 266.257 0.340 20 5 CCBDMN C[C@H](C[C@H](C)O)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594773981 360380549 /nfs/dbraw/zinc/38/05/49/360380549.db2.gz URQONQSDMGCKMZ-SFYZADRCSA-N 0 1 289.313 0.428 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC[C@](C)(O)C2)c1[N+](=O)[O-] ZINC000177395752 189047819 /nfs/dbraw/zinc/04/78/19/189047819.db2.gz QMMRMSGSMGAVGJ-LBPRGKRZSA-N 0 1 282.300 0.867 20 5 CCBDMN O=C(NCCCn1cncn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611553806 363738327 /nfs/dbraw/zinc/73/83/27/363738327.db2.gz AUTWRANLPVVLSW-UHFFFAOYSA-N 0 1 291.267 0.712 20 5 CCBDMN Cc1noc(CN[C@H](CO)C2CCOCC2)c1[N+](=O)[O-] ZINC000595426968 360527896 /nfs/dbraw/zinc/52/78/96/360527896.db2.gz VBEPIICIDBIDOT-SNVBAGLBSA-N 0 1 285.300 0.768 20 5 CCBDMN O=[N+]([O-])c1ccc(CN2CCC(CO)(CO)C2)cc1 ZINC000595798297 360658402 /nfs/dbraw/zinc/65/84/02/360658402.db2.gz APZMJSKMFTYFEE-UHFFFAOYSA-N 0 1 266.297 0.772 20 5 CCBDMN CN(Cc1cnc[nH]1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000597866546 361273548 /nfs/dbraw/zinc/27/35/48/361273548.db2.gz XWBAORJQPDYWIH-UHFFFAOYSA-N 0 1 264.245 0.173 20 5 CCBDMN CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597947447 361288797 /nfs/dbraw/zinc/28/87/97/361288797.db2.gz YPMKGSDXQZBSGL-MRVPVSSYSA-N 0 1 267.289 0.484 20 5 CCBDMN CC(C)(C)N1CC[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000597856863 361270107 /nfs/dbraw/zinc/27/01/07/361270107.db2.gz BSGKBYUNXQVNDQ-MRVPVSSYSA-N 0 1 281.316 0.921 20 5 CCBDMN COCc1nc(CNC(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000598056534 361326431 /nfs/dbraw/zinc/32/64/31/361326431.db2.gz ZKJBIGKNWMTULM-UHFFFAOYSA-N 0 1 297.296 0.851 20 5 CCBDMN COCc1nnc(CNC(=O)c2csc([N+](=O)[O-])c2)[nH]1 ZINC000598056534 361326437 /nfs/dbraw/zinc/32/64/37/361326437.db2.gz ZKJBIGKNWMTULM-UHFFFAOYSA-N 0 1 297.296 0.851 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C[C@@H]2COCCO2)c1[N+](=O)[O-] ZINC000598182912 361350294 /nfs/dbraw/zinc/35/02/94/361350294.db2.gz PWTMULIDWZXDGQ-MRVPVSSYSA-N 0 1 284.272 0.114 20 5 CCBDMN O=C(NCC1CCC(O)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000598340957 361391581 /nfs/dbraw/zinc/39/15/81/361391581.db2.gz UEDYLDWZZGRJHK-UHFFFAOYSA-N 0 1 268.273 0.599 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC3(COC3)C2)c1[N+](=O)[O-] ZINC000598404426 361405293 /nfs/dbraw/zinc/40/52/93/361405293.db2.gz QQSLNSVZGSSRTC-UHFFFAOYSA-N 0 1 280.284 0.743 20 5 CCBDMN CC1(C)OCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598453710 361421668 /nfs/dbraw/zinc/42/16/68/361421668.db2.gz ICDBMYKWRMVHND-ZETCQYMHSA-N 0 1 268.273 0.863 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC000598446696 361419709 /nfs/dbraw/zinc/41/97/09/361419709.db2.gz GYEAAODVFFAEGN-KRTXAFLBSA-N 0 1 282.300 0.717 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CC(C)(C)CO)c1[N+](=O)[O-] ZINC000598738835 361504022 /nfs/dbraw/zinc/50/40/22/361504022.db2.gz XJPWOKIBDANTMU-UHFFFAOYSA-N 0 1 270.289 0.717 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000598786150 361516761 /nfs/dbraw/zinc/51/67/61/361516761.db2.gz RQRHFUPEXXPDKM-IUCAKERBSA-N 0 1 296.327 0.971 20 5 CCBDMN NC(=O)[C@@H]1CCCN1CCCNc1cccnc1[N+](=O)[O-] ZINC000599129789 361582299 /nfs/dbraw/zinc/58/22/99/361582299.db2.gz GWKGGQSRZWFCHX-NSHDSACASA-N 0 1 293.327 0.742 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)C)n1 ZINC000599217987 361614125 /nfs/dbraw/zinc/61/41/25/361614125.db2.gz KIIBCWBOAWPVKI-UHFFFAOYSA-N 0 1 276.318 0.653 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(C)CCCC2)n1 ZINC000599223517 361615977 /nfs/dbraw/zinc/61/59/77/361615977.db2.gz NAZHGMPISQDGGJ-UHFFFAOYSA-N 0 1 288.329 0.939 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCSC2)n1 ZINC000599249358 361619334 /nfs/dbraw/zinc/61/93/34/361619334.db2.gz HOLZBUGQOAGXOK-ZCFIWIBFSA-N 0 1 292.342 0.112 20 5 CCBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(OC)OC ZINC000278563862 194045858 /nfs/dbraw/zinc/04/58/58/194045858.db2.gz HUXOIERSXLWCGI-LURJTMIESA-N 0 1 272.261 0.445 20 5 CCBDMN CCc1nnc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[nH]1 ZINC000295321048 389002165 /nfs/dbraw/zinc/00/21/65/389002165.db2.gz LBVOQKAXHYXHLP-UHFFFAOYSA-N 0 1 291.267 0.911 20 5 CCBDMN C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)N1C ZINC000338791568 389116550 /nfs/dbraw/zinc/11/65/50/389116550.db2.gz FVWZSNOOXPWVOR-YUMQZZPRSA-N 0 1 266.305 0.326 20 5 CCBDMN O=C(NCCc1cccnc1)c1n[nH]cc1[N+](=O)[O-] ZINC000134348462 389244457 /nfs/dbraw/zinc/24/44/57/389244457.db2.gz AJPUMMNOURAJAQ-UHFFFAOYSA-N 0 1 261.241 0.685 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)CC(=O)NC)c1[N+](=O)[O-] ZINC000264549477 389335796 /nfs/dbraw/zinc/33/57/96/389335796.db2.gz BQFXVEXMVQSHRD-UHFFFAOYSA-N 0 1 283.288 0.088 20 5 CCBDMN O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000364495560 389270156 /nfs/dbraw/zinc/27/01/56/389270156.db2.gz QAOSMIRUMMOLSE-YUSALJHKSA-N 0 1 289.291 0.573 20 5 CCBDMN C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)N1 ZINC000153672733 389306201 /nfs/dbraw/zinc/30/62/01/389306201.db2.gz XRPWMOGOUANFPI-AOOOYVTPSA-N 0 1 281.316 0.390 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)N1 ZINC000422823591 389482837 /nfs/dbraw/zinc/48/28/37/389482837.db2.gz LVNLHNYHFYILMP-RNFRBKRXSA-N 0 1 253.262 0.140 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000373524835 389491096 /nfs/dbraw/zinc/49/10/96/389491096.db2.gz VHXRDMBJUPMCLY-UZWSLXQKSA-N 0 1 284.312 0.448 20 5 CCBDMN CCOC(=O)[C@H]1NCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000422939688 389508096 /nfs/dbraw/zinc/50/80/96/389508096.db2.gz IDJWCHABXSMTFP-OLZOCXBDSA-N 0 1 293.323 0.978 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N(C)CCCO)c1[N+](=O)[O-] ZINC000281934035 389636608 /nfs/dbraw/zinc/63/66/08/389636608.db2.gz LUGIKQOMATUZJN-UHFFFAOYSA-N 0 1 270.289 0.896 20 5 CCBDMN NC(=O)c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000179133221 389639032 /nfs/dbraw/zinc/63/90/32/389639032.db2.gz HCIRCJNIGJTZQF-UHFFFAOYSA-N 0 1 289.251 0.347 20 5 CCBDMN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)N1 ZINC000179151754 389641812 /nfs/dbraw/zinc/64/18/12/389641812.db2.gz OQBDCBLUXUVQDH-IUCAKERBSA-N 0 1 267.289 0.000 20 5 CCBDMN C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000375143218 389642709 /nfs/dbraw/zinc/64/27/09/389642709.db2.gz UZIFBKREYNUGKF-HNCHTBHHSA-N 0 1 268.313 0.973 20 5 CCBDMN O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000374688726 389600516 /nfs/dbraw/zinc/60/05/16/389600516.db2.gz AZQZFNUJCYKSLR-IRCOFANPSA-N 0 1 298.339 0.336 20 5 CCBDMN C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCN1 ZINC000415392864 389680804 /nfs/dbraw/zinc/68/08/04/389680804.db2.gz YPZQSDACQHGANG-MRVPVSSYSA-N 0 1 265.273 0.237 20 5 CCBDMN C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCOC1 ZINC000352220602 389773679 /nfs/dbraw/zinc/77/36/79/389773679.db2.gz INFPDLPLZDFVIU-LBPRGKRZSA-N 0 1 281.312 0.867 20 5 CCBDMN COc1ccc(CNC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000417186361 389802166 /nfs/dbraw/zinc/80/21/66/389802166.db2.gz FBUDOJCPLGNOOC-UHFFFAOYSA-N 0 1 294.311 0.718 20 5 CCBDMN O=C(c1ccccc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405213984 389813421 /nfs/dbraw/zinc/81/34/21/389813421.db2.gz JGALOCQPFCRFPG-WDEREUQCSA-N 0 1 291.307 0.486 20 5 CCBDMN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ncn[nH]1 ZINC000444642003 389911564 /nfs/dbraw/zinc/91/15/64/389911564.db2.gz WDQLJWKDOLSJOX-UHFFFAOYSA-N 0 1 287.239 0.519 20 5 CCBDMN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nc[nH]n1 ZINC000444642003 389911565 /nfs/dbraw/zinc/91/15/65/389911565.db2.gz WDQLJWKDOLSJOX-UHFFFAOYSA-N 0 1 287.239 0.519 20 5 CCBDMN C[C@@H]1[C@H](C)N(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCN1C ZINC000445148181 389921760 /nfs/dbraw/zinc/92/17/60/389921760.db2.gz WOENDKBGXQQZLW-BDAKNGLRSA-N 0 1 294.311 0.860 20 5 CCBDMN C[N@H+]1CC[C@](O)(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436973209 389988768 /nfs/dbraw/zinc/98/87/68/389988768.db2.gz WZAAABSLEYAIHO-ZDUSSCGKSA-N 0 1 295.295 0.097 20 5 CCBDMN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[N@@H+]1C ZINC000439946453 390028475 /nfs/dbraw/zinc/02/84/75/390028475.db2.gz BSZDRPDKVSUXII-RKDXNWHRSA-N 0 1 294.311 0.908 20 5 CCBDMN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[N@H+]1C ZINC000439946453 390028477 /nfs/dbraw/zinc/02/84/77/390028477.db2.gz BSZDRPDKVSUXII-RKDXNWHRSA-N 0 1 294.311 0.908 20 5 CCBDMN COC(=O)N1CCC([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000496270091 390330496 /nfs/dbraw/zinc/33/04/96/390330496.db2.gz BLRIYTQPCXDPKZ-JMJZKYOTSA-N 0 1 299.327 0.635 20 5 CCBDMN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000497049330 390408737 /nfs/dbraw/zinc/40/87/37/390408737.db2.gz XOIJNJJVVSSXJF-LMLFDSFASA-N 0 1 299.327 0.635 20 5 CCBDMN COC(=O)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000191811923 130307992 /nfs/dbraw/zinc/30/79/92/130307992.db2.gz NJRIYMKWRHIGMX-PWSUYJOCSA-N 0 1 296.327 0.922 20 5 CCBDMN O=C(N[C@@H]1CCC(=O)NC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269136380 132118669 /nfs/dbraw/zinc/11/86/69/132118669.db2.gz DJAOUFRDKIUZFP-MRVPVSSYSA-N 0 1 279.252 0.309 20 5 CCBDMN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CNCCO1 ZINC000269257988 132144108 /nfs/dbraw/zinc/14/41/08/132144108.db2.gz XFHYWSOJTQKCFS-NSHDSACASA-N 0 1 299.714 0.853 20 5 CCBDMN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCN1 ZINC000532143791 285776272 /nfs/dbraw/zinc/77/62/72/285776272.db2.gz AVBILHZEMWUMSC-UHFFFAOYSA-N 0 1 264.285 0.814 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([C@@H]2CCOC2)CC1 ZINC000371765407 144343095 /nfs/dbraw/zinc/34/30/95/144343095.db2.gz JHJOEMRIDGQFCG-IJLUTSLNSA-N 0 1 268.313 0.927 20 5 CCBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000372748811 144379978 /nfs/dbraw/zinc/37/99/78/144379978.db2.gz LIABFRHWYOKFPC-WCQGTBRESA-N 0 1 293.327 0.377 20 5 CCBDMN Cc1nc(=NC(=O)c2ccc([N+](=O)[O-])cn2)[nH]n1C ZINC000552599411 286169949 /nfs/dbraw/zinc/16/99/49/286169949.db2.gz XTEOSEATFHSCAR-UHFFFAOYSA-N 0 1 262.229 0.101 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CCC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000552667279 286170620 /nfs/dbraw/zinc/17/06/20/286170620.db2.gz XAJLMONHIFMQHZ-QMMMGPOBSA-N 0 1 295.299 0.319 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1ccc([N+](=O)[O-])cc1F ZINC000044929557 411633459 /nfs/dbraw/zinc/63/34/59/411633459.db2.gz FQAUDNKCBPPCQG-UHFFFAOYSA-N 0 1 266.192 0.177 20 5 CCBDMN CN1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000020462542 171209278 /nfs/dbraw/zinc/20/92/78/171209278.db2.gz CELOBQOKIFFBDJ-UHFFFAOYSA-N 0 1 253.258 0.966 20 5 CCBDMN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000284726171 196118656 /nfs/dbraw/zinc/11/86/56/196118656.db2.gz CURPKRUBODVLPR-CMPLNLGQSA-N 0 1 296.279 0.522 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1CNCCC(N)=O ZINC000036747234 172675373 /nfs/dbraw/zinc/67/53/73/172675373.db2.gz WXKMXVNRRZPUNN-UHFFFAOYSA-N 0 1 253.258 0.568 20 5 CCBDMN NC(=O)c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n[nH]1 ZINC000611558944 420495250 /nfs/dbraw/zinc/49/52/50/420495250.db2.gz IBFSHMQNEZRZNS-UHFFFAOYSA-N 0 1 291.223 0.375 20 5 CCBDMN CN(C)C1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000272705312 276774438 /nfs/dbraw/zinc/77/44/38/276774438.db2.gz WWMIMDLNZPBYLA-UHFFFAOYSA-N 0 1 264.285 0.563 20 5 CCBDMN C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1)c1nn[nH]n1 ZINC000358418832 278237617 /nfs/dbraw/zinc/23/76/17/278237617.db2.gz XOLYYNQABGEXRC-LURJTMIESA-N 0 1 279.260 0.312 20 5 CCBDMN Cc1nnc(NC(=O)c2c(N)cccc2[N+](=O)[O-])[nH]1 ZINC000354517692 279100235 /nfs/dbraw/zinc/10/02/35/279100235.db2.gz WXMSNUILULZRGC-UHFFFAOYSA-N 0 1 262.229 0.856 20 5 CCBDMN Cc1n[nH]c(NC(=O)c2c(N)cccc2[N+](=O)[O-])n1 ZINC000354517692 279100237 /nfs/dbraw/zinc/10/02/37/279100237.db2.gz WXMSNUILULZRGC-UHFFFAOYSA-N 0 1 262.229 0.856 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCNC(C)(C)C1 ZINC000396012654 329303165 /nfs/dbraw/zinc/30/31/65/329303165.db2.gz JKUNXSHXVFKFBF-UHFFFAOYSA-N 0 1 266.301 0.757 20 5 CCBDMN CC(=O)N[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157709258 519690146 /nfs/dbraw/zinc/69/01/46/519690146.db2.gz AAOJNNUMPOJRPL-LLVKDONJSA-N 0 1 281.316 0.392 20 5 CCBDMN COc1ccc(CN[C@@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000184184340 524088472 /nfs/dbraw/zinc/08/84/72/524088472.db2.gz GWHYIZGEJXZBAX-CYBMUJFWSA-N 0 1 282.296 0.844 20 5 CCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[C@H]1O ZINC000425210664 534886682 /nfs/dbraw/zinc/88/66/82/534886682.db2.gz VDINIBFYRFAGQA-VXNVDRBHSA-N 0 1 290.272 0.536 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](O)C[C@@H]2CO)c1[N+](=O)[O-] ZINC000347733435 535321505 /nfs/dbraw/zinc/32/15/05/535321505.db2.gz OILZDQCOZPYJQJ-HTQZYQBOSA-N 0 1 298.299 0.009 20 5 CCBDMN Cc1cc(CC(=O)OCCn2c(C)ncc2[N+](=O)[O-])n[nH]1 ZINC000756238082 581660613 /nfs/dbraw/zinc/66/06/13/581660613.db2.gz BDSRXLQGYAVCNQ-UHFFFAOYSA-N 0 1 293.283 0.917 20 5 CCBDMN CCN(CC(=O)NC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000771495984 581805544 /nfs/dbraw/zinc/80/55/44/581805544.db2.gz XCHTZDPXQDHCPH-UHFFFAOYSA-N 0 1 297.315 0.649 20 5 CCBDMN CC(C)C[C@@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000764849632 582070661 /nfs/dbraw/zinc/07/06/61/582070661.db2.gz CZZTXEZXJIESDT-SSDOTTSWSA-N 0 1 256.262 0.455 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(O)(C(C)C)C2)c1[N+](=O)[O-] ZINC000768303047 582105477 /nfs/dbraw/zinc/10/54/77/582105477.db2.gz LCOXLYPERLYGIL-UHFFFAOYSA-N 0 1 282.300 0.723 20 5 CCBDMN C[C@@H]1[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C(=O)[O-] ZINC000833830736 606041348 /nfs/dbraw/zinc/04/13/48/606041348.db2.gz XGZHQJQHAYZKIB-VHSXEESVSA-N 0 1 297.315 0.864 20 5 CCBDMN C[C@@H]1[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C(=O)[O-] ZINC000833830736 606041354 /nfs/dbraw/zinc/04/13/54/606041354.db2.gz XGZHQJQHAYZKIB-VHSXEESVSA-N 0 1 297.315 0.864 20 5 CCBDMN COc1cc([C@@H](C)NCC[N+](=O)[O-])ccc1OCCO ZINC000930207124 617216606 /nfs/dbraw/zinc/21/66/06/617216606.db2.gz DPRLAPSVESAGSZ-SNVBAGLBSA-N 0 1 284.312 0.994 20 5 CCBDMN CC(C)OC(=O)[C@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839703357 613997509 /nfs/dbraw/zinc/99/75/09/613997509.db2.gz JWWQAZIAODCKIX-DJLDLDEBSA-N 0 1 258.274 0.450 20 5 CCBDMN CC(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000948596471 613803975 /nfs/dbraw/zinc/80/39/75/613803975.db2.gz SWJMNJDFYJFBFV-GHMZBOCLSA-N 0 1 269.301 0.026 20 5 CCBDMN CC(C)(C)OC(=O)NC/C=C\CNCC[N+](=O)[O-] ZINC000905210007 613984114 /nfs/dbraw/zinc/98/41/14/613984114.db2.gz SJHKPXFXFCIYRN-PLNGDYQASA-N 0 1 259.306 0.934 20 5 CCBDMN CC(C)(C)OC(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839724056 613984291 /nfs/dbraw/zinc/98/42/91/613984291.db2.gz MNPUDBGKANAEJZ-BYIQDMNASA-N 0 1 299.327 0.849 20 5 CCBDMN CC(C)[C@@H](CO)ONC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000836894408 614104906 /nfs/dbraw/zinc/10/49/06/614104906.db2.gz QSFHJUWWAPYEEY-LLVKDONJSA-N 0 1 284.268 0.979 20 5 CCBDMN CCCN1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000891480795 614691433 /nfs/dbraw/zinc/69/14/33/614691433.db2.gz UKELIZUWYAHUJM-UHFFFAOYSA-N 0 1 253.306 0.860 20 5 CCBDMN CC1(C)C[C@@](C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C(=O)O1 ZINC000848145792 614770450 /nfs/dbraw/zinc/77/04/50/614770450.db2.gz AQIACNRNZOOFIB-OPVBNTEQSA-N 0 1 256.258 0.252 20 5 CCBDMN CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000952624254 614785352 /nfs/dbraw/zinc/78/53/52/614785352.db2.gz QPAPQIKYTMJCCB-WRWGMCAJSA-N 0 1 295.339 0.654 20 5 CCBDMN CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000969001948 614789279 /nfs/dbraw/zinc/78/92/79/614789279.db2.gz ZLSHDZVGXATKRN-LMLFDSFASA-N 0 1 281.312 0.263 20 5 CCBDMN CC1(C)C[C@](C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C(=O)O1 ZINC000848145791 614796970 /nfs/dbraw/zinc/79/69/70/614796970.db2.gz AQIACNRNZOOFIB-AMXGMDGSSA-N 0 1 256.258 0.252 20 5 CCBDMN CCOC(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839692861 615157271 /nfs/dbraw/zinc/15/72/71/615157271.db2.gz NCOYCDAPKYGXKG-RKDXNWHRSA-N 0 1 270.285 0.501 20 5 CCBDMN CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000898551874 615281088 /nfs/dbraw/zinc/28/10/88/615281088.db2.gz FCRMUFHQCSPREF-KYXWUPHJSA-N 0 1 288.275 0.401 20 5 CCBDMN CCOC(=O)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)C(C)=O ZINC000842370894 615284316 /nfs/dbraw/zinc/28/43/16/615284316.db2.gz ABQIASCAUXGZDF-QQRDMOCMSA-N 0 1 287.268 0.352 20 5 CCBDMN CCOC(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840255302 615308095 /nfs/dbraw/zinc/30/80/95/615308095.db2.gz BSURPHXTHRPOBP-HLTSFMKQSA-N 0 1 288.325 0.159 20 5 CCBDMN CCN1CC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000922155574 615323734 /nfs/dbraw/zinc/32/37/34/615323734.db2.gz BWYBZBPNNHPUGM-QWHCGFSZSA-N 0 1 293.323 0.839 20 5 CCBDMN CC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000839697013 615902263 /nfs/dbraw/zinc/90/22/63/615902263.db2.gz WNEBSTKQWIAALB-WUHRBBMRSA-N 0 1 297.355 0.900 20 5 CCBDMN CN(C)c1nc(COC(=O)[C@@H]2CC2[N+](=O)[O-])ns1 ZINC000840671194 616034347 /nfs/dbraw/zinc/03/43/47/616034347.db2.gz OTTWAXYEYXOBIJ-PHDIDXHHSA-N 0 1 272.286 0.313 20 5 CCBDMN COC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840471264 616294676 /nfs/dbraw/zinc/29/46/76/616294676.db2.gz DZUXGHBCEFXXPA-LURQLKTLSA-N 0 1 256.258 0.110 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1[C@@H]2CC[C@H]1CN(C)C2 ZINC000894879046 616371224 /nfs/dbraw/zinc/37/12/24/616371224.db2.gz PGOUVKXNEBENES-DTORHVGOSA-N 0 1 251.290 0.611 20 5 CCBDMN C[N@@H+]1CC[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000928555242 616431105 /nfs/dbraw/zinc/43/11/05/616431105.db2.gz MMWJOEYBMDTECC-VIFPVBQESA-N 0 1 265.269 0.734 20 5 CCBDMN C[N@H+]1CC[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000928555242 616431108 /nfs/dbraw/zinc/43/11/08/616431108.db2.gz MMWJOEYBMDTECC-VIFPVBQESA-N 0 1 265.269 0.734 20 5 CCBDMN CNC(=O)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837648420 616560894 /nfs/dbraw/zinc/56/08/94/616560894.db2.gz QUNIXRFDEAKPBU-UHFFFAOYSA-N 0 1 268.225 0.480 20 5 CCBDMN CO[C@@H]1CC[C@H]2OCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])[C@@H]2C1 ZINC000839713018 616715824 /nfs/dbraw/zinc/71/58/24/616715824.db2.gz OISPAEMBVHHTSU-LZQZFOIKSA-N 0 1 284.312 0.447 20 5 CCBDMN COC[C@H]1CCCN1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000862596770 616776861 /nfs/dbraw/zinc/77/68/61/616776861.db2.gz IYCWESIBJSLNEU-SSDOTTSWSA-N 0 1 269.261 0.074 20 5 CCBDMN COC(=O)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000817492054 616902387 /nfs/dbraw/zinc/90/23/87/616902387.db2.gz GGLVYPAJZASIFZ-HTQZYQBOSA-N 0 1 284.293 0.816 20 5 CCBDMN CON(C)C(=O)[C@@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863586378 617053521 /nfs/dbraw/zinc/05/35/21/617053521.db2.gz FUKOQIBTTHXQCD-BXKDBHETSA-N 0 1 297.311 0.626 20 5 CCBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc[nH]c1 ZINC000973255984 623683440 /nfs/dbraw/zinc/68/34/40/623683440.db2.gz KAWOJDIFCNQWDY-GWOFURMSSA-N 0 1 292.295 0.057 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CCN(C[C@H]2CCOC2)CC1 ZINC000892838213 623851516 /nfs/dbraw/zinc/85/15/16/623851516.db2.gz LYDRRHNDNKRYMH-LLVKDONJSA-N 0 1 295.343 0.487 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(Cc2ccoc2)C1 ZINC000890573392 624486925 /nfs/dbraw/zinc/48/69/25/624486925.db2.gz JKSZVCYXEAZLSE-GHMZBOCLSA-N 0 1 250.254 0.946 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1NCCCCN1CCOCC1 ZINC000891856644 624945442 /nfs/dbraw/zinc/94/54/42/624945442.db2.gz XEFNMSJBZOBMMF-UHFFFAOYSA-N 0 1 283.332 0.853 20 5 CCBDMN O=C(NCc1cc(C2CC2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC000894266938 631656011 /nfs/dbraw/zinc/65/60/11/631656011.db2.gz RDHJDWQYRRESHF-PSASIEDQSA-N 0 1 251.242 0.833 20 5 CCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000840673473 631713615 /nfs/dbraw/zinc/71/36/15/631713615.db2.gz OXVHRFYIQHSBJI-IWSPIJDZSA-N 0 1 257.242 0.191 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840505645 631758868 /nfs/dbraw/zinc/75/88/68/631758868.db2.gz NQLSZIUWQUUWEC-FVCCEPFGSA-N 0 1 276.292 0.986 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CCN(CCCCCO)CC1 ZINC000894965206 631887124 /nfs/dbraw/zinc/88/71/24/631887124.db2.gz CNQJSJMYSIXLDF-UHFFFAOYSA-N 0 1 297.359 0.613 20 5 CCBDMN O=[N+]([O-])CCNC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000905395425 634862676 /nfs/dbraw/zinc/86/26/76/634862676.db2.gz LSBRPJNXDPDQTO-ZDUSSCGKSA-N 0 1 280.328 0.149 20 5 CCBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1c1ccc([N+](=O)[O-])nc1 ZINC000910457489 635773491 /nfs/dbraw/zinc/77/34/91/635773491.db2.gz VJXOSVBNBQHIDH-SNVBAGLBSA-N 0 1 294.311 0.975 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](N2CCC2)C1 ZINC000912923117 636703692 /nfs/dbraw/zinc/70/36/92/636703692.db2.gz ZRQHPEAXWHVLJZ-JTQLQIEISA-N 0 1 279.300 0.098 20 5 CCBDMN CC1(CC(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001011114762 650286347 /nfs/dbraw/zinc/28/63/47/650286347.db2.gz WEPAPFQKKXKKOZ-GHMZBOCLSA-N 0 1 295.339 0.513 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168624316 637009082 /nfs/dbraw/zinc/00/90/82/637009082.db2.gz WDQCFFKNNIOTBX-UHFFFAOYSA-N 0 1 282.647 0.691 20 5 CCBDMN CN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000230685796 637181086 /nfs/dbraw/zinc/18/10/86/637181086.db2.gz VHCVVHUXWUEKKW-MRVPVSSYSA-N 0 1 279.300 0.396 20 5 CCBDMN O=[N+]([O-])c1cnn(CN2CC[C@H](CN3CCOCC3)C2)c1 ZINC000172934231 637197764 /nfs/dbraw/zinc/19/77/64/637197764.db2.gz KIRGOGGVROQCAL-GFCCVEGCSA-N 0 1 295.343 0.403 20 5 CCBDMN O=[N+]([O-])c1ccnn1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000172935704 637199852 /nfs/dbraw/zinc/19/98/52/637199852.db2.gz DERSATCVHKBOHK-LBPRGKRZSA-N 0 1 295.343 0.403 20 5 CCBDMN Nc1ccc(C(=O)NCCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000080633475 638363172 /nfs/dbraw/zinc/36/31/72/638363172.db2.gz XBHJNMSSPNSAGW-UHFFFAOYSA-N 0 1 276.256 0.268 20 5 CCBDMN Cc1coc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000997953227 638889805 /nfs/dbraw/zinc/88/98/05/638889805.db2.gz KIHGPVIEKFZJHT-NXEZZACHSA-N 0 1 293.279 0.194 20 5 CCBDMN CC(C)(C)C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000999377430 638977229 /nfs/dbraw/zinc/97/72/29/638977229.db2.gz REJOKPVWDXIFRW-RKDXNWHRSA-N 0 1 269.301 0.025 20 5 CCBDMN CC(C)CC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001795535 639338878 /nfs/dbraw/zinc/33/88/78/639338878.db2.gz HBHFLWBCMIMPLA-GHMZBOCLSA-N 0 1 283.328 0.272 20 5 CCBDMN O=C(N[C@H]1CCN(c2ccccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839712986 640356749 /nfs/dbraw/zinc/35/67/49/640356749.db2.gz OBSJBJMSHPRPDQ-HBNTYKKESA-N 0 1 276.296 0.442 20 5 CCBDMN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C[C@H](C)O2 ZINC000839750044 640360247 /nfs/dbraw/zinc/36/02/47/640360247.db2.gz HGLGNYJKKLWNNM-OJROKELRSA-N 0 1 298.339 0.837 20 5 CCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000839751048 640360974 /nfs/dbraw/zinc/36/09/74/640360974.db2.gz VHXRDMBJUPMCLY-SBFPOUOMSA-N 0 1 284.312 0.448 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H](C2CCC2)C1 ZINC000839778889 640364568 /nfs/dbraw/zinc/36/45/68/640364568.db2.gz JKCNDMOTDAARTP-QJPTWQEYSA-N 0 1 268.313 0.927 20 5 CCBDMN O=C(N[C@H]([C@@H](CO)C1CC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839784014 640365433 /nfs/dbraw/zinc/36/54/33/640365433.db2.gz YZIIKYQYCXQFPG-KXNHARMFSA-N 0 1 268.313 0.565 20 5 CCBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)N1CCOCC1 ZINC000799637151 640589262 /nfs/dbraw/zinc/58/92/62/640589262.db2.gz VPJPHQONOIRINF-QMMMGPOBSA-N 0 1 297.267 0.327 20 5 CCBDMN O=C(Nc1cccc2c1CCNC2=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839897382 640604273 /nfs/dbraw/zinc/60/42/73/640604273.db2.gz WNUUNKQBAVDWAQ-MWLCHTKSSA-N 0 1 275.264 0.576 20 5 CCBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1nnc[nH]1 ZINC000801839437 640669237 /nfs/dbraw/zinc/66/92/37/640669237.db2.gz OLHIOWLQUKOOHM-UHFFFAOYSA-N 0 1 280.219 0.364 20 5 CCBDMN Nc1ccc([N+](=O)[O-])c(N2CC(N3CC[C@@H](O)C3)C2)c1 ZINC000826567263 641945486 /nfs/dbraw/zinc/94/54/86/641945486.db2.gz FMJVQIVAQGUFLI-LLVKDONJSA-N 0 1 278.312 0.432 20 5 CCBDMN O=C(N[C@@H]1C[C@H]1C1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000830206982 642242286 /nfs/dbraw/zinc/24/22/86/642242286.db2.gz FDFGZGUEKPDTHM-LNFKQOIKSA-N 0 1 254.286 0.583 20 5 CCBDMN C[C@@H](CNC(=O)c1cccnc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842322476 642891662 /nfs/dbraw/zinc/89/16/62/642891662.db2.gz UEQRVKCGIVJHRD-JMJZKYOTSA-N 0 1 293.279 0.408 20 5 CCBDMN O=C(OCCCOCC(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000842346995 642892236 /nfs/dbraw/zinc/89/22/36/642892236.db2.gz IWIWKZFBBNVZNN-RNFRBKRXSA-N 0 1 253.201 0.867 20 5 CCBDMN C[C@H](CO)[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855460456 644321098 /nfs/dbraw/zinc/32/10/98/644321098.db2.gz DPNFUAJYTJVIAU-GWOFURMSSA-N 0 1 256.302 0.661 20 5 CCBDMN C[S@](=O)CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000879270830 647041313 /nfs/dbraw/zinc/04/13/13/647041313.db2.gz BFYIMNZXTTXIRM-BLVKFPJESA-N 0 1 286.353 0.770 20 5 CCBDMN C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000886249136 647936132 /nfs/dbraw/zinc/93/61/32/647936132.db2.gz DGFRPCFONSJPQU-RYUDHWBXSA-N 0 1 294.355 0.877 20 5 CCBDMN O=C(NCC[C@H]1CCCC[C@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000887555174 648128660 /nfs/dbraw/zinc/12/86/60/648128660.db2.gz UOIYGSLWCNQUQZ-GWOFURMSSA-N 0 1 256.302 0.709 20 5 CCBDMN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000926291028 648495468 /nfs/dbraw/zinc/49/54/68/648495468.db2.gz SQGHGJPICMAOEP-WRWGMCAJSA-N 0 1 294.311 0.501 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1c1nnc[nH]1 ZINC001167527208 791510722 /nfs/dbraw/zinc/51/07/22/791510722.db2.gz MMTKXKVOZHQEKZ-VIFPVBQESA-N 0 1 291.271 0.273 20 5 CCBDMN O=[N+]([O-])C[C@H](Oc1nc(F)nc2nc[nH]c21)C1CC1 ZINC001234688438 806297639 /nfs/dbraw/zinc/29/76/39/806297639.db2.gz AOFJKGWNIDIPGO-LURJTMIESA-N 0 1 267.220 0.926 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC001121934193 799099376 /nfs/dbraw/zinc/09/93/76/799099376.db2.gz ZSJMIYKRTOMOPL-PHIMTYICSA-N 0 1 293.327 0.453 20 5 CCBDMN Cn1nnc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC001124396609 799601489 /nfs/dbraw/zinc/60/14/89/799601489.db2.gz RAXVDCMVPJNSOS-UHFFFAOYSA-N 0 1 266.192 0.510 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2ncc([N+](=O)[O-])cc2F)S1 ZINC001155836041 801061183 /nfs/dbraw/zinc/06/11/83/801061183.db2.gz AWVNDSSXGFPSGJ-SSDOTTSWSA-N 0 1 272.217 0.850 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2ncc([N+](=O)[O-])cc2F)S1 ZINC001155836042 801061849 /nfs/dbraw/zinc/06/18/49/801061849.db2.gz AWVNDSSXGFPSGJ-ZETCQYMHSA-N 0 1 272.217 0.850 20 5 CCBDMN Cc1ncc([N+](=O)[O-])c(NCCNC(=O)C(F)(F)F)n1 ZINC001156199806 801128257 /nfs/dbraw/zinc/12/82/57/801128257.db2.gz LGOVQTUHSUEKNT-UHFFFAOYSA-N 0 1 293.205 0.784 20 5 CCBDMN CN1CCN(C)CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC001156955953 801271546 /nfs/dbraw/zinc/27/15/46/801271546.db2.gz GWKBUHXYQRATPB-UHFFFAOYSA-N 0 1 295.343 0.242 20 5 CCBDMN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NCC2CN(C)C2)n1 ZINC001159222145 801775207 /nfs/dbraw/zinc/77/52/07/801775207.db2.gz ICEFSKAORHFLHC-UHFFFAOYSA-N 0 1 294.315 0.625 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(F)(F)[C@@H](CO)C1 ZINC001159411162 801800747 /nfs/dbraw/zinc/80/07/47/801800747.db2.gz CMNDKVVLUHDIBM-BWZBUEFSSA-N 0 1 264.228 0.128 20 5 CCBDMN Cc1nc(OC[C@@H]2CN(C)CCO2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377316 814950998 /nfs/dbraw/zinc/95/09/98/814950998.db2.gz AOFLUIOBHQLZLM-QMMMGPOBSA-N 0 1 284.272 0.108 20 5 CCBDMN CC(C)[N@H+]1CC[C@@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])C1 ZINC001226331478 805220581 /nfs/dbraw/zinc/22/05/81/805220581.db2.gz KNUGUZYNRQIJIT-MRVPVSSYSA-N 0 1 268.273 0.952 20 5 CCBDMN CC(C)[N@@H+]1CC[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228145049 805417495 /nfs/dbraw/zinc/41/74/95/805417495.db2.gz YOBUOYBDIQPELL-MRVPVSSYSA-N 0 1 268.273 0.952 20 5 CCBDMN CC(C)[N@H+]1CC[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228145049 805417500 /nfs/dbraw/zinc/41/75/00/805417500.db2.gz YOBUOYBDIQPELL-MRVPVSSYSA-N 0 1 268.273 0.952 20 5 CCBDMN CC[C@@H](O)C(=O)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229378690 805526967 /nfs/dbraw/zinc/52/69/67/805526967.db2.gz JHBTUKSWAMMQCU-RXMQYKEDSA-N 0 1 257.202 0.075 20 5 CCBDMN CC(=O)N1CCC[C@H](Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001229375492 805527490 /nfs/dbraw/zinc/52/74/90/805527490.db2.gz FTXFSZCNPCPREZ-VIFPVBQESA-N 0 1 296.283 0.789 20 5 CCBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCOC[C@H](O)C1)C2 ZINC001254595001 808264343 /nfs/dbraw/zinc/26/43/43/808264343.db2.gz UQMQNDVHRDDHES-ZIAGYGMSSA-N 0 1 278.308 0.755 20 5 CCBDMN CN1C[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1=O ZINC001263476797 809522239 /nfs/dbraw/zinc/52/22/39/809522239.db2.gz DMNKUPKNXRSREY-DJLDLDEBSA-N 0 1 256.258 0.063 20 5 CCBDMN O=C(NCCNCc1coc(C2CC2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126938752 815332911 /nfs/dbraw/zinc/33/29/11/815332911.db2.gz JMEQFELXNRNFQH-GHMZBOCLSA-N 0 1 294.311 0.423 20 5 CCBDMN CC[C@@H]1[C@@H](CO)CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC001141551399 813737739 /nfs/dbraw/zinc/73/77/39/813737739.db2.gz ZTPQARZMIBDBCE-RKDXNWHRSA-N 0 1 282.300 0.859 20 5 CCBDMN CC[C@H]1[C@@H](CO)CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC001141551396 813739208 /nfs/dbraw/zinc/73/92/08/813739208.db2.gz ZTPQARZMIBDBCE-BDAKNGLRSA-N 0 1 282.300 0.859 20 5 CCBDMN O=C(NCc1nnc[nH]1)c1c(F)cccc1[N+](=O)[O-] ZINC000714013135 814480647 /nfs/dbraw/zinc/48/06/47/814480647.db2.gz MCTVCJCOUPCISG-UHFFFAOYSA-N 0 1 265.204 0.782 20 5 CCBDMN O=C(NC1CN(Cc2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030291816 815961214 /nfs/dbraw/zinc/96/12/14/815961214.db2.gz LBKSUNDDYXQNDB-CHWSQXEVSA-N 0 1 293.298 0.791 20 5 CCBDMN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCNC[C@@H]1CO ZINC001122207851 816611945 /nfs/dbraw/zinc/61/19/45/816611945.db2.gz IYKIJRVLSJFYKQ-ACVFHECNSA-N 0 1 291.307 0.401 20 5 CCBDMN O=C(NCC1CN(Cc2cncs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662524 817228633 /nfs/dbraw/zinc/22/86/33/817228633.db2.gz GBSUDFXLRMFCTP-GHMZBOCLSA-N 0 1 296.352 0.356 20 5 CCBDMN CC(C)C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989425 820127899 /nfs/dbraw/zinc/12/78/99/820127899.db2.gz CWFHMRQPLDKHIH-NXEZZACHSA-N 0 1 283.328 0.463 20 5 CCBDMN CCc1n[nH]c(C(=O)N[C@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC001155894627 822274662 /nfs/dbraw/zinc/27/46/62/822274662.db2.gz WLIREMQZFHILHQ-CBAPKCEASA-N 0 1 281.316 0.703 20 5 CCBDMN O=C(NCc1nnc(C2CC2)s1)[C@@H]1CC1[N+](=O)[O-] ZINC001129885840 837574140 /nfs/dbraw/zinc/57/41/40/837574140.db2.gz NDOCESMOQDJZHP-RNFRBKRXSA-N 0 1 268.298 0.697 20 5 CCBDMN NCc1nnnn1-c1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001168920199 836050415 /nfs/dbraw/zinc/05/04/15/836050415.db2.gz ACUBLNHMKOJIFN-UHFFFAOYSA-N 0 1 289.230 0.717 20 5 CCBDMN NCc1nnnn1-c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001168918805 836051162 /nfs/dbraw/zinc/05/11/62/836051162.db2.gz LMSWWNMSOHOFDY-UHFFFAOYSA-N 0 1 296.678 0.350 20 5 CCBDMN NCc1nccnc1N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987502 836101041 /nfs/dbraw/zinc/10/10/41/836101041.db2.gz JDKGJLNXXQFWMD-RKDXNWHRSA-N 0 1 251.290 0.793 20 5 CCBDMN CS(=O)(=O)C1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169033634 836108366 /nfs/dbraw/zinc/10/83/66/836108366.db2.gz CQWBNYZMSFEJTJ-QWRGUYRKSA-N 0 1 290.385 0.941 20 5 CCBDMN COC[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169037042 836109954 /nfs/dbraw/zinc/10/99/54/836109954.db2.gz HYUJWWDHKACAJG-UTUOFQBUSA-N 0 1 258.318 0.779 20 5 CCBDMN CN(C)C(=O)CN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169023278 836115072 /nfs/dbraw/zinc/11/50/72/836115072.db2.gz DYIICKGHURTCEV-CHWSQXEVSA-N 0 1 298.387 0.138 20 5 CCBDMN COc1nc(-n2c(C)cnc2CN)nc(OC)c1[N+](=O)[O-] ZINC001158164903 837953225 /nfs/dbraw/zinc/95/32/25/837953225.db2.gz TXAACIOKVSFDEL-UHFFFAOYSA-N 0 1 294.271 0.355 20 5 CCBDMN COc1ncnc(-n2c(C)cnc2CN)c1[N+](=O)[O-] ZINC001158164205 837953269 /nfs/dbraw/zinc/95/32/69/837953269.db2.gz JIJGABBPQWDFFF-UHFFFAOYSA-N 0 1 264.245 0.346 20 5 CCBDMN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccn(C)n1 ZINC001171018525 839739178 /nfs/dbraw/zinc/73/91/78/839739178.db2.gz QMFNREHTQKZHSV-SECBINFHSA-N 0 1 264.289 0.876 20 5 CCBDMN NC(=O)c1ccnc(N2CC(N3CCCC3)C2)c1[N+](=O)[O-] ZINC001186980600 844631605 /nfs/dbraw/zinc/63/16/05/844631605.db2.gz MFWIDEAVCLESQY-UHFFFAOYSA-N 0 1 291.311 0.373 20 5 CCBDMN Cc1ccc(NCCNC(=O)c2ncn[nH]2)c([N+](=O)[O-])c1 ZINC001093793289 841460032 /nfs/dbraw/zinc/46/00/32/841460032.db2.gz LYEWDIPSTWKYHV-UHFFFAOYSA-N 0 1 290.283 0.863 20 5 CCBDMN Cc1ccc(NCCNC(=O)c2nc[nH]n2)c([N+](=O)[O-])c1 ZINC001093793289 841460038 /nfs/dbraw/zinc/46/00/38/841460038.db2.gz LYEWDIPSTWKYHV-UHFFFAOYSA-N 0 1 290.283 0.863 20 5 CCBDMN O=C(N[C@@H]1CN2CCC1CC2)c1c[nH]nc1[N+](=O)[O-] ZINC001176467921 842372167 /nfs/dbraw/zinc/37/21/67/842372167.db2.gz UMUUPMVAQBWUSM-SECBINFHSA-N 0 1 265.273 0.142 20 5 CCBDMN CNc1nccc(C(=O)NCc2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC001180004659 843095545 /nfs/dbraw/zinc/09/55/45/843095545.db2.gz HDCIFBOGDAEJMK-UHFFFAOYSA-N 0 1 291.271 0.388 20 5 CCBDMN C[C@@](CO)(NC[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC001196906538 846818569 /nfs/dbraw/zinc/81/85/69/846818569.db2.gz ALIKHJXEPZSFGY-FZMZJTMJSA-N 0 1 293.323 0.671 20 5 CCBDMN O=C(NCc1c[nH]nn1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001137238656 848268849 /nfs/dbraw/zinc/26/88/49/848268849.db2.gz RBIGWRJGNHKHAH-SNVBAGLBSA-N 0 1 277.240 0.063 20 5 CCBDMN CCC(=O)NC1(CC)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368557 853960643 /nfs/dbraw/zinc/96/06/43/853960643.db2.gz XFVBUWNOYZWPKO-GHMZBOCLSA-N 0 1 297.355 0.949 20 5 CCBDMN Nc1cccc([N+](=O)[O-])c1C(=O)NCCc1nc[nH]n1 ZINC001116502304 855778215 /nfs/dbraw/zinc/77/82/15/855778215.db2.gz QUNUDSADHBYLOV-UHFFFAOYSA-N 0 1 276.256 0.268 20 5 CCBDMN CSc1nc(NC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC001323393248 912317454 /nfs/dbraw/zinc/31/74/54/912317454.db2.gz YJKPACNTNXCGNB-UHFFFAOYSA-N 0 1 283.273 0.421 20 5 CCBDMN CCc1cnc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001481229372 892397123 /nfs/dbraw/zinc/39/71/23/892397123.db2.gz OGHJRJLBMMYADL-GHMZBOCLSA-N 0 1 296.327 0.450 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1CCOC1 ZINC001327080591 914359021 /nfs/dbraw/zinc/35/90/21/914359021.db2.gz QDJFBITYVXKYOH-MRVPVSSYSA-N 0 1 287.297 0.305 20 5 CCBDMN CN(CCNC(=O)c1cc(F)c[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284555860 905369908 /nfs/dbraw/zinc/36/99/08/905369908.db2.gz WBWFHUNJWUEFKM-PSASIEDQSA-N 0 1 298.274 0.007 20 5 CCBDMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC001285460480 905645176 /nfs/dbraw/zinc/64/51/76/905645176.db2.gz PQLFISVGFDWZHA-UFLMBTITSA-N 0 1 293.279 0.347 20 5 CCBDMN O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001337109189 921188454 /nfs/dbraw/zinc/18/84/54/921188454.db2.gz NPGOSGRRVJJSEN-PELKAZGASA-N 0 1 296.283 0.386 20 5 CCBDMN O=C(NCC[NH+]1CC=CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001337430086 921249684 /nfs/dbraw/zinc/24/96/84/921249684.db2.gz RMNYZODMLOVNGS-UHFFFAOYSA-N 0 1 277.280 0.902 20 5 CCBDMN CCC(=O)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001296700372 906947532 /nfs/dbraw/zinc/94/75/32/906947532.db2.gz TZBVYIPOSXHUQH-GHMZBOCLSA-N 0 1 285.344 0.805 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC001307848454 908356295 /nfs/dbraw/zinc/35/62/95/908356295.db2.gz HXTMJHRIRKNUGA-KWCYVHTRSA-N 0 1 296.323 0.303 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H](O)[C@H](CO)C2)cc1 ZINC001307848452 908358542 /nfs/dbraw/zinc/35/85/42/908358542.db2.gz HXTMJHRIRKNUGA-FPMFFAJLSA-N 0 1 296.323 0.303 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)N1CCNCC1 ZINC001328189775 915021568 /nfs/dbraw/zinc/02/15/68/915021568.db2.gz KZXOWFUXTUEQJX-UHFFFAOYSA-N 0 1 279.300 0.101 20 5 CCBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3nnc[nH]3)CC2)n1 ZINC001328409767 915174623 /nfs/dbraw/zinc/17/46/23/915174623.db2.gz HIDJIMBIFZHAIR-UHFFFAOYSA-N 0 1 277.288 0.747 20 5 CCBDMN CC(C)(CCC(=O)N1CC[C@H](c2nc[nH]n2)C1)[N+](=O)[O-] ZINC001332036772 917816195 /nfs/dbraw/zinc/81/61/95/917816195.db2.gz IWMHWBHUFMUWML-VIFPVBQESA-N 0 1 281.316 0.956 20 5 CCBDMN CN(Cc1cnc[nH]1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC001334458619 919600571 /nfs/dbraw/zinc/60/05/71/919600571.db2.gz KRYQVOIQLOLRQA-UHFFFAOYSA-N 0 1 264.245 0.324 20 5 CCBDMN O=C1Nc2ccccc2[C@]12CCN(CC[N+](=O)[O-])C2 ZINC001351332583 925406399 /nfs/dbraw/zinc/40/63/99/925406399.db2.gz JTFFHKWMLBSFEX-CYBMUJFWSA-N 0 1 261.281 0.859 20 5 CCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1(C)CC1 ZINC001356470172 926388051 /nfs/dbraw/zinc/38/80/51/926388051.db2.gz RLRIQQIRURAQFA-GHMZBOCLSA-N 0 1 297.355 0.807 20 5 CCBDMN CC(C)C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001356937060 926466335 /nfs/dbraw/zinc/46/63/35/926466335.db2.gz VZJRPQGZSQQAHJ-GHMZBOCLSA-N 0 1 297.355 0.853 20 5 CCBDMN COC(=O)c1ccnc(NCC[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC001559277735 926918303 /nfs/dbraw/zinc/91/83/03/926918303.db2.gz AICLMBVFKMNQHX-UHFFFAOYSA-N 0 1 298.299 0.112 20 5 CCBDMN COC[C@]1(C(=O)[O-])CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC001593967204 956565528 /nfs/dbraw/zinc/56/55/28/956565528.db2.gz FKWKYZAITPLVEA-NSHDSACASA-N 0 1 284.272 0.172 20 5 CCBDMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC001593967204 956565530 /nfs/dbraw/zinc/56/55/30/956565530.db2.gz FKWKYZAITPLVEA-NSHDSACASA-N 0 1 284.272 0.172 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000599596389 361756203 /nfs/dbraw/zinc/75/62/03/361756203.db2.gz SSZBIQPEKLOAFS-RWMBFGLXSA-N 0 1 296.327 0.406 20 5 CCBDMN O=C1CCN(CNCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000273142091 192055720 /nfs/dbraw/zinc/05/57/20/192055720.db2.gz XAIVFDMFAIFHSO-UHFFFAOYSA-N 0 1 267.289 0.003 20 5 CCBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@@H](O)C1 ZINC000600535672 362006309 /nfs/dbraw/zinc/00/63/09/362006309.db2.gz QSBFSAUWXLWAJJ-GFCCVEGCSA-N 0 1 293.323 0.700 20 5 CCBDMN O=C(NCCN1CC[C@@H](O)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000600537202 362006381 /nfs/dbraw/zinc/00/63/81/362006381.db2.gz ZBSRQOZHPISSJH-GFCCVEGCSA-N 0 1 297.286 0.530 20 5 CCBDMN COC[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602467321 362632439 /nfs/dbraw/zinc/63/24/39/362632439.db2.gz HJIXENVXLCSOAE-SECBINFHSA-N 0 1 254.290 0.797 20 5 CCBDMN CCN(Cc1cn(C)nc1[N+](=O)[O-])CC(C)(C)O ZINC000602472888 362635951 /nfs/dbraw/zinc/63/59/51/362635951.db2.gz QXDRATPIXZLMRK-UHFFFAOYSA-N 0 1 256.306 0.921 20 5 CCBDMN CC(C)[C@@H]1CNCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000602527719 362658453 /nfs/dbraw/zinc/65/84/53/362658453.db2.gz KHNSRRDIBITGHJ-VIFPVBQESA-N 0 1 281.316 0.398 20 5 CCBDMN CCc1ccc(C(=O)NC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000602552531 362675230 /nfs/dbraw/zinc/67/52/30/362675230.db2.gz UJLKRBSEBLCBBX-LBPRGKRZSA-N 0 1 293.323 0.875 20 5 CCBDMN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H](C)N1C ZINC000602677596 362745698 /nfs/dbraw/zinc/74/56/98/362745698.db2.gz XDNIVXOOCVABKG-AOOOYVTPSA-N 0 1 267.333 0.853 20 5 CCBDMN C[C@@H]1C[C@H](CO)CN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602699000 362758526 /nfs/dbraw/zinc/75/85/26/362758526.db2.gz OXKMNXVFSAEQJI-ZJUUUORDSA-N 0 1 268.317 0.779 20 5 CCBDMN C[C@H]1C[C@@H](CO)CN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602698998 362759180 /nfs/dbraw/zinc/75/91/80/362759180.db2.gz OXKMNXVFSAEQJI-VHSXEESVSA-N 0 1 268.317 0.779 20 5 CCBDMN Cn1cc(CN[C@@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])n1 ZINC000602718794 362768268 /nfs/dbraw/zinc/76/82/68/362768268.db2.gz TYPWCUGJSKNWBK-NXEZZACHSA-N 0 1 266.301 0.721 20 5 CCBDMN Cn1cc(CN2CCC[C@]2(C)CO)c([N+](=O)[O-])n1 ZINC000602810386 362811652 /nfs/dbraw/zinc/81/16/52/362811652.db2.gz TUJJQWNDLDOHFH-LLVKDONJSA-N 0 1 254.290 0.675 20 5 CCBDMN O=C(COc1ccccc1[N+](=O)[O-])NCCc1nc[nH]n1 ZINC000080578013 136790550 /nfs/dbraw/zinc/79/05/50/136790550.db2.gz SWYSOCHXHVQHTN-UHFFFAOYSA-N 0 1 291.267 0.451 20 5 CCBDMN C[C@H]1[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CCCN1C ZINC000343571758 137142879 /nfs/dbraw/zinc/14/28/79/137142879.db2.gz VAIFOKQFWOJPMS-IUCAKERBSA-N 0 1 281.316 0.541 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cn[nH]c1C ZINC000051381407 348489037 /nfs/dbraw/zinc/48/90/37/348489037.db2.gz YPJQGJFYJGTLOA-UHFFFAOYSA-N 0 1 278.272 0.448 20 5 CCBDMN CN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057833406 348616606 /nfs/dbraw/zinc/61/66/06/348616606.db2.gz IAGZYZHUXQFYGV-UHFFFAOYSA-N 0 1 292.339 0.805 20 5 CCBDMN C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000075648866 349045035 /nfs/dbraw/zinc/04/50/35/349045035.db2.gz XBMGTCAQDZHFOY-JQWIXIFHSA-N 0 1 298.343 0.652 20 5 CCBDMN C[C@H]1C[C@@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000124100331 350089242 /nfs/dbraw/zinc/08/92/42/350089242.db2.gz FYRIOUWBMOACEX-QWRGUYRKSA-N 0 1 295.343 0.732 20 5 CCBDMN C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000128917376 350201341 /nfs/dbraw/zinc/20/13/41/350201341.db2.gz GFVBVWKJTQVOFV-ZETCQYMHSA-N 0 1 297.296 0.752 20 5 CCBDMN CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000130915833 350254017 /nfs/dbraw/zinc/25/40/17/350254017.db2.gz AXFPCVMPBYJUDX-UHFFFAOYSA-N 0 1 293.370 0.886 20 5 CCBDMN CS(=O)(=O)c1cccc(NCc2nnc[nH]2)c1[N+](=O)[O-] ZINC000137964751 350439093 /nfs/dbraw/zinc/43/90/93/350439093.db2.gz QGTMRWCDSZASFW-UHFFFAOYSA-N 0 1 297.296 0.729 20 5 CCBDMN CCOCCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136778438 350428283 /nfs/dbraw/zinc/42/82/83/350428283.db2.gz LWSATEWRQFALDZ-UHFFFAOYSA-N 0 1 256.262 0.864 20 5 CCBDMN C[C@H](CN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000106820349 186137551 /nfs/dbraw/zinc/13/75/51/186137551.db2.gz PXDCMOQPGWUZOA-SNVBAGLBSA-N 0 1 296.327 0.554 20 5 CCBDMN CNCc1cn(CCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603201446 362997870 /nfs/dbraw/zinc/99/78/70/362997870.db2.gz NUIZMTUQNMFRAD-UHFFFAOYSA-N 0 1 277.284 0.985 20 5 CCBDMN CC(C)(CC(N)=O)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000186230889 351486422 /nfs/dbraw/zinc/48/64/22/351486422.db2.gz AOMPXUIZXCHELN-UHFFFAOYSA-N 0 1 294.311 0.437 20 5 CCBDMN CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186819968 351516833 /nfs/dbraw/zinc/51/68/33/351516833.db2.gz TXUMWMNQYSSXJS-SNVBAGLBSA-N 0 1 294.311 0.910 20 5 CCBDMN CC[N@H+]1CCC[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186819968 351516835 /nfs/dbraw/zinc/51/68/35/351516835.db2.gz TXUMWMNQYSSXJS-SNVBAGLBSA-N 0 1 294.311 0.910 20 5 CCBDMN O=C(NCCOCC(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000188054597 351570280 /nfs/dbraw/zinc/57/02/80/351570280.db2.gz OOGIZZZBXRUWFC-UHFFFAOYSA-N 0 1 264.188 0.329 20 5 CCBDMN CCCN(CC(=O)NC)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000188249174 351582681 /nfs/dbraw/zinc/58/26/81/351582681.db2.gz DGLJDMCXKPCFJB-UHFFFAOYSA-N 0 1 297.315 0.479 20 5 CCBDMN CN(CC[N@H+](C)C1CC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194022294 351852778 /nfs/dbraw/zinc/85/27/78/351852778.db2.gz ZABWNJOARBQRCC-UHFFFAOYSA-N 0 1 294.311 0.862 20 5 CCBDMN CN(CC[N@@H+](C)C1CC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194022294 351852784 /nfs/dbraw/zinc/85/27/84/351852784.db2.gz ZABWNJOARBQRCC-UHFFFAOYSA-N 0 1 294.311 0.862 20 5 CCBDMN C[C@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000122837186 187054552 /nfs/dbraw/zinc/05/45/52/187054552.db2.gz ZZMMIAXEJXJJQO-ZCFIWIBFSA-N 0 1 278.261 0.393 20 5 CCBDMN CN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CCCN(C)C1 ZINC000230697676 352117700 /nfs/dbraw/zinc/11/77/00/352117700.db2.gz DYRWKMZAFLIZFM-VIFPVBQESA-N 0 1 293.327 0.738 20 5 CCBDMN Cc1ccc(C(=O)NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000235846225 352189689 /nfs/dbraw/zinc/18/96/89/352189689.db2.gz FVCDPGBVTCUPFA-LLVKDONJSA-N 0 1 279.296 0.621 20 5 CCBDMN Cc1cnc(NC[C@@H]2COCCN2)c([N+](=O)[O-])c1 ZINC000235924891 352190574 /nfs/dbraw/zinc/19/05/74/352190574.db2.gz JIDHOZQBLUTMPM-SECBINFHSA-N 0 1 252.274 0.699 20 5 CCBDMN Cc1c(CC(=O)NCc2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000269749247 352871450 /nfs/dbraw/zinc/87/14/50/352871450.db2.gz ZEODDEDENSROJS-UHFFFAOYSA-N 0 1 275.268 0.880 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CCO)C2CCC2)c1[N+](=O)[O-] ZINC000278049562 353280411 /nfs/dbraw/zinc/28/04/11/353280411.db2.gz WUGKPYLEZYDRJS-UHFFFAOYSA-N 0 1 282.300 0.867 20 5 CCBDMN C[C@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCOC1=O ZINC000292505623 198313272 /nfs/dbraw/zinc/31/32/72/198313272.db2.gz PJKYZRCNTLVJLC-LBPRGKRZSA-N 0 1 280.236 0.736 20 5 CCBDMN CCC(CC)(CCO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000283150498 353484979 /nfs/dbraw/zinc/48/49/79/353484979.db2.gz OKXLIFBRGBATBO-UHFFFAOYSA-N 0 1 270.289 0.989 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@](F)(CO)C2)c1[N+](=O)[O-] ZINC000286659752 353602587 /nfs/dbraw/zinc/60/25/87/353602587.db2.gz DTMFGSIAPCCVIP-NSHDSACASA-N 0 1 286.263 0.563 20 5 CCBDMN CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000290762682 353748056 /nfs/dbraw/zinc/74/80/56/353748056.db2.gz KJLUOUIFIXDBOY-SECBINFHSA-N 0 1 293.327 0.619 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCn3cncc3C2)c1[N+](=O)[O-] ZINC000291244788 353775493 /nfs/dbraw/zinc/77/54/93/353775493.db2.gz XQECMRPCFZDXGY-UHFFFAOYSA-N 0 1 290.283 0.733 20 5 CCBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H](C)CO ZINC000293578247 353822128 /nfs/dbraw/zinc/82/21/28/353822128.db2.gz FSHCFTWFSMSAMK-ZCFIWIBFSA-N 0 1 256.262 0.469 20 5 CCBDMN C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)N1C ZINC000294077804 353866161 /nfs/dbraw/zinc/86/61/61/353866161.db2.gz WKFRACVZSWHXDI-AOOOYVTPSA-N 0 1 281.316 0.342 20 5 CCBDMN Nc1nc(NCCCCN2CCOCC2)ncc1[N+](=O)[O-] ZINC000298700355 353964820 /nfs/dbraw/zinc/96/48/20/353964820.db2.gz HISBPXPKICCCKX-UHFFFAOYSA-N 0 1 296.331 0.491 20 5 CCBDMN C[C@]1(CO)CCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000305696488 354151428 /nfs/dbraw/zinc/15/14/28/354151428.db2.gz CBKYGZIIXXRCHP-LDYMZIIASA-N 0 1 268.273 0.599 20 5 CCBDMN CC[C@@H]1CO[C@H](C)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331283832 354517312 /nfs/dbraw/zinc/51/73/12/354517312.db2.gz WRLGLVQECLFVBO-NQBHXWOUSA-N 0 1 298.343 0.652 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](F)C[C@H]2CO)c1[N+](=O)[O-] ZINC000332672042 354717171 /nfs/dbraw/zinc/71/71/71/354717171.db2.gz QZHBNXLLVQOULM-BQBZGAKWSA-N 0 1 286.263 0.425 20 5 CCBDMN CN1CC[C@@](O)(CNc2ncc([N+](=O)[O-])s2)C1 ZINC000336960471 355233083 /nfs/dbraw/zinc/23/30/83/355233083.db2.gz AAZBGYLZPNPNMR-SECBINFHSA-N 0 1 258.303 0.530 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000378101084 137802485 /nfs/dbraw/zinc/80/24/85/137802485.db2.gz VRFMSXSHFWEOGM-IVZWLZJFSA-N 0 1 284.703 0.975 20 5 CCBDMN Cc1cc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000609595208 363507798 /nfs/dbraw/zinc/50/77/98/363507798.db2.gz RQCNZAPDPXYAHP-UHFFFAOYSA-N 0 1 278.272 0.529 20 5 CCBDMN Cc1ccnc(Nc2ccn(CC(N)=O)n2)c1[N+](=O)[O-] ZINC000360273851 356982063 /nfs/dbraw/zinc/98/20/63/356982063.db2.gz VEBZPMZIRWJBMA-UHFFFAOYSA-N 0 1 276.256 0.146 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000366222514 357193299 /nfs/dbraw/zinc/19/32/99/357193299.db2.gz ILAOWUIRFFQCDC-MRVPVSSYSA-N 0 1 294.311 0.989 20 5 CCBDMN CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])[C@H]2C1 ZINC000366808797 357241156 /nfs/dbraw/zinc/24/11/56/357241156.db2.gz OISPAEMBVHHTSU-JCIQBVFBSA-N 0 1 284.312 0.447 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1cc[nH]n1 ZINC000376104512 357433594 /nfs/dbraw/zinc/43/35/94/357433594.db2.gz WTJQRFKHEJGTRM-SZEHBUNVSA-N 0 1 250.258 0.738 20 5 CCBDMN Cc1c(CN2C[C@H](O)C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000610604355 363584859 /nfs/dbraw/zinc/58/48/59/363584859.db2.gz NGAIXZWCDHTQLE-TXEJJXNPSA-N 0 1 266.297 0.831 20 5 CCBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405289653 357823436 /nfs/dbraw/zinc/82/34/36/357823436.db2.gz ZKBWUVPUUWAGHV-VHSXEESVSA-N 0 1 298.730 0.898 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC3(C2)CCOC3)c1[N+](=O)[O-] ZINC000294567396 199089262 /nfs/dbraw/zinc/08/92/62/199089262.db2.gz VPCHGYFAWMLOQT-UHFFFAOYSA-N 0 1 266.257 0.489 20 5 CCBDMN Cn1c(C(=O)NCc2n[nH]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000452420456 236245577 /nfs/dbraw/zinc/24/55/77/236245577.db2.gz KCGWETKNACSIHV-UHFFFAOYSA-N 0 1 290.283 0.859 20 5 CCBDMN C[C@@H]1COCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000610990684 363642449 /nfs/dbraw/zinc/64/24/49/363642449.db2.gz HTCSHEXRBRUWCC-SNVBAGLBSA-N 0 1 254.290 0.902 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000588849215 359341233 /nfs/dbraw/zinc/34/12/33/359341233.db2.gz KPJVOXFMLAJOOL-UHFFFAOYSA-N 0 1 292.251 0.885 20 5 CCBDMN O=C(Nc1n[nH]c2ncnn12)c1ccccc1[N+](=O)[O-] ZINC000590379766 359446935 /nfs/dbraw/zinc/44/69/35/359446935.db2.gz PLNCAEQKAKIJBB-UHFFFAOYSA-N 0 1 273.212 0.613 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@H]2C[C@@H]21 ZINC000590431794 359460366 /nfs/dbraw/zinc/46/03/66/359460366.db2.gz RASQNLVMNQFNRL-WDEREUQCSA-N 0 1 264.237 0.914 20 5 CCBDMN Cc1cc(C(=O)Nc2n[nH]c3ncnn23)cc([N+](=O)[O-])c1 ZINC000590553147 359483922 /nfs/dbraw/zinc/48/39/22/359483922.db2.gz WQFQUUHNQYPAQO-UHFFFAOYSA-N 0 1 287.239 0.921 20 5 CCBDMN NCc1nnnn1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000592172934 359777255 /nfs/dbraw/zinc/77/72/55/359777255.db2.gz LLXPEWOPPAZBOO-UHFFFAOYSA-N 0 1 278.272 0.509 20 5 CCBDMN CCCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCN(C)C1 ZINC000592828042 359947252 /nfs/dbraw/zinc/94/72/52/359947252.db2.gz AIQGQUZDEFDNDA-SECBINFHSA-N 0 1 281.316 0.874 20 5 CCBDMN CC[C@@H](C)C[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592873183 359966969 /nfs/dbraw/zinc/96/69/69/359966969.db2.gz MZDIAMUYJUTNSU-HTQZYQBOSA-N 0 1 270.289 0.845 20 5 CCBDMN O=[N+]([O-])c1cccc(CN2CC(N3CC[C@@H](O)C3)C2)c1 ZINC000593680166 360133589 /nfs/dbraw/zinc/13/35/89/360133589.db2.gz SFYJCXUCXBAJAE-CQSZACIVSA-N 0 1 277.324 0.846 20 5 CCBDMN [NH3+]CC1(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000593927228 360219182 /nfs/dbraw/zinc/21/91/82/360219182.db2.gz ZTCZRQGAAMNKMA-UHFFFAOYSA-N 0 1 280.284 0.554 20 5 CCBDMN COCCCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594748127 360375821 /nfs/dbraw/zinc/37/58/21/360375821.db2.gz IKXKBNGDSLBBKW-UHFFFAOYSA-N 0 1 289.313 0.695 20 5 CCBDMN CCOCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594755055 360377233 /nfs/dbraw/zinc/37/72/33/360377233.db2.gz GSFPZAVVSDXUND-UHFFFAOYSA-N 0 1 275.286 0.305 20 5 CCBDMN CC[C@@H](COC)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761885 360378169 /nfs/dbraw/zinc/37/81/69/360378169.db2.gz LLZBMIXDLHXOIR-QMMMGPOBSA-N 0 1 289.313 0.693 20 5 CCBDMN Cc1cc(C[C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000178195903 189097017 /nfs/dbraw/zinc/09/70/17/189097017.db2.gz BIAZPZNMBUQIPC-MRVPVSSYSA-N 0 1 292.299 0.570 20 5 CCBDMN Cc1c(C[NH3+])c(=NC(=O)c2ccc([N+](=O)[O-])[n-]2)[nH]n1C ZINC000595959069 360736181 /nfs/dbraw/zinc/73/61/81/360736181.db2.gz ADRTZWNWBYGMNI-UHFFFAOYSA-N 0 1 278.272 0.098 20 5 CCBDMN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccn1C ZINC000596069118 360787753 /nfs/dbraw/zinc/78/77/53/360787753.db2.gz KFWKRECPOPSMIU-KOLCDFICSA-N 0 1 294.315 0.237 20 5 CCBDMN C[C@@H](CN1CCN(C)CC1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596122123 360802423 /nfs/dbraw/zinc/80/24/23/360802423.db2.gz JKWUAOBBUIBLHK-JTQLQIEISA-N 0 1 295.343 0.743 20 5 CCBDMN O=C(NCCC1CSC1)c1n[nH]cc1[N+](=O)[O-] ZINC000597790508 361247201 /nfs/dbraw/zinc/24/72/01/361247201.db2.gz YEXAPTZWVGHSMN-UHFFFAOYSA-N 0 1 256.287 0.801 20 5 CCBDMN Cc1nn(C)c(C(=O)N(C)CC2CN(C)C2)c1[N+](=O)[O-] ZINC000598164837 361346660 /nfs/dbraw/zinc/34/66/60/361346660.db2.gz WVZLKCMYZYCKEF-UHFFFAOYSA-N 0 1 281.316 0.270 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598187419 361351784 /nfs/dbraw/zinc/35/17/84/361351784.db2.gz LSXAEBHMWXHSRK-IIDWOEFGSA-N 0 1 282.300 0.715 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC000598449057 361420888 /nfs/dbraw/zinc/42/08/88/361420888.db2.gz PXXXCHIBSDKKRY-ISVAXAHUSA-N 0 1 296.327 0.971 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000598786149 361516372 /nfs/dbraw/zinc/51/63/72/361516372.db2.gz RQRHFUPEXXPDKM-DTWKUNHWSA-N 0 1 296.327 0.971 20 5 CCBDMN Cc1ccnc(NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599175965 361600045 /nfs/dbraw/zinc/60/00/45/361600045.db2.gz LIANRSUZTXOWQQ-SNVBAGLBSA-N 0 1 266.301 0.777 20 5 CCBDMN CCOC[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599280707 361630423 /nfs/dbraw/zinc/63/04/23/361630423.db2.gz KEDMLODJRAFOAF-ZETCQYMHSA-N 0 1 292.317 0.032 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC2(C)C)n1 ZINC000599246052 361619780 /nfs/dbraw/zinc/61/97/80/361619780.db2.gz YYGQNWGLMKLRIQ-ZETCQYMHSA-N 0 1 288.329 0.653 20 5 CCBDMN C[C@@H](CN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000302159024 201373211 /nfs/dbraw/zinc/37/32/11/201373211.db2.gz OFPXUORPUDBSJZ-JTQLQIEISA-N 0 1 280.332 0.433 20 5 CCBDMN O=C(NC1(CO)CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000614014361 364460237 /nfs/dbraw/zinc/46/02/37/364460237.db2.gz YWRRWGKOUGUWEH-UHFFFAOYSA-N 0 1 266.253 0.945 20 5 CCBDMN C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000564947177 291323374 /nfs/dbraw/zinc/32/33/74/291323374.db2.gz XNPBIZUHXLOFOE-ZETCQYMHSA-N 0 1 266.257 0.129 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CCO[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000615925432 365132574 /nfs/dbraw/zinc/13/25/74/365132574.db2.gz SZEJNSKJMWYUEB-SECBINFHSA-N 0 1 298.299 0.715 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CCOC)c1[N+](=O)[O-] ZINC000330669263 203096491 /nfs/dbraw/zinc/09/64/91/203096491.db2.gz CSLVZUBEWXCXLG-UHFFFAOYSA-N 0 1 256.262 0.599 20 5 CCBDMN CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H]1CC[NH2+]C1 ZINC000567829528 291522051 /nfs/dbraw/zinc/52/20/51/291522051.db2.gz ZAFZHFDVNQHGSP-SSDOTTSWSA-N 0 1 266.257 0.129 20 5 CCBDMN CC(=O)NCCN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000518527619 249253449 /nfs/dbraw/zinc/25/34/49/249253449.db2.gz DOIIQTDQROUJDI-UHFFFAOYSA-N 0 1 267.285 0.868 20 5 CCBDMN CC(C)(CC[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000574680912 335039162 /nfs/dbraw/zinc/03/91/62/335039162.db2.gz FIZDMCDSNCWUAT-UHFFFAOYSA-N 0 1 288.329 0.396 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000279276451 194363050 /nfs/dbraw/zinc/36/30/50/194363050.db2.gz JXBQFMXTRMONNK-QMMMGPOBSA-N 0 1 282.300 0.723 20 5 CCBDMN CN1CCO[C@H]2CCN(c3ncc([N+](=O)[O-])s3)C[C@@H]21 ZINC000285124940 388787678 /nfs/dbraw/zinc/78/76/78/388787678.db2.gz RSOAAAUIDVPYIL-IUCAKERBSA-N 0 1 284.341 0.961 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])cn1)C1(C(N)=O)CCCC1 ZINC000120206076 389141896 /nfs/dbraw/zinc/14/18/96/389141896.db2.gz QKMZQVBMTUVBLE-UHFFFAOYSA-N 0 1 281.316 0.521 20 5 CCBDMN CN(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000264628767 389339689 /nfs/dbraw/zinc/33/96/89/389339689.db2.gz QPPPNNNRZIPIOJ-UHFFFAOYSA-N 0 1 299.352 0.967 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366524433 389304034 /nfs/dbraw/zinc/30/40/34/389304034.db2.gz CQGLWAWYKMGNSP-BFLSOPEQSA-N 0 1 270.285 0.058 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2C[C@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000351913620 389712999 /nfs/dbraw/zinc/71/29/99/389712999.db2.gz UVONGIOXVHFIDY-IONNQARKSA-N 0 1 282.300 0.723 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000282049504 389650900 /nfs/dbraw/zinc/65/09/00/389650900.db2.gz AOWZOCJWFMMVGZ-ZETCQYMHSA-N 0 1 295.299 0.183 20 5 CCBDMN C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCN1 ZINC000415392866 389680666 /nfs/dbraw/zinc/68/06/66/389680666.db2.gz YPZQSDACQHGANG-QMMMGPOBSA-N 0 1 265.273 0.237 20 5 CCBDMN C[C@@H]1COCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000432569197 389883969 /nfs/dbraw/zinc/88/39/69/389883969.db2.gz OPRREGMFPGDBIX-RNFRBKRXSA-N 0 1 254.246 0.473 20 5 CCBDMN C[S@@](=O)c1nncn1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000436475328 389977434 /nfs/dbraw/zinc/97/74/34/389977434.db2.gz OLNSGVUGMUOTHQ-LJQANCHMSA-N 0 1 282.281 0.678 20 5 CCBDMN O=C(NCC[NH+]1CCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436898620 389986454 /nfs/dbraw/zinc/98/64/54/389986454.db2.gz HJHZPBJMDNYUBL-UHFFFAOYSA-N 0 1 265.269 0.736 20 5 CCBDMN COCCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000490043482 390103608 /nfs/dbraw/zinc/10/36/08/390103608.db2.gz KTPOBOKTJOEHFX-NSHDSACASA-N 0 1 284.316 0.529 20 5 CCBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN1CCO ZINC000490045438 390103809 /nfs/dbraw/zinc/10/38/09/390103809.db2.gz AZNZGADAAGKFCP-SNVBAGLBSA-N 0 1 266.301 0.493 20 5 CCBDMN C[N@@H+](CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000490328646 390105359 /nfs/dbraw/zinc/10/53/59/390105359.db2.gz UCXXDHYYUDDYCN-UHFFFAOYSA-N 0 1 296.331 0.185 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@]2(C)CO)c1[N+](=O)[O-] ZINC000545406683 390327697 /nfs/dbraw/zinc/32/76/97/390327697.db2.gz PMSUGKREJMLJJL-NSHDSACASA-N 0 1 268.273 0.613 20 5 CCBDMN O=C1NC2(CO1)CCN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000496262708 390329760 /nfs/dbraw/zinc/32/97/60/390329760.db2.gz JUOYBYPFHWIPFC-UHFFFAOYSA-N 0 1 295.299 0.366 20 5 CCBDMN COC(=O)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])CC1CC1 ZINC000566073198 390574967 /nfs/dbraw/zinc/57/49/67/390574967.db2.gz HJEARZCZGHHINB-MRVPVSSYSA-N 0 1 296.283 0.637 20 5 CCBDMN COCCN[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000566627756 390635174 /nfs/dbraw/zinc/63/51/74/390635174.db2.gz SABOIAMBCFDMCZ-NSHDSACASA-N 0 1 293.279 0.463 20 5 CCBDMN C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000572640881 390794414 /nfs/dbraw/zinc/79/44/14/390794414.db2.gz JLIBEZWPAMKMCN-JGVFFNPUSA-N 0 1 280.284 0.505 20 5 CCBDMN COC(=O)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000191811939 130309243 /nfs/dbraw/zinc/30/92/43/130309243.db2.gz NJRIYMKWRHIGMX-JQWIXIFHSA-N 0 1 296.327 0.922 20 5 CCBDMN O=C(NCc1cnn2ccccc12)c1n[nH]cc1[N+](=O)[O-] ZINC000342219609 130392639 /nfs/dbraw/zinc/39/26/39/130392639.db2.gz YWFLJDAGWDIABC-UHFFFAOYSA-N 0 1 286.251 0.896 20 5 CCBDMN CCN(CC(=O)OC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264209461 131413622 /nfs/dbraw/zinc/41/36/22/131413622.db2.gz RMEYFFXRIYXKBF-UHFFFAOYSA-N 0 1 270.245 0.261 20 5 CCBDMN Cc1cc(CC(=O)NCCn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC000269217167 132134480 /nfs/dbraw/zinc/13/44/80/132134480.db2.gz TZKMFVOSZYTJGR-UHFFFAOYSA-N 0 1 278.272 0.182 20 5 CCBDMN O=C(NC[C@@H]1CC[C@@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000356629742 144021144 /nfs/dbraw/zinc/02/11/44/144021144.db2.gz VVGYMNASKBDBMU-RNFRBKRXSA-N 0 1 254.246 0.209 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(Cn2cncn2)CC1 ZINC000368746089 144242959 /nfs/dbraw/zinc/24/29/59/144242959.db2.gz LSYAWOSXYHIWHR-GHMZBOCLSA-N 0 1 279.300 0.182 20 5 CCBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2CCC1CC2 ZINC000368965898 144251112 /nfs/dbraw/zinc/25/11/12/144251112.db2.gz WMMWIGTUVCHLCP-UHFFFAOYSA-N 0 1 291.311 0.492 20 5 CCBDMN Cn1cc(C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000369958098 144285001 /nfs/dbraw/zinc/28/50/01/144285001.db2.gz FGNOOXFJJKDXRF-MVWJERBFSA-N 0 1 278.312 0.476 20 5 CCBDMN C[C@@H]1CN(CC(C)(C)O)CCN1c1c([N+](=O)[O-])ncn1C ZINC000548692385 286058464 /nfs/dbraw/zinc/05/84/64/286058464.db2.gz DLWDOFWBBXSBTR-SNVBAGLBSA-N 0 1 297.359 0.610 20 5 CCBDMN C[C@H](NCCNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000020203772 171068631 /nfs/dbraw/zinc/06/86/31/171068631.db2.gz VHDQRQPLYPTRPV-VIFPVBQESA-N 0 1 287.341 0.795 20 5 CCBDMN CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCCN(C)C1 ZINC000285464593 196292315 /nfs/dbraw/zinc/29/23/15/196292315.db2.gz AUHMYRLMXSYYNJ-QMMMGPOBSA-N 0 1 267.289 0.484 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)CO)c1[N+](=O)[O-] ZINC000285593793 196336310 /nfs/dbraw/zinc/33/63/10/196336310.db2.gz BBIVDHIMKXCDAN-ZCFIWIBFSA-N 0 1 256.262 0.333 20 5 CCBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CNCCO1 ZINC000043709239 175102548 /nfs/dbraw/zinc/10/25/48/175102548.db2.gz QRVKCTVPWOWNAB-NSHDSACASA-N 0 1 265.269 0.199 20 5 CCBDMN CCc1nc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000479190205 420307045 /nfs/dbraw/zinc/30/70/45/420307045.db2.gz JCEDDDWVHIJCDK-UHFFFAOYSA-N 0 1 265.233 0.261 20 5 CCBDMN Cc1c(CN2C[C@@H](O)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000317447216 260228525 /nfs/dbraw/zinc/22/85/25/260228525.db2.gz NEKFWIFRJSSEIS-WCQYABFASA-N 0 1 266.297 0.688 20 5 CCBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000408219063 274339289 /nfs/dbraw/zinc/33/92/89/274339289.db2.gz LEJKJVBJFPRNOR-DTWKUNHWSA-N 0 1 251.290 0.914 20 5 CCBDMN CC[C@H](CO)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273670551 276570750 /nfs/dbraw/zinc/57/07/50/276570750.db2.gz XPGRAYSWKNTJAT-SNVBAGLBSA-N 0 1 281.316 0.278 20 5 CCBDMN CN1C(=O)CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000090024718 277007096 /nfs/dbraw/zinc/00/70/96/277007096.db2.gz DJMLDUIOCOETKR-LLVKDONJSA-N 0 1 277.280 0.832 20 5 CCBDMN CN1CCO[C@H]2CN(c3ccncc3[N+](=O)[O-])C[C@H]21 ZINC000357618797 277131814 /nfs/dbraw/zinc/13/18/14/277131814.db2.gz OZNDCQOOYIYTAT-NEPJUHHUSA-N 0 1 264.285 0.509 20 5 CCBDMN C[C@@H]1CCN(C)CCN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000584180826 327060752 /nfs/dbraw/zinc/06/07/52/327060752.db2.gz FSJNWAJXMLYCEU-SECBINFHSA-N 0 1 293.327 0.569 20 5 CCBDMN C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000575867472 335126096 /nfs/dbraw/zinc/12/60/96/335126096.db2.gz SZGODDISFPWCGA-RITPCOANSA-N 0 1 254.246 0.161 20 5 CCBDMN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000576189403 335166973 /nfs/dbraw/zinc/16/69/73/335166973.db2.gz DMBNREKGYKDJMI-SMDDNHRTSA-N 0 1 296.323 0.649 20 5 CCBDMN Cn1cncc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577801126 335401740 /nfs/dbraw/zinc/40/17/40/335401740.db2.gz UQEPBSBCHOJIMX-UHFFFAOYSA-N 0 1 297.296 0.202 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1N(C)CC(=O)N1CCNCC1 ZINC000052813007 525574319 /nfs/dbraw/zinc/57/43/19/525574319.db2.gz DWOQHVFLJASEIG-UHFFFAOYSA-N 0 1 293.327 0.166 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1NCCCN1CCC[C@H]1C(N)=O ZINC000341105199 527490274 /nfs/dbraw/zinc/49/02/74/527490274.db2.gz UFRQKKQOTSNOAF-VIFPVBQESA-N 0 1 296.331 0.080 20 5 CCBDMN Cn1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000368768240 527531820 /nfs/dbraw/zinc/53/18/20/527531820.db2.gz QXKGYPGSAKWRSH-OPRDCNLKSA-N 0 1 279.300 0.186 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCN(C(C)=O)CC2)c1[N+](=O)[O-] ZINC000263780280 535998551 /nfs/dbraw/zinc/99/85/51/535998551.db2.gz YHHSDYZVQWCHLA-UHFFFAOYSA-N 0 1 295.299 0.185 20 5 CCBDMN CCCCNC(=O)C1CCN(CC[N+](=O)[O-])CC1 ZINC000791054056 581206265 /nfs/dbraw/zinc/20/62/65/581206265.db2.gz WSLLDGRXFJUXPN-UHFFFAOYSA-N 0 1 257.334 0.891 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nnnn1C1CC1 ZINC000791932352 581241063 /nfs/dbraw/zinc/24/10/63/581241063.db2.gz HELZSQWALVLNIL-RXMQYKEDSA-N 0 1 292.259 0.130 20 5 CCBDMN O=C1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCCN1 ZINC000769105404 581541519 /nfs/dbraw/zinc/54/15/19/581541519.db2.gz CIBNOIHYIPHMLD-UHFFFAOYSA-N 0 1 265.269 0.622 20 5 CCBDMN O=C([O-])NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740659003 581708451 /nfs/dbraw/zinc/70/84/51/581708451.db2.gz PLHNPYVISVAIRH-UHFFFAOYSA-N 0 1 294.311 0.984 20 5 CCBDMN O=C(OC[C@@H]1CCNC1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000774718014 581992499 /nfs/dbraw/zinc/99/24/99/581992499.db2.gz GHTSDIBJOAUVEH-LURJTMIESA-N 0 1 253.214 0.216 20 5 CCBDMN O=C([O-])[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000833189195 601376891 /nfs/dbraw/zinc/37/68/91/601376891.db2.gz XXOBVHXJEGTFNX-SECBINFHSA-N 0 1 268.273 0.588 20 5 CCBDMN O=C([O-])[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000821511051 597467054 /nfs/dbraw/zinc/46/70/54/597467054.db2.gz BLXMJHWLKURDBZ-SECBINFHSA-N 0 1 281.268 0.163 20 5 CCBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000228611793 600137831 /nfs/dbraw/zinc/13/78/31/600137831.db2.gz ZXMLNDLQIBVDSX-NEPJUHHUSA-N 0 1 280.280 0.657 20 5 CCBDMN O=C([O-])NC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000832527420 603707337 /nfs/dbraw/zinc/70/73/37/603707337.db2.gz JMIKVOQAPRRRRL-JTQLQIEISA-N 0 1 297.315 0.913 20 5 CCBDMN C[C@@H]1C[NH+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)N1C(=O)[O-] ZINC000826056123 603709849 /nfs/dbraw/zinc/70/98/49/603709849.db2.gz BJBPVRXIGNNPKJ-NXEZZACHSA-N 0 1 297.315 0.864 20 5 CCBDMN O=C([O-])C[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000833212125 604983619 /nfs/dbraw/zinc/98/36/19/604983619.db2.gz TTXOSJLQOWIJBS-QMMMGPOBSA-N 0 1 254.246 0.688 20 5 CCBDMN O=C([O-])C[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000833212125 604983621 /nfs/dbraw/zinc/98/36/21/604983621.db2.gz TTXOSJLQOWIJBS-QMMMGPOBSA-N 0 1 254.246 0.688 20 5 CCBDMN CC(C)(CCC(=O)NCCN1CCCOCC1)[N+](=O)[O-] ZINC000829824645 614081396 /nfs/dbraw/zinc/08/13/96/614081396.db2.gz VXIWXMWALOTRNM-UHFFFAOYSA-N 0 1 287.360 0.660 20 5 CCBDMN COc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000840671415 617260950 /nfs/dbraw/zinc/26/09/50/617260950.db2.gz UPMLXXQDWMDUPE-RKDXNWHRSA-N 0 1 252.226 0.799 20 5 CCBDMN COc1ccc2c(c1)OC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000840407170 617286309 /nfs/dbraw/zinc/28/63/09/617286309.db2.gz JXNVWBAYGBQQAS-MVWJERBFSA-N 0 1 292.291 0.780 20 5 CCBDMN CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000944934466 613790279 /nfs/dbraw/zinc/79/02/79/613790279.db2.gz RJOPKVMIHGAZFP-GHMZBOCLSA-N 0 1 281.312 0.123 20 5 CCBDMN CC(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC000961034042 613899980 /nfs/dbraw/zinc/89/99/80/613899980.db2.gz HMTNOWXXAYXUAC-WRWGMCAJSA-N 0 1 295.339 0.224 20 5 CCBDMN CC(C)(C)n1nnnc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673596 614075280 /nfs/dbraw/zinc/07/52/80/614075280.db2.gz UQNMBXYZYPGPAZ-RNFRBKRXSA-N 0 1 269.261 0.137 20 5 CCBDMN CC(=O)c1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC000848766296 614249380 /nfs/dbraw/zinc/24/93/80/614249380.db2.gz PEXQPSJCZSUSHJ-VXNVDRBHSA-N 0 1 254.198 0.586 20 5 CCBDMN CCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000944933789 614505498 /nfs/dbraw/zinc/50/54/98/614505498.db2.gz KMCHPHBQYWOFEJ-GHMZBOCLSA-N 0 1 295.339 0.513 20 5 CCBDMN CCN(C(=O)C1CCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000967716561 614582661 /nfs/dbraw/zinc/58/26/61/614582661.db2.gz POIFRMPHHYPEOG-VXGBXAGGSA-N 0 1 295.339 0.511 20 5 CCBDMN CC1(C)C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839793683 614741306 /nfs/dbraw/zinc/74/13/06/614741306.db2.gz XBNVGXPOOUKCNK-IVZWLZJFSA-N 0 1 256.302 0.973 20 5 CCBDMN CC1(C)[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000839690180 614863513 /nfs/dbraw/zinc/86/35/13/614863513.db2.gz HXYXXSMUKJOWEC-ISUQUUIWSA-N 0 1 268.313 0.971 20 5 CCBDMN CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825476733 615109095 /nfs/dbraw/zinc/10/90/95/615109095.db2.gz UMLITUVVVRYJAC-UHFFFAOYSA-N 0 1 298.284 0.073 20 5 CCBDMN CCN1C[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000842309141 615411592 /nfs/dbraw/zinc/41/15/92/615411592.db2.gz MYOGDBDDWUUDNZ-IWSPIJDZSA-N 0 1 256.258 0.063 20 5 CCBDMN CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672461 615461435 /nfs/dbraw/zinc/46/14/35/615461435.db2.gz JUDNNQICSPSSSE-FNCVBFRFSA-N 0 1 258.274 0.498 20 5 CCBDMN CC[C@@H](COCC1CC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855283925 615494434 /nfs/dbraw/zinc/49/44/34/615494434.db2.gz IVWBTSXFFYDJKT-HBNTYKKESA-N 0 1 256.302 0.973 20 5 CCBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000839762724 615560154 /nfs/dbraw/zinc/56/01/54/615560154.db2.gz UVZHOWVLWDKMHK-QHRBSURFSA-N 0 1 274.342 0.410 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000840392705 615867271 /nfs/dbraw/zinc/86/72/71/615867271.db2.gz NOQKQQDFYVCQDS-JPPWEJMLSA-N 0 1 256.302 0.661 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCC3)C2)n1 ZINC000912910986 616014835 /nfs/dbraw/zinc/01/48/35/616014835.db2.gz WTXIAVMZYZGXFS-SNVBAGLBSA-N 0 1 293.327 0.731 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c1[N+](=O)[O-] ZINC000863762638 616030871 /nfs/dbraw/zinc/03/08/71/616030871.db2.gz YSCXPCHNGDAGAI-RNFRBKRXSA-N 0 1 294.267 0.125 20 5 CCBDMN C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)CC[N+](=O)[O-] ZINC000930762544 616074331 /nfs/dbraw/zinc/07/43/31/616074331.db2.gz HJZBZDFNRPVNDZ-UHFFFAOYSA-N 0 1 291.307 0.881 20 5 CCBDMN CN(CCCN1C(=O)c2ccccc2C1=O)CC[N+](=O)[O-] ZINC000930762544 616074332 /nfs/dbraw/zinc/07/43/32/616074332.db2.gz HJZBZDFNRPVNDZ-UHFFFAOYSA-N 0 1 291.307 0.881 20 5 CCBDMN COC(=O)C12CCC(CC1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000870735770 616403263 /nfs/dbraw/zinc/40/32/63/616403263.db2.gz GPVRTQDKJLKUJK-HLXSOGAOSA-N 0 1 268.269 0.348 20 5 CCBDMN CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000855350557 616626116 /nfs/dbraw/zinc/62/61/16/616626116.db2.gz UTWWGISDGWVBAI-LZQZFOIKSA-N 0 1 286.328 0.334 20 5 CCBDMN COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])[C@@H]2C1 ZINC000888473483 616719282 /nfs/dbraw/zinc/71/92/82/616719282.db2.gz UOFLIYAPYYGPEC-FKSVDQQFSA-N 0 1 282.296 0.356 20 5 CCBDMN COC[C@H](NCc1cn(C)nc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886918107 616723893 /nfs/dbraw/zinc/72/38/93/616723893.db2.gz RPHIQVOSGJXREH-JQWIXIFHSA-N 0 1 298.343 0.860 20 5 CCBDMN COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000839790458 616773220 /nfs/dbraw/zinc/77/32/20/616773220.db2.gz YYNNAXJWYCUCBB-NXEZZACHSA-N 0 1 256.302 0.975 20 5 CCBDMN COC[C@H]1C[C@@H](O)CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844404537 616813742 /nfs/dbraw/zinc/81/37/42/616813742.db2.gz PLFVCFMMFXODDP-MCIONIFRSA-N 0 1 296.323 0.710 20 5 CCBDMN COC(=O)c1conc1C(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000822452087 617019485 /nfs/dbraw/zinc/01/94/85/617019485.db2.gz WHUPAYXVOWOCGV-HTRCEHHLSA-N 0 1 297.267 0.478 20 5 CCBDMN CON(C)C(=O)[C@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863586844 617069153 /nfs/dbraw/zinc/06/91/53/617069153.db2.gz FUKOQIBTTHXQCD-CABZTGNLSA-N 0 1 297.311 0.626 20 5 CCBDMN CO[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCOC1 ZINC000849806157 617090925 /nfs/dbraw/zinc/09/09/25/617090925.db2.gz DWEWLQUGVUPIOM-SGIHWFKDSA-N 0 1 259.258 0.246 20 5 CCBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1=CCCC1 ZINC000973159847 623663304 /nfs/dbraw/zinc/66/33/04/623663304.db2.gz JAEFHKSULDOAMX-DDHJBXDOSA-N 0 1 293.323 0.525 20 5 CCBDMN COc1cc(OC)cc(OCCNCC[N+](=O)[O-])c1 ZINC000905167323 634816392 /nfs/dbraw/zinc/81/63/92/634816392.db2.gz TXKZFQAMQYRPJH-UHFFFAOYSA-N 0 1 270.285 0.949 20 5 CCBDMN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC000978795331 630846652 /nfs/dbraw/zinc/84/66/52/630846652.db2.gz LKIYCGPEMAXMTE-APHKKCJPSA-N 0 1 281.312 0.073 20 5 CCBDMN Cn1cc(CN2CC[C@H](C3OCCO3)C2)c([N+](=O)[O-])n1 ZINC000931998665 631388083 /nfs/dbraw/zinc/38/80/83/631388083.db2.gz JERUBTIMBKHNBB-VIFPVBQESA-N 0 1 282.300 0.523 20 5 CCBDMN O=C(OC[C@H]1CC2(CCC2)C(=O)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673598 631716241 /nfs/dbraw/zinc/71/62/41/631716241.db2.gz UQUQDEODRGJDQV-IWSPIJDZSA-N 0 1 269.253 0.681 20 5 CCBDMN C[C@H](Nc1c([N+](=O)[O-])cnn1C)[C@H]1CN(C)CCN1C ZINC000895247876 632037512 /nfs/dbraw/zinc/03/75/12/632037512.db2.gz JNVSVHCHBSDHDB-GXSJLCMTSA-N 0 1 282.348 0.375 20 5 CCBDMN C[C@@H](Nc1c([N+](=O)[O-])cnn1C)[C@@H]1CN(C)CCN1C ZINC000895247877 632038142 /nfs/dbraw/zinc/03/81/42/632038142.db2.gz JNVSVHCHBSDHDB-KOLCDFICSA-N 0 1 282.348 0.375 20 5 CCBDMN CC(=O)N(C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000988534978 633052713 /nfs/dbraw/zinc/05/27/13/633052713.db2.gz VKRQKKDQVUNYIE-VXGBXAGGSA-N 0 1 283.328 0.369 20 5 CCBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1c1ncccc1[N+](=O)[O-] ZINC000910458465 635773779 /nfs/dbraw/zinc/77/37/79/635773779.db2.gz UEXXYVAXYDNPMA-SNVBAGLBSA-N 0 1 294.311 0.975 20 5 CCBDMN O=C(CCC1CCC1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991280383 635834350 /nfs/dbraw/zinc/83/43/50/635834350.db2.gz QKZREXOYBAKAMT-VXGBXAGGSA-N 0 1 295.339 0.559 20 5 CCBDMN CC1(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC=CC1 ZINC000991294146 635863835 /nfs/dbraw/zinc/86/38/35/635863835.db2.gz SKSCRJRCPJKLEC-GHMZBOCLSA-N 0 1 293.323 0.335 20 5 CCBDMN CC1(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001011114834 650285759 /nfs/dbraw/zinc/28/57/59/650285759.db2.gz YOPXQHQLEJVVOD-NXEZZACHSA-N 0 1 281.312 0.123 20 5 CCBDMN O=C(/C=C/C1CC1)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001795099 639339127 /nfs/dbraw/zinc/33/91/27/639339127.db2.gz ARERKPSIKSNNCR-BLDJZWNYSA-N 0 1 293.323 0.192 20 5 CCBDMN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839560631 640343688 /nfs/dbraw/zinc/34/36/88/640343688.db2.gz NTRKJSJNQYCNTG-IWSPIJDZSA-N 0 1 295.261 0.652 20 5 CCBDMN Cc1cccc(OC[C@@H](O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839574336 640344108 /nfs/dbraw/zinc/34/41/08/640344108.db2.gz LMQWVJQJOVAYDB-CYZMBNFOSA-N 0 1 294.307 0.516 20 5 CCBDMN O=C(Nc1cnn(-c2ccccn2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839689306 640349329 /nfs/dbraw/zinc/34/93/29/640349329.db2.gz ZTOIISKFAGYRQB-NXEZZACHSA-N 0 1 273.252 0.871 20 5 CCBDMN C[C@](O)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccs1 ZINC000839687771 640349496 /nfs/dbraw/zinc/34/94/96/640349496.db2.gz GSRAMOJLYUNKNS-XLDPMVHQSA-N 0 1 270.310 0.737 20 5 CCBDMN Cc1ccc(NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC000839685120 640350538 /nfs/dbraw/zinc/35/05/38/640350538.db2.gz BCJGWAPYWOMJMB-GHMZBOCLSA-N 0 1 278.312 0.973 20 5 CCBDMN O=C(NCC1(CCO)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839703054 640351743 /nfs/dbraw/zinc/35/17/43/640351743.db2.gz FBTOQUOPPBXWER-NXEZZACHSA-N 0 1 256.302 0.711 20 5 CCBDMN C[S@](=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839694144 640352177 /nfs/dbraw/zinc/35/21/77/640352177.db2.gz TZNOWPXPPSZQFY-DLUMRTOESA-N 0 1 296.348 0.888 20 5 CCBDMN O=C(NCC1(CO)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839703465 640355315 /nfs/dbraw/zinc/35/53/15/640355315.db2.gz FBGJHYCWNHULOZ-NXEZZACHSA-N 0 1 256.302 0.711 20 5 CCBDMN O=C(N[C@@H]1CCCC[C@H]1N1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839706970 640355910 /nfs/dbraw/zinc/35/59/10/640355910.db2.gz XZYLLCOHESPATQ-FDYHWXHSSA-N 0 1 297.355 0.411 20 5 CCBDMN O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839707471 640356018 /nfs/dbraw/zinc/35/60/18/640356018.db2.gz VEPBWIRIGAJTGA-YUSALJHKSA-N 0 1 295.339 0.701 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]([C@H]2CCOC2)C1 ZINC000839710690 640356905 /nfs/dbraw/zinc/35/69/05/640356905.db2.gz OLGPODXBKBZCIN-UKKRHICBSA-N 0 1 254.286 0.537 20 5 CCBDMN O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839707469 640356971 /nfs/dbraw/zinc/35/69/71/640356971.db2.gz VEPBWIRIGAJTGA-MVWJERBFSA-N 0 1 295.339 0.701 20 5 CCBDMN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839763007 640359350 /nfs/dbraw/zinc/35/93/50/640359350.db2.gz IWJYDQRJFCMONY-LXGUWJNJSA-N 0 1 282.218 0.830 20 5 CCBDMN C[C@@H]1OCC[C@]12CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C[C@@H](C)O2 ZINC000839750125 640361279 /nfs/dbraw/zinc/36/12/79/640361279.db2.gz ZDKNTTGZNKMMSF-TUTUZKQUSA-N 0 1 284.312 0.447 20 5 CCBDMN O=C(NCCCC1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839779689 640364329 /nfs/dbraw/zinc/36/43/29/640364329.db2.gz KWUOWSLUKIECCW-GHMZBOCLSA-N 0 1 256.302 0.975 20 5 CCBDMN Cn1ccnc1[C@@H]1N(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1(C)C ZINC000839781462 640364447 /nfs/dbraw/zinc/36/44/47/640364447.db2.gz PWPAANYVWQSNPB-BBBLOLIVSA-N 0 1 278.312 0.995 20 5 CCBDMN O=C(OCc1ccc[n+]([O-])c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000802185119 640689460 /nfs/dbraw/zinc/68/94/60/640689460.db2.gz DLDBYIUOSROVHK-UHFFFAOYSA-N 0 1 263.209 0.913 20 5 CCBDMN O=C(Oc1ccc(-n2cnnn2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840244799 640993209 /nfs/dbraw/zinc/99/32/09/640993209.db2.gz DYLOEVVIRVGZTQ-NXEZZACHSA-N 0 1 275.224 0.233 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000820688182 641526234 /nfs/dbraw/zinc/52/62/34/641526234.db2.gz MFYDGNAGCLKQEI-AOOOYVTPSA-N 0 1 295.343 0.651 20 5 CCBDMN O=C(NCCC[C@@H]1CCOC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000834472008 642569546 /nfs/dbraw/zinc/56/95/46/642569546.db2.gz LWOUBUPBAALYNQ-IWSPIJDZSA-N 0 1 256.258 0.111 20 5 CCBDMN O=C(CN1CCOCC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837619671 642756625 /nfs/dbraw/zinc/75/66/25/642756625.db2.gz CRSNVZFFYFCKLW-UHFFFAOYSA-N 0 1 296.279 0.676 20 5 CCBDMN O=C(OCCCc1ccncn1)[C@@H]1CC1[N+](=O)[O-] ZINC000842378490 642894446 /nfs/dbraw/zinc/89/44/46/642894446.db2.gz CHPBSMUCZWURIU-NXEZZACHSA-N 0 1 251.242 0.618 20 5 CCBDMN O=C(NCc1ccc(CO)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000843969513 643131967 /nfs/dbraw/zinc/13/19/67/643131967.db2.gz OEGCIJFEZGYFAF-GHMZBOCLSA-N 0 1 250.254 0.460 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844454120 643218227 /nfs/dbraw/zinc/21/82/27/643218227.db2.gz XPMHWICVRORDFE-OCAPTIKFSA-N 0 1 258.228 0.988 20 5 CCBDMN O=C(OCc1ccn(C(F)F)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000847809247 643558886 /nfs/dbraw/zinc/55/88/86/643558886.db2.gz QLDYNOLFNWYNRC-RNFRBKRXSA-N 0 1 261.184 0.987 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ncon1 ZINC000848113441 643597450 /nfs/dbraw/zinc/59/74/50/643597450.db2.gz JODIGHUYLSQBSF-BWZBUEFSSA-N 0 1 252.230 0.398 20 5 CCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc(Cl)nc1 ZINC000849807258 643758899 /nfs/dbraw/zinc/75/88/99/643758899.db2.gz NYVGBMNJOAIRKM-HTQZYQBOSA-N 0 1 299.670 0.882 20 5 CCBDMN O=C(OC[C@@H]1CCC(=O)NC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000853141130 644079343 /nfs/dbraw/zinc/07/93/43/644079343.db2.gz UJKTZWRIBFFFPY-SSDOTTSWSA-N 0 1 267.241 0.606 20 5 CCBDMN C[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ncnn21 ZINC000855324384 644303706 /nfs/dbraw/zinc/30/37/06/644303706.db2.gz ZWGMFOUJWDYMEY-OOJXKGFFSA-N 0 1 251.246 0.065 20 5 CCBDMN C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1CCO ZINC000855541760 644332829 /nfs/dbraw/zinc/33/28/29/644332829.db2.gz SITYQFUFKSZWFO-GWOFURMSSA-N 0 1 256.302 0.661 20 5 CCBDMN O=C(N[C@@H]1C[C@@H](O)c2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000855733059 644358937 /nfs/dbraw/zinc/35/89/37/644358937.db2.gz VBQMEPZBBUGBHU-DDHJBXDOSA-N 0 1 262.265 0.946 20 5 CCBDMN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CCN1C ZINC000878316559 646891562 /nfs/dbraw/zinc/89/15/62/646891562.db2.gz IVJLRDRBEPNMKZ-SECBINFHSA-N 0 1 253.306 0.464 20 5 CCBDMN C[C@H]1[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CCN1C ZINC000928431692 648630806 /nfs/dbraw/zinc/63/08/06/648630806.db2.gz AOTAMOHXWKTQLU-JGVFFNPUSA-N 0 1 267.289 0.151 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000301641264 719371840 /nfs/dbraw/zinc/37/18/40/719371840.db2.gz GOKUWDPDTWNGFT-NWDGAFQWSA-N 0 1 278.312 0.817 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CCOC2=O)n1 ZINC001231260128 805764176 /nfs/dbraw/zinc/76/41/76/805764176.db2.gz RXOOIOGAQMCDJI-SSDOTTSWSA-N 0 1 254.198 0.698 20 5 CCBDMN NC(=O)N1CCc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc21 ZINC001137558852 799673914 /nfs/dbraw/zinc/67/39/14/799673914.db2.gz PYLLDSJOIRZSDW-MWLCHTKSSA-N 0 1 290.279 0.732 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2n[nH]c(C)n2)n1 ZINC001140155824 799884069 /nfs/dbraw/zinc/88/40/69/799884069.db2.gz HIDOPMXJHWVVSL-LURJTMIESA-N 0 1 293.287 0.729 20 5 CCBDMN O=C(NC1CC(=O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001141335146 800000280 /nfs/dbraw/zinc/00/02/80/800000280.db2.gz RPYKDIDNIJZRPO-UHFFFAOYSA-N 0 1 250.210 0.762 20 5 CCBDMN COc1cc(NC[C@H]2COCCN2)ncc1[N+](=O)[O-] ZINC001159042712 801746735 /nfs/dbraw/zinc/74/67/35/801746735.db2.gz JBRWYWBCAOUSTO-QMMMGPOBSA-N 0 1 268.273 0.399 20 5 CCBDMN O=C(Nc1ccc(C2(O)COC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160756441 802016121 /nfs/dbraw/zinc/01/61/21/802016121.db2.gz HNHABWNSSOLFQN-GHMZBOCLSA-N 0 1 278.264 0.508 20 5 CCBDMN O=[N+]([O-])c1ccc(NCc2nnc3n2CCCNC3)nc1 ZINC001163010679 802455079 /nfs/dbraw/zinc/45/50/79/802455079.db2.gz AIYCCYDROQWFQU-UHFFFAOYSA-N 0 1 289.299 0.687 20 5 CCBDMN CCOC(=O)c1cn(-c2cc([N+](=O)[O-])ccn2)nc1CN ZINC001163520313 802566399 /nfs/dbraw/zinc/56/63/99/802566399.db2.gz CJHGIPYSSFFZPA-UHFFFAOYSA-N 0 1 291.267 0.811 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3c2)S1 ZINC001163667314 802588461 /nfs/dbraw/zinc/58/84/61/802588461.db2.gz REHCNBWEPPXINU-VIFPVBQESA-N 0 1 293.264 0.964 20 5 CCBDMN O=C1C[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])CO1 ZINC001228603368 805458870 /nfs/dbraw/zinc/45/88/70/805458870.db2.gz JCBLBBHBMMXJGF-LURJTMIESA-N 0 1 281.224 0.662 20 5 CCBDMN C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C(=O)[O-] ZINC001261481662 808992727 /nfs/dbraw/zinc/99/27/27/808992727.db2.gz JNGNLSLRLRJWDV-VHSXEESVSA-N 0 1 282.300 0.834 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(-n2c(C)ncc(CN)c2=N)n1 ZINC001167674741 811199345 /nfs/dbraw/zinc/19/93/45/811199345.db2.gz VOLZNKWVWJSALA-UHFFFAOYSA-N 0 1 274.284 0.731 20 5 CCBDMN CCN(CCNCc1cscn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268450612 812579555 /nfs/dbraw/zinc/57/95/55/812579555.db2.gz YYEYGNAYJPLQSJ-GHMZBOCLSA-N 0 1 298.368 0.746 20 5 CCBDMN O=c1ccnc(O[C@@H](C[N+](=O)[O-])c2cccnc2)[nH]1 ZINC001226324864 813957332 /nfs/dbraw/zinc/95/73/32/813957332.db2.gz VXVFIQQTNFWBIX-VIFPVBQESA-N 0 1 262.225 0.974 20 5 CCBDMN Cc1cccnc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292826 815961968 /nfs/dbraw/zinc/96/19/68/815961968.db2.gz XLACKOCHRMUIDO-DGCLKSJQSA-N 0 1 290.323 0.356 20 5 CCBDMN C/C=C(/C)C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062775881 820107028 /nfs/dbraw/zinc/10/70/28/820107028.db2.gz XKZNLYQYYQCZTE-GIGCTMKZSA-N 0 1 295.339 0.773 20 5 CCBDMN CC1(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)CC1 ZINC001063308401 820141843 /nfs/dbraw/zinc/14/18/43/820141843.db2.gz NBZNGHOSWFZPLN-NXEZZACHSA-N 0 1 295.339 0.607 20 5 CCBDMN CNc1cc([N+](=O)[O-])cnc1-n1c(C)cnc1CN ZINC001169027712 836105973 /nfs/dbraw/zinc/10/59/73/836105973.db2.gz HBDRZZLZLLMXRU-UHFFFAOYSA-N 0 1 262.273 0.984 20 5 CCBDMN O=[N+]([O-])c1cccc2cnc(NC[C@@H]3COCCN3)nc21 ZINC001170042682 836777143 /nfs/dbraw/zinc/77/71/43/836777143.db2.gz SENXNSPCTPZPIP-SNVBAGLBSA-N 0 1 289.295 0.938 20 5 CCBDMN Cc1cc([N+](=O)[O-])c(-n2nnnc2CN)nc1Cl ZINC001158075412 837919855 /nfs/dbraw/zinc/91/98/55/837919855.db2.gz YOBTWRYTBPFYNN-UHFFFAOYSA-N 0 1 269.652 0.386 20 5 CCBDMN NCc1nnnn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001158077906 837922029 /nfs/dbraw/zinc/92/20/29/837922029.db2.gz YGDAZOUAKUGDIH-UHFFFAOYSA-N 0 1 298.266 0.486 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCN3C[C@@H](F)C[C@H]3C2)n1 ZINC001176777065 842404729 /nfs/dbraw/zinc/40/47/29/842404729.db2.gz GYTBUGGWYIQCLH-QWRGUYRKSA-N 0 1 283.307 0.519 20 5 CCBDMN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C1=NN(C)CC1=O ZINC001179926750 843081144 /nfs/dbraw/zinc/08/11/44/843081144.db2.gz LRMXIAZAEGOMFU-ZCFIWIBFSA-N 0 1 294.271 0.258 20 5 CCBDMN O=[N+]([O-])c1cc(Cl)cnc1NCc1n[nH]c(CO)n1 ZINC001187152887 844658635 /nfs/dbraw/zinc/65/86/35/844658635.db2.gz WMCUEQUHQLRYOY-UHFFFAOYSA-N 0 1 284.663 0.866 20 5 CCBDMN O=[N+]([O-])c1cc(Cl)cnc1NCc1nnc(CO)[nH]1 ZINC001187152887 844658639 /nfs/dbraw/zinc/65/86/39/844658639.db2.gz WMCUEQUHQLRYOY-UHFFFAOYSA-N 0 1 284.663 0.866 20 5 CCBDMN O=C(N[C@@H](CCO)C1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001116600663 855795831 /nfs/dbraw/zinc/79/58/31/855795831.db2.gz ZSWFXIPKMOVEFJ-VIFPVBQESA-N 0 1 298.299 0.225 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](O)C2(CC2)C1 ZINC001119308449 856626085 /nfs/dbraw/zinc/62/60/85/856626085.db2.gz NRDVDUXHXJTXCZ-JTQLQIEISA-N 0 1 266.301 0.556 20 5 CCBDMN CCc1cc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])n[nH]1 ZINC001325253020 913299679 /nfs/dbraw/zinc/29/96/79/913299679.db2.gz APYONJBQJXALNK-UHFFFAOYSA-N 0 1 264.245 0.533 20 5 CCBDMN COCc1nc(CNc2ncc([N+](=O)[O-])c(C)n2)n[nH]1 ZINC001350503008 891840793 /nfs/dbraw/zinc/84/07/93/891840793.db2.gz WBGNSTVJXGXMPL-UHFFFAOYSA-N 0 1 279.260 0.570 20 5 CCBDMN COCc1nnc(CNc2ncc([N+](=O)[O-])c(C)n2)[nH]1 ZINC001350503008 891840805 /nfs/dbraw/zinc/84/08/05/891840805.db2.gz WBGNSTVJXGXMPL-UHFFFAOYSA-N 0 1 279.260 0.570 20 5 CCBDMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001327366710 914502025 /nfs/dbraw/zinc/50/20/25/914502025.db2.gz CSJWYMOUNJRZJH-WCBMZHEXSA-N 0 1 268.273 0.586 20 5 CCBDMN CC(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284042150 905129103 /nfs/dbraw/zinc/12/91/03/905129103.db2.gz QDXLXWLITCMBER-GWOFURMSSA-N 0 1 283.328 0.461 20 5 CCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccoc1 ZINC001284522586 905357298 /nfs/dbraw/zinc/35/72/98/905357298.db2.gz WFFAVBZNLXCSFA-NXEZZACHSA-N 0 1 281.268 0.133 20 5 CCBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccoc1 ZINC001293142422 906424197 /nfs/dbraw/zinc/42/41/97/906424197.db2.gz ZZOWXIXFRJCZPF-NXEZZACHSA-N 0 1 281.268 0.181 20 5 CCBDMN O=C(N[C@H]1CCCn2nccc21)c1n[nH]cc1[N+](=O)[O-] ZINC001302905148 908051750 /nfs/dbraw/zinc/05/17/50/908051750.db2.gz XTGYHEOPKDBEBK-ZETCQYMHSA-N 0 1 276.256 0.779 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H]2C(=O)OC)c1[N+](=O)[O-] ZINC001304094007 908142388 /nfs/dbraw/zinc/14/23/88/908142388.db2.gz KESRUFRSFAHQSX-ZETCQYMHSA-N 0 1 282.256 0.268 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC(F)F)n1 ZINC001309840757 908476111 /nfs/dbraw/zinc/47/61/11/908476111.db2.gz HPTNIOFAMPFVNI-UHFFFAOYSA-N 0 1 298.271 0.652 20 5 CCBDMN CCn1c(C[N+](=O)[O-])nnc1N1CCN(CC)[C@H](C)C1 ZINC001339453024 921730295 /nfs/dbraw/zinc/73/02/95/921730295.db2.gz AMIVYMVBPNLVRI-SNVBAGLBSA-N 0 1 282.348 0.605 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC/C=C\C2CC2)n1 ZINC001329224529 915755857 /nfs/dbraw/zinc/75/58/57/915755857.db2.gz ZRVCRYOIHAQQPN-IHWYPQMZSA-N 0 1 286.313 0.573 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CN2CCC1CC2 ZINC001336081898 920598059 /nfs/dbraw/zinc/59/80/59/920598059.db2.gz RAMYXDYZJJZKSI-SECBINFHSA-N 0 1 279.300 0.152 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1N[C@H](C)[C@@H]1CN(C)CCN1C ZINC001339814667 921838451 /nfs/dbraw/zinc/83/84/51/921838451.db2.gz FRQVEABBOXOTFQ-YPMHNXCESA-N 0 1 293.371 0.766 20 5 CCBDMN O=C(N[C@H]1CCn2ccnc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC001343109742 923203972 /nfs/dbraw/zinc/20/39/72/923203972.db2.gz MXWJIWWBYZGYIF-ZETCQYMHSA-N 0 1 276.256 0.259 20 5 CCBDMN O=C(N[C@H]1CCn2cc[nH+]c2C1)c1[n-]ncc1[N+](=O)[O-] ZINC001343109742 923203985 /nfs/dbraw/zinc/20/39/85/923203985.db2.gz MXWJIWWBYZGYIF-ZETCQYMHSA-N 0 1 276.256 0.259 20 5 CCBDMN O=C(NCCNC(=O)C1CC2(CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001348934806 924847135 /nfs/dbraw/zinc/84/71/35/924847135.db2.gz YCJMQOBZFFETLP-NXEZZACHSA-N 0 1 281.312 0.074 20 5 CCBDMN CC1(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001353772114 925929954 /nfs/dbraw/zinc/92/99/54/925929954.db2.gz FEMXLURNAXSJKA-LMLFDSFASA-N 0 1 295.339 0.605 20 5 CCBDMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001603367930 972875207 /nfs/dbraw/zinc/87/52/07/972875207.db2.gz LDXINHHKVMMYEQ-DTWKUNHWSA-N 0 1 282.300 0.871 20 5 CCBDMN CC[N@@H+](C)C[C@H](O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001596190380 983563564 /nfs/dbraw/zinc/56/35/64/983563564.db2.gz CGTKXRBHVFEIQN-VIFPVBQESA-N 0 1 298.295 0.984 20 5 CCBDMN C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@H](C(=O)[O-])C1 ZINC001598625388 994083562 /nfs/dbraw/zinc/08/35/62/994083562.db2.gz LGCGLJVAEMEOJQ-MRVPVSSYSA-N 0 1 298.274 0.582 20 5 CCBDMN CC(=O)NC[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000599704248 361793511 /nfs/dbraw/zinc/79/35/11/361793511.db2.gz SMVUFCZIJQTOMG-LBPRGKRZSA-N 0 1 295.343 0.782 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CC2(C)COC2)c1[N+](=O)[O-] ZINC000600307086 361925234 /nfs/dbraw/zinc/92/52/34/361925234.db2.gz ZJLIHHAMRNJPKH-UHFFFAOYSA-N 0 1 268.273 0.735 20 5 CCBDMN C[C@H](O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000097179218 349632194 /nfs/dbraw/zinc/63/21/94/349632194.db2.gz RBOOTZNBODEAJI-LURJTMIESA-N 0 1 264.241 0.582 20 5 CCBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000412721902 529678329 /nfs/dbraw/zinc/67/83/29/529678329.db2.gz PPINOKMLQUKGPD-GMSGAONNSA-N 0 1 270.289 0.843 20 5 CCBDMN O=[N+]([O-])c1cc(CNC[C@H]2COCCN2)cs1 ZINC000600678526 362031897 /nfs/dbraw/zinc/03/18/97/362031897.db2.gz SDOGHPMMFAVEIO-VIFPVBQESA-N 0 1 257.315 0.734 20 5 CCBDMN Cc1nn(C)c(C(=O)N2CCN(C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000347959882 282255238 /nfs/dbraw/zinc/25/52/38/282255238.db2.gz BXELBXSBXWOXEV-SECBINFHSA-N 0 1 295.343 0.803 20 5 CCBDMN CC(C)(C)N1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC000126917130 187269662 /nfs/dbraw/zinc/26/96/62/187269662.db2.gz XKDSTFACLMMBDZ-ZETCQYMHSA-N 0 1 295.299 0.447 20 5 CCBDMN CN1C[C@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)OC1=O ZINC000495754531 529827158 /nfs/dbraw/zinc/82/71/58/529827158.db2.gz QOVALCJYPZOVRH-ZCFIWIBFSA-N 0 1 269.213 0.530 20 5 CCBDMN NC(=O)CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356320219 232046196 /nfs/dbraw/zinc/04/61/96/232046196.db2.gz DKJFRNGYACIDHC-UHFFFAOYSA-N 0 1 267.241 0.296 20 5 CCBDMN C[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CNCCO1 ZINC000602433960 362614808 /nfs/dbraw/zinc/61/48/08/362614808.db2.gz UZPZDNYACUWGKI-LBPRGKRZSA-N 0 1 265.269 0.912 20 5 CCBDMN C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@]1(C)CO ZINC000602722074 362770961 /nfs/dbraw/zinc/77/09/61/362770961.db2.gz LVSPQUKBBUJONB-JOYOIKCWSA-N 0 1 268.317 0.779 20 5 CCBDMN CC[C@H]1CN(C)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602831576 362825647 /nfs/dbraw/zinc/82/56/47/362825647.db2.gz JKLPNGYXAUVZEK-NSHDSACASA-N 0 1 267.333 0.854 20 5 CCBDMN CN(Cc1cn(C)nc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000602833423 362824637 /nfs/dbraw/zinc/82/46/37/362824637.db2.gz ZFCGEFPHDGCSAT-UHFFFAOYSA-N 0 1 284.316 0.302 20 5 CCBDMN C[C@@H]1[C@H](CO)CCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602847607 362834442 /nfs/dbraw/zinc/83/44/42/362834442.db2.gz YJCRKWNMHQXWSB-ZJUUUORDSA-N 0 1 268.317 0.921 20 5 CCBDMN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000264311925 137069049 /nfs/dbraw/zinc/06/90/49/137069049.db2.gz HBEIUSZQWACNGT-MNOVXSKESA-N 0 1 280.328 0.881 20 5 CCBDMN COC[C@@H](O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000310851117 137072739 /nfs/dbraw/zinc/07/27/39/137072739.db2.gz OKYRQUKADSRHSA-JTQLQIEISA-N 0 1 258.249 0.831 20 5 CCBDMN Nc1nc(NCCc2ccc3cn[nH]c3c2)ncc1[N+](=O)[O-] ZINC000343067238 137112831 /nfs/dbraw/zinc/11/28/31/137112831.db2.gz YHGSUZFMZNHLLM-UHFFFAOYSA-N 0 1 299.294 0.750 20 5 CCBDMN Cn1cc(CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000343311751 137126932 /nfs/dbraw/zinc/12/69/32/137126932.db2.gz DZIFUUHGMLQQRN-UHFFFAOYSA-N 0 1 278.272 0.414 20 5 CCBDMN CSc1nc(NC(=O)c2n[nH]cc2[N+](=O)[O-])n[nH]1 ZINC000343351114 137130325 /nfs/dbraw/zinc/13/03/25/137130325.db2.gz DEGNKIFRLWZYCK-UHFFFAOYSA-N 0 1 269.246 0.410 20 5 CCBDMN CSC[C@@H](CCO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344986046 137226309 /nfs/dbraw/zinc/22/63/09/137226309.db2.gz ICQHGKHRACNBAL-ZCFIWIBFSA-N 0 1 274.302 0.162 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000037990028 348221996 /nfs/dbraw/zinc/22/19/96/348221996.db2.gz UORCJHNUUVIKID-UHFFFAOYSA-N 0 1 264.245 0.139 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000038012016 348223586 /nfs/dbraw/zinc/22/35/86/348223586.db2.gz IWTWVIVGPLCTMC-UHFFFAOYSA-N 0 1 263.257 0.895 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCN(C2CC2)C1 ZINC000044411776 348319489 /nfs/dbraw/zinc/31/94/89/348319489.db2.gz JBSMLICGKQYDOC-MRVPVSSYSA-N 0 1 251.290 0.977 20 5 CCBDMN Cc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000044990888 348332049 /nfs/dbraw/zinc/33/20/49/348332049.db2.gz JJQNGMWFANHYAR-JTQLQIEISA-N 0 1 281.272 0.238 20 5 CCBDMN Cn1cc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])n1 ZINC000602915300 362885136 /nfs/dbraw/zinc/88/51/36/362885136.db2.gz AFJDILCKXRQXIU-JMJZKYOTSA-N 0 1 266.301 0.674 20 5 CCBDMN O=C(NCCCO[C@H]1CCCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000347263530 137327951 /nfs/dbraw/zinc/32/79/51/137327951.db2.gz FHSIAVQFVUIRAP-JTQLQIEISA-N 0 1 298.299 0.981 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](O)C1 ZINC000049773475 348458220 /nfs/dbraw/zinc/45/82/20/348458220.db2.gz DUGAXIFXMUHHCG-JTQLQIEISA-N 0 1 254.290 0.556 20 5 CCBDMN Cc1nn(CCC(=O)N2CCNCC2)c(C)c1[N+](=O)[O-] ZINC000053299355 348524776 /nfs/dbraw/zinc/52/47/76/348524776.db2.gz IIEYCERKTQBAKH-UHFFFAOYSA-N 0 1 281.316 0.230 20 5 CCBDMN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000088058934 349354377 /nfs/dbraw/zinc/35/43/77/349354377.db2.gz YITIPMLWWINNKS-SNVBAGLBSA-N 0 1 263.297 0.958 20 5 CCBDMN NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154094906 350575763 /nfs/dbraw/zinc/57/57/63/350575763.db2.gz OWXGKLPLMVSQDB-HTQZYQBOSA-N 0 1 295.299 0.482 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(NCCN2CCN(C)CC2)n1 ZINC000162718598 350750903 /nfs/dbraw/zinc/75/09/03/350750903.db2.gz DAKPBUGDZATWAL-UHFFFAOYSA-N 0 1 279.344 0.958 20 5 CCBDMN Cc1c(CN2C[C@@H](O)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000186542153 351502037 /nfs/dbraw/zinc/50/20/37/351502037.db2.gz HGZAKFMISLARBX-RYUDHWBXSA-N 0 1 266.297 0.831 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C)[C@@H]2CO)c1[N+](=O)[O-] ZINC000192933212 351804790 /nfs/dbraw/zinc/80/47/90/351804790.db2.gz LUDBSLTWPLHAQE-CBAPKCEASA-N 0 1 282.300 0.723 20 5 CCBDMN C[C@@H](O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123659349 187103923 /nfs/dbraw/zinc/10/39/23/187103923.db2.gz ZNGBBDOGJJMCFG-ZCFIWIBFSA-N 0 1 278.261 0.393 20 5 CCBDMN CN1CCN(C)[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000225319996 352001250 /nfs/dbraw/zinc/00/12/50/352001250.db2.gz TUDLRDAFAITVKF-NSHDSACASA-N 0 1 284.385 0.992 20 5 CCBDMN CN1CCN(C)[C@@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000225319996 352001252 /nfs/dbraw/zinc/00/12/52/352001252.db2.gz TUDLRDAFAITVKF-NSHDSACASA-N 0 1 284.385 0.992 20 5 CCBDMN Cc1c(C(=O)NC[C@H]2COCCN2)cccc1[N+](=O)[O-] ZINC000235817794 352188656 /nfs/dbraw/zinc/18/86/56/352188656.db2.gz LDUDREOEHAPCTH-JTQLQIEISA-N 0 1 279.296 0.621 20 5 CCBDMN C[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000604268008 363184019 /nfs/dbraw/zinc/18/40/19/363184019.db2.gz STVVGEGZVYZSEB-QMMMGPOBSA-N 0 1 252.274 0.747 20 5 CCBDMN CN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000604268008 363184023 /nfs/dbraw/zinc/18/40/23/363184023.db2.gz STVVGEGZVYZSEB-QMMMGPOBSA-N 0 1 252.274 0.747 20 5 CCBDMN Cc1c(CN2C[C@H](O)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000245667306 352333050 /nfs/dbraw/zinc/33/30/50/352333050.db2.gz HGZAKFMISLARBX-NWDGAFQWSA-N 0 1 266.297 0.831 20 5 CCBDMN Cn1c(C(=O)N[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000604431611 363196065 /nfs/dbraw/zinc/19/60/65/363196065.db2.gz HOFHOLUHLITQKJ-VIFPVBQESA-N 0 1 278.312 0.900 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000270074244 352901220 /nfs/dbraw/zinc/90/12/20/352901220.db2.gz KCKROBYPXWXWFC-BDAKNGLRSA-N 0 1 282.300 0.859 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000275137317 353188096 /nfs/dbraw/zinc/18/80/96/353188096.db2.gz QCVAWZTVSKGCKQ-ZETCQYMHSA-N 0 1 254.246 0.223 20 5 CCBDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000155324208 188199093 /nfs/dbraw/zinc/19/90/93/188199093.db2.gz UJUTWKVTMVCXQU-GHMZBOCLSA-N 0 1 295.343 0.732 20 5 CCBDMN Cc1nc([C@H](C)Nc2ncc([N+](=O)[O-])c(N)n2)n[nH]1 ZINC000286397556 353583251 /nfs/dbraw/zinc/58/32/51/353583251.db2.gz MZJBIHXMNRQQFH-BYPYZUCNSA-N 0 1 264.249 0.567 20 5 CCBDMN CCN1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000286499625 353591367 /nfs/dbraw/zinc/59/13/67/353591367.db2.gz YCPCCLFZKSXYDI-MRVPVSSYSA-N 0 1 266.305 0.497 20 5 CCBDMN COC(=O)CCCONC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000290663472 353740983 /nfs/dbraw/zinc/74/09/83/353740983.db2.gz OCTLZPUJVLWVKB-UHFFFAOYSA-N 0 1 298.251 0.915 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC)[C@H](C)CO)c1[N+](=O)[O-] ZINC000293661608 353828460 /nfs/dbraw/zinc/82/84/60/353828460.db2.gz MQSSHHVYUQNUSS-SSDOTTSWSA-N 0 1 270.289 0.723 20 5 CCBDMN CCN1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC1=O ZINC000330437398 354358258 /nfs/dbraw/zinc/35/82/58/354358258.db2.gz BRIYPZZLTMUBCM-UHFFFAOYSA-N 0 1 265.269 0.922 20 5 CCBDMN C[C@@H](O)CN1CCN(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000330397352 354343550 /nfs/dbraw/zinc/34/35/50/354343550.db2.gz HBBGUHPMKPOCKQ-WDEREUQCSA-N 0 1 297.359 0.215 20 5 CCBDMN C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1C(=O)[O-] ZINC000424260169 235190069 /nfs/dbraw/zinc/19/00/69/235190069.db2.gz AXEKZQBHHGCOFZ-ONGXEEELSA-N 0 1 282.300 0.976 20 5 CCBDMN CCO[C@H]1COCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000362016316 138042115 /nfs/dbraw/zinc/04/21/15/138042115.db2.gz ACOCWHBUWRDSLF-KOLCDFICSA-N 0 1 284.316 0.612 20 5 CCBDMN CC[C@@H](CO)N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610282208 363548130 /nfs/dbraw/zinc/54/81/30/363548130.db2.gz UFRSIEJGMWVNCW-NSHDSACASA-N 0 1 280.328 0.883 20 5 CCBDMN Cc1cnn([C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000378095436 357648018 /nfs/dbraw/zinc/64/80/18/357648018.db2.gz JZAOEHZYKTVYMJ-GMTAPVOTSA-N 0 1 264.285 0.630 20 5 CCBDMN Cc1ccnc(N2CCN3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000405242039 357824012 /nfs/dbraw/zinc/82/40/12/357824012.db2.gz WRHKCJUXIWXOTL-WDEREUQCSA-N 0 1 278.312 0.553 20 5 CCBDMN O=C([O-])C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000568062007 358629534 /nfs/dbraw/zinc/62/95/34/358629534.db2.gz ZQHKJFQJVRPAEN-UHFFFAOYSA-N 0 1 254.246 0.340 20 5 CCBDMN O=C(NCCOCC1CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000573535064 358976384 /nfs/dbraw/zinc/97/63/84/358976384.db2.gz MYWFOEHUJMXNQX-UHFFFAOYSA-N 0 1 268.273 0.864 20 5 CCBDMN O=C(NC1COCCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000590433792 359461198 /nfs/dbraw/zinc/46/11/98/359461198.db2.gz HEGCJXVSSGWICL-UHFFFAOYSA-N 0 1 282.252 0.446 20 5 CCBDMN COc1cc(N2CC(N3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593508562 360102257 /nfs/dbraw/zinc/10/22/57/360102257.db2.gz RZXJSLOQWRORRJ-GFCCVEGCSA-N 0 1 293.323 0.859 20 5 CCBDMN O=[N+]([O-])c1ccc(-n2cc(CNC3CC3)nn2)nc1 ZINC000594650182 360349665 /nfs/dbraw/zinc/34/96/65/360349665.db2.gz URPHHIMEYZFPFH-UHFFFAOYSA-N 0 1 260.257 0.823 20 5 CCBDMN CN1CCN(C)[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596123890 360803891 /nfs/dbraw/zinc/80/38/91/360803891.db2.gz REQXLKNXFWIJDV-SECBINFHSA-N 0 1 281.316 0.353 20 5 CCBDMN CN(CC1CN(C)C1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596453323 360899270 /nfs/dbraw/zinc/89/92/70/360899270.db2.gz JAZWZPCNUZRTOO-UHFFFAOYSA-N 0 1 276.300 0.635 20 5 CCBDMN CCN(CC)C(=O)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179509621 189198888 /nfs/dbraw/zinc/19/88/88/189198888.db2.gz BGDLRFTURADTOS-UHFFFAOYSA-N 0 1 297.315 0.696 20 5 CCBDMN CCc1nn(C)c(N(C)Cc2nnc[nH]2)c1[N+](=O)[O-] ZINC000179595666 189205892 /nfs/dbraw/zinc/20/58/92/189205892.db2.gz FABORVNEKRDFJK-UHFFFAOYSA-N 0 1 265.277 0.645 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC23COC3)c1[N+](=O)[O-] ZINC000597730506 361214219 /nfs/dbraw/zinc/21/42/19/361214219.db2.gz CVRABBLEJULJMI-UHFFFAOYSA-N 0 1 252.230 0.241 20 5 CCBDMN C[C@@H](CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597992865 361300853 /nfs/dbraw/zinc/30/08/53/361300853.db2.gz OKJQWOCHEGMNLM-QMMMGPOBSA-N 0 1 282.300 0.765 20 5 CCBDMN CCn1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)nn1 ZINC000598142407 361344532 /nfs/dbraw/zinc/34/45/32/361344532.db2.gz LLWVQGYBTJWXKX-UHFFFAOYSA-N 0 1 291.267 0.842 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000598228397 361358702 /nfs/dbraw/zinc/35/87/02/361358702.db2.gz HVVLTMJWURISDZ-AMIZOPFISA-N 0 1 294.311 0.989 20 5 CCBDMN Cc1cncc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000598308104 361386423 /nfs/dbraw/zinc/38/64/23/361386423.db2.gz MJFQPARQOHUSHV-UHFFFAOYSA-N 0 1 276.256 0.389 20 5 CCBDMN O=[N+]([O-])c1cc2c(cc1CNCc1c[nH]nn1)OCCO2 ZINC000598984973 361545967 /nfs/dbraw/zinc/54/59/67/361545967.db2.gz ZQMSZVNVLJZGDT-UHFFFAOYSA-N 0 1 291.267 0.774 20 5 CCBDMN CN(C)c1ccnc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000612346974 363889849 /nfs/dbraw/zinc/88/98/49/363889849.db2.gz PYYXAVIEFHHADY-UHFFFAOYSA-N 0 1 290.283 0.891 20 5 CCBDMN Cc1c(CN2CC[C@@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000276485572 193350974 /nfs/dbraw/zinc/35/09/74/193350974.db2.gz UCUKAXPUBFWZNF-ZDUSSCGKSA-N 0 1 279.296 0.325 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@](O)(CO)C1 ZINC000459650218 249050217 /nfs/dbraw/zinc/05/02/17/249050217.db2.gz SQEYGUKVNFBEAV-AWEZNQCLSA-N 0 1 296.323 0.793 20 5 CCBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](O)[C@H](CO)C1 ZINC000459695687 249053670 /nfs/dbraw/zinc/05/36/70/249053670.db2.gz LQUHXYAKBIHGKL-CDMKHQONSA-N 0 1 266.297 0.941 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCC(O)CC1 ZINC000322330807 285179869 /nfs/dbraw/zinc/17/98/69/285179869.db2.gz NKXKNTCYXNKCIF-UHFFFAOYSA-N 0 1 297.359 0.988 20 5 CCBDMN CO[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1OC ZINC000487983967 285257750 /nfs/dbraw/zinc/25/77/50/285257750.db2.gz XUSYKRHIJQEIJS-NXEZZACHSA-N 0 1 270.289 0.137 20 5 CCBDMN C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295411002 389007374 /nfs/dbraw/zinc/00/73/74/389007374.db2.gz SISHLWUDCFDDDG-VIFPVBQESA-N 0 1 293.327 0.874 20 5 CCBDMN Cc1nnc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[nH]1 ZINC000193612520 389074945 /nfs/dbraw/zinc/07/49/45/389074945.db2.gz HINRNKMWHBOSLB-UHFFFAOYSA-N 0 1 264.201 0.374 20 5 CCBDMN CN(C)c1ncccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000135906657 389262506 /nfs/dbraw/zinc/26/25/06/389262506.db2.gz IAACZGLSSBYFMQ-UHFFFAOYSA-N 0 1 290.283 0.709 20 5 CCBDMN CN(C)c1[nH+]cccc1CNC(=O)c1[n-]ncc1[N+](=O)[O-] ZINC000135906657 389262507 /nfs/dbraw/zinc/26/25/07/389262507.db2.gz IAACZGLSSBYFMQ-UHFFFAOYSA-N 0 1 290.283 0.709 20 5 CCBDMN C[C@@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCO1 ZINC000153478277 389301360 /nfs/dbraw/zinc/30/13/60/389301360.db2.gz DTCLTGZEMBABFR-JTQLQIEISA-N 0 1 254.246 0.617 20 5 CCBDMN C[C@@H]1[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CCCN1C ZINC000345312964 389303039 /nfs/dbraw/zinc/30/30/39/389303039.db2.gz GDHBFWFDHJGCKT-BDAKNGLRSA-N 0 1 281.316 0.541 20 5 CCBDMN C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)N1 ZINC000153672841 389306360 /nfs/dbraw/zinc/30/63/60/389306360.db2.gz XRPWMOGOUANFPI-UWVGGRQHSA-N 0 1 281.316 0.390 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](O)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000422004465 389388719 /nfs/dbraw/zinc/38/87/19/389388719.db2.gz KGPZCUSAKWTCHN-YUMQZZPRSA-N 0 1 282.300 0.866 20 5 CCBDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000179247285 389648329 /nfs/dbraw/zinc/64/83/29/389648329.db2.gz WVTKCXOQKSINFH-AOOOYVTPSA-N 0 1 281.316 0.342 20 5 CCBDMN COc1cc(CN(CCO)CCCO)ccc1[N+](=O)[O-] ZINC000352426496 389808911 /nfs/dbraw/zinc/80/89/11/389808911.db2.gz VAUSLJKWWUSEIG-UHFFFAOYSA-N 0 1 284.312 0.780 20 5 CCBDMN C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000479590837 390081947 /nfs/dbraw/zinc/08/19/47/390081947.db2.gz WIJWOEDSSXYPQJ-ZETCQYMHSA-N 0 1 293.287 0.522 20 5 CCBDMN CC(C)[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000489364847 390099528 /nfs/dbraw/zinc/09/95/28/390099528.db2.gz JJNSJABJGOAPOF-LLVKDONJSA-N 0 1 295.343 0.590 20 5 CCBDMN O=C(N[C@@H](CO)C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000539987633 390215603 /nfs/dbraw/zinc/21/56/03/390215603.db2.gz QMXMNHYWSYKRHP-VIFPVBQESA-N 0 1 282.300 0.989 20 5 CCBDMN CN1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000538821738 390199075 /nfs/dbraw/zinc/19/90/75/390199075.db2.gz YKOMLSPQIVPFSA-UHFFFAOYSA-N 0 1 279.300 0.180 20 5 CCBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1COC[C@H]1O ZINC000583510349 390289270 /nfs/dbraw/zinc/28/92/70/390289270.db2.gz PATCRYNHEMPLFZ-NQBHXWOUSA-N 0 1 264.281 0.931 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC)[C@H]2CCNC2=O)c1[N+](=O)[O-] ZINC000282105593 195504873 /nfs/dbraw/zinc/50/48/73/195504873.db2.gz GIDZMMDEGTYESF-QMMMGPOBSA-N 0 1 295.299 0.231 20 5 CCBDMN C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCN1 ZINC000237603411 131046516 /nfs/dbraw/zinc/04/65/16/131046516.db2.gz ATGVIUNCKKFLIS-JTQLQIEISA-N 0 1 279.296 0.794 20 5 CCBDMN C[C@H]1CCN(C)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356485008 144006901 /nfs/dbraw/zinc/00/69/01/144006901.db2.gz SSOAZSBQWFJFJN-VIFPVBQESA-N 0 1 281.316 0.495 20 5 CCBDMN Cn1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000356726174 144027133 /nfs/dbraw/zinc/02/71/33/144027133.db2.gz KUSGDILKWUGOJI-UHFFFAOYSA-N 0 1 276.252 0.964 20 5 CCBDMN CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])n[nH]2)n[nH]1 ZINC000285727686 196380006 /nfs/dbraw/zinc/38/00/06/196380006.db2.gz GFNUQFVPLAXXGG-RXMQYKEDSA-N 0 1 279.260 0.489 20 5 CCBDMN C[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130432901 290195936 /nfs/dbraw/zinc/19/59/36/290195936.db2.gz DAEYKDNFWHCBTA-SECBINFHSA-N 0 1 279.296 0.982 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000263679978 536001534 /nfs/dbraw/zinc/00/15/34/536001534.db2.gz GXVZQEXLSJSHSZ-SSDOTTSWSA-N 0 1 268.273 0.741 20 5 CCBDMN Cc1nc(N2C[C@H](C)N(CCO)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000419010604 534449316 /nfs/dbraw/zinc/44/93/16/534449316.db2.gz ZBAVEXYYLXGHPU-VHSXEESVSA-N 0 1 295.343 0.585 20 5 CCBDMN CC(C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nncn1C ZINC000340734734 519820543 /nfs/dbraw/zinc/82/05/43/519820543.db2.gz FIEQZZHTEWICKB-QMMMGPOBSA-N 0 1 293.287 0.574 20 5 CCBDMN CC(C)[C@H](CO)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000346006502 535032228 /nfs/dbraw/zinc/03/22/28/535032228.db2.gz OHJSYDPGQLIXIH-ZETCQYMHSA-N 0 1 256.262 0.312 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2nc[nH]n2)c1[N+](=O)[O-] ZINC000269448015 535319634 /nfs/dbraw/zinc/31/96/34/535319634.db2.gz FZIPFCHYGABFJG-UHFFFAOYSA-N 0 1 293.287 0.832 20 5 CCBDMN CC(C)c1n[nH]c(C(=O)N(C)Cc2nnc[nH]2)c1[N+](=O)[O-] ZINC000269448015 535319638 /nfs/dbraw/zinc/31/96/38/535319638.db2.gz FZIPFCHYGABFJG-UHFFFAOYSA-N 0 1 293.287 0.832 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](O)C[C@H]2C)c1[N+](=O)[O-] ZINC000346715701 536000380 /nfs/dbraw/zinc/00/03/80/536000380.db2.gz NLVUPJBBSCDMGC-SFYZADRCSA-N 0 1 282.300 0.866 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)O[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000349053760 536002793 /nfs/dbraw/zinc/00/27/93/536002793.db2.gz OHGDEQISFTVXLZ-HTQZYQBOSA-N 0 1 298.299 0.102 20 5 CCBDMN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[nH]1 ZINC000791352263 581216873 /nfs/dbraw/zinc/21/68/73/581216873.db2.gz VNFJOXGVMXIYJF-UHFFFAOYSA-N 0 1 280.219 0.995 20 5 CCBDMN Cc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n1 ZINC000791352263 581216874 /nfs/dbraw/zinc/21/68/74/581216874.db2.gz VNFJOXGVMXIYJF-UHFFFAOYSA-N 0 1 280.219 0.995 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2C[C@]2(CO)C1 ZINC000782608088 581313274 /nfs/dbraw/zinc/31/32/74/581313274.db2.gz KIRWPUADEABHNO-GXFFZTMASA-N 0 1 279.296 0.071 20 5 CCBDMN CC(C)c1n[nH]c(COC(=O)Cn2ccc([N+](=O)[O-])n2)n1 ZINC000795340004 581404391 /nfs/dbraw/zinc/40/43/91/581404391.db2.gz XFOVPEWEOWDINQ-UHFFFAOYSA-N 0 1 294.271 0.776 20 5 CCBDMN CC(C)c1nc(COC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000795340004 581404392 /nfs/dbraw/zinc/40/43/92/581404392.db2.gz XFOVPEWEOWDINQ-UHFFFAOYSA-N 0 1 294.271 0.776 20 5 CCBDMN Cc1nc(COC(=O)CCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000770640410 581758727 /nfs/dbraw/zinc/75/87/27/581758727.db2.gz ZWTHQQSBPZTTBQ-UHFFFAOYSA-N 0 1 280.244 0.351 20 5 CCBDMN CC(=O)O[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000763233061 581991303 /nfs/dbraw/zinc/99/13/03/581991303.db2.gz AKBMDYJNEDTPOH-SECBINFHSA-N 0 1 296.283 0.794 20 5 CCBDMN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000763882965 582018711 /nfs/dbraw/zinc/01/87/11/582018711.db2.gz XXASJBHMRTXHMW-UONOGXRCSA-N 0 1 296.323 0.711 20 5 CCBDMN O=C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000776581863 582080505 /nfs/dbraw/zinc/08/05/05/582080505.db2.gz NVVKXFHDKMWDDG-LBPRGKRZSA-N 0 1 279.296 0.450 20 5 CCBDMN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(CO)CO ZINC000776586060 582082515 /nfs/dbraw/zinc/08/25/15/582082515.db2.gz INVBVJFBUANVJK-CYBMUJFWSA-N 0 1 298.339 0.551 20 5 CCBDMN O=C([O-])NC[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000832594221 603998681 /nfs/dbraw/zinc/99/86/81/603998681.db2.gz BRHAJBUUNSEAPS-VIFPVBQESA-N 0 1 283.288 0.381 20 5 CCBDMN COc1cc([C@H](C)NCC[N+](=O)[O-])ccc1OCCO ZINC000930207123 617216867 /nfs/dbraw/zinc/21/68/67/617216867.db2.gz DPRLAPSVESAGSZ-JTQLQIEISA-N 0 1 284.312 0.994 20 5 CCBDMN COc1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000894431222 617217830 /nfs/dbraw/zinc/21/78/30/617217830.db2.gz FFKOMLUYAHKLAR-WDEREUQCSA-N 0 1 294.311 0.254 20 5 CCBDMN CC(=O)NCCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830148271 613735960 /nfs/dbraw/zinc/73/59/60/613735960.db2.gz OWEFRRMFKFZGDS-ZDUSSCGKSA-N 0 1 281.312 0.696 20 5 CCBDMN CCCCCCNC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672100 614911999 /nfs/dbraw/zinc/91/19/99/614911999.db2.gz LRDGHQKGTHTRLT-NXEZZACHSA-N 0 1 272.301 0.891 20 5 CCBDMN CC[N@H+](CCC(=O)[O-])CCn1ccc([N+](=O)[O-])n1 ZINC000829701596 615034821 /nfs/dbraw/zinc/03/48/21/615034821.db2.gz IPFBYEVNIXEYDO-UHFFFAOYSA-N 0 1 256.262 0.588 20 5 CCBDMN CCC[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OCC ZINC000839750145 615043314 /nfs/dbraw/zinc/04/33/14/615043314.db2.gz ZRNLLMGEOJXZLG-OPRDCNLKSA-N 0 1 272.301 0.747 20 5 CCBDMN CCN1CC[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000819297220 615304367 /nfs/dbraw/zinc/30/43/67/615304367.db2.gz BIHYGRUOCQZYBR-QWHCGFSZSA-N 0 1 293.323 0.839 20 5 CCBDMN CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856306988 615329934 /nfs/dbraw/zinc/32/99/34/615329934.db2.gz IISGIWYELJVLJE-DNJQJEMRSA-N 0 1 284.312 0.890 20 5 CCBDMN CC[C@](C)(CC(=O)OC)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000119019521 615944926 /nfs/dbraw/zinc/94/49/26/615944926.db2.gz OYYCJFMVDNUGNQ-LLVKDONJSA-N 0 1 284.272 0.780 20 5 CCBDMN CN(C)C(=O)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105855461 615971115 /nfs/dbraw/zinc/97/11/15/615971115.db2.gz YGADSKJIRQJEHK-LLVKDONJSA-N 0 1 267.285 0.306 20 5 CCBDMN CCn1cc([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000839788797 616012051 /nfs/dbraw/zinc/01/20/51/616012051.db2.gz JIXDNWYHIFYPTJ-SZEHBUNVSA-N 0 1 252.274 0.745 20 5 CCBDMN CN(C)c1cncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000869958412 616032391 /nfs/dbraw/zinc/03/23/91/616032391.db2.gz GGOFRRUTGNYOJP-NXEZZACHSA-N 0 1 250.258 0.751 20 5 CCBDMN CN1CCC[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825732469 616190275 /nfs/dbraw/zinc/19/02/75/616190275.db2.gz WJOKUFNZZDBQQD-DGCLKSJQSA-N 0 1 293.323 0.839 20 5 CCBDMN CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000931409059 616242422 /nfs/dbraw/zinc/24/24/22/616242422.db2.gz IPTFCXJFZFVXJO-CYBMUJFWSA-N 0 1 295.339 0.582 20 5 CCBDMN CN1CCN(c2ncccc2CNCC[N+](=O)[O-])CC1 ZINC000905065173 616247593 /nfs/dbraw/zinc/24/75/93/616247593.db2.gz NMZLAJINPJXLPJ-UHFFFAOYSA-N 0 1 279.344 0.200 20 5 CCBDMN COC(=O)[C@@H]1CC(F)(F)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000881728501 616279138 /nfs/dbraw/zinc/27/91/38/616279138.db2.gz VADINHCKQPLICZ-QYNIQEEDSA-N 0 1 278.211 0.061 20 5 CCBDMN CN1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1=O ZINC000816448832 616283810 /nfs/dbraw/zinc/28/38/10/616283810.db2.gz LMFMUACWLXKKFI-SSDOTTSWSA-N 0 1 253.214 0.310 20 5 CCBDMN COC(=O)C1=CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000862667048 616431711 /nfs/dbraw/zinc/43/17/11/616431711.db2.gz XOPJMRMTFZGJNF-ZETCQYMHSA-N 0 1 280.240 0.310 20 5 CCBDMN COC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccnc1 ZINC000848161292 616630079 /nfs/dbraw/zinc/63/00/79/616630079.db2.gz VYASXFKWWQGARI-OPRDCNLKSA-N 0 1 279.252 0.077 20 5 CCBDMN COC(=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839698682 616698107 /nfs/dbraw/zinc/69/81/07/616698107.db2.gz HJDQIRTXCYTXES-HRDYMLBCSA-N 0 1 256.258 0.110 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000892838214 623851596 /nfs/dbraw/zinc/85/15/96/623851596.db2.gz LYDRRHNDNKRYMH-NSHDSACASA-N 0 1 295.343 0.487 20 5 CCBDMN O=C(C=C1CCC1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010976686 624840346 /nfs/dbraw/zinc/84/03/46/624840346.db2.gz WJTQDGYJASRLMV-VXGBXAGGSA-N 0 1 293.323 0.433 20 5 CCBDMN O=C(CC1CC1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000976038720 625807429 /nfs/dbraw/zinc/80/74/29/625807429.db2.gz FQBVNKSTNLBNJK-HMUNZLOLSA-N 0 1 293.323 0.025 20 5 CCBDMN O=C(COc1ccccc1)N1CC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905254495 634827838 /nfs/dbraw/zinc/82/78/38/634827838.db2.gz LYAZQAWRJJKRHT-GFCCVEGCSA-N 0 1 293.323 0.533 20 5 CCBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CCOCC1 ZINC000909393998 630822470 /nfs/dbraw/zinc/82/24/70/630822470.db2.gz DPOMFOXOXNVCKV-FXBDTBDDSA-N 0 1 271.269 0.579 20 5 CCBDMN COc1ncccc1C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673354 631712793 /nfs/dbraw/zinc/71/27/93/631712793.db2.gz LRVXJQLUGCZKCZ-RKDXNWHRSA-N 0 1 280.236 0.481 20 5 CCBDMN Cc1cc(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC000840673376 631713021 /nfs/dbraw/zinc/71/30/21/631713021.db2.gz MLGVMWSNTIOOAR-RNFRBKRXSA-N 0 1 254.198 0.374 20 5 CCBDMN O=C(NCC1(Br)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000910223081 635706653 /nfs/dbraw/zinc/70/66/53/635706653.db2.gz YSWDTRLPMSKUGO-PHDIDXHHSA-N 0 1 263.091 0.695 20 5 CCBDMN Cn1c(C(=O)N2CC[C@H](N3CCC3)C2)ccc1[N+](=O)[O-] ZINC000912924566 636712967 /nfs/dbraw/zinc/71/29/67/636712967.db2.gz ZATJWHAWTYLHRO-JTQLQIEISA-N 0 1 278.312 0.854 20 5 CCBDMN CC(C)(O)CN1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000172910424 637194636 /nfs/dbraw/zinc/19/46/36/637194636.db2.gz AXFWIDUFCVRZFJ-UHFFFAOYSA-N 0 1 283.332 0.137 20 5 CCBDMN C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000154147716 637921862 /nfs/dbraw/zinc/92/18/62/637921862.db2.gz KJZSBTLKJRRELC-IUCAKERBSA-N 0 1 278.312 0.999 20 5 CCBDMN C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839685794 640350466 /nfs/dbraw/zinc/35/04/66/640350466.db2.gz IPAWQGJVNIRYIP-ABXADNKVSA-N 0 1 260.315 0.020 20 5 CCBDMN C[C@H](c1ccccc1)[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726197 640358011 /nfs/dbraw/zinc/35/80/11/640358011.db2.gz VOYQAHKMHWHGMO-FOUMNBMASA-N 0 1 278.308 0.932 20 5 CCBDMN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839729655 640359719 /nfs/dbraw/zinc/35/97/19/640359719.db2.gz VLMOEUNDEGPYJR-DJLDLDEBSA-N 0 1 271.317 0.413 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2CSC[C@H]2C1 ZINC000827102489 641980061 /nfs/dbraw/zinc/98/00/61/641980061.db2.gz KTIWBAVEONJUJY-SGIHWFKDSA-N 0 1 256.327 0.863 20 5 CCBDMN O=C(NCC[C@@H](O)C1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000831401899 642360191 /nfs/dbraw/zinc/36/01/91/642360191.db2.gz KUCVYCJXWVYUFD-GMTAPVOTSA-N 0 1 256.302 0.709 20 5 CCBDMN O=C(NC[C@@H]1C[C@H]2CCC[C@@H]2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000834366646 642557446 /nfs/dbraw/zinc/55/74/46/642557446.db2.gz LWYNUKUGJFDEIS-QGKZMRNZSA-N 0 1 254.286 0.725 20 5 CCBDMN O=C(OCCNc1ncccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000842300578 642890456 /nfs/dbraw/zinc/89/04/56/642890456.db2.gz MQCGNKANNYUVDN-HTQZYQBOSA-N 0 1 252.230 0.097 20 5 CCBDMN C[C@H](CNC(=O)c1cccnc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842322474 642890844 /nfs/dbraw/zinc/89/08/44/642890844.db2.gz UEQRVKCGIVJHRD-FBIMIBRVSA-N 0 1 293.279 0.408 20 5 CCBDMN C[C@@H](CO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000846470087 643409394 /nfs/dbraw/zinc/40/93/94/643409394.db2.gz DYCOWXSIJPJBRG-JMJZKYOTSA-N 0 1 256.302 0.519 20 5 CCBDMN C[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000853219405 644091508 /nfs/dbraw/zinc/09/15/08/644091508.db2.gz HORBWRDFABPMDO-ZETCQYMHSA-N 0 1 280.244 0.604 20 5 CCBDMN O=C(NC[C@@H]1Cc2ccccc2CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000862422521 644999144 /nfs/dbraw/zinc/99/91/44/644999144.db2.gz GAPSSOFPTWOLMW-YNEHKIRRSA-N 0 1 276.292 0.909 20 5 CCBDMN Cc1ccc(CNC(=O)C[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000867995425 645700891 /nfs/dbraw/zinc/70/08/91/645700891.db2.gz CVBDVWSOSOCSEB-LBPRGKRZSA-N 0 1 293.323 0.898 20 5 CCBDMN C[C@@H](CN1CCCC1=O)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000870749620 646021053 /nfs/dbraw/zinc/02/10/53/646021053.db2.gz XNEMVDHQROPHEX-DJLDLDEBSA-N 0 1 256.258 0.206 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN[C@H](c2ccc(F)cc2)C1 ZINC000874890579 646493487 /nfs/dbraw/zinc/49/34/87/646493487.db2.gz UVFQCSZUFNSRIR-FRRDWIJNSA-N 0 1 293.298 0.964 20 5 CCBDMN C[C@H]1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CO1 ZINC000888717853 646596839 /nfs/dbraw/zinc/59/68/39/646596839.db2.gz RHXPYLHLOLAROS-OTLBEIPNSA-N 0 1 254.286 0.725 20 5 CCBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC=C[C@H]1CO ZINC000880488232 647211442 /nfs/dbraw/zinc/21/14/42/647211442.db2.gz ADBCIMSODUXAAB-RYUDHWBXSA-N 0 1 294.307 0.567 20 5 CCBDMN O=C(N[C@H](c1ncccn1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000928572393 648654024 /nfs/dbraw/zinc/65/40/24/648654024.db2.gz BYTRWUFQACORLZ-BBBLOLIVSA-N 0 1 262.269 0.709 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCN(C)CC1 ZINC000929227607 648717347 /nfs/dbraw/zinc/71/73/47/648717347.db2.gz AKOYEBCIWLCFEU-UHFFFAOYSA-N 0 1 281.316 0.264 20 5 CCBDMN C[C@@H](O)[C@@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000929271063 648721982 /nfs/dbraw/zinc/72/19/82/648721982.db2.gz TZJMXXKLOPOFHJ-RISCZKNCSA-N 0 1 295.339 0.459 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1C1OCCO1 ZINC000933895845 649147063 /nfs/dbraw/zinc/14/70/63/649147063.db2.gz JPEQNEVSJDYUCL-LLVKDONJSA-N 0 1 296.327 0.937 20 5 CCBDMN O=[N+]([O-])CCN1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934432753 649174558 /nfs/dbraw/zinc/17/45/58/649174558.db2.gz WTEDUCLTHCWZPE-CHWSQXEVSA-N 0 1 250.298 0.799 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000935192290 649216731 /nfs/dbraw/zinc/21/67/31/649216731.db2.gz RRBLWKACHOTIHB-UWVGGRQHSA-N 0 1 295.343 0.651 20 5 CCBDMN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cnccn1 ZINC000090539185 649680897 /nfs/dbraw/zinc/68/08/97/649680897.db2.gz APKCOOAQLOIVEJ-VIFPVBQESA-N 0 1 262.273 0.932 20 5 CCBDMN Cc1ncoc1CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266272763 790374899 /nfs/dbraw/zinc/37/48/99/790374899.db2.gz BDWYRZKNYIDJNM-NXEZZACHSA-N 0 1 282.300 0.196 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CCOC2=O)n1 ZINC001231260135 805764325 /nfs/dbraw/zinc/76/43/25/805764325.db2.gz RXOOIOGAQMCDJI-ZETCQYMHSA-N 0 1 254.198 0.698 20 5 CCBDMN CC(C)c1nc(C(N)=O)c(O[C@@H](C)C[N+](C)(C)C)c(=O)[n-]1 ZINC001234564274 806273802 /nfs/dbraw/zinc/27/38/02/806273802.db2.gz BINHABPHUDAGFL-VIFPVBQESA-O 0 1 297.379 0.878 20 5 CCBDMN O=C(Nc1c[nH]nn1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001154597848 800808329 /nfs/dbraw/zinc/80/83/29/800808329.db2.gz ODCZVHVDQOSBDY-UHFFFAOYSA-N 0 1 277.196 0.694 20 5 CCBDMN COC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC001155068451 800902491 /nfs/dbraw/zinc/90/24/91/800902491.db2.gz IVXPHALKDIQVPZ-VIFPVBQESA-N 0 1 292.255 0.225 20 5 CCBDMN CCOC(=O)c1c(CN)ncn1-c1cc([N+](=O)[O-])ccn1 ZINC001155078018 800904642 /nfs/dbraw/zinc/90/46/42/800904642.db2.gz QTLDNWBUTPAENJ-UHFFFAOYSA-N 0 1 291.267 0.811 20 5 CCBDMN O=C(NC[C@@H](O)c1cnc[nH]1)c1ccc([N+](=O)[O-])s1 ZINC001155082825 800905556 /nfs/dbraw/zinc/90/55/56/800905556.db2.gz CNPYVKQJWIGAFA-SSDOTTSWSA-N 0 1 282.281 0.843 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001156829099 801243582 /nfs/dbraw/zinc/24/35/82/801243582.db2.gz IDICMDWPTWHNHL-UHFFFAOYSA-N 0 1 299.294 0.903 20 5 CCBDMN NCc1nnnn1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001158075056 801565270 /nfs/dbraw/zinc/56/52/70/801565270.db2.gz QWGPAHYIVCGHTK-UHFFFAOYSA-N 0 1 271.240 0.577 20 5 CCBDMN Cc1[nH]nc(C(=O)N(CC(F)F)C[C@H](C)O)c1[N+](=O)[O-] ZINC001158145652 801577065 /nfs/dbraw/zinc/57/70/65/801577065.db2.gz NLYLENVTPQEDMC-YFKPBYRVSA-N 0 1 292.242 0.714 20 5 CCBDMN COc1nc(N2CCN3CC[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001158423924 801643879 /nfs/dbraw/zinc/64/38/79/801643879.db2.gz OQOJBQNIZRBSFT-QMMMGPOBSA-N 0 1 295.299 0.296 20 5 CCBDMN CC[C@@](C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])OC ZINC001158788230 801704150 /nfs/dbraw/zinc/70/41/50/801704150.db2.gz BHTOESAZQULFQS-JTQLQIEISA-N 0 1 256.262 0.863 20 5 CCBDMN COC(=O)c1ccnc(NC[C@@H]2COCCN2)c1[N+](=O)[O-] ZINC001159044003 801748916 /nfs/dbraw/zinc/74/89/16/801748916.db2.gz LLUPXONZJDUGMN-MRVPVSSYSA-N 0 1 296.283 0.177 20 5 CCBDMN CO[C@@H]1COCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001159237020 801777225 /nfs/dbraw/zinc/77/72/25/801777225.db2.gz CILFZGQQMWZCQH-IONNQARKSA-N 0 1 284.272 0.099 20 5 CCBDMN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncc([N+](=O)[O-])cc1C ZINC001159292104 801785324 /nfs/dbraw/zinc/78/53/24/801785324.db2.gz CRRNEXHMOUGRLV-UHFFFAOYSA-N 0 1 277.284 0.999 20 5 CCBDMN CC[C@](N)(CO)Nc1cc(OC)c([N+](=O)[O-])cn1 ZINC001159744683 801860159 /nfs/dbraw/zinc/86/01/59/801860159.db2.gz YXNCFBDWUVHGOJ-SNVBAGLBSA-N 0 1 256.262 0.468 20 5 CCBDMN COC(=O)[C@H]1CNCCN1c1ncc([N+](=O)[O-])cc1C ZINC001165435713 802839658 /nfs/dbraw/zinc/83/96/58/802839658.db2.gz DPFNKQMXFBSSSC-SNVBAGLBSA-N 0 1 280.284 0.249 20 5 CCBDMN COC(=O)[C@H]1CNCCN1c1ncc(C)cc1[N+](=O)[O-] ZINC001165436958 802840896 /nfs/dbraw/zinc/84/08/96/802840896.db2.gz NMWMMGSCQMSEBC-SNVBAGLBSA-N 0 1 280.284 0.249 20 5 CCBDMN C[C@H](O)C(=O)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094502 805320090 /nfs/dbraw/zinc/32/00/90/805320090.db2.gz DFTHMABQBLVRJH-YFKPBYRVSA-N 0 1 279.208 0.530 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1nc(O)cc(=O)[nH]1 ZINC001228388350 805441975 /nfs/dbraw/zinc/44/19/75/805441975.db2.gz HXCFYWROHSXQTG-ZCFIWIBFSA-N 0 1 295.255 0.768 20 5 CCBDMN C[C@@H](O)CC(=O)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604209 805458484 /nfs/dbraw/zinc/45/84/84/805458484.db2.gz PMDQEQKXWYKCTP-RXMQYKEDSA-N 0 1 283.240 0.644 20 5 CCBDMN Cc1nc(O[C@H]2CCOC2=O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375340 805526336 /nfs/dbraw/zinc/52/63/36/805526336.db2.gz BFJKRESIVUHLMR-YFKPBYRVSA-N 0 1 255.186 0.093 20 5 CCBDMN Cc1nc(O[C@@H]2CCCOC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229376484 805526415 /nfs/dbraw/zinc/52/64/15/805526415.db2.gz VLQRENKEZNYLMG-SSDOTTSWSA-N 0 1 255.230 0.957 20 5 CCBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC001126806206 815119337 /nfs/dbraw/zinc/11/93/37/815119337.db2.gz FODFAWYSAGYXCT-UHFFFAOYSA-N 0 1 289.295 0.838 20 5 CCBDMN C[C@H]([NH3+])CO[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001263141215 809457482 /nfs/dbraw/zinc/45/74/82/809457482.db2.gz QVCWVHBKBPWQKO-VIFPVBQESA-N 0 1 267.285 0.922 20 5 CCBDMN Cc1nc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])oc1C ZINC001126943056 815352945 /nfs/dbraw/zinc/35/29/45/815352945.db2.gz IRHKSTHPJLFDBM-NXEZZACHSA-N 0 1 282.300 0.162 20 5 CCBDMN COc1ncc([N+](=O)[O-])cc1-n1c(C)ncc(CN)c1=N ZINC001167674518 811188897 /nfs/dbraw/zinc/18/88/97/811188897.db2.gz TXZYLGMKVZSLIK-UHFFFAOYSA-N 0 1 290.283 0.431 20 5 CCBDMN O=C(NCC1(NCc2ccon2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001269411727 813362593 /nfs/dbraw/zinc/36/25/93/813362593.db2.gz QVPASUDJRZAEKU-NXEZZACHSA-N 0 1 280.284 0.078 20 5 CCBDMN C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])O2)CO1 ZINC000894619423 813874254 /nfs/dbraw/zinc/87/42/54/813874254.db2.gz OYWXJUSOGATSRV-UYNYGYNWSA-N 0 1 284.312 0.494 20 5 CCBDMN O=C(NC1(CNC(=O)C2CCC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001062381413 819929732 /nfs/dbraw/zinc/92/97/32/819929732.db2.gz ZJEBZNOZWYPZHU-GHMZBOCLSA-N 0 1 295.339 0.607 20 5 CCBDMN CCCCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989977 820129053 /nfs/dbraw/zinc/12/90/53/820129053.db2.gz WVYNMZMMUQZLNR-GHMZBOCLSA-N 0 1 297.355 0.997 20 5 CCBDMN CC(C)CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989497 820129321 /nfs/dbraw/zinc/12/93/21/820129321.db2.gz GNUXEXCCTFAENA-GHMZBOCLSA-N 0 1 297.355 0.853 20 5 CCBDMN CC(=O)NC[C@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001086287852 822188153 /nfs/dbraw/zinc/18/81/53/822188153.db2.gz UNZSGRYEMBSDJV-MGCOHNPYSA-N 0 1 281.316 0.333 20 5 CCBDMN Cn1ncc2c1CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001129698763 837545564 /nfs/dbraw/zinc/54/55/64/837545564.db2.gz UEVBAISMKUNFGA-MWLCHTKSSA-N 0 1 264.285 0.360 20 5 CCBDMN NCc1nnnn1-c1c(Cl)nccc1[N+](=O)[O-] ZINC001168919187 836051615 /nfs/dbraw/zinc/05/16/15/836051615.db2.gz VHJSVKWHXNHWGO-UHFFFAOYSA-N 0 1 255.625 0.078 20 5 CCBDMN NCc1nnnn1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001168920422 836053494 /nfs/dbraw/zinc/05/34/94/836053494.db2.gz QOSVWLSHSKTEHV-UHFFFAOYSA-N 0 1 255.625 0.078 20 5 CCBDMN NC(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030361 836107449 /nfs/dbraw/zinc/10/74/49/836107449.db2.gz ZBPMCPIHCPMOQG-VHSXEESVSA-N 0 1 256.306 0.128 20 5 CCBDMN CS(=O)(=O)[C@@H]1CCCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169039951 836112471 /nfs/dbraw/zinc/11/24/71/836112471.db2.gz WGOGAAHCMLNIIS-IJLUTSLNSA-N 0 1 290.385 0.941 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1cc([N+](=O)[O-])ccn1 ZINC001156825631 836710393 /nfs/dbraw/zinc/71/03/93/836710393.db2.gz UJMRRROCBBUETC-UHFFFAOYSA-N 0 1 260.257 0.422 20 5 CCBDMN O=[N+]([O-])c1cc(NC[C@@H]2COCCN2)cnc1F ZINC001170045935 836788010 /nfs/dbraw/zinc/78/80/10/836788010.db2.gz YAQJFQZEELXMOO-MRVPVSSYSA-N 0 1 256.237 0.529 20 5 CCBDMN CC[C@](N)(CO)Nc1ncc([N+](=O)[O-])cc1NC ZINC001170857856 839437771 /nfs/dbraw/zinc/43/77/71/839437771.db2.gz KOBNSEOPWJLXCL-SNVBAGLBSA-N 0 1 255.278 0.501 20 5 CCBDMN CC[C@@](N)(CO)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC001170863046 839456730 /nfs/dbraw/zinc/45/67/30/839456730.db2.gz LJXHSMOMTOVCGZ-VIFPVBQESA-N 0 1 260.681 0.534 20 5 CCBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC1CS(=O)(=O)C1 ZINC001173213088 842022651 /nfs/dbraw/zinc/02/26/51/842022651.db2.gz DPOQFGHKUFCYPW-VIFPVBQESA-N 0 1 284.337 0.912 20 5 CCBDMN CC(C)c1ncc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)[nH]1 ZINC001179091792 842965263 /nfs/dbraw/zinc/96/52/63/842965263.db2.gz DJMLQVRSUHJTDD-UHFFFAOYSA-N 0 1 292.299 0.954 20 5 CCBDMN Cc1nc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])oc1C ZINC001481229615 892402849 /nfs/dbraw/zinc/40/28/49/892402849.db2.gz UZRRAGZURKWHCE-GHMZBOCLSA-N 0 1 296.327 0.505 20 5 CCBDMN C[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001326025726 913704427 /nfs/dbraw/zinc/70/44/27/913704427.db2.gz REVBBALQYQFTJX-IWSPIJDZSA-N 0 1 272.301 0.888 20 5 CCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nccs1 ZINC001490193215 900564459 /nfs/dbraw/zinc/56/44/59/900564459.db2.gz NCZRQFXZTHFJAI-NXEZZACHSA-N 0 1 298.368 0.746 20 5 CCBDMN Cc1ccc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001491086847 903344106 /nfs/dbraw/zinc/34/41/06/903344106.db2.gz XSYFCEILTZZONL-RKDXNWHRSA-N 0 1 281.268 0.099 20 5 CCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCCF ZINC001285367973 905609194 /nfs/dbraw/zinc/60/91/94/905609194.db2.gz PUHAGJGCOROINQ-NXEZZACHSA-N 0 1 289.307 0.318 20 5 CCBDMN CC/C(C)=C/C(=O)N(CC)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296300653 906898902 /nfs/dbraw/zinc/89/89/02/906898902.db2.gz JOHBMBCIJPCTID-BXAYLQTHSA-N 0 1 297.355 0.973 20 5 CCBDMN CC(C)(C)CC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001297001538 906980202 /nfs/dbraw/zinc/98/02/02/906980202.db2.gz OECJWKFLZBDSMN-NXEZZACHSA-N 0 1 283.328 0.415 20 5 CCBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](O)C(F)F ZINC001306852696 908268273 /nfs/dbraw/zinc/26/82/73/908268273.db2.gz QVJZAQRPBWSJCW-FBCQKBJTSA-N 0 1 278.215 0.452 20 5 CCBDMN CCN1CC[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001307194099 908292690 /nfs/dbraw/zinc/29/26/90/908292690.db2.gz BZRKGFJAKKIXGR-ZETCQYMHSA-N 0 1 252.278 0.473 20 5 CCBDMN CC(C)c1noc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC001320358607 910627856 /nfs/dbraw/zinc/62/78/56/910627856.db2.gz CNZPMPPFQMSVEA-UHFFFAOYSA-N 0 1 294.271 0.797 20 5 CCBDMN O=C(N[C@@H](CO)Cc1ccncc1)c1n[nH]cc1[N+](=O)[O-] ZINC001321053883 911048165 /nfs/dbraw/zinc/04/81/65/911048165.db2.gz XABGAINTKZGZDY-SECBINFHSA-N 0 1 291.267 0.046 20 5 CCBDMN CC(C)(N)c1noc(Cn2cccc([N+](=O)[O-])c2=O)n1 ZINC001328182515 915019525 /nfs/dbraw/zinc/01/95/25/915019525.db2.gz ZVOUZFMHUDIYBQ-UHFFFAOYSA-N 0 1 279.256 0.382 20 5 CCBDMN C[C@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ncnn21 ZINC001328376319 915149246 /nfs/dbraw/zinc/14/92/46/915149246.db2.gz WGFPSODTTZCPLZ-WDSKDSINSA-N 0 1 277.244 0.345 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC001329385377 915861958 /nfs/dbraw/zinc/86/19/58/915861958.db2.gz ZRTIGLPYXFCBSX-MRVPVSSYSA-N 0 1 290.283 0.681 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1Cc1nc([C@H]2CCCN2)no1 ZINC001329415976 915896731 /nfs/dbraw/zinc/89/67/31/915896731.db2.gz YTTGRISBZLOXNC-MRVPVSSYSA-N 0 1 278.272 0.956 20 5 CCBDMN O=[N+]([O-])c1ncccc1CNC1(CO)CCOCC1 ZINC001332363971 918089366 /nfs/dbraw/zinc/08/93/66/918089366.db2.gz AWBOIIIOORYFAQ-UHFFFAOYSA-N 0 1 267.285 0.621 20 5 CCBDMN CCCC(=O)N(CC)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001492946024 918898534 /nfs/dbraw/zinc/89/85/34/918898534.db2.gz QMCKXKKTAJEJSY-GHMZBOCLSA-N 0 1 285.344 0.807 20 5 CCBDMN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCNC[C@@H]1CO ZINC001340845552 922239458 /nfs/dbraw/zinc/23/94/58/922239458.db2.gz HQCRPZLWZQRNJV-LLVKDONJSA-N 0 1 299.714 0.655 20 5 CCBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nnnn1C ZINC001347436455 924448880 /nfs/dbraw/zinc/44/88/80/924448880.db2.gz KZUZSQBNHWDUIS-LURJTMIESA-N 0 1 292.255 0.315 20 5 CCBDMN Cc1nc(NCCN2CC[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC001351365228 925408929 /nfs/dbraw/zinc/40/89/29/925408929.db2.gz SQGYKKUPNUGSOZ-SECBINFHSA-N 0 1 267.289 0.172 20 5 CCBDMN C[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001589355839 954141770 /nfs/dbraw/zinc/14/17/70/954141770.db2.gz VSKXGQVBJUGTBP-BDAKNGLRSA-N 0 1 268.273 0.791 20 5 CCBDMN C[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001589355839 954141781 /nfs/dbraw/zinc/14/17/81/954141781.db2.gz VSKXGQVBJUGTBP-BDAKNGLRSA-N 0 1 268.273 0.791 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCN(CCCF)CC2)c1 ZINC000599672773 361781224 /nfs/dbraw/zinc/78/12/24/361781224.db2.gz UZRWABVJVRDANZ-UHFFFAOYSA-N 0 1 285.323 0.769 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(C)C2)n1 ZINC000617405706 365628055 /nfs/dbraw/zinc/62/80/55/365628055.db2.gz UWFAZXJXZVCAHV-VIFPVBQESA-N 0 1 281.316 0.635 20 5 CCBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ncn[nH]1 ZINC000095040591 349583461 /nfs/dbraw/zinc/58/34/61/349583461.db2.gz LMHHBCQBNDHXMQ-UHFFFAOYSA-N 0 1 261.241 0.685 20 5 CCBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1nc[nH]n1 ZINC000095040591 349583464 /nfs/dbraw/zinc/58/34/64/349583464.db2.gz LMHHBCQBNDHXMQ-UHFFFAOYSA-N 0 1 261.241 0.685 20 5 CCBDMN O=C(NC[C@@H](O)[C@H]1CCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600242336 361902293 /nfs/dbraw/zinc/90/22/93/361902293.db2.gz PJPBZLGBSPMVOP-VXGBXAGGSA-N 0 1 296.279 0.570 20 5 CCBDMN C[C@H]1CNCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000126044734 187213598 /nfs/dbraw/zinc/21/35/98/187213598.db2.gz XZLXDBLJCDMGCT-JTQLQIEISA-N 0 1 263.297 0.958 20 5 CCBDMN Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])n2C)[nH]1 ZINC000112702855 282332448 /nfs/dbraw/zinc/33/24/48/282332448.db2.gz XMSUSLFSTGVEHO-UHFFFAOYSA-N 0 1 250.218 0.612 20 5 CCBDMN Cc1n[nH]c(NC(=O)c2ccc([N+](=O)[O-])n2C)n1 ZINC000112702855 282332450 /nfs/dbraw/zinc/33/24/50/282332450.db2.gz XMSUSLFSTGVEHO-UHFFFAOYSA-N 0 1 250.218 0.612 20 5 CCBDMN O=C(NC[C@H]1CCC[C@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000305706949 201775191 /nfs/dbraw/zinc/77/51/91/201775191.db2.gz FBUNDSQSJGDNFM-YUMQZZPRSA-N 0 1 268.273 0.599 20 5 CCBDMN C[C@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CNCCO1 ZINC000602440083 362618799 /nfs/dbraw/zinc/61/87/99/362618799.db2.gz NRGYUKPCRWVKBQ-CYBMUJFWSA-N 0 1 279.296 0.590 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](C)C[S@](C)=O ZINC000602808746 362810930 /nfs/dbraw/zinc/81/09/30/362810930.db2.gz ZFLHRVHATXFWQI-HOGDKLEQSA-N 0 1 288.373 0.799 20 5 CCBDMN Cn1cc(CN(CCO)C2CCOCC2)c([N+](=O)[O-])n1 ZINC000602812716 362814017 /nfs/dbraw/zinc/81/40/17/362814017.db2.gz CFZCDPARMXDSEO-UHFFFAOYSA-N 0 1 284.316 0.302 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)[C@H]2COC[C@H]2O)c1[N+](=O)[O-] ZINC000342395885 137091274 /nfs/dbraw/zinc/09/12/74/137091274.db2.gz FMLOKPDFMIGZGR-DTWKUNHWSA-N 0 1 298.299 0.102 20 5 CCBDMN CC[C@@H](C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC000343173948 137119127 /nfs/dbraw/zinc/11/91/27/137119127.db2.gz FFVHSHRCEBPMSN-SVRRBLITSA-N 0 1 284.272 0.635 20 5 CCBDMN COC[C@@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000263225888 137060960 /nfs/dbraw/zinc/06/09/60/137060960.db2.gz GMXKVODRPVJOFV-LLVKDONJSA-N 0 1 282.300 0.097 20 5 CCBDMN O=C(NCCN1CCSCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000343471803 137137134 /nfs/dbraw/zinc/13/71/34/137137134.db2.gz AOCOIQQSHVWWMG-UHFFFAOYSA-N 0 1 285.329 0.097 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344018021 137173669 /nfs/dbraw/zinc/17/36/69/137173669.db2.gz FLECJTDGMURSCA-QXEWZRGKSA-N 0 1 266.301 0.531 20 5 CCBDMN CC[C@@H](O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000344390568 137192265 /nfs/dbraw/zinc/19/22/65/137192265.db2.gz NBJSQAPVOAHWPI-SECBINFHSA-N 0 1 254.242 0.801 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000344421009 137193810 /nfs/dbraw/zinc/19/38/10/137193810.db2.gz KTDKOEDDSVVPTH-AOOOYVTPSA-N 0 1 296.331 0.127 20 5 CCBDMN CN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000003154079 347978001 /nfs/dbraw/zinc/97/80/01/347978001.db2.gz HGDIQCZKJBXKIK-CYBMUJFWSA-N 0 1 295.339 0.582 20 5 CCBDMN CC[C@@H](C[C@@H](C)CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345055003 137231047 /nfs/dbraw/zinc/23/10/47/137231047.db2.gz HHSAOYSWZCQHBJ-SFYZADRCSA-N 0 1 270.289 0.845 20 5 CCBDMN CC[C@@H](C[C@H](C)CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345055004 137231063 /nfs/dbraw/zinc/23/10/63/137231063.db2.gz HHSAOYSWZCQHBJ-YUMQZZPRSA-N 0 1 270.289 0.845 20 5 CCBDMN C[C@@H](CCO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000120346503 349982622 /nfs/dbraw/zinc/98/26/22/349982622.db2.gz VZCPYVALMQPFEQ-ZETCQYMHSA-N 0 1 292.288 0.783 20 5 CCBDMN Cc1nc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000041010747 348246134 /nfs/dbraw/zinc/24/61/34/348246134.db2.gz PVASPWXSZLRJLE-NSHDSACASA-N 0 1 297.340 0.707 20 5 CCBDMN Cc1nnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1C ZINC000346077373 137266111 /nfs/dbraw/zinc/26/61/11/137266111.db2.gz BPUBHBWRHYBQMJ-UHFFFAOYSA-N 0 1 277.240 0.990 20 5 CCBDMN CN(C)C(=O)CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963469 362910686 /nfs/dbraw/zinc/91/06/86/362910686.db2.gz VZSSLVXAOLTFHR-CQSZACIVSA-N 0 1 295.339 0.870 20 5 CCBDMN COC(=O)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@@H]1C ZINC000347219645 137325575 /nfs/dbraw/zinc/32/55/75/137325575.db2.gz IPUFHMJZGJMMCI-SFYZADRCSA-N 0 1 296.283 0.650 20 5 CCBDMN CCCN(CCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000048347055 348405631 /nfs/dbraw/zinc/40/56/31/348405631.db2.gz JZWKOEFMDFKIBN-UHFFFAOYSA-N 0 1 281.312 0.898 20 5 CCBDMN O=[N+]([O-])c1cccc2ncnc(NCCc3nc[nH]n3)c21 ZINC000347402156 137334477 /nfs/dbraw/zinc/33/44/77/137334477.db2.gz DZABTSMMBOWQNU-UHFFFAOYSA-N 0 1 285.267 0.733 20 5 CCBDMN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)N1C ZINC000339616221 215271083 /nfs/dbraw/zinc/27/10/83/215271083.db2.gz ZDYCGLYHDWIXBQ-NXEZZACHSA-N 0 1 267.333 0.853 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000089407840 349384412 /nfs/dbraw/zinc/38/44/12/349384412.db2.gz PNONXSNINMQGDB-POYBYMJQSA-N 0 1 268.273 0.469 20 5 CCBDMN O=C(NCCc1cccc(O)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000125861846 350132759 /nfs/dbraw/zinc/13/27/59/350132759.db2.gz PJEAVTIYWJTISC-UHFFFAOYSA-N 0 1 276.252 0.996 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000351848077 137453189 /nfs/dbraw/zinc/45/31/89/137453189.db2.gz AOVWCBDEODUZCH-CAHLUQPWSA-N 0 1 254.246 0.079 20 5 CCBDMN CC[N@H+](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000130787158 350248741 /nfs/dbraw/zinc/24/87/41/350248741.db2.gz VBNRYEKURNILCP-UHFFFAOYSA-N 0 1 267.289 0.532 20 5 CCBDMN O=C(NCCc1nc[nH]n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135016728 350382434 /nfs/dbraw/zinc/38/24/34/350382434.db2.gz AKHPCKHXSRSFLF-UHFFFAOYSA-N 0 1 279.231 0.825 20 5 CCBDMN C[N@@H+]1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000618359533 366001722 /nfs/dbraw/zinc/00/17/22/366001722.db2.gz DLVNTPUWHHSUOY-VIFPVBQESA-N 0 1 280.284 0.519 20 5 CCBDMN C[N@H+]1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000618359533 366001728 /nfs/dbraw/zinc/00/17/28/366001728.db2.gz DLVNTPUWHHSUOY-VIFPVBQESA-N 0 1 280.284 0.519 20 5 CCBDMN Nc1cc(N)nc(SCCn2ccc([N+](=O)[O-])n2)n1 ZINC000178469041 351232682 /nfs/dbraw/zinc/23/26/82/351232682.db2.gz UTGRPQWZHPERGN-UHFFFAOYSA-N 0 1 281.301 0.538 20 5 CCBDMN CO[C@H]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000188300240 351585638 /nfs/dbraw/zinc/58/56/38/351585638.db2.gz ODKNBESNGBZCCT-RQJHMYQMSA-N 0 1 254.246 0.615 20 5 CCBDMN C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN1 ZINC000188415969 351594549 /nfs/dbraw/zinc/59/45/49/351594549.db2.gz CYVSHSBIXZNLQI-MRVPVSSYSA-N 0 1 289.295 0.905 20 5 CCBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1nnc[nH]1 ZINC000225049249 351999344 /nfs/dbraw/zinc/99/93/44/351999344.db2.gz KKFQCIHNNBQWKE-LURJTMIESA-N 0 1 264.245 0.542 20 5 CCBDMN Cc1nc(CCNc2c([N+](=O)[O-])ncn2C)n[nH]1 ZINC000267524315 352772528 /nfs/dbraw/zinc/77/25/28/352772528.db2.gz RDUWCARDKIMECK-UHFFFAOYSA-N 0 1 251.250 0.409 20 5 CCBDMN Cc1nnc(CCNc2c([N+](=O)[O-])ncn2C)[nH]1 ZINC000267524315 352772531 /nfs/dbraw/zinc/77/25/31/352772531.db2.gz RDUWCARDKIMECK-UHFFFAOYSA-N 0 1 251.250 0.409 20 5 CCBDMN C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000272408283 353060801 /nfs/dbraw/zinc/06/08/01/353060801.db2.gz YOJGTVKRRJWDIM-VIFPVBQESA-N 0 1 279.296 0.982 20 5 CCBDMN CC[N@@H+](CCO)CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274599816 353144997 /nfs/dbraw/zinc/14/49/97/353144997.db2.gz WTNLYFNXPGZCHA-UHFFFAOYSA-N 0 1 297.311 0.344 20 5 CCBDMN CO[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276985136 353215543 /nfs/dbraw/zinc/21/55/43/353215543.db2.gz ZWKGJWUTXXQHIJ-MCIONIFRSA-N 0 1 296.323 0.974 20 5 CCBDMN C[N@H+](CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000277609395 353253911 /nfs/dbraw/zinc/25/39/11/353253911.db2.gz ASHHNZNHASGJEH-UHFFFAOYSA-N 0 1 280.284 0.519 20 5 CCBDMN C[N@@H+](CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000277609395 353253912 /nfs/dbraw/zinc/25/39/12/353253912.db2.gz ASHHNZNHASGJEH-UHFFFAOYSA-N 0 1 280.284 0.519 20 5 CCBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cc([N+](=O)[O-])n[nH]1 ZINC000286792406 353610156 /nfs/dbraw/zinc/61/01/56/353610156.db2.gz PXCDIYMDOPRMTF-ZETCQYMHSA-N 0 1 276.256 0.848 20 5 CCBDMN CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000290762685 353748027 /nfs/dbraw/zinc/74/80/27/353748027.db2.gz KJLUOUIFIXDBOY-VIFPVBQESA-N 0 1 293.327 0.619 20 5 CCBDMN COCC(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000293640569 353826072 /nfs/dbraw/zinc/82/60/72/353826072.db2.gz GDADGSFXCHXWIF-UHFFFAOYSA-N 0 1 256.262 0.720 20 5 CCBDMN CNC(=O)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000299278011 354005424 /nfs/dbraw/zinc/00/54/24/354005424.db2.gz LJHLGFXLBSWVQZ-UHFFFAOYSA-N 0 1 291.267 0.337 20 5 CCBDMN C[C@H](CO)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000305266429 354143435 /nfs/dbraw/zinc/14/34/35/354143435.db2.gz QSUHYMRIGNDBIH-SSDOTTSWSA-N 0 1 278.268 0.924 20 5 CCBDMN C[C@@H]1N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1(C)C ZINC000331056518 354431619 /nfs/dbraw/zinc/43/16/19/354431619.db2.gz PYGKJCXNONHITK-JQWIXIFHSA-N 0 1 298.343 0.652 20 5 CCBDMN C[C@H]1[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345332485 355800844 /nfs/dbraw/zinc/80/08/44/355800844.db2.gz YHFYZECTGORGPY-JGVFFNPUSA-N 0 1 267.289 0.530 20 5 CCBDMN C[C@H]1[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCCN1C ZINC000345332485 355800849 /nfs/dbraw/zinc/80/08/49/355800849.db2.gz YHFYZECTGORGPY-JGVFFNPUSA-N 0 1 267.289 0.530 20 5 CCBDMN C[C@@H](O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272643542 191841869 /nfs/dbraw/zinc/84/18/69/191841869.db2.gz DWMXGQFGVPWVSA-SSDOTTSWSA-N 0 1 254.242 0.801 20 5 CCBDMN O=C(Nc1ccc2[nH]nnc2c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000353587771 356254679 /nfs/dbraw/zinc/25/46/79/356254679.db2.gz IHXTZCKQGPFTMC-UHFFFAOYSA-N 0 1 273.212 0.842 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)CC(=O)NCC)c1[N+](=O)[O-] ZINC000609476712 363497997 /nfs/dbraw/zinc/49/79/97/363497997.db2.gz YECKWXDLJMUHRS-UHFFFAOYSA-N 0 1 297.315 0.479 20 5 CCBDMN CCOc1ccc(C(=O)NCc2nn[nH]n2)cc1[N+](=O)[O-] ZINC000609493525 363499845 /nfs/dbraw/zinc/49/98/45/363499845.db2.gz KHTQFPKVHMCMET-UHFFFAOYSA-N 0 1 292.255 0.437 20 5 CCBDMN O=C(NC1(c2nn[n-]n2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000560665959 291110908 /nfs/dbraw/zinc/11/09/08/291110908.db2.gz CFBBGJPAEIVIJN-UHFFFAOYSA-N 0 1 290.239 0.233 20 5 CCBDMN CCc1n[nH]c(C(=O)NCc2cc(C)[nH]n2)c1[N+](=O)[O-] ZINC000609599883 363509109 /nfs/dbraw/zinc/50/91/09/363509109.db2.gz OXNGEGVAHUWXBR-UHFFFAOYSA-N 0 1 278.272 0.842 20 5 CCBDMN CCN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000610336476 363552037 /nfs/dbraw/zinc/55/20/37/363552037.db2.gz OKYOCXMRZNBYQL-DGCLKSJQSA-N 0 1 297.359 0.178 20 5 CCBDMN O=C(NCc1nnc[nH]1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356346276 356749774 /nfs/dbraw/zinc/74/97/74/356749774.db2.gz RSYLOUBCWVYYHA-UHFFFAOYSA-N 0 1 263.213 0.349 20 5 CCBDMN O=C(NCc1nc[nH]n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356346276 356749776 /nfs/dbraw/zinc/74/97/76/356749776.db2.gz RSYLOUBCWVYYHA-UHFFFAOYSA-N 0 1 263.213 0.349 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(OCCOC)C2)c1[N+](=O)[O-] ZINC000359507967 356835276 /nfs/dbraw/zinc/83/52/76/356835276.db2.gz YNCRURZUQFGOAJ-UHFFFAOYSA-N 0 1 298.299 0.368 20 5 CCBDMN C[C@H]1CN(CCO)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450956275 236125324 /nfs/dbraw/zinc/12/53/24/236125324.db2.gz RPMKYISPIZYQML-JTQLQIEISA-N 0 1 266.301 0.493 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CCN(C2CCOCC2)CC1 ZINC000408060972 357895422 /nfs/dbraw/zinc/89/54/22/357895422.db2.gz HOICJLHZTKLSMY-UHFFFAOYSA-N 0 1 295.343 0.629 20 5 CCBDMN CO[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000456378432 236382691 /nfs/dbraw/zinc/38/26/91/236382691.db2.gz SMKRXPYZXDFPHX-GHMZBOCLSA-N 0 1 282.252 0.132 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)CCNC(C)=O)c1[N+](=O)[O-] ZINC000570164145 358829522 /nfs/dbraw/zinc/82/95/22/358829522.db2.gz ADVVRLXPRKALLO-UHFFFAOYSA-N 0 1 297.315 0.479 20 5 CCBDMN O=C(NCC1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000570210516 358832990 /nfs/dbraw/zinc/83/29/90/358832990.db2.gz GXHGVGJMBCOUIM-UHFFFAOYSA-N 0 1 280.284 0.425 20 5 CCBDMN Cc1nc(CSc2ncc([N+](=O)[O-])c(N)n2)n[nH]1 ZINC000573743589 358997324 /nfs/dbraw/zinc/99/73/24/358997324.db2.gz OTENGSOVHUEINZ-UHFFFAOYSA-N 0 1 267.274 0.516 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)C1 ZINC000582370731 359141315 /nfs/dbraw/zinc/14/13/15/359141315.db2.gz YIGTYJGHSMQOJL-AOOOYVTPSA-N 0 1 295.343 0.883 20 5 CCBDMN CC(C)(C(=O)NCc1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000590240144 359432524 /nfs/dbraw/zinc/43/25/24/359432524.db2.gz SPXUWJAEHAITMB-UHFFFAOYSA-N 0 1 290.283 0.702 20 5 CCBDMN O=C(NC[C@H]1CCCNC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000591056347 359550500 /nfs/dbraw/zinc/55/05/00/359550500.db2.gz VIOHQAWIZUBNNN-MRVPVSSYSA-N 0 1 293.279 0.556 20 5 CCBDMN C[C@H]1C(=O)N(C)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000592190723 359780960 /nfs/dbraw/zinc/78/09/60/359780960.db2.gz PSWYELNFMBNRQJ-QMMMGPOBSA-N 0 1 265.269 0.920 20 5 CCBDMN Cc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])ncn1 ZINC000611216895 363684956 /nfs/dbraw/zinc/68/49/56/363684956.db2.gz LAPMXQDWJWYVIM-UHFFFAOYSA-N 0 1 262.229 0.346 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CN(C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592901791 359973148 /nfs/dbraw/zinc/97/31/48/359973148.db2.gz OIHOYRGTDJFIDG-SSDOTTSWSA-N 0 1 295.299 0.531 20 5 CCBDMN CC(C)n1cnc(=NC(=O)c2n[nH]cc2[N+](=O)[O-])[nH]1 ZINC000593784401 360151318 /nfs/dbraw/zinc/15/13/18/360151318.db2.gz PZVGKGQYMNSRSC-UHFFFAOYSA-N 0 1 265.233 0.165 20 5 CCBDMN CC(C)Oc1nc(NCc2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000594550343 360328932 /nfs/dbraw/zinc/32/89/32/360328932.db2.gz BTGBVTHYEQEXGB-UHFFFAOYSA-N 0 1 279.260 0.324 20 5 CCBDMN CC1(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])COC1 ZINC000594755882 360377164 /nfs/dbraw/zinc/37/71/64/360377164.db2.gz WGCUNNMTZCEXDI-UHFFFAOYSA-N 0 1 287.297 0.305 20 5 CCBDMN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1c[nH]nn1 ZINC000611528608 363735069 /nfs/dbraw/zinc/73/50/69/363735069.db2.gz NRBIQXIYGQIQKN-UHFFFAOYSA-N 0 1 262.229 0.225 20 5 CCBDMN CN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CCC1=O ZINC000595775063 360650499 /nfs/dbraw/zinc/65/04/99/360650499.db2.gz ZXYJBCSTMDBLJB-UHFFFAOYSA-N 0 1 279.296 0.965 20 5 CCBDMN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccn1C ZINC000596069121 360787603 /nfs/dbraw/zinc/78/76/03/360787603.db2.gz KFWKRECPOPSMIU-ONGXEEELSA-N 0 1 294.315 0.237 20 5 CCBDMN Cc1nc(CC(=O)NCCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000597449420 361098892 /nfs/dbraw/zinc/09/88/92/361098892.db2.gz KENDLLHTUUKSCS-UHFFFAOYSA-N 0 1 289.295 0.923 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C2(CO)CC2)c1[N+](=O)[O-] ZINC000597641736 361170253 /nfs/dbraw/zinc/17/02/53/361170253.db2.gz JPFPTIPGKUTEGO-UHFFFAOYSA-N 0 1 268.273 0.477 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000598162955 361346986 /nfs/dbraw/zinc/34/69/86/361346986.db2.gz LMJPFBKHLOPBQK-UHFFFAOYSA-N 0 1 266.301 0.567 20 5 CCBDMN CC/C=C\CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599316802 361650073 /nfs/dbraw/zinc/65/00/73/361650073.db2.gz MZSKPDMAWOVSNO-PLNGDYQASA-N 0 1 274.302 0.573 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@]23C[C@@H]2CCC3)n1 ZINC000599339039 361659733 /nfs/dbraw/zinc/65/97/33/361659733.db2.gz ZNZYNADOQIHOOZ-XVKPBYJWSA-N 0 1 286.313 0.549 20 5 CCBDMN NC(=O)C1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1 ZINC000614003721 364458033 /nfs/dbraw/zinc/45/80/33/364458033.db2.gz IJLCPTSAINIAOK-UHFFFAOYSA-N 0 1 279.252 0.438 20 5 CCBDMN CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)[O-] ZINC000565106643 291345278 /nfs/dbraw/zinc/34/52/78/291345278.db2.gz LIOVVVXGRUEDSH-UHFFFAOYSA-N 0 1 256.262 0.586 20 5 CCBDMN NC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000456896228 249037342 /nfs/dbraw/zinc/03/73/42/249037342.db2.gz ZMZMVTYXVZFQMR-APPZFPTMSA-N 0 1 293.279 0.684 20 5 CCBDMN Cc1cc(OCC(=O)NCc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000280876868 195011744 /nfs/dbraw/zinc/01/17/44/195011744.db2.gz UBIJBLYVLLUEQD-UHFFFAOYSA-N 0 1 291.267 0.717 20 5 CCBDMN CCN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000288619122 197128110 /nfs/dbraw/zinc/12/81/10/197128110.db2.gz XQAXOKYWBYBUIK-SNVBAGLBSA-N 0 1 281.316 0.344 20 5 CCBDMN CC[N@@H+](CCO)CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183939962 388765760 /nfs/dbraw/zinc/76/57/60/388765760.db2.gz KVKGJHLQOVQBLY-UHFFFAOYSA-N 0 1 297.311 0.344 20 5 CCBDMN CN1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000055420295 388931259 /nfs/dbraw/zinc/93/12/59/388931259.db2.gz PNVSHGWUFBXJAY-UHFFFAOYSA-N 0 1 278.312 0.955 20 5 CCBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)N1 ZINC000070076246 388953284 /nfs/dbraw/zinc/95/32/84/388953284.db2.gz GJVBJJLRLKLXAN-OCAPTIKFSA-N 0 1 252.274 0.745 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H](C)N1 ZINC000070076030 388953446 /nfs/dbraw/zinc/95/34/46/388953446.db2.gz XLRFRKLFJODRMQ-IUCAKERBSA-N 0 1 266.301 0.756 20 5 CCBDMN C[C@@H]1[C@H](C)N(C)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357479009 389135866 /nfs/dbraw/zinc/13/58/66/389135866.db2.gz NTVIKUDLBMPZTQ-DTWKUNHWSA-N 0 1 293.327 0.618 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000264310253 389320446 /nfs/dbraw/zinc/32/04/46/389320446.db2.gz CJTIMHLOIDAEQE-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000264325185 389320791 /nfs/dbraw/zinc/32/07/91/389320791.db2.gz ILTWHLDYVRVATF-UHFFFAOYSA-N 0 1 290.283 0.576 20 5 CCBDMN C[C@H]1[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CCCN1C ZINC000345312968 389302778 /nfs/dbraw/zinc/30/27/78/389302778.db2.gz GDHBFWFDHJGCKT-IUCAKERBSA-N 0 1 281.316 0.541 20 5 CCBDMN C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000170980755 389470089 /nfs/dbraw/zinc/47/00/89/389470089.db2.gz KIMPARHWCRLSLK-JTQLQIEISA-N 0 1 281.316 0.249 20 5 CCBDMN CC1(C)SC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000276447681 389516590 /nfs/dbraw/zinc/51/65/90/389516590.db2.gz BJBLOFZQYCRDSV-ZCFIWIBFSA-N 0 1 256.287 0.942 20 5 CCBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nnc[nH]1 ZINC000174821734 389530355 /nfs/dbraw/zinc/53/03/55/389530355.db2.gz NMMHDGKKZGEMPY-UHFFFAOYSA-N 0 1 290.283 0.783 20 5 CCBDMN O=C(N[C@@H]1CCCc2c[nH]nc21)[C@@H]1CC1[N+](=O)[O-] ZINC000374459476 389582024 /nfs/dbraw/zinc/58/20/24/389582024.db2.gz DIRSDUOTMHRJAK-IWSPIJDZSA-N 0 1 250.258 0.569 20 5 CCBDMN Cc1noc(C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000374770772 389606999 /nfs/dbraw/zinc/60/69/99/389606999.db2.gz HZUIAWAZTAEKTN-NXEZZACHSA-N 0 1 294.311 0.923 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)Cc2cc[nH]n2)c1[N+](=O)[O-] ZINC000351745948 389671722 /nfs/dbraw/zinc/67/17/22/389671722.db2.gz DAWACPREPZJSHM-UHFFFAOYSA-N 0 1 264.245 0.622 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCN(C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000354008530 389857574 /nfs/dbraw/zinc/85/75/74/389857574.db2.gz SRSQFCMKCUBOLR-MRVPVSSYSA-N 0 1 281.316 0.793 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCN(C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000354008530 389857578 /nfs/dbraw/zinc/85/75/78/389857578.db2.gz SRSQFCMKCUBOLR-MRVPVSSYSA-N 0 1 281.316 0.793 20 5 CCBDMN Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c(=O)[nH]1 ZINC000541746292 390246198 /nfs/dbraw/zinc/24/61/98/390246198.db2.gz MYUMVGRFDMISLR-UHFFFAOYSA-N 0 1 263.213 0.979 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)N[C@H](C)C2)n1 ZINC000582235950 390270896 /nfs/dbraw/zinc/27/08/96/390270896.db2.gz GKTCSPIYVAASHX-RKDXNWHRSA-N 0 1 281.316 0.634 20 5 CCBDMN C[C@@H]1C(=O)N(C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000592902827 390365408 /nfs/dbraw/zinc/36/54/08/390365408.db2.gz SJAKFTVWQCPZOQ-SSDOTTSWSA-N 0 1 279.252 0.561 20 5 CCBDMN COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000497049329 390408643 /nfs/dbraw/zinc/40/86/43/390408643.db2.gz XOIJNJJVVSSXJF-GWOFURMSSA-N 0 1 299.327 0.635 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000566739150 390643239 /nfs/dbraw/zinc/64/32/39/390643239.db2.gz QNEVTPGRTPZQCW-AOOOYVTPSA-N 0 1 278.312 0.900 20 5 CCBDMN Cc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])no1 ZINC000534266533 390889887 /nfs/dbraw/zinc/88/98/87/390889887.db2.gz SINVKNHZHZDGPA-UHFFFAOYSA-N 0 1 251.202 0.544 20 5 CCBDMN CO[C@@H]1COC[C@H]1[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000578624036 390895005 /nfs/dbraw/zinc/89/50/05/390895005.db2.gz WDOQXPJXQOMMJL-ZYHUDNBSSA-N 0 1 268.269 0.804 20 5 CCBDMN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCNCC1 ZINC000237882047 131063460 /nfs/dbraw/zinc/06/34/60/131063460.db2.gz CKTDHNNQDFHJML-UHFFFAOYSA-N 0 1 275.268 0.517 20 5 CCBDMN COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000263737742 131319308 /nfs/dbraw/zinc/31/93/08/131319308.db2.gz IBLGPQBSFZVLAN-UHFFFAOYSA-N 0 1 298.299 0.003 20 5 CCBDMN COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000263737742 131319310 /nfs/dbraw/zinc/31/93/10/131319310.db2.gz IBLGPQBSFZVLAN-UHFFFAOYSA-N 0 1 298.299 0.003 20 5 CCBDMN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCN(C)CC1 ZINC000263819462 131338367 /nfs/dbraw/zinc/33/83/67/131338367.db2.gz ZGFKRXWHSDMEPX-JTQLQIEISA-N 0 1 296.327 0.554 20 5 CCBDMN C[C@@H](CNc1c([N+](=O)[O-])ncn1C)N1CCN(C)CC1 ZINC000263924249 131361877 /nfs/dbraw/zinc/36/18/77/131361877.db2.gz QLSWFKVGIKOLOX-JTQLQIEISA-N 0 1 282.348 0.376 20 5 CCBDMN Cc1noc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000356354776 143995334 /nfs/dbraw/zinc/99/53/34/143995334.db2.gz XOWPFYSPFQSJNY-UHFFFAOYSA-N 0 1 278.224 0.922 20 5 CCBDMN O=C(NC[C@@H](O)C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356633728 144021478 /nfs/dbraw/zinc/02/14/78/144021478.db2.gz KJQDEBMZVJVMTD-MRVPVSSYSA-N 0 1 294.185 0.953 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@](CO)(c2ccccc2)C1 ZINC000368288496 144215567 /nfs/dbraw/zinc/21/55/67/144215567.db2.gz OSISJRZFWJGVGG-NFAWXSAZSA-N 0 1 290.319 0.814 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](c2ncc[nH]2)C1 ZINC000368929337 144250027 /nfs/dbraw/zinc/25/00/27/144250027.db2.gz BKFJQPDWHGVOPG-IVZWLZJFSA-N 0 1 264.285 0.781 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(n2ccnn2)CC1 ZINC000371269818 144324880 /nfs/dbraw/zinc/32/48/80/144324880.db2.gz WFNOSPQRWMZZBQ-NXEZZACHSA-N 0 1 265.273 0.107 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H](O)C2(CC2)C1 ZINC000548323420 286026847 /nfs/dbraw/zinc/02/68/47/286026847.db2.gz XBGAZWXXTFNESZ-LLVKDONJSA-N 0 1 278.264 0.897 20 5 CCBDMN O=c1nc([C@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)[nH][nH]1 ZINC000285514380 196310573 /nfs/dbraw/zinc/31/05/73/196310573.db2.gz GEFQDJAMWKVPDO-LURJTMIESA-N 0 1 296.312 0.847 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000078006859 177317438 /nfs/dbraw/zinc/31/74/38/177317438.db2.gz JOUBWZIYCWFGTK-UHFFFAOYSA-N 0 1 291.267 0.750 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000351885258 278001680 /nfs/dbraw/zinc/00/16/80/278001680.db2.gz BDSJFTFPZMQXDC-YUMQZZPRSA-N 0 1 282.300 0.894 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCN3C(=O)CC[C@H]3C2)c1[N+](=O)[O-] ZINC000408046690 280188268 /nfs/dbraw/zinc/18/82/68/280188268.db2.gz XTIUQABLJBIMQK-QMMMGPOBSA-N 0 1 293.283 0.073 20 5 CCBDMN C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000358068908 290183702 /nfs/dbraw/zinc/18/37/02/290183702.db2.gz RPMUXZQNLBMCCW-CYBMUJFWSA-N 0 1 295.295 0.097 20 5 CCBDMN C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000577176020 335316294 /nfs/dbraw/zinc/31/62/94/335316294.db2.gz ACJDDNMEKGYKMP-BDAKNGLRSA-N 0 1 294.311 0.895 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@]2(C)CO)c1[N+](=O)[O-] ZINC000581923173 336168039 /nfs/dbraw/zinc/16/80/39/336168039.db2.gz TYSKCLKHOJOWJJ-GFCCVEGCSA-N 0 1 282.300 0.867 20 5 CCBDMN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000182447397 521039153 /nfs/dbraw/zinc/03/91/53/521039153.db2.gz OGYWLAUYBARDLS-NKWVEPMBSA-N 0 1 284.272 0.635 20 5 CCBDMN CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)[O-] ZINC000184909016 521674691 /nfs/dbraw/zinc/67/46/91/521674691.db2.gz URXKEBHIORZAID-UHFFFAOYSA-N 0 1 256.262 0.588 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2COC[C@@H]2O)c1[N+](=O)[O-] ZINC000342440211 535321155 /nfs/dbraw/zinc/32/11/55/535321155.db2.gz OTWGYBGTJQYXJX-SFYZADRCSA-N 0 1 298.299 0.273 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000357624136 535969751 /nfs/dbraw/zinc/96/97/51/535969751.db2.gz IBSAHULWDFFWHS-WDEREUQCSA-N 0 1 295.343 0.639 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](O)C[C@H]2C)c1[N+](=O)[O-] ZINC000346715699 536001521 /nfs/dbraw/zinc/00/15/21/536001521.db2.gz NLVUPJBBSCDMGC-HTQZYQBOSA-N 0 1 282.300 0.866 20 5 CCBDMN COc1cc(CN[C@@H](C)CC(N)=O)c([N+](=O)[O-])cc1OC ZINC000344837419 536804085 /nfs/dbraw/zinc/80/40/85/536804085.db2.gz LMMXBYPIWSZDTI-QMMMGPOBSA-N 0 1 297.311 0.966 20 5 CCBDMN O=C(NOC[C@@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC000788570045 581117046 /nfs/dbraw/zinc/11/70/46/581117046.db2.gz KJTYHSDTGKJEMS-ZCFIWIBFSA-N 0 1 256.218 0.016 20 5 CCBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCc3n[nH]nc3C2)c1 ZINC000788469009 581113009 /nfs/dbraw/zinc/11/30/09/581113009.db2.gz NACAPFWPMCSIMV-ZDUSSCGKSA-N 0 1 289.295 0.805 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782613363 581313774 /nfs/dbraw/zinc/31/37/74/581313774.db2.gz DPZWGECTJFOOMX-IACUBPJLSA-N 0 1 278.308 0.942 20 5 CCBDMN CC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])OCCCO1 ZINC000754452063 581592658 /nfs/dbraw/zinc/59/26/58/581592658.db2.gz OTAZMOQJIPVGSB-UHFFFAOYSA-N 0 1 270.245 0.201 20 5 CCBDMN Cc1cc(C(=O)NCCc2nc[nH]n2)c(N)c([N+](=O)[O-])c1 ZINC000747989860 581958710 /nfs/dbraw/zinc/95/87/10/581958710.db2.gz LMICPGIPWWGIPF-UHFFFAOYSA-N 0 1 290.283 0.576 20 5 CCBDMN O=C(NC[C@@H](O)c1ccco1)c1n[nH]cc1[N+](=O)[O-] ZINC000763277388 581994486 /nfs/dbraw/zinc/99/44/86/581994486.db2.gz SSSSGNAUNHJSJU-SSDOTTSWSA-N 0 1 266.213 0.374 20 5 CCBDMN O=C([O-])[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000062133982 597534904 /nfs/dbraw/zinc/53/49/04/597534904.db2.gz NQFCJADOLCQMON-VIFPVBQESA-N 0 1 293.279 0.940 20 5 CCBDMN O=C([O-])[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000062133982 597534905 /nfs/dbraw/zinc/53/49/05/597534905.db2.gz NQFCJADOLCQMON-VIFPVBQESA-N 0 1 293.279 0.940 20 5 CCBDMN O=C([O-])[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000819240096 601375801 /nfs/dbraw/zinc/37/58/01/601375801.db2.gz XUQVEJDILSUCRN-QMMMGPOBSA-N 0 1 254.246 0.340 20 5 CCBDMN C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1NC(=O)[O-] ZINC000826059091 603996351 /nfs/dbraw/zinc/99/63/51/603996351.db2.gz RRRBTJJZQSXPCR-ONGXEEELSA-N 0 1 297.315 0.769 20 5 CCBDMN O=C([O-])C[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000833212123 604983192 /nfs/dbraw/zinc/98/31/92/604983192.db2.gz TTXOSJLQOWIJBS-MRVPVSSYSA-N 0 1 254.246 0.688 20 5 CCBDMN O=C([O-])C[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000833212123 604983195 /nfs/dbraw/zinc/98/31/95/604983195.db2.gz TTXOSJLQOWIJBS-MRVPVSSYSA-N 0 1 254.246 0.688 20 5 CCBDMN COc1ccccc1C[C@](C)(CO)NCC[N+](=O)[O-] ZINC000931601453 617315819 /nfs/dbraw/zinc/31/58/19/617315819.db2.gz PDUWDNOAOJEYJV-CYBMUJFWSA-N 0 1 268.313 0.855 20 5 CCBDMN CC(C)(C)N1CC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000897066394 613932333 /nfs/dbraw/zinc/93/23/33/613932333.db2.gz SHUJVUXJTOKTGX-LLVKDONJSA-N 0 1 295.343 0.780 20 5 CCBDMN CC(C)(C)n1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC000847971687 614061426 /nfs/dbraw/zinc/06/14/26/614061426.db2.gz CVFPYAQHPDYTNO-RKDXNWHRSA-N 0 1 268.273 0.742 20 5 CCBDMN CC(C)Cn1ncnc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673141 614246255 /nfs/dbraw/zinc/24/62/55/614246255.db2.gz IDBFFAVMTVVONW-RKDXNWHRSA-N 0 1 268.273 0.643 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC[N@@H+]3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000597707550 614297298 /nfs/dbraw/zinc/29/72/98/614297298.db2.gz DUYHQIYXVKBRDI-VIFPVBQESA-N 0 1 293.327 0.971 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC[N@H+]3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000597707550 614297300 /nfs/dbraw/zinc/29/73/00/614297300.db2.gz DUYHQIYXVKBRDI-VIFPVBQESA-N 0 1 293.327 0.971 20 5 CCBDMN CC(C)n1ncnc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000861449156 614373577 /nfs/dbraw/zinc/37/35/77/614373577.db2.gz NFHBLVNHHGWLQM-HTQZYQBOSA-N 0 1 253.262 0.140 20 5 CCBDMN CCN(C)C(=O)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000218091241 614838898 /nfs/dbraw/zinc/83/88/98/614838898.db2.gz LQVQKHFXCHUCKA-LBPRGKRZSA-N 0 1 281.312 0.696 20 5 CCBDMN CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840313905 614846304 /nfs/dbraw/zinc/84/63/04/614846304.db2.gz YPLQSYDMUCTFDY-HLTSFMKQSA-N 0 1 287.341 0.031 20 5 CCBDMN CCN(OC)C(=O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000844067816 615074921 /nfs/dbraw/zinc/07/49/21/615074921.db2.gz UIWFWZVFVHGGIA-UHFFFAOYSA-N 0 1 297.267 0.440 20 5 CCBDMN CCOC(=O)[C@@H](C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000874734001 615260797 /nfs/dbraw/zinc/26/07/97/615260797.db2.gz YTNUWOBXKKYJLM-FXBDTBDDSA-N 0 1 270.285 0.309 20 5 CCBDMN CCOC(=O)[C@@H](C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840437272 615262773 /nfs/dbraw/zinc/26/27/73/615262773.db2.gz UECIPWLEHKBSPQ-SZEHBUNVSA-N 0 1 270.285 0.594 20 5 CCBDMN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839475810 615285865 /nfs/dbraw/zinc/28/58/65/615285865.db2.gz AWGDBSHQGRYZTF-OPRDCNLKSA-N 0 1 270.285 0.453 20 5 CCBDMN CCN1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000883152715 615324635 /nfs/dbraw/zinc/32/46/35/615324635.db2.gz FIVJIFCGAOYNQY-VIFPVBQESA-N 0 1 266.301 0.757 20 5 CCBDMN CCc1cnc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000839692833 615707143 /nfs/dbraw/zinc/70/71/43/615707143.db2.gz XPQBKDCYOCGPIY-HTQZYQBOSA-N 0 1 255.299 0.987 20 5 CCBDMN CN(C)Cc1csc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000927764490 615958778 /nfs/dbraw/zinc/95/87/78/615958778.db2.gz DVPCFLUOXRFEDO-RKDXNWHRSA-N 0 1 284.341 0.486 20 5 CCBDMN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000852497182 616133109 /nfs/dbraw/zinc/13/31/09/616133109.db2.gz VZJOXVBWOZXYFK-ZIAGYGMSSA-N 0 1 296.323 0.975 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)n1 ZINC000874833264 616216262 /nfs/dbraw/zinc/21/62/62/616216262.db2.gz LLLRCSGEKDBCPC-UWVGGRQHSA-N 0 1 293.327 0.637 20 5 CCBDMN C[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000928554389 616429509 /nfs/dbraw/zinc/42/95/09/616429509.db2.gz JHOKGDZHPYOOJL-VIFPVBQESA-N 0 1 265.269 0.734 20 5 CCBDMN C[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000928554389 616429510 /nfs/dbraw/zinc/42/95/10/616429510.db2.gz JHOKGDZHPYOOJL-VIFPVBQESA-N 0 1 265.269 0.734 20 5 CCBDMN CN1CCc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1=O ZINC000839704510 616462410 /nfs/dbraw/zinc/46/24/10/616462410.db2.gz TUCISRYLXQKIGR-VXGBXAGGSA-N 0 1 289.291 0.918 20 5 CCBDMN CN1Cc2cc(OC(=O)[C@@H]3CC3[N+](=O)[O-])ccc2C1=O ZINC000841166021 616514770 /nfs/dbraw/zinc/51/47/70/616514770.db2.gz JFPQDMDSTBYZAJ-GHMZBOCLSA-N 0 1 276.248 0.843 20 5 CCBDMN CN1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000826690849 616519485 /nfs/dbraw/zinc/51/94/85/616519485.db2.gz VMHZHPHNWRWZDJ-JHJVBQTASA-N 0 1 275.308 0.955 20 5 CCBDMN COC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000894822899 616709790 /nfs/dbraw/zinc/70/97/90/616709790.db2.gz WNYGTGRXYIIGNK-CHWFTXMASA-N 0 1 272.301 0.209 20 5 CCBDMN COC(=O)C[C@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000871238651 616713426 /nfs/dbraw/zinc/71/34/26/616713426.db2.gz QKTPGPKOBFNEIP-LNLATYFQSA-N 0 1 270.285 0.500 20 5 CCBDMN CO[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C12CCC2 ZINC000839798188 616871064 /nfs/dbraw/zinc/87/10/64/616871064.db2.gz KLEKZQGNAAWBQY-DOLQZWNJSA-N 0 1 254.286 0.725 20 5 CCBDMN COC(=O)[C@@H](CC1CC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839813848 616956422 /nfs/dbraw/zinc/95/64/22/616956422.db2.gz BKDGBTBDNDNKOK-IWSPIJDZSA-N 0 1 256.258 0.110 20 5 CCBDMN CO[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000856157056 617087779 /nfs/dbraw/zinc/08/77/79/617087779.db2.gz YWAWSPNVRAIQSF-GMTAPVOTSA-N 0 1 256.302 0.973 20 5 CCBDMN CO[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000839683237 617087826 /nfs/dbraw/zinc/08/78/26/617087826.db2.gz DGXGMLRRNHNYEZ-HSUXUTPPSA-N 0 1 256.180 0.345 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1CC1CCOCC1 ZINC000890806154 624643024 /nfs/dbraw/zinc/64/30/24/624643024.db2.gz LXVTXCWLBVREGL-YNEHKIRRSA-N 0 1 298.339 0.696 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCN(C2CC2)C1 ZINC000891999724 625022359 /nfs/dbraw/zinc/02/23/59/625022359.db2.gz IYOJPBOCVFZRRF-MRVPVSSYSA-N 0 1 251.290 0.977 20 5 CCBDMN O=C1NCCCN1c1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905384826 634851895 /nfs/dbraw/zinc/85/18/95/634851895.db2.gz YOHILFMEBDPFDI-UHFFFAOYSA-N 0 1 278.312 0.973 20 5 CCBDMN C[C@H](NCC[N+](=O)[O-])[C@H](O)c1ccc2c(c1)OCO2 ZINC000905368488 634855677 /nfs/dbraw/zinc/85/56/77/634855677.db2.gz RPAASLORAFVPII-UFBFGSQYSA-N 0 1 268.269 0.704 20 5 CCBDMN C[C@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895249115 632034011 /nfs/dbraw/zinc/03/40/11/632034011.db2.gz OSYMCOZSNXHPOB-ONGXEEELSA-N 0 1 295.343 0.742 20 5 CCBDMN Cn1cc([C@]2(CNCC[N+](=O)[O-])CCCO2)cn1 ZINC000905687721 634892570 /nfs/dbraw/zinc/89/25/70/634892570.db2.gz RLXXLKUQALHOHO-LLVKDONJSA-N 0 1 254.290 0.292 20 5 CCBDMN O=C(C=C1CCC1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991278578 635832491 /nfs/dbraw/zinc/83/24/91/635832491.db2.gz ITVBTJQXIOFPOT-GHMZBOCLSA-N 0 1 279.296 0.089 20 5 CCBDMN Cc1nn(C)c(C(=O)N2CC[C@@H](N3CCC3)C2)c1[N+](=O)[O-] ZINC000912918552 636703228 /nfs/dbraw/zinc/70/32/28/636703228.db2.gz FROWBKKYUCMUAP-SNVBAGLBSA-N 0 1 293.327 0.557 20 5 CCBDMN CC1(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCC1 ZINC000997473183 638871010 /nfs/dbraw/zinc/87/10/10/638871010.db2.gz STBAYRAGJKITMO-NXEZZACHSA-N 0 1 281.312 0.169 20 5 CCBDMN CC(C)(C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC000997985681 638891163 /nfs/dbraw/zinc/89/11/63/638891163.db2.gz HFALUKCKFNYXTG-GHMZBOCLSA-N 0 1 295.339 0.415 20 5 CCBDMN C[C@](O)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC000839691454 640349919 /nfs/dbraw/zinc/34/99/19/640349919.db2.gz OKBIYVMGMZQVSB-XLDPMVHQSA-N 0 1 254.242 0.269 20 5 CCBDMN Cc1cnc(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC000839683085 640355135 /nfs/dbraw/zinc/35/51/35/640355135.db2.gz BLPHHFLSOVNFRG-NXEZZACHSA-N 0 1 296.352 0.765 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCS[C@@H]2COCC[C@H]21 ZINC000839708563 640356217 /nfs/dbraw/zinc/35/62/17/640356217.db2.gz XYMNOHNIZFBTKH-ZYUZMQFOSA-N 0 1 272.326 0.385 20 5 CCBDMN O=C(Nc1ccncc1Br)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839712435 640356774 /nfs/dbraw/zinc/35/67/74/640356774.db2.gz IFWKTDNAWSPHTL-SVGQVSJJSA-N 0 1 286.085 0.870 20 5 CCBDMN O=C(N[C@H]1CN(c2ccccc2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839721184 640357718 /nfs/dbraw/zinc/35/77/18/640357718.db2.gz KHCYANBYKMMHRJ-OUAUKWLOSA-N 0 1 275.264 0.183 20 5 CCBDMN O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839722762 640357929 /nfs/dbraw/zinc/35/79/29/640357929.db2.gz JKXZJMLEXIPQRE-GMSGAONNSA-N 0 1 276.252 0.550 20 5 CCBDMN O=C(Nc1cccc(O[C@@H]2CC(=O)N2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839897879 640607008 /nfs/dbraw/zinc/60/70/08/640607008.db2.gz VEUHBMBNJNQUPT-CKYFFXLPSA-N 0 1 291.263 0.515 20 5 CCBDMN C[C@@H](C[N+](=O)[O-])OC(=O)CCCCc1cn[nH]n1 ZINC000814050397 641056038 /nfs/dbraw/zinc/05/60/38/641056038.db2.gz WXKHOVIQERLDOJ-QMMMGPOBSA-N 0 1 256.262 0.726 20 5 CCBDMN O=C(OCc1cc2n(n1)CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000817481163 641260067 /nfs/dbraw/zinc/26/00/67/641260067.db2.gz DOEAQRIZCFYMGV-NXEZZACHSA-N 0 1 251.242 0.538 20 5 CCBDMN O=C(NCC[C@H](O)C1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000831401900 642360450 /nfs/dbraw/zinc/36/04/50/642360450.db2.gz KUCVYCJXWVYUFD-MXWKQRLJSA-N 0 1 256.302 0.709 20 5 CCBDMN O=C(OCCn1cc(Cl)cn1)[C@@H]1CC1[N+](=O)[O-] ZINC000840674310 642786210 /nfs/dbraw/zinc/78/62/10/642786210.db2.gz LAQWXFZKTFKYIA-HTQZYQBOSA-N 0 1 259.649 0.745 20 5 CCBDMN Cc1cnc(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000842335326 642892509 /nfs/dbraw/zinc/89/25/09/642892509.db2.gz LIILNQDKQKDZON-NXEZZACHSA-N 0 1 251.242 0.536 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000844435913 643216586 /nfs/dbraw/zinc/21/65/86/643216586.db2.gz ZMVBPOAVWCTFLU-OXMIEMGYSA-N 0 1 296.348 0.833 20 5 CCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])COc1ccc(F)cc1 ZINC000849808106 643758829 /nfs/dbraw/zinc/75/88/29/643758829.db2.gz ZICJITSCYHCXIL-VXGBXAGGSA-N 0 1 297.238 0.982 20 5 CCBDMN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[N@@H+]1CC[C@H](O)C1 ZINC000858868749 644656103 /nfs/dbraw/zinc/65/61/03/644656103.db2.gz PRNOTZZPALTQKU-VIFPVBQESA-N 0 1 296.283 0.982 20 5 CCBDMN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCN1CC[C@H](O)C1 ZINC000858868749 644656112 /nfs/dbraw/zinc/65/61/12/644656112.db2.gz PRNOTZZPALTQKU-VIFPVBQESA-N 0 1 296.283 0.982 20 5 CCBDMN O=C(NC[C@H]1COCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000861973413 644955570 /nfs/dbraw/zinc/95/55/70/644955570.db2.gz UKHFYUNBQHLHOT-JTQLQIEISA-N 0 1 268.225 0.403 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@H](NC(=O)C2CC2)C1 ZINC001019914965 651014915 /nfs/dbraw/zinc/01/49/15/651014915.db2.gz BOHGXANETUHCSH-MGCOHNPYSA-N 0 1 293.327 0.475 20 5 CCBDMN O=C(NCc1nccnc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000868234932 645736627 /nfs/dbraw/zinc/73/66/27/645736627.db2.gz GHFQUDAUEGTTID-IYSWYEEDSA-N 0 1 256.649 0.411 20 5 CCBDMN O=[N+]([O-])c1ncccc1CN(CCO)C1CCOCC1 ZINC000886158135 647909632 /nfs/dbraw/zinc/90/96/32/647909632.db2.gz SIGONNDTMSWPPF-UHFFFAOYSA-N 0 1 281.312 0.963 20 5 CCBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1OC1CS(=O)(=O)C1 ZINC001230600778 805631720 /nfs/dbraw/zinc/63/17/20/805631720.db2.gz ICPBXTGFBBCVQX-UHFFFAOYSA-N 0 1 283.265 0.647 20 5 CCBDMN C[C@H]1CN2CCN1C[C@H]2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001123472666 799416314 /nfs/dbraw/zinc/41/63/14/799416314.db2.gz GYNHJVSTJZCUNL-GWCFXTLKSA-N 0 1 290.323 0.922 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCSC[C@@H]1CO ZINC001137625549 799678672 /nfs/dbraw/zinc/67/86/72/799678672.db2.gz MZMTVPYNCFLSKX-JTQLQIEISA-N 0 1 298.320 0.850 20 5 CCBDMN O=C(OCCO[C@H]1CCCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672592 800049779 /nfs/dbraw/zinc/04/97/79/800049779.db2.gz CIPCZHSZENCXQM-BBBLOLIVSA-N 0 1 259.258 0.738 20 5 CCBDMN Cc1cc(CCC(=O)NCCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC001150028894 800312651 /nfs/dbraw/zinc/31/26/51/800312651.db2.gz CGLFFNFGXFHQCQ-UHFFFAOYSA-N 0 1 292.299 0.572 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2nccnc2[N+](=O)[O-])S1 ZINC001163662224 802585088 /nfs/dbraw/zinc/58/50/88/802585088.db2.gz LJVFGNIJRRVKNH-ZCFIWIBFSA-N 0 1 255.215 0.106 20 5 CCBDMN CN(C1CN(c2cc([N+](=O)[O-])ccn2)C1)[C@@H]1CCOC1 ZINC001165203801 802794807 /nfs/dbraw/zinc/79/48/07/802794807.db2.gz GTAQQCQUNPFLBZ-LLVKDONJSA-N 0 1 278.312 0.899 20 5 CCBDMN Cc1nc(OC2CCOCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375431 805527356 /nfs/dbraw/zinc/52/73/56/805527356.db2.gz DEIDMQDFNSNMJW-UHFFFAOYSA-N 0 1 255.230 0.957 20 5 CCBDMN Cc1nc(O[C@@H]2COC(=O)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229376400 805527390 /nfs/dbraw/zinc/52/73/90/805527390.db2.gz UINIEOKCVMLUJZ-YFKPBYRVSA-N 0 1 255.186 0.093 20 5 CCBDMN COC(=O)[C@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC001261369652 808961563 /nfs/dbraw/zinc/96/15/63/808961563.db2.gz ILUSHMWUEXQXKB-JTNHKYCSSA-N 0 1 292.291 0.856 20 5 CCBDMN CN1CC(C(=O)NCc2cccc([N+](=O)[O-])c2)=NC1=O ZINC001126250413 812114601 /nfs/dbraw/zinc/11/46/01/812114601.db2.gz SIJHYFSIODOWKC-UHFFFAOYSA-N 0 1 276.252 0.964 20 5 CCBDMN Cc1csc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001030292450 815961092 /nfs/dbraw/zinc/96/10/92/815961092.db2.gz JPTRNUKANJISNG-NXEZZACHSA-N 0 1 296.352 0.417 20 5 CCBDMN NC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001129270301 819940514 /nfs/dbraw/zinc/94/05/14/819940514.db2.gz AKDWAKYWXIMJIV-PHDIDXHHSA-N 0 1 255.255 0.451 20 5 CCBDMN O=C1NC(=O)[C@H](N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)S1 ZINC001168961893 836085655 /nfs/dbraw/zinc/08/56/55/836085655.db2.gz LAOPFOOREDFXSY-ATRFCDNQSA-N 0 1 259.287 0.331 20 5 CCBDMN O=C1[N-]C(=O)[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)S1 ZINC001168961893 836085664 /nfs/dbraw/zinc/08/56/64/836085664.db2.gz LAOPFOOREDFXSY-ATRFCDNQSA-N 0 1 259.287 0.331 20 5 CCBDMN CCOC(=O)c1nnc(CN[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)o1 ZINC001168967362 836088557 /nfs/dbraw/zinc/08/85/57/836088557.db2.gz OZAWFMGNWWPXTI-RKDXNWHRSA-N 0 1 298.299 0.781 20 5 CCBDMN COC(=O)[C@H](CCC(=O)[O-])[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168971362 836089215 /nfs/dbraw/zinc/08/92/15/836089215.db2.gz JRBIEOFTTYIJPI-UTLUCORTSA-N 0 1 288.300 0.428 20 5 CCBDMN NCc1nccnc1N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987499 836101137 /nfs/dbraw/zinc/10/11/37/836101137.db2.gz JDKGJLNXXQFWMD-BDAKNGLRSA-N 0 1 251.290 0.793 20 5 CCBDMN COc1ccnc(NC[C@H]2COCCN2)c1[N+](=O)[O-] ZINC001170036319 836754842 /nfs/dbraw/zinc/75/48/42/836754842.db2.gz XKCABYOKLPCDCU-QMMMGPOBSA-N 0 1 268.273 0.399 20 5 CCBDMN O=[N+]([O-])c1cc(NC[C@H]2COCCN2)cn2cnnc12 ZINC001170043409 836776669 /nfs/dbraw/zinc/77/66/69/836776669.db2.gz HIEMBYSMESWZKW-VIFPVBQESA-N 0 1 278.272 0.038 20 5 CCBDMN COc1ccc(CC(=O)N(C)c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001130972449 837961938 /nfs/dbraw/zinc/96/19/38/837961938.db2.gz YHSPSTXKUZMOEE-UHFFFAOYSA-N 0 1 292.255 0.322 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1COCCN1 ZINC001159043157 838829247 /nfs/dbraw/zinc/82/92/47/838829247.db2.gz PLMZHGFCNVERDN-QMMMGPOBSA-N 0 1 296.283 0.177 20 5 CCBDMN CC[C@](N)(CO)Nc1cc([N+](=O)[O-])cc(C(=O)OC)n1 ZINC001170859690 839441907 /nfs/dbraw/zinc/44/19/07/839441907.db2.gz QTWNMUJMSAZLII-LLVKDONJSA-N 0 1 284.272 0.246 20 5 CCBDMN CC[C@](N)(CO)Nc1ccc(OC)c([N+](=O)[O-])n1 ZINC001170859695 839442093 /nfs/dbraw/zinc/44/20/93/839442093.db2.gz QVLOIRHMQOOOHP-SNVBAGLBSA-N 0 1 256.262 0.468 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(COC)C2)c1[N+](=O)[O-] ZINC001143865722 839884276 /nfs/dbraw/zinc/88/42/76/839884276.db2.gz YYNRHHKRWAEWGZ-UHFFFAOYSA-N 0 1 268.273 0.599 20 5 CCBDMN COCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccnc1 ZINC001176774837 842404773 /nfs/dbraw/zinc/40/47/73/842404773.db2.gz LWZMYLHEHILVIA-GRYCIOLGSA-N 0 1 279.296 0.941 20 5 CCBDMN CCC[C@H](O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001179588936 843021495 /nfs/dbraw/zinc/02/14/95/843021495.db2.gz RPFAIPOMNPYCKG-ZETCQYMHSA-N 0 1 256.262 0.599 20 5 CCBDMN O=C(NCC1(OCCO)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001179863158 843074080 /nfs/dbraw/zinc/07/40/80/843074080.db2.gz HMROMMWFVLDHMC-GHMZBOCLSA-N 0 1 286.328 0.480 20 5 CCBDMN Cn1cc(CN2CC[C@@H](O)C2(C)C)c([N+](=O)[O-])n1 ZINC000878634743 848138300 /nfs/dbraw/zinc/13/83/00/848138300.db2.gz MOIHJIVVWUTKOQ-SECBINFHSA-N 0 1 254.290 0.674 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2OCCC[C@@H]2C1 ZINC001117998128 856131552 /nfs/dbraw/zinc/13/15/52/856131552.db2.gz SVCUUQLVNQHQCH-GWOFURMSSA-N 0 1 254.286 0.679 20 5 CCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cc(C)no1 ZINC001480974596 892005660 /nfs/dbraw/zinc/00/56/60/892005660.db2.gz PMBZTPBMUTZSBS-VXGBXAGGSA-N 0 1 296.327 0.586 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CNCCO2)n1 ZINC001326201613 913815637 /nfs/dbraw/zinc/81/56/37/913815637.db2.gz RWDZBEJPFCUPTF-LURJTMIESA-N 0 1 280.244 0.039 20 5 CCBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001326500568 913988385 /nfs/dbraw/zinc/98/83/85/913988385.db2.gz FRERHTLIGNNRBW-UWVGGRQHSA-N 0 1 282.300 0.976 20 5 CCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccn(C)n1 ZINC001490192758 900562569 /nfs/dbraw/zinc/56/25/69/900562569.db2.gz DVUSBYGEKCMXOG-VXGBXAGGSA-N 0 1 295.343 0.023 20 5 CCBDMN Cc1cc(N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n[nH]1 ZINC001296649449 906945087 /nfs/dbraw/zinc/94/50/87/906945087.db2.gz DBISMNGAJKZSLV-GHMZBOCLSA-N 0 1 293.327 0.468 20 5 CCBDMN O=C(C=C1CCC1)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298344465 907228137 /nfs/dbraw/zinc/22/81/37/907228137.db2.gz YCDGDSQVPTXZIZ-NUYITTKVSA-N 0 1 293.323 0.551 20 5 CCBDMN O=C(N[C@@H](c1ncccn1)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001303909412 908127507 /nfs/dbraw/zinc/12/75/07/908127507.db2.gz MXRPDSUNKSLSAG-SECBINFHSA-N 0 1 288.267 0.989 20 5 CCBDMN CNC(=O)Cn1nc(Nc2nn(C)cc2[N+](=O)[O-])cc1C ZINC001307086658 908281880 /nfs/dbraw/zinc/28/18/80/908281880.db2.gz YPLKGQIMXWVCNR-UHFFFAOYSA-N 0 1 293.287 0.323 20 5 CCBDMN CN(C)C1CN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC001319813685 910304279 /nfs/dbraw/zinc/30/42/79/910304279.db2.gz GZMFXIJIDHQIGM-UHFFFAOYSA-N 0 1 261.285 0.993 20 5 CCBDMN CN1CCN(C2CN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC001333281928 918770447 /nfs/dbraw/zinc/77/04/47/918770447.db2.gz ILHKPNNPGCTNCB-UHFFFAOYSA-N 0 1 298.387 0.280 20 5 CCBDMN NC(=O)[C@H](CNCC[N+](=O)[O-])Cc1ccccc1Cl ZINC001336752870 920981505 /nfs/dbraw/zinc/98/15/05/920981505.db2.gz BDYVJUHTVQOHSD-JTQLQIEISA-N 0 1 285.731 0.850 20 5 CCBDMN Cc1c(CC(=O)N2CCNC[C@H]2CO)cccc1[N+](=O)[O-] ZINC001340954961 922292616 /nfs/dbraw/zinc/29/26/16/922292616.db2.gz UKNFHWRYBKAYOD-LBPRGKRZSA-N 0 1 293.323 0.238 20 5 CCBDMN CN1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1=O ZINC001344809114 923693313 /nfs/dbraw/zinc/69/33/13/923693313.db2.gz QYYIETJKJMKZHW-ZETCQYMHSA-N 0 1 267.241 0.701 20 5 CCBDMN C[C@@H](C(=O)[O-])[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC001588597446 959391903 /nfs/dbraw/zinc/39/19/03/959391903.db2.gz QEHQXNMTPAPJTR-QMMMGPOBSA-N 0 1 268.273 0.729 20 5 CCBDMN C[C@@H](C[NH3+])CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001592612180 978572539 /nfs/dbraw/zinc/57/25/39/978572539.db2.gz ZGMAZNCAVZCIDQ-VIFPVBQESA-N 0 1 297.311 0.743 20 5 CCBDMN C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C(=O)[O-])C1 ZINC001598611119 993775339 /nfs/dbraw/zinc/77/53/39/993775339.db2.gz OBEHDWFXBKEHSP-MRVPVSSYSA-N 0 1 296.283 0.011 20 5 CCBDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC001594167390 998645088 /nfs/dbraw/zinc/64/50/88/998645088.db2.gz PHWUIGOWWICSRY-SFYZADRCSA-N 0 1 254.246 0.544 20 5 CCBDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC001594167390 998645092 /nfs/dbraw/zinc/64/50/92/998645092.db2.gz PHWUIGOWWICSRY-SFYZADRCSA-N 0 1 254.246 0.544 20 5 CCBDMN COCCN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)C(N)=O ZINC000093137133 349526992 /nfs/dbraw/zinc/52/69/92/349526992.db2.gz VOMXWMGFZNEOGO-SECBINFHSA-N 0 1 297.311 0.623 20 5 CCBDMN CC(C)(C)n1ncnc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000337646397 214196091 /nfs/dbraw/zinc/19/60/91/214196091.db2.gz HVOJHUINGDHXLN-UHFFFAOYSA-N 0 1 293.287 0.594 20 5 CCBDMN O=C(NC[C@H](O)[C@@H]1CCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600242335 361902756 /nfs/dbraw/zinc/90/27/56/361902756.db2.gz PJPBZLGBSPMVOP-RYUDHWBXSA-N 0 1 296.279 0.570 20 5 CCBDMN C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000101675974 349668472 /nfs/dbraw/zinc/66/84/72/349668472.db2.gz BPLOZCDXUOSVPD-UHFFFAOYSA-N 0 1 294.311 0.767 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(C)(C(=O)OC)C2)c1[N+](=O)[O-] ZINC000425153452 529465699 /nfs/dbraw/zinc/46/56/99/529465699.db2.gz RTERBNGVYGGPBV-UHFFFAOYSA-N 0 1 296.283 0.515 20 5 CCBDMN C[C@H](C[S@](C)=O)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000126155762 187220530 /nfs/dbraw/zinc/22/05/30/187220530.db2.gz NOOXOHFZBKNRTI-DYBLOJMWSA-N 0 1 274.346 0.490 20 5 CCBDMN CC[C@H](C)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000456554462 529697774 /nfs/dbraw/zinc/69/77/74/529697774.db2.gz OUMQBUPNLUTSID-JTQLQIEISA-N 0 1 296.331 0.129 20 5 CCBDMN C[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N(C)C ZINC000602133715 362512833 /nfs/dbraw/zinc/51/28/33/362512833.db2.gz RKFLVRONFUZDGA-VIFPVBQESA-N 0 1 278.312 0.825 20 5 CCBDMN CC(C)[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000602525470 362657402 /nfs/dbraw/zinc/65/74/02/362657402.db2.gz BHTVZHNZDBJEDZ-JTQLQIEISA-N 0 1 266.301 0.993 20 5 CCBDMN Cn1cc(CN[C@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])n1 ZINC000602718795 362768215 /nfs/dbraw/zinc/76/82/15/362768215.db2.gz TYPWCUGJSKNWBK-UWVGGRQHSA-N 0 1 266.301 0.721 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](OCCO)C1 ZINC000602776837 362794795 /nfs/dbraw/zinc/79/47/95/362794795.db2.gz BDHXFZKGVVZXHB-GFCCVEGCSA-N 0 1 298.343 0.573 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](C)C[S@@](C)=O ZINC000602808748 362810821 /nfs/dbraw/zinc/81/08/21/362810821.db2.gz ZFLHRVHATXFWQI-ZRNGKTOUSA-N 0 1 288.373 0.799 20 5 CCBDMN Cn1cc(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000602843356 362831563 /nfs/dbraw/zinc/83/15/63/362831563.db2.gz HDRIOHWBNZCMOD-UMNHJUIQSA-N 0 1 280.328 0.921 20 5 CCBDMN C[C@H]1CSC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000342315161 137088033 /nfs/dbraw/zinc/08/80/33/137088033.db2.gz KVMJOYJOMJIIFH-NTSWFWBYSA-N 0 1 256.287 0.799 20 5 CCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(CCO)C1 ZINC000343017427 137110128 /nfs/dbraw/zinc/11/01/28/137110128.db2.gz RZACCSLBRJRPCK-UHFFFAOYSA-N 0 1 290.279 0.926 20 5 CCBDMN Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2N)n[nH]1 ZINC000343333943 137129273 /nfs/dbraw/zinc/12/92/73/137129273.db2.gz ABAITFVSZHYRQT-RXMQYKEDSA-N 0 1 291.271 0.490 20 5 CCBDMN COc1cc(CN[C@H](C)CC(N)=O)c([N+](=O)[O-])cc1OC ZINC000344837418 137216223 /nfs/dbraw/zinc/21/62/23/137216223.db2.gz LMMXBYPIWSZDTI-MRVPVSSYSA-N 0 1 297.311 0.966 20 5 CCBDMN CCNC(=O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000036780546 348169947 /nfs/dbraw/zinc/16/99/47/348169947.db2.gz HEFWAJZLWGWVRY-UHFFFAOYSA-N 0 1 267.285 0.829 20 5 CCBDMN C[C@@]1(F)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000347366552 137333064 /nfs/dbraw/zinc/33/30/64/137333064.db2.gz ZREATUITJHOAFS-GHMZBOCLSA-N 0 1 272.280 0.586 20 5 CCBDMN NC(=O)c1ccc(CN2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000050116451 348468547 /nfs/dbraw/zinc/46/85/47/348468547.db2.gz SYOITCZVRFDJSX-NSHDSACASA-N 0 1 279.296 0.650 20 5 CCBDMN CN(C)C1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000273419825 192143775 /nfs/dbraw/zinc/14/37/75/192143775.db2.gz JCYIWJDCNCWNCG-UHFFFAOYSA-N 0 1 265.273 0.768 20 5 CCBDMN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CNCCO1 ZINC000052943185 348517974 /nfs/dbraw/zinc/51/79/74/348517974.db2.gz XSGGUTBNRXQAIB-NSHDSACASA-N 0 1 265.269 0.199 20 5 CCBDMN COC(=O)[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000066144564 348734894 /nfs/dbraw/zinc/73/48/94/348734894.db2.gz BJZHYNNTPFVWMF-MRVPVSSYSA-N 0 1 296.283 0.652 20 5 CCBDMN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000078904177 349158821 /nfs/dbraw/zinc/15/88/21/349158821.db2.gz OVBVKJCLKOZBTE-NXEZZACHSA-N 0 1 299.327 0.731 20 5 CCBDMN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(CO)CO ZINC000135889552 350409832 /nfs/dbraw/zinc/40/98/32/350409832.db2.gz PJLXZNRMFWEZLN-ZDUSSCGKSA-N 0 1 298.339 0.551 20 5 CCBDMN CCc1nc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)n[nH]1 ZINC000177924368 351216466 /nfs/dbraw/zinc/21/64/66/351216466.db2.gz KUNXWYKQSOYNBY-UHFFFAOYSA-N 0 1 279.260 0.419 20 5 CCBDMN CCc1n[nH]c(NC(=O)Cn2cc([N+](=O)[O-])nc2C)n1 ZINC000177924368 351216467 /nfs/dbraw/zinc/21/64/67/351216467.db2.gz KUNXWYKQSOYNBY-UHFFFAOYSA-N 0 1 279.260 0.419 20 5 CCBDMN [NH3+]CCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122002007 187009729 /nfs/dbraw/zinc/00/97/29/187009729.db2.gz IEAXWGMGUKHNFX-UHFFFAOYSA-N 0 1 291.304 0.751 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000227195689 352040498 /nfs/dbraw/zinc/04/04/98/352040498.db2.gz WEHIXCNCCHBDKL-KOLCDFICSA-N 0 1 268.317 0.802 20 5 CCBDMN CCN1CCCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000264812008 352598908 /nfs/dbraw/zinc/59/89/08/352598908.db2.gz VZJHOIZYSHWOFD-UHFFFAOYSA-N 0 1 295.343 0.805 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(C2CCC2)CC1 ZINC000264874264 352604086 /nfs/dbraw/zinc/60/40/86/352604086.db2.gz BFNNMEHAJPGPFD-UHFFFAOYSA-N 0 1 293.327 0.488 20 5 CCBDMN O=C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000269684588 352863599 /nfs/dbraw/zinc/86/35/99/352863599.db2.gz ZEOKULOKRQXQTN-GFCCVEGCSA-N 0 1 279.296 0.450 20 5 CCBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000270940283 353006031 /nfs/dbraw/zinc/00/60/31/353006031.db2.gz YMGTVKARSWQOCI-CLZZGJSISA-N 0 1 296.205 0.750 20 5 CCBDMN CCNC(=O)[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272590083 353077489 /nfs/dbraw/zinc/07/74/89/353077489.db2.gz MNVXHOIFCCGIDF-SSDOTTSWSA-N 0 1 281.268 0.555 20 5 CCBDMN C[C@@H]1CN(CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000418995657 234281351 /nfs/dbraw/zinc/28/13/51/234281351.db2.gz DEAOATWSWVELLQ-WDEREUQCSA-N 0 1 280.328 0.881 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC(CO)C2)c1[N+](=O)[O-] ZINC000274827446 353165498 /nfs/dbraw/zinc/16/54/98/353165498.db2.gz YPXZJEVGCIHYPA-UHFFFAOYSA-N 0 1 268.273 0.506 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOCC(F)(F)C2)c1[N+](=O)[O-] ZINC000290620391 353738032 /nfs/dbraw/zinc/73/80/32/353738032.db2.gz KUXAVJSXFHQMTM-UHFFFAOYSA-N 0 1 290.226 0.734 20 5 CCBDMN COc1ccc(CN[C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000295625232 353908476 /nfs/dbraw/zinc/90/84/76/353908476.db2.gz ORJSVKCMGXTKRL-MWLCHTKSSA-N 0 1 268.269 0.453 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@H](CC)CO)c1[N+](=O)[O-] ZINC000295995536 353927333 /nfs/dbraw/zinc/92/73/33/353927333.db2.gz JPHAGVHVKJQYHS-SSDOTTSWSA-N 0 1 270.289 0.723 20 5 CCBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc[nH]1 ZINC000299189706 353997717 /nfs/dbraw/zinc/99/77/17/353997717.db2.gz FTHYFBOMKWKCJK-UHFFFAOYSA-N 0 1 290.283 0.709 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000338961603 355461251 /nfs/dbraw/zinc/46/12/51/355461251.db2.gz HAZQABMXHNBGQO-TXEJJXNPSA-N 0 1 280.280 0.900 20 5 CCBDMN NC(=O)N[C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339058579 355478949 /nfs/dbraw/zinc/47/89/49/355478949.db2.gz WPCUOXZLFCHLIK-VIFPVBQESA-N 0 1 280.284 0.543 20 5 CCBDMN CN1CCC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000608839535 363466982 /nfs/dbraw/zinc/46/69/82/363466982.db2.gz DIXQVJNYTNSUQC-JTQLQIEISA-N 0 1 295.343 0.737 20 5 CCBDMN Cc1cc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])n[nH]1 ZINC000619787567 366353459 /nfs/dbraw/zinc/35/34/59/366353459.db2.gz BQUKSEMOZQXSLX-UHFFFAOYSA-N 0 1 250.218 0.279 20 5 CCBDMN CO[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000294536601 199076282 /nfs/dbraw/zinc/07/62/82/199076282.db2.gz LNJMESXSKVFWST-MRVPVSSYSA-N 0 1 254.246 0.473 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588864042 359343060 /nfs/dbraw/zinc/34/30/60/359343060.db2.gz XJMULBFJRDUIGB-ZJUUUORDSA-N 0 1 295.295 0.469 20 5 CCBDMN C[C@H](CO)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000590962221 359542218 /nfs/dbraw/zinc/54/22/18/359542218.db2.gz GOWCFJNMHIQQOI-NSHDSACASA-N 0 1 280.328 0.740 20 5 CCBDMN C[C@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000563109392 291194059 /nfs/dbraw/zinc/19/40/59/291194059.db2.gz AVDBUGGXMGBKNU-GFCCVEGCSA-N 0 1 280.284 0.506 20 5 CCBDMN C[C@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000563118764 291196003 /nfs/dbraw/zinc/19/60/03/291196003.db2.gz FVCIUWVSWFBVFJ-MRVPVSSYSA-N 0 1 282.300 0.943 20 5 CCBDMN O=[N+]([O-])c1ccn(Cc2nc([C@H]3CCCN3)no2)n1 ZINC000592356930 359823745 /nfs/dbraw/zinc/82/37/45/359823745.db2.gz LXWQVAVZSHVANY-SSDOTTSWSA-N 0 1 264.245 0.647 20 5 CCBDMN Cc1cc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])n[nH]1 ZINC000611206210 363679777 /nfs/dbraw/zinc/67/97/77/363679777.db2.gz XVLWSXZHFKKERV-UHFFFAOYSA-N 0 1 250.218 0.279 20 5 CCBDMN Cc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])[nH]n1 ZINC000611206210 363679782 /nfs/dbraw/zinc/67/97/82/363679782.db2.gz XVLWSXZHFKKERV-UHFFFAOYSA-N 0 1 250.218 0.279 20 5 CCBDMN COC1CCN(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000611212395 363683517 /nfs/dbraw/zinc/68/35/17/363683517.db2.gz MXOXRYMVRYXLHU-UHFFFAOYSA-N 0 1 297.315 0.159 20 5 CCBDMN COC(=O)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC1 ZINC000611211011 363683725 /nfs/dbraw/zinc/68/37/25/363683725.db2.gz CKWKTRUPQRCOQX-UHFFFAOYSA-N 0 1 296.283 0.781 20 5 CCBDMN O=[N+]([O-])c1cccnc1N1CCN(Cc2nnc[nH]2)CC1 ZINC000593507994 360102510 /nfs/dbraw/zinc/10/25/10/360102510.db2.gz LNECCKRJPVWROS-UHFFFAOYSA-N 0 1 289.299 0.430 20 5 CCBDMN NC(=O)[C@]1(NCCOc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000594035393 360239583 /nfs/dbraw/zinc/23/95/83/360239583.db2.gz LJDDTWUSZRHMQQ-ZDUSSCGKSA-N 0 1 295.295 0.208 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CCN3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000594604235 360338641 /nfs/dbraw/zinc/33/86/41/360338641.db2.gz UNTIUAJDBOOJEY-VHSXEESVSA-N 0 1 282.275 0.384 20 5 CCBDMN Cc1cc(C[C@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000178195914 189097130 /nfs/dbraw/zinc/09/71/30/189097130.db2.gz BIAZPZNMBUQIPC-QMMMGPOBSA-N 0 1 292.299 0.570 20 5 CCBDMN Cc1ccc([C@H](C)NC(=O)C2(O)CNC2)cc1[N+](=O)[O-] ZINC000595941056 360717759 /nfs/dbraw/zinc/71/77/59/360717759.db2.gz LHFQIJBRXMUWTO-VIFPVBQESA-N 0 1 279.296 0.415 20 5 CCBDMN C[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)N1CCN(C)CC1 ZINC000596103723 360795204 /nfs/dbraw/zinc/79/52/04/360795204.db2.gz FNYOXUSBBYGSKG-JTQLQIEISA-N 0 1 294.359 0.042 20 5 CCBDMN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000179208055 189177736 /nfs/dbraw/zinc/17/77/36/189177736.db2.gz MESJVMGRZDNABH-NSHDSACASA-N 0 1 281.312 0.867 20 5 CCBDMN COCc1nc(CNc2cccnc2[N+](=O)[O-])n[nH]1 ZINC000596435125 360894873 /nfs/dbraw/zinc/89/48/73/360894873.db2.gz BAGCBULHWJSWJI-UHFFFAOYSA-N 0 1 264.245 0.866 20 5 CCBDMN COCc1nnc(CNc2cccnc2[N+](=O)[O-])[nH]1 ZINC000596435125 360894877 /nfs/dbraw/zinc/89/48/77/360894877.db2.gz BAGCBULHWJSWJI-UHFFFAOYSA-N 0 1 264.245 0.866 20 5 CCBDMN COC(=O)c1cnc(N(C)CC2CN(C)C2)c([N+](=O)[O-])c1 ZINC000596452057 360899393 /nfs/dbraw/zinc/89/93/93/360899393.db2.gz AGPCMPSPXWILAB-UHFFFAOYSA-N 0 1 294.311 0.774 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000179612847 189207198 /nfs/dbraw/zinc/20/71/98/189207198.db2.gz DHZDYBGLBAMCJD-LURJTMIESA-N 0 1 283.288 0.351 20 5 CCBDMN COCc1nc(CNC(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000598051170 361325078 /nfs/dbraw/zinc/32/50/78/361325078.db2.gz QYGWTKMMECDUDK-UHFFFAOYSA-N 0 1 292.255 0.184 20 5 CCBDMN COCc1nnc(CNC(=O)c2ccc([N+](=O)[O-])cn2)[nH]1 ZINC000598051170 361325084 /nfs/dbraw/zinc/32/50/84/361325084.db2.gz QYGWTKMMECDUDK-UHFFFAOYSA-N 0 1 292.255 0.184 20 5 CCBDMN COCc1nc(CNC(=O)c2ccc([N+](=O)[O-])n2C)n[nH]1 ZINC000598056523 361326301 /nfs/dbraw/zinc/32/63/01/361326301.db2.gz ZCONXXVZEDZOHE-UHFFFAOYSA-N 0 1 294.271 0.128 20 5 CCBDMN COCc1nnc(CNC(=O)c2ccc([N+](=O)[O-])n2C)[nH]1 ZINC000598056523 361326305 /nfs/dbraw/zinc/32/63/05/361326305.db2.gz ZCONXXVZEDZOHE-UHFFFAOYSA-N 0 1 294.271 0.128 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1(CO)CC1 ZINC000598037270 361321011 /nfs/dbraw/zinc/32/10/11/361321011.db2.gz UQZFKKNKJYIAEO-LURJTMIESA-N 0 1 254.246 0.209 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000598165857 361346254 /nfs/dbraw/zinc/34/62/54/361346254.db2.gz ZBPXFCNZJCZVOK-UHFFFAOYSA-N 0 1 293.323 0.994 20 5 CCBDMN CC1(C)OCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598453708 361421713 /nfs/dbraw/zinc/42/17/13/361421713.db2.gz ICDBMYKWRMVHND-SSDOTTSWSA-N 0 1 268.273 0.863 20 5 CCBDMN C[C@H](CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[NH+](C)C ZINC000598769684 361511695 /nfs/dbraw/zinc/51/16/95/361511695.db2.gz QESKKXCZWFGGAU-MRVPVSSYSA-N 0 1 282.300 0.765 20 5 CCBDMN CCC[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599206958 361611913 /nfs/dbraw/zinc/61/19/13/361611913.db2.gz NQJATIQMVKMXAG-SSDOTTSWSA-N 0 1 276.318 0.795 20 5 CCBDMN NC(=O)c1cccc([N+](=O)[O-])c1NCCN1CC[C@H](O)C1 ZINC000599198992 361609258 /nfs/dbraw/zinc/60/92/58/361609258.db2.gz DZMNETLMGBJVCK-VIFPVBQESA-N 0 1 294.311 0.172 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)C)n1 ZINC000599202737 361609983 /nfs/dbraw/zinc/60/99/83/361609983.db2.gz GIZKZKSPJJFRFB-UHFFFAOYSA-N 0 1 262.291 0.405 20 5 CCBDMN CO[C@@H](C)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599226581 361615231 /nfs/dbraw/zinc/61/52/31/361615231.db2.gz DGEVJHSHHYTXQV-ZETCQYMHSA-N 0 1 292.317 0.032 20 5 CCBDMN CC(C)(CO)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000612785927 364011639 /nfs/dbraw/zinc/01/16/39/364011639.db2.gz ICHROUBWETYCSA-UHFFFAOYSA-N 0 1 281.316 0.278 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c1[N+](=O)[O-] ZINC000330846592 203306195 /nfs/dbraw/zinc/30/61/95/203306195.db2.gz OUGGVBRKNMBBEL-ZLWQNGGKSA-N 0 1 288.329 0.465 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](n3cccn3)C2)c1[N+](=O)[O-] ZINC000331649463 204041755 /nfs/dbraw/zinc/04/17/55/204041755.db2.gz WDHNHSKKHMYBEV-VIFPVBQESA-N 0 1 290.283 0.910 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2CCC[C@@](O)(CO)C2)c1 ZINC000459659726 249050863 /nfs/dbraw/zinc/05/08/63/249050863.db2.gz ZMDCXKXUEORFIY-AWEZNQCLSA-N 0 1 296.323 0.793 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H](CO)[C@@H](O)C1 ZINC000516494739 249167572 /nfs/dbraw/zinc/16/75/72/249167572.db2.gz PCNXSZOBKPODJE-ZANVPECISA-N 0 1 282.296 0.476 20 5 CCBDMN C[C@H](C[NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000447243696 285253899 /nfs/dbraw/zinc/25/38/99/285253899.db2.gz BRBDANADJBNOLW-ZCFIWIBFSA-N 0 1 279.343 0.529 20 5 CCBDMN Cc1cnccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000187473909 388883462 /nfs/dbraw/zinc/88/34/62/388883462.db2.gz HQPWKUMWESRJTK-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000290882354 388914793 /nfs/dbraw/zinc/91/47/93/388914793.db2.gz CBWUEQMRNISZLO-ZETCQYMHSA-N 0 1 294.271 0.389 20 5 CCBDMN C[C@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000054369662 388930283 /nfs/dbraw/zinc/93/02/83/388930283.db2.gz OIJHZRKYNDMMFW-QMMMGPOBSA-N 0 1 252.274 0.367 20 5 CCBDMN CC(C)(O)CN1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000071382184 388957818 /nfs/dbraw/zinc/95/78/18/388957818.db2.gz WQMXXGQGISMVEG-UHFFFAOYSA-N 0 1 281.316 0.278 20 5 CCBDMN CCc1nc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000193726053 389078672 /nfs/dbraw/zinc/07/86/72/389078672.db2.gz MNMAFUYDWIDMIX-UHFFFAOYSA-N 0 1 278.228 0.628 20 5 CCBDMN CCc1n[nH]c(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)n1 ZINC000193726053 389078675 /nfs/dbraw/zinc/07/86/75/389078675.db2.gz MNMAFUYDWIDMIX-UHFFFAOYSA-N 0 1 278.228 0.628 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000299505162 389040974 /nfs/dbraw/zinc/04/09/74/389040974.db2.gz DSWFTOXTXKAPIA-SSDOTTSWSA-N 0 1 281.272 0.106 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)c1nnc[nH]1 ZINC000355661757 389108281 /nfs/dbraw/zinc/10/82/81/389108281.db2.gz HALHKOUDWRZUQP-SSDOTTSWSA-N 0 1 293.287 0.485 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOC[C@H](C)C2)c1[N+](=O)[O-] ZINC000338362233 389110186 /nfs/dbraw/zinc/11/01/86/389110186.db2.gz YDQSYGXWHKUTKI-SSDOTTSWSA-N 0 1 268.273 0.735 20 5 CCBDMN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000247052887 389235866 /nfs/dbraw/zinc/23/58/66/389235866.db2.gz IJCSWQQTGNVGSY-GHMZBOCLSA-N 0 1 295.343 0.636 20 5 CCBDMN CCOC(=O)[C@@H]1NCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000422939687 389507592 /nfs/dbraw/zinc/50/75/92/389507592.db2.gz IDJWCHABXSMTFP-CHWSQXEVSA-N 0 1 293.323 0.978 20 5 CCBDMN CCOCCN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174849252 389531702 /nfs/dbraw/zinc/53/17/02/389531702.db2.gz NJAYKRMECATLND-UHFFFAOYSA-N 0 1 297.359 0.445 20 5 CCBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373619370 389502406 /nfs/dbraw/zinc/50/24/06/389502406.db2.gz RFMNLXVXIVUFKL-GIPNMCIBSA-N 0 1 284.312 0.448 20 5 CCBDMN O=C(NC[C@H]1CCCC(=O)N1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000447761386 389964794 /nfs/dbraw/zinc/96/47/94/389964794.db2.gz VGNDOUUETIDEPZ-SECBINFHSA-N 0 1 293.279 0.699 20 5 CCBDMN C[NH+](C)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000445182421 389922457 /nfs/dbraw/zinc/92/24/57/389922457.db2.gz NDQDUIACUPVOBU-LLVKDONJSA-N 0 1 294.311 0.765 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000537125088 390173557 /nfs/dbraw/zinc/17/35/57/390173557.db2.gz VMRWRFPMXNAOKC-SSDOTTSWSA-N 0 1 291.271 0.456 20 5 CCBDMN C[NH2+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000571880116 390757555 /nfs/dbraw/zinc/75/75/55/390757555.db2.gz QRTNGDUIBGHJSV-SECBINFHSA-N 0 1 294.311 0.767 20 5 CCBDMN CNS(=O)(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000190310094 130087998 /nfs/dbraw/zinc/08/79/98/130087998.db2.gz BQUURBXJEMHVAJ-UHFFFAOYSA-N 0 1 273.314 0.234 20 5 CCBDMN CO[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000267874042 131927856 /nfs/dbraw/zinc/92/78/56/131927856.db2.gz LAVRHIKENQEOOK-ZETCQYMHSA-N 0 1 254.246 0.487 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(CCO)CC1 ZINC000269277665 132148264 /nfs/dbraw/zinc/14/82/64/132148264.db2.gz JVDVBQUAVCLUMA-UHFFFAOYSA-N 0 1 295.295 0.051 20 5 CCBDMN C[C@H](CC(N)=O)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356600043 144018051 /nfs/dbraw/zinc/01/80/51/144018051.db2.gz SAAIUQQJQRGURN-ZCFIWIBFSA-N 0 1 267.241 0.294 20 5 CCBDMN COC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)OC ZINC000356776968 144032678 /nfs/dbraw/zinc/03/26/78/144032678.db2.gz LSRAXCXQNIZYOX-JTQLQIEISA-N 0 1 298.251 0.218 20 5 CCBDMN O=C(NCc1nnc[nH]1)c1csc([N+](=O)[O-])c1 ZINC000358575631 144163655 /nfs/dbraw/zinc/16/36/55/144163655.db2.gz VFTZKUMXOIMUOH-UHFFFAOYSA-N 0 1 253.243 0.704 20 5 CCBDMN CCC[C@H]1CNCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000359214847 144202546 /nfs/dbraw/zinc/20/25/46/144202546.db2.gz MGZSWAHPCHIXQM-NSHDSACASA-N 0 1 295.343 0.782 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(n2ccnc2)CC1 ZINC000368884868 144247884 /nfs/dbraw/zinc/24/78/84/144247884.db2.gz XMHCSKDYZVXNOQ-GHMZBOCLSA-N 0 1 264.285 0.712 20 5 CCBDMN COCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000028026520 171545633 /nfs/dbraw/zinc/54/56/33/171545633.db2.gz MNLSQCRXYHWVSE-UHFFFAOYSA-N 0 1 264.241 0.847 20 5 CCBDMN COc1ccc(CNCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000037225490 173045548 /nfs/dbraw/zinc/04/55/48/173045548.db2.gz YCWKAJKAKNEBQM-UHFFFAOYSA-N 0 1 267.285 0.781 20 5 CCBDMN COCCN1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273572960 274027047 /nfs/dbraw/zinc/02/70/47/274027047.db2.gz DONZEMPNKXVVJI-UHFFFAOYSA-N 0 1 281.316 0.543 20 5 CCBDMN CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000575400054 335100545 /nfs/dbraw/zinc/10/05/45/335100545.db2.gz JRCOWWCCRIXSDQ-SSDOTTSWSA-N 0 1 268.273 0.423 20 5 CCBDMN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H]1C[NH3+] ZINC000575749090 335111805 /nfs/dbraw/zinc/11/18/05/335111805.db2.gz UFDUQNGTNGPIJA-RKDXNWHRSA-N 0 1 294.311 0.752 20 5 CCBDMN C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000577512842 335363060 /nfs/dbraw/zinc/36/30/60/335363060.db2.gz ZCZLUSZNLJSNFC-XCBNKYQSSA-N 0 1 280.284 0.423 20 5 CCBDMN C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000578441897 335634782 /nfs/dbraw/zinc/63/47/82/335634782.db2.gz HJRWAYISOKMZMV-XVKPBYJWSA-N 0 1 280.284 0.566 20 5 CCBDMN CCCCCN(CCn1cc([N+](=O)[O-])cn1)CC(N)=O ZINC000183037111 520174668 /nfs/dbraw/zinc/17/46/68/520174668.db2.gz UDILXSQTKSFSRV-UHFFFAOYSA-N 0 1 283.332 0.769 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1NCCN1CCN(C)CC1 ZINC000052812425 525577122 /nfs/dbraw/zinc/57/71/22/525577122.db2.gz JQDMUXXMEFPKJV-UHFFFAOYSA-N 0 1 279.344 0.958 20 5 CCBDMN C[C@@H]1OCC[C@]12CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000366375641 525602833 /nfs/dbraw/zinc/60/28/33/525602833.db2.gz CUDATDFVIJXCDY-XNDJQWLSSA-N 0 1 270.285 0.058 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@H](n3ccnn3)C2)c1 ZINC000425518516 534889297 /nfs/dbraw/zinc/88/92/97/534889297.db2.gz VKAVAQPHKWEGPE-NSHDSACASA-N 0 1 291.315 0.720 20 5 CCBDMN CC(C)[C@](C)(CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000427399591 527948532 /nfs/dbraw/zinc/94/85/32/527948532.db2.gz NRIRUMSULFEQAO-JTQLQIEISA-N 0 1 256.262 0.455 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](OC)C2)c1[N+](=O)[O-] ZINC000456370613 528546133 /nfs/dbraw/zinc/54/61/33/528546133.db2.gz LLQGRIUSUBOURP-RKDXNWHRSA-N 0 1 298.299 0.102 20 5 CCBDMN CCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356453351 535536220 /nfs/dbraw/zinc/53/62/20/535536220.db2.gz ZNVPKMRUPFDLEE-SECBINFHSA-N 0 1 281.316 0.542 20 5 CCBDMN CC[C@H](O)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343849195 535964285 /nfs/dbraw/zinc/96/42/85/535964285.db2.gz XZGDBXBRNQLEIU-ZETCQYMHSA-N 0 1 256.262 0.599 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000341794534 535997249 /nfs/dbraw/zinc/99/72/49/535997249.db2.gz YYJIHHUXIYRVDF-IUCAKERBSA-N 0 1 282.300 0.866 20 5 CCBDMN O=C(NC[C@H](O)c1ccco1)c1n[nH]cc1[N+](=O)[O-] ZINC000763277389 581749804 /nfs/dbraw/zinc/74/98/04/581749804.db2.gz SSSSGNAUNHJSJU-ZETCQYMHSA-N 0 1 266.213 0.374 20 5 CCBDMN CCc1cc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)n[nH]1 ZINC000732793373 581849006 /nfs/dbraw/zinc/84/90/06/581849006.db2.gz RMXMFIVDVPDJSX-UHFFFAOYSA-N 0 1 292.299 0.702 20 5 CCBDMN Cc1nn(C[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000821216453 598225508 /nfs/dbraw/zinc/22/55/08/598225508.db2.gz BDDSOQUWFKUHCU-QMMMGPOBSA-N 0 1 254.246 0.464 20 5 CCBDMN Cc1nn(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000821216453 598225509 /nfs/dbraw/zinc/22/55/09/598225509.db2.gz BDDSOQUWFKUHCU-QMMMGPOBSA-N 0 1 254.246 0.464 20 5 CCBDMN C[C@@H]([NH3+])C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122201165 617176740 /nfs/dbraw/zinc/17/67/40/617176740.db2.gz GSDHOPOSPGZDTI-ZCFIWIBFSA-N 0 1 277.277 0.359 20 5 CCBDMN C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1NC(=O)[O-] ZINC000826056064 603709351 /nfs/dbraw/zinc/70/93/51/603709351.db2.gz ASTSHVBKVMPIAY-VHSXEESVSA-N 0 1 297.315 0.769 20 5 CCBDMN O=C([O-])N[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834190107 605819036 /nfs/dbraw/zinc/81/90/36/605819036.db2.gz RKZYWDBDUVINPF-ZYHUDNBSSA-N 0 1 295.295 0.970 20 5 CCBDMN O=C([O-])N[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834190107 605819037 /nfs/dbraw/zinc/81/90/37/605819037.db2.gz RKZYWDBDUVINPF-ZYHUDNBSSA-N 0 1 295.295 0.970 20 5 CCBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](CO)[C@H](CO)C1 ZINC000879695976 617217715 /nfs/dbraw/zinc/21/77/15/617217715.db2.gz YQESDWDZTJDBNM-TXEJJXNPSA-N 0 1 296.323 0.636 20 5 CCBDMN CCCCOC(=O)C(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000847221288 614430587 /nfs/dbraw/zinc/43/05/87/614430587.db2.gz BSCVXQGBFHTLRG-RKDXNWHRSA-N 0 1 272.301 0.890 20 5 CCBDMN COc1ccc(C[C@@](C)(CO)NCC[N+](=O)[O-])cc1OC ZINC000933451134 617263014 /nfs/dbraw/zinc/26/30/14/617263014.db2.gz VWUGDHYDPCXESQ-AWEZNQCLSA-N 0 1 298.339 0.864 20 5 CCBDMN CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000856239259 613936605 /nfs/dbraw/zinc/93/66/05/613936605.db2.gz RQPLZPXVBMRSEU-HBNTYKKESA-N 0 1 283.328 0.415 20 5 CCBDMN CC(C)(O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000827760742 614175454 /nfs/dbraw/zinc/17/54/54/614175454.db2.gz WLVGAOBZKKQRLI-NXEZZACHSA-N 0 1 256.302 0.661 20 5 CCBDMN CC1(C)CN(C(=O)C2CC2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840411209 614583844 /nfs/dbraw/zinc/58/38/44/614583844.db2.gz GQQMCSPZYPPGLJ-GHMZBOCLSA-N 0 1 295.339 0.511 20 5 CCBDMN CCOC(=O)C1=CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000862882571 615163230 /nfs/dbraw/zinc/16/32/30/615163230.db2.gz ATYGTGWGZUZYAQ-OPRDCNLKSA-N 0 1 268.269 0.420 20 5 CCBDMN CCOC(=O)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839714164 615175920 /nfs/dbraw/zinc/17/59/20/615175920.db2.gz XWSWRHFEUYWDLI-NXEZZACHSA-N 0 1 270.285 0.596 20 5 CCBDMN CCOC(=O)[C@H](CC1CC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840378036 615351607 /nfs/dbraw/zinc/35/16/07/615351607.db2.gz PFQIZIMIFZBHBW-KXUCPTDWSA-N 0 1 270.285 0.500 20 5 CCBDMN CCOc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C(N)=O)c1 ZINC000840356496 615511796 /nfs/dbraw/zinc/51/17/96/615511796.db2.gz JKWNHGXLUWZVNI-MWLCHTKSSA-N 0 1 293.279 0.788 20 5 CCBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000839762721 615560095 /nfs/dbraw/zinc/56/00/95/615560095.db2.gz UVZHOWVLWDKMHK-IXDJSTIMSA-N 0 1 274.342 0.410 20 5 CCBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000839697009 615560100 /nfs/dbraw/zinc/56/01/00/615560100.db2.gz WNEBSTKQWIAALB-FDYHWXHSSA-N 0 1 297.355 0.900 20 5 CCBDMN CN(C(=O)C(C)(C)F)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953513395 615766170 /nfs/dbraw/zinc/76/61/70/615766170.db2.gz XHYGHAYVJSSRAZ-RKDXNWHRSA-N 0 1 287.291 0.069 20 5 CCBDMN CN(C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000840672124 615817681 /nfs/dbraw/zinc/81/76/81/615817681.db2.gz DCRYJEMRBNAZRW-GHMZBOCLSA-N 0 1 284.312 0.986 20 5 CCBDMN CC[C@H](O)[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000912113367 615843741 /nfs/dbraw/zinc/84/37/41/615843741.db2.gz LSPMGYNCGJGITR-DBIOUOCHSA-N 0 1 256.302 0.804 20 5 CCBDMN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000852497177 616162879 /nfs/dbraw/zinc/16/28/79/616162879.db2.gz VZJOXVBWOZXYFK-KBPBESRZSA-N 0 1 296.323 0.975 20 5 CCBDMN COC(=O)C(C)(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839763189 616335496 /nfs/dbraw/zinc/33/54/96/616335496.db2.gz LBYZZWOFRNSRDB-HTQZYQBOSA-N 0 1 258.274 0.357 20 5 CCBDMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000913538116 616367325 /nfs/dbraw/zinc/36/73/25/616367325.db2.gz YRKMMSDWHWGDRU-AOOOYVTPSA-N 0 1 279.300 0.096 20 5 CCBDMN COCCOc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000839521768 616595500 /nfs/dbraw/zinc/59/55/00/616595500.db2.gz QXIUPQUQQXUAMC-NXEZZACHSA-N 0 1 281.268 0.711 20 5 CCBDMN CNC(=O)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840442608 616671084 /nfs/dbraw/zinc/67/10/84/616671084.db2.gz OOSRURPZQNDAAG-IJLUTSLNSA-N 0 1 291.307 0.645 20 5 CCBDMN COC[C@]1(CNCC[N+](=O)[O-])OCCc2ccccc21 ZINC000905262381 616874711 /nfs/dbraw/zinc/87/47/11/616874711.db2.gz WSMDAYDENPIMRV-AWEZNQCLSA-N 0 1 280.324 0.967 20 5 CCBDMN COC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000839688031 617013320 /nfs/dbraw/zinc/01/33/20/617013320.db2.gz KAQKNKKVUWALGS-BWZBUEFSSA-N 0 1 258.274 0.356 20 5 CCBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC=CC1 ZINC000973974139 625382690 /nfs/dbraw/zinc/38/26/90/625382690.db2.gz NQXHJJOFLHJNEZ-WRWGMCAJSA-N 0 1 293.323 0.381 20 5 CCBDMN Cc1nn(C)c(C)c1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000893315930 625451573 /nfs/dbraw/zinc/45/15/73/625451573.db2.gz IUIRJBFCKUQOLK-PSASIEDQSA-N 0 1 253.258 0.745 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000892318887 622848189 /nfs/dbraw/zinc/84/81/89/622848189.db2.gz IKJQIXINBRPLPP-ZYHUDNBSSA-N 0 1 295.343 0.364 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2COCCN2)n1 ZINC000235913817 623430102 /nfs/dbraw/zinc/43/01/02/623430102.db2.gz RELNFLZJKKWBBY-SECBINFHSA-N 0 1 252.274 0.699 20 5 CCBDMN CCC(=O)N[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001021743267 624817544 /nfs/dbraw/zinc/81/75/44/624817544.db2.gz MZAQRSOIAJKJAJ-DTORHVGOSA-N 0 1 281.316 0.475 20 5 CCBDMN CC(C)(F)C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001009785133 630766460 /nfs/dbraw/zinc/76/64/60/630766460.db2.gz WFWNULUTRNDPRB-RKDXNWHRSA-N 0 1 287.291 0.071 20 5 CCBDMN Cc1cccc(OC[C@H](O)CNCC[N+](=O)[O-])c1 ZINC000905341162 634850105 /nfs/dbraw/zinc/85/01/05/634850105.db2.gz KQVPLBBXAUWQCB-LLVKDONJSA-N 0 1 254.286 0.601 20 5 CCBDMN Cc1cccc(CNC(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840671615 631672604 /nfs/dbraw/zinc/67/26/04/631672604.db2.gz XRMBEEGHIHSMLG-VXGBXAGGSA-N 0 1 292.291 0.820 20 5 CCBDMN O=C(N[C@H]1CCc2ncsc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000910845348 635846864 /nfs/dbraw/zinc/84/68/64/635846864.db2.gz IWSVHKRQHNJOMI-LKEWCRSYSA-N 0 1 267.310 0.782 20 5 CCBDMN CC1(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC=CC1 ZINC000999059017 638956826 /nfs/dbraw/zinc/95/68/26/638956826.db2.gz GGFOCMYGKPMKPP-GHMZBOCLSA-N 0 1 293.323 0.335 20 5 CCBDMN O=C(N[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839603628 640345078 /nfs/dbraw/zinc/34/50/78/640345078.db2.gz BQTHKEUEAFKZCI-XLPZGREQSA-N 0 1 281.234 0.404 20 5 CCBDMN C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1(C)OCCO1 ZINC000839688321 640350200 /nfs/dbraw/zinc/35/02/00/640350200.db2.gz NKLDVZUNVXRMGO-IVZWLZJFSA-N 0 1 272.301 0.557 20 5 CCBDMN Cc1nsc(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000839694769 640352136 /nfs/dbraw/zinc/35/21/36/640352136.db2.gz ZGYLANNNNIMXRP-RKDXNWHRSA-N 0 1 297.340 0.160 20 5 CCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CCCCC1 ZINC000839704641 640354842 /nfs/dbraw/zinc/35/48/42/640354842.db2.gz CIPNFDKSBQOJFS-GHMZBOCLSA-N 0 1 298.343 0.400 20 5 CCBDMN Cc1nnc([C@H]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]1 ZINC000839703472 640355254 /nfs/dbraw/zinc/35/52/54/640355254.db2.gz FJRWQGOSFMJZJD-IVZWLZJFSA-N 0 1 279.300 0.484 20 5 CCBDMN Cc1ccccc1C[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839733726 640355365 /nfs/dbraw/zinc/35/53/65/640355365.db2.gz NJJBYHXWJCSOLQ-YNEHKIRRSA-N 0 1 278.308 0.680 20 5 CCBDMN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839763012 640359947 /nfs/dbraw/zinc/35/99/47/640359947.db2.gz IWJYDQRJFCMONY-XUTVFYLZSA-N 0 1 282.218 0.830 20 5 CCBDMN O=C(NC[C@H](CO)CC1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839753260 640362094 /nfs/dbraw/zinc/36/20/94/640362094.db2.gz NHVJNQUHFJNPSH-IJLUTSLNSA-N 0 1 270.329 0.957 20 5 CCBDMN O=C(N[C@H]1COc2ccc(F)cc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839776889 640364094 /nfs/dbraw/zinc/36/40/94/640364094.db2.gz NQEZUDUPHLLLBB-GMTAPVOTSA-N 0 1 280.255 0.911 20 5 CCBDMN CS(=O)(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839782002 640364948 /nfs/dbraw/zinc/36/49/48/640364948.db2.gz DCOVAVCQYHSMMM-IVZWLZJFSA-N 0 1 290.341 0.077 20 5 CCBDMN O=C(Nc1cccc(CCO)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839792291 640371487 /nfs/dbraw/zinc/37/14/87/640371487.db2.gz KFWKWLNHASVPBX-GHMZBOCLSA-N 0 1 250.254 0.825 20 5 CCBDMN O=C(NC[C@@H](CO)c1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839854568 640496698 /nfs/dbraw/zinc/49/66/98/640496698.db2.gz VEBADMKDGPXXRY-MVWJERBFSA-N 0 1 282.271 0.683 20 5 CCBDMN CS(=O)(=O)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818963024 641368742 /nfs/dbraw/zinc/36/87/42/641368742.db2.gz DIORDFBGDGQCDP-NSHDSACASA-N 0 1 288.325 0.262 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000819566707 641420691 /nfs/dbraw/zinc/42/06/91/641420691.db2.gz FFTLAEQHHDFQLN-KAZBKCHUSA-N 0 1 256.180 0.080 20 5 CCBDMN O=C(N[C@@H]1CCOC2(CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000819800132 641433718 /nfs/dbraw/zinc/43/37/18/641433718.db2.gz QIZQISXFSIVPMY-GMTAPVOTSA-N 0 1 284.312 0.496 20 5 CCBDMN C[C@H](CO)N(CC1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840426817 641575073 /nfs/dbraw/zinc/57/50/73/641575073.db2.gz YYEXJMPFEJWRAG-FBIMIBRVSA-N 0 1 256.302 0.661 20 5 CCBDMN O=[N+]([O-])c1cc([N+](=O)[O-])n(CCN2CCCC2)n1 ZINC000829842322 642200103 /nfs/dbraw/zinc/20/01/03/642200103.db2.gz JDDFSRJUWSBCTI-UHFFFAOYSA-N 0 1 255.234 0.795 20 5 CCBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCNC(=O)C1 ZINC000837571954 642753649 /nfs/dbraw/zinc/75/36/49/642753649.db2.gz HIJNTKVZPFAAHB-QMMMGPOBSA-N 0 1 294.263 0.870 20 5 CCBDMN COC(=O)c1ccc(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000840673857 642787022 /nfs/dbraw/zinc/78/70/22/642787022.db2.gz BIJKLUBVUZYXHH-RNFRBKRXSA-N 0 1 297.219 0.457 20 5 CCBDMN NC(=O)c1ccccc1OCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842310963 642890923 /nfs/dbraw/zinc/89/09/23/642890923.db2.gz QGDVFWYMCLLDMS-NXEZZACHSA-N 0 1 294.263 0.373 20 5 CCBDMN O=C(OC1CCC2(CC1)OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000842328233 642891416 /nfs/dbraw/zinc/89/14/16/642891416.db2.gz OJLJAPFSQPEXRG-NXEZZACHSA-N 0 1 271.269 0.881 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2cc(Cl)nnc2C1 ZINC000843626071 643100284 /nfs/dbraw/zinc/10/02/84/643100284.db2.gz CACMYEIDDZSDLU-VXNVDRBHSA-N 0 1 282.687 0.680 20 5 CCBDMN Cc1noc([C@H](C)N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000847209093 643493988 /nfs/dbraw/zinc/49/39/88/643493988.db2.gz DLENRILGFYMYFR-UIISKDMLSA-N 0 1 254.246 0.563 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1C=CCC1 ZINC000849429304 643740770 /nfs/dbraw/zinc/74/07/70/643740770.db2.gz NBFGKNRYYTXVOM-QMMMGPOBSA-N 0 1 269.282 0.987 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H](CC(F)(F)F)C1 ZINC000856356474 644413601 /nfs/dbraw/zinc/41/36/01/644413601.db2.gz OPDWKNIMWDSMLK-BWZBUEFSSA-N 0 1 282.218 0.831 20 5 CCBDMN O=C(NCCCn1cnc([N+](=O)[O-])c1)C(F)(F)F ZINC000122791125 645929135 /nfs/dbraw/zinc/92/91/35/645929135.db2.gz NJVZPQLCEKLYCJ-UHFFFAOYSA-N 0 1 266.179 0.860 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000871198088 646119354 /nfs/dbraw/zinc/11/93/54/646119354.db2.gz RCNZOGIBFXXLPW-MJDLHHQISA-N 0 1 268.313 0.804 20 5 CCBDMN C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CCN1C ZINC000878316560 646891230 /nfs/dbraw/zinc/89/12/30/646891230.db2.gz IVJLRDRBEPNMKZ-VIFPVBQESA-N 0 1 253.306 0.464 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCc2ncncc2C1 ZINC000880598362 647238601 /nfs/dbraw/zinc/23/86/01/647238601.db2.gz ORPFBMVOBZJCCM-UHFFFAOYSA-N 0 1 288.311 0.948 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H](O)CC2(CCOCC2)C1 ZINC000882955098 647468430 /nfs/dbraw/zinc/46/84/30/647468430.db2.gz CNEKMNYORZBVSS-HBNTYKKESA-N 0 1 284.312 0.042 20 5 CCBDMN O=C(N[C@H](C1CC1)[C@H]1CCCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000885490969 647858206 /nfs/dbraw/zinc/85/82/06/647858206.db2.gz OLOWQGKOLRUXMJ-IRCOFANPSA-N 0 1 268.313 0.973 20 5 CCBDMN C[C@@H]1[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CCN1C ZINC000928438794 648634178 /nfs/dbraw/zinc/63/41/78/648634178.db2.gz HKSVAUOSMAYLCY-HTQZYQBOSA-N 0 1 267.289 0.151 20 5 CCBDMN O=C(NCC1CCN(CC[N+](=O)[O-])CC1)C(F)(F)F ZINC000930309925 648847187 /nfs/dbraw/zinc/84/71/87/648847187.db2.gz YHBAETMRHQBAOM-UHFFFAOYSA-N 0 1 283.250 0.654 20 5 CCBDMN C[C@@](CO)(Cc1ccc(F)cc1)NCC[N+](=O)[O-] ZINC000933449611 649123275 /nfs/dbraw/zinc/12/32/75/649123275.db2.gz PTQWLIYKBAOBER-LBPRGKRZSA-N 0 1 256.277 0.986 20 5 CCBDMN COc1cc(N2C[C@H]3OCCN(C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164664350 719388104 /nfs/dbraw/zinc/38/81/04/719388104.db2.gz BHLHAXWNEACCPP-ZYHUDNBSSA-N 0 1 294.311 0.518 20 5 CCBDMN Cc1nc(N2C[C@@H]3[C@H](C2)OCCN3C)ncc1[N+](=O)[O-] ZINC001164671076 719472704 /nfs/dbraw/zinc/47/27/04/719472704.db2.gz ZLXKJAROGONFSH-MNOVXSKESA-N 0 1 279.300 0.212 20 5 CCBDMN Cc1c[n+]([O-])c(N[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC001167270047 790767884 /nfs/dbraw/zinc/76/78/84/790767884.db2.gz LGOVQICIBINKAU-VIFPVBQESA-N 0 1 252.274 0.653 20 5 CCBDMN Cc1nc(C(N)=O)c(O[C@@H](C)C[N+](C)(C)C)c(=O)[n-]1 ZINC001234479259 806258341 /nfs/dbraw/zinc/25/83/41/806258341.db2.gz YDTBYFHJNDFIRB-ZETCQYMHSA-O 0 1 269.325 0.063 20 5 CCBDMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCNC[C@H]1CO ZINC001122123862 799149498 /nfs/dbraw/zinc/14/94/98/799149498.db2.gz CMENUCXCKFURAW-VIFPVBQESA-N 0 1 283.259 0.140 20 5 CCBDMN C[C@@H]1CN2CCN1C[C@H]2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001123472668 799416035 /nfs/dbraw/zinc/41/60/35/799416035.db2.gz GYNHJVSTJZCUNL-MFKMUULPSA-N 0 1 290.323 0.922 20 5 CCBDMN O=C(NCCOc1ccccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000839467201 800024429 /nfs/dbraw/zinc/02/44/29/800024429.db2.gz PJTXRWNWXGKDPS-PSASIEDQSA-N 0 1 268.244 0.986 20 5 CCBDMN Cc1ncccc1NC(=O)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839791382 800030624 /nfs/dbraw/zinc/03/06/24/800030624.db2.gz JUFBSVDJQNZDQH-IQJOONFLSA-N 0 1 292.295 0.498 20 5 CCBDMN Cc1c[nH]c(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)n1 ZINC001153055949 800589033 /nfs/dbraw/zinc/58/90/33/800589033.db2.gz KEBKFVCTSNHDRF-RKDXNWHRSA-N 0 1 264.285 0.879 20 5 CCBDMN O=C(NCCc1ccns1)c1n[nH]cc1[N+](=O)[O-] ZINC001153443747 800631992 /nfs/dbraw/zinc/63/19/92/800631992.db2.gz PMRGIVHHHHXJQR-UHFFFAOYSA-N 0 1 267.270 0.747 20 5 CCBDMN COC(=O)[C@@H](N)C1CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001155153934 800920609 /nfs/dbraw/zinc/92/06/09/800920609.db2.gz IFHWUZVHRJBLEN-LBPRGKRZSA-N 0 1 294.311 0.707 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2nc(Cl)ncc2[N+](=O)[O-])S1 ZINC001155837504 801062225 /nfs/dbraw/zinc/06/22/25/801062225.db2.gz OABYWNBSSSAKAQ-YFKPBYRVSA-N 0 1 289.660 0.759 20 5 CCBDMN Cc1nc(NC(=N)N2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001157916197 801520003 /nfs/dbraw/zinc/52/00/03/801520003.db2.gz NPKYEPBXQSKTOA-UHFFFAOYSA-N 0 1 279.304 0.287 20 5 CCBDMN COc1nc(N2CCN3CC[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001158423923 801643864 /nfs/dbraw/zinc/64/38/64/801643864.db2.gz OQOJBQNIZRBSFT-MRVPVSSYSA-N 0 1 295.299 0.296 20 5 CCBDMN CCOc1nc(NC[C@@H]2COCCN2)ccc1[N+](=O)[O-] ZINC001159044701 801749997 /nfs/dbraw/zinc/74/99/97/801749997.db2.gz ZCIUASBPHLVJHJ-SECBINFHSA-N 0 1 282.300 0.789 20 5 CCBDMN Cc1noc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)n1 ZINC001159356928 801795758 /nfs/dbraw/zinc/79/57/58/801795758.db2.gz JQULKTUSGFUALL-UHFFFAOYSA-N 0 1 278.228 0.428 20 5 CCBDMN CC[C@](N)(CO)Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001159743758 801860211 /nfs/dbraw/zinc/86/02/11/801860211.db2.gz LRCHRXWXDXZXBX-LLVKDONJSA-N 0 1 265.273 0.940 20 5 CCBDMN Cc1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc(=O)[nH]1 ZINC001162323187 802318774 /nfs/dbraw/zinc/31/87/74/802318774.db2.gz RCAJHXIHLNLDPI-RKDXNWHRSA-N 0 1 251.242 0.377 20 5 CCBDMN Cc1nnc(CN)n1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001163346950 802540477 /nfs/dbraw/zinc/54/04/77/802540477.db2.gz WIZMIHAELGYJOF-UHFFFAOYSA-N 0 1 268.664 0.991 20 5 CCBDMN Cc1nnc(CN)n1-c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001163348633 802541977 /nfs/dbraw/zinc/54/19/77/802541977.db2.gz KUMVSKGTBNPHKJ-UHFFFAOYSA-N 0 1 262.273 0.954 20 5 CCBDMN CN(C1CN(c2ccc([N+](=O)[O-])c(N)n2)C1)[C@@H]1CCOC1 ZINC001165205939 802796187 /nfs/dbraw/zinc/79/61/87/802796187.db2.gz ZGYFAKUEZOTWOB-SECBINFHSA-N 0 1 293.327 0.481 20 5 CCBDMN N[C@@H]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1(F)F ZINC001166960396 802994867 /nfs/dbraw/zinc/99/48/67/802994867.db2.gz PFLXASHECTWZFK-MRVPVSSYSA-N 0 1 274.227 0.401 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2C[C@H](O)C2)cc1O ZINC001218361873 803950889 /nfs/dbraw/zinc/95/08/89/803950889.db2.gz LPVUUWAFHRGELF-LJGSYFOKSA-N 0 1 283.236 0.989 20 5 CCBDMN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2NCC[C@H]2O)n1 ZINC001212074512 814998069 /nfs/dbraw/zinc/99/80/69/814998069.db2.gz RKKSGSAMELOUFF-APPZFPTMSA-N 0 1 295.230 0.574 20 5 CCBDMN CN1CCN(CCO[C@H](C[N+](=O)[O-])C2CC2)CC1 ZINC001224548365 805048752 /nfs/dbraw/zinc/04/87/52/805048752.db2.gz AXFDLRZZIWXSQG-GFCCVEGCSA-N 0 1 257.334 0.306 20 5 CCBDMN C[C@@H](C[N+](C)(C)C)Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1 ZINC001227430428 805348460 /nfs/dbraw/zinc/34/84/60/805348460.db2.gz KXDCJIVBHPCWML-LURJTMIESA-O 0 1 268.297 0.238 20 5 CCBDMN C[C@@H](C[N+](C)(C)C)Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O ZINC001227430428 805348465 /nfs/dbraw/zinc/34/84/65/805348465.db2.gz KXDCJIVBHPCWML-LURJTMIESA-O 0 1 268.297 0.238 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C/C=C/Cl)C1 ZINC001042710219 815069928 /nfs/dbraw/zinc/06/99/28/815069928.db2.gz AIXPFXYFJRRKIQ-HLKOZVMDSA-N 0 1 273.720 0.547 20 5 CCBDMN CC[C@@H](O)C(=O)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228241472 805424519 /nfs/dbraw/zinc/42/45/19/805424519.db2.gz CISYHMMMZMIUBH-SECBINFHSA-N 0 1 293.235 0.920 20 5 CCBDMN Cc1nc(O[C@H]2C=C(C)OC(=O)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375354 805527044 /nfs/dbraw/zinc/52/70/44/805527044.db2.gz BJIIVPNUFPOXQZ-ZETCQYMHSA-N 0 1 281.224 0.997 20 5 CCBDMN Cc1nc(O[C@H](C[N+](=O)[O-])C2CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378757 805527196 /nfs/dbraw/zinc/52/71/96/805527196.db2.gz JSVQMKBQRBGDKH-SSDOTTSWSA-N 0 1 284.228 0.833 20 5 CCBDMN C[C@H](CC[S@](C)=O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001253838311 808154448 /nfs/dbraw/zinc/15/44/48/808154448.db2.gz HBKJNMHRMBOUMQ-DMWPKQFHSA-N 0 1 274.302 0.205 20 5 CCBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC(C(N)=O)C1 ZINC001254560911 808260096 /nfs/dbraw/zinc/26/00/96/808260096.db2.gz ZKAPRLZFOCFICI-VIFPVBQESA-N 0 1 263.297 0.943 20 5 CCBDMN CCOC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001126102841 812010345 /nfs/dbraw/zinc/01/03/45/812010345.db2.gz TUNMYTIQKPYTCB-IWSPIJDZSA-N 0 1 256.258 0.110 20 5 CCBDMN Cc1nnc(=S)[nH]c1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001227597291 814430984 /nfs/dbraw/zinc/43/09/84/814430984.db2.gz AXYOOVNKVCDIBQ-ZETCQYMHSA-N 0 1 256.287 0.903 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CN2CCC1CC2 ZINC001120691078 816190338 /nfs/dbraw/zinc/19/03/38/816190338.db2.gz NIEXLLYHEUKCFJ-SNVBAGLBSA-N 0 1 279.300 0.002 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])S1 ZINC001163663689 820170222 /nfs/dbraw/zinc/17/02/22/820170222.db2.gz ZXJJDHPFCQIUGH-SSDOTTSWSA-N 0 1 288.216 0.088 20 5 CCBDMN CCN(C(=O)CC(C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079236789 820331808 /nfs/dbraw/zinc/33/18/08/820331808.db2.gz YPBVYCJYNKANOU-VXGBXAGGSA-N 0 1 297.355 0.757 20 5 CCBDMN C/C=C(/C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079578292 820429159 /nfs/dbraw/zinc/42/91/59/820429159.db2.gz FJIRHJFPRFHUOE-LYWJNLOJSA-N 0 1 295.339 0.677 20 5 CCBDMN Cc1[nH]nc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)c1C ZINC000716184570 821566465 /nfs/dbraw/zinc/56/64/65/821566465.db2.gz AXFGQACFIUZWNK-UHFFFAOYSA-N 0 1 278.272 0.448 20 5 CCBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])n1cccn1 ZINC000828111320 821726956 /nfs/dbraw/zinc/72/69/56/821726956.db2.gz AHHAXXNTEFUQDG-RKDXNWHRSA-N 0 1 252.274 0.400 20 5 CCBDMN CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001066562274 822312712 /nfs/dbraw/zinc/31/27/12/822312712.db2.gz OIPGTXOSKGNKPH-NXEZZACHSA-N 0 1 271.317 0.369 20 5 CCBDMN NCc1nnnn1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001168923700 836056096 /nfs/dbraw/zinc/05/60/96/836056096.db2.gz CMNMFGLINVKBON-UHFFFAOYSA-N 0 1 271.240 0.577 20 5 CCBDMN COC(=O)[C@H](CCC(=O)[O-])[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168971360 836089649 /nfs/dbraw/zinc/08/96/49/836089649.db2.gz JRBIEOFTTYIJPI-BBBLOLIVSA-N 0 1 288.300 0.428 20 5 CCBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC3(C2)CS(=O)C3)C1 ZINC001169011527 836100371 /nfs/dbraw/zinc/10/03/71/836100371.db2.gz KPBBWZMRMJNXPX-NXEZZACHSA-N 0 1 258.343 0.496 20 5 CCBDMN O=C(C1CC1)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169023827 836114927 /nfs/dbraw/zinc/11/49/27/836114927.db2.gz FOUMAVBLYRNLRK-WCQYABFASA-N 0 1 281.356 0.986 20 5 CCBDMN COc1cnc(-n2[n-]c(=O)c(CC[NH3+])c2C)cc1[N+](=O)[O-] ZINC001170337827 837319049 /nfs/dbraw/zinc/31/90/49/837319049.db2.gz GQGADZPJDYLYCP-UHFFFAOYSA-N 0 1 293.283 0.699 20 5 CCBDMN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC2(CC1)OCCO2 ZINC001135030865 839142230 /nfs/dbraw/zinc/14/22/30/839142230.db2.gz CWPKKCSBWMQYEU-NXEZZACHSA-N 0 1 284.312 0.844 20 5 CCBDMN CC[C@](N)(CO)Nc1ncc(OC)cc1[N+](=O)[O-] ZINC001159744507 839566140 /nfs/dbraw/zinc/56/61/40/839566140.db2.gz XKHKIBAYXSZREE-SNVBAGLBSA-N 0 1 256.262 0.468 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)c2cc([N+](=O)[O-])cc(C)n2)n1 ZINC001136631506 839684936 /nfs/dbraw/zinc/68/49/36/839684936.db2.gz VCGJVLXLQZBNOT-UHFFFAOYSA-N 0 1 290.283 0.697 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](O)[C@H](CO)C1 ZINC001171232098 840163611 /nfs/dbraw/zinc/16/36/11/840163611.db2.gz VEYQWPLOYVSLRA-AAEUAGOBSA-N 0 1 296.323 0.649 20 5 CCBDMN CC(C)(O)[C@H](O)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196909849 846818346 /nfs/dbraw/zinc/81/83/46/846818346.db2.gz WRPWWUPMOMKJOH-OCCSQVGLSA-N 0 1 298.339 0.524 20 5 CCBDMN CCCC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073013259 854514957 /nfs/dbraw/zinc/51/49/57/854514957.db2.gz XJCJTMUYTUSBFR-GHMZBOCLSA-N 0 1 297.355 0.949 20 5 CCBDMN CCC(=O)N(C)CCNCc1c([N+](=O)[O-])ncn1C ZINC001481199011 892297165 /nfs/dbraw/zinc/29/71/65/892297165.db2.gz OMBTWAAJHLXLNJ-UHFFFAOYSA-N 0 1 269.305 0.286 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1Cc1nc(C(C)(C)N)no1 ZINC001326017942 913701918 /nfs/dbraw/zinc/70/19/18/913701918.db2.gz KCTUCCAMKZDCMT-UHFFFAOYSA-N 0 1 266.261 0.725 20 5 CCBDMN C/C=C(/C)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001290036312 906106480 /nfs/dbraw/zinc/10/64/80/906106480.db2.gz IGNATRJSPVOZEY-YIVIPLIISA-N 0 1 295.339 0.629 20 5 CCBDMN O=C(CCCF)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298396496 907235222 /nfs/dbraw/zinc/23/52/22/907235222.db2.gz JNXGYLMSQCLZFU-BSANDHCLSA-N 0 1 287.291 0.190 20 5 CCBDMN C[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)O1 ZINC001302413010 908022000 /nfs/dbraw/zinc/02/20/00/908022000.db2.gz OWWBKRPOHHMXEB-FSDSQADBSA-N 0 1 254.246 0.614 20 5 CCBDMN CCCCN(CCn1c(C)ncc1[N+](=O)[O-])CC(N)=O ZINC001307413801 908316756 /nfs/dbraw/zinc/31/67/56/908316756.db2.gz OEMPTFNQLIDUOG-UHFFFAOYSA-N 0 1 283.332 0.687 20 5 CCBDMN O=C(NCCN1CC=CC1)Nc1ccncc1[N+](=O)[O-] ZINC001319965646 910377389 /nfs/dbraw/zinc/37/73/89/910377389.db2.gz GCHGWDWQASCJRO-UHFFFAOYSA-N 0 1 277.284 0.405 20 5 CCBDMN Cc1nnc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1C1CC1 ZINC001320118390 910474487 /nfs/dbraw/zinc/47/44/87/910474487.db2.gz KDWCORXCGYAUAJ-UHFFFAOYSA-N 0 1 291.271 0.483 20 5 CCBDMN O=C(NCCN1CC=CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001330574314 916709289 /nfs/dbraw/zinc/70/92/89/916709289.db2.gz BRLYLAHKZFYSNI-CYBMUJFWSA-N 0 1 291.307 0.616 20 5 CCBDMN CC/C=C(\C)C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001348174775 924611588 /nfs/dbraw/zinc/61/15/88/924611588.db2.gz FLAUZAJTOSHPFW-LGSVWZNTSA-N 0 1 295.339 0.679 20 5 CCBDMN C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@](C)(O)C(=O)[O-] ZINC001349582479 924994741 /nfs/dbraw/zinc/99/47/41/924994741.db2.gz HIMIYMVDRAMQLA-GFCCVEGCSA-N 0 1 268.269 0.862 20 5 CCBDMN CC(=O)NCCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001350411380 925195755 /nfs/dbraw/zinc/19/57/55/925195755.db2.gz SASIFZUMYQKIKO-GHMZBOCLSA-N 0 1 271.317 0.464 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN2CCC1CC2 ZINC001353755148 925925448 /nfs/dbraw/zinc/92/54/48/925925448.db2.gz YILFBJBWZBVMLD-LLVKDONJSA-N 0 1 278.312 0.757 20 5 CCBDMN O=C(OCCN1CCCC1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001356004277 926333705 /nfs/dbraw/zinc/33/37/05/926333705.db2.gz ZXNGYFFSSTXYIW-UHFFFAOYSA-N 0 1 267.241 0.702 20 5 CCBDMN CNC(=O)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001357476391 926544261 /nfs/dbraw/zinc/54/42/61/926544261.db2.gz DMCJSLXAXWOREW-GHMZBOCLSA-N 0 1 277.280 0.328 20 5 CCBDMN Cc1cc(C(=O)N2CCNC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001358035942 926622677 /nfs/dbraw/zinc/62/26/77/926622677.db2.gz IFULYIQFHGJMIW-LLVKDONJSA-N 0 1 279.296 0.310 20 5 CCBDMN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCNC[C@H]1CO ZINC001358035269 926623754 /nfs/dbraw/zinc/62/37/54/926623754.db2.gz FXWRLFHRXDOIID-VIFPVBQESA-N 0 1 299.714 0.655 20 5 CCBDMN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(F)c(F)c1O ZINC001450982269 931370922 /nfs/dbraw/zinc/37/09/22/931370922.db2.gz DMPYKQJDRYKORS-UHFFFAOYSA-N 0 1 299.193 0.809 20 5 CCBDMN O=C([O-])[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001595164790 952205593 /nfs/dbraw/zinc/20/55/93/952205593.db2.gz XANAAJXAEMJUEN-SNVBAGLBSA-N 0 1 295.295 0.553 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000062935838 957629022 /nfs/dbraw/zinc/62/90/22/957629022.db2.gz NIFNLYGHDUCBRW-GFCCVEGCSA-N 0 1 282.300 0.896 20 5 CCBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000401899335 973503034 /nfs/dbraw/zinc/50/30/34/973503034.db2.gz CKSJGLWZPRTRAP-ZYHUDNBSSA-N 0 1 280.280 0.862 20 5 CCBDMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001604541855 973528978 /nfs/dbraw/zinc/52/89/78/973528978.db2.gz LATLPLYZJDGTCU-ZDUSSCGKSA-N 0 1 295.295 0.913 20 5 CCBDMN CN(C)CCN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175700179 282092405 /nfs/dbraw/zinc/09/24/05/282092405.db2.gz XSHXVUNSBWFQDB-UHFFFAOYSA-N 0 1 287.341 0.777 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000124742668 187151988 /nfs/dbraw/zinc/15/19/88/187151988.db2.gz NJRPNHUVZMKAPZ-LLVKDONJSA-N 0 1 292.339 0.851 20 5 CCBDMN O=C(COc1ccc([N+](=O)[O-])cc1)NCCN1CCC1 ZINC000337565717 214160811 /nfs/dbraw/zinc/16/08/11/214160811.db2.gz BDSIPRNYMZLEFG-UHFFFAOYSA-N 0 1 279.296 0.796 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(C)C2)n1 ZINC000617405705 365628130 /nfs/dbraw/zinc/62/81/30/365628130.db2.gz UWFAZXJXZVCAHV-SECBINFHSA-N 0 1 281.316 0.635 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCc2nc[nH]c2C1 ZINC000599952030 361841221 /nfs/dbraw/zinc/84/12/21/361841221.db2.gz KRIWAUWUQFRTSN-UHFFFAOYSA-N 0 1 262.229 0.240 20 5 CCBDMN C[C@@H](C[S@@](C)=O)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000126218111 187224902 /nfs/dbraw/zinc/22/49/02/187224902.db2.gz RCOOLAZSZUMTET-YYSFKGJASA-N 0 1 274.346 0.490 20 5 CCBDMN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3C[C@@H](O)C3)CC2)cn1 ZINC000573709158 334959909 /nfs/dbraw/zinc/95/99/09/334959909.db2.gz SHFFLWGZCOPFRC-BJHJDKERSA-N 0 1 292.339 0.883 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C[C@@H](C)O)CC1 ZINC000602773585 362793234 /nfs/dbraw/zinc/79/32/34/362793234.db2.gz SLHQUABWGNYBKZ-LLVKDONJSA-N 0 1 297.359 0.098 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCc2n[nH]cc2C1 ZINC000602796368 362804746 /nfs/dbraw/zinc/80/47/46/362804746.db2.gz FWERYPYSHKMLFU-UHFFFAOYSA-N 0 1 276.300 0.881 20 5 CCBDMN COCC[C@@]1(NCc2cn(C)nc2[N+](=O)[O-])CCOC1 ZINC000602819683 362818283 /nfs/dbraw/zinc/81/82/83/362818283.db2.gz UFRIZHOEHPDWCY-GFCCVEGCSA-N 0 1 284.316 0.614 20 5 CCBDMN COC[C@@H](N)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000262263546 137033813 /nfs/dbraw/zinc/03/38/13/137033813.db2.gz USGJHJUBBMRFHN-SNVBAGLBSA-N 0 1 297.267 0.294 20 5 CCBDMN O=C(NCCCN1CCCC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343046593 137111982 /nfs/dbraw/zinc/11/19/82/137111982.db2.gz BEAFWMFSSNMJAX-UHFFFAOYSA-N 0 1 281.272 0.060 20 5 CCBDMN C[C@@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCOC1 ZINC000343386343 137131696 /nfs/dbraw/zinc/13/16/96/137131696.db2.gz LQUKGMBAQQCIJL-JTQLQIEISA-N 0 1 254.246 0.474 20 5 CCBDMN O=C(N[C@@H](CO)[C@H]1CCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000344849280 137217073 /nfs/dbraw/zinc/21/70/73/137217073.db2.gz IBQRGTVEXNVKEZ-NWDGAFQWSA-N 0 1 296.279 0.570 20 5 CCBDMN O=C(COc1cccc([N+](=O)[O-])c1)NCc1nnc[nH]1 ZINC000037920710 348218925 /nfs/dbraw/zinc/21/89/25/348218925.db2.gz MZNIMLKYDCWYOS-UHFFFAOYSA-N 0 1 277.240 0.408 20 5 CCBDMN Cc1csc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000038091204 348225709 /nfs/dbraw/zinc/22/57/09/348225709.db2.gz LDOWLPCVHSRODF-JTQLQIEISA-N 0 1 297.340 0.707 20 5 CCBDMN CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CN2CCC1CC2 ZINC000347216523 137325733 /nfs/dbraw/zinc/32/57/33/137325733.db2.gz JQOJADRQISETIE-NSHDSACASA-N 0 1 293.327 0.495 20 5 CCBDMN O=[N+]([O-])c1cccc(CN2[C@H](CO)CC[C@H]2CO)c1 ZINC000347294451 137329092 /nfs/dbraw/zinc/32/90/92/137329092.db2.gz DEVKJEYTZAIUAW-STQMWFEESA-N 0 1 266.297 0.912 20 5 CCBDMN Cc1noc(C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000048919103 348429537 /nfs/dbraw/zinc/42/95/37/348429537.db2.gz OOBZNSZZNFCMRZ-NXEZZACHSA-N 0 1 280.284 0.749 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000089461348 349388597 /nfs/dbraw/zinc/38/85/97/349388597.db2.gz QDUDWULWGWOXHU-CBAPKCEASA-N 0 1 282.300 0.723 20 5 CCBDMN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nnc[nH]1 ZINC000128982186 350203442 /nfs/dbraw/zinc/20/34/42/350203442.db2.gz ARXDRTSCNOCHCM-SSDOTTSWSA-N 0 1 297.296 0.752 20 5 CCBDMN O=C1CCc2cc([N+](=O)[O-])c(NCc3nn[nH]n3)cc2N1 ZINC000134511477 350367002 /nfs/dbraw/zinc/36/70/02/350367002.db2.gz FGBDNGFKSFMMDB-UHFFFAOYSA-N 0 1 289.255 0.605 20 5 CCBDMN CC[N@H+]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000137946332 350439117 /nfs/dbraw/zinc/43/91/17/350439117.db2.gz IBLCWSZODAIGKI-QMMMGPOBSA-N 0 1 267.289 0.532 20 5 CCBDMN CCN1CCC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000137946332 350439118 /nfs/dbraw/zinc/43/91/18/350439118.db2.gz IBLCWSZODAIGKI-QMMMGPOBSA-N 0 1 267.289 0.532 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)CCOC)c1[N+](=O)[O-] ZINC000109619869 186267259 /nfs/dbraw/zinc/26/72/59/186267259.db2.gz ZPDDJBSEBVRCOB-UHFFFAOYSA-N 0 1 270.289 0.989 20 5 CCBDMN CCN1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1C ZINC000603147405 362975412 /nfs/dbraw/zinc/97/54/12/362975412.db2.gz ZWHQWJMISMSKRF-DTORHVGOSA-N 0 1 281.316 0.873 20 5 CCBDMN CNCc1cn(CCOc2ccccc2[N+](=O)[O-])nn1 ZINC000603199453 362997028 /nfs/dbraw/zinc/99/70/28/362997028.db2.gz BBTGLZBTKSSPSU-UHFFFAOYSA-N 0 1 277.284 0.985 20 5 CCBDMN O=[N+]([O-])c1ccccc1CN1C[C@@H](O)C[C@H]1CO ZINC000186540414 351502826 /nfs/dbraw/zinc/50/28/26/351502826.db2.gz WCGIMIKQLRVZRF-QWRGUYRKSA-N 0 1 252.270 0.522 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C)C1 ZINC000188449700 351596794 /nfs/dbraw/zinc/59/67/94/351596794.db2.gz CBKHDEYRYHAMNU-MRVPVSSYSA-N 0 1 264.285 0.732 20 5 CCBDMN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000189389153 351674509 /nfs/dbraw/zinc/67/45/09/351674509.db2.gz VPBWMDYJNSOOSP-BHNWBGBOSA-N 0 1 266.257 0.615 20 5 CCBDMN O=C(NCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000122896130 187058200 /nfs/dbraw/zinc/05/82/00/187058200.db2.gz XJZFIZGUBKMVCO-UHFFFAOYSA-N 0 1 294.311 0.911 20 5 CCBDMN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000123371761 187087892 /nfs/dbraw/zinc/08/78/92/187087892.db2.gz GUTHHGRKPBVSMJ-RNFRBKRXSA-N 0 1 283.288 0.351 20 5 CCBDMN CCCN(CCO)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000195415437 351912039 /nfs/dbraw/zinc/91/20/39/351912039.db2.gz MTYLALYHGPIRBD-UHFFFAOYSA-N 0 1 270.289 0.725 20 5 CCBDMN CN1CCN(C)[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000225345398 352001895 /nfs/dbraw/zinc/00/18/95/352001895.db2.gz JMGHJRCOEAJUAE-JTQLQIEISA-N 0 1 265.317 0.648 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1ccc([N+](=O)[O-])cc1F ZINC000236137600 352192660 /nfs/dbraw/zinc/19/26/60/352192660.db2.gz NCDAARXAVKMUSP-MRVPVSSYSA-N 0 1 283.259 0.452 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000248389024 352437331 /nfs/dbraw/zinc/43/73/31/352437331.db2.gz FURRCTLVIIWOOV-YNEHKIRRSA-N 0 1 282.296 0.056 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H](O)C[C@H]2CO)c1 ZINC000248389024 352437334 /nfs/dbraw/zinc/43/73/34/352437334.db2.gz FURRCTLVIIWOOV-YNEHKIRRSA-N 0 1 282.296 0.056 20 5 CCBDMN CCC[C@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270702671 352970208 /nfs/dbraw/zinc/97/02/08/352970208.db2.gz CEWGIRCLGICJMF-JTQLQIEISA-N 0 1 256.262 0.599 20 5 CCBDMN CN(C)c1ccc(CNC(=O)c2[n-]ncc2[N+](=O)[O-])c[nH+]1 ZINC000270597440 352954800 /nfs/dbraw/zinc/95/48/00/352954800.db2.gz KFJYRKLQFLZIBZ-UHFFFAOYSA-N 0 1 290.283 0.709 20 5 CCBDMN Cc1ccc([C@@H](O)CNC(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC000270840736 352994365 /nfs/dbraw/zinc/99/43/65/352994365.db2.gz VEOOCUJVCZJXCX-QMMMGPOBSA-N 0 1 280.240 0.683 20 5 CCBDMN CN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C(C)(C)C1 ZINC000270953811 353007306 /nfs/dbraw/zinc/00/73/06/353007306.db2.gz VWTBHOYQWIQHEO-UHFFFAOYSA-N 0 1 281.316 0.344 20 5 CCBDMN COC[C@H](O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272644631 353081972 /nfs/dbraw/zinc/08/19/72/353081972.db2.gz FBXSTPQFNARUGS-SNVBAGLBSA-N 0 1 284.268 0.428 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000291053285 353765398 /nfs/dbraw/zinc/76/53/98/353765398.db2.gz NRJXQLATANLKMC-SSDOTTSWSA-N 0 1 270.289 0.894 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC(=O)N1 ZINC000296442733 353947465 /nfs/dbraw/zinc/94/74/65/353947465.db2.gz YVLJUXFSIFTEDS-ZETCQYMHSA-N 0 1 279.252 0.261 20 5 CCBDMN C[C@]1(CO)CCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000305696478 354151469 /nfs/dbraw/zinc/15/14/69/354151469.db2.gz CBKYGZIIXXRCHP-GZMMTYOYSA-N 0 1 268.273 0.599 20 5 CCBDMN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1n[nH]cc1[N+](=O)[O-] ZINC000305727572 354156042 /nfs/dbraw/zinc/15/60/42/354156042.db2.gz JRHKPBSTPOGPKM-WDEREUQCSA-N 0 1 288.263 0.706 20 5 CCBDMN CC(C)[C@@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000305754584 354159899 /nfs/dbraw/zinc/15/98/99/354159899.db2.gz WJTXJMIOOAEHBW-JTQLQIEISA-N 0 1 256.262 0.455 20 5 CCBDMN C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000330455505 354366031 /nfs/dbraw/zinc/36/60/31/354366031.db2.gz OESSTZJAPLLWJI-LLVKDONJSA-N 0 1 295.339 0.799 20 5 CCBDMN CC[C@]1(C)COCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330541696 354402315 /nfs/dbraw/zinc/40/23/15/354402315.db2.gz YGEUFRHYWARXBL-CHWSQXEVSA-N 0 1 298.343 0.653 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CN(C)CCN1C ZINC000336847364 355215489 /nfs/dbraw/zinc/21/54/89/355215489.db2.gz DSFWCQKHBLTPHO-NSHDSACASA-N 0 1 296.375 0.777 20 5 CCBDMN CO[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341576266 355696662 /nfs/dbraw/zinc/69/66/62/355696662.db2.gz KPVRBODUXONYNH-LLVKDONJSA-N 0 1 267.285 0.477 20 5 CCBDMN CCOC(=O)CCN(C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000345590125 355859376 /nfs/dbraw/zinc/85/93/76/355859376.db2.gz IAZPRNNOAMNFJN-UHFFFAOYSA-N 0 1 298.299 0.906 20 5 CCBDMN Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)n[nH]1 ZINC000353303319 356199110 /nfs/dbraw/zinc/19/91/10/356199110.db2.gz IUTNNHPKJDYGDT-RXMQYKEDSA-N 0 1 264.245 0.840 20 5 CCBDMN CN(C)C(=O)Cn1cc(Nc2ncc([N+](=O)[O-])cn2)cn1 ZINC000354592327 356447668 /nfs/dbraw/zinc/44/76/68/356447668.db2.gz XMWQCJFUPGPQBI-UHFFFAOYSA-N 0 1 291.271 0.413 20 5 CCBDMN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])cn2C)n[nH]1 ZINC000609595113 363507539 /nfs/dbraw/zinc/50/75/39/363507539.db2.gz NHISYAQMYMFGGW-UHFFFAOYSA-N 0 1 263.257 0.895 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCc1nc[nH]n1 ZINC000560712040 291111609 /nfs/dbraw/zinc/11/16/09/291111609.db2.gz UJTWAJSQIAANRS-UHFFFAOYSA-N 0 1 290.283 0.779 20 5 CCBDMN CC(C)(CO)C(C)(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000359502622 356834286 /nfs/dbraw/zinc/83/42/86/356834286.db2.gz VBJPBRQRRMAGTP-UHFFFAOYSA-N 0 1 270.289 0.845 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000364318290 357108984 /nfs/dbraw/zinc/10/89/84/357108984.db2.gz IBHFFDRZDLXFMB-YNEHKIRRSA-N 0 1 298.339 0.838 20 5 CCBDMN O=[N+]([O-])c1cnc(NC[C@H]2CCCN2CCCO)s1 ZINC000450601587 236099427 /nfs/dbraw/zinc/09/94/27/236099427.db2.gz YLVRUOSDHABXCT-SECBINFHSA-N 0 1 286.357 0.732 20 5 CCBDMN C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C)CN1C ZINC000408075333 357904771 /nfs/dbraw/zinc/90/47/71/357904771.db2.gz YVROBCYBCXSUMW-UWVGGRQHSA-N 0 1 281.316 0.342 20 5 CCBDMN C[C@H](O)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000570564908 358869778 /nfs/dbraw/zinc/86/97/78/358869778.db2.gz NTALMEUVVJDADD-ZETCQYMHSA-N 0 1 250.258 0.942 20 5 CCBDMN C[C@H](C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1)C(=O)[O-] ZINC000573856359 359006140 /nfs/dbraw/zinc/00/61/40/359006140.db2.gz XNPINWPJWYKKNX-SECBINFHSA-N 0 1 282.300 0.976 20 5 CCBDMN COC[C@@H](O)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000580888826 359104802 /nfs/dbraw/zinc/10/48/02/359104802.db2.gz RGCCYJLZQABGKF-VIFPVBQESA-N 0 1 280.284 0.568 20 5 CCBDMN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CNCCO1 ZINC000592136394 359763124 /nfs/dbraw/zinc/76/31/24/359763124.db2.gz RBHSXXSMHQROGJ-LBPRGKRZSA-N 0 1 295.295 0.078 20 5 CCBDMN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[NH2+]1 ZINC000592332274 359819611 /nfs/dbraw/zinc/81/96/11/359819611.db2.gz JSRKQBOPWPJXAG-SFYZADRCSA-N 0 1 280.284 0.566 20 5 CCBDMN C[C@@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000592295351 359813638 /nfs/dbraw/zinc/81/36/38/359813638.db2.gz PRFYBZZOSFOQFH-MRVPVSSYSA-N 0 1 294.311 0.895 20 5 CCBDMN C[C@@H]1[C@H](C)N(c2c([N+](=O)[O-])ncn2C)CCN1C ZINC000611299147 363704964 /nfs/dbraw/zinc/70/49/64/363704964.db2.gz RLOQCLQEFUBTCZ-BDAKNGLRSA-N 0 1 253.306 0.857 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2CCC(O)(CO)CC2)c1 ZINC000595738564 360634096 /nfs/dbraw/zinc/63/40/96/360634096.db2.gz WHPLYJWCBOJICM-UHFFFAOYSA-N 0 1 296.323 0.793 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1CCC(CO)(CO)C1 ZINC000595798487 360657914 /nfs/dbraw/zinc/65/79/14/360657914.db2.gz DHRFZXPNSCPAKF-UHFFFAOYSA-N 0 1 296.323 0.650 20 5 CCBDMN C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000596103239 360795676 /nfs/dbraw/zinc/79/56/76/360795676.db2.gz BACKWFYSIJEYQV-JTQLQIEISA-N 0 1 295.343 0.743 20 5 CCBDMN COCc1nc(CNc2ccc([N+](=O)[O-])c(C)n2)n[nH]1 ZINC000596436136 360895185 /nfs/dbraw/zinc/89/51/85/360895185.db2.gz LKDCSIVJHCQHHR-UHFFFAOYSA-N 0 1 278.272 0.597 20 5 CCBDMN COCc1nnc(CNc2ccc([N+](=O)[O-])c(C)n2)[nH]1 ZINC000596436136 360895189 /nfs/dbraw/zinc/89/51/89/360895189.db2.gz LKDCSIVJHCQHHR-UHFFFAOYSA-N 0 1 278.272 0.597 20 5 CCBDMN CCc1nn(C)c(N(C)CC2CN(C)C2)c1[N+](=O)[O-] ZINC000596454841 360900346 /nfs/dbraw/zinc/90/03/46/360900346.db2.gz VQOFPQRJGDBYQK-UHFFFAOYSA-N 0 1 267.333 0.889 20 5 CCBDMN C[NH+](C)CC1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000597709605 361205171 /nfs/dbraw/zinc/20/51/71/361205171.db2.gz ZXSPBDKSBNFNTL-UHFFFAOYSA-N 0 1 280.284 0.329 20 5 CCBDMN Cc1n[nH]c(C)c1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597732403 361216207 /nfs/dbraw/zinc/21/62/07/361216207.db2.gz PTVHYMVTPFVSKB-UHFFFAOYSA-N 0 1 278.272 0.630 20 5 CCBDMN CNc1nccc(C(=O)N(C)Cc2cnc[nH]2)c1[N+](=O)[O-] ZINC000597857073 361269635 /nfs/dbraw/zinc/26/96/35/361269635.db2.gz KIJHNWNHLHCPHR-UHFFFAOYSA-N 0 1 290.283 0.449 20 5 CCBDMN CC(C)(C)N1CC[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000597856864 361269726 /nfs/dbraw/zinc/26/97/26/361269726.db2.gz BSGKBYUNXQVNDQ-QMMMGPOBSA-N 0 1 281.316 0.921 20 5 CCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1COC1 ZINC000599489999 361720169 /nfs/dbraw/zinc/72/01/69/361720169.db2.gz HJBRULXKPMPZRW-UHFFFAOYSA-N 0 1 290.272 0.659 20 5 CCBDMN COC[C@H](O)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000564864797 291308864 /nfs/dbraw/zinc/30/88/64/291308864.db2.gz RGCCYJLZQABGKF-SECBINFHSA-N 0 1 280.284 0.568 20 5 CCBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](O)(C(N)=O)C1 ZINC000276490652 193353420 /nfs/dbraw/zinc/35/34/20/193353420.db2.gz VJLLEONHDDZGPF-NOZJJQNGSA-N 0 1 279.296 0.578 20 5 CCBDMN O=C(NCC[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000567828841 291522073 /nfs/dbraw/zinc/52/20/73/291522073.db2.gz LOQLOEFQJNIDQG-QMMMGPOBSA-N 0 1 280.284 0.425 20 5 CCBDMN O=C([C@H]1CNCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000187295686 284576709 /nfs/dbraw/zinc/57/67/09/284576709.db2.gz HKNRLYQLGVVFIC-GFCCVEGCSA-N 0 1 277.280 0.472 20 5 CCBDMN O=C(NC[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000569240015 291663334 /nfs/dbraw/zinc/66/33/34/291663334.db2.gz GZJRHYOSPMTMLO-MRVPVSSYSA-N 0 1 280.284 0.425 20 5 CCBDMN CCOC(=O)[C@H](C)N(C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000444265781 249026104 /nfs/dbraw/zinc/02/61/04/249026104.db2.gz RMVKAEXMAMCLQI-ZETCQYMHSA-N 0 1 298.299 0.904 20 5 CCBDMN CN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@@H]2C1 ZINC000285048147 388787765 /nfs/dbraw/zinc/78/77/65/388787765.db2.gz QBCHOGQCALCTCU-MNOVXSKESA-N 0 1 294.311 0.468 20 5 CCBDMN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000048871731 388907355 /nfs/dbraw/zinc/90/73/55/388907355.db2.gz MRGCSKPQDWQQAY-UHFFFAOYSA-N 0 1 280.284 0.341 20 5 CCBDMN [NH3+]CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000194743359 389103429 /nfs/dbraw/zinc/10/34/29/389103429.db2.gz ITJFPVHZBQQTNT-UHFFFAOYSA-N 0 1 279.343 0.674 20 5 CCBDMN C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000355669221 389109804 /nfs/dbraw/zinc/10/98/04/389109804.db2.gz SHNYDLVGFCRIOZ-ZETCQYMHSA-N 0 1 279.260 0.177 20 5 CCBDMN C[C@@H]1CCN(C)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356485006 389125493 /nfs/dbraw/zinc/12/54/93/389125493.db2.gz SSOAZSBQWFJFJN-SECBINFHSA-N 0 1 281.316 0.495 20 5 CCBDMN Cc1ccc([C@@H](C)NC(=O)CNC(=O)CN)cc1[N+](=O)[O-] ZINC000125143041 389164583 /nfs/dbraw/zinc/16/45/83/389164583.db2.gz HZQMDRVJGXQHBK-SECBINFHSA-N 0 1 294.311 0.155 20 5 CCBDMN Cc1cncc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000134349594 389244508 /nfs/dbraw/zinc/24/45/08/389244508.db2.gz LFAGTBNKSWRAJF-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Cn1cccn1 ZINC000136277197 389265821 /nfs/dbraw/zinc/26/58/21/389265821.db2.gz GFHUKEWEANYCML-QMMMGPOBSA-N 0 1 278.272 0.581 20 5 CCBDMN C[C@H](O)CN1CCN(c2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000264296532 389318727 /nfs/dbraw/zinc/31/87/27/389318727.db2.gz CKWGAVILLVGIMH-UWVGGRQHSA-N 0 1 283.332 0.220 20 5 CCBDMN CCN1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000264303990 389319083 /nfs/dbraw/zinc/31/90/83/389319083.db2.gz SNIKNOBUONCNRK-UHFFFAOYSA-N 0 1 267.289 0.404 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000264322312 389321169 /nfs/dbraw/zinc/32/11/69/389321169.db2.gz XWKQVMIGLJXOJN-QMMMGPOBSA-N 0 1 295.299 0.319 20 5 CCBDMN CCCN(CC(N)=O)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000346902917 389341035 /nfs/dbraw/zinc/34/10/35/389341035.db2.gz JVGJZNHKHBUKGQ-UHFFFAOYSA-N 0 1 297.315 0.779 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCSC[C@H]2CCO)c1 ZINC000331011911 389282307 /nfs/dbraw/zinc/28/23/07/389282307.db2.gz ZUHBZXHDJHOPBL-SNVBAGLBSA-N 0 1 286.357 0.591 20 5 CCBDMN COc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1O ZINC000179509152 389658189 /nfs/dbraw/zinc/65/81/89/389658189.db2.gz BDDZYDOGWYPCJU-UHFFFAOYSA-N 0 1 292.251 0.962 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000351866728 389703736 /nfs/dbraw/zinc/70/37/36/389703736.db2.gz XMDAJNMDDUYJSU-XPUUQOCRSA-N 0 1 268.273 0.333 20 5 CCBDMN CCc1nc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)n[nH]1 ZINC000479198403 390081539 /nfs/dbraw/zinc/08/15/39/390081539.db2.gz WWNKBWCBIYUYDW-UHFFFAOYSA-N 0 1 250.218 0.856 20 5 CCBDMN CCc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000479198403 390081540 /nfs/dbraw/zinc/08/15/40/390081540.db2.gz WWNKBWCBIYUYDW-UHFFFAOYSA-N 0 1 250.218 0.856 20 5 CCBDMN COCC[C@]1(NCc2c([N+](=O)[O-])ncn2C)CCOC1 ZINC000579552178 390183229 /nfs/dbraw/zinc/18/32/29/390183229.db2.gz BAIKWEOOGLTPJS-LBPRGKRZSA-N 0 1 284.316 0.614 20 5 CCBDMN Cc1cnc(Nc2ccn(CCO)n2)c([N+](=O)[O-])c1 ZINC000525190566 390660974 /nfs/dbraw/zinc/66/09/74/390660974.db2.gz QKXMPMUOSLYRHR-UHFFFAOYSA-N 0 1 263.257 0.653 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC(C)(C(N)=O)C2)c1[N+](=O)[O-] ZINC000567051178 390668609 /nfs/dbraw/zinc/66/86/09/390668609.db2.gz HNNSFQPXNNMMRJ-UHFFFAOYSA-N 0 1 295.299 0.218 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC000341963260 130176761 /nfs/dbraw/zinc/17/67/61/130176761.db2.gz FLPVXSCSNSRDGA-OLZOCXBDSA-N 0 1 296.327 0.407 20 5 CCBDMN CSc1n[nH]c(NC(=O)Cn2cc([N+](=O)[O-])nc2C)n1 ZINC000263870886 131350296 /nfs/dbraw/zinc/35/02/96/131350296.db2.gz MGWMZRMQIBJWAQ-UHFFFAOYSA-N 0 1 297.300 0.578 20 5 CCBDMN CC(C)C(=O)NCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269216454 132133428 /nfs/dbraw/zinc/13/34/28/132133428.db2.gz YCFTZYJYYVDTSL-UHFFFAOYSA-N 0 1 295.295 0.802 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](OCCO)C2)c1[N+](=O)[O-] ZINC000269432257 132169714 /nfs/dbraw/zinc/16/97/14/132169714.db2.gz BTKHUZAZTDKXGR-SECBINFHSA-N 0 1 298.299 0.240 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](OCCO)C2)c1[N+](=O)[O-] ZINC000269432262 132169998 /nfs/dbraw/zinc/16/99/98/132169998.db2.gz BTKHUZAZTDKXGR-VIFPVBQESA-N 0 1 298.299 0.240 20 5 CCBDMN Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])nn2C)n[nH]1 ZINC000356745020 144029455 /nfs/dbraw/zinc/02/94/55/144029455.db2.gz XFWZARNRZFVDTA-SSDOTTSWSA-N 0 1 292.299 0.721 20 5 CCBDMN Cn1cnc(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000356803311 144034394 /nfs/dbraw/zinc/03/43/94/144034394.db2.gz LQPDZDVXUCAKLD-UHFFFAOYSA-N 0 1 291.267 0.401 20 5 CCBDMN Cc1[nH]ncc1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357167539 144066800 /nfs/dbraw/zinc/06/68/00/144066800.db2.gz DHKQNRHAYYQVMT-UHFFFAOYSA-N 0 1 276.256 0.732 20 5 CCBDMN C[C@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCOC1 ZINC000357962743 144137734 /nfs/dbraw/zinc/13/77/34/144137734.db2.gz IKQXLKXJFAGXKT-JTQLQIEISA-N 0 1 254.246 0.617 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C)C(C)(C)C1 ZINC000550114899 286103652 /nfs/dbraw/zinc/10/36/52/286103652.db2.gz HWIRCHWMKLPIPR-UHFFFAOYSA-N 0 1 295.343 0.652 20 5 CCBDMN CNC(=O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000037224920 173045586 /nfs/dbraw/zinc/04/55/86/173045586.db2.gz RLBZAZACTSPALF-UHFFFAOYSA-N 0 1 253.258 0.439 20 5 CCBDMN Cc1nn(C)c(N2CCCN(CCO)CC2)c1[N+](=O)[O-] ZINC000071349587 176134219 /nfs/dbraw/zinc/13/42/19/176134219.db2.gz PVYDDURBOHDMCH-UHFFFAOYSA-N 0 1 283.332 0.141 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCNC[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000566009113 327112897 /nfs/dbraw/zinc/11/28/97/327112897.db2.gz BVUFUPGXFIQWJR-LLVKDONJSA-N 0 1 285.279 0.400 20 5 CCBDMN CC(C)(C)N1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1=O ZINC000583443108 327367586 /nfs/dbraw/zinc/36/75/86/327367586.db2.gz YNHJJIWUPZAGCG-ZETCQYMHSA-N 0 1 295.299 0.447 20 5 CCBDMN C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)CN1CCO ZINC000419000212 533977592 /nfs/dbraw/zinc/97/75/92/533977592.db2.gz OCGWJIMZLQPWMV-QWRGUYRKSA-N 0 1 280.328 0.881 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000423594597 534671498 /nfs/dbraw/zinc/67/14/98/534671498.db2.gz OEQFWGFGGBSARY-OCAPTIKFSA-N 0 1 265.273 0.284 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N(C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000269368278 535319261 /nfs/dbraw/zinc/31/92/61/535319261.db2.gz LJIMBNRVEPOKGG-UHFFFAOYSA-N 0 1 297.315 0.602 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCCOCC2)c1[N+](=O)[O-] ZINC000369145480 535998705 /nfs/dbraw/zinc/99/87/05/535998705.db2.gz WUKVDBCYUPKNNR-UHFFFAOYSA-N 0 1 268.273 0.743 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000362362698 535999172 /nfs/dbraw/zinc/99/91/72/535999172.db2.gz WJGTWCJZKVQQHQ-SSDOTTSWSA-N 0 1 295.299 0.218 20 5 CCBDMN O=C(Nc1c[nH]nn1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000789928354 581164821 /nfs/dbraw/zinc/16/48/21/581164821.db2.gz XXPZDFNEXDHPEW-UHFFFAOYSA-N 0 1 273.212 0.842 20 5 CCBDMN CC[S@](=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780501385 581231096 /nfs/dbraw/zinc/23/10/96/581231096.db2.gz QVJKLVQGHCYMOD-IBGZPJMESA-N 0 1 286.309 0.799 20 5 CCBDMN O=[N+]([O-])CCN1CCC(OC[C@H]2CCCO2)CC1 ZINC000791054122 581259185 /nfs/dbraw/zinc/25/91/85/581259185.db2.gz XTVNGGVDUOLREF-GFCCVEGCSA-N 0 1 258.318 0.923 20 5 CCBDMN O=C(OC[C@H]1COCCO1)c1ccc([N+](=O)[O-])[nH]1 ZINC000729101678 581551159 /nfs/dbraw/zinc/55/11/59/581551159.db2.gz BZOSHGQHOUQTTJ-SSDOTTSWSA-N 0 1 256.214 0.495 20 5 CCBDMN CN(Cc1nnc[nH]1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000740759427 581718511 /nfs/dbraw/zinc/71/85/11/581718511.db2.gz GOCWKGZHMCCHJK-UHFFFAOYSA-N 0 1 273.256 0.997 20 5 CCBDMN CN1C[C@@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1=O ZINC000772765190 581889887 /nfs/dbraw/zinc/88/98/87/581889887.db2.gz OGBYBYZEIFYHMP-ZETCQYMHSA-N 0 1 267.241 0.558 20 5 CCBDMN COC[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)OC ZINC000774744167 581993975 /nfs/dbraw/zinc/99/39/75/581993975.db2.gz OPMXCTLIDKBYAS-ZETCQYMHSA-N 0 1 272.213 0.268 20 5 CCBDMN O=C([O-])[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000819240094 601376108 /nfs/dbraw/zinc/37/61/08/601376108.db2.gz XUQVEJDILSUCRN-MRVPVSSYSA-N 0 1 254.246 0.340 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C(=O)[O-] ZINC000828449302 601531532 /nfs/dbraw/zinc/53/15/32/601531532.db2.gz JWQMWFIQTHIZIC-RKDXNWHRSA-N 0 1 268.273 0.444 20 5 CCBDMN COc1cc([N+](=O)[O-])cnc1N1CCCN(CCO)CC1 ZINC000892338507 617217684 /nfs/dbraw/zinc/21/76/84/617217684.db2.gz ZKPUSONXMRVCMX-UHFFFAOYSA-N 0 1 296.327 0.503 20 5 CCBDMN C/C=C(/C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976479863 613131032 /nfs/dbraw/zinc/13/10/32/613131032.db2.gz BYSRMWZHXYWTFU-CRXHBPEPSA-N 0 1 293.323 0.191 20 5 CCBDMN CC(C)O[C@@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000842372374 614047531 /nfs/dbraw/zinc/04/75/31/614047531.db2.gz ITKNROMFKIIQKQ-FOGDFJRCSA-N 0 1 273.285 0.779 20 5 CCBDMN CC(C)[C@@H](O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839721100 614141747 /nfs/dbraw/zinc/14/17/47/614141747.db2.gz NNHBQLADURSHBS-OPRDCNLKSA-N 0 1 256.302 0.565 20 5 CCBDMN CC(C)(C(=O)NC12CCN(CC1)C2)n1cc([N+](=O)[O-])cn1 ZINC000913628596 614296095 /nfs/dbraw/zinc/29/60/95/614296095.db2.gz KLOLHKIRIUEUTN-UHFFFAOYSA-N 0 1 293.327 0.491 20 5 CCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2CC2)C1 ZINC000967950046 614651437 /nfs/dbraw/zinc/65/14/37/614651437.db2.gz NTSPBNXBMCNBEN-GHMZBOCLSA-N 0 1 281.312 0.121 20 5 CCBDMN CCC1(CC)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[S@@]1=O ZINC000839729020 614679839 /nfs/dbraw/zinc/67/98/39/614679839.db2.gz UVWQLPDFLPDUMZ-HQVAUKCESA-N 0 1 288.369 0.801 20 5 CCBDMN CCC1(O)CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839717766 614708110 /nfs/dbraw/zinc/70/81/10/614708110.db2.gz LTOVGSZNGVAUBM-WDHPUFTPSA-N 0 1 256.302 0.852 20 5 CCBDMN CC1([C@H]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)OCCO1 ZINC000839725952 614937457 /nfs/dbraw/zinc/93/74/57/614937457.db2.gz MAWPWTGIEXEVFD-HBNTYKKESA-N 0 1 284.312 0.653 20 5 CCBDMN CCOC(=O)CCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670246 615172571 /nfs/dbraw/zinc/17/25/71/615172571.db2.gz DRDROGHJFXKBSD-RKDXNWHRSA-N 0 1 259.258 0.928 20 5 CCBDMN CCOC(=O)c1csc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000857122378 615192486 /nfs/dbraw/zinc/19/24/86/615192486.db2.gz IJIAUWMCSVOGDE-HTRCEHHLSA-N 0 1 299.308 0.601 20 5 CCBDMN CCN1CC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000922155573 615255904 /nfs/dbraw/zinc/25/59/04/615255904.db2.gz BWYBZBPNNHPUGM-OLZOCXBDSA-N 0 1 293.323 0.839 20 5 CCBDMN CCN1CC[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000819297221 615304590 /nfs/dbraw/zinc/30/45/90/615304590.db2.gz BIHYGRUOCQZYBR-STQMWFEESA-N 0 1 293.323 0.839 20 5 CCBDMN CCOC(=O)[C@@H]1C[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000909393961 615323992 /nfs/dbraw/zinc/32/39/92/615323992.db2.gz DDEZYTFCHLPWLS-JQCXWYLXSA-N 0 1 257.242 0.394 20 5 CCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000839783757 615530228 /nfs/dbraw/zinc/53/02/28/615530228.db2.gz LKBULQZVCOABCQ-DBRKOABJSA-N 0 1 252.217 0.172 20 5 CCBDMN CN(C)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119312421 615904690 /nfs/dbraw/zinc/90/46/90/615904690.db2.gz XEQJFLXQCTUVBU-UHFFFAOYSA-N 0 1 279.343 0.496 20 5 CCBDMN CN(C)C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)(C)C1 ZINC000840412120 615980275 /nfs/dbraw/zinc/98/02/75/615980275.db2.gz UXYRDYZEANHNTQ-NXEZZACHSA-N 0 1 298.343 0.256 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)n1 ZINC000874833263 616200612 /nfs/dbraw/zinc/20/06/12/616200612.db2.gz LLLRCSGEKDBCPC-NXEZZACHSA-N 0 1 293.327 0.637 20 5 CCBDMN CN1CC[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])C1=O ZINC000837645398 616268409 /nfs/dbraw/zinc/26/84/09/616268409.db2.gz ZEZKPBQPUPGNKW-SNVBAGLBSA-N 0 1 294.263 0.822 20 5 CCBDMN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000863328738 616302080 /nfs/dbraw/zinc/30/20/80/616302080.db2.gz CITADWNOEAVLDQ-LZQZFOIKSA-N 0 1 296.323 0.842 20 5 CCBDMN COCCN1CCCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000891860509 616339426 /nfs/dbraw/zinc/33/94/26/616339426.db2.gz BSAIONJTWKFVPZ-UHFFFAOYSA-N 0 1 283.332 0.487 20 5 CCBDMN COC(=O)C1(OC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000810757525 616388522 /nfs/dbraw/zinc/38/85/22/616388522.db2.gz NNAVKDBMGFGBPO-UHFFFAOYSA-N 0 1 254.198 0.785 20 5 CCBDMN COC(=O)[C@@H]1CSCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839934536 616408805 /nfs/dbraw/zinc/40/88/05/616408805.db2.gz LRJZTUCVPDUPFC-DJLDLDEBSA-N 0 1 288.325 0.016 20 5 CCBDMN CN1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000928564535 616423142 /nfs/dbraw/zinc/42/31/42/616423142.db2.gz XUWXKKUBXFJVOX-VIFPVBQESA-N 0 1 297.286 0.933 20 5 CCBDMN COCCNC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000799637496 616497749 /nfs/dbraw/zinc/49/77/49/616497749.db2.gz LXMQOLZAGFHIIM-ZETCQYMHSA-N 0 1 285.256 0.231 20 5 CCBDMN CN1Cc2ccccc2[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000857889190 616518180 /nfs/dbraw/zinc/51/81/80/616518180.db2.gz IMTYWKYARDOOPW-UTUOFQBUSA-N 0 1 289.291 0.481 20 5 CCBDMN COC(=O)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000894811042 616645199 /nfs/dbraw/zinc/64/51/99/616645199.db2.gz XKMIQGQLZAQXNN-GMTAPVOTSA-N 0 1 284.312 0.890 20 5 CCBDMN COC[C@](C)(O)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837548784 616839116 /nfs/dbraw/zinc/83/91/16/616839116.db2.gz XEHVFNBQXKSVSA-LBPRGKRZSA-N 0 1 285.252 0.741 20 5 CCBDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839762587 616893332 /nfs/dbraw/zinc/89/33/32/616893332.db2.gz DGSIXBQIOWQDSY-CKIWUXSYSA-N 0 1 266.297 0.533 20 5 CCBDMN CO[C@@H]1[C@H](C)[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839721154 616894852 /nfs/dbraw/zinc/89/48/52/616894852.db2.gz OJRQBFCBNFUGML-GRDBIXFFSA-N 0 1 256.302 0.827 20 5 CCBDMN COCc1ncc2c(n1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000869681613 616954092 /nfs/dbraw/zinc/95/40/92/616954092.db2.gz XBXVFDCCVUIUII-MWLCHTKSSA-N 0 1 292.295 0.173 20 5 CCBDMN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839647332 616974218 /nfs/dbraw/zinc/97/42/18/616974218.db2.gz YDRKSZZHQVEGBI-IJLUTSLNSA-N 0 1 292.291 0.552 20 5 CCBDMN O=C(CC1CC1)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973795130 625307831 /nfs/dbraw/zinc/30/78/31/625307831.db2.gz SHBXOJMRXRMRBI-LMLFDSFASA-N 0 1 281.312 0.215 20 5 CCBDMN CC(=O)N[C@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001019903980 623921307 /nfs/dbraw/zinc/92/13/07/623921307.db2.gz ZVVGZJMHCOJLSH-KYZUINATSA-N 0 1 267.289 0.085 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@@H](NC(=O)C2CC2)C1 ZINC001021760336 624822407 /nfs/dbraw/zinc/82/24/07/624822407.db2.gz BOHGXANETUHCSH-AOOOYVTPSA-N 0 1 293.327 0.475 20 5 CCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)C3CCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976483294 625855816 /nfs/dbraw/zinc/85/58/16/625855816.db2.gz LOBLGDGQJXVBRU-ZIQFBCGOSA-N 0 1 293.323 0.025 20 5 CCBDMN O=[N+]([O-])CCNCc1cccc(CN2CCOCC2)c1 ZINC000905052212 634786474 /nfs/dbraw/zinc/78/64/74/634786474.db2.gz NSOZZYJFSHLBTQ-UHFFFAOYSA-N 0 1 279.340 0.885 20 5 CCBDMN O=C(OCCOc1ccccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000893671589 631342901 /nfs/dbraw/zinc/34/29/01/631342901.db2.gz JBIJTPHFHHQVAI-RKDXNWHRSA-N 0 1 252.226 0.669 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1C1OCCO1 ZINC000229026234 631693253 /nfs/dbraw/zinc/69/32/53/631693253.db2.gz YVMWMYVPZSRCJJ-OPRDCNLKSA-N 0 1 270.285 0.406 20 5 CCBDMN Cc1occc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990180843 633476335 /nfs/dbraw/zinc/47/63/35/633476335.db2.gz TYBCSCDFFSXMDM-GHMZBOCLSA-N 0 1 293.279 0.194 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H](N2CCC2)C1 ZINC000912920101 636703443 /nfs/dbraw/zinc/70/34/43/636703443.db2.gz RISVPXMTUPLOOW-SECBINFHSA-N 0 1 264.285 0.843 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000839624737 640346716 /nfs/dbraw/zinc/34/67/16/640346716.db2.gz FGQWEGZWIMFSQB-LMLFDSFASA-N 0 1 283.328 0.557 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](n2ccnc2)C1 ZINC000839652521 640348425 /nfs/dbraw/zinc/34/84/25/640348425.db2.gz OMCIKLXEOWVCIE-GMTAPVOTSA-N 0 1 264.285 0.712 20 5 CCBDMN C[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC[C@H]1O ZINC000839698150 640351487 /nfs/dbraw/zinc/35/14/87/640351487.db2.gz CWNQFPKJYKFZDQ-BFLSOPEQSA-N 0 1 256.302 0.709 20 5 CCBDMN C[C@@H](CCO)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839721867 640358046 /nfs/dbraw/zinc/35/80/46/640358046.db2.gz UNYOQBCCYGJXQB-HBNTYKKESA-N 0 1 270.329 0.957 20 5 CCBDMN Cn1cc(Cl)c(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839782670 640364542 /nfs/dbraw/zinc/36/45/42/640364542.db2.gz KYJPKIAJFWLGAK-SVGQVSJJSA-N 0 1 258.665 0.355 20 5 CCBDMN CO[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C12CCC2 ZINC000839798195 640384563 /nfs/dbraw/zinc/38/45/63/640384563.db2.gz KLEKZQGNAAWBQY-KYXWUPHJSA-N 0 1 254.286 0.725 20 5 CCBDMN C[C@@H](O)CN1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804430801 640767418 /nfs/dbraw/zinc/76/74/18/640767418.db2.gz WJVGAKWEFPIWLO-SNVBAGLBSA-N 0 1 280.328 0.680 20 5 CCBDMN O=C(Nc1cccc2c1C(=O)NC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840251867 641001042 /nfs/dbraw/zinc/00/10/42/641001042.db2.gz FOCUDMXSTDYLKS-VXNVDRBHSA-N 0 1 261.237 0.534 20 5 CCBDMN C[C@]1(CCCO)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840408362 641558436 /nfs/dbraw/zinc/55/84/36/641558436.db2.gz DKBPCMBQJDSIQN-CKYFFXLPSA-N 0 1 256.302 0.805 20 5 CCBDMN O=C(NC1(CCO)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840415570 641572746 /nfs/dbraw/zinc/57/27/46/641572746.db2.gz XCSTZQHEEZVXFO-NXEZZACHSA-N 0 1 256.302 0.853 20 5 CCBDMN O=C(OCc1cn(CC2CC2)nn1)[C@@H]1CC1[N+](=O)[O-] ZINC000841255359 642808959 /nfs/dbraw/zinc/80/89/59/642808959.db2.gz HRZMLPLTEURFGT-NXEZZACHSA-N 0 1 266.257 0.397 20 5 CCBDMN O=C(NCC1CCN(CC(F)F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000848096062 643594451 /nfs/dbraw/zinc/59/44/51/643594451.db2.gz KZVVUYLXTNWLQE-NXEZZACHSA-N 0 1 291.298 0.745 20 5 CCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000856488459 644423346 /nfs/dbraw/zinc/42/33/46/644423346.db2.gz YCVCITKZVWJROT-PRKAOEEVSA-N 0 1 278.255 0.923 20 5 CCBDMN O=C(NC[C@@H](O)c1cccc(F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000120572009 645370395 /nfs/dbraw/zinc/37/03/95/645370395.db2.gz SDMKGKNQGBQRSI-SNVBAGLBSA-N 0 1 294.242 0.920 20 5 CCBDMN O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000871308824 646127059 /nfs/dbraw/zinc/12/70/59/646127059.db2.gz ALLLONMWRRFRHV-QCNOEVLYSA-N 0 1 268.313 0.973 20 5 CCBDMN O=C(N[C@@H](C1CC1)[C@@H]1CCCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000885490971 647857964 /nfs/dbraw/zinc/85/79/64/647857964.db2.gz OLOWQGKOLRUXMJ-KKOKHZNYSA-N 0 1 268.313 0.973 20 5 CCBDMN O=C(NC[C@@H]1CCCN(CC[N+](=O)[O-])C1)C(F)(F)F ZINC000930519473 648871672 /nfs/dbraw/zinc/87/16/72/648871672.db2.gz JQRWETDJSUKJEK-QMMMGPOBSA-N 0 1 283.250 0.654 20 5 CCBDMN C[C@]1(C2CCN(CC[N+](=O)[O-])CC2)COC(=O)N1 ZINC000932102017 649049588 /nfs/dbraw/zinc/04/95/88/649049588.db2.gz LVDMLDWJFTWOPV-LLVKDONJSA-N 0 1 257.290 0.474 20 5 CCBDMN CN1CC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC001167275141 790771176 /nfs/dbraw/zinc/77/11/76/790771176.db2.gz GYOWAOICFUDLFT-ZETCQYMHSA-N 0 1 265.273 0.205 20 5 CCBDMN CC(=O)N1CC(Oc2nc(C)cc(O)c2[N+](=O)[O-])C1 ZINC001231262915 805764077 /nfs/dbraw/zinc/76/40/77/805764077.db2.gz HXRRRMWMFBYETQ-UHFFFAOYSA-N 0 1 267.241 0.613 20 5 CCBDMN Cn1cnnc1CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001124043030 799543163 /nfs/dbraw/zinc/54/31/63/799543163.db2.gz YRHLZWJVGVAUMW-GHMZBOCLSA-N 0 1 293.327 0.261 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C(=O)N2CCCC2)CC1 ZINC000839484951 800026325 /nfs/dbraw/zinc/02/63/25/800026325.db2.gz ROWDHYPVBDJRFP-GHMZBOCLSA-N 0 1 296.327 0.012 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CCNC(C)(C)C2)n1 ZINC001149329635 800248111 /nfs/dbraw/zinc/24/81/11/800248111.db2.gz TUCHJWWWCFWTDO-UHFFFAOYSA-N 0 1 267.289 0.152 20 5 CCBDMN O=C(N[C@@H](CO)Cc1ccc(O)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001152183298 800497952 /nfs/dbraw/zinc/49/79/52/800497952.db2.gz DHCZUIRITHIUEU-YUSALJHKSA-N 0 1 280.280 0.077 20 5 CCBDMN O=C(N[C@@H]1C[NH+]2CCC1CC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001153742660 800659291 /nfs/dbraw/zinc/65/92/91/800659291.db2.gz JUNSEDQTLRRIDV-SNVBAGLBSA-N 0 1 292.295 0.519 20 5 CCBDMN O=C(N[C@@H]1CC[C@@H](O)[C@@H](O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001157292565 801346219 /nfs/dbraw/zinc/34/62/19/801346219.db2.gz FURFMODHTBCCTB-FXAINCCUSA-N 0 1 296.279 0.305 20 5 CCBDMN Cc1nc(O[C@@H]2CCOC2=O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375331 805526273 /nfs/dbraw/zinc/52/62/73/805526273.db2.gz BFJKRESIVUHLMR-RXMQYKEDSA-N 0 1 255.186 0.093 20 5 CCBDMN CN1CCN(Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC001262051978 809174482 /nfs/dbraw/zinc/17/44/82/809174482.db2.gz GNOIGXYUSTWGNX-UHFFFAOYSA-N 0 1 253.306 0.775 20 5 CCBDMN COC[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC001263261299 809500272 /nfs/dbraw/zinc/50/02/72/809500272.db2.gz ZIVIWZBLZIKXKN-LBPRGKRZSA-N 0 1 293.323 0.964 20 5 CCBDMN O=C(NCCNCC(F)(F)C(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001126939438 815339488 /nfs/dbraw/zinc/33/94/88/815339488.db2.gz YGOLEWHIWJVSNW-PHDIDXHHSA-N 0 1 287.213 0.258 20 5 CCBDMN CCN1C[C@@H](C)N([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1=O ZINC001169042106 836113237 /nfs/dbraw/zinc/11/32/37/836113237.db2.gz CWPGWQFPAVTDQY-WOPDTQHZSA-N 0 1 269.345 0.984 20 5 CCBDMN COc1cc(NC[C@@H]2COCCN2)cnc1[N+](=O)[O-] ZINC001170043856 836778570 /nfs/dbraw/zinc/77/85/70/836778570.db2.gz IBXOZUKIEDEXCB-SECBINFHSA-N 0 1 268.273 0.399 20 5 CCBDMN Cc1nnc(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001131541970 838132293 /nfs/dbraw/zinc/13/22/93/838132293.db2.gz JJRCVOZTNOYCCX-RNFRBKRXSA-N 0 1 256.287 0.470 20 5 CCBDMN Cc1[nH]nc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)c1C ZINC001176858568 842451226 /nfs/dbraw/zinc/45/12/26/842451226.db2.gz CUCQAVFXLKHNPP-UHFFFAOYSA-N 0 1 290.283 0.842 20 5 CCBDMN CC(C)[N@@H+](C)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001116345539 855750046 /nfs/dbraw/zinc/75/00/46/855750046.db2.gz ZYMZUYZWRXHXTQ-UHFFFAOYSA-N 0 1 296.327 0.213 20 5 CCBDMN Cc1nc(NC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC001117740242 856067443 /nfs/dbraw/zinc/06/74/43/856067443.db2.gz FTKSVBAZOJCPJI-UHFFFAOYSA-N 0 1 251.206 0.007 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCC2)C1 ZINC001119659760 856823397 /nfs/dbraw/zinc/82/33/97/856823397.db2.gz ZNXWVFJIEMCLLC-SECBINFHSA-N 0 1 279.300 0.249 20 5 CCBDMN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCN1CCC1 ZINC001324355641 912800062 /nfs/dbraw/zinc/80/00/62/912800062.db2.gz VTNNFONDHVQTSK-UHFFFAOYSA-N 0 1 297.286 0.935 20 5 CCBDMN O=C(NCc1nnc2n1CCCC2)c1n[nH]cc1[N+](=O)[O-] ZINC001324590750 912920603 /nfs/dbraw/zinc/92/06/03/912920603.db2.gz AHJLVBZQVGWZKI-UHFFFAOYSA-N 0 1 291.271 0.176 20 5 CCBDMN CCc1nc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001326488673 913985625 /nfs/dbraw/zinc/98/56/25/913985625.db2.gz MGUKJEWLACATQE-JTQLQIEISA-N 0 1 291.267 0.947 20 5 CCBDMN CCc1n[nH]c(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001326488673 913985637 /nfs/dbraw/zinc/98/56/37/913985637.db2.gz MGUKJEWLACATQE-JTQLQIEISA-N 0 1 291.267 0.947 20 5 CCBDMN CC(C)[C@H](N)c1noc(Cn2cnc([N+](=O)[O-])n2)n1 ZINC001326512098 901777551 /nfs/dbraw/zinc/77/75/51/901777551.db2.gz AARGMLRRVAMIOE-ZETCQYMHSA-N 0 1 267.249 0.273 20 5 CCBDMN Nc1nc(NCCN2CC=CC2)ncc1[N+](=O)[O-] ZINC001329647501 903837639 /nfs/dbraw/zinc/83/76/39/903837639.db2.gz AOPFDBBDNRBOAK-UHFFFAOYSA-N 0 1 250.262 0.251 20 5 CCBDMN CC1(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC=CC1 ZINC001283246878 904779001 /nfs/dbraw/zinc/77/90/01/904779001.db2.gz QWEUGMCZTWULCX-GHMZBOCLSA-N 0 1 295.339 0.630 20 5 CCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C=C1CCC1 ZINC001298054268 907150304 /nfs/dbraw/zinc/15/03/04/907150304.db2.gz LDSKSIAMOQFKNK-VXGBXAGGSA-N 0 1 295.339 0.679 20 5 CCBDMN Cc1nc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])co1 ZINC001492250144 907801790 /nfs/dbraw/zinc/80/17/90/907801790.db2.gz QJJCACYUESETOS-GHMZBOCLSA-N 0 1 282.300 0.196 20 5 CCBDMN CN(C)C1(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)CCC1 ZINC001303573391 908098906 /nfs/dbraw/zinc/09/89/06/908098906.db2.gz MXDZQDIYYPSMKF-UHFFFAOYSA-N 0 1 253.262 0.741 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC001319443331 910152475 /nfs/dbraw/zinc/15/24/75/910152475.db2.gz JNSAYZNZWBALEK-GFCCVEGCSA-N 0 1 282.300 0.861 20 5 CCBDMN CN(CCNC(=O)c1ccsc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355468244 926267976 /nfs/dbraw/zinc/26/79/76/926267976.db2.gz VEDRBMKMZQOUBJ-NXEZZACHSA-N 0 1 297.336 0.602 20 5 CCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC(C)(F)F ZINC001355592044 926288802 /nfs/dbraw/zinc/28/88/02/926288802.db2.gz NAQBGGOTVUXFDK-HTQZYQBOSA-N 0 1 293.270 0.272 20 5 CCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccoc1 ZINC001356050565 926338977 /nfs/dbraw/zinc/33/89/77/926338977.db2.gz DADHINSEGTYHPQ-GHMZBOCLSA-N 0 1 295.295 0.523 20 5 CCBDMN CC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[S@@]1=O ZINC001449613820 931170258 /nfs/dbraw/zinc/17/02/58/931170258.db2.gz ZFUDRASUYKPTEO-OOSSNNJISA-N 0 1 274.342 0.411 20 5 CCBDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000038022099 948848313 /nfs/dbraw/zinc/84/83/13/948848313.db2.gz YUFRQBPQSQWSJB-UHFFFAOYSA-N 0 1 295.295 0.990 20 5 CCBDMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001599878662 989453166 /nfs/dbraw/zinc/45/31/66/989453166.db2.gz AIVKKJROSZUAKU-NXEZZACHSA-N 0 1 282.300 0.976 20 5 CCBDMN C[N@H+]1CCC[C@@H]1Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O ZINC001598592386 993454618 /nfs/dbraw/zinc/45/46/18/993454618.db2.gz DMEGZKZFGFXOQX-SECBINFHSA-N 0 1 281.268 0.549 20 5 CCBDMN Cc1cnccc1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000124388220 187135419 /nfs/dbraw/zinc/13/54/19/187135419.db2.gz JJOATUULFJKVDF-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN CCc1nn(C)c(N2CCCN(CCO)CC2)c1[N+](=O)[O-] ZINC000091562605 349467738 /nfs/dbraw/zinc/46/77/38/349467738.db2.gz HSNWIYSAOVSZHQ-UHFFFAOYSA-N 0 1 297.359 0.395 20 5 CCBDMN O=C(NCCN1CC[C@@H](O)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000599694151 361790849 /nfs/dbraw/zinc/79/08/49/361790849.db2.gz DHWLYKCRPYNUPC-GFCCVEGCSA-N 0 1 294.311 0.783 20 5 CCBDMN O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000600523215 362003014 /nfs/dbraw/zinc/00/30/14/362003014.db2.gz VFPNEECVTJKPTA-CBAPKCEASA-N 0 1 266.257 0.615 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000361498782 529466363 /nfs/dbraw/zinc/46/63/63/529466363.db2.gz VVMUOJZGRIYVOQ-SSDOTTSWSA-N 0 1 268.273 0.741 20 5 CCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CC[C@H](O)C1 ZINC000600809505 362067452 /nfs/dbraw/zinc/06/74/52/362067452.db2.gz ZULAZQPLQNLKCY-NSHDSACASA-N 0 1 293.323 0.700 20 5 CCBDMN CN(CC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000600823374 362072080 /nfs/dbraw/zinc/07/20/80/362072080.db2.gz XPOHAIGJTIALRQ-UHFFFAOYSA-N 0 1 281.316 0.392 20 5 CCBDMN CN1CCN(c2ncc([N+](=O)[O-])cn2)CC1(C)C ZINC000601186900 362169973 /nfs/dbraw/zinc/16/99/73/362169973.db2.gz FWINQZOAYZPBQI-UHFFFAOYSA-N 0 1 251.290 0.915 20 5 CCBDMN CCc1nc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])n[nH]1 ZINC000295040203 199315136 /nfs/dbraw/zinc/31/51/36/199315136.db2.gz WZOKNTYSSKWDJA-UHFFFAOYSA-N 0 1 290.283 0.986 20 5 CCBDMN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCCN(C)C1=O ZINC000601969908 362443610 /nfs/dbraw/zinc/44/36/10/362443610.db2.gz MRHVHWLZDQJBFJ-LLVKDONJSA-N 0 1 295.343 0.734 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN1CC[C@](C)(C(N)=O)C1 ZINC000361552241 232151250 /nfs/dbraw/zinc/15/12/50/232151250.db2.gz KAICZVYCSDWGAM-NSHDSACASA-N 0 1 267.289 0.026 20 5 CCBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)CNCCO1 ZINC000602444084 362620697 /nfs/dbraw/zinc/62/06/97/362620697.db2.gz LKRISDJKKSTVKZ-CQSZACIVSA-N 0 1 293.323 0.932 20 5 CCBDMN CN(C)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000170639560 136557666 /nfs/dbraw/zinc/55/76/66/136557666.db2.gz QXMFDYYEVLXWSS-UHFFFAOYSA-N 0 1 292.339 0.805 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@]1(CO)CCOC1 ZINC000602804844 362809576 /nfs/dbraw/zinc/80/95/76/362809576.db2.gz HEHFIUHEQUAAEI-GFCCVEGCSA-N 0 1 284.316 0.183 20 5 CCBDMN CC(=O)N[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602849147 362836532 /nfs/dbraw/zinc/83/65/32/362836532.db2.gz ZVHROALPOOWYFQ-NSHDSACASA-N 0 1 281.316 0.310 20 5 CCBDMN COC[C@@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000263114712 137058423 /nfs/dbraw/zinc/05/84/23/137058423.db2.gz FOGXFJKNWCYWKW-SECBINFHSA-N 0 1 282.300 0.097 20 5 CCBDMN C[C@H]1C[C@H](O)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000340903459 137085986 /nfs/dbraw/zinc/08/59/86/137085986.db2.gz IIHZQKFTOGMVAS-KWQFWETISA-N 0 1 279.296 0.649 20 5 CCBDMN Cc1noc(C)c1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343465946 137137147 /nfs/dbraw/zinc/13/71/47/137137147.db2.gz NEBPKHBQIDCCTH-UHFFFAOYSA-N 0 1 279.256 0.895 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@H]2CCCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343487357 137138524 /nfs/dbraw/zinc/13/85/24/137138524.db2.gz HZAWQBVBUQFWCS-ZJUUUORDSA-N 0 1 295.343 0.849 20 5 CCBDMN COc1cc(CN2C[C@H](O)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602896105 362870673 /nfs/dbraw/zinc/87/06/73/362870673.db2.gz CPBVBMGSNGUFQV-RISCZKNCSA-N 0 1 296.323 0.921 20 5 CCBDMN C[C@@H](O)[C@H]1CCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602895810 362871253 /nfs/dbraw/zinc/87/12/53/362871253.db2.gz MBOIHPCGPZGWHO-PSASIEDQSA-N 0 1 254.290 0.674 20 5 CCBDMN CC(C)(N)c1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000043403879 348308038 /nfs/dbraw/zinc/30/80/38/348308038.db2.gz XDANHUGSBBMYCZ-UHFFFAOYSA-N 0 1 252.234 0.416 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC(N(C)C)C1 ZINC000602952531 362906277 /nfs/dbraw/zinc/90/62/77/362906277.db2.gz MQZFMVGPVKMDPL-UHFFFAOYSA-N 0 1 279.300 0.498 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1NCCCCN1CCOCC1 ZINC000048560872 348415517 /nfs/dbraw/zinc/41/55/17/348415517.db2.gz GJACYKDCKXVWHY-UHFFFAOYSA-N 0 1 283.332 0.853 20 5 CCBDMN CN1CCN(CCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000049933918 348461617 /nfs/dbraw/zinc/46/16/17/348461617.db2.gz QDMXMYGVDHGASC-UHFFFAOYSA-N 0 1 265.317 0.649 20 5 CCBDMN CCN(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000068960783 348827914 /nfs/dbraw/zinc/82/79/14/348827914.db2.gz HDVKMBAUMROVBC-UHFFFAOYSA-N 0 1 287.341 0.825 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000076968250 349095546 /nfs/dbraw/zinc/09/55/46/349095546.db2.gz BNUGGVQENBGAAV-QMMMGPOBSA-N 0 1 268.273 0.877 20 5 CCBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)O ZINC000078778696 349152538 /nfs/dbraw/zinc/15/25/38/349152538.db2.gz BTARMSKVJBRSGS-UHFFFAOYSA-N 0 1 281.312 0.896 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc[nH]n1 ZINC000080581037 349218871 /nfs/dbraw/zinc/21/88/71/349218871.db2.gz RFHHXXBQQUGVTR-UHFFFAOYSA-N 0 1 291.267 0.694 20 5 CCBDMN CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000104919617 186032075 /nfs/dbraw/zinc/03/20/75/186032075.db2.gz YDYPXETXPDWCNX-VIFPVBQESA-N 0 1 294.311 0.719 20 5 CCBDMN CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000104919617 186032077 /nfs/dbraw/zinc/03/20/77/186032077.db2.gz YDYPXETXPDWCNX-VIFPVBQESA-N 0 1 294.311 0.719 20 5 CCBDMN CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000104919617 186032079 /nfs/dbraw/zinc/03/20/79/186032079.db2.gz YDYPXETXPDWCNX-VIFPVBQESA-N 0 1 294.311 0.719 20 5 CCBDMN C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000134945769 350380233 /nfs/dbraw/zinc/38/02/33/350380233.db2.gz ZUAZRIMPUPCKDZ-UHFFFAOYSA-N 0 1 266.257 0.081 20 5 CCBDMN COc1cc(C(=O)N(C)Cc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000135367132 350393240 /nfs/dbraw/zinc/39/32/40/350393240.db2.gz KJFJOGCVWROZAC-UHFFFAOYSA-N 0 1 291.267 0.994 20 5 CCBDMN CC(C)[C@H]1CN(C)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000153875886 350565569 /nfs/dbraw/zinc/56/55/69/350565569.db2.gz ZKPKBHYLAJXXOP-LLVKDONJSA-N 0 1 295.343 0.590 20 5 CCBDMN COC(=O)C(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000153870606 350565698 /nfs/dbraw/zinc/56/56/98/350565698.db2.gz IBCQQYKEIVWMPN-UHFFFAOYSA-N 0 1 270.245 0.247 20 5 CCBDMN C[C@@H](O)[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000168442852 350826703 /nfs/dbraw/zinc/82/67/03/350826703.db2.gz BCUOAZOZOZOKSW-KOLCDFICSA-N 0 1 293.323 0.896 20 5 CCBDMN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271471780 191157370 /nfs/dbraw/zinc/15/73/70/191157370.db2.gz YXTYJGUIWWVVJB-PSASIEDQSA-N 0 1 293.327 0.541 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1COCCN1 ZINC000235740773 352187862 /nfs/dbraw/zinc/18/78/62/352187862.db2.gz JPXLRVZKLHIQFQ-SNVBAGLBSA-N 0 1 279.296 0.621 20 5 CCBDMN Cc1nc(NC[C@H]2COCCN2)ccc1[N+](=O)[O-] ZINC000235952644 352190544 /nfs/dbraw/zinc/19/05/44/352190544.db2.gz MOQHKYHKFAKFON-VIFPVBQESA-N 0 1 252.274 0.699 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000236408908 352194366 /nfs/dbraw/zinc/19/43/66/352194366.db2.gz ZRJVCNDNBZHPLG-JTQLQIEISA-N 0 1 265.269 0.313 20 5 CCBDMN Cc1n[nH]c(C(=O)N(C)[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000266001898 352676527 /nfs/dbraw/zinc/67/65/27/352676527.db2.gz SLLZVFQIOXXURM-SECBINFHSA-N 0 1 281.316 0.793 20 5 CCBDMN CCC(CC)(CO)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270789247 352985452 /nfs/dbraw/zinc/98/54/52/352985452.db2.gz AMIYWAQKNOAAIL-UHFFFAOYSA-N 0 1 270.289 0.846 20 5 CCBDMN CCc1nc([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000270803093 352987921 /nfs/dbraw/zinc/98/79/21/352987921.db2.gz WSWGYEKEYWSCIC-ZETCQYMHSA-N 0 1 293.287 0.349 20 5 CCBDMN CN1CCO[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272581470 353076147 /nfs/dbraw/zinc/07/61/47/353076147.db2.gz UHKFSNAGUKGCQP-LBPRGKRZSA-N 0 1 295.295 0.361 20 5 CCBDMN CNC(=O)CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274681073 353152674 /nfs/dbraw/zinc/15/26/74/353152674.db2.gz MTFSNTUGHOCRSD-UHFFFAOYSA-N 0 1 281.268 0.556 20 5 CCBDMN CN1CCN(C)[C@@H](CNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000282230329 353405142 /nfs/dbraw/zinc/40/51/42/353405142.db2.gz PCMRJAUJHUYENH-NSHDSACASA-N 0 1 279.344 0.835 20 5 CCBDMN CN(C)C1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000158269446 188367159 /nfs/dbraw/zinc/36/71/59/188367159.db2.gz AEVMINOHXZBBIS-UHFFFAOYSA-N 0 1 279.296 0.746 20 5 CCBDMN CC(C)[C@](C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000287888827 353673995 /nfs/dbraw/zinc/67/39/95/353673995.db2.gz NLTRLPDUJFSNAM-ZDUSSCGKSA-N 0 1 295.295 0.930 20 5 CCBDMN Cc1nc(N2CCN(C[C@@H](C)O)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297266010 353961092 /nfs/dbraw/zinc/96/10/92/353961092.db2.gz WKKHNXROHDCPMD-VHSXEESVSA-N 0 1 295.343 0.585 20 5 CCBDMN O=C(NC[C@H](O)Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000305732522 354155627 /nfs/dbraw/zinc/15/56/27/354155627.db2.gz KWSAEKUKLFBNPJ-SNVBAGLBSA-N 0 1 290.279 0.651 20 5 CCBDMN O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1n[nH]cc1[N+](=O)[O-] ZINC000305727571 354155823 /nfs/dbraw/zinc/15/58/23/354155823.db2.gz JRHKPBSTPOGPKM-QWRGUYRKSA-N 0 1 288.263 0.706 20 5 CCBDMN C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000330455506 354366092 /nfs/dbraw/zinc/36/60/92/354366092.db2.gz OESSTZJAPLLWJI-NSHDSACASA-N 0 1 295.339 0.799 20 5 CCBDMN COC(=O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336811008 355185789 /nfs/dbraw/zinc/18/57/89/355185789.db2.gz KOCRYDXZGKBCPE-UHFFFAOYSA-N 0 1 292.244 0.185 20 5 CCBDMN CN1CC[C@](O)(CNc2ncc([N+](=O)[O-])s2)C1 ZINC000336960474 355233593 /nfs/dbraw/zinc/23/35/93/355233593.db2.gz AAZBGYLZPNPNMR-VIFPVBQESA-N 0 1 258.303 0.530 20 5 CCBDMN CNC(=O)Cn1nc(Nc2ncc([N+](=O)[O-])s2)cc1C ZINC000337031450 355252596 /nfs/dbraw/zinc/25/25/96/355252596.db2.gz YPPSEQXIYATFPJ-UHFFFAOYSA-N 0 1 296.312 0.468 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(O)(C(F)F)C1 ZINC000425016232 235251061 /nfs/dbraw/zinc/25/10/61/235251061.db2.gz GXZAHIVRPSGHBQ-UHFFFAOYSA-N 0 1 288.206 0.752 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000425527910 235304950 /nfs/dbraw/zinc/30/49/50/235304950.db2.gz OPACOCQJEKHGIU-AXFHLTTASA-N 0 1 280.328 0.921 20 5 CCBDMN CC[C@H]1CN(C)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000558982288 291075707 /nfs/dbraw/zinc/07/57/07/291075707.db2.gz IAMSMBTYUQPRCX-QMMMGPOBSA-N 0 1 266.305 0.328 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](O)C2(C)C)c1[N+](=O)[O-] ZINC000361151134 138023386 /nfs/dbraw/zinc/02/33/86/138023386.db2.gz SHXFLCCPKZYKOI-ZETCQYMHSA-N 0 1 268.273 0.612 20 5 CCBDMN CCOC(=O)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000354283765 356381929 /nfs/dbraw/zinc/38/19/29/356381929.db2.gz KNZKVRNEQMKZCR-UHFFFAOYSA-N 0 1 282.256 0.391 20 5 CCBDMN C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000354678295 356471472 /nfs/dbraw/zinc/47/14/72/356471472.db2.gz IPALSYMJCZTEBE-CYBMUJFWSA-N 0 1 295.295 0.097 20 5 CCBDMN Cc1cc(OCC(=O)NCc2c[nH]nn2)ccc1[N+](=O)[O-] ZINC000619542423 366277274 /nfs/dbraw/zinc/27/72/74/366277274.db2.gz DWBFCYDZUBVVPP-UHFFFAOYSA-N 0 1 291.267 0.717 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000609132319 363473236 /nfs/dbraw/zinc/47/32/36/363473236.db2.gz DFQWWHDCTJHNOY-MNOVXSKESA-N 0 1 295.343 0.364 20 5 CCBDMN COCCN1CCC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000609268940 363487077 /nfs/dbraw/zinc/48/70/77/363487077.db2.gz ADJYZARGJQZUPK-SECBINFHSA-N 0 1 296.331 0.320 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000609489049 363499315 /nfs/dbraw/zinc/49/93/15/363499315.db2.gz DUKLJEDGDJWOTA-UHFFFAOYSA-N 0 1 287.239 0.519 20 5 CCBDMN NC(=O)CN(CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000610484834 363564857 /nfs/dbraw/zinc/56/48/57/363564857.db2.gz DHJBJJVDCWTJKB-UHFFFAOYSA-N 0 1 281.316 0.521 20 5 CCBDMN O=C1C[C@H]2CC[C@@H](CN1)N2CCn1cc([N+](=O)[O-])cn1 ZINC000610506699 363570796 /nfs/dbraw/zinc/57/07/96/363570796.db2.gz MWGCKGDUUHZVSL-ZJUUUORDSA-N 0 1 279.300 0.144 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(O)(c2ccccc2)C1 ZINC000377100435 357537708 /nfs/dbraw/zinc/53/77/08/357537708.db2.gz AHUMMIJCHXJOSX-GHMZBOCLSA-N 0 1 262.265 0.382 20 5 CCBDMN C[C@H]1C[N@@H+](CCO)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000449786927 236051237 /nfs/dbraw/zinc/05/12/37/236051237.db2.gz RDUWELBIVQLQDI-NSHDSACASA-N 0 1 295.339 0.799 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC3(C2)CCOC3)c1[N+](=O)[O-] ZINC000294286165 198984204 /nfs/dbraw/zinc/98/42/04/198984204.db2.gz HEOWHJAFLUXZOH-UHFFFAOYSA-N 0 1 280.284 0.743 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408291935 358013793 /nfs/dbraw/zinc/01/37/93/358013793.db2.gz AUBZHQBORGJYJR-FSPLSTOPSA-N 0 1 254.246 0.222 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ncc[nH]1 ZINC000569014840 358727429 /nfs/dbraw/zinc/72/74/29/358727429.db2.gz SZRFQAFQOXYAPT-RXMQYKEDSA-N 0 1 250.218 0.532 20 5 CCBDMN C[C@@H](NC(=O)c1[n-]ncc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000569014840 358727431 /nfs/dbraw/zinc/72/74/31/358727431.db2.gz SZRFQAFQOXYAPT-RXMQYKEDSA-N 0 1 250.218 0.532 20 5 CCBDMN CCN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H]1C ZINC000611100408 363659125 /nfs/dbraw/zinc/65/91/25/363659125.db2.gz BFTBONAMMRVTND-VIFPVBQESA-N 0 1 294.311 0.862 20 5 CCBDMN C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000590402354 359454071 /nfs/dbraw/zinc/45/40/71/359454071.db2.gz CUJUKROXXGXGCA-LDYMZIIASA-N 0 1 294.311 0.860 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]3COC[C@@H]32)n1 ZINC000590972282 359545040 /nfs/dbraw/zinc/54/50/40/359545040.db2.gz DCGAQVQZHARYNE-MNOVXSKESA-N 0 1 266.301 0.902 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000591784725 359658839 /nfs/dbraw/zinc/65/88/39/359658839.db2.gz JGWDRMJXDTUZBG-CVYQJGLWSA-N 0 1 282.178 0.359 20 5 CCBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1=CC[NH2+]CC1 ZINC000563138161 291197681 /nfs/dbraw/zinc/19/76/81/291197681.db2.gz SHMIOGIZNYSUPS-UHFFFAOYSA-N 0 1 298.324 0.188 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)C[C@H]2COC)c1[N+](=O)[O-] ZINC000593810517 360162690 /nfs/dbraw/zinc/16/26/90/360162690.db2.gz MBFNGTBCGRCTGO-JGVFFNPUSA-N 0 1 298.299 0.102 20 5 CCBDMN O=C(N[C@H](CO)CCF)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593862341 360179810 /nfs/dbraw/zinc/17/98/10/360179810.db2.gz KRDPCZPFWFFGHS-ZETCQYMHSA-N 0 1 296.258 0.921 20 5 CCBDMN O=C([O-])C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000594526592 360325398 /nfs/dbraw/zinc/32/53/98/360325398.db2.gz CMCGRUKHZTXXMY-UHFFFAOYSA-N 0 1 268.273 0.730 20 5 CCBDMN C[C@@H](O)C[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594773979 360380477 /nfs/dbraw/zinc/38/04/77/360380477.db2.gz URQONQSDMGCKMZ-HTQZYQBOSA-N 0 1 289.313 0.428 20 5 CCBDMN O=[N+]([O-])c1cc2c(cc1CN[C@H]1C[C@H](O)C1)OCCO2 ZINC000595000370 360432591 /nfs/dbraw/zinc/43/25/91/360432591.db2.gz GOIWMEQNKPYBLD-MGCOHNPYSA-N 0 1 280.280 0.979 20 5 CCBDMN O=c1[nH]ccc(N2CC(CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596240537 360849111 /nfs/dbraw/zinc/84/91/11/360849111.db2.gz ZHVNBEYOHZZBBG-UHFFFAOYSA-N 0 1 294.311 0.464 20 5 CCBDMN CCOC[C@H](O)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000563882100 291255492 /nfs/dbraw/zinc/25/54/92/291255492.db2.gz RBWKOEFZLKXHBR-SNVBAGLBSA-N 0 1 294.311 0.958 20 5 CCBDMN CC1CCC(O)(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000598558953 361445584 /nfs/dbraw/zinc/44/55/84/361445584.db2.gz AJKCYNAWFAKWBA-UHFFFAOYSA-N 0 1 282.300 0.989 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CC[C@H](O)C1 ZINC000599199599 361608405 /nfs/dbraw/zinc/60/84/05/361608405.db2.gz MQUDAKBWRVXKJG-JTQLQIEISA-N 0 1 283.332 0.598 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(C)CCC2)n1 ZINC000599254643 361622767 /nfs/dbraw/zinc/62/27/67/361622767.db2.gz ZNPOBZAAIOWUCY-UHFFFAOYSA-N 0 1 288.329 0.797 20 5 CCBDMN Cc1cn2c(n1)CN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])CC2 ZINC000611894835 363803814 /nfs/dbraw/zinc/80/38/14/363803814.db2.gz PQXUJIWWKDEPQL-UHFFFAOYSA-N 0 1 290.283 0.787 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@]2(CCCOC2)C1 ZINC000376010458 296073505 /nfs/dbraw/zinc/07/35/05/296073505.db2.gz BEADJLRUPOEUGF-CKYFFXLPSA-N 0 1 270.285 0.060 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H](F)C[C@H]1CO ZINC000330589834 203008533 /nfs/dbraw/zinc/00/85/33/203008533.db2.gz ZUAJWESSVSBINH-WPRPVWTQSA-N 0 1 284.243 0.845 20 5 CCBDMN CCC1(O)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000332008590 204384679 /nfs/dbraw/zinc/38/46/79/204384679.db2.gz RXYOHFLYELUGFA-UHFFFAOYSA-N 0 1 266.253 0.897 20 5 CCBDMN C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1 ZINC000237398798 189875044 /nfs/dbraw/zinc/87/50/44/189875044.db2.gz RQJQGIKDGBWDAT-SECBINFHSA-N 0 1 281.316 0.347 20 5 CCBDMN O=C(N[C@]1(CCO)CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000278233326 193875102 /nfs/dbraw/zinc/87/51/02/193875102.db2.gz YTDSLMPNNKDCKM-CYBMUJFWSA-N 0 1 296.279 0.572 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1NCCc1nc[nH]n1 ZINC000288809863 197170431 /nfs/dbraw/zinc/17/04/31/197170431.db2.gz HLFVACXOMMSPNG-UHFFFAOYSA-N 0 1 265.277 0.892 20 5 CCBDMN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000447243695 285253891 /nfs/dbraw/zinc/25/38/91/285253891.db2.gz BRBDANADJBNOLW-LURJTMIESA-N 0 1 279.343 0.529 20 5 CCBDMN C[C@@H](CO)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000283614417 388767390 /nfs/dbraw/zinc/76/73/90/388767390.db2.gz MEBMZAICZFUQLA-ZETCQYMHSA-N 0 1 254.242 0.753 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CCCC(=O)NC)c1[N+](=O)[O-] ZINC000338145831 389079095 /nfs/dbraw/zinc/07/90/95/389079095.db2.gz GWQBSNTWYZIYKP-UHFFFAOYSA-N 0 1 297.315 0.479 20 5 CCBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H]1COCCN1 ZINC000130333896 389203805 /nfs/dbraw/zinc/20/38/05/389203805.db2.gz WQJCIIRZYFQLLV-LBPRGKRZSA-N 0 1 293.323 0.932 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](O)C2(C)C)c1[N+](=O)[O-] ZINC000361151130 389209756 /nfs/dbraw/zinc/20/97/56/389209756.db2.gz SHXFLCCPKZYKOI-SSDOTTSWSA-N 0 1 268.273 0.612 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCNC(=O)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000264579442 389336923 /nfs/dbraw/zinc/33/69/23/389336923.db2.gz UUAROLXHXMOYCD-VIFPVBQESA-N 0 1 295.299 0.223 20 5 CCBDMN O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000364492680 389269806 /nfs/dbraw/zinc/26/98/06/389269806.db2.gz LRKUZMSJROWKDY-HBNTYKKESA-N 0 1 280.284 0.666 20 5 CCBDMN COC(=O)[C@@H](CC(F)F)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345307059 389301630 /nfs/dbraw/zinc/30/16/30/389301630.db2.gz SCPKGNGOJJPDMW-SCSAIBSYSA-N 0 1 292.198 0.245 20 5 CCBDMN C[C@H]1[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CCCN1C ZINC000345312966 389303017 /nfs/dbraw/zinc/30/30/17/389303017.db2.gz GDHBFWFDHJGCKT-DTWKUNHWSA-N 0 1 281.316 0.541 20 5 CCBDMN CN(C)CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173684085 389507506 /nfs/dbraw/zinc/50/75/06/389507506.db2.gz HVZOPBOPXAKKFP-SNVBAGLBSA-N 0 1 293.327 0.564 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC(=O)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000279695070 389595344 /nfs/dbraw/zinc/59/53/44/389595344.db2.gz UYQYELHMWJOTSA-UHFFFAOYSA-N 0 1 279.256 0.031 20 5 CCBDMN C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1 ZINC000415427939 389682744 /nfs/dbraw/zinc/68/27/44/389682744.db2.gz GVJSYEVIALUFMP-VIFPVBQESA-N 0 1 292.295 0.354 20 5 CCBDMN C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436966656 389988700 /nfs/dbraw/zinc/98/87/00/389988700.db2.gz OLDUWUJOMMOJBJ-CYBMUJFWSA-N 0 1 295.295 0.097 20 5 CCBDMN O=C(NCC[NH+]1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000448604544 389989317 /nfs/dbraw/zinc/98/93/17/389989317.db2.gz IRMVPUBKUDUQAL-UHFFFAOYSA-N 0 1 280.284 0.521 20 5 CCBDMN Nc1nccc(C(=O)NCCN2CC=CCC2)c1[N+](=O)[O-] ZINC000580093503 390220351 /nfs/dbraw/zinc/22/03/51/390220351.db2.gz FIMUHENJZGXBNY-UHFFFAOYSA-N 0 1 291.311 0.394 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN1CCN(C)C(C)(C)C1 ZINC000583572629 390294422 /nfs/dbraw/zinc/29/44/22/390294422.db2.gz RSWKWFKRKKDPLC-UHFFFAOYSA-N 0 1 267.333 0.854 20 5 CCBDMN CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000547763889 390396962 /nfs/dbraw/zinc/39/69/62/390396962.db2.gz IOVNBLCYSGEXGD-QMMMGPOBSA-N 0 1 267.289 0.484 20 5 CCBDMN CNS(=O)(=O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519555735 390509919 /nfs/dbraw/zinc/50/99/19/390509919.db2.gz PBJJSHCJJMRSIM-NSHDSACASA-N 0 1 299.352 0.721 20 5 CCBDMN CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000497262079 390446097 /nfs/dbraw/zinc/44/60/97/390446097.db2.gz HIYTWFYBBNSVMO-OPRDCNLKSA-N 0 1 285.300 0.389 20 5 CCBDMN O=C(N[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000571402131 390734017 /nfs/dbraw/zinc/73/40/17/390734017.db2.gz FZBGQLULIKMJJH-SSDOTTSWSA-N 0 1 266.257 0.177 20 5 CCBDMN Cn1cc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])cn1 ZINC000525700291 390665185 /nfs/dbraw/zinc/66/51/85/390665185.db2.gz YPDXDIASZBSLLX-UHFFFAOYSA-N 0 1 297.296 0.202 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C)C[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000428613178 533663870 /nfs/dbraw/zinc/66/38/70/533663870.db2.gz AHLFBYVCCSMEHN-HTRCEHHLSA-N 0 1 295.299 0.352 20 5 CCBDMN COCCO[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000189681151 130008380 /nfs/dbraw/zinc/00/83/80/130008380.db2.gz OGTSEFBTXNDZKC-NSHDSACASA-N 0 1 284.316 0.529 20 5 CCBDMN CNC(=O)CN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269330107 132156537 /nfs/dbraw/zinc/15/65/37/132156537.db2.gz MHHREONNKKLTED-UHFFFAOYSA-N 0 1 283.288 0.259 20 5 CCBDMN CNC(=O)CCN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269340917 132157233 /nfs/dbraw/zinc/15/72/33/132157233.db2.gz HSLHEXSDIGNPRI-UHFFFAOYSA-N 0 1 297.315 0.649 20 5 CCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000356454988 144003982 /nfs/dbraw/zinc/00/39/82/144003982.db2.gz GLHLZAHZNQAQRB-QMMMGPOBSA-N 0 1 279.300 0.295 20 5 CCBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc[nH]n1 ZINC000356623165 144019943 /nfs/dbraw/zinc/01/99/43/144019943.db2.gz TUBRUBDIOPCCPH-ZCFIWIBFSA-N 0 1 277.240 0.910 20 5 CCBDMN O=C(N[C@@H]1C=C[C@@H](CO)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356636495 144021450 /nfs/dbraw/zinc/02/14/50/144021450.db2.gz ROSUVWBDCDGRAE-PSASIEDQSA-N 0 1 278.264 0.967 20 5 CCBDMN C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])c1nnc[nH]1 ZINC000548713289 286060905 /nfs/dbraw/zinc/06/09/05/286060905.db2.gz XRVCCJCBECXQER-RXMQYKEDSA-N 0 1 277.244 0.011 20 5 CCBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(O)(C(N)=O)CC1 ZINC000284423284 196052735 /nfs/dbraw/zinc/05/27/35/196052735.db2.gz YCPASAILYUODMP-JTQLQIEISA-N 0 1 293.323 0.968 20 5 CCBDMN CN1CCN(CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000037497031 173235790 /nfs/dbraw/zinc/23/57/90/173235790.db2.gz DMEUXXXAAZMWPP-UHFFFAOYSA-N 0 1 265.317 0.649 20 5 CCBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)CN1C ZINC000351504292 274369499 /nfs/dbraw/zinc/36/94/99/274369499.db2.gz IUVFHFMINNTHDA-SFYZADRCSA-N 0 1 266.305 0.326 20 5 CCBDMN C[C@@H]1OCC[C@]1(O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000279639848 278063974 /nfs/dbraw/zinc/06/39/74/278063974.db2.gz YYLDEPZOMRQUGI-SDBXPKJASA-N 0 1 296.279 0.570 20 5 CCBDMN C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000132544427 290195976 /nfs/dbraw/zinc/19/59/76/290195976.db2.gz YKGJGFOHZSLEFN-SECBINFHSA-N 0 1 279.296 0.982 20 5 CCBDMN CCn1ccnc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000385208546 336142142 /nfs/dbraw/zinc/14/21/42/336142142.db2.gz PFAVPVWQPGOKDX-NSHDSACASA-N 0 1 294.315 0.158 20 5 CCBDMN CN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050693348 523805199 /nfs/dbraw/zinc/80/51/99/523805199.db2.gz NPLOYUJLFLBDTI-UHFFFAOYSA-N 0 1 278.312 0.955 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc(C2CCC2)n[nH]1 ZINC000184616176 527372909 /nfs/dbraw/zinc/37/29/09/527372909.db2.gz NDJUGLBPXQPPNU-UHFFFAOYSA-N 0 1 291.271 0.816 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1n[nH]c(C2CCC2)n1 ZINC000184616176 527372917 /nfs/dbraw/zinc/37/29/17/527372917.db2.gz NDJUGLBPXQPPNU-UHFFFAOYSA-N 0 1 291.271 0.816 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000346715702 536001564 /nfs/dbraw/zinc/00/15/64/536001564.db2.gz NLVUPJBBSCDMGC-YUMQZZPRSA-N 0 1 282.300 0.866 20 5 CCBDMN O=C(OC[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000778350416 581103022 /nfs/dbraw/zinc/10/30/22/581103022.db2.gz LFJAGJRQWIKWSE-SSDOTTSWSA-N 0 1 288.281 0.514 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC2(C1)OCCO2 ZINC000780473958 581229979 /nfs/dbraw/zinc/22/99/79/581229979.db2.gz NRZBRWCPIMTNBF-UHFFFAOYSA-N 0 1 294.263 0.889 20 5 CCBDMN CCc1nc(COC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC000754867665 581614014 /nfs/dbraw/zinc/61/40/14/581614014.db2.gz NXJYUHKWRNAGCU-UHFFFAOYSA-N 0 1 280.244 0.366 20 5 CCBDMN CCc1cc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n[nH]1 ZINC000732834643 581850984 /nfs/dbraw/zinc/85/09/84/581850984.db2.gz CNQAMRMVRNPPMD-UHFFFAOYSA-N 0 1 291.267 0.911 20 5 CCBDMN O=C([O-])[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000738538877 582060705 /nfs/dbraw/zinc/06/07/05/582060705.db2.gz XUCQUCVAAQLBGW-SECBINFHSA-N 0 1 268.273 0.588 20 5 CCBDMN O=C([O-])[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000821511053 597467019 /nfs/dbraw/zinc/46/70/19/597467019.db2.gz BLXMJHWLKURDBZ-VIFPVBQESA-N 0 1 281.268 0.163 20 5 CCBDMN CC(C)[C@@H](C(=O)OCc1cn(C)nc1[N+](=O)[O-])N(C)C ZINC000847784074 614080681 /nfs/dbraw/zinc/08/06/81/614080681.db2.gz MYQPZXAPSOCEKW-JTQLQIEISA-N 0 1 284.316 0.958 20 5 CCBDMN COc1ccc(CN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000882878061 617248750 /nfs/dbraw/zinc/24/87/50/617248750.db2.gz OXHUJUSOWNNNLT-CHWSQXEVSA-N 0 1 294.307 0.681 20 5 CCBDMN CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974111549 613897284 /nfs/dbraw/zinc/89/72/84/613897284.db2.gz PWBDGWJKKGOGMC-UTINFBMNSA-N 0 1 283.328 0.461 20 5 CCBDMN CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000928727307 613952037 /nfs/dbraw/zinc/95/20/37/613952037.db2.gz KSFPZJCDBRMSPU-OPRDCNLKSA-N 0 1 283.328 0.557 20 5 CCBDMN CC(=O)N[C@@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837309124 613953858 /nfs/dbraw/zinc/95/38/58/613953858.db2.gz ASYKCBFBDVIREP-ZETCQYMHSA-N 0 1 282.252 0.868 20 5 CCBDMN CC(C)OC(=O)CC[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839748982 613989674 /nfs/dbraw/zinc/98/96/74/613989674.db2.gz YXBBPEXYCYSQIS-IVZWLZJFSA-N 0 1 272.301 0.888 20 5 CCBDMN CC(C)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839761984 614199196 /nfs/dbraw/zinc/19/91/96/614199196.db2.gz NVADXOCNZKXORV-OPRDCNLKSA-N 0 1 269.301 0.025 20 5 CCBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCC(C)CC1 ZINC000840672308 614431177 /nfs/dbraw/zinc/43/11/77/614431177.db2.gz HSWKRJKJFXKYDF-HBNTYKKESA-N 0 1 284.312 0.842 20 5 CCBDMN CCOC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC000853191164 615208509 /nfs/dbraw/zinc/20/85/09/615208509.db2.gz ZGMHEPYGOXPTDC-NXEZZACHSA-N 0 1 273.285 0.781 20 5 CCBDMN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840420418 615268680 /nfs/dbraw/zinc/26/86/80/615268680.db2.gz FPPUXABHCFANKO-JQCXWYLXSA-N 0 1 258.274 0.356 20 5 CCBDMN CCN1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000922164399 615324626 /nfs/dbraw/zinc/32/46/26/615324626.db2.gz LOFPZIZKOPGERN-QMMMGPOBSA-N 0 1 252.274 0.747 20 5 CCBDMN CCn1nncc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000836083021 615758673 /nfs/dbraw/zinc/75/86/73/615758673.db2.gz IAEMDZSLLNCHTF-UHFFFAOYSA-N 0 1 265.229 0.891 20 5 CCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000843723041 615808213 /nfs/dbraw/zinc/80/82/13/615808213.db2.gz XJHBJDQKLOFOMZ-HRDYMLBCSA-N 0 1 272.301 0.888 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000840475202 615867207 /nfs/dbraw/zinc/86/72/07/615867207.db2.gz WOAFZYFAZCEXMP-IJLUTSLNSA-N 0 1 264.281 0.844 20 5 CCBDMN CN(C(=O)C[N@@H+](C)CCC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000818457298 616069112 /nfs/dbraw/zinc/06/91/12/616069112.db2.gz QPAZQXVRCYLAKO-UHFFFAOYSA-N 0 1 295.295 0.964 20 5 CCBDMN C[N@@H+](CCCNC(=O)[O-])CCn1ccc([N+](=O)[O-])n1 ZINC000828302115 616075102 /nfs/dbraw/zinc/07/51/02/616075102.db2.gz KTQYEVWPBBUHLF-UHFFFAOYSA-N 0 1 271.277 0.381 20 5 CCBDMN CN(C[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)C(=O)[O-] ZINC000828223679 616137337 /nfs/dbraw/zinc/13/73/37/616137337.db2.gz ONNFRALVHFBAGG-JTQLQIEISA-N 0 1 297.315 0.866 20 5 CCBDMN COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673486 616333317 /nfs/dbraw/zinc/33/33/17/616333317.db2.gz PPOFTRWXNIXHOL-BWZBUEFSSA-N 0 1 287.268 0.352 20 5 CCBDMN CN1C[C@H](O)C[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000924983436 616488277 /nfs/dbraw/zinc/48/82/77/616488277.db2.gz CGEZTNGVDKIAAY-VHSXEESVSA-N 0 1 297.286 0.529 20 5 CCBDMN CN1C[C@H](O)C[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000924989821 616488776 /nfs/dbraw/zinc/48/87/76/616488776.db2.gz DRDLUATVLMSOLN-DTWKUNHWSA-N 0 1 297.286 0.529 20 5 CCBDMN COC(=O)C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1C ZINC000928172383 616662620 /nfs/dbraw/zinc/66/26/20/616662620.db2.gz BXZHRHKJRBXRIA-ZYUZMQFOSA-N 0 1 270.285 0.309 20 5 CCBDMN CO[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000832007871 616773440 /nfs/dbraw/zinc/77/34/40/616773440.db2.gz QWZXSCNRTPZFTH-JHJVBQTASA-N 0 1 282.296 0.320 20 5 CCBDMN CNC(=O)[C@@H](Cc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673395 616798125 /nfs/dbraw/zinc/79/81/25/616798125.db2.gz NKGGGCOZQIUOFJ-IJLUTSLNSA-N 0 1 292.291 0.552 20 5 CCBDMN COC[C@H]1C[C@@H](O)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844404124 616813323 /nfs/dbraw/zinc/81/33/23/616813323.db2.gz KALAEILGSUQFEK-MGPQQGTHSA-N 0 1 296.323 0.710 20 5 CCBDMN COC[C@H]1C[C@@H](O)CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844404539 616813496 /nfs/dbraw/zinc/81/34/96/616813496.db2.gz PLFVCFMMFXODDP-MGPQQGTHSA-N 0 1 296.323 0.710 20 5 CCBDMN CO[C@@H]1[C@H](C)[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839721158 616893688 /nfs/dbraw/zinc/89/36/88/616893688.db2.gz OJRQBFCBNFUGML-VVULQXIFSA-N 0 1 256.302 0.827 20 5 CCBDMN COC(=O)c1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839700754 616927614 /nfs/dbraw/zinc/92/76/14/616927614.db2.gz IDYXTIBYPLCFPT-GHMZBOCLSA-N 0 1 278.264 0.755 20 5 CCBDMN C[C@H](CNc1c([N+](=O)[O-])cnn1C)N1CCN(C)CC1 ZINC000892280087 622771871 /nfs/dbraw/zinc/77/18/71/622771871.db2.gz FXKSWWAOFCCEGK-SNVBAGLBSA-N 0 1 282.348 0.376 20 5 CCBDMN C[C@@H](Cn1ncc2ccccc2c1=O)NCC[N+](=O)[O-] ZINC000905192485 634814454 /nfs/dbraw/zinc/81/44/54/634814454.db2.gz UFDWGCJNPMIBJA-JTQLQIEISA-N 0 1 276.296 0.651 20 5 CCBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000840669698 631605808 /nfs/dbraw/zinc/60/58/08/631605808.db2.gz IEIYZLGDAIFBAX-XLPZGREQSA-N 0 1 259.258 0.925 20 5 CCBDMN Cc1csc(=O)n1CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670952 631671110 /nfs/dbraw/zinc/67/11/10/631671110.db2.gz NQVKGLGHOXDPNT-HTQZYQBOSA-N 0 1 272.282 0.427 20 5 CCBDMN C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672366 631686236 /nfs/dbraw/zinc/68/62/36/631686236.db2.gz KBOTUHUUYBHYJT-GWOFURMSSA-N 0 1 284.312 0.890 20 5 CCBDMN Cc1[nH]ncc1CN(C)c1c([N+](=O)[O-])cnn1C ZINC000894356641 631728228 /nfs/dbraw/zinc/72/82/28/631728228.db2.gz LMEPFGHOJHCLJT-UHFFFAOYSA-N 0 1 250.262 0.996 20 5 CCBDMN O=C(CCC1CC1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991279213 635833650 /nfs/dbraw/zinc/83/36/50/635833650.db2.gz JUZYYLVLSHKXCY-GHMZBOCLSA-N 0 1 281.312 0.169 20 5 CCBDMN O=C(NC1CCN(Cc2ccon2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002782053 639456382 /nfs/dbraw/zinc/45/63/82/639456382.db2.gz GLIDMDDQDDADNZ-VXGBXAGGSA-N 0 1 294.311 0.420 20 5 CCBDMN C[S@@](=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839694146 640351163 /nfs/dbraw/zinc/35/11/63/640351163.db2.gz TZNOWPXPPSZQFY-HFLVQMPGSA-N 0 1 296.348 0.888 20 5 CCBDMN O=C(N[C@H]1CCN(C2CCCCC2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839704982 640355178 /nfs/dbraw/zinc/35/51/78/640355178.db2.gz GQOLADQXYXHEDL-GRYCIOLGSA-N 0 1 295.339 0.701 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]2COCC[C@@H]21 ZINC000839713448 640356733 /nfs/dbraw/zinc/35/67/33/640356733.db2.gz SYOYLTUKLIWBMP-CHWFTXMASA-N 0 1 254.286 0.679 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](OC(F)F)C1 ZINC000839761041 640359205 /nfs/dbraw/zinc/35/92/05/640359205.db2.gz KOUKQVGTEHKWKA-RRKCRQDMSA-N 0 1 250.201 0.492 20 5 CCBDMN C[C@H](COC(=O)CCCCc1cn[nH]n1)[N+](=O)[O-] ZINC000813115028 641024701 /nfs/dbraw/zinc/02/47/01/641024701.db2.gz JDHMNYCRGMGTGU-MRVPVSSYSA-N 0 1 256.262 0.726 20 5 CCBDMN NC(=O)[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840330047 641098389 /nfs/dbraw/zinc/09/83/89/641098389.db2.gz QUFULOYJOSBRCD-IJLUTSLNSA-N 0 1 289.291 0.263 20 5 CCBDMN O=C(Nc1ccc2c(c1)C(=O)OC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840462671 641581951 /nfs/dbraw/zinc/58/19/51/641581951.db2.gz VRBGBNGANZVYRU-NXEZZACHSA-N 0 1 262.221 0.961 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCc2cc[nH]c(=O)c21 ZINC000823805245 641789481 /nfs/dbraw/zinc/78/94/81/641789481.db2.gz XPQIQNSEFCNLHE-RKDXNWHRSA-N 0 1 263.253 0.732 20 5 CCBDMN O=C(OC[C@H]1COc2cccnc2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000842368291 642893219 /nfs/dbraw/zinc/89/32/19/642893219.db2.gz UGTSEYDXHUUJJV-IWSPIJDZSA-N 0 1 280.236 0.430 20 5 CCBDMN O=C(NC[C@H](CO)Cc1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC000847904362 643565489 /nfs/dbraw/zinc/56/54/89/643565489.db2.gz TUIOKGDGKBENIN-IJLUTSLNSA-N 0 1 279.296 0.014 20 5 CCBDMN CCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019013828 650930253 /nfs/dbraw/zinc/93/02/53/650930253.db2.gz NADIZOLLFGXSCV-NXEZZACHSA-N 0 1 281.312 0.123 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000863057702 645058323 /nfs/dbraw/zinc/05/83/23/645058323.db2.gz IFSHDUYIJQVYHJ-SZEHBUNVSA-N 0 1 278.268 0.511 20 5 CCBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC=C[C@H]1CO ZINC000880488231 647211049 /nfs/dbraw/zinc/21/10/49/647211049.db2.gz ADBCIMSODUXAAB-NWDGAFQWSA-N 0 1 294.307 0.567 20 5 CCBDMN Cn1cc([C@]2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCO2)cn1 ZINC000890145565 648286003 /nfs/dbraw/zinc/28/60/03/648286003.db2.gz OLNXOKWVJXIZJV-NQBHXWOUSA-N 0 1 294.311 0.207 20 5 CCBDMN C[C@@](O)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(F)c1 ZINC000928470205 648641440 /nfs/dbraw/zinc/64/14/40/648641440.db2.gz MRABGPPTGCVLRL-NQBHXWOUSA-N 0 1 282.271 0.815 20 5 CCBDMN C[C@@H](O)[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000931616599 649008977 /nfs/dbraw/zinc/00/89/77/649008977.db2.gz BPJSYENQEJFUJS-LNLATYFQSA-N 0 1 254.286 0.987 20 5 CCBDMN C[C@](CO)(Cc1ccc(F)cc1)NCC[N+](=O)[O-] ZINC000933449609 649122852 /nfs/dbraw/zinc/12/28/52/649122852.db2.gz PTQWLIYKBAOBER-GFCCVEGCSA-N 0 1 256.277 0.986 20 5 CCBDMN O=C(NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001017217452 649602346 /nfs/dbraw/zinc/60/23/46/649602346.db2.gz JEYAQKPECWTYEF-VXGBXAGGSA-N 0 1 293.323 0.337 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(OC(=O)C[C@@H](C)O)n1 ZINC001231259493 805764385 /nfs/dbraw/zinc/76/43/85/805764385.db2.gz NCBSSXXGBNJXCI-ZCFIWIBFSA-N 0 1 256.214 0.680 20 5 CCBDMN C[C@@H](c1nnc(N2CCN(C)C(C)(C)C2)n1C)[N+](=O)[O-] ZINC001121298487 799028817 /nfs/dbraw/zinc/02/88/17/799028817.db2.gz WYYUJQOKAKWIAD-VIFPVBQESA-N 0 1 282.348 0.683 20 5 CCBDMN CCc1ccc(C(=O)N2CCNC[C@H]2CO)cc1[N+](=O)[O-] ZINC001122124327 799149315 /nfs/dbraw/zinc/14/93/15/799149315.db2.gz JIVCSYLTVRQMTE-LBPRGKRZSA-N 0 1 293.323 0.564 20 5 CCBDMN O=C(OCCc1cn2c(n1)CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001123036495 799342314 /nfs/dbraw/zinc/34/23/14/799342314.db2.gz UVNURXBEMDLNKG-GHMZBOCLSA-N 0 1 279.296 0.970 20 5 CCBDMN O=C(NC[C@H](O)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839475072 800026221 /nfs/dbraw/zinc/02/62/21/800026221.db2.gz XZRMCPFUZJETFH-MXWKQRLJSA-N 0 1 250.254 0.501 20 5 CCBDMN O=C(NCc1nc(C(F)F)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001142741649 800152135 /nfs/dbraw/zinc/15/21/35/800152135.db2.gz OOGPTPGDVZZUQF-QWWZWVQMSA-N 0 1 262.172 0.289 20 5 CCBDMN C[NH+](C)/C=C/c1cc(N[C@@H]2CO[N-]C2=O)ncc1[N+](=O)[O-] ZINC001156695289 801214238 /nfs/dbraw/zinc/21/42/38/801214238.db2.gz WDUJVENNQCEJNG-CDAZIORVSA-N 0 1 293.283 0.364 20 5 CCBDMN CN(C1CN(c2cc([N+](=O)[O-])cc[n+]2[O-])C1)[C@@H]1CCOC1 ZINC001165204255 802795004 /nfs/dbraw/zinc/79/50/04/802795004.db2.gz YGGAXMOLYXULHR-LLVKDONJSA-N 0 1 294.311 0.138 20 5 CCBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](OCc1nn[nH]n1)C2 ZINC001223030232 804949234 /nfs/dbraw/zinc/94/92/34/804949234.db2.gz UWQUEHWJNLVGSH-JTQLQIEISA-N 0 1 261.241 0.792 20 5 CCBDMN CN1CCC[C@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229452316 805536224 /nfs/dbraw/zinc/53/62/24/805536224.db2.gz PILIENVHRAGBQL-VIFPVBQESA-N 0 1 253.258 0.701 20 5 CCBDMN CCN1CC[C@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229454931 805536514 /nfs/dbraw/zinc/53/65/14/805536514.db2.gz SEHDIKLSVIKPTI-VIFPVBQESA-N 0 1 253.258 0.701 20 5 CCBDMN CNCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247428711 807461983 /nfs/dbraw/zinc/46/19/83/807461983.db2.gz QUBPVCWVUFUJST-UHFFFAOYSA-N 0 1 253.193 0.898 20 5 CCBDMN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@@H](O)CN2)n1 ZINC001247502668 807465512 /nfs/dbraw/zinc/46/55/12/807465512.db2.gz FHSPRTZZOXODQB-RQJHMYQMSA-N 0 1 295.230 0.574 20 5 CCBDMN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CNCCO2)n1 ZINC001247732393 807485209 /nfs/dbraw/zinc/48/52/09/807485209.db2.gz YLSMBLYGPDUHIT-MRVPVSSYSA-N 0 1 295.230 0.840 20 5 CCBDMN COC[C@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC001263261298 809500395 /nfs/dbraw/zinc/50/03/95/809500395.db2.gz ZIVIWZBLZIKXKN-GFCCVEGCSA-N 0 1 293.323 0.964 20 5 CCBDMN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc[nH]1)C2 ZINC001223007975 812066352 /nfs/dbraw/zinc/06/63/52/812066352.db2.gz TYEUJDFUTQDDBC-QMMMGPOBSA-N 0 1 265.229 0.492 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000692210922 812336253 /nfs/dbraw/zinc/33/62/53/812336253.db2.gz DNQFTNXKIYVMNM-UHFFFAOYSA-N 0 1 278.312 0.811 20 5 CCBDMN Cc1cc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC001031662167 817228535 /nfs/dbraw/zinc/22/85/35/817228535.db2.gz VYTFORQREFVTJZ-VXGBXAGGSA-N 0 1 294.311 0.196 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702040073 819046551 /nfs/dbraw/zinc/04/65/51/819046551.db2.gz VMYVBWJRVPAKTC-VIFPVBQESA-N 0 1 299.714 0.966 20 5 CCBDMN C/C=C(\C)C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062775882 820107152 /nfs/dbraw/zinc/10/71/52/820107152.db2.gz XKZNLYQYYQCZTE-VIXUHMKYSA-N 0 1 295.339 0.773 20 5 CCBDMN C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CCN1CCO ZINC000804625052 837549880 /nfs/dbraw/zinc/54/98/80/837549880.db2.gz GAIJVLFEYAILPX-SNVBAGLBSA-N 0 1 280.328 0.680 20 5 CCBDMN COC(=O)C[C@H]1COCCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035490 836109838 /nfs/dbraw/zinc/10/98/38/836109838.db2.gz BLOPGOZOHVUFCG-WOPDTQHZSA-N 0 1 286.328 0.696 20 5 CCBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC(N3CCOCC3)C2)C1 ZINC001169038388 836111584 /nfs/dbraw/zinc/11/15/84/836111584.db2.gz YKPDJCIVQFYOHX-NWDGAFQWSA-N 0 1 269.345 0.448 20 5 CCBDMN CC(=O)N(C)C1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037987 836111632 /nfs/dbraw/zinc/11/16/32/836111632.db2.gz UQPFXGJZJOFTCI-WDEREUQCSA-N 0 1 255.318 0.594 20 5 CCBDMN CCN1C[C@@H](C)N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1=O ZINC001169042105 836113803 /nfs/dbraw/zinc/11/38/03/836113803.db2.gz CWPGWQFPAVTDQY-UTUOFQBUSA-N 0 1 269.345 0.984 20 5 CCBDMN COC(=O)c1cc(NC[C@H]2COCCN2)cc([N+](=O)[O-])c1 ZINC001170044442 836781766 /nfs/dbraw/zinc/78/17/66/836781766.db2.gz LQGMTYUGJVDDKA-NSHDSACASA-N 0 1 295.295 0.782 20 5 CCBDMN CC[C@](N)(CO)Nc1cc([N+](=O)[O-])c(OC)cn1 ZINC001170856426 839434997 /nfs/dbraw/zinc/43/49/97/839434997.db2.gz BIMIQLGEUQJEQC-SNVBAGLBSA-N 0 1 256.262 0.468 20 5 CCBDMN CC[C@@](N)(CO)Nc1ncc([N+](=O)[O-])cc1NC ZINC001170857832 839436590 /nfs/dbraw/zinc/43/65/90/839436590.db2.gz KOBNSEOPWJLXCL-JTQLQIEISA-N 0 1 255.278 0.501 20 5 CCBDMN C[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1nnnn1C ZINC001176792968 842407254 /nfs/dbraw/zinc/40/72/54/842407254.db2.gz MDOJWPGRPQPDNT-ZETCQYMHSA-N 0 1 278.272 0.675 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@]12C[C@H]1COC2 ZINC001194949986 846424828 /nfs/dbraw/zinc/42/48/28/846424828.db2.gz MKBCWIGGPCLFOU-XVKPBYJWSA-N 0 1 285.281 0.057 20 5 CCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1=CCCC1 ZINC001299160085 891746938 /nfs/dbraw/zinc/74/69/38/891746938.db2.gz HTJSBAWBTIYGPJ-GHMZBOCLSA-N 0 1 293.323 0.527 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1NCc1n[nH]c(CO)n1 ZINC001307173808 906595686 /nfs/dbraw/zinc/59/56/86/906595686.db2.gz CJURQNNXDXQSDT-UHFFFAOYSA-N 0 1 264.245 0.521 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1NCc1nnc(CO)[nH]1 ZINC001307173808 906595691 /nfs/dbraw/zinc/59/56/91/906595691.db2.gz CJURQNNXDXQSDT-UHFFFAOYSA-N 0 1 264.245 0.521 20 5 CCBDMN CCCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001295163447 906688811 /nfs/dbraw/zinc/68/88/11/906688811.db2.gz QIOAJWONTXVFIQ-UTINFBMNSA-N 0 1 269.301 0.215 20 5 CCBDMN CC(C)C(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001492274975 907819874 /nfs/dbraw/zinc/81/98/74/907819874.db2.gz KXXYHNKYCHDXKE-NXEZZACHSA-N 0 1 271.317 0.272 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC001301214031 907960033 /nfs/dbraw/zinc/96/00/33/907960033.db2.gz YAWFIMFGMAQORU-ZETCQYMHSA-N 0 1 291.271 0.424 20 5 CCBDMN CO[C@H]1CCCN(NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001303797584 908115952 /nfs/dbraw/zinc/11/59/52/908115952.db2.gz NXZIYLQSFRNPNZ-ZETCQYMHSA-N 0 1 269.261 0.074 20 5 CCBDMN C[C@H](Nc1nn(C)cc1[N+](=O)[O-])C1N=NC(=O)N1C ZINC001307155007 908289218 /nfs/dbraw/zinc/28/92/18/908289218.db2.gz IQPJFLGPCIOYLE-YFKPBYRVSA-N 0 1 267.249 0.336 20 5 CCBDMN CCN1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001338208075 921398362 /nfs/dbraw/zinc/39/83/62/921398362.db2.gz DIKYEIFLCYEREH-VIFPVBQESA-N 0 1 268.321 0.295 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC(C(N)=O)CC2)c1[N+](=O)[O-] ZINC001318319002 909706120 /nfs/dbraw/zinc/70/61/20/909706120.db2.gz PQZFGALDHFVUFY-UHFFFAOYSA-N 0 1 295.299 0.218 20 5 CCBDMN O=C(CNc1ccccc1[N+](=O)[O-])NCCN1CC=CC1 ZINC001318890042 909910654 /nfs/dbraw/zinc/91/06/54/909910654.db2.gz FKKUTUXBBVBZAK-UHFFFAOYSA-N 0 1 290.323 0.995 20 5 CCBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(-c2ccc(-n3cnnn3)cc2)o1 ZINC001329308937 915808975 /nfs/dbraw/zinc/80/89/75/915808975.db2.gz GALXBRADWPGUNS-NXEZZACHSA-N 0 1 299.250 0.845 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)Cc2nnc(C)o2)c1[N+](=O)[O-] ZINC001334499146 919625490 /nfs/dbraw/zinc/62/54/90/919625490.db2.gz GSGSZHGVFOTXKE-UHFFFAOYSA-N 0 1 294.271 0.844 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC001342028870 922770486 /nfs/dbraw/zinc/77/04/86/922770486.db2.gz ICWMYWKPSUFLKE-SFYZADRCSA-N 0 1 268.273 0.469 20 5 CCBDMN COC[C@H]1CNCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC001343052913 923183375 /nfs/dbraw/zinc/18/33/75/923183375.db2.gz GREIMYUSTUNUKT-LLVKDONJSA-N 0 1 293.323 0.964 20 5 CCBDMN O=C(O[C@H]1CCCS(=O)(=O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC001343992901 923523613 /nfs/dbraw/zinc/52/36/13/923523613.db2.gz HQWFPSURLVMUEO-ZETCQYMHSA-N 0 1 288.281 0.657 20 5 CCBDMN C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C(=O)[O-] ZINC001345945101 924019747 /nfs/dbraw/zinc/01/97/47/924019747.db2.gz RHXLZTJEPYIXRH-KOLCDFICSA-N 0 1 282.300 0.834 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN2C)n1 ZINC001347502614 924464669 /nfs/dbraw/zinc/46/46/69/924464669.db2.gz LCFUFQSBMRFERP-VIFPVBQESA-N 0 1 281.316 0.542 20 5 CCBDMN CC(C)(C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001348934807 924846609 /nfs/dbraw/zinc/84/66/09/924846609.db2.gz YDKGCWZBZGCKKN-NXEZZACHSA-N 0 1 283.328 0.320 20 5 CCBDMN COCC[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC001354101148 926013309 /nfs/dbraw/zinc/01/33/09/926013309.db2.gz YIRJIQBOUOFPGQ-JTQLQIEISA-N 0 1 296.327 0.384 20 5 CCBDMN O=C(Cc1ncn[nH]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001445521373 930159607 /nfs/dbraw/zinc/15/96/07/930159607.db2.gz XBMWXTJQXBBKIV-UHFFFAOYSA-N 0 1 287.279 0.840 20 5 CCBDMN CC(C)(C)C(=O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001446181520 930360661 /nfs/dbraw/zinc/36/06/61/930360661.db2.gz FLRIQLHRFJPDQV-UHFFFAOYSA-N 0 1 254.246 0.663 20 5 CCBDMN CCc1nc(CNC(=O)c2nn(CC)cc2[N+](=O)[O-])n[nH]1 ZINC001450179066 931244272 /nfs/dbraw/zinc/24/42/72/931244272.db2.gz KCWFTDZWIKZSON-UHFFFAOYSA-N 0 1 293.287 0.422 20 5 CCBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC001589307693 953756675 /nfs/dbraw/zinc/75/66/75/953756675.db2.gz CEWUGPQMNSICHI-DTWKUNHWSA-N 0 1 268.273 0.934 20 5 CCBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC001589307693 953756683 /nfs/dbraw/zinc/75/66/83/953756683.db2.gz CEWUGPQMNSICHI-DTWKUNHWSA-N 0 1 268.273 0.934 20 5 CCBDMN C[N@H+]1CC[C@](O)(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598585982 993383558 /nfs/dbraw/zinc/38/35/58/993383558.db2.gz MYWNNKAPIPPGGM-ZDUSSCGKSA-N 0 1 295.295 0.772 20 5 CCBDMN O=C1NC[C@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CCN12 ZINC000091863878 349477234 /nfs/dbraw/zinc/47/72/34/349477234.db2.gz QCVHQYLRLIWEPJ-JTQLQIEISA-N 0 1 292.295 0.510 20 5 CCBDMN CC(C)OCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000124700070 187149293 /nfs/dbraw/zinc/14/92/93/187149293.db2.gz JSAYRKFNBWDBLU-UHFFFAOYSA-N 0 1 256.262 0.863 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000599632440 361764720 /nfs/dbraw/zinc/76/47/20/361764720.db2.gz NSPYHIAFWKIBBU-JGRMJRGVSA-N 0 1 298.368 0.777 20 5 CCBDMN C[C@H]1CNCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000125489574 187187811 /nfs/dbraw/zinc/18/78/11/187187811.db2.gz FDYURROXWFTADP-JTQLQIEISA-N 0 1 279.296 0.794 20 5 CCBDMN Cc1ccc(C(=O)NCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600525865 362003658 /nfs/dbraw/zinc/00/36/58/362003658.db2.gz FPNDZCOQRBUHNR-GFCCVEGCSA-N 0 1 293.323 0.700 20 5 CCBDMN CC[C@H](Nc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)NC ZINC000450938289 529455290 /nfs/dbraw/zinc/45/52/90/529455290.db2.gz ISUYQXINPDEWSS-QMMMGPOBSA-N 0 1 277.284 0.830 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[C@@H](O)C2)c1 ZINC000600532427 362004380 /nfs/dbraw/zinc/00/43/80/362004380.db2.gz HPLUEZTUOVUYLL-LLVKDONJSA-N 0 1 293.323 0.700 20 5 CCBDMN CC[C@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000456523089 529700167 /nfs/dbraw/zinc/70/01/67/529700167.db2.gz FAWOPDIBCOTTBY-JTQLQIEISA-N 0 1 295.343 0.885 20 5 CCBDMN C[C@@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000601782655 362390955 /nfs/dbraw/zinc/39/09/55/362390955.db2.gz ZBNOQWHIWSNBJX-IINYFYTJSA-N 0 1 295.339 0.869 20 5 CCBDMN Cc1ccc(CN2C[C@H](O)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000359972618 232123166 /nfs/dbraw/zinc/12/31/66/232123166.db2.gz GGOWKARCKUIXEF-NWDGAFQWSA-N 0 1 266.297 0.831 20 5 CCBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000339059138 282571179 /nfs/dbraw/zinc/57/11/79/282571179.db2.gz NPDAFIPHCXOWQW-LLVKDONJSA-N 0 1 265.269 0.621 20 5 CCBDMN COCCOC[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343511549 137139548 /nfs/dbraw/zinc/13/95/48/137139548.db2.gz DORRQGWVSFEOCG-ZETCQYMHSA-N 0 1 272.261 0.099 20 5 CCBDMN NC(=O)[C@H]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343407125 137132706 /nfs/dbraw/zinc/13/27/06/137132706.db2.gz VYNWKXBCBRXOEL-BQBZGAKWSA-N 0 1 281.272 0.092 20 5 CCBDMN O=C([O-])C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000002599516 347969777 /nfs/dbraw/zinc/96/97/77/347969777.db2.gz PSVJBHXZUXKYFO-UHFFFAOYSA-N 0 1 293.279 0.437 20 5 CCBDMN CCOC(=O)[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000344767615 137212406 /nfs/dbraw/zinc/21/24/06/137212406.db2.gz AVIADVFJTQGNRQ-QMMMGPOBSA-N 0 1 296.283 0.794 20 5 CCBDMN C[C@H](CN(C)C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000344965340 137224490 /nfs/dbraw/zinc/22/44/90/137224490.db2.gz XFOAWYVUBPASTP-SECBINFHSA-N 0 1 287.341 0.823 20 5 CCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1nnc[nH]1 ZINC000037921023 348218730 /nfs/dbraw/zinc/21/87/30/348218730.db2.gz CGXRJSQKLYCHIQ-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1nnc[nH]1 ZINC000037920361 348218760 /nfs/dbraw/zinc/21/87/60/348218760.db2.gz CTELKNGXOGEGIM-UHFFFAOYSA-N 0 1 277.240 0.408 20 5 CCBDMN Cc1nnnn1-c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000044522143 348321751 /nfs/dbraw/zinc/32/17/51/348321751.db2.gz OASARIFIPQYIGJ-GHMZBOCLSA-N 0 1 288.267 0.574 20 5 CCBDMN C[C@H](CO)N1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000347090026 137319712 /nfs/dbraw/zinc/31/97/12/137319712.db2.gz IOZZKYMCOLMSHF-SNVBAGLBSA-N 0 1 296.327 0.452 20 5 CCBDMN O=C(NCCCc1nc[nH]n1)c1cc([N+](=O)[O-])c[nH]1 ZINC000080570862 349219035 /nfs/dbraw/zinc/21/90/35/349219035.db2.gz BCICSBHUJQCZTR-UHFFFAOYSA-N 0 1 264.245 0.404 20 5 CCBDMN CC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000126225817 350140945 /nfs/dbraw/zinc/14/09/45/350140945.db2.gz IHRVYXBSKNWCGW-GFCCVEGCSA-N 0 1 280.328 0.883 20 5 CCBDMN CC(C)(C(=O)NOCC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000271355078 191091744 /nfs/dbraw/zinc/09/17/44/191091744.db2.gz FKUZQRMRXHONBQ-UHFFFAOYSA-N 0 1 281.268 0.406 20 5 CCBDMN CN(C)C1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000134897645 350379494 /nfs/dbraw/zinc/37/94/94/350379494.db2.gz RYXVIUWZKDJLDX-UHFFFAOYSA-N 0 1 264.285 0.563 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](OCCO)C2)c1 ZINC000174864600 351107608 /nfs/dbraw/zinc/10/76/08/351107608.db2.gz DIALNOGDONFKMZ-GFCCVEGCSA-N 0 1 284.316 0.265 20 5 CCBDMN O=C(NCC1(CO)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000187008472 351526556 /nfs/dbraw/zinc/52/65/56/351526556.db2.gz GBMZTNQJGMIQAS-UHFFFAOYSA-N 0 1 268.273 0.600 20 5 CCBDMN C[NH+]1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000186807994 351515886 /nfs/dbraw/zinc/51/58/86/351515886.db2.gz XCNQUMCEWWWOHN-UHFFFAOYSA-N 0 1 280.284 0.519 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1NCCCc1nc(=O)[nH][nH]1 ZINC000192639643 351792156 /nfs/dbraw/zinc/79/21/56/351792156.db2.gz AMJJGHGCNGJRMP-UHFFFAOYSA-N 0 1 295.303 0.576 20 5 CCBDMN Cc1sc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000122680637 187045329 /nfs/dbraw/zinc/04/53/29/187045329.db2.gz PCHVIDJAOLXTQC-UHFFFAOYSA-N 0 1 293.370 0.805 20 5 CCBDMN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000123372269 187087671 /nfs/dbraw/zinc/08/76/71/187087671.db2.gz GUTHHGRKPBVSMJ-RQJHMYQMSA-N 0 1 283.288 0.351 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000227195695 352040466 /nfs/dbraw/zinc/04/04/66/352040466.db2.gz WEHIXCNCCHBDKL-ONGXEEELSA-N 0 1 268.317 0.802 20 5 CCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1COCCN1 ZINC000235776118 352188793 /nfs/dbraw/zinc/18/87/93/352188793.db2.gz SVXJMNZRCZMFQM-JTQLQIEISA-N 0 1 279.296 0.621 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000236079165 352191146 /nfs/dbraw/zinc/19/11/46/352191146.db2.gz SGFVSJLFDGCUTP-JTQLQIEISA-N 0 1 299.714 0.966 20 5 CCBDMN Cn1c(C(=O)N[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000604431610 363196509 /nfs/dbraw/zinc/19/65/09/363196509.db2.gz HOFHOLUHLITQKJ-SECBINFHSA-N 0 1 278.312 0.900 20 5 CCBDMN C[C@@H](O)CC(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270813776 352989719 /nfs/dbraw/zinc/98/97/19/352989719.db2.gz OXJGZBWDRWCZOH-SSDOTTSWSA-N 0 1 270.289 0.845 20 5 CCBDMN CCc1nc([C@@H](C)NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])n[nH]1 ZINC000270816750 352989928 /nfs/dbraw/zinc/98/99/28/352989928.db2.gz YUPKUILXRTVFIK-ZCFIWIBFSA-N 0 1 293.287 0.798 20 5 CCBDMN O=C(NCC1(CCO)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000270827701 352991810 /nfs/dbraw/zinc/99/18/10/352991810.db2.gz HCEMVHSQTJMIGZ-UHFFFAOYSA-N 0 1 282.300 0.991 20 5 CCBDMN NC(=O)N[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272714737 353087455 /nfs/dbraw/zinc/08/74/55/353087455.db2.gz YNTYZXXVNGUPGM-MRVPVSSYSA-N 0 1 294.267 0.183 20 5 CCBDMN O=C(NCC(F)(F)CO)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274478411 353133710 /nfs/dbraw/zinc/13/37/10/353133710.db2.gz OGJQPDGRWOIPOT-UHFFFAOYSA-N 0 1 276.195 0.658 20 5 CCBDMN COC(=O)[C@]1(C)CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000275289180 353203313 /nfs/dbraw/zinc/20/33/13/353203313.db2.gz URSOOVDHQSZAOL-LBPRGKRZSA-N 0 1 296.283 0.794 20 5 CCBDMN COC(=O)[C@@]1(C)CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000275289178 353203363 /nfs/dbraw/zinc/20/33/63/353203363.db2.gz URSOOVDHQSZAOL-GFCCVEGCSA-N 0 1 296.283 0.794 20 5 CCBDMN CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000156258583 188252678 /nfs/dbraw/zinc/25/26/78/188252678.db2.gz GNBXFKMGVYYCAW-SFYZADRCSA-N 0 1 296.283 0.780 20 5 CCBDMN COC[C@@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000280288427 353352982 /nfs/dbraw/zinc/35/29/82/353352982.db2.gz QYSWXWAPRAYBPG-MRVPVSSYSA-N 0 1 270.241 0.038 20 5 CCBDMN CN1CCN(CCNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000282137614 353396893 /nfs/dbraw/zinc/39/68/93/353396893.db2.gz DDBGVRMDARVFRA-UHFFFAOYSA-N 0 1 279.344 0.836 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC(CC(N)=O)C2)c1[N+](=O)[O-] ZINC000280738031 353379703 /nfs/dbraw/zinc/37/97/03/353379703.db2.gz ZJSIOXSAYLXJPV-UHFFFAOYSA-N 0 1 295.299 0.389 20 5 CCBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H](C)CO ZINC000293905946 353850055 /nfs/dbraw/zinc/85/00/55/353850055.db2.gz FSHCFTWFSMSAMK-LURJTMIESA-N 0 1 256.262 0.469 20 5 CCBDMN CN1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298861011 353974388 /nfs/dbraw/zinc/97/43/88/353974388.db2.gz GYDJZXRUSHOGSY-UHFFFAOYSA-N 0 1 295.343 0.290 20 5 CCBDMN O=C(NC[C@@H]1CCC[C@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000305706948 354152298 /nfs/dbraw/zinc/15/22/98/354152298.db2.gz FBUNDSQSJGDNFM-SFYZADRCSA-N 0 1 268.273 0.599 20 5 CCBDMN C[N@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000271780050 191322920 /nfs/dbraw/zinc/32/29/20/191322920.db2.gz DIDVBPAYAQMCNV-UHFFFAOYSA-N 0 1 292.295 0.687 20 5 CCBDMN C[N@@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000271780050 191322922 /nfs/dbraw/zinc/32/29/22/191322922.db2.gz DIDVBPAYAQMCNV-UHFFFAOYSA-N 0 1 292.295 0.687 20 5 CCBDMN C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C(=O)[O-] ZINC000424265782 235190783 /nfs/dbraw/zinc/19/07/83/235190783.db2.gz IJRLGBRJBRRQSF-ONGXEEELSA-N 0 1 282.300 0.976 20 5 CCBDMN Cn1ccnc1[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000341715402 355721888 /nfs/dbraw/zinc/72/18/88/355721888.db2.gz FZJHESOSDPOVAB-SECBINFHSA-N 0 1 290.283 0.933 20 5 CCBDMN CCN1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000346062186 355867747 /nfs/dbraw/zinc/86/77/47/355867747.db2.gz XRWLFBZQYLOTHS-QWRGUYRKSA-N 0 1 295.343 0.732 20 5 CCBDMN C[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360183298 137982795 /nfs/dbraw/zinc/98/27/95/137982795.db2.gz CSTRIXQCZLYPES-SSDOTTSWSA-N 0 1 268.273 0.375 20 5 CCBDMN O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361916739 138037855 /nfs/dbraw/zinc/03/78/55/138037855.db2.gz SQZUNGMFOHRURK-SECBINFHSA-N 0 1 292.295 0.662 20 5 CCBDMN O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361916739 138037856 /nfs/dbraw/zinc/03/78/56/138037856.db2.gz SQZUNGMFOHRURK-SECBINFHSA-N 0 1 292.295 0.662 20 5 CCBDMN NC(=O)c1[nH]nnc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000362417684 138059002 /nfs/dbraw/zinc/05/90/02/138059002.db2.gz KAPYWMYYHRTTLL-UHFFFAOYSA-N 0 1 276.212 0.064 20 5 CCBDMN COCCN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000609269505 363486802 /nfs/dbraw/zinc/48/68/02/363486802.db2.gz RXXJTGRKQPOXRW-JTQLQIEISA-N 0 1 296.327 0.764 20 5 CCBDMN CN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000619871142 366365637 /nfs/dbraw/zinc/36/56/37/366365637.db2.gz XGTMGUWCXRCTJG-UHFFFAOYSA-N 0 1 295.343 0.734 20 5 CCBDMN Cc1cc([N+](=O)[O-])cn(Cc2nc(C(C)(C)N)no2)c1=O ZINC000573963116 359015675 /nfs/dbraw/zinc/01/56/75/359015675.db2.gz XMHIPYKZOHZSBV-UHFFFAOYSA-N 0 1 293.283 0.690 20 5 CCBDMN CCC[C@H](C)[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000584059007 359165165 /nfs/dbraw/zinc/16/51/65/359165165.db2.gz WXXCWCIZBRBXRA-YUMQZZPRSA-N 0 1 270.289 0.845 20 5 CCBDMN CCC[C@@H](C)[C@@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000584059004 359165233 /nfs/dbraw/zinc/16/52/33/359165233.db2.gz WXXCWCIZBRBXRA-HTQZYQBOSA-N 0 1 270.289 0.845 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCN([C@@H]3CCOC3)CC2)c1 ZINC000610910050 363629946 /nfs/dbraw/zinc/62/99/46/363629946.db2.gz KNAIXMFGZGWKMV-GFCCVEGCSA-N 0 1 295.343 0.198 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCNC[C@@H]2C)n1 ZINC000584779577 359204414 /nfs/dbraw/zinc/20/44/14/359204414.db2.gz UMCNCQCRYXWKMV-QMMMGPOBSA-N 0 1 267.289 0.245 20 5 CCBDMN C[C@H](C[C@@H]1CCOC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000611212571 363683306 /nfs/dbraw/zinc/68/33/06/363683306.db2.gz QTRXQVSQCLTJFD-SFYZADRCSA-N 0 1 268.273 0.863 20 5 CCBDMN C[C@H](CCCO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594758633 360376861 /nfs/dbraw/zinc/37/68/61/360376861.db2.gz IBBAOBPNSGOVNV-MRVPVSSYSA-N 0 1 289.313 0.429 20 5 CCBDMN C[C@@H](C[NH+](C)C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594778221 360381562 /nfs/dbraw/zinc/38/15/62/360381562.db2.gz FCUAFMGSUWKUQE-QMMMGPOBSA-N 0 1 288.329 0.218 20 5 CCBDMN Cc1noc(CN(C)Cc2n[nH]c(=O)o2)c1[N+](=O)[O-] ZINC000595546250 360573776 /nfs/dbraw/zinc/57/37/76/360573776.db2.gz MSOHMPNISXFYDB-UHFFFAOYSA-N 0 1 269.217 0.612 20 5 CCBDMN C[C@H](O)CN1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596110230 360797206 /nfs/dbraw/zinc/79/72/06/360797206.db2.gz KIALUGPNFRGHDZ-VIFPVBQESA-N 0 1 281.316 0.075 20 5 CCBDMN C[C@H]1CN(CCO)CCN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596266613 360859207 /nfs/dbraw/zinc/85/92/07/360859207.db2.gz VGQSJIAPGBKYGO-VIFPVBQESA-N 0 1 281.316 0.075 20 5 CCBDMN CC(C)(C)C[C@@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179361060 189188879 /nfs/dbraw/zinc/18/88/79/189188879.db2.gz OICARBADILPBBH-SSDOTTSWSA-N 0 1 270.289 0.845 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCO[C@H](OC)C2)c1[N+](=O)[O-] ZINC000597541989 361133058 /nfs/dbraw/zinc/13/30/58/361133058.db2.gz XVXZXKVKPUXKCW-QMMMGPOBSA-N 0 1 284.272 0.325 20 5 CCBDMN C[C@H]1CN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000597997093 361304719 /nfs/dbraw/zinc/30/47/19/361304719.db2.gz LBKPUDYPUGIKRW-IUCAKERBSA-N 0 1 297.315 0.157 20 5 CCBDMN Cc1nn(C)c(NCCCc2nc(=O)[nH][nH]2)c1[N+](=O)[O-] ZINC000301419315 201001899 /nfs/dbraw/zinc/00/18/99/201001899.db2.gz DGHUSKIGWKGQNG-UHFFFAOYSA-N 0 1 281.276 0.093 20 5 CCBDMN O=C(NCCO[C@H]1CC1(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000598140479 361343293 /nfs/dbraw/zinc/34/32/93/361343293.db2.gz YCTWUHYCQJOYBC-LURJTMIESA-N 0 1 276.199 0.472 20 5 CCBDMN CN(C[C@H]1COCCO1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598185773 361351247 /nfs/dbraw/zinc/35/12/47/361351247.db2.gz XGIXOJGLIPLNHG-LBPRGKRZSA-N 0 1 296.279 0.788 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3COC[C@]3(C)C2)c1[N+](=O)[O-] ZINC000598233389 361359694 /nfs/dbraw/zinc/35/96/94/361359694.db2.gz VNGNAPCWYYSYMQ-PELKAZGASA-N 0 1 280.284 0.735 20 5 CCBDMN CN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1=O ZINC000598294555 361383039 /nfs/dbraw/zinc/38/30/39/361383039.db2.gz VVKHPEDLTJUSSX-UHFFFAOYSA-N 0 1 293.279 0.605 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H]3COC[C@H]3C2)c1[N+](=O)[O-] ZINC000598397569 361404277 /nfs/dbraw/zinc/40/42/77/361404277.db2.gz WCNJTDCRXKTDIQ-RKDXNWHRSA-N 0 1 280.284 0.735 20 5 CCBDMN Cc1nn(C)c(NCCN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599199845 361608429 /nfs/dbraw/zinc/60/84/29/361608429.db2.gz SOWRGHVFQDERAP-VIFPVBQESA-N 0 1 269.305 0.115 20 5 CCBDMN C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CCC1 ZINC000599266954 361627191 /nfs/dbraw/zinc/62/71/91/361627191.db2.gz VWLHKYFVDHIBLN-ZETCQYMHSA-N 0 1 288.329 0.795 20 5 CCBDMN C/C=C\CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599475640 361715400 /nfs/dbraw/zinc/71/54/00/361715400.db2.gz VHHKRLKYQUSMBR-ARJAWSKDSA-N 0 1 260.275 0.183 20 5 CCBDMN O=C(C[C@@H]1COCCN1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000262061153 283863192 /nfs/dbraw/zinc/86/31/92/283863192.db2.gz IOCKEWAMSHEIDI-LLVKDONJSA-N 0 1 291.307 0.862 20 5 CCBDMN CC(C)(C(=O)NCCc1nc[nH]n1)n1cc([N+](=O)[O-])cn1 ZINC000565201059 291357957 /nfs/dbraw/zinc/35/79/57/291357957.db2.gz RJGQIFSFVZHLST-UHFFFAOYSA-N 0 1 293.287 0.003 20 5 CCBDMN CCN1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000330671045 203099231 /nfs/dbraw/zinc/09/92/31/203099231.db2.gz ZXTSCLCZQUVNAF-SECBINFHSA-N 0 1 281.316 0.840 20 5 CCBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN([C@H]3COC[C@H]3O)C2)nc1 ZINC000463092263 249081867 /nfs/dbraw/zinc/08/18/67/249081867.db2.gz WVRCMUFVYQTKJQ-ZMLRMANQSA-N 0 1 294.311 0.236 20 5 CCBDMN O=C(NC[C@H]1CCSC1)c1n[nH]cc1[N+](=O)[O-] ZINC000279253342 194353735 /nfs/dbraw/zinc/35/37/35/194353735.db2.gz SFMJCYTVLBMFQK-ZCFIWIBFSA-N 0 1 256.287 0.801 20 5 CCBDMN CNc1nc(C(=O)N2CCNC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000455856784 533074275 /nfs/dbraw/zinc/07/42/75/533074275.db2.gz OIOOYRVSTSSVHG-UHFFFAOYSA-N 0 1 293.327 0.856 20 5 CCBDMN CCc1nn(C)c(NCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000322322740 285179884 /nfs/dbraw/zinc/17/98/84/285179884.db2.gz IGGAJKYAGKMJAB-UHFFFAOYSA-N 0 1 297.359 0.759 20 5 CCBDMN O=C(N[C@@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000288408304 197070237 /nfs/dbraw/zinc/07/02/37/197070237.db2.gz GNLLVRHEARWLKT-SNVBAGLBSA-N 0 1 297.311 0.764 20 5 CCBDMN C[C@H](O)CN1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000287038876 388847549 /nfs/dbraw/zinc/84/75/49/388847549.db2.gz WJVGAKWEFPIWLO-JTQLQIEISA-N 0 1 280.328 0.680 20 5 CCBDMN COC(=O)CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000193162367 389062054 /nfs/dbraw/zinc/06/20/54/389062054.db2.gz DEWSPGNEJWRXEL-UHFFFAOYSA-N 0 1 292.251 0.716 20 5 CCBDMN O=C(NCCCOC(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000338288331 389107085 /nfs/dbraw/zinc/10/70/85/389107085.db2.gz ZEMSERXJHLHMGE-UHFFFAOYSA-N 0 1 264.188 0.677 20 5 CCBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357446346 389134789 /nfs/dbraw/zinc/13/47/89/389134789.db2.gz BZWVJQBKDUUUGK-DTWKUNHWSA-N 0 1 293.327 0.618 20 5 CCBDMN Cc1cc(N2C[C@H](O)[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000235973788 389166936 /nfs/dbraw/zinc/16/69/36/389166936.db2.gz HZIWZEHXKNDVPU-KBPBESRZSA-N 0 1 289.291 0.993 20 5 CCBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1COC[C@H]1O ZINC000342348601 389210980 /nfs/dbraw/zinc/21/09/80/389210980.db2.gz NGPONRNMHNTDPS-WDEREUQCSA-N 0 1 282.252 0.132 20 5 CCBDMN C[C@H](O)CN1CCN(c2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000264296536 389318927 /nfs/dbraw/zinc/31/89/27/389318927.db2.gz CKWGAVILLVGIMH-ZJUUUORDSA-N 0 1 283.332 0.220 20 5 CCBDMN Cc1n[nH]c(C(=O)N[C@H]2CCCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000345310814 389302012 /nfs/dbraw/zinc/30/20/12/389302012.db2.gz CRIIXHZSQCCOPY-BDAKNGLRSA-N 0 1 281.316 0.839 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CCNC(=O)CC2)c1[N+](=O)[O-] ZINC000269337657 389414083 /nfs/dbraw/zinc/41/40/83/389414083.db2.gz GYNXRIRJMMQFBI-UHFFFAOYSA-N 0 1 295.299 0.403 20 5 CCBDMN CCCc1n[nH]c(C(=O)N2CCNCC2)c1[N+](=O)[O-] ZINC000159419461 389366311 /nfs/dbraw/zinc/36/63/11/389366311.db2.gz BUDQGGONNZZBPZ-UHFFFAOYSA-N 0 1 267.289 0.316 20 5 CCBDMN C[C@@H](CO)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000271149986 389438821 /nfs/dbraw/zinc/43/88/21/389438821.db2.gz QDMPMPITBRMLTB-SSDOTTSWSA-N 0 1 256.262 0.456 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000374625494 389593858 /nfs/dbraw/zinc/59/38/58/389593858.db2.gz BPAWPIGMXBXPJQ-RAIGVLPGSA-N 0 1 298.339 0.696 20 5 CCBDMN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCCN1C ZINC000352105786 389754220 /nfs/dbraw/zinc/75/42/20/389754220.db2.gz VSBHTYYSHDKTRV-KWQFWETISA-N 0 1 293.327 0.785 20 5 CCBDMN CS(=O)(=O)N1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000400203711 389797040 /nfs/dbraw/zinc/79/70/40/389797040.db2.gz POOPYFRCCHXLQT-LLVKDONJSA-N 0 1 299.352 0.718 20 5 CCBDMN CN(C)C1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000442562073 389848876 /nfs/dbraw/zinc/84/88/76/389848876.db2.gz XZORTQXKFORZQQ-UHFFFAOYSA-N 0 1 292.295 0.306 20 5 CCBDMN Cc1noc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000443193137 389874822 /nfs/dbraw/zinc/87/48/22/389874822.db2.gz VANFRDREAJXLCH-UHFFFAOYSA-N 0 1 298.280 0.765 20 5 CCBDMN C[N@H+]1CC[C@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436966657 389988691 /nfs/dbraw/zinc/98/86/91/389988691.db2.gz OLDUWUJOMMOJBJ-ZDUSSCGKSA-N 0 1 295.295 0.097 20 5 CCBDMN CCc1nc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000479210050 390081521 /nfs/dbraw/zinc/08/15/21/390081521.db2.gz CJEHLCQDKRYXQD-UHFFFAOYSA-N 0 1 293.287 0.846 20 5 CCBDMN CCc1n[nH]c(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n1 ZINC000479210050 390081522 /nfs/dbraw/zinc/08/15/22/390081522.db2.gz CJEHLCQDKRYXQD-UHFFFAOYSA-N 0 1 293.287 0.846 20 5 CCBDMN C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000479590836 390081893 /nfs/dbraw/zinc/08/18/93/390081893.db2.gz WIJWOEDSSXYPQJ-SSDOTTSWSA-N 0 1 293.287 0.522 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000521527819 390609375 /nfs/dbraw/zinc/60/93/75/390609375.db2.gz LJACLMMFACEOHY-SMDDNHRTSA-N 0 1 296.323 0.649 20 5 CCBDMN O=C([O-])[C@@H]1CSCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000577887985 390852232 /nfs/dbraw/zinc/85/22/32/390852232.db2.gz DLVGMEOPHIEKJR-VIFPVBQESA-N 0 1 286.313 0.293 20 5 CCBDMN CC(=O)NCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269287814 132149701 /nfs/dbraw/zinc/14/97/01/132149701.db2.gz OMDCINGJLVMQIP-UHFFFAOYSA-N 0 1 267.241 0.166 20 5 CCBDMN Cc1nnsc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000355803626 143952351 /nfs/dbraw/zinc/95/23/51/143952351.db2.gz LYAFZFGEUQPBRC-UHFFFAOYSA-N 0 1 268.258 0.408 20 5 CCBDMN Cn1cncc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356776011 144031739 /nfs/dbraw/zinc/03/17/39/144031739.db2.gz NBTGLFXFMXJWOC-UHFFFAOYSA-N 0 1 276.252 0.964 20 5 CCBDMN C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356806323 144035083 /nfs/dbraw/zinc/03/50/83/144035083.db2.gz SDBFSUUVSHBJCS-PELKAZGASA-N 0 1 296.279 0.522 20 5 CCBDMN CCC[C@@H]1CNCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000359230090 144204127 /nfs/dbraw/zinc/20/41/27/144204127.db2.gz PGDITVAUESMIDH-SNVBAGLBSA-N 0 1 281.316 0.392 20 5 CCBDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H](c2nc[nH]n2)C1 ZINC000370308586 144297037 /nfs/dbraw/zinc/29/70/37/144297037.db2.gz IJBXMTBDGDKFPV-DJLDLDEBSA-N 0 1 265.273 0.176 20 5 CCBDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371280036 144325276 /nfs/dbraw/zinc/32/52/76/144325276.db2.gz MVWCONUGVDFTJB-BRDIYROLSA-N 0 1 250.258 0.048 20 5 CCBDMN O=C(NCCc1cn2c(n1)CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000372530156 144371579 /nfs/dbraw/zinc/37/15/79/144371579.db2.gz YXKHDLAGPWCWPO-GHMZBOCLSA-N 0 1 278.312 0.543 20 5 CCBDMN C[C@@H](NCCNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000020203769 171068750 /nfs/dbraw/zinc/06/87/50/171068750.db2.gz VHDQRQPLYPTRPV-SECBINFHSA-N 0 1 287.341 0.795 20 5 CCBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)N1C ZINC000338791567 274369681 /nfs/dbraw/zinc/36/96/81/274369681.db2.gz FVWZSNOOXPWVOR-HTQZYQBOSA-N 0 1 266.305 0.326 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000125333814 274376097 /nfs/dbraw/zinc/37/60/97/274376097.db2.gz XDYOJMWNTUSLLU-MRVPVSSYSA-N 0 1 289.295 0.905 20 5 CCBDMN CCn1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000565594146 326965523 /nfs/dbraw/zinc/96/55/23/326965523.db2.gz JOSBRELSUJXKQB-LBPRGKRZSA-N 0 1 294.315 0.158 20 5 CCBDMN NC(=O)[C@]1(NCCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000581556481 336102258 /nfs/dbraw/zinc/10/22/58/336102258.db2.gz IJPLUMGQWQHTBX-ZDUSSCGKSA-N 0 1 295.295 0.208 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCNC(=O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000369805308 523666053 /nfs/dbraw/zinc/66/60/53/523666053.db2.gz LRURKFTWFVQDTK-ZETCQYMHSA-N 0 1 295.299 0.231 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425518515 534889139 /nfs/dbraw/zinc/88/91/39/534889139.db2.gz VKAVAQPHKWEGPE-LLVKDONJSA-N 0 1 291.315 0.720 20 5 CCBDMN O=[N+]([O-])c1cccc(CN[C@@]2(CO)CCOC2)c1 ZINC000184195834 527386722 /nfs/dbraw/zinc/38/67/22/527386722.db2.gz MDOKYKJGQYCUMH-GFCCVEGCSA-N 0 1 252.270 0.836 20 5 CCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)NCCN1CC=CCC1 ZINC000357629269 527559089 /nfs/dbraw/zinc/55/90/89/527559089.db2.gz FDDUUOWOMJMEOE-UHFFFAOYSA-N 0 1 279.300 0.320 20 5 CCBDMN CCCN(CC(N)=O)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000346952846 535293163 /nfs/dbraw/zinc/29/31/63/535293163.db2.gz ZVOHYTFPYNGQAL-UHFFFAOYSA-N 0 1 281.268 0.638 20 5 CCBDMN CCc1cnc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC000352044209 536051537 /nfs/dbraw/zinc/05/15/37/536051537.db2.gz GGKOAFVFNXGXJW-UHFFFAOYSA-N 0 1 265.229 0.798 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@]23CCOC3=O)c1[N+](=O)[O-] ZINC000779252369 581178178 /nfs/dbraw/zinc/17/81/78/581178178.db2.gz ICSQVBIDXBQXKI-GFCCVEGCSA-N 0 1 294.267 0.548 20 5 CCBDMN Cc1ccc(S(=O)(=O)Nc2cnnn2C)cc1[N+](=O)[O-] ZINC000788205181 581485354 /nfs/dbraw/zinc/48/53/54/581485354.db2.gz IDOXBIRMDOFXAX-UHFFFAOYSA-N 0 1 297.296 0.833 20 5 CCBDMN Cc1nnc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]1 ZINC000770641533 581759138 /nfs/dbraw/zinc/75/91/38/581759138.db2.gz YBAQCOALQKKJKK-UHFFFAOYSA-N 0 1 251.202 0.706 20 5 CCBDMN CCc1nc(Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000775208804 582014667 /nfs/dbraw/zinc/01/46/67/582014667.db2.gz DLYIDPKXBVSDPE-UHFFFAOYSA-N 0 1 294.227 0.394 20 5 CCBDMN CC1(C)OC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])O1 ZINC000764603865 582057668 /nfs/dbraw/zinc/05/76/68/582057668.db2.gz FYRUJAJYDGMSMV-LURJTMIESA-N 0 1 270.245 0.199 20 5 CCBDMN CC1(C)OC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])O1 ZINC000764603870 582057739 /nfs/dbraw/zinc/05/77/39/582057739.db2.gz FYRUJAJYDGMSMV-ZCFIWIBFSA-N 0 1 270.245 0.199 20 5 CCBDMN O=C(NCc1cccc(F)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000765049574 582085993 /nfs/dbraw/zinc/08/59/93/582085993.db2.gz ZKHNBGBAKZCTPG-UHFFFAOYSA-N 0 1 265.204 0.782 20 5 CCBDMN O=C([O-])NC[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000832572262 603711014 /nfs/dbraw/zinc/71/10/14/603711014.db2.gz AMJMQURTCKUCCG-SECBINFHSA-N 0 1 283.288 0.523 20 5 CCBDMN COc1cc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1O ZINC000839683735 617183724 /nfs/dbraw/zinc/18/37/24/617183724.db2.gz PQPIPIIGMQPIKG-NXEZZACHSA-N 0 1 280.280 0.725 20 5 CCBDMN C[C@H]1[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C(=O)[O-] ZINC000833830735 606041618 /nfs/dbraw/zinc/04/16/18/606041618.db2.gz XGZHQJQHAYZKIB-UWVGGRQHSA-N 0 1 297.315 0.864 20 5 CCBDMN C[C@H]1[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C(=O)[O-] ZINC000833830735 606041621 /nfs/dbraw/zinc/04/16/21/606041621.db2.gz XGZHQJQHAYZKIB-UWVGGRQHSA-N 0 1 297.315 0.864 20 5 CCBDMN CC(C)(CCC(=O)NCCN1CCSCC1)[N+](=O)[O-] ZINC000823282611 614081184 /nfs/dbraw/zinc/08/11/84/614081184.db2.gz ULXHARUVQROOLA-UHFFFAOYSA-N 0 1 289.401 0.987 20 5 CCBDMN C/C=C/C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OCC ZINC000840421755 613181407 /nfs/dbraw/zinc/18/14/07/613181407.db2.gz XGLFOLUDJCPICM-MIAVJJHVSA-N 0 1 270.285 0.666 20 5 CCBDMN C/C=C(/C)C(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946204274 613276291 /nfs/dbraw/zinc/27/62/91/613276291.db2.gz NCSCGONUOGICHX-BTRLNGJCSA-N 0 1 295.339 0.725 20 5 CCBDMN CC(C)OCCON=c1[nH]ccc(C(N)=O)c1[N+](=O)[O-] ZINC000812489172 614021822 /nfs/dbraw/zinc/02/18/22/614021822.db2.gz UMZFTJGPVVWXRR-UHFFFAOYSA-N 0 1 284.272 0.857 20 5 CCBDMN CC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840418680 614230616 /nfs/dbraw/zinc/23/06/16/614230616.db2.gz IGCBHSFQFOIDSL-JHJVBQTASA-N 0 1 276.292 0.968 20 5 CCBDMN CC(C)=CC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000943843951 614242416 /nfs/dbraw/zinc/24/24/16/614242416.db2.gz KIWNPFVVMJWUNR-VXGBXAGGSA-N 0 1 295.339 0.725 20 5 CCBDMN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000839491644 614506107 /nfs/dbraw/zinc/50/61/07/614506107.db2.gz QASBBDDDAZEEEB-OPRDCNLKSA-N 0 1 290.341 0.077 20 5 CCBDMN CCC(CC)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673270 614573557 /nfs/dbraw/zinc/57/35/57/614573557.db2.gz WXOODEZKHXQDEG-SZEHBUNVSA-N 0 1 272.301 0.888 20 5 CCBDMN CCCNC(=O)CCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840674899 614845573 /nfs/dbraw/zinc/84/55/73/614845573.db2.gz RLHUOXPSVMVXPP-RKDXNWHRSA-N 0 1 258.274 0.501 20 5 CCBDMN CCC[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OCC ZINC000839750144 614988061 /nfs/dbraw/zinc/98/80/61/614988061.db2.gz ZRNLLMGEOJXZLG-IVZWLZJFSA-N 0 1 272.301 0.747 20 5 CCBDMN CCN1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000935073008 615149717 /nfs/dbraw/zinc/14/97/17/615149717.db2.gz YTAXDVHPYCKUJT-JTQLQIEISA-N 0 1 295.343 0.652 20 5 CCBDMN CCOC(=O)C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000842326269 615209663 /nfs/dbraw/zinc/20/96/63/615209663.db2.gz ALOJPSGLQQKKKO-OPRDCNLKSA-N 0 1 271.269 0.927 20 5 CCBDMN CCN1CC[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000819297218 615235925 /nfs/dbraw/zinc/23/59/25/615235925.db2.gz BIHYGRUOCQZYBR-CHWSQXEVSA-N 0 1 293.323 0.839 20 5 CCBDMN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000839503278 615468335 /nfs/dbraw/zinc/46/83/35/615468335.db2.gz HYLZCHFEKHUEKA-BGZDPUMWSA-N 0 1 258.274 0.356 20 5 CCBDMN CCOc1cccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839703395 615516040 /nfs/dbraw/zinc/51/60/40/615516040.db2.gz KRHLLZAZLAHRJR-GHMZBOCLSA-N 0 1 279.296 0.804 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000840475203 615867337 /nfs/dbraw/zinc/86/73/37/615867337.db2.gz WOAFZYFAZCEXMP-UTUOFQBUSA-N 0 1 264.281 0.844 20 5 CCBDMN C[NH+](C)CCO[N-]C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000846231933 615907665 /nfs/dbraw/zinc/90/76/65/615907665.db2.gz JZERGSUARSWPSH-UHFFFAOYSA-N 0 1 285.275 0.886 20 5 CCBDMN CC[C@]1(CO)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839730256 615994423 /nfs/dbraw/zinc/99/44/23/615994423.db2.gz DFBWVEJWAMESJV-FOGDFJRCSA-N 0 1 256.302 0.663 20 5 CCBDMN CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839465569 616147382 /nfs/dbraw/zinc/14/73/82/616147382.db2.gz XRXMSWCRDIEYCZ-GMTAPVOTSA-N 0 1 292.291 0.950 20 5 CCBDMN CN(C[C@H]1CCCC[C@H]1O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839720531 616152488 /nfs/dbraw/zinc/15/24/88/616152488.db2.gz LQKGJVDHZSKERF-GWOFURMSSA-N 0 1 256.302 0.661 20 5 CCBDMN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000863328740 616302225 /nfs/dbraw/zinc/30/22/25/616302225.db2.gz CITADWNOEAVLDQ-PZWNZHSQSA-N 0 1 296.323 0.842 20 5 CCBDMN COC(=O)CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000840382839 616505837 /nfs/dbraw/zinc/50/58/37/616505837.db2.gz PULPKNBFYJQJHQ-HTQZYQBOSA-N 0 1 256.258 0.254 20 5 CCBDMN COCC(=O)Nc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840347798 616704230 /nfs/dbraw/zinc/70/42/30/616704230.db2.gz XGRVUYMIUVNZDN-GHMZBOCLSA-N 0 1 294.263 0.842 20 5 CCBDMN COCC1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000905970413 616823617 /nfs/dbraw/zinc/82/36/17/616823617.db2.gz HSHLZYXNSAEEHG-CYBMUJFWSA-N 0 1 296.323 0.913 20 5 CCBDMN COC[C@@H]1C[C@@H](O)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844392512 616991403 /nfs/dbraw/zinc/99/14/03/616991403.db2.gz KALAEILGSUQFEK-MJBXVCDLSA-N 0 1 296.323 0.710 20 5 CCBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccoc1 ZINC000973873594 625362134 /nfs/dbraw/zinc/36/21/34/625362134.db2.gz AIECBOSFRXTGEI-LMLFDSFASA-N 0 1 293.279 0.322 20 5 CCBDMN O=C1NCCN1c1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905419611 634862228 /nfs/dbraw/zinc/86/22/28/634862228.db2.gz PHIDPXVLHXHFMW-UHFFFAOYSA-N 0 1 264.285 0.583 20 5 CCBDMN CC(C)(C)CC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991282179 635836483 /nfs/dbraw/zinc/83/64/83/635836483.db2.gz XQZKKRNECWQROM-NXEZZACHSA-N 0 1 283.328 0.415 20 5 CCBDMN O=C(NC1CN(C(=O)C2(CF)CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991287242 635849069 /nfs/dbraw/zinc/84/90/69/635849069.db2.gz QPSWIMLQZJYQEC-NXEZZACHSA-N 0 1 299.302 0.118 20 5 CCBDMN O=C(COc1cccc([N+](=O)[O-])c1)NC12CCN(CC1)C2 ZINC000913627653 637387756 /nfs/dbraw/zinc/38/77/56/637387756.db2.gz SWPFDDOIJLYSAG-UHFFFAOYSA-N 0 1 291.307 0.938 20 5 CCBDMN O=C(NC[C@H](O)c1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839586366 640345661 /nfs/dbraw/zinc/34/56/61/640345661.db2.gz NQEQQVWWMHIUJI-MXWKQRLJSA-N 0 1 268.244 0.641 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000839624738 640346513 /nfs/dbraw/zinc/34/65/13/640346513.db2.gz FGQWEGZWIMFSQB-LNFKQOIKSA-N 0 1 283.328 0.557 20 5 CCBDMN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839685795 640350021 /nfs/dbraw/zinc/35/00/21/640350021.db2.gz IPAWQGJVNIRYIP-XBHWKFBLSA-N 0 1 260.315 0.020 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)S1=O ZINC000839734452 640355280 /nfs/dbraw/zinc/35/52/80/640355280.db2.gz SOHYOMMVEVDMOQ-FNCVBFRFSA-N 0 1 260.315 0.020 20 5 CCBDMN O=C(N[C@@H]1CCCCC12OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000839711118 640357144 /nfs/dbraw/zinc/35/71/44/640357144.db2.gz YMNGVDBUZYJMSJ-OPRDCNLKSA-N 0 1 270.285 0.454 20 5 CCBDMN Cn1nc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc21 ZINC000839726184 640357904 /nfs/dbraw/zinc/35/79/04/640357904.db2.gz NXIHGVHZWRWEFI-BXKDBHETSA-N 0 1 274.280 0.855 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000839783732 640364660 /nfs/dbraw/zinc/36/46/60/640364660.db2.gz LDFDZTOOLIENDC-KQSJRHEJSA-N 0 1 268.313 0.804 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(=O)N(CCC(F)(F)F)C1 ZINC000839783140 640365024 /nfs/dbraw/zinc/36/50/24/640365024.db2.gz DYNATYZLPHQDON-RNFRBKRXSA-N 0 1 295.217 0.232 20 5 CCBDMN O=C(O[C@@H]1CCC(=O)NC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000809029019 640888081 /nfs/dbraw/zinc/88/80/81/640888081.db2.gz XFLDYGAEPOXGQY-ZCFIWIBFSA-N 0 1 253.214 0.358 20 5 CCBDMN CC(=O)Nc1ncccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840425141 641575149 /nfs/dbraw/zinc/57/51/49/641575149.db2.gz SXBONZYLEBMTKU-VXNVDRBHSA-N 0 1 264.241 0.644 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H](N2CCC2)C1 ZINC000826950376 641970014 /nfs/dbraw/zinc/97/00/14/641970014.db2.gz PTNBFTUDHUUNTQ-LLVKDONJSA-N 0 1 293.327 0.406 20 5 CCBDMN O=C(OC[C@H]1CN(C2CC2)C(=O)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000845174341 643286759 /nfs/dbraw/zinc/28/67/59/643286759.db2.gz DVUFYZKPBBMVQM-IWSPIJDZSA-N 0 1 270.241 0.178 20 5 CCBDMN Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000846119518 643380910 /nfs/dbraw/zinc/38/09/10/643380910.db2.gz GELXJDFGVHPIOA-SHYZEUOFSA-N 0 1 282.325 0.364 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000846609758 643430315 /nfs/dbraw/zinc/43/03/15/643430315.db2.gz SVGNZZLAGVRNQZ-OLQVQODUSA-N 0 1 272.211 0.963 20 5 CCBDMN O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC000848385249 643630530 /nfs/dbraw/zinc/63/05/30/643630530.db2.gz TURBANZRNNBKHK-PSASIEDQSA-N 0 1 288.263 0.617 20 5 CCBDMN O=C1OCCN1[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000852431590 643961493 /nfs/dbraw/zinc/96/14/93/643961493.db2.gz DHBFGISLADRXTC-SNVBAGLBSA-N 0 1 295.299 0.318 20 5 CCBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1nnc[nH]1 ZINC000853217126 644090958 /nfs/dbraw/zinc/09/09/58/644090958.db2.gz WLCUTOCBRWQKIF-LURJTMIESA-N 0 1 265.229 0.969 20 5 CCBDMN C[C@H](CO)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855460455 644321432 /nfs/dbraw/zinc/32/14/32/644321432.db2.gz DPNFUAJYTJVIAU-CHWFTXMASA-N 0 1 256.302 0.661 20 5 CCBDMN O=C(NCCO[C@H]1CC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000855606825 644336123 /nfs/dbraw/zinc/33/61/23/644336123.db2.gz QYJOBYSSYMZVDW-QYNIQEEDSA-N 0 1 250.201 0.192 20 5 CCBDMN Cn1ncc(C2CC2)c1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855791284 644362705 /nfs/dbraw/zinc/36/27/05/644362705.db2.gz QWRLWOQAVVGZOU-PSASIEDQSA-N 0 1 264.285 0.579 20 5 CCBDMN O=C(Nc1ccnc(OCCO)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000856285017 644406378 /nfs/dbraw/zinc/40/63/78/644406378.db2.gz VHLADKKORVVCBB-RKDXNWHRSA-N 0 1 267.241 0.056 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000857279790 644491395 /nfs/dbraw/zinc/49/13/95/644491395.db2.gz DFOBELRJNZYACV-MTVMDMGHSA-N 0 1 284.312 0.040 20 5 CCBDMN O=C(NC1CCC2(COC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000882771364 647443821 /nfs/dbraw/zinc/44/38/21/647443821.db2.gz ZRAXAMNJINUVPY-NXEZZACHSA-N 0 1 254.286 0.727 20 5 CCBDMN O=C1C[C@@]2(CCN(Cc3cccnc3[N+](=O)[O-])C2)CN1 ZINC000886179413 647914512 /nfs/dbraw/zinc/91/45/12/647914512.db2.gz VKTGOAMHFDWUBW-ZDUSSCGKSA-N 0 1 276.296 0.702 20 5 CCBDMN O=C(NC1(c2c(F)cccc2F)COC1)[C@@H]1CC1[N+](=O)[O-] ZINC000886632457 647993108 /nfs/dbraw/zinc/99/31/08/647993108.db2.gz TVBGVCNXCVHQRD-GMSGAONNSA-N 0 1 298.245 0.972 20 5 CCBDMN O=C(NC1([C@@H]2CCCCO2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000887087467 648068213 /nfs/dbraw/zinc/06/82/13/648068213.db2.gz RMPRMKSSDUEFCR-BBBLOLIVSA-N 0 1 254.286 0.870 20 5 CCBDMN O=C(N1C[C@H]2CCN(CC[N+](=O)[O-])C[C@H]2C1)C(F)(F)F ZINC000930638799 648884910 /nfs/dbraw/zinc/88/49/10/648884910.db2.gz FGRBCEKBKAFKRX-BDAKNGLRSA-N 0 1 295.261 0.606 20 5 CCBDMN C[C@H](NC(=O)[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001122169495 799160386 /nfs/dbraw/zinc/16/03/86/799160386.db2.gz LTTXRBWHUZMBQH-JOYOIKCWSA-N 0 1 279.296 0.760 20 5 CCBDMN COC(=O)[C@@H]1C[C@@H]2C[C@H](OC(=O)[C@@H]3CC3[N+](=O)[O-])[C@@H]2C1 ZINC001123370000 799398677 /nfs/dbraw/zinc/39/86/77/799398677.db2.gz XARDVCCHRUUNSC-SYWHDRQISA-N 0 1 283.280 0.783 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1ncc([N+](=O)[O-])cc1N ZINC001156830418 801245692 /nfs/dbraw/zinc/24/56/92/801245692.db2.gz IHDBOIHMZUFHJI-UHFFFAOYSA-N 0 1 275.272 0.004 20 5 CCBDMN CC(C)Oc1nc(-n2nnnc2CN)ccc1[N+](=O)[O-] ZINC001158080537 801566356 /nfs/dbraw/zinc/56/63/56/801566356.db2.gz RPFVUOBQLACVDB-UHFFFAOYSA-N 0 1 279.260 0.211 20 5 CCBDMN Cc1cnc(CN)n1-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001158163304 801580402 /nfs/dbraw/zinc/58/04/02/801580402.db2.gz QPZJNKHCYHHDOE-UHFFFAOYSA-N 0 1 268.664 0.991 20 5 CCBDMN COC(=O)c1ccnc(N2CCN3CC[C@H]3C2)c1[N+](=O)[O-] ZINC001158435254 801649469 /nfs/dbraw/zinc/64/94/69/801649469.db2.gz WYSAWIXHIRSLLD-VIFPVBQESA-N 0 1 292.295 0.671 20 5 CCBDMN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NC[C@@H]1COCCN1 ZINC001159043449 801748198 /nfs/dbraw/zinc/74/81/98/801748198.db2.gz CTFYOUZFYXCJNQ-SSDOTTSWSA-N 0 1 288.691 0.282 20 5 CCBDMN Cc1nnc(CN)n1-c1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001163345752 802540158 /nfs/dbraw/zinc/54/01/58/802540158.db2.gz DKLJQXCFWUZMON-UHFFFAOYSA-N 0 1 283.679 0.694 20 5 CCBDMN COC(=O)c1ccnc(-n2c(C)nnc2CN)c1[N+](=O)[O-] ZINC001163348643 802542470 /nfs/dbraw/zinc/54/24/70/802542470.db2.gz LIBMNQGITFDYKL-UHFFFAOYSA-N 0 1 292.255 0.124 20 5 CCBDMN COC(=O)[C@@H]1CNCCN1c1ncc(C)cc1[N+](=O)[O-] ZINC001165436957 802840973 /nfs/dbraw/zinc/84/09/73/802840973.db2.gz NMWMMGSCQMSEBC-JTQLQIEISA-N 0 1 280.284 0.249 20 5 CCBDMN Nc1cc(N2CC[C@@H](N)C(F)(F)C2)ncc1[N+](=O)[O-] ZINC001166959299 802995505 /nfs/dbraw/zinc/99/55/05/802995505.db2.gz VURDFQFSIBCFDR-MRVPVSSYSA-N 0 1 273.243 0.745 20 5 CCBDMN CSc1nc(O[C@@H]2COC[C@H]2F)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624933 805373851 /nfs/dbraw/zinc/37/38/51/805373851.db2.gz JXXQGWUHJMIVAX-RFZPGFLSSA-N 0 1 291.260 0.928 20 5 CCBDMN C[C@H](O)C(=O)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227744750 805386064 /nfs/dbraw/zinc/38/60/64/805386064.db2.gz IRXWIEKDFLTCCE-YFKPBYRVSA-N 0 1 251.198 0.757 20 5 CCBDMN O=c1[nH]c(C2CC2)nc(OC[C@H]2COCO2)c1[N+](=O)[O-] ZINC001228602482 805458352 /nfs/dbraw/zinc/45/83/52/805458352.db2.gz CFBVROWEHOFQPB-SSDOTTSWSA-N 0 1 283.240 0.720 20 5 CCBDMN CC[C@@H](O)C(=O)Oc1cc(O)c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228810269 805481423 /nfs/dbraw/zinc/48/14/23/805481423.db2.gz IWQUERQKINIXME-MRVPVSSYSA-N 0 1 299.235 0.763 20 5 CCBDMN Cc1nc(OC[C@H]2COCCO2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375465 805527367 /nfs/dbraw/zinc/52/73/67/805527367.db2.gz FCBYYTKXQGDBQC-SSDOTTSWSA-N 0 1 271.229 0.193 20 5 CCBDMN Cc1nc(O[C@@H]2CCCOC2=O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229383379 805529384 /nfs/dbraw/zinc/52/93/84/805529384.db2.gz ZWWQARVYVMRMFF-ZCFIWIBFSA-N 0 1 269.213 0.483 20 5 CCBDMN O=C(NCCNCc1ncc(C2CC2)o1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932454 815309812 /nfs/dbraw/zinc/30/98/12/815309812.db2.gz YRJSWLXZYSEVJN-NXEZZACHSA-N 0 1 294.311 0.423 20 5 CCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cncs1 ZINC001268237267 812400362 /nfs/dbraw/zinc/40/03/62/812400362.db2.gz FVSHMQRBHCRCAM-GHMZBOCLSA-N 0 1 298.368 0.699 20 5 CCBDMN CCC1(NC(C)=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368158 814446527 /nfs/dbraw/zinc/44/65/27/814446527.db2.gz MJNJLKIISXLOGD-GHMZBOCLSA-N 0 1 283.328 0.559 20 5 CCBDMN O=C(NC1CN(C/C=C\Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030294686 815963677 /nfs/dbraw/zinc/96/36/77/815963677.db2.gz QQNMKKQAKKMOQE-WDESOFOKSA-N 0 1 259.693 0.205 20 5 CCBDMN C[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2nccn21 ZINC001272652254 816938647 /nfs/dbraw/zinc/93/86/47/816938647.db2.gz VRADSYGRJFGTEE-JQCXWYLXSA-N 0 1 250.258 0.670 20 5 CCBDMN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000701856097 819025670 /nfs/dbraw/zinc/02/56/70/819025670.db2.gz NDWNGFZWGNGPSX-ZETCQYMHSA-N 0 1 291.304 0.620 20 5 CCBDMN CC(C)CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062418804 819941655 /nfs/dbraw/zinc/94/16/55/819941655.db2.gz YYMXXLLMOOSVNZ-GHMZBOCLSA-N 0 1 297.355 0.853 20 5 CCBDMN CC(C)=CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062448662 819954690 /nfs/dbraw/zinc/95/46/90/819954690.db2.gz LENMIMPWQQXJCS-GHMZBOCLSA-N 0 1 295.339 0.773 20 5 CCBDMN CC(=O)NC[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001086007912 822067857 /nfs/dbraw/zinc/06/78/57/822067857.db2.gz UNZSGRYEMBSDJV-AOOOYVTPSA-N 0 1 281.316 0.333 20 5 CCBDMN NCc1nccnc1N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987501 836101476 /nfs/dbraw/zinc/10/14/76/836101476.db2.gz JDKGJLNXXQFWMD-IUCAKERBSA-N 0 1 251.290 0.793 20 5 CCBDMN CCOC(=O)c1noc(CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168988928 836102573 /nfs/dbraw/zinc/10/25/73/836102573.db2.gz VBPHYOSSEFJMOL-IUCAKERBSA-N 0 1 298.299 0.781 20 5 CCBDMN COC[C@@H]1COCCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169043820 836113921 /nfs/dbraw/zinc/11/39/21/836113921.db2.gz HXZDSXNUIRKMQB-IJLUTSLNSA-N 0 1 258.318 0.779 20 5 CCBDMN CC1(C)C(=O)NCCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169022472 836115334 /nfs/dbraw/zinc/11/53/34/836115334.db2.gz BYOPBFDQJUOVDY-UWVGGRQHSA-N 0 1 255.318 0.642 20 5 CCBDMN COc1ccc(NC[C@@H]2COCCN2)nc1[N+](=O)[O-] ZINC001170036440 836757113 /nfs/dbraw/zinc/75/71/13/836757113.db2.gz ZIVXDXZPPJLUBC-MRVPVSSYSA-N 0 1 268.273 0.399 20 5 CCBDMN O=C1NCc2c1c([N+](=O)[O-])ccc2NC[C@@H]1COCCN1 ZINC001170046625 836790040 /nfs/dbraw/zinc/79/00/40/836790040.db2.gz FJUYCJFEOVFFSZ-MRVPVSSYSA-N 0 1 292.295 0.239 20 5 CCBDMN COc1ccc(C[C@@H](C)N2CC(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170353469 837308110 /nfs/dbraw/zinc/30/81/10/837308110.db2.gz YMDBSFJNIXBEOW-SECBINFHSA-N 0 1 293.323 0.952 20 5 CCBDMN Cn1cncc1C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001135203417 839178835 /nfs/dbraw/zinc/17/88/35/839178835.db2.gz QMYQRPLSYACAMN-GHMZBOCLSA-N 0 1 278.312 0.791 20 5 CCBDMN CN1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001135305928 839203153 /nfs/dbraw/zinc/20/31/53/839203153.db2.gz CNSWMLXGVJRTCV-UHFFFAOYSA-N 0 1 253.262 0.096 20 5 CCBDMN CC[C@@](N)(CO)Nc1cc([N+](=O)[O-])cnc1C(=O)OC ZINC001170864956 839459931 /nfs/dbraw/zinc/45/99/31/839459931.db2.gz AXNDXIFCDUMGDR-NSHDSACASA-N 0 1 284.272 0.246 20 5 CCBDMN O=[N+]([O-])c1cccc(CNCc2n[nH]c(CO)n2)c1 ZINC001179842179 843061857 /nfs/dbraw/zinc/06/18/57/843061857.db2.gz DXPZLIBXHWWLEX-UHFFFAOYSA-N 0 1 263.257 0.495 20 5 CCBDMN CC(C)(O)[C@H](O)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196909851 846818555 /nfs/dbraw/zinc/81/85/55/846818555.db2.gz WRPWWUPMOMKJOH-TZMCWYRMSA-N 0 1 298.339 0.524 20 5 CCBDMN O=C(O[C@H]1CCN(C2CCC2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869538936 848067603 /nfs/dbraw/zinc/06/76/03/848067603.db2.gz SNDCKZUDMJEKNK-BBBLOLIVSA-N 0 1 268.269 0.348 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2ccccn2)C1 ZINC001042705635 850740464 /nfs/dbraw/zinc/74/04/64/850740464.db2.gz VPRUJJJBQNKYDB-CHWSQXEVSA-N 0 1 290.323 0.389 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2ccccc2)C1 ZINC001042705654 850741469 /nfs/dbraw/zinc/74/14/69/850741469.db2.gz WLCCKTSIWNRLGI-ZIAGYGMSSA-N 0 1 289.335 0.994 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC(CC(N)=O)CC2)c1[N+](=O)[O-] ZINC001115917664 855703591 /nfs/dbraw/zinc/70/35/91/855703591.db2.gz ZIRIGESQBPYUKL-UHFFFAOYSA-N 0 1 295.299 0.354 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCC2)C1 ZINC001119659761 856823366 /nfs/dbraw/zinc/82/33/66/856823366.db2.gz ZNXWVFJIEMCLLC-VIFPVBQESA-N 0 1 279.300 0.249 20 5 CCBDMN CC(C)(N)c1noc(Cn2cc([N+](=O)[O-])cc(F)c2=O)n1 ZINC001326052097 913721405 /nfs/dbraw/zinc/72/14/05/913721405.db2.gz MAJBBKAOYFHESH-UHFFFAOYSA-N 0 1 297.246 0.521 20 5 CCBDMN CN1CCC[C@@H]1Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001459100784 902243331 /nfs/dbraw/zinc/24/33/31/902243331.db2.gz RXNMOTFWOUNKJR-SSDOTTSWSA-N 0 1 255.234 0.794 20 5 CCBDMN NC(=O)C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC001460194006 902668208 /nfs/dbraw/zinc/66/82/08/902668208.db2.gz DYKOBUIOLOMIBE-VIFPVBQESA-N 0 1 264.285 0.687 20 5 CCBDMN O=C(CCCC1CC1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284935155 905494662 /nfs/dbraw/zinc/49/46/62/905494662.db2.gz ONGFIVSMDYCXEE-VXGBXAGGSA-N 0 1 295.339 0.559 20 5 CCBDMN CCc1ccc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001292718664 906331010 /nfs/dbraw/zinc/33/10/10/906331010.db2.gz QTYSDQOBZQNGOG-NXEZZACHSA-N 0 1 295.295 0.353 20 5 CCBDMN CCN1CCCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001293013817 906384519 /nfs/dbraw/zinc/38/45/19/906384519.db2.gz ISPSFBHVUURULD-UHFFFAOYSA-N 0 1 293.327 0.740 20 5 CCBDMN CC1(C)CC[C@@H](CO)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001337424976 921249423 /nfs/dbraw/zinc/24/94/23/921249423.db2.gz PVHPHFAMXVNMEY-IVZWLZJFSA-N 0 1 256.302 0.661 20 5 CCBDMN CC/C(C)=C\C(=O)N(CC)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296300654 906898514 /nfs/dbraw/zinc/89/85/14/906898514.db2.gz JOHBMBCIJPCTID-NRCZCXPTSA-N 0 1 297.355 0.973 20 5 CCBDMN CC(C)=CC(=O)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001296574070 906938375 /nfs/dbraw/zinc/93/83/75/906938375.db2.gz APYLPAHUWRKOBU-VXGBXAGGSA-N 0 1 295.339 0.725 20 5 CCBDMN O=C(NC1(CNC(=O)C2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001299106631 907389137 /nfs/dbraw/zinc/38/91/37/907389137.db2.gz LHKQNYDCHCEQQP-NXEZZACHSA-N 0 1 281.312 0.217 20 5 CCBDMN O=C(CCc1cnc[nH]1)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001303573180 908095906 /nfs/dbraw/zinc/09/59/06/908095906.db2.gz FXDFDSVQFRITGS-UHFFFAOYSA-N 0 1 250.218 0.612 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C3CCC2(CO)CC3)c1[N+](=O)[O-] ZINC001303922068 908127072 /nfs/dbraw/zinc/12/70/72/908127072.db2.gz ZIQHAOYLZMIYTL-UHFFFAOYSA-N 0 1 280.284 0.756 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCNC[C@H]1CO ZINC001340955326 908564063 /nfs/dbraw/zinc/56/40/63/908564063.db2.gz ZIKJJIXYJTUGJB-VIFPVBQESA-N 0 1 299.714 0.655 20 5 CCBDMN CCN1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)C[C@H]1C ZINC001338834287 921587400 /nfs/dbraw/zinc/58/74/00/921587400.db2.gz YCWFHNHJKMZGTI-NXEZZACHSA-N 0 1 282.348 0.683 20 5 CCBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H](c2nc[nH]n2)C1 ZINC001329832892 916211176 /nfs/dbraw/zinc/21/11/76/916211176.db2.gz XASBTXPIHCCAHS-LURJTMIESA-N 0 1 277.244 0.066 20 5 CCBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nnnn1C ZINC001347436457 924449044 /nfs/dbraw/zinc/44/90/44/924449044.db2.gz KZUZSQBNHWDUIS-ZCFIWIBFSA-N 0 1 292.255 0.315 20 5 CCBDMN O=C(NCc1cccc2nsnc21)[C@@H]1CC1[N+](=O)[O-] ZINC001350407183 925193734 /nfs/dbraw/zinc/19/37/34/925193734.db2.gz FZQVYGHKZLNGRD-VXNVDRBHSA-N 0 1 278.293 0.973 20 5 CCBDMN O=C(N[C@@H](C1CC1)C1(CO)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001300063913 925604473 /nfs/dbraw/zinc/60/44/73/925604473.db2.gz XDHMVKMSTWPMOZ-UTUOFQBUSA-N 0 1 298.339 0.336 20 5 CCBDMN Cc1noc(C[N@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001605449996 973536348 /nfs/dbraw/zinc/53/63/48/973536348.db2.gz WMQNYSDZKBDFCN-UFBFGSQYSA-N 0 1 297.267 0.424 20 5 CCBDMN CO[C@@]1(C(=O)[O-])CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001599077108 996897021 /nfs/dbraw/zinc/89/70/21/996897021.db2.gz DMNYHDGUXVSQFA-LBPRGKRZSA-N 0 1 298.299 0.275 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CN(C)CCN1C ZINC000091554596 349467612 /nfs/dbraw/zinc/46/76/12/349467612.db2.gz PFSMJRDIUAIDCB-NSHDSACASA-N 0 1 296.375 0.777 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@](F)(CO)C1 ZINC000338740711 214747455 /nfs/dbraw/zinc/74/74/55/214747455.db2.gz GHBSTQBWOPQFPO-GFCCVEGCSA-N 0 1 284.243 0.847 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000600536370 362006582 /nfs/dbraw/zinc/00/65/82/362006582.db2.gz SVHCMQLTVBRWFA-SNVBAGLBSA-N 0 1 295.295 0.097 20 5 CCBDMN O=C(NCCN1CC[C@@H](O)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000600535779 362006904 /nfs/dbraw/zinc/00/69/04/362006904.db2.gz SCORXDOMUFANQI-SNVBAGLBSA-N 0 1 297.286 0.530 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[N@H+]2CC[C@H]1C2 ZINC000600824067 362072093 /nfs/dbraw/zinc/07/20/93/362072093.db2.gz JQUFHASIKORPCZ-QMMMGPOBSA-N 0 1 278.268 0.226 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)c1c([N+](=O)[O-])ncn1C ZINC000425287947 530029781 /nfs/dbraw/zinc/02/97/81/530029781.db2.gz XDBNGJBBQNUUAD-UHFFFAOYSA-N 0 1 254.206 0.053 20 5 CCBDMN C[C@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CNCCO1 ZINC000602458001 362627343 /nfs/dbraw/zinc/62/73/43/362627343.db2.gz LFVPGTWFNPSQEW-CQSZACIVSA-N 0 1 293.323 0.632 20 5 CCBDMN CC(C)[C@H]1CNCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000602525427 362656521 /nfs/dbraw/zinc/65/65/21/362656521.db2.gz AQHFACZBTXYKHO-GFCCVEGCSA-N 0 1 295.343 0.638 20 5 CCBDMN CC(C)[C@@H]1CNCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000602525428 362657629 /nfs/dbraw/zinc/65/76/29/362657629.db2.gz AQHFACZBTXYKHO-LBPRGKRZSA-N 0 1 295.343 0.638 20 5 CCBDMN COc1ccc(CC(=O)N2CC(N(C)C)C2)cc1[N+](=O)[O-] ZINC000534283121 290807722 /nfs/dbraw/zinc/80/77/22/290807722.db2.gz NRDNDWPGVWLNBC-UHFFFAOYSA-N 0 1 293.323 0.918 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCN2CCOC[C@H]2C1 ZINC000602811027 362812697 /nfs/dbraw/zinc/81/26/97/362812697.db2.gz WGJYIQIXODCPJI-GFCCVEGCSA-N 0 1 295.343 0.116 20 5 CCBDMN C[C@@H]1[C@H](C)N(C)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602798125 362805911 /nfs/dbraw/zinc/80/59/11/362805911.db2.gz MUUITNMUNUIJDO-VHSXEESVSA-N 0 1 267.333 0.853 20 5 CCBDMN COC[C@H](N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000262486251 137045105 /nfs/dbraw/zinc/04/51/05/137045105.db2.gz HDXJKVRXVZAOOG-NSHDSACASA-N 0 1 281.312 0.920 20 5 CCBDMN COc1cccc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000343818452 137159591 /nfs/dbraw/zinc/15/95/91/137159591.db2.gz DERIGCGZHVNZIK-UHFFFAOYSA-N 0 1 291.267 0.694 20 5 CCBDMN O=C(NCc1ncccc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000120281207 349978464 /nfs/dbraw/zinc/97/84/64/349978464.db2.gz UXZRGTPFYFZLOY-UHFFFAOYSA-N 0 1 265.204 0.782 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000344976417 137225229 /nfs/dbraw/zinc/22/52/29/137225229.db2.gz KZRYIFLNVKVXGP-YFKPBYRVSA-N 0 1 250.218 0.532 20 5 CCBDMN COc1cc(CN[C@H](C)CC(N)=O)c([N+](=O)[O-])cc1O ZINC000345829628 137255085 /nfs/dbraw/zinc/25/50/85/137255085.db2.gz JRKSVYXPXUIXRX-SSDOTTSWSA-N 0 1 283.284 0.663 20 5 CCBDMN CN1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000602904132 362877255 /nfs/dbraw/zinc/87/72/55/362877255.db2.gz LVBZQEMMESNTFP-CYBMUJFWSA-N 0 1 295.339 0.582 20 5 CCBDMN C[C@]1(CO)C[C@H](O)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000602907916 362880724 /nfs/dbraw/zinc/88/07/24/362880724.db2.gz NQQWIDSDHVDMLB-QWHCGFSZSA-N 0 1 266.297 0.912 20 5 CCBDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000044620145 348323476 /nfs/dbraw/zinc/32/34/76/348323476.db2.gz CZWTVMANVCRADA-SNVBAGLBSA-N 0 1 295.295 0.989 20 5 CCBDMN C[C@]1(F)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000347366556 137332939 /nfs/dbraw/zinc/33/29/39/137332939.db2.gz ZREATUITJHOAFS-QWRGUYRKSA-N 0 1 272.280 0.586 20 5 CCBDMN CN1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000054936648 348566071 /nfs/dbraw/zinc/56/60/71/348566071.db2.gz UUZDXPZTKOYWAQ-JTQLQIEISA-N 0 1 292.295 0.354 20 5 CCBDMN CCN(CC(C)(C)O)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000081968058 349290085 /nfs/dbraw/zinc/29/00/85/349290085.db2.gz SXRWTQNDXNFSFZ-UHFFFAOYSA-N 0 1 270.289 0.859 20 5 CCBDMN CC1(C)CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000088139230 349357331 /nfs/dbraw/zinc/35/73/31/349357331.db2.gz OSFAUAJGXDGENU-UHFFFAOYSA-N 0 1 299.352 0.967 20 5 CCBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])NC1CCCCC1 ZINC000125887853 350132477 /nfs/dbraw/zinc/13/24/77/350132477.db2.gz OPQLPLAECVTIPC-UHFFFAOYSA-N 0 1 295.299 0.497 20 5 CCBDMN CC(C)(C)N(CCn1cc([N+](=O)[O-])cn1)CC(N)=O ZINC000131463961 350276302 /nfs/dbraw/zinc/27/63/02/350276302.db2.gz XIZGCWTXWBWZER-UHFFFAOYSA-N 0 1 269.305 0.377 20 5 CCBDMN NC(=O)C1(NCCOc2ccccc2[N+](=O)[O-])CC1 ZINC000152422089 350527899 /nfs/dbraw/zinc/52/78/99/350527899.db2.gz KAWAESCXEOQCBM-UHFFFAOYSA-N 0 1 265.269 0.581 20 5 CCBDMN COC(=O)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)C ZINC000153074578 350552515 /nfs/dbraw/zinc/55/25/15/350552515.db2.gz XUBDURJCIIXIBX-QMMMGPOBSA-N 0 1 284.272 0.635 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000171369312 350903995 /nfs/dbraw/zinc/90/39/95/350903995.db2.gz NNWGLZZLGRVKTN-ZETCQYMHSA-N 0 1 268.273 0.741 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CCCOC)c1[N+](=O)[O-] ZINC000171665717 350926379 /nfs/dbraw/zinc/92/63/79/350926379.db2.gz OTDSDQUMNKYBCY-UHFFFAOYSA-N 0 1 270.289 0.989 20 5 CCBDMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000170873782 350870455 /nfs/dbraw/zinc/87/04/55/350870455.db2.gz SGDNOZOTMRYEOL-NSHDSACASA-N 0 1 299.352 0.919 20 5 CCBDMN C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000174564244 351091966 /nfs/dbraw/zinc/09/19/66/351091966.db2.gz PRVGPVJTDGXCAS-MRVPVSSYSA-N 0 1 291.267 0.969 20 5 CCBDMN CC(C)CN(CCn1ccc([N+](=O)[O-])n1)CC(N)=O ZINC000176204606 351160486 /nfs/dbraw/zinc/16/04/86/351160486.db2.gz NUEWOKNJJJEHPE-UHFFFAOYSA-N 0 1 269.305 0.235 20 5 CCBDMN CC[N@H+]1CCC[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000179645433 351274635 /nfs/dbraw/zinc/27/46/35/351274635.db2.gz LKLJCJZYWQOGBF-VIFPVBQESA-N 0 1 281.316 0.542 20 5 CCBDMN CCN1CCC[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000179645433 351274638 /nfs/dbraw/zinc/27/46/38/351274638.db2.gz LKLJCJZYWQOGBF-VIFPVBQESA-N 0 1 281.316 0.542 20 5 CCBDMN C[NH+](C)[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187068304 351527851 /nfs/dbraw/zinc/52/78/51/351527851.db2.gz CQLDSZNAODDCSC-SNVBAGLBSA-N 0 1 294.311 0.862 20 5 CCBDMN O=C(N[C@H]1CCC[C@@H]1CCO)c1n[nH]cc1[N+](=O)[O-] ZINC000187914119 351562995 /nfs/dbraw/zinc/56/29/95/351562995.db2.gz OZDBRCXNKNFKAM-SFYZADRCSA-N 0 1 268.273 0.599 20 5 CCBDMN CN(CCO)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000192675675 351793830 /nfs/dbraw/zinc/79/38/30/351793830.db2.gz QPHDBDRLPKQOKL-UHFFFAOYSA-N 0 1 264.241 0.535 20 5 CCBDMN CC[N@@H+]1CC[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193443892 351828807 /nfs/dbraw/zinc/82/88/07/351828807.db2.gz UHIABKVTFZQOIW-VIFPVBQESA-N 0 1 294.311 0.767 20 5 CCBDMN CC[N@H+]1CC[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193443892 351828811 /nfs/dbraw/zinc/82/88/11/351828811.db2.gz UHIABKVTFZQOIW-VIFPVBQESA-N 0 1 294.311 0.767 20 5 CCBDMN Nc1c(C(=O)NCc2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000122819601 187053906 /nfs/dbraw/zinc/05/39/06/187053906.db2.gz FPDIOSODKSYBKL-UHFFFAOYSA-N 0 1 262.229 0.225 20 5 CCBDMN CCc1nnc(NC(=O)CCn2cc([N+](=O)[O-])cn2)[nH]1 ZINC000123014452 187066239 /nfs/dbraw/zinc/06/62/39/187066239.db2.gz SWVUZZICJQCAJO-UHFFFAOYSA-N 0 1 279.260 0.501 20 5 CCBDMN CCc1n[nH]c(NC(=O)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000123014452 187066240 /nfs/dbraw/zinc/06/62/40/187066240.db2.gz SWVUZZICJQCAJO-UHFFFAOYSA-N 0 1 279.260 0.501 20 5 CCBDMN CC[NH2+]CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123482202 187094587 /nfs/dbraw/zinc/09/45/87/187094587.db2.gz HBSHCCUHYYULNF-UHFFFAOYSA-N 0 1 291.304 0.622 20 5 CCBDMN Nc1c(C(=O)NCc2nnc[nH]2)cc(F)cc1[N+](=O)[O-] ZINC000220808945 351975065 /nfs/dbraw/zinc/97/50/65/351975065.db2.gz BRKHPOKCLHREBE-UHFFFAOYSA-N 0 1 280.219 0.364 20 5 CCBDMN Cc1cc(C(=O)NC[C@@H]2COCCN2)ccc1[N+](=O)[O-] ZINC000235822458 352188745 /nfs/dbraw/zinc/18/87/45/352188745.db2.gz BDABFCMQPLAVKN-LLVKDONJSA-N 0 1 279.296 0.621 20 5 CCBDMN COC[C@](C)(O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000542806861 290959891 /nfs/dbraw/zinc/95/98/91/290959891.db2.gz XZUIZZYLSMWVGL-GFCCVEGCSA-N 0 1 284.268 0.428 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC000266916411 352732413 /nfs/dbraw/zinc/73/24/13/352732413.db2.gz NGWJSNFKBHCFGA-QMMMGPOBSA-N 0 1 295.299 0.354 20 5 CCBDMN CCC[C@H](NC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1nn[nH]n1 ZINC000268128623 352809958 /nfs/dbraw/zinc/80/99/58/352809958.db2.gz AZTLFMVXEYLNJG-LURJTMIESA-N 0 1 294.275 0.411 20 5 CCBDMN CCn1cc(S(=O)(=O)NCC(C)(F)F)c([N+](=O)[O-])n1 ZINC000555408072 290971796 /nfs/dbraw/zinc/97/17/96/290971796.db2.gz ZHDIRUOBQDYYFY-UHFFFAOYSA-N 0 1 298.271 0.745 20 5 CCBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000270940289 353006553 /nfs/dbraw/zinc/00/65/53/353006553.db2.gz YMGTVKARSWQOCI-MHTLYPKNSA-N 0 1 296.205 0.750 20 5 CCBDMN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCN1 ZINC000155085228 188181448 /nfs/dbraw/zinc/18/14/48/188181448.db2.gz TWKLCAOZHNPXMT-QMMMGPOBSA-N 0 1 264.285 0.611 20 5 CCBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000282279886 353410105 /nfs/dbraw/zinc/41/01/05/353410105.db2.gz VIGVSPDOSDLDRG-NSHDSACASA-N 0 1 293.279 0.651 20 5 CCBDMN Cc1c(CN2CCC(O)(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000283993930 353542588 /nfs/dbraw/zinc/54/25/88/353542588.db2.gz JLUUUSIIAQVXNM-UHFFFAOYSA-N 0 1 293.323 0.715 20 5 CCBDMN Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])n[nH]2)n[nH]1 ZINC000286814845 353612683 /nfs/dbraw/zinc/61/26/83/353612683.db2.gz SGVPAKPFNPWZQE-ZCFIWIBFSA-N 0 1 278.272 0.710 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CC(C)(C)CO)c1[N+](=O)[O-] ZINC000296424158 353946751 /nfs/dbraw/zinc/94/67/51/353946751.db2.gz XURLOWCOEOXUOR-UHFFFAOYSA-N 0 1 284.316 0.971 20 5 CCBDMN CN(CC(=O)NCCN1CCC1)c1ccccc1[N+](=O)[O-] ZINC000337293478 355296734 /nfs/dbraw/zinc/29/67/34/355296734.db2.gz GVPCFQNXHRVQOF-UHFFFAOYSA-N 0 1 292.339 0.853 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@H](n3ccnn3)C2)n1 ZINC000425502329 235301637 /nfs/dbraw/zinc/30/16/37/235301637.db2.gz PVLVNAZKKYIQCW-NSHDSACASA-N 0 1 291.315 0.720 20 5 CCBDMN C[C@@H]1[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345332486 355800450 /nfs/dbraw/zinc/80/04/50/355800450.db2.gz YHFYZECTGORGPY-SFYZADRCSA-N 0 1 267.289 0.530 20 5 CCBDMN C[C@@H]1[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCCN1C ZINC000345332486 355800462 /nfs/dbraw/zinc/80/04/62/355800462.db2.gz YHFYZECTGORGPY-SFYZADRCSA-N 0 1 267.289 0.530 20 5 CCBDMN CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@@H]1O ZINC000352805158 356084507 /nfs/dbraw/zinc/08/45/07/356084507.db2.gz RDQFNEZIGINXRB-NEPJUHHUSA-N 0 1 282.296 0.665 20 5 CCBDMN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1COC[C@@H]1O ZINC000352817173 356088423 /nfs/dbraw/zinc/08/84/23/356088423.db2.gz QBLLILKGXVSTTQ-STQMWFEESA-N 0 1 282.296 0.665 20 5 CCBDMN C[C@@H]1CCN(C)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352832791 356092321 /nfs/dbraw/zinc/09/23/21/356092321.db2.gz PXMXPIQVVUWNOP-MRVPVSSYSA-N 0 1 267.289 0.484 20 5 CCBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361191386 138024566 /nfs/dbraw/zinc/02/45/66/138024566.db2.gz RXOZVWFYOVPTAN-MRVPVSSYSA-N 0 1 268.273 0.877 20 5 CCBDMN COc1ccc(CC(=O)NCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000609044570 363471605 /nfs/dbraw/zinc/47/16/05/363471605.db2.gz LPALXFUDEWCZBV-UHFFFAOYSA-N 0 1 291.267 0.580 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCC3(CN(C)C3)C2)c1[N+](=O)[O-] ZINC000619565806 366283721 /nfs/dbraw/zinc/28/37/21/366283721.db2.gz BOBIDIYNLCHLFK-UHFFFAOYSA-N 0 1 279.300 0.404 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC3(CN(C)C3)C2)c1[N+](=O)[O-] ZINC000619565806 366283726 /nfs/dbraw/zinc/28/37/26/366283726.db2.gz BOBIDIYNLCHLFK-UHFFFAOYSA-N 0 1 279.300 0.404 20 5 CCBDMN O=C(NCCc1ccccc1[N+](=O)[O-])c1cnn[nH]1 ZINC000359522483 356837905 /nfs/dbraw/zinc/83/79/05/356837905.db2.gz XUBRCJNOEDFTIF-UHFFFAOYSA-N 0 1 261.241 0.685 20 5 CCBDMN C[C@@H]1COCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000366795941 357239717 /nfs/dbraw/zinc/23/97/17/357239717.db2.gz IDACEGQLZOMIQX-JTQLQIEISA-N 0 1 254.290 0.760 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[NH+]2CCC1CC2 ZINC000377208847 357551852 /nfs/dbraw/zinc/55/18/52/357551852.db2.gz OYRIPRKHLVHDOI-UHFFFAOYSA-N 0 1 292.295 0.616 20 5 CCBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H](C)N1CCO ZINC000450793560 236112645 /nfs/dbraw/zinc/11/26/45/236112645.db2.gz QDPJYOJPJOWSEA-PHIMTYICSA-N 0 1 280.328 0.881 20 5 CCBDMN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CCN1 ZINC000408213962 357974448 /nfs/dbraw/zinc/97/44/48/357974448.db2.gz FRLSYYPRXLICPW-UHFFFAOYSA-N 0 1 279.300 0.396 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408382276 358064882 /nfs/dbraw/zinc/06/48/82/358064882.db2.gz QJPPAUCOUOEMLP-IONNQARKSA-N 0 1 282.300 0.723 20 5 CCBDMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000573976884 359017507 /nfs/dbraw/zinc/01/75/07/359017507.db2.gz KWWFZXDKNCWKQU-FOGDFJRCSA-N 0 1 294.311 0.976 20 5 CCBDMN Cc1cc(C[C@@H](C)NC(=O)c2c[nH]nc2[N+](=O)[O-])n[nH]1 ZINC000580029437 359077549 /nfs/dbraw/zinc/07/75/49/359077549.db2.gz VDHYXDITGMHTLH-ZCFIWIBFSA-N 0 1 278.272 0.710 20 5 CCBDMN O=C([O-])C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000582311811 359133869 /nfs/dbraw/zinc/13/38/69/359133869.db2.gz YGCKKSUBTLHDCA-UHFFFAOYSA-N 0 1 268.273 0.730 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590422435 359458179 /nfs/dbraw/zinc/45/81/79/359458179.db2.gz NMYSSERJZXWAIV-GDNZZTSVSA-N 0 1 278.264 0.611 20 5 CCBDMN [NH3+]C1CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000592292613 359811934 /nfs/dbraw/zinc/81/19/34/359811934.db2.gz RFOZTGMZHSNMQD-UHFFFAOYSA-N 0 1 280.284 0.695 20 5 CCBDMN COCCN1CCC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000611204234 363680767 /nfs/dbraw/zinc/68/07/67/363680767.db2.gz GOJKZLDLSJWNPE-SECBINFHSA-N 0 1 297.315 0.159 20 5 CCBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1nn[nH]n1 ZINC000611280611 363701266 /nfs/dbraw/zinc/70/12/66/363701266.db2.gz FHINSXSBVWVVCD-UHFFFAOYSA-N 0 1 290.283 0.963 20 5 CCBDMN CCCC[C@](C)(CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592851472 359956563 /nfs/dbraw/zinc/95/65/63/359956563.db2.gz DEGLSVIEZVGZNC-LLVKDONJSA-N 0 1 270.289 0.989 20 5 CCBDMN CCc1[nH]nc(C(=O)N=c2ncn(C(C)C)[nH]2)c1[N+](=O)[O-] ZINC000593784300 360150845 /nfs/dbraw/zinc/15/08/45/360150845.db2.gz MHROBTKAAXRQFK-UHFFFAOYSA-N 0 1 293.287 0.727 20 5 CCBDMN CC(C)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594743953 360373670 /nfs/dbraw/zinc/37/36/70/360373670.db2.gz CHRUJOFNWFFKOR-UHFFFAOYSA-N 0 1 259.287 0.924 20 5 CCBDMN CC[C@H](CCO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756866 360376987 /nfs/dbraw/zinc/37/69/87/360376987.db2.gz CIDUKQFBIQMBGU-MRVPVSSYSA-N 0 1 289.313 0.429 20 5 CCBDMN CC[C@H](O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594764541 360378267 /nfs/dbraw/zinc/37/82/67/360378267.db2.gz OROJIYHFJAJQSW-QMMMGPOBSA-N 0 1 289.313 0.429 20 5 CCBDMN CCC(=O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594768020 360379436 /nfs/dbraw/zinc/37/94/36/360379436.db2.gz HCIPTUSJLVEZDX-UHFFFAOYSA-N 0 1 273.270 0.247 20 5 CCBDMN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1F ZINC000611502299 363726665 /nfs/dbraw/zinc/72/66/65/363726665.db2.gz RALYISWUEKHMOA-YUSALJHKSA-N 0 1 286.307 0.832 20 5 CCBDMN C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000596103240 360795346 /nfs/dbraw/zinc/79/53/46/360795346.db2.gz BACKWFYSIJEYQV-SNVBAGLBSA-N 0 1 295.343 0.743 20 5 CCBDMN C[C@@H]1CN(CCO)[C@@H](C)CN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596275145 360863900 /nfs/dbraw/zinc/86/39/00/360863900.db2.gz NOVVKPIDSNWAEF-VHSXEESVSA-N 0 1 295.343 0.463 20 5 CCBDMN C[C@@H]1CN(CCO)CCN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596266612 360859142 /nfs/dbraw/zinc/85/91/42/360859142.db2.gz VGQSJIAPGBKYGO-SECBINFHSA-N 0 1 281.316 0.075 20 5 CCBDMN CC(C)(C)C[C@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179361050 189188768 /nfs/dbraw/zinc/18/87/68/189188768.db2.gz OICARBADILPBBH-ZETCQYMHSA-N 0 1 270.289 0.845 20 5 CCBDMN Cc1n[nH]c(C(=O)N(C)Cc2c[nH]cn2)c1[N+](=O)[O-] ZINC000597865717 361273901 /nfs/dbraw/zinc/27/39/01/361273901.db2.gz VIDULTVHKCYWFW-UHFFFAOYSA-N 0 1 264.245 0.622 20 5 CCBDMN O=C(N[C@@H](CO)C1CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000597919074 361282275 /nfs/dbraw/zinc/28/22/75/361282275.db2.gz JZXQUNPVGONIEE-ZETCQYMHSA-N 0 1 254.246 0.209 20 5 CCBDMN CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCN(C)C1 ZINC000597945994 361288373 /nfs/dbraw/zinc/28/83/73/361288373.db2.gz MBCQTJWUGYMZLR-SECBINFHSA-N 0 1 281.316 0.495 20 5 CCBDMN CN(Cc1cn(C)nn1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598224855 361357523 /nfs/dbraw/zinc/35/75/23/361357523.db2.gz GOJMZHLCISAPIY-UHFFFAOYSA-N 0 1 291.267 0.701 20 5 CCBDMN C[C@H]1C[C@@H]1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599216205 361613088 /nfs/dbraw/zinc/61/30/88/361613088.db2.gz NGCLUTYSMTYDFW-NKWVEPMBSA-N 0 1 274.302 0.263 20 5 CCBDMN C[C@@H]1C[C@@H]1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599216207 361613301 /nfs/dbraw/zinc/61/33/01/361613301.db2.gz NGCLUTYSMTYDFW-RNFRBKRXSA-N 0 1 274.302 0.263 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC(C)(C)C2)n1 ZINC000599350380 361664068 /nfs/dbraw/zinc/66/40/68/361664068.db2.gz WQXIMHHLYZWXFY-UHFFFAOYSA-N 0 1 288.329 0.795 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CC[C@H](n3cncn3)C2)c1 ZINC000614419271 364599770 /nfs/dbraw/zinc/59/97/70/364599770.db2.gz DMZCAPPIDRVVRJ-JTQLQIEISA-N 0 1 277.288 0.330 20 5 CCBDMN C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)C(=O)[O-] ZINC000565107349 291345136 /nfs/dbraw/zinc/34/51/36/291345136.db2.gz VLBHAZCCQXTYNW-UHFFFAOYSA-N 0 1 256.262 0.586 20 5 CCBDMN CC[N@H+](CC(=O)[O-])C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566361482 291397417 /nfs/dbraw/zinc/39/74/17/291397417.db2.gz IAMNHVKNHNJRBZ-SNVBAGLBSA-N 0 1 298.295 0.741 20 5 CCBDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000357960151 284117904 /nfs/dbraw/zinc/11/79/04/284117904.db2.gz PPDHAPYBNZZOEM-SSDOTTSWSA-N 0 1 275.268 0.933 20 5 CCBDMN O=C1NCCC[C@@H]1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331387323 203790753 /nfs/dbraw/zinc/79/07/53/203790753.db2.gz LBHKORPILLBYDZ-NSHDSACASA-N 0 1 293.327 0.707 20 5 CCBDMN C[C@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000445007801 249027445 /nfs/dbraw/zinc/02/74/45/249027445.db2.gz ZXOKTUIJVAHQGY-WCBMZHEXSA-N 0 1 294.311 0.908 20 5 CCBDMN C[C@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000445007801 249027448 /nfs/dbraw/zinc/02/74/48/249027448.db2.gz ZXOKTUIJVAHQGY-WCBMZHEXSA-N 0 1 294.311 0.908 20 5 CCBDMN CN(C)CCn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000130536120 284787690 /nfs/dbraw/zinc/78/76/90/284787690.db2.gz NESGXIOLPFKJQM-UHFFFAOYSA-N 0 1 278.268 0.973 20 5 CCBDMN [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000574754698 335044754 /nfs/dbraw/zinc/04/47/54/335044754.db2.gz KHSXBSKTOIQYRO-HTQZYQBOSA-N 0 1 280.284 0.553 20 5 CCBDMN CC[N@H+](C)CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185648558 388811136 /nfs/dbraw/zinc/81/11/36/388811136.db2.gz KHNILKZWLBBDMG-UHFFFAOYSA-N 0 1 268.273 0.377 20 5 CCBDMN CC[N@@H+](C)CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185648558 388811138 /nfs/dbraw/zinc/81/11/38/388811138.db2.gz KHNILKZWLBBDMG-UHFFFAOYSA-N 0 1 268.273 0.377 20 5 CCBDMN CCN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301830949 389059572 /nfs/dbraw/zinc/05/95/72/389059572.db2.gz HXVUPVHPUKCEBK-UHFFFAOYSA-N 0 1 276.300 0.779 20 5 CCBDMN O=C(Nc1ccc2[nH]nnc2c1)c1n[nH]cc1[N+](=O)[O-] ZINC000133213348 389232897 /nfs/dbraw/zinc/23/28/97/389232897.db2.gz YRBLUKHIVNFRAB-UHFFFAOYSA-N 0 1 273.212 0.842 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCNC(=O)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000264579432 389337004 /nfs/dbraw/zinc/33/70/04/389337004.db2.gz UUAROLXHXMOYCD-SECBINFHSA-N 0 1 295.299 0.223 20 5 CCBDMN CO[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1(C)C ZINC000343891819 389275126 /nfs/dbraw/zinc/27/51/26/389275126.db2.gz YEMSFFAEKXGUAW-HTQZYQBOSA-N 0 1 268.273 0.861 20 5 CCBDMN CN(C)C1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000345306439 389301355 /nfs/dbraw/zinc/30/13/55/389301355.db2.gz SVEQIOGEWADZBW-UHFFFAOYSA-N 0 1 252.274 0.319 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N(C)CCO)c1[N+](=O)[O-] ZINC000270277347 389429310 /nfs/dbraw/zinc/42/93/10/389429310.db2.gz ROBTUPSWVOZTGP-UHFFFAOYSA-N 0 1 256.262 0.506 20 5 CCBDMN CCN(CC(N)=O)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000276641960 389522053 /nfs/dbraw/zinc/52/20/53/389522053.db2.gz QZOGNMDRABFDEI-UHFFFAOYSA-N 0 1 283.288 0.389 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1nnc[nH]1 ZINC000179220782 389646159 /nfs/dbraw/zinc/64/61/59/389646159.db2.gz KDWHLYDTQJKSGN-UHFFFAOYSA-N 0 1 278.272 0.007 20 5 CCBDMN O=C(NCCc1ccccc1O)c1n[nH]cc1[N+](=O)[O-] ZINC000179550458 260054757 /nfs/dbraw/zinc/05/47/57/260054757.db2.gz YMGKHJFEOFPFCV-UHFFFAOYSA-N 0 1 276.252 0.996 20 5 CCBDMN C[C@H]1[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000445155105 389922067 /nfs/dbraw/zinc/92/20/67/389922067.db2.gz BCGHCSBAAPZBEO-WPRPVWTQSA-N 0 1 294.311 0.908 20 5 CCBDMN C[C@H]1[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000445155105 389922068 /nfs/dbraw/zinc/92/20/68/389922068.db2.gz BCGHCSBAAPZBEO-WPRPVWTQSA-N 0 1 294.311 0.908 20 5 CCBDMN CCO[C@@H]1COC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000456817119 390019601 /nfs/dbraw/zinc/01/96/01/390019601.db2.gz ZBNBQIAZSNREHQ-VXGBXAGGSA-N 0 1 296.279 0.834 20 5 CCBDMN C[C@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000457182841 390033714 /nfs/dbraw/zinc/03/37/14/390033714.db2.gz KEMZEBNYIZTSJB-CYBMUJFWSA-N 0 1 293.279 0.699 20 5 CCBDMN O=C(NC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000580071974 390217169 /nfs/dbraw/zinc/21/71/69/390217169.db2.gz UPDROFSJRLJDDF-SSDOTTSWSA-N 0 1 266.257 0.177 20 5 CCBDMN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000497243836 390442963 /nfs/dbraw/zinc/44/29/63/390442963.db2.gz HCBKHTCYLJTQIA-IVZWLZJFSA-N 0 1 299.327 0.777 20 5 CCBDMN Cc1c(CC(=O)N2CCNCC2)cccc1[N+](=O)[O-] ZINC000237589896 131044841 /nfs/dbraw/zinc/04/48/41/131044841.db2.gz TYFMPNGMMOYKKQ-UHFFFAOYSA-N 0 1 263.297 0.878 20 5 CCBDMN CCCN1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000264019261 131380181 /nfs/dbraw/zinc/38/01/81/131380181.db2.gz ISDBJQNIYFRSDT-UHFFFAOYSA-N 0 1 281.316 0.794 20 5 CCBDMN COC(=O)[C@]1(C)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000268419556 132006223 /nfs/dbraw/zinc/00/62/23/132006223.db2.gz FIHFTMBYMVLIFV-GFCCVEGCSA-N 0 1 296.283 0.652 20 5 CCBDMN CC(C)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000269303696 132152486 /nfs/dbraw/zinc/15/24/86/132152486.db2.gz VTWHTCLZVTYPCD-UHFFFAOYSA-N 0 1 281.268 0.542 20 5 CCBDMN O=C(NCc1cnc[nH]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352487916 397464805 /nfs/dbraw/zinc/46/48/05/397464805.db2.gz KBAWULOWPGXCGQ-UHFFFAOYSA-N 0 1 290.235 0.977 20 5 CCBDMN C[C@@H]1[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000356851446 144038299 /nfs/dbraw/zinc/03/82/99/144038299.db2.gz MSXKWNSHZYZMCN-MNOVXSKESA-N 0 1 295.343 0.732 20 5 CCBDMN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])cnc2C)[nH]1 ZINC000171547454 335070130 /nfs/dbraw/zinc/07/01/30/335070130.db2.gz KQJSENJYALMUEZ-UHFFFAOYSA-N 0 1 262.229 0.977 20 5 CCBDMN Cc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])cnc2C)n1 ZINC000171547454 335070132 /nfs/dbraw/zinc/07/01/32/335070132.db2.gz KQJSENJYALMUEZ-UHFFFAOYSA-N 0 1 262.229 0.977 20 5 CCBDMN C[C@H](NCCNS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000020526281 171239290 /nfs/dbraw/zinc/23/92/90/171239290.db2.gz MWCAKWQEEFNRMC-VIFPVBQESA-N 0 1 287.341 0.795 20 5 CCBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCN(C)C ZINC000119933932 292587719 /nfs/dbraw/zinc/58/77/19/292587719.db2.gz ZVDQHKUFAUWIBH-UHFFFAOYSA-N 0 1 287.341 0.743 20 5 CCBDMN C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330466926 287619308 /nfs/dbraw/zinc/61/93/08/287619308.db2.gz XFKWCUXWCRUMPJ-PELKAZGASA-N 0 1 279.296 0.915 20 5 CCBDMN C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C(=O)[O-] ZINC000424265781 533689702 /nfs/dbraw/zinc/68/97/02/533689702.db2.gz IJRLGBRJBRRQSF-MWLCHTKSSA-N 0 1 282.300 0.976 20 5 CCBDMN CCOC(=O)c1ccnc(N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000271693955 276300653 /nfs/dbraw/zinc/30/06/53/276300653.db2.gz AIIIDCDSBYWSEF-UHFFFAOYSA-N 0 1 294.311 0.917 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](O)C2(C)C)c1[N+](=O)[O-] ZINC000408377649 281363056 /nfs/dbraw/zinc/36/30/56/281363056.db2.gz RKGWIMHTVJFBFW-MRVPVSSYSA-N 0 1 282.300 0.866 20 5 CCBDMN Cc1cnc(N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000583696015 329011111 /nfs/dbraw/zinc/01/11/11/329011111.db2.gz BKXQSUSFFFVSFR-JTQLQIEISA-N 0 1 294.311 0.751 20 5 CCBDMN CC[C@H]1CN(CC)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000456357304 529287094 /nfs/dbraw/zinc/28/70/94/529287094.db2.gz SBVHUVYNVYRLFF-JTQLQIEISA-N 0 1 296.331 0.129 20 5 CCBDMN COc1ccc(C(=O)Nc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000789926485 581164509 /nfs/dbraw/zinc/16/45/09/581164509.db2.gz AMHNMAIQYXEGHN-UHFFFAOYSA-N 0 1 263.213 0.974 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H]3C[C@@]3(CO)C2)c1[N+](=O)[O-] ZINC000783935519 581367709 /nfs/dbraw/zinc/36/77/09/581367709.db2.gz BDDGXSMBDICLRH-KRTXAFLBSA-N 0 1 280.284 0.335 20 5 CCBDMN CCN1C[C@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1=O ZINC000739224777 581524978 /nfs/dbraw/zinc/52/49/78/581524978.db2.gz ZORMVGDSIMHGNP-MRVPVSSYSA-N 0 1 281.268 0.948 20 5 CCBDMN CC(=O)NC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000754606429 581599553 /nfs/dbraw/zinc/59/95/53/581599553.db2.gz NEMZQEYPYUAMAM-LURJTMIESA-N 0 1 255.230 0.604 20 5 CCBDMN CC(=O)N1CC[C@@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000758566255 581756194 /nfs/dbraw/zinc/75/61/94/581756194.db2.gz SVAQLQLZFDIJRD-SECBINFHSA-N 0 1 281.268 0.948 20 5 CCBDMN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C ZINC000761070953 581885707 /nfs/dbraw/zinc/88/57/07/581885707.db2.gz BFJYIXFWBUXNDE-JTQLQIEISA-N 0 1 292.339 0.830 20 5 CCBDMN CCOC(=O)C[C@@H](C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713403 615202267 /nfs/dbraw/zinc/20/22/67/615202267.db2.gz AIVOECYCDCCQAB-IWSPIJDZSA-N 0 1 258.274 0.357 20 5 CCBDMN C[C@@H](C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)C(=O)[O-] ZINC000827443094 601376555 /nfs/dbraw/zinc/37/65/55/601376555.db2.gz ZCQLFVSPMJFPCU-QMMMGPOBSA-N 0 1 256.262 0.444 20 5 CCBDMN CC(C)[C@H](O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839721099 614254042 /nfs/dbraw/zinc/25/40/42/614254042.db2.gz NNHBQLADURSHBS-BBBLOLIVSA-N 0 1 256.302 0.565 20 5 CCBDMN COc1ccncc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839780208 617327393 /nfs/dbraw/zinc/32/73/93/617327393.db2.gz YTVCAQKECFRVJF-RKDXNWHRSA-N 0 1 251.242 0.372 20 5 CCBDMN CC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)(C)C1 ZINC000840410141 613411137 /nfs/dbraw/zinc/41/11/37/613411137.db2.gz FJBVLOPRBPVQFX-NXEZZACHSA-N 0 1 269.301 0.121 20 5 CCBDMN CC(C)(C)N1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000843615769 613927322 /nfs/dbraw/zinc/92/73/22/613927322.db2.gz LBPVULKENREGQT-IWSPIJDZSA-N 0 1 269.301 0.167 20 5 CCBDMN CC(C)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979738680 613938499 /nfs/dbraw/zinc/93/84/99/613938499.db2.gz MELOXRBZDXRGCI-GWOFURMSSA-N 0 1 283.328 0.319 20 5 CCBDMN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000874610200 614002184 /nfs/dbraw/zinc/00/21/84/614002184.db2.gz BWFUJHIXNXYUPA-ZYUZMQFOSA-N 0 1 284.312 0.888 20 5 CCBDMN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686936 614984834 /nfs/dbraw/zinc/98/48/34/614984834.db2.gz SIGRLHOSOAEEQD-OUAUKWLOSA-N 0 1 283.328 0.511 20 5 CCBDMN CCOC(=O)c1csc(CCNCC[N+](=O)[O-])n1 ZINC000905227067 615192332 /nfs/dbraw/zinc/19/23/32/615192332.db2.gz BDVWWQUEASNAHW-UHFFFAOYSA-N 0 1 273.314 0.729 20 5 CCBDMN CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000898551873 615281704 /nfs/dbraw/zinc/28/17/04/615281704.db2.gz FCRMUFHQCSPREF-JLIMGVALSA-N 0 1 288.275 0.401 20 5 CCBDMN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000839689848 615494208 /nfs/dbraw/zinc/49/42/08/615494208.db2.gz AAWGFNBKDYWCNG-KKOKHZNYSA-N 0 1 298.339 0.430 20 5 CCBDMN CC[C@H](C)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000843620713 615667513 /nfs/dbraw/zinc/66/75/13/615667513.db2.gz MNOLXAKKHQQYRU-QCLAVDOMSA-N 0 1 272.301 0.746 20 5 CCBDMN CCc1cccc(NC(=O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839610621 615683952 /nfs/dbraw/zinc/68/39/52/615683952.db2.gz ACOHFLHMFPFKBH-VXGBXAGGSA-N 0 1 291.307 0.969 20 5 CCBDMN CC[C@H](C)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000922801923 615687104 /nfs/dbraw/zinc/68/71/04/615687104.db2.gz FERWERRLBASDHP-JQCXWYLXSA-N 0 1 259.258 0.783 20 5 CCBDMN CCn1ncnc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000793379245 615738896 /nfs/dbraw/zinc/73/88/96/615738896.db2.gz RCAXEBDZEQBQIM-UHFFFAOYSA-N 0 1 265.229 0.891 20 5 CCBDMN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122201828 615792105 /nfs/dbraw/zinc/79/21/05/615792105.db2.gz ZXSBBIMCUGEBSR-ZETCQYMHSA-N 0 1 291.304 0.750 20 5 CCBDMN CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839683714 616007952 /nfs/dbraw/zinc/00/79/52/616007952.db2.gz PJDUKYWMPFNUAW-LNFKQOIKSA-N 0 1 283.328 0.415 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)OCCc2c[nH]nn2)n1 ZINC000755805607 616015202 /nfs/dbraw/zinc/01/52/02/616015202.db2.gz VEDWISCMHBXAPZ-UHFFFAOYSA-N 0 1 280.244 0.329 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)OCCc2cnn[nH]2)n1 ZINC000755805607 616015203 /nfs/dbraw/zinc/01/52/03/616015203.db2.gz VEDWISCMHBXAPZ-UHFFFAOYSA-N 0 1 280.244 0.329 20 5 CCBDMN CN(C[C@@]1(O)CCc2ccccc21)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000843949416 616148604 /nfs/dbraw/zinc/14/86/04/616148604.db2.gz PYVLIIZLKVKHHC-KYOSRNDESA-N 0 1 290.319 0.944 20 5 CCBDMN COC(=O)CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000927969203 616496635 /nfs/dbraw/zinc/49/66/35/616496635.db2.gz NPNVWHOSKMVSID-HTQZYQBOSA-N 0 1 258.274 0.357 20 5 CCBDMN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840433508 616518331 /nfs/dbraw/zinc/51/83/31/616518331.db2.gz KNVRVUPZKLLYBQ-DAWVFNFOSA-N 0 1 282.296 0.452 20 5 CCBDMN COC(=O)[C@H](C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000840436748 616579000 /nfs/dbraw/zinc/57/90/00/616579000.db2.gz OWCFYPVRLAWJJS-FXBDTBDDSA-N 0 1 270.285 0.594 20 5 CCBDMN COCCN(CC(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839652035 616989543 /nfs/dbraw/zinc/98/95/43/616989543.db2.gz YMUCGUVEBLDHHZ-RNFRBKRXSA-N 0 1 252.217 0.392 20 5 CCBDMN CON(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](C)C(=O)OC(C)(C)C ZINC000871246781 616996224 /nfs/dbraw/zinc/99/62/24/616996224.db2.gz OSZRCMXPDDNVKH-DJLDLDEBSA-N 0 1 288.300 0.772 20 5 CCBDMN C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CCN1CC(C)(C)O ZINC000893372999 625613751 /nfs/dbraw/zinc/61/37/51/625613751.db2.gz BEQYBYBFOKCQLY-SNVBAGLBSA-N 0 1 297.359 0.610 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCN1C ZINC000928566463 632005433 /nfs/dbraw/zinc/00/54/33/632005433.db2.gz QBLSFPPDLOLMQT-SNVBAGLBSA-N 0 1 281.316 0.310 20 5 CCBDMN Cc1ccoc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990244012 633493916 /nfs/dbraw/zinc/49/39/16/633493916.db2.gz FFZMQJUXLWFWDH-NXEZZACHSA-N 0 1 293.279 0.194 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](c2ncccn2)C1 ZINC000899520025 633836463 /nfs/dbraw/zinc/83/64/63/633836463.db2.gz XGDHBJHQTRIUPN-GMTAPVOTSA-N 0 1 276.296 0.848 20 5 CCBDMN O=C(CCCc1ccccc1)NCCNCC[N+](=O)[O-] ZINC000905292924 634833744 /nfs/dbraw/zinc/83/37/44/634833744.db2.gz ZHYSIGVCHMCDQI-UHFFFAOYSA-N 0 1 279.340 0.992 20 5 CCBDMN O=c1ccc(Br)cn1CCNCC[N+](=O)[O-] ZINC000905273428 634836040 /nfs/dbraw/zinc/83/60/40/634836040.db2.gz MZCUAWUJAMTNNG-UHFFFAOYSA-N 0 1 290.117 0.477 20 5 CCBDMN Cc1cocc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991289188 635853122 /nfs/dbraw/zinc/85/31/22/635853122.db2.gz WYHRPDGZXRCAOB-MWLCHTKSSA-N 0 1 293.279 0.194 20 5 CCBDMN CN1CC[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000227219685 637013646 /nfs/dbraw/zinc/01/36/46/637013646.db2.gz TVVNYBBLTZZQKR-NWDGAFQWSA-N 0 1 279.296 0.449 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)Cc1ccccc1 ZINC000839513460 640317030 /nfs/dbraw/zinc/31/70/30/640317030.db2.gz ZNNYHDWDCQPWKZ-VXGBXAGGSA-N 0 1 264.281 0.673 20 5 CCBDMN O=C(NC[C@@H](O)c1ccsc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839688890 640350602 /nfs/dbraw/zinc/35/06/02/640350602.db2.gz SLURWQAGKPVMRM-IWSPIJDZSA-N 0 1 256.283 0.563 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000839701620 640351574 /nfs/dbraw/zinc/35/15/74/640351574.db2.gz RVGYNUCBRJFRBD-CHWFTXMASA-N 0 1 270.285 0.058 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(C[C@H]1CCOC1)C1CC1 ZINC000839711512 640356038 /nfs/dbraw/zinc/35/60/38/640356038.db2.gz NKDOTJMCCJMZMZ-FBIMIBRVSA-N 0 1 254.286 0.679 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]2COCC[C@H]21 ZINC000839713452 640357129 /nfs/dbraw/zinc/35/71/29/640357129.db2.gz SYOYLTUKLIWBMP-LNFKQOIKSA-N 0 1 254.286 0.679 20 5 CCBDMN O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839725545 640358673 /nfs/dbraw/zinc/35/86/73/640358673.db2.gz SHHALZXBHLYWAZ-QJPTWQEYSA-N 0 1 264.281 0.371 20 5 CCBDMN Cc1nc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cn2n1 ZINC000839751044 640360446 /nfs/dbraw/zinc/36/04/46/640360446.db2.gz UYGKAFXYYLISPV-RKDXNWHRSA-N 0 1 261.241 0.641 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CCCO)Cc1ccccn1 ZINC000839746860 640361063 /nfs/dbraw/zinc/36/10/63/640361063.db2.gz BNECCKGLZNRSER-VXGBXAGGSA-N 0 1 279.296 0.458 20 5 CCBDMN O=C(NCc1ncn(-c2ccccc2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000839777832 640364298 /nfs/dbraw/zinc/36/42/98/640364298.db2.gz FEFPPXCJSZAWSX-GHMZBOCLSA-N 0 1 287.279 0.549 20 5 CCBDMN O=C(OCc1nnc2n1CCOC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000810814672 640950178 /nfs/dbraw/zinc/95/01/78/640950178.db2.gz WBVAQYYHTTYKSR-UHFFFAOYSA-N 0 1 293.239 0.402 20 5 CCBDMN NC(=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000840377263 641390930 /nfs/dbraw/zinc/39/09/30/641390930.db2.gz RYEPVDIMEWNDIB-OUAUKWLOSA-N 0 1 283.328 0.592 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOc2ncccc2C1 ZINC000840418703 641574131 /nfs/dbraw/zinc/57/41/31/641574131.db2.gz PJEBAXJKBJIMIN-NXEZZACHSA-N 0 1 263.253 0.468 20 5 CCBDMN NC(=O)[C@H](Cc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673534 642786233 /nfs/dbraw/zinc/78/62/33/642786233.db2.gz RRNACHHTAWCNMK-MXWKQRLJSA-N 0 1 278.264 0.291 20 5 CCBDMN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000845035336 643262298 /nfs/dbraw/zinc/26/22/98/643262298.db2.gz ANFUJGGBPPNSHK-CKYFFXLPSA-N 0 1 291.307 0.544 20 5 CCBDMN C[C@@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1nnc[nH]1 ZINC000853219325 644091412 /nfs/dbraw/zinc/09/14/12/644091412.db2.gz SWTIAQNHVFYWNM-ZCFIWIBFSA-N 0 1 266.217 0.214 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000855642219 644340707 /nfs/dbraw/zinc/34/07/07/644340707.db2.gz WFFVLRTUFUEAIZ-UHFFFAOYSA-N 0 1 257.334 0.842 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000857279792 644491730 /nfs/dbraw/zinc/49/17/30/644491730.db2.gz DFOBELRJNZYACV-VSSNEEPJSA-N 0 1 284.312 0.040 20 5 CCBDMN O=C(NC[C@@H](n1cccn1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000862406635 644998461 /nfs/dbraw/zinc/99/84/61/644998461.db2.gz PVAOBBGEJDYYLH-BWZBUEFSSA-N 0 1 292.217 0.768 20 5 CCBDMN C[C@H](CN1CCCC1=O)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000870749621 646021562 /nfs/dbraw/zinc/02/15/62/646021562.db2.gz XNEMVDHQROPHEX-IWSPIJDZSA-N 0 1 256.258 0.206 20 5 CCBDMN O=C(NC1(c2ccccc2)COC1)[C@@H]1CC1[N+](=O)[O-] ZINC000888563614 646124914 /nfs/dbraw/zinc/12/49/14/646124914.db2.gz WMOWSIXTSRCUQJ-GHMZBOCLSA-N 0 1 262.265 0.694 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(CC2CCOCC2)C1 ZINC000881918095 647353114 /nfs/dbraw/zinc/35/31/14/647353114.db2.gz CLCKTMBOXVAEDD-VXGBXAGGSA-N 0 1 268.313 0.927 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)COCCO2 ZINC000882777213 647444337 /nfs/dbraw/zinc/44/43/37/647444337.db2.gz YNJYHHLRWOXGQB-NXEZZACHSA-N 0 1 270.285 0.060 20 5 CCBDMN C[C@@]1(C2CCN(CC[N+](=O)[O-])CC2)COC(=O)N1 ZINC000932102018 649049739 /nfs/dbraw/zinc/04/97/39/649049739.db2.gz LVDMLDWJFTWOPV-NSHDSACASA-N 0 1 257.290 0.474 20 5 CCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cscn1 ZINC001266272888 790374070 /nfs/dbraw/zinc/37/40/70/790374070.db2.gz FZFYZKWUSITUOD-NXEZZACHSA-N 0 1 284.341 0.356 20 5 CCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(F)cn1 ZINC001266273461 790377282 /nfs/dbraw/zinc/37/72/82/790377282.db2.gz RYJRYOKCPBKXGH-VXGBXAGGSA-N 0 1 296.302 0.434 20 5 CCBDMN CCc1cnc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001267194113 791654636 /nfs/dbraw/zinc/65/46/36/791654636.db2.gz IXWMSRVDMJLJAK-GHMZBOCLSA-N 0 1 296.327 0.450 20 5 CCBDMN CN1CC(C(=O)NCc2ccc([N+](=O)[O-])cc2)=NC1=O ZINC001125249750 799670018 /nfs/dbraw/zinc/67/00/18/799670018.db2.gz NRGAXFFBYMDQOL-UHFFFAOYSA-N 0 1 276.252 0.964 20 5 CCBDMN Cc1nc(C(C)(C)NC(=O)c2n[nH]cc2[N+](=O)[O-])no1 ZINC001142795842 800159019 /nfs/dbraw/zinc/15/90/19/800159019.db2.gz OAXRDJGKFZQFJF-UHFFFAOYSA-N 0 1 280.244 0.674 20 5 CCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1CCN(C)C1 ZINC001156580730 801191320 /nfs/dbraw/zinc/19/13/20/801191320.db2.gz JSBYDNWAKWAKFG-VIFPVBQESA-N 0 1 252.274 0.653 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1ncc(F)cc1[N+](=O)[O-] ZINC001156825438 801242024 /nfs/dbraw/zinc/24/20/24/801242024.db2.gz OVNQZKMRGLISFK-UHFFFAOYSA-N 0 1 278.247 0.561 20 5 CCBDMN Cc1nc([C@H](C)NC(=O)Cn2c(C)ncc2[N+](=O)[O-])n[nH]1 ZINC001157044677 801290593 /nfs/dbraw/zinc/29/05/93/801290593.db2.gz CFJCBTPONOJPTL-LURJTMIESA-N 0 1 293.287 0.404 20 5 CCBDMN O=C(N[C@H]1c2ccccc2OC[C@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC001158945555 801726752 /nfs/dbraw/zinc/72/67/52/801726752.db2.gz AZRKTTSMYPLNIR-UORFTKCHSA-N 0 1 292.291 0.510 20 5 CCBDMN COc1nc(C)c([N+](=O)[O-])c(NC[C@H]2COCCN2)n1 ZINC001159042485 801746797 /nfs/dbraw/zinc/74/67/97/801746797.db2.gz GSTPLWJVTSFPFY-QMMMGPOBSA-N 0 1 283.288 0.102 20 5 CCBDMN O=[N+]([O-])c1cc(CO)c(NCCc2nc[nH]n2)cc1F ZINC001162781729 802415682 /nfs/dbraw/zinc/41/56/82/802415682.db2.gz WKMTVAUWLDWYPX-UHFFFAOYSA-N 0 1 281.247 0.999 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2cccc3ncc([N+](=O)[O-])n32)S1 ZINC001163675080 802591254 /nfs/dbraw/zinc/59/12/54/802591254.db2.gz WUUNSIMSOLWESZ-VIFPVBQESA-N 0 1 293.264 0.964 20 5 CCBDMN COCCCN1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001165096058 802780951 /nfs/dbraw/zinc/78/09/51/802780951.db2.gz BTECVWYZAGPTAG-UHFFFAOYSA-N 0 1 295.343 0.731 20 5 CCBDMN COC(=O)[C@@H]1CNCCN1c1ncc([N+](=O)[O-])cc1C ZINC001165435696 802839986 /nfs/dbraw/zinc/83/99/86/802839986.db2.gz DPFNKQMXFBSSSC-JTQLQIEISA-N 0 1 280.284 0.249 20 5 CCBDMN CN1CCN(CCCn2nc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001166241009 802896452 /nfs/dbraw/zinc/89/64/52/802896452.db2.gz ZJXMIUQLJTVECB-UHFFFAOYSA-N 0 1 298.303 0.337 20 5 CCBDMN O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000405235959 803870110 /nfs/dbraw/zinc/87/01/10/803870110.db2.gz SQOXUSFXNXEXMB-WDEREUQCSA-N 0 1 281.287 0.989 20 5 CCBDMN O=[N+]([O-])c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000405235959 803870118 /nfs/dbraw/zinc/87/01/18/803870118.db2.gz SQOXUSFXNXEXMB-WDEREUQCSA-N 0 1 281.287 0.989 20 5 CCBDMN Cc1nc(O[C@H]2CO[C@H]3OCC[C@@H]23)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229381537 805526227 /nfs/dbraw/zinc/52/62/27/805526227.db2.gz NPTFLYLJVSWBTL-OKTBNZSVSA-N 0 1 283.240 0.539 20 5 CCBDMN Cc1nc(OC2CN(C(C)C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375382 805527697 /nfs/dbraw/zinc/52/76/97/805527697.db2.gz BYESJMCMWPLUGU-UHFFFAOYSA-N 0 1 268.273 0.870 20 5 CCBDMN O=C1NC(=O)[C@H](N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)S1 ZINC001254571705 808261488 /nfs/dbraw/zinc/26/14/88/808261488.db2.gz APQWAQNGCRAOJD-GZMMTYOYSA-N 0 1 293.304 0.961 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC001261861850 809113031 /nfs/dbraw/zinc/11/30/31/809113031.db2.gz IOZMKZKJWBHLLG-MRVPVSSYSA-N 0 1 288.267 0.738 20 5 CCBDMN Cn1ccnc1C[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC001262235614 809254385 /nfs/dbraw/zinc/25/43/85/809254385.db2.gz JAPCBGXTSYTUFM-LLVKDONJSA-N 0 1 252.318 0.951 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001167676223 811235739 /nfs/dbraw/zinc/23/57/39/811235739.db2.gz UYBLNFYBGBLYJX-UHFFFAOYSA-N 0 1 299.294 0.903 20 5 CCBDMN CN(C/C=C\Cl)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001272013975 814717268 /nfs/dbraw/zinc/71/72/68/814717268.db2.gz TZSNPAZIHBZSBT-HWKXXFMVSA-N 0 1 275.736 0.794 20 5 CCBDMN O=C(NC1CN(C/C=C/Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030294685 815963735 /nfs/dbraw/zinc/96/37/35/815963735.db2.gz QQNMKKQAKKMOQE-NPIHWTNLSA-N 0 1 259.693 0.205 20 5 CCBDMN CN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC001168537254 817953139 /nfs/dbraw/zinc/95/31/39/817953139.db2.gz HQQHEZUCLNQRNP-LLVKDONJSA-N 0 1 295.295 0.049 20 5 CCBDMN [NH3+]Cc1ncn(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001168756663 819301514 /nfs/dbraw/zinc/30/15/14/819301514.db2.gz JECLVAVJZJAIFX-UHFFFAOYSA-N 0 1 263.213 0.332 20 5 CCBDMN O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC[P@@](=O)([O-])O)C1 ZINC001168969065 836090035 /nfs/dbraw/zinc/09/00/35/836090035.db2.gz BVEQVJVVMXJPSE-SFYZADRCSA-N 0 1 252.207 0.199 20 5 CCBDMN NCc1nccnc1N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987500 836101676 /nfs/dbraw/zinc/10/16/76/836101676.db2.gz JDKGJLNXXQFWMD-DTWKUNHWSA-N 0 1 251.290 0.793 20 5 CCBDMN Cc1cnc(CN)n1-c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001169029051 836105077 /nfs/dbraw/zinc/10/50/77/836105077.db2.gz SDVPZMVYFJOYPG-UHFFFAOYSA-N 0 1 263.257 0.246 20 5 CCBDMN CS(=O)(=O)[C@H]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037971 836112165 /nfs/dbraw/zinc/11/21/65/836112165.db2.gz UOHJAVVLEHROHY-DCAQKATOSA-N 0 1 276.358 0.551 20 5 CCBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3ncncn3)CC2)C1 ZINC001169046915 836117123 /nfs/dbraw/zinc/11/71/23/836117123.db2.gz OHIHYJQRNYPERB-RYUDHWBXSA-N 0 1 292.343 0.439 20 5 CCBDMN CC[C@](N)(CO)Nc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001170861797 839453255 /nfs/dbraw/zinc/45/32/55/839453255.db2.gz DRUQGWZXTHKJAD-LLVKDONJSA-N 0 1 265.273 0.940 20 5 CCBDMN CC[C@](N)(CO)Nc1cc([N+](=O)[O-])c2nccn2c1 ZINC001170863121 839457180 /nfs/dbraw/zinc/45/71/80/839457180.db2.gz APVHHLBXRNYHJT-LLVKDONJSA-N 0 1 265.273 0.712 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC001136134325 839548117 /nfs/dbraw/zinc/54/81/17/839548117.db2.gz MGTPWXPKQDQNLT-OPRDCNLKSA-N 0 1 293.327 0.847 20 5 CCBDMN O=C(NC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001117998155 856132628 /nfs/dbraw/zinc/13/26/28/856132628.db2.gz ZSBGYJGWCVZKOB-JMJZKYOTSA-N 0 1 281.312 0.169 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](O)C2(CC2)C1 ZINC001119308451 856626137 /nfs/dbraw/zinc/62/61/37/856626137.db2.gz NRDVDUXHXJTXCZ-SNVBAGLBSA-N 0 1 266.301 0.556 20 5 CCBDMN O=C([O-])C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001327361515 914495988 /nfs/dbraw/zinc/49/59/88/914495988.db2.gz YPEJEBCHHMLRSY-VIFPVBQESA-N 0 1 268.273 0.730 20 5 CCBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3nnc[nH]3)C2)nc1 ZINC001327870693 914824471 /nfs/dbraw/zinc/82/44/71/914824471.db2.gz NMLVSMCLZBBOSC-SECBINFHSA-N 0 1 289.299 0.794 20 5 CCBDMN CCC(C)(CC)C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284911654 905482578 /nfs/dbraw/zinc/48/25/78/905482578.db2.gz XSVJJUMTZBFHBK-GHMZBOCLSA-N 0 1 297.355 0.805 20 5 CCBDMN CC1(C)CC[C@H](CO)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001337424978 921248711 /nfs/dbraw/zinc/24/87/11/921248711.db2.gz PVHPHFAMXVNMEY-OPRDCNLKSA-N 0 1 256.302 0.661 20 5 CCBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1c[nH]nn1 ZINC001294475005 906595618 /nfs/dbraw/zinc/59/56/18/906595618.db2.gz CRMRHDCDAKKHFZ-UHFFFAOYSA-N 0 1 279.231 0.711 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C(F)F)CC1 ZINC001296805337 906965572 /nfs/dbraw/zinc/96/55/72/906965572.db2.gz OODPRSQNJHYJNQ-RNFRBKRXSA-N 0 1 264.228 0.270 20 5 CCBDMN O=C(N[C@H](CO)Cc1cnc[nH]1)c1csc([N+](=O)[O-])c1 ZINC001302758956 908041694 /nfs/dbraw/zinc/04/16/94/908041694.db2.gz CHOLDACVSYYIKM-VIFPVBQESA-N 0 1 296.308 0.713 20 5 CCBDMN Cc1nc(CNC(=O)CCn2cc([N+](=O)[O-])nc2C)n[nH]1 ZINC001304621314 908180029 /nfs/dbraw/zinc/18/00/29/908180029.db2.gz FGRZLPQSPZARLF-UHFFFAOYSA-N 0 1 293.287 0.233 20 5 CCBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC001306852695 908267029 /nfs/dbraw/zinc/26/70/29/908267029.db2.gz QVJZAQRPBWSJCW-CLZZGJSISA-N 0 1 278.215 0.452 20 5 CCBDMN CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306889773 908276457 /nfs/dbraw/zinc/27/64/57/908276457.db2.gz JZVMRJAKURVDCB-MRVPVSSYSA-N 0 1 280.284 0.519 20 5 CCBDMN CC[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306889773 908276469 /nfs/dbraw/zinc/27/64/69/908276469.db2.gz JZVMRJAKURVDCB-MRVPVSSYSA-N 0 1 280.284 0.519 20 5 CCBDMN COc1cc([N+](=O)[O-])cn(Cc2[nH]ncc2C)c1=O ZINC001307379898 908310305 /nfs/dbraw/zinc/31/03/05/908310305.db2.gz ZUEVEVOWLUXSBW-UHFFFAOYSA-N 0 1 264.241 0.845 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC001307850542 908359843 /nfs/dbraw/zinc/35/98/43/908359843.db2.gz SGOILDPYQDICRA-BXUZGUMPSA-N 0 1 296.323 0.649 20 5 CCBDMN CC(C)c1n[nH]c(NC(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC001319894781 910336211 /nfs/dbraw/zinc/33/62/11/910336211.db2.gz FJRCPPGRGKBTAR-UHFFFAOYSA-N 0 1 279.260 0.822 20 5 CCBDMN C[C@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CNCCO1 ZINC001330592529 916725811 /nfs/dbraw/zinc/72/58/11/916725811.db2.gz DIYQJBARAFTVGE-CQSZACIVSA-N 0 1 291.307 0.816 20 5 CCBDMN Cc1nnc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC001336434240 920772565 /nfs/dbraw/zinc/77/25/65/920772565.db2.gz PBTLUDOTMRFTDE-SCSAIBSYSA-N 0 1 266.217 0.500 20 5 CCBDMN COC[C@H]1CNCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC001345656417 923939694 /nfs/dbraw/zinc/93/96/94/923939694.db2.gz NBCRJHDRGWIFBW-SECBINFHSA-N 0 1 285.325 0.717 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](c2nc[nH]n2)C1 ZINC001351770936 925468458 /nfs/dbraw/zinc/46/84/58/925468458.db2.gz XUMVUMXZNWENSI-SSDOTTSWSA-N 0 1 263.261 0.440 20 5 CCBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(c2nc[nH]n2)CC1 ZINC001353717644 925914873 /nfs/dbraw/zinc/91/48/73/925914873.db2.gz WEEBNARQWKQSKP-UHFFFAOYSA-N 0 1 291.271 0.456 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CN2CCC1CC2 ZINC001353755150 925925328 /nfs/dbraw/zinc/92/53/28/925925328.db2.gz YILFBJBWZBVMLD-NSHDSACASA-N 0 1 278.312 0.757 20 5 CCBDMN O=C(NCC=CCO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001300568184 926070445 /nfs/dbraw/zinc/07/04/45/926070445.db2.gz YCAYSLGWACJMPH-UPHRSURJSA-N 0 1 276.252 0.749 20 5 CCBDMN CCN(CCNC(=O)C=C1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001356025793 926336158 /nfs/dbraw/zinc/33/61/58/926336158.db2.gz VFLUJARRUCEECU-VXGBXAGGSA-N 0 1 295.339 0.727 20 5 CCBDMN CCCC(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001357505096 926550500 /nfs/dbraw/zinc/55/05/00/926550500.db2.gz SKBQEVBBBFUTJA-HIHHVFROSA-N 0 1 269.301 0.240 20 5 CCBDMN COC[C@@]1(CO)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC001449735563 931183641 /nfs/dbraw/zinc/18/36/41/931183641.db2.gz DLSHNRKDDLTIMR-LBPRGKRZSA-N 0 1 298.299 0.097 20 5 CCBDMN CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001599079089 996954248 /nfs/dbraw/zinc/95/42/48/996954248.db2.gz NFJLZKPEZBOEDO-LBPRGKRZSA-N 0 1 281.268 0.665 20 5 CCBDMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001599079089 996954258 /nfs/dbraw/zinc/95/42/58/996954258.db2.gz NFJLZKPEZBOEDO-LBPRGKRZSA-N 0 1 281.268 0.665 20 5 CCBDMN COC[C@@](C)(CC(=O)[O-])[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC001599150451 998287396 /nfs/dbraw/zinc/28/73/96/998287396.db2.gz MLGJSCUAKRBVNK-LLVKDONJSA-N 0 1 287.272 0.861 20 5 CCBDMN O=C(NCCN1CC[C@H](O)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000599691243 361790208 /nfs/dbraw/zinc/79/02/08/361790208.db2.gz DHWLYKCRPYNUPC-LBPRGKRZSA-N 0 1 294.311 0.783 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN(C)C ZINC000124891629 187159862 /nfs/dbraw/zinc/15/98/62/187159862.db2.gz KVLJYRAYSNOKIA-UHFFFAOYSA-N 0 1 287.341 0.743 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000600534361 362004958 /nfs/dbraw/zinc/00/49/58/362004958.db2.gz PAAFMUSTLPUKGL-SECBINFHSA-N 0 1 295.295 0.097 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1[N+](=O)[O-] ZINC000600793934 362061078 /nfs/dbraw/zinc/06/10/78/362061078.db2.gz PYZHKKZSBUINDJ-JVUFJMBOSA-N 0 1 294.311 0.866 20 5 CCBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NCCN1CC[C@H](O)C1 ZINC000600809268 362066823 /nfs/dbraw/zinc/06/68/23/362066823.db2.gz XWWJMDMSNOQSPS-ZDUSSCGKSA-N 0 1 293.323 0.320 20 5 CCBDMN CNC(=O)[C@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602471771 362635446 /nfs/dbraw/zinc/63/54/46/362635446.db2.gz IEUJVAJPXPLYQT-VIFPVBQESA-N 0 1 281.316 0.286 20 5 CCBDMN COCCN1CCCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000295551863 199560414 /nfs/dbraw/zinc/56/04/14/199560414.db2.gz PMIRALDBQMPZQK-UHFFFAOYSA-N 0 1 295.343 0.852 20 5 CCBDMN C[C@H](O)[C@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602589133 362694645 /nfs/dbraw/zinc/69/46/45/362694645.db2.gz CUNHOXCISGKISG-UWVGGRQHSA-N 0 1 268.317 0.921 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](C)C[S@](C)=O ZINC000602808747 362810856 /nfs/dbraw/zinc/81/08/56/362810856.db2.gz ZFLHRVHATXFWQI-UGZDLDLSSA-N 0 1 288.373 0.799 20 5 CCBDMN CCO[C@H]1COCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602821011 362819122 /nfs/dbraw/zinc/81/91/22/362819122.db2.gz VTGSXNGKXLQSDQ-QWRGUYRKSA-N 0 1 284.316 0.612 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCN(CCO)C[C@@H]1C ZINC000602838590 362827699 /nfs/dbraw/zinc/82/76/99/362827699.db2.gz UWTLYUPFOQIJDX-NSHDSACASA-N 0 1 297.359 0.098 20 5 CCBDMN C[C@H](Cn1ccnc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343243579 137122340 /nfs/dbraw/zinc/12/23/40/137122340.db2.gz OQIUSSNDOQVFTL-SSDOTTSWSA-N 0 1 264.245 0.333 20 5 CCBDMN C[C@]1(CO)C[C@@H](O)CN1Cc1ccccc1[N+](=O)[O-] ZINC000602900298 362874040 /nfs/dbraw/zinc/87/40/40/362874040.db2.gz SVNYRDRPPIUCHX-DGCLKSJQSA-N 0 1 266.297 0.912 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2CCN(CCO)CC2)c1 ZINC000046055632 348347840 /nfs/dbraw/zinc/34/78/40/348347840.db2.gz ZIAQEPQYOGBHLN-UHFFFAOYSA-N 0 1 295.339 0.584 20 5 CCBDMN Cc1n[nH]cc1CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000602941187 362899483 /nfs/dbraw/zinc/89/94/83/362899483.db2.gz GWBIKLUCHNWGDV-UHFFFAOYSA-N 0 1 264.289 0.955 20 5 CCBDMN C[C@@](CO)(NC[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602962044 362910782 /nfs/dbraw/zinc/91/07/82/362910782.db2.gz FKBNXRKVIRQDFM-KBPBESRZSA-N 0 1 296.323 0.807 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCSC[C@H]2CCO)n1 ZINC000347392231 137334134 /nfs/dbraw/zinc/33/41/34/137334134.db2.gz RMVKKVFAMIPBDM-SNVBAGLBSA-N 0 1 286.357 0.591 20 5 CCBDMN C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@H](C)N1C ZINC000339616222 215271340 /nfs/dbraw/zinc/27/13/40/215271340.db2.gz ZDYCGLYHDWIXBQ-UWVGGRQHSA-N 0 1 267.333 0.853 20 5 CCBDMN C[C@H]1C[C@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000124099943 350089081 /nfs/dbraw/zinc/08/90/81/350089081.db2.gz FYRIOUWBMOACEX-WDEREUQCSA-N 0 1 295.343 0.732 20 5 CCBDMN CC[C@H](C)NC(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000137211137 350434804 /nfs/dbraw/zinc/43/48/04/350434804.db2.gz IQGUWOIMXTWLRR-ZETCQYMHSA-N 0 1 283.288 0.353 20 5 CCBDMN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(CO)CO ZINC000135889599 350410195 /nfs/dbraw/zinc/41/01/95/350410195.db2.gz PJLXZNRMFWEZLN-CYBMUJFWSA-N 0 1 298.339 0.551 20 5 CCBDMN NC(=O)c1cccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000159803141 350688156 /nfs/dbraw/zinc/68/81/56/350688156.db2.gz OQDAPSYGSBUGEY-UHFFFAOYSA-N 0 1 289.251 0.347 20 5 CCBDMN COC[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000159879292 350691601 /nfs/dbraw/zinc/69/16/01/350691601.db2.gz OBVGQPNZVNXMEO-SECBINFHSA-N 0 1 253.258 0.185 20 5 CCBDMN Cc1cc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000618374748 366007866 /nfs/dbraw/zinc/00/78/66/366007866.db2.gz FOGKNJUVULFVOS-UHFFFAOYSA-N 0 1 277.240 0.657 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)CCC(=O)NC)c1[N+](=O)[O-] ZINC000171808502 350935882 /nfs/dbraw/zinc/93/58/82/350935882.db2.gz RPXXKXNDFXTJNU-UHFFFAOYSA-N 0 1 297.315 0.479 20 5 CCBDMN CCOC(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000188372699 351590647 /nfs/dbraw/zinc/59/06/47/351590647.db2.gz PGMDOKIAPRMJCU-UHFFFAOYSA-N 0 1 256.262 0.863 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230686028 352117962 /nfs/dbraw/zinc/11/79/62/352117962.db2.gz JLMMEGUGHBMDJF-UHFFFAOYSA-N 0 1 276.256 0.534 20 5 CCBDMN Cn1ccc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000355114194 137611316 /nfs/dbraw/zinc/61/13/16/137611316.db2.gz CUJALODEPGMZOY-UHFFFAOYSA-N 0 1 264.245 0.024 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCSCC2)c1 ZINC000266426928 352701551 /nfs/dbraw/zinc/70/15/51/352701551.db2.gz KBYYSTIDOISEFA-SNVBAGLBSA-N 0 1 272.330 0.201 20 5 CCBDMN O=C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000269684591 352863233 /nfs/dbraw/zinc/86/32/33/352863233.db2.gz ZEOKULOKRQXQTN-LBPRGKRZSA-N 0 1 279.296 0.450 20 5 CCBDMN CN(C)C(=O)CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272532643 353072271 /nfs/dbraw/zinc/07/22/71/353072271.db2.gz IRNCGVOHPBTHEZ-UHFFFAOYSA-N 0 1 295.295 0.899 20 5 CCBDMN C[C@H]1C(=O)NCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272542610 353073227 /nfs/dbraw/zinc/07/32/27/353073227.db2.gz OCPASHASKXMPHH-ZETCQYMHSA-N 0 1 279.252 0.261 20 5 CCBDMN COC[C@@H](CCO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272635676 353081609 /nfs/dbraw/zinc/08/16/09/353081609.db2.gz CLELMNPYASFUEF-SECBINFHSA-N 0 1 284.268 0.428 20 5 CCBDMN CCCCOC(=O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000153339719 188077450 /nfs/dbraw/zinc/07/74/50/188077450.db2.gz IMTMFSZWOCLSQJ-UHFFFAOYSA-N 0 1 270.245 0.391 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](O)C[C@H]2CO)c1[N+](=O)[O-] ZINC000274816080 353164506 /nfs/dbraw/zinc/16/45/06/353164506.db2.gz OILZDQCOZPYJQJ-YUMQZZPRSA-N 0 1 298.299 0.009 20 5 CCBDMN CN(C)CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277538384 353249489 /nfs/dbraw/zinc/24/94/89/353249489.db2.gz BBHPEJXLZGUAIF-UHFFFAOYSA-N 0 1 277.284 0.649 20 5 CCBDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000155493782 188209854 /nfs/dbraw/zinc/20/98/54/188209854.db2.gz CFADEZKTFCVVMB-AOOOYVTPSA-N 0 1 281.316 0.342 20 5 CCBDMN CCN1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000286340991 353579570 /nfs/dbraw/zinc/57/95/70/353579570.db2.gz LZANZMKDFONMME-VIFPVBQESA-N 0 1 251.290 0.915 20 5 CCBDMN CN1CC[N@@H+](C)C[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000287300338 353636948 /nfs/dbraw/zinc/63/69/48/353636948.db2.gz LJQIFTDWRWMVCG-NSHDSACASA-N 0 1 279.344 0.835 20 5 CCBDMN CC[C@H](CO)N1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000297034760 353959649 /nfs/dbraw/zinc/95/96/49/353959649.db2.gz HOKRNRGHUKAEGL-LLVKDONJSA-N 0 1 295.343 0.586 20 5 CCBDMN C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000330458391 354366625 /nfs/dbraw/zinc/36/66/25/354366625.db2.gz PGLVKIBUGQXCFU-JOYOIKCWSA-N 0 1 282.296 0.882 20 5 CCBDMN CO[C@H]1C[C@@H](CN(C)C(=O)c2n[nH]cc2[N+](=O)[O-])N(C)C1 ZINC000330555518 354410288 /nfs/dbraw/zinc/41/02/88/354410288.db2.gz HAUPPXMGLMWDQO-IUCAKERBSA-N 0 1 297.315 0.109 20 5 CCBDMN O=C(NCCc1nc[nH]n1)c1ccc([N+](=O)[O-])cn1 ZINC000531888641 358487476 /nfs/dbraw/zinc/48/74/76/358487476.db2.gz RGBHJDXAFYKTQJ-UHFFFAOYSA-N 0 1 262.229 0.080 20 5 CCBDMN C[C@H](CO[C@H]1CCOC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000332361599 354654123 /nfs/dbraw/zinc/65/41/23/354654123.db2.gz XXCLOWZNPMOCAY-SFYZADRCSA-N 0 1 284.272 0.242 20 5 CCBDMN CCC(CC)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC000338302755 355314644 /nfs/dbraw/zinc/31/46/44/355314644.db2.gz TZKPCUSMNVGXGR-UHFFFAOYSA-N 0 1 284.272 0.780 20 5 CCBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCN(C)C1=O ZINC000338999773 355468684 /nfs/dbraw/zinc/46/86/84/355468684.db2.gz HXCDBDBBNDHZMH-GFCCVEGCSA-N 0 1 279.296 0.963 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCC(O)(C(F)F)CC2)n1 ZINC000426247166 235330777 /nfs/dbraw/zinc/33/07/77/235330777.db2.gz ZHKSZOMJSIZPTA-UHFFFAOYSA-N 0 1 290.270 0.883 20 5 CCBDMN O=C(NC1(c2nn[nH]n2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000348278216 355901682 /nfs/dbraw/zinc/90/16/82/355901682.db2.gz UVZQTJBHKYFDJP-UHFFFAOYSA-N 0 1 264.201 0.120 20 5 CCBDMN COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352591088 356024459 /nfs/dbraw/zinc/02/44/59/356024459.db2.gz SARSLMCCLWQCPN-VIFPVBQESA-N 0 1 297.315 0.159 20 5 CCBDMN COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000352591088 356024462 /nfs/dbraw/zinc/02/44/62/356024462.db2.gz SARSLMCCLWQCPN-VIFPVBQESA-N 0 1 297.315 0.159 20 5 CCBDMN COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000352591088 356024468 /nfs/dbraw/zinc/02/44/68/356024468.db2.gz SARSLMCCLWQCPN-VIFPVBQESA-N 0 1 297.315 0.159 20 5 CCBDMN CSc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])nn2C)n1 ZINC000360811605 138011402 /nfs/dbraw/zinc/01/14/02/138011402.db2.gz HYSSUXGCXIMAAT-UHFFFAOYSA-N 0 1 283.273 0.421 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2C[C@H](CO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000360829006 138012635 /nfs/dbraw/zinc/01/26/35/138012635.db2.gz AMPNPFXOXPVYAA-RKDXNWHRSA-N 0 1 296.327 0.971 20 5 CCBDMN CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CCO1 ZINC000619565870 366282975 /nfs/dbraw/zinc/28/29/75/366282975.db2.gz KMVDJJNHSXLMNF-ZETCQYMHSA-N 0 1 270.245 0.071 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000609257681 363480413 /nfs/dbraw/zinc/48/04/13/363480413.db2.gz HRYUXEHYSOLVNE-VIFPVBQESA-N 0 1 281.316 0.461 20 5 CCBDMN COCCN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000609269387 363486582 /nfs/dbraw/zinc/48/65/82/363486582.db2.gz OTTBPHCWIPERFQ-SNVBAGLBSA-N 0 1 296.327 0.764 20 5 CCBDMN COc1ccc([N+](=O)[O-])c(C(=O)NCc2nn[nH]n2)c1 ZINC000609532216 363502578 /nfs/dbraw/zinc/50/25/78/363502578.db2.gz HUEHYDLFZPPABM-UHFFFAOYSA-N 0 1 278.228 0.047 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC(O)(C3CC3)C2)c1[N+](=O)[O-] ZINC000364038262 357080140 /nfs/dbraw/zinc/08/01/40/357080140.db2.gz NJWWXIOCYWLKHS-UHFFFAOYSA-N 0 1 294.311 0.867 20 5 CCBDMN C[C@@H]1CCC[C@@]1(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000294396670 199025177 /nfs/dbraw/zinc/02/51/77/199025177.db2.gz SUPXCCQZICKKCR-RDDDGLTNSA-N 0 1 268.273 0.599 20 5 CCBDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000408067221 357899519 /nfs/dbraw/zinc/89/95/19/357899519.db2.gz BDQPAAOJTRTWBN-VHSXEESVSA-N 0 1 281.316 0.342 20 5 CCBDMN CC1(C(N)=O)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000569808026 358794070 /nfs/dbraw/zinc/79/40/70/358794070.db2.gz REDPYTDCOWSKAB-UHFFFAOYSA-N 0 1 263.297 0.945 20 5 CCBDMN [NH3+][C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CC1 ZINC000573246803 358951822 /nfs/dbraw/zinc/95/18/22/358951822.db2.gz DTQYKCQUEZXOQW-SECBINFHSA-N 0 1 266.257 0.163 20 5 CCBDMN CCN1CCN(c2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000611084552 363657389 /nfs/dbraw/zinc/65/73/89/363657389.db2.gz DCTUXHFRRRCVBQ-VIFPVBQESA-N 0 1 253.306 0.859 20 5 CCBDMN C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000590776545 359523202 /nfs/dbraw/zinc/52/32/02/359523202.db2.gz XSYHCBYUBQRGTL-KCJUWKMLSA-N 0 1 292.295 0.472 20 5 CCBDMN C[N@H+]1CC[C@@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000590776545 359523207 /nfs/dbraw/zinc/52/32/07/359523207.db2.gz XSYHCBYUBQRGTL-KCJUWKMLSA-N 0 1 292.295 0.472 20 5 CCBDMN CC[C@@H](C)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000297065860 200075970 /nfs/dbraw/zinc/07/59/70/200075970.db2.gz VAHYKHRHFLRMFF-LLVKDONJSA-N 0 1 295.343 0.734 20 5 CCBDMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563280043 291211920 /nfs/dbraw/zinc/21/19/20/291211920.db2.gz JRKTUEXLDQODGL-UWVGGRQHSA-N 0 1 298.295 0.739 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CN(C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592900682 359972436 /nfs/dbraw/zinc/97/24/36/359972436.db2.gz HQKUQMUAZHQQOS-SSDOTTSWSA-N 0 1 295.299 0.702 20 5 CCBDMN CC(C)n1cnc(=NC(=O)c2ccc([N+](=O)[O-])n2C)[nH]1 ZINC000593230392 360053232 /nfs/dbraw/zinc/05/32/32/360053232.db2.gz STPSTVIMKXNAQF-UHFFFAOYSA-N 0 1 278.272 0.780 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)CCO)c1[N+](=O)[O-] ZINC000593881600 360193285 /nfs/dbraw/zinc/19/32/85/360193285.db2.gz WCULZKAXOFWTIJ-SSDOTTSWSA-N 0 1 270.289 0.723 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(C)C2)n1 ZINC000611335053 363708626 /nfs/dbraw/zinc/70/86/26/363708626.db2.gz SSTIIHDRODAYCE-QMMMGPOBSA-N 0 1 267.289 0.152 20 5 CCBDMN CC(C)(CO)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000594378224 360287881 /nfs/dbraw/zinc/28/78/81/360287881.db2.gz MKVLLCHFRIHZRA-JTQLQIEISA-N 0 1 282.300 0.845 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCCCCO ZINC000594773176 360380503 /nfs/dbraw/zinc/38/05/03/360380503.db2.gz WPKDGZVQHIIKHL-UHFFFAOYSA-N 0 1 289.313 0.431 20 5 CCBDMN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1F ZINC000611502297 363726966 /nfs/dbraw/zinc/72/69/66/363726966.db2.gz RALYISWUEKHMOA-JLLWLGSASA-N 0 1 286.307 0.832 20 5 CCBDMN O=C(NCC1(CO)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611558603 363737765 /nfs/dbraw/zinc/73/77/65/363737765.db2.gz CPSVKYOOSOMOPK-UHFFFAOYSA-N 0 1 266.253 0.803 20 5 CCBDMN Cc1nnc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)o1 ZINC000611554558 363737907 /nfs/dbraw/zinc/73/79/07/363737907.db2.gz VCTFLDYELRLWJX-UHFFFAOYSA-N 0 1 278.224 0.922 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](O)C2)c1 ZINC000178860441 189151173 /nfs/dbraw/zinc/15/11/73/189151173.db2.gz KMZQVWOBPVPRMI-VXGBXAGGSA-N 0 1 252.270 0.695 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000596465627 360902239 /nfs/dbraw/zinc/90/22/39/360902239.db2.gz LQNMUUYJMQVWLH-UHFFFAOYSA-N 0 1 252.274 0.557 20 5 CCBDMN CN1CC2(C1)CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 ZINC000597573096 361142976 /nfs/dbraw/zinc/14/29/76/361142976.db2.gz YUDQQXNIBRTOBV-UHFFFAOYSA-N 0 1 264.285 0.701 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CCOC2)c1[N+](=O)[O-] ZINC000597721363 361211109 /nfs/dbraw/zinc/21/11/09/361211109.db2.gz VATLXPSRTDAXRK-UHFFFAOYSA-N 0 1 254.246 0.700 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(NCc2nn[nH]n2)c1 ZINC000611752914 363776691 /nfs/dbraw/zinc/77/66/91/363776691.db2.gz LTZHSBQVGSTQDA-UHFFFAOYSA-N 0 1 278.228 0.507 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC=CCC2)n1 ZINC000599238224 361617790 /nfs/dbraw/zinc/61/77/90/361617790.db2.gz OZJDUQYJCNCESH-MRVPVSSYSA-N 0 1 286.313 0.715 20 5 CCBDMN C[C@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)c1nnc[nH]1 ZINC000301909567 201257846 /nfs/dbraw/zinc/25/78/46/201257846.db2.gz BEHHEELIGZKPBA-YFKPBYRVSA-N 0 1 277.244 0.380 20 5 CCBDMN CC[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])OC ZINC000599309768 361645911 /nfs/dbraw/zinc/64/59/11/361645911.db2.gz KLYYURWKSJNICQ-ZETCQYMHSA-N 0 1 292.317 0.032 20 5 CCBDMN C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)C(=O)[O-] ZINC000564738826 291297848 /nfs/dbraw/zinc/29/78/48/291297848.db2.gz RCPCIIUYQKPJMY-UHFFFAOYSA-N 0 1 256.262 0.586 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CC[C@@H](n3cncn3)C2)c1 ZINC000614419272 364599818 /nfs/dbraw/zinc/59/98/18/364599818.db2.gz DMZCAPPIDRVVRJ-SNVBAGLBSA-N 0 1 277.288 0.330 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000275839063 193144060 /nfs/dbraw/zinc/14/40/60/193144060.db2.gz LQFPKTRGJCCUFN-QMMMGPOBSA-N 0 1 282.300 0.859 20 5 CCBDMN C[N@@H+](CCC(=O)[O-])C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565249020 291366992 /nfs/dbraw/zinc/36/69/92/291366992.db2.gz CLPSWBMPAMICLH-LLVKDONJSA-N 0 1 298.295 0.741 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)c1[N+](=O)[O-] ZINC000330846588 203306934 /nfs/dbraw/zinc/30/69/34/203306934.db2.gz OUGGVBRKNMBBEL-INMOSUBGSA-N 0 1 288.329 0.465 20 5 CCBDMN O=C1N=NC2CN(Cc3cc(O)ccc3[N+](=O)[O-])CCN12 ZINC000332658003 285137273 /nfs/dbraw/zinc/13/72/73/285137273.db2.gz WHJNUNCSDHCUTJ-UHFFFAOYSA-N 0 1 291.267 0.613 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC(=O)N[C@H](C)C2)c1[N+](=O)[O-] ZINC000296231913 285163239 /nfs/dbraw/zinc/16/32/39/285163239.db2.gz POQASVHIRBMYKR-SSDOTTSWSA-N 0 1 295.299 0.402 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)[C@@H]2COC[C@H]2O)c1[N+](=O)[O-] ZINC000288236315 197033661 /nfs/dbraw/zinc/03/36/61/197033661.db2.gz FMLOKPDFMIGZGR-RKDXNWHRSA-N 0 1 298.299 0.102 20 5 CCBDMN CN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 ZINC000284776921 388783414 /nfs/dbraw/zinc/78/34/14/388783414.db2.gz ANJJWSIWESGNKT-UWVGGRQHSA-N 0 1 295.295 0.733 20 5 CCBDMN C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H](C)[N@@H+]1C ZINC000292712336 388954771 /nfs/dbraw/zinc/95/47/71/388954771.db2.gz GUVQEMWOAVXRQQ-DTORHVGOSA-N 0 1 253.306 0.857 20 5 CCBDMN C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H](C)N1C ZINC000292712336 388954773 /nfs/dbraw/zinc/95/47/73/388954773.db2.gz GUVQEMWOAVXRQQ-DTORHVGOSA-N 0 1 253.306 0.857 20 5 CCBDMN CNC(=O)CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000298410673 389017271 /nfs/dbraw/zinc/01/72/71/389017271.db2.gz YZJQGGANISGBLO-UHFFFAOYSA-N 0 1 291.267 0.289 20 5 CCBDMN CC1=CCN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000355542374 389091071 /nfs/dbraw/zinc/09/10/71/389091071.db2.gz AXGDITQZSUZYHZ-UHFFFAOYSA-N 0 1 293.327 0.560 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000339888911 389140271 /nfs/dbraw/zinc/14/02/71/389140271.db2.gz CUCJBWZTBOQYJI-SSDOTTSWSA-N 0 1 295.299 0.531 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000264610744 389338394 /nfs/dbraw/zinc/33/83/94/389338394.db2.gz OTJDYLBCGQRTQG-MRVPVSSYSA-N 0 1 295.299 0.360 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](O)CC[C@H]2C)c1[N+](=O)[O-] ZINC000422004464 389388738 /nfs/dbraw/zinc/38/87/38/389388738.db2.gz KGPZCUSAKWTCHN-SFYZADRCSA-N 0 1 282.300 0.866 20 5 CCBDMN COC(=O)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269117762 389403262 /nfs/dbraw/zinc/40/32/62/389403262.db2.gz GEGLRAQPYZDBQJ-LURJTMIESA-N 0 1 268.225 0.592 20 5 CCBDMN CCNC(=O)C1CN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000176183844 389554266 /nfs/dbraw/zinc/55/42/66/389554266.db2.gz YVSMLSAEBHBKIZ-UHFFFAOYSA-N 0 1 295.299 0.088 20 5 CCBDMN C[C@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000374614618 389593829 /nfs/dbraw/zinc/59/38/29/389593829.db2.gz VNZAQFBLTNWKNX-SVDPJWKOSA-N 0 1 254.286 0.725 20 5 CCBDMN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1O ZINC000351943687 389720988 /nfs/dbraw/zinc/72/09/88/389720988.db2.gz HORKAXDSUIZDSN-PRHODGIISA-N 0 1 279.296 0.506 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000425540662 389651459 /nfs/dbraw/zinc/65/14/59/389651459.db2.gz FDRXCRPHPPMWCW-SECBINFHSA-N 0 1 277.288 0.399 20 5 CCBDMN O=C(C1CC1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000375251301 389655256 /nfs/dbraw/zinc/65/52/56/389655256.db2.gz SUSBKOBZHKQUGX-GHMZBOCLSA-N 0 1 281.312 0.123 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000352013942 389735543 /nfs/dbraw/zinc/73/55/43/389735543.db2.gz KZOLJDIEVPSORT-NXEZZACHSA-N 0 1 295.343 0.651 20 5 CCBDMN CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1O ZINC000446074314 389930787 /nfs/dbraw/zinc/93/07/87/389930787.db2.gz WYOJMICCGOJROZ-LBPRGKRZSA-N 0 1 295.339 0.849 20 5 CCBDMN CO[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1OC ZINC000488024489 390091277 /nfs/dbraw/zinc/09/12/77/390091277.db2.gz KMISTMOBZVGLHU-RYUDHWBXSA-N 0 1 297.311 0.102 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CCCN(CCO)CC2)c(F)c1 ZINC000577826926 390846617 /nfs/dbraw/zinc/84/66/17/390846617.db2.gz MXMVAFINTSYMDB-UHFFFAOYSA-N 0 1 284.291 0.633 20 5 CCBDMN COC(=O)[C@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000412754636 533535334 /nfs/dbraw/zinc/53/53/34/533535334.db2.gz YPELRNYZCWLQMN-DTORHVGOSA-N 0 1 294.263 0.982 20 5 CCBDMN COC(=O)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000191860284 130319147 /nfs/dbraw/zinc/31/91/47/130319147.db2.gz UVJNDBNZPKCPJV-QWRGUYRKSA-N 0 1 296.327 0.922 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1 ZINC000237639665 131049552 /nfs/dbraw/zinc/04/95/52/131049552.db2.gz DJBDMAHMMPZUEM-ZETCQYMHSA-N 0 1 282.275 0.750 20 5 CCBDMN CCN(CCC(=O)OC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264161482 131403969 /nfs/dbraw/zinc/40/39/69/131403969.db2.gz JDUMZWSKVVHFTL-UHFFFAOYSA-N 0 1 284.272 0.652 20 5 CCBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nncn1C ZINC000269258930 132144769 /nfs/dbraw/zinc/14/47/69/132144769.db2.gz AQCPVNVBLZTHMK-ZETCQYMHSA-N 0 1 291.267 0.920 20 5 CCBDMN Cc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])nc(C)n1 ZINC000356984244 144048439 /nfs/dbraw/zinc/04/84/39/144048439.db2.gz NDHFTVKOVNJVRN-UHFFFAOYSA-N 0 1 276.256 0.655 20 5 CCBDMN O=C(NCCN1CC=CCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000357638350 144106972 /nfs/dbraw/zinc/10/69/72/144106972.db2.gz UXPNKHLFVBQVBS-UHFFFAOYSA-N 0 1 264.285 0.915 20 5 CCBDMN C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1C(=O)[O-] ZINC000424260164 533689713 /nfs/dbraw/zinc/68/97/13/533689713.db2.gz AXEKZQBHHGCOFZ-KOLCDFICSA-N 0 1 282.300 0.976 20 5 CCBDMN CO[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000286369486 277323623 /nfs/dbraw/zinc/32/36/23/277323623.db2.gz LIBSEBAQFNHTDF-ZCFIWIBFSA-N 0 1 256.262 0.733 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCn3ccnc3C2)c1[N+](=O)[O-] ZINC000331931654 280189112 /nfs/dbraw/zinc/18/91/12/280189112.db2.gz VRXCPMWCCOSMDC-UHFFFAOYSA-N 0 1 276.256 0.479 20 5 CCBDMN C[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130433130 290129265 /nfs/dbraw/zinc/12/92/65/290129265.db2.gz DAEYKDNFWHCBTA-VIFPVBQESA-N 0 1 279.296 0.982 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000576036968 335143983 /nfs/dbraw/zinc/14/39/83/335143983.db2.gz CWXVROXBCOXWSN-RKDXNWHRSA-N 0 1 292.295 0.377 20 5 CCBDMN CCCCCN(CCn1ccc([N+](=O)[O-])n1)CC(N)=O ZINC000183056227 520174572 /nfs/dbraw/zinc/17/45/72/520174572.db2.gz QKNDZGXWEVBDLS-UHFFFAOYSA-N 0 1 283.332 0.769 20 5 CCBDMN CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)[O-] ZINC000184927584 521674759 /nfs/dbraw/zinc/67/47/59/521674759.db2.gz QZSWCZYTPFNAIA-UHFFFAOYSA-N 0 1 256.262 0.588 20 5 CCBDMN CCC(=O)N1CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000425015821 528326299 /nfs/dbraw/zinc/32/62/99/528326299.db2.gz DHMYDBJVDLZMFI-UHFFFAOYSA-N 0 1 295.299 0.532 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000341794533 535997881 /nfs/dbraw/zinc/99/78/81/535997881.db2.gz YYJIHHUXIYRVDF-DTWKUNHWSA-N 0 1 282.300 0.866 20 5 CCBDMN COC[C@@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000357701646 536637545 /nfs/dbraw/zinc/63/75/45/536637545.db2.gz XFVBVQXSKRRZGJ-SSDOTTSWSA-N 0 1 294.267 0.208 20 5 CCBDMN COC(=O)[C@]1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000370465737 536835176 /nfs/dbraw/zinc/83/51/76/536835176.db2.gz UBQXONFRCDDLHD-SOCHQFKDSA-N 0 1 256.258 0.063 20 5 CCBDMN Cc1nonc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780525873 581232203 /nfs/dbraw/zinc/23/22/03/581232203.db2.gz JIEZXHJDKVQRSK-UHFFFAOYSA-N 0 1 278.224 0.922 20 5 CCBDMN CC(C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000794409875 581368376 /nfs/dbraw/zinc/36/83/76/581368376.db2.gz PQTACTPFUMCTHA-UHFFFAOYSA-N 0 1 295.299 0.449 20 5 CCBDMN COC(=O)[C@H]1[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000794951070 581392182 /nfs/dbraw/zinc/39/21/82/581392182.db2.gz GOSOYBYODMWPQC-URLYPYJESA-N 0 1 280.284 0.142 20 5 CCBDMN Cc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N)n[nH]1 ZINC000795296817 581403200 /nfs/dbraw/zinc/40/32/00/581403200.db2.gz LQWROOGALGIPTK-UHFFFAOYSA-N 0 1 277.240 0.961 20 5 CCBDMN O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000786489217 581442926 /nfs/dbraw/zinc/44/29/26/581442926.db2.gz FRRADQRKDALWKH-UHFFFAOYSA-N 0 1 295.211 0.885 20 5 CCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)OCCc1c[nH]nn1 ZINC000735093974 581618577 /nfs/dbraw/zinc/61/85/77/581618577.db2.gz LVXWVPWMEBKDJW-UHFFFAOYSA-N 0 1 280.244 0.085 20 5 CCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)OCCc1cnn[nH]1 ZINC000735093974 581618581 /nfs/dbraw/zinc/61/85/81/581618581.db2.gz LVXWVPWMEBKDJW-UHFFFAOYSA-N 0 1 280.244 0.085 20 5 CCBDMN Cc1nn(C[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000740250983 581651713 /nfs/dbraw/zinc/65/17/13/581651713.db2.gz CSWDGTSZQVEYQY-JTQLQIEISA-N 0 1 297.315 0.955 20 5 CCBDMN Cc1nn(C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000740250983 581651715 /nfs/dbraw/zinc/65/17/15/581651715.db2.gz CSWDGTSZQVEYQY-JTQLQIEISA-N 0 1 297.315 0.955 20 5 CCBDMN CO[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000753807508 581701808 /nfs/dbraw/zinc/70/18/08/581701808.db2.gz UJCFNWRHHPQJIT-MELADBBJSA-N 0 1 296.323 0.974 20 5 CCBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@H](O)C[C@H](O)C2)cc1 ZINC000776593062 582083548 /nfs/dbraw/zinc/08/35/48/582083548.db2.gz VIDCDFGQRRGTDF-XQQFMLRXSA-N 0 1 282.296 0.056 20 5 CCBDMN O=C([O-])[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821510623 600680041 /nfs/dbraw/zinc/68/00/41/600680041.db2.gz VSLUDDWOLBBOSD-QWRGUYRKSA-N 0 1 298.299 0.091 20 5 CCBDMN O=C([O-])C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000833248167 601115463 /nfs/dbraw/zinc/11/54/63/601115463.db2.gz AUZYOSOZZIGTAJ-UHFFFAOYSA-N 0 1 298.299 0.357 20 5 CCBDMN C[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(=O)[O-] ZINC000828464290 601814097 /nfs/dbraw/zinc/81/40/97/601814097.db2.gz SYWIIGWQKJLNQN-CBAPKCEASA-N 0 1 254.246 0.401 20 5 CCBDMN C[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(=O)[O-] ZINC000828464290 601814099 /nfs/dbraw/zinc/81/40/99/601814099.db2.gz SYWIIGWQKJLNQN-CBAPKCEASA-N 0 1 254.246 0.401 20 5 CCBDMN C[C@]1(C(=O)[O-])CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000833554233 604967894 /nfs/dbraw/zinc/96/78/94/604967894.db2.gz OGYMIQAIUXVKRH-ZDUSSCGKSA-N 0 1 295.295 0.553 20 5 CCBDMN O=C([O-])N[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834189504 606030391 /nfs/dbraw/zinc/03/03/91/606030391.db2.gz MOYYKUBUJVVYLY-PWSUYJOCSA-N 0 1 295.295 0.970 20 5 CCBDMN C/C=C/C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OCC ZINC000840421757 613183997 /nfs/dbraw/zinc/18/39/97/613183997.db2.gz XGLFOLUDJCPICM-MTFAUPNUSA-N 0 1 270.285 0.666 20 5 CCBDMN CC(C)OC(=O)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839725945 613986688 /nfs/dbraw/zinc/98/66/88/613986688.db2.gz QBOHKRNUFRKDOD-RKDXNWHRSA-N 0 1 258.274 0.500 20 5 CCBDMN CC(C)OC(=O)[C@@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839703358 613995417 /nfs/dbraw/zinc/99/54/17/613995417.db2.gz JWWQAZIAODCKIX-IWSPIJDZSA-N 0 1 258.274 0.450 20 5 CCBDMN CC(C)(C)[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839747204 614041387 /nfs/dbraw/zinc/04/13/87/614041387.db2.gz AFKNKDNXZWDDGA-OPRDCNLKSA-N 0 1 256.302 0.925 20 5 CCBDMN CC1(C)C[C@](C)(NC(=O)c2n[nH]cc2[N+](=O)[O-])C(=O)O1 ZINC000820542100 614797757 /nfs/dbraw/zinc/79/77/57/614797757.db2.gz MFHWPEYBYBZPIW-NSHDSACASA-N 0 1 282.256 0.532 20 5 CCBDMN CCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000963892348 614908404 /nfs/dbraw/zinc/90/84/04/614908404.db2.gz FXUVRMRDXYNZGL-DDHJBXDOSA-N 0 1 297.355 0.853 20 5 CCBDMN CCN1CCN(c2c([N+](=O)[O-])cnn2C)C[C@H]1C ZINC000892970509 615162535 /nfs/dbraw/zinc/16/25/35/615162535.db2.gz HPOXBMGHNOBJNQ-SECBINFHSA-N 0 1 253.306 0.859 20 5 CCBDMN CCOC(=O)[C@]1(COC)CCCN(CC[N+](=O)[O-])C1 ZINC000930313794 615396408 /nfs/dbraw/zinc/39/64/08/615396408.db2.gz GBANBVZUTATMBR-GFCCVEGCSA-N 0 1 274.317 0.555 20 5 CCBDMN CC[C@@H](C)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000843620715 615453415 /nfs/dbraw/zinc/45/34/15/615453415.db2.gz MNOLXAKKHQQYRU-ZYUZMQFOSA-N 0 1 272.301 0.746 20 5 CCBDMN CCc1nc([C@H](C)OC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000849699668 615757109 /nfs/dbraw/zinc/75/71/09/615757109.db2.gz LJKIEUZMUKSLMO-ZETCQYMHSA-N 0 1 294.271 0.776 20 5 CCBDMN CN(C(=O)C1=CCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954035171 615789026 /nfs/dbraw/zinc/78/90/26/615789026.db2.gz AQEMXKRXPLNMHN-VXGBXAGGSA-N 0 1 293.323 0.431 20 5 CCBDMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000827823335 615844858 /nfs/dbraw/zinc/84/48/58/615844858.db2.gz UPRWHDOHRCJOHP-JTQLQIEISA-N 0 1 297.315 0.866 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC(C)(C)C)C1 ZINC000954235650 615867301 /nfs/dbraw/zinc/86/73/01/615867301.db2.gz ZECJOEWMUQRHGN-GHMZBOCLSA-N 0 1 297.355 0.757 20 5 CCBDMN CN(CCN1CCOC(C)(C)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839746031 616089038 /nfs/dbraw/zinc/08/90/38/616089038.db2.gz FTRYWHSNWISDCL-GHMZBOCLSA-N 0 1 285.344 0.221 20 5 CCBDMN CN(c1ccc(CNCC[N+](=O)[O-])cc1)S(C)(=O)=O ZINC000905104270 616118312 /nfs/dbraw/zinc/11/83/12/616118312.db2.gz ORGOPALEEHBSHQ-UHFFFAOYSA-N 0 1 287.341 0.449 20 5 CCBDMN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000852497180 616162874 /nfs/dbraw/zinc/16/28/74/616162874.db2.gz VZJOXVBWOZXYFK-UONOGXRCSA-N 0 1 296.323 0.975 20 5 CCBDMN C[NH+]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844206622 616247228 /nfs/dbraw/zinc/24/72/28/616247228.db2.gz GVHKCADZKAJJDL-UHFFFAOYSA-N 0 1 279.296 0.974 20 5 CCBDMN CN1CC[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819088802 616280487 /nfs/dbraw/zinc/28/04/87/616280487.db2.gz FSDVLLUZTDKCQK-NEPJUHHUSA-N 0 1 279.296 0.449 20 5 CCBDMN C[C@@H](CNc1c([N+](=O)[O-])cnn1C)N1CCN(C)CC1 ZINC000892280086 622771136 /nfs/dbraw/zinc/77/11/36/622771136.db2.gz FXKSWWAOFCCEGK-JTQLQIEISA-N 0 1 282.348 0.376 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000892318884 622847971 /nfs/dbraw/zinc/84/79/71/622847971.db2.gz IKJQIXINBRPLPP-CMPLNLGQSA-N 0 1 295.343 0.364 20 5 CCBDMN O=C(COc1ccccc1)N1CC[C@H](NCC[N+](=O)[O-])C1 ZINC000905254496 634827651 /nfs/dbraw/zinc/82/76/51/634827651.db2.gz LYAZQAWRJJKRHT-LBPRGKRZSA-N 0 1 293.323 0.533 20 5 CCBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1nn[nH]n1 ZINC000095233899 630938726 /nfs/dbraw/zinc/93/87/26/630938726.db2.gz NYNUUANOLFRVOC-UTCJRWHESA-N 0 1 274.240 0.438 20 5 CCBDMN NC(=O)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000840671252 631672629 /nfs/dbraw/zinc/67/26/29/631672629.db2.gz SCQJZRQKRCIZCU-BBBLOLIVSA-N 0 1 282.227 0.561 20 5 CCBDMN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1COCO1)OCCO2 ZINC000894871983 631863694 /nfs/dbraw/zinc/86/36/94/631863694.db2.gz HQOQAZLYWMVFPG-SNVBAGLBSA-N 0 1 296.279 0.829 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ncccn1 ZINC000898973585 633703826 /nfs/dbraw/zinc/70/38/26/633703826.db2.gz XKEQPBXAMREJTJ-OPRDCNLKSA-N 0 1 262.269 0.805 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000899431477 633821126 /nfs/dbraw/zinc/82/11/26/633821126.db2.gz FBHUICQQSPYDMK-DNRKLUKYSA-N 0 1 254.286 0.415 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@](CO)(C(F)(F)F)C1 ZINC000899603270 633842935 /nfs/dbraw/zinc/84/29/35/633842935.db2.gz HTZAFROCVFLGKV-BHNWBGBOSA-N 0 1 282.218 0.425 20 5 CCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1=CCCC1 ZINC000990802668 633847673 /nfs/dbraw/zinc/84/76/73/633847673.db2.gz COCIIPZBEAPVGN-GHMZBOCLSA-N 0 1 279.296 0.089 20 5 CCBDMN O=C(c1ccoc1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010340380 650203147 /nfs/dbraw/zinc/20/31/47/650203147.db2.gz NZJWARIJIZQOCS-GHMZBOCLSA-N 0 1 293.279 0.229 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000911801084 636394120 /nfs/dbraw/zinc/39/41/20/636394120.db2.gz YALZKPBHRUMAAD-RKDXNWHRSA-N 0 1 281.316 0.309 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C(=O)C2(CF)CC2)CC1 ZINC001011115585 650286422 /nfs/dbraw/zinc/28/64/22/650286422.db2.gz LXLNUAWDDDMGCX-NXEZZACHSA-N 0 1 299.302 0.072 20 5 CCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC2(CC2)C1 ZINC000999327682 638975084 /nfs/dbraw/zinc/97/50/84/638975084.db2.gz ACFKSWWHFWFMAR-GHMZBOCLSA-N 0 1 293.323 0.169 20 5 CCBDMN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000839703763 640354309 /nfs/dbraw/zinc/35/43/09/640354309.db2.gz JXAISVCNCDTFDH-LXUNUROVSA-N 0 1 254.286 0.725 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000839710268 640356669 /nfs/dbraw/zinc/35/66/69/640356669.db2.gz QWPDCBLIAYJKGG-OJAKKHQRSA-N 0 1 278.308 0.760 20 5 CCBDMN O=C(N[C@H](CO)c1ccsc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839729502 640359536 /nfs/dbraw/zinc/35/95/36/640359536.db2.gz ZJHRUGHHFFRYNY-IWSPIJDZSA-N 0 1 256.283 0.563 20 5 CCBDMN O=C(NCCCO[C@@H]1CCCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839749036 640360797 /nfs/dbraw/zinc/36/07/97/640360797.db2.gz BQVMFNOSEUWJBX-GMTAPVOTSA-N 0 1 272.301 0.701 20 5 CCBDMN C[C@@H](C[C@H](O)c1ccco1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840396700 641427809 /nfs/dbraw/zinc/42/78/09/641427809.db2.gz RATQVGQLFLLAOK-JLIMGVALSA-N 0 1 268.269 0.873 20 5 CCBDMN C[S@@](=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000828311190 642084998 /nfs/dbraw/zinc/08/49/98/642084998.db2.gz MTDBJLWRPXOIBC-CFMSYZGJSA-N 0 1 298.368 0.855 20 5 CCBDMN C[C@@H]1[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1C(=O)[O-] ZINC000833830652 642543109 /nfs/dbraw/zinc/54/31/09/642543109.db2.gz WETKQEYRZVOXDX-VHSXEESVSA-N 0 1 297.315 0.864 20 5 CCBDMN C[C@@H]1[C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1C(=O)[O-] ZINC000833830652 642543116 /nfs/dbraw/zinc/54/31/16/642543116.db2.gz WETKQEYRZVOXDX-VHSXEESVSA-N 0 1 297.315 0.864 20 5 CCBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCNC(=O)C1 ZINC000837571953 642753560 /nfs/dbraw/zinc/75/35/60/642753560.db2.gz HIJNTKVZPFAAHB-MRVPVSSYSA-N 0 1 294.263 0.870 20 5 CCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC2(CCC2)O1 ZINC000843730819 643103819 /nfs/dbraw/zinc/10/38/19/643103819.db2.gz KQRNAJBIZDBVAQ-IVZWLZJFSA-N 0 1 254.286 0.822 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C2(O)CC2)CC1 ZINC000846325932 643398038 /nfs/dbraw/zinc/39/80/38/643398038.db2.gz IDQNHRHBURZPEV-NXEZZACHSA-N 0 1 254.286 0.415 20 5 CCBDMN Cn1cc(CCOC(=O)c2ccc([N+](=O)[O-])[nH]2)nn1 ZINC000851370501 643844717 /nfs/dbraw/zinc/84/47/17/643844717.db2.gz HXWHNUYGWHUDRZ-UHFFFAOYSA-N 0 1 265.229 0.451 20 5 CCBDMN O=C(N[C@@H](CO)c1ccc(F)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000856273991 644405513 /nfs/dbraw/zinc/40/55/13/644405513.db2.gz WJUMVEWGFFRARF-DVVUODLYSA-N 0 1 286.234 0.780 20 5 CCBDMN COc1ncccc1CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000870780239 646023318 /nfs/dbraw/zinc/02/33/18/646023318.db2.gz BSLQRDMMCDDQJG-NXEZZACHSA-N 0 1 266.253 0.841 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN[C@@H](c2ccc(F)cc2)C1 ZINC000874890580 646493554 /nfs/dbraw/zinc/49/35/54/646493554.db2.gz UVFQCSZUFNSRIR-JHJVBQTASA-N 0 1 293.298 0.964 20 5 CCBDMN O=[N+]([O-])c1c(F)nccc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000882545440 647417021 /nfs/dbraw/zinc/41/70/21/647417021.db2.gz GLJKXELNCYBBHP-DTWKUNHWSA-N 0 1 282.275 0.384 20 5 CCBDMN Cn1nc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C1CC1 ZINC000885902587 647885523 /nfs/dbraw/zinc/88/55/23/647885523.db2.gz UEAAZVZSSRPRPF-MWLCHTKSSA-N 0 1 264.285 0.579 20 5 CCBDMN C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886249135 647936345 /nfs/dbraw/zinc/93/63/45/647936345.db2.gz DGFRPCFONSJPQU-NWDGAFQWSA-N 0 1 294.355 0.877 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOc2ccccc2[C@H]1CO ZINC000887116513 648071041 /nfs/dbraw/zinc/07/10/41/648071041.db2.gz AJJPUGVBHNFYBY-IJLUTSLNSA-N 0 1 292.291 0.606 20 5 CCBDMN O=C(NCC1(C2(O)CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000887536524 648125657 /nfs/dbraw/zinc/12/56/57/648125657.db2.gz QUDREGQCDJKDBV-RKDXNWHRSA-N 0 1 254.286 0.463 20 5 CCBDMN O=C(NCc1nc2c(s1)CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000927649302 648574680 /nfs/dbraw/zinc/57/46/80/648574680.db2.gz FLXCGIVWWFHSGN-HTRCEHHLSA-N 0 1 267.310 0.913 20 5 CCBDMN C[C@]1([C@H]2CCCN(CC[N+](=O)[O-])C2)COC(=O)N1 ZINC000932016206 649042999 /nfs/dbraw/zinc/04/29/99/649042999.db2.gz JVGCFPDFCBFQQP-GXSJLCMTSA-N 0 1 257.290 0.474 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000935091267 649209515 /nfs/dbraw/zinc/20/95/15/649209515.db2.gz WGEALBIBBJUGTJ-AOOOYVTPSA-N 0 1 295.343 0.651 20 5 CCBDMN Cc1cnc(N2C[C@@H]3[C@H](C2)OCCN3C)c([N+](=O)[O-])c1 ZINC000471703211 719372551 /nfs/dbraw/zinc/37/25/51/719372551.db2.gz YZXVRUKBUAMPNQ-NEPJUHHUSA-N 0 1 278.312 0.817 20 5 CCBDMN CCO[C@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001141956251 800050139 /nfs/dbraw/zinc/05/01/39/800050139.db2.gz VNSDDYHMCANWIR-KNVOCYPGSA-N 0 1 254.246 0.615 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C(=O)NC)C2)c1[N+](=O)[O-] ZINC001142620985 800138253 /nfs/dbraw/zinc/13/82/53/800138253.db2.gz VNVZMRRRQLEQSK-SSDOTTSWSA-N 0 1 295.299 0.088 20 5 CCBDMN CN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1CO ZINC001151358732 800418643 /nfs/dbraw/zinc/41/86/43/800418643.db2.gz IXEWNZZVYBGCMO-NSHDSACASA-N 0 1 295.295 0.049 20 5 CCBDMN COC(=O)c1n[nH]cc1Nc1nc(C)ncc1[N+](=O)[O-] ZINC001158633421 801674360 /nfs/dbraw/zinc/67/43/60/801674360.db2.gz QVWSCVDXVGLXLB-UHFFFAOYSA-N 0 1 278.228 0.947 20 5 CCBDMN CC(=O)NCC[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001160627088 801983296 /nfs/dbraw/zinc/98/32/96/801983296.db2.gz IKULYKVLZJNWMO-QJPTWQEYSA-N 0 1 283.328 0.416 20 5 CCBDMN CCCc1[nH]nc(C(=O)OCc2nnc[nH]2)c1[N+](=O)[O-] ZINC001261588986 809026663 /nfs/dbraw/zinc/02/66/63/809026663.db2.gz RJLRGOBQZCLEIE-UHFFFAOYSA-N 0 1 280.244 0.746 20 5 CCBDMN CN(C)C1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001163940173 802637584 /nfs/dbraw/zinc/63/75/84/802637584.db2.gz FELWLTLYTBNXBH-UHFFFAOYSA-N 0 1 272.692 0.632 20 5 CCBDMN Nc1cc([N+](=O)[O-])cnc1N1CC[C@H](N)C(F)(F)C1 ZINC001166958994 802993604 /nfs/dbraw/zinc/99/36/04/802993604.db2.gz OMBCIGBYMUGQBN-QMMMGPOBSA-N 0 1 273.243 0.745 20 5 CCBDMN C[N@H+]1CCC[C@@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])C1 ZINC001226330857 805218867 /nfs/dbraw/zinc/21/88/67/805218867.db2.gz FCASDJKAXKIUTA-SSDOTTSWSA-N 0 1 254.246 0.563 20 5 CCBDMN Cc1nc(OCC(=O)OC(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382594 805526483 /nfs/dbraw/zinc/52/64/83/805526483.db2.gz UZKOIRHZLJQNGN-UHFFFAOYSA-N 0 1 271.229 0.729 20 5 CCBDMN Cc1nc(O[C@H]2CCCOC2=O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229383378 805526522 /nfs/dbraw/zinc/52/65/22/805526522.db2.gz ZWWQARVYVMRMFF-LURJTMIESA-N 0 1 269.213 0.483 20 5 CCBDMN O=C(NCc1nncn1C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001253929765 808159710 /nfs/dbraw/zinc/15/97/10/808159710.db2.gz GFWHDESMIGVVDX-UHFFFAOYSA-N 0 1 277.244 0.174 20 5 CCBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC[P@@](=O)([O-])O)C2 ZINC001254583877 808264050 /nfs/dbraw/zinc/26/40/50/808264050.db2.gz OMRAOSSUWOKENQ-JTQLQIEISA-N 0 1 286.224 0.829 20 5 CCBDMN NC(=O)C1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602521 808265586 /nfs/dbraw/zinc/26/55/86/808265586.db2.gz FZZMGIXVKHYQFV-LBPRGKRZSA-N 0 1 261.281 0.479 20 5 CCBDMN CCCNC(=O)[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001262648909 809383600 /nfs/dbraw/zinc/38/36/00/809383600.db2.gz UMTMFKQKZXCKJH-MRVPVSSYSA-N 0 1 295.295 0.945 20 5 CCBDMN Cc1nc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC000839486419 814045615 /nfs/dbraw/zinc/04/56/15/814045615.db2.gz FJRMLQCCCXYKDK-RKDXNWHRSA-N 0 1 255.299 0.775 20 5 CCBDMN Cc1ncoc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031662835 817227881 /nfs/dbraw/zinc/22/78/81/817227881.db2.gz NHUODNPHUBKZPH-GHMZBOCLSA-N 0 1 294.311 0.196 20 5 CCBDMN Cc1cnc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001031661971 817227985 /nfs/dbraw/zinc/22/79/85/817227985.db2.gz PEKPZIHULHAZTC-GHMZBOCLSA-N 0 1 294.311 0.196 20 5 CCBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)NC12CCN(CC1)C2 ZINC000715813342 818502873 /nfs/dbraw/zinc/50/28/73/818502873.db2.gz JBVMGJRBEMVHOP-UHFFFAOYSA-N 0 1 276.296 0.755 20 5 CCBDMN NCc1nnnn1-c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001168919080 836049975 /nfs/dbraw/zinc/04/99/75/836049975.db2.gz VCKGJHPKAZOGDO-UHFFFAOYSA-N 0 1 290.218 0.112 20 5 CCBDMN C[C@@H]1C(=O)N(C)CCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039498 836111969 /nfs/dbraw/zinc/11/19/69/836111969.db2.gz QDEWLUABYKSAHJ-VWYCJHECSA-N 0 1 255.318 0.594 20 5 CCBDMN CN1Cc2cc(NC[C@H]3COCCN3)cc([N+](=O)[O-])c2N1 ZINC001170045942 836787345 /nfs/dbraw/zinc/78/73/45/836787345.db2.gz CQSYUBHPOJLEBN-NSHDSACASA-N 0 1 293.327 0.767 20 5 CCBDMN CN1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001135487196 839261274 /nfs/dbraw/zinc/26/12/74/839261274.db2.gz SIUVYHVMLUOTCO-UHFFFAOYSA-N 0 1 253.262 0.096 20 5 CCBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1cnon1 ZINC001135576911 839304824 /nfs/dbraw/zinc/30/48/24/839304824.db2.gz KMKLWCWTDYPKPS-UHFFFAOYSA-N 0 1 291.267 0.497 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@H]2COC)c1[N+](=O)[O-] ZINC001178592214 842877552 /nfs/dbraw/zinc/87/75/52/842877552.db2.gz SXOPXYZQAOBZJA-MRVPVSSYSA-N 0 1 298.299 0.368 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cscn2)C1 ZINC001042710818 850741332 /nfs/dbraw/zinc/74/13/32/850741332.db2.gz KQLJBFQPPIPJPZ-GHMZBOCLSA-N 0 1 296.352 0.451 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCN(CCCCO)CC2)c1 ZINC001116350651 855750679 /nfs/dbraw/zinc/75/06/79/855750679.db2.gz JEBRHCPAEFJDQC-UHFFFAOYSA-N 0 1 297.359 0.181 20 5 CCBDMN O=C(N[C@H]1CCc2nc[nH]c2C1)c1[nH]ncc1[N+](=O)[O-] ZINC001324677742 912978496 /nfs/dbraw/zinc/97/84/96/912978496.db2.gz ZUKFTVHHMJNFCS-LURJTMIESA-N 0 1 276.256 0.328 20 5 CCBDMN O=[N+]([O-])c1ncn(Cc2nc([C@@H]3CCCN3)no2)n1 ZINC001326487261 913986381 /nfs/dbraw/zinc/98/63/81/913986381.db2.gz UBMOICZYUIXDPN-LURJTMIESA-N 0 1 265.233 0.042 20 5 CCBDMN CC(C)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CC1 ZINC001488440594 900302297 /nfs/dbraw/zinc/30/22/97/900302297.db2.gz OMIRRIYKUFKPEX-VXGBXAGGSA-N 0 1 297.355 0.757 20 5 CCBDMN CCCCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285907672 905806565 /nfs/dbraw/zinc/80/65/65/905806565.db2.gz OQGSBFFIOYSDFO-NXEZZACHSA-N 0 1 283.328 0.607 20 5 CCBDMN CC1(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001293307606 906461354 /nfs/dbraw/zinc/46/13/54/906461354.db2.gz UJUVSSJUIQCBCW-NXEZZACHSA-N 0 1 283.328 0.464 20 5 CCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)/C=C/C1CC1 ZINC001296301763 906898753 /nfs/dbraw/zinc/89/87/53/906898753.db2.gz YLDMFDGICRMQQB-IEVRTODYSA-N 0 1 295.339 0.583 20 5 CCBDMN COC(=O)C[C@@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC001302666145 908032233 /nfs/dbraw/zinc/03/22/33/908032233.db2.gz FARJLADSNADXFH-GFCCVEGCSA-N 0 1 296.283 0.780 20 5 CCBDMN CC(C)C[C@@H](C(N)=O)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001302959675 908053805 /nfs/dbraw/zinc/05/38/05/908053805.db2.gz AKRKSRHRQFWCLS-HLTSFMKQSA-N 0 1 257.290 0.010 20 5 CCBDMN C[C@H](NC(=O)CCc1nn[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC001303552864 908094517 /nfs/dbraw/zinc/09/45/17/908094517.db2.gz QJHKPOCTYMPLSY-QMMMGPOBSA-N 0 1 290.283 0.918 20 5 CCBDMN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1nnc[nH]1 ZINC001307317054 908301598 /nfs/dbraw/zinc/30/15/98/908301598.db2.gz VEBNHKSCAZYDQC-UHFFFAOYSA-N 0 1 255.621 0.576 20 5 CCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnsn1 ZINC001317479813 909248364 /nfs/dbraw/zinc/24/83/64/909248364.db2.gz KIPFFOPPLTYBFP-NXEZZACHSA-N 0 1 299.356 0.141 20 5 CCBDMN COCc1nc(CNc2c([N+](=O)[O-])ncn2C)n[nH]1 ZINC001333737410 919131336 /nfs/dbraw/zinc/13/13/36/919131336.db2.gz SBNFSKJRJMWZCT-UHFFFAOYSA-N 0 1 267.249 0.205 20 5 CCBDMN COCc1nnc(CNc2c([N+](=O)[O-])ncn2C)[nH]1 ZINC001333737410 919131347 /nfs/dbraw/zinc/13/13/47/919131347.db2.gz SBNFSKJRJMWZCT-UHFFFAOYSA-N 0 1 267.249 0.205 20 5 CCBDMN Cc1cc(C[C@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC001341474197 922505509 /nfs/dbraw/zinc/50/55/09/922505509.db2.gz UHDLITRJAUIMRV-ZETCQYMHSA-N 0 1 292.299 0.721 20 5 CCBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCNC[C@@H]1CO ZINC001342437276 922960121 /nfs/dbraw/zinc/96/01/21/922960121.db2.gz DDUPXPKDDXYRFH-CYBMUJFWSA-N 0 1 293.323 0.320 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCc2nc[nH]c2C1 ZINC001347758126 924530562 /nfs/dbraw/zinc/53/05/62/924530562.db2.gz PVFFGWRNLXFTBJ-UHFFFAOYSA-N 0 1 276.256 0.099 20 5 CCBDMN CCC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001353607555 925883774 /nfs/dbraw/zinc/88/37/74/925883774.db2.gz OJSBGLOQLZTZCI-GWOFURMSSA-N 0 1 297.355 0.851 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])s1)N1CCNC[C@H]1CO ZINC001358040058 926623475 /nfs/dbraw/zinc/62/34/75/926623475.db2.gz XPUKUFAUJMCCKI-ZETCQYMHSA-N 0 1 271.298 0.063 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000125323690 187179527 /nfs/dbraw/zinc/17/95/27/187179527.db2.gz JUQFTCIYAHWSPC-SECBINFHSA-N 0 1 267.289 0.002 20 5 CCBDMN O=[N+]([O-])c1ccc2[nH]c(N3CCN(CCO)CC3)nc2c1 ZINC000094772282 349574611 /nfs/dbraw/zinc/57/46/11/349574611.db2.gz WJJNQGZPUVJKBZ-UHFFFAOYSA-N 0 1 291.311 0.585 20 5 CCBDMN O=C(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)N1CCCO1 ZINC000600055754 361856948 /nfs/dbraw/zinc/85/69/48/361856948.db2.gz OHNKMJYEDMCGBB-UHFFFAOYSA-N 0 1 295.251 0.194 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCO[C@@H](CCF)C2)c1[N+](=O)[O-] ZINC000600489564 361990560 /nfs/dbraw/zinc/99/05/60/361990560.db2.gz SKVLFDILGKBARS-QMMMGPOBSA-N 0 1 286.263 0.827 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000600808113 362065580 /nfs/dbraw/zinc/06/55/80/362065580.db2.gz IJTGYXIOBJMFDR-JTQLQIEISA-N 0 1 295.295 0.097 20 5 CCBDMN O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2COCCN2)c1 ZINC000600954044 362099418 /nfs/dbraw/zinc/09/94/18/362099418.db2.gz LMLWTUUPZLXCSP-LLVKDONJSA-N 0 1 288.307 0.965 20 5 CCBDMN Cc1nn(C)c(C(=O)N2CCNC[C@@H]2C)c1[N+](=O)[O-] ZINC000126311761 282255175 /nfs/dbraw/zinc/25/51/75/282255175.db2.gz JHFCRSQIBHGEDQ-ZETCQYMHSA-N 0 1 267.289 0.071 20 5 CCBDMN Nc1nc(NCc2n[nH]c(C3CC3)n2)ncc1[N+](=O)[O-] ZINC000295059125 199324643 /nfs/dbraw/zinc/32/46/43/199324643.db2.gz YPFKRFDNRXKSIF-UHFFFAOYSA-N 0 1 276.260 0.575 20 5 CCBDMN CN(C)CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601775524 362386987 /nfs/dbraw/zinc/38/69/87/362386987.db2.gz FJHKDBUTZRERRO-ZDUSSCGKSA-N 0 1 281.312 0.480 20 5 CCBDMN C[C@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000602198305 362553998 /nfs/dbraw/zinc/55/39/98/362553998.db2.gz ZBNOQWHIWSNBJX-YGRLFVJLSA-N 0 1 295.339 0.869 20 5 CCBDMN CCCN(CCn1c(C)ncc1[N+](=O)[O-])CC(=O)N(C)C ZINC000602768659 362790426 /nfs/dbraw/zinc/79/04/26/362790426.db2.gz OXXVWXPYFLVVRD-UHFFFAOYSA-N 0 1 297.359 0.900 20 5 CCBDMN C[C@@H]1[C@@H](C)N(Cc2cn(C)nc2[N+](=O)[O-])CCN1C ZINC000602798123 362806288 /nfs/dbraw/zinc/80/62/88/362806288.db2.gz MUUITNMUNUIJDO-NXEZZACHSA-N 0 1 267.333 0.853 20 5 CCBDMN CCN1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602832998 362825453 /nfs/dbraw/zinc/82/54/53/362825453.db2.gz VEBAHEBXTSZFJU-JTQLQIEISA-N 0 1 267.333 0.854 20 5 CCBDMN COCCOC[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343511542 137139932 /nfs/dbraw/zinc/13/99/32/137139932.db2.gz DORRQGWVSFEOCG-SSDOTTSWSA-N 0 1 272.261 0.099 20 5 CCBDMN CNC(=O)CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343589631 137144106 /nfs/dbraw/zinc/14/41/06/137144106.db2.gz NHFTYQGLNQIHLV-UHFFFAOYSA-N 0 1 294.311 0.601 20 5 CCBDMN CSC[C@H](CCO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344986019 137226101 /nfs/dbraw/zinc/22/61/01/137226101.db2.gz ICQHGKHRACNBAL-LURJTMIESA-N 0 1 274.302 0.162 20 5 CCBDMN C[C@@]1(F)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000347366558 137333010 /nfs/dbraw/zinc/33/30/10/137333010.db2.gz ZREATUITJHOAFS-WDEREUQCSA-N 0 1 272.280 0.586 20 5 CCBDMN C[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000347616784 137345671 /nfs/dbraw/zinc/34/56/71/137345671.db2.gz VOLYNEABILZNDS-RXMQYKEDSA-N 0 1 265.316 0.282 20 5 CCBDMN Cc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000347928184 137364453 /nfs/dbraw/zinc/36/44/53/137364453.db2.gz UZQKHPWVASCXTP-JTQLQIEISA-N 0 1 293.327 0.935 20 5 CCBDMN CNC(=O)CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844729 348515250 /nfs/dbraw/zinc/51/52/50/348515250.db2.gz IIPQIJLYWKYQGZ-UHFFFAOYSA-N 0 1 292.339 0.853 20 5 CCBDMN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000080317948 349208916 /nfs/dbraw/zinc/20/89/16/349208916.db2.gz CPEFSYRDJKWZJI-UTUOFQBUSA-N 0 1 289.291 0.090 20 5 CCBDMN C[C@@H](C[S@](C)=O)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000273487434 192171748 /nfs/dbraw/zinc/17/17/48/192171748.db2.gz MCVUZYWIBMFOMM-IIYDVTGLSA-N 0 1 286.309 0.797 20 5 CCBDMN O=C(NCCc1ccccn1)c1n[nH]cc1[N+](=O)[O-] ZINC000159265956 350673616 /nfs/dbraw/zinc/67/36/16/350673616.db2.gz NGJRLDVWJZJSPC-UHFFFAOYSA-N 0 1 261.241 0.685 20 5 CCBDMN C[C@@H](O)[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000168442676 350826812 /nfs/dbraw/zinc/82/68/12/350826812.db2.gz BCUOAZOZOZOKSW-MWLCHTKSSA-N 0 1 293.323 0.896 20 5 CCBDMN CCCc1n[nH]c(C(=O)N[C@@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC000174545471 351091458 /nfs/dbraw/zinc/09/14/58/351091458.db2.gz FFXZBDZCZGDXEB-LURJTMIESA-N 0 1 293.287 0.880 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C)[C@H]2CO)c1[N+](=O)[O-] ZINC000192933240 351804444 /nfs/dbraw/zinc/80/44/44/351804444.db2.gz LUDBSLTWPLHAQE-IONNQARKSA-N 0 1 282.300 0.723 20 5 CCBDMN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000247697899 352424028 /nfs/dbraw/zinc/42/40/28/352424028.db2.gz XBMGTCAQDZHFOY-ZYHUDNBSSA-N 0 1 298.343 0.652 20 5 CCBDMN COCCN1CC[C@@H](Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000265125712 352620661 /nfs/dbraw/zinc/62/06/61/352620661.db2.gz LCAQTRJLAGYDRL-SNVBAGLBSA-N 0 1 283.332 0.769 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC000269651514 352858964 /nfs/dbraw/zinc/85/89/64/352858964.db2.gz ZOPDIDFLLVKQLE-UHFFFAOYSA-N 0 1 296.283 0.605 20 5 CCBDMN NC(=O)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC1 ZINC000270721505 352973307 /nfs/dbraw/zinc/97/33/07/352973307.db2.gz KSXXZXCKPXELMQ-UHFFFAOYSA-N 0 1 281.272 0.093 20 5 CCBDMN CCc1nnc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])[nH]1 ZINC000270740551 352976163 /nfs/dbraw/zinc/97/61/63/352976163.db2.gz CGLVQJHGFGSSQS-RXMQYKEDSA-N 0 1 279.260 0.489 20 5 CCBDMN CCc1nc([C@@H](C)NC(=O)c2[nH]ncc2[N+](=O)[O-])n[nH]1 ZINC000270740551 352976165 /nfs/dbraw/zinc/97/61/65/352976165.db2.gz CGLVQJHGFGSSQS-RXMQYKEDSA-N 0 1 279.260 0.489 20 5 CCBDMN CCC(O)(CC)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270790648 352986576 /nfs/dbraw/zinc/98/65/76/352986576.db2.gz JXJDZLAVCODWNE-UHFFFAOYSA-N 0 1 256.262 0.599 20 5 CCBDMN CC(=O)NCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272636205 353081448 /nfs/dbraw/zinc/08/14/48/353081448.db2.gz WXOFURSSPFQXHL-UHFFFAOYSA-N 0 1 281.268 0.556 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)n1 ZINC000272664010 353084187 /nfs/dbraw/zinc/08/41/87/353084187.db2.gz RWLJUUWXVKMLNL-VHSXEESVSA-N 0 1 293.327 0.495 20 5 CCBDMN Cc1nn(C)c(C(=O)N(C)[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000153420294 188081467 /nfs/dbraw/zinc/08/14/67/188081467.db2.gz VTOHHLSFXIGNOK-JTQLQIEISA-N 0 1 295.343 0.803 20 5 CCBDMN C[C@@H](O)CN1CCN(c2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000276125716 353207086 /nfs/dbraw/zinc/20/70/86/353207086.db2.gz NPHKFBKKKVDQGR-NXEZZACHSA-N 0 1 281.316 0.276 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(Nc2ccn(CCO)n2)n1 ZINC000531707176 358477470 /nfs/dbraw/zinc/47/74/70/358477470.db2.gz FHTZRQIOYRJTQC-UHFFFAOYSA-N 0 1 263.257 0.653 20 5 CCBDMN CN1CCN(C)[C@H](CNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000282230325 353404773 /nfs/dbraw/zinc/40/47/73/353404773.db2.gz PCMRJAUJHUYENH-LLVKDONJSA-N 0 1 279.344 0.835 20 5 CCBDMN C[C@@H](CO)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000283687981 353523121 /nfs/dbraw/zinc/52/31/21/353523121.db2.gz QSUHYMRIGNDBIH-ZETCQYMHSA-N 0 1 278.268 0.924 20 5 CCBDMN C[C@@H](O)CN(CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000289905011 353693086 /nfs/dbraw/zinc/69/30/86/353693086.db2.gz SSSHPTJZKIRJFZ-SECBINFHSA-N 0 1 272.276 0.909 20 5 CCBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C[NH+](C)C ZINC000293657700 353828308 /nfs/dbraw/zinc/82/83/08/353828308.db2.gz BZOCARIGVKRFJD-MRVPVSSYSA-N 0 1 282.300 0.623 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H]2COC)c1[N+](=O)[O-] ZINC000293949495 353854172 /nfs/dbraw/zinc/85/41/72/353854172.db2.gz PZDVTSDDYCQZDE-ZETCQYMHSA-N 0 1 268.273 0.741 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C2CC2)C2COC2)c1[N+](=O)[O-] ZINC000295885704 353922463 /nfs/dbraw/zinc/92/24/63/353922463.db2.gz YTEJKQPUCKZVKV-UHFFFAOYSA-N 0 1 266.257 0.630 20 5 CCBDMN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[NH+](C)C ZINC000299247243 354002377 /nfs/dbraw/zinc/00/23/77/354002377.db2.gz LLDQMEHKDVYAEH-ZETCQYMHSA-N 0 1 268.273 0.375 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000299443480 354017417 /nfs/dbraw/zinc/01/74/17/354017417.db2.gz LTPRYGQVNRCRQW-BQBZGAKWSA-N 0 1 268.273 0.876 20 5 CCBDMN C[C@]1(C(N)=O)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339150383 355495708 /nfs/dbraw/zinc/49/57/08/355495708.db2.gz WLDXIQOHMAYZBK-ZDUSSCGKSA-N 0 1 279.296 0.998 20 5 CCBDMN COCC1(O)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000340234722 355534732 /nfs/dbraw/zinc/53/47/32/355534732.db2.gz BGZNTXMNPLCEKL-UHFFFAOYSA-N 0 1 284.316 0.265 20 5 CCBDMN COc1ccncc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000348238647 355895021 /nfs/dbraw/zinc/89/50/21/355895021.db2.gz DESSRNISKFVXEL-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN COc1cc[nH+]cc1CNC(=O)c1[n-]ncc1[N+](=O)[O-] ZINC000348238647 355895024 /nfs/dbraw/zinc/89/50/24/355895024.db2.gz DESSRNISKFVXEL-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN O=C(NC[C@H]1CCC[C@H](CO)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000360638875 138003867 /nfs/dbraw/zinc/00/38/67/138003867.db2.gz LTCLXQKJDJAVTJ-IUCAKERBSA-N 0 1 282.300 0.846 20 5 CCBDMN C[N@H+]1CC[C@](O)(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000354678297 356471893 /nfs/dbraw/zinc/47/18/93/356471893.db2.gz IPALSYMJCZTEBE-ZDUSSCGKSA-N 0 1 295.295 0.097 20 5 CCBDMN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1nn[nH]n1 ZINC000532397384 358509734 /nfs/dbraw/zinc/50/97/34/358509734.db2.gz RTGNOLDEIHBINB-QMMMGPOBSA-N 0 1 291.271 0.774 20 5 CCBDMN O=C(N[C@H](CO)c1ccc(F)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000356368403 356754645 /nfs/dbraw/zinc/75/46/45/356754645.db2.gz KUNYSGPPHYPTGU-SECBINFHSA-N 0 1 294.242 0.920 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1C[C@H](O)C[C@H](O)C1 ZINC000610604371 363583955 /nfs/dbraw/zinc/58/39/55/363583955.db2.gz OOJFNHQPJXPRMV-PHIMTYICSA-N 0 1 282.296 0.401 20 5 CCBDMN O=[N+]([O-])c1cnc(NC[C@@H]2CCCN2CCCO)s1 ZINC000450601588 236099449 /nfs/dbraw/zinc/09/94/49/236099449.db2.gz YLVRUOSDHABXCT-VIFPVBQESA-N 0 1 286.357 0.732 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](O)C[C@H]2C)c1[N+](=O)[O-] ZINC000408291937 358013766 /nfs/dbraw/zinc/01/37/66/358013766.db2.gz AUBZHQBORGJYJR-VDTYLAMSSA-N 0 1 254.246 0.222 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC(O)CC2)c1[N+](=O)[O-] ZINC000408353031 358047580 /nfs/dbraw/zinc/04/75/80/358047580.db2.gz XHWLYXCKUPJWPQ-UHFFFAOYSA-N 0 1 268.273 0.477 20 5 CCBDMN CCn1ccnc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000573018853 358932517 /nfs/dbraw/zinc/93/25/17/358932517.db2.gz FWSCVRZFLIQTRV-UHFFFAOYSA-N 0 1 264.245 0.464 20 5 CCBDMN CCN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611088047 363657591 /nfs/dbraw/zinc/65/75/91/363657591.db2.gz AIPCXDJUBBFZFO-NSHDSACASA-N 0 1 295.343 0.734 20 5 CCBDMN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCc2nc[nH]c2C1 ZINC000590377540 359445594 /nfs/dbraw/zinc/44/55/94/359445594.db2.gz HFODKOWHWLCCEQ-UHFFFAOYSA-N 0 1 289.251 0.617 20 5 CCBDMN NCc1nnnn1CCOc1ccc([N+](=O)[O-])cc1 ZINC000592173283 359777669 /nfs/dbraw/zinc/77/76/69/359777669.db2.gz XLVVMDJKDVNWPN-UHFFFAOYSA-N 0 1 264.245 0.119 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000593032879 360018633 /nfs/dbraw/zinc/01/86/33/360018633.db2.gz FHHXZRSZDMQWEA-SKDRFNHKSA-N 0 1 268.269 0.085 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000593032879 360018639 /nfs/dbraw/zinc/01/86/39/360018639.db2.gz FHHXZRSZDMQWEA-SKDRFNHKSA-N 0 1 268.269 0.085 20 5 CCBDMN CCCN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298275529 200379239 /nfs/dbraw/zinc/37/92/39/200379239.db2.gz DAAXWBZKZUSGRX-UHFFFAOYSA-N 0 1 293.327 0.621 20 5 CCBDMN CCc1n[nH]c(C(=O)NCCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000593902539 360200645 /nfs/dbraw/zinc/20/06/45/360200645.db2.gz GVALJCCEFINPPJ-UHFFFAOYSA-N 0 1 293.287 0.361 20 5 CCBDMN Cc1noc(CN2CCc3n[nH]nc3C2)c1[N+](=O)[O-] ZINC000595457706 360539563 /nfs/dbraw/zinc/53/95/63/360539563.db2.gz ZSJYNZIUERRNIY-UHFFFAOYSA-N 0 1 264.245 0.568 20 5 CCBDMN NC(=O)c1cc(NCCN2CCC2)ccc1[N+](=O)[O-] ZINC000596174983 360822150 /nfs/dbraw/zinc/82/21/50/360822150.db2.gz NZTOYHZBAGUUAW-UHFFFAOYSA-N 0 1 264.285 0.811 20 5 CCBDMN C[C@@H](CN1CCN(C)CC1)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596123693 360804050 /nfs/dbraw/zinc/80/40/50/360804050.db2.gz OENONAOAKNQJAD-JTQLQIEISA-N 0 1 294.359 0.042 20 5 CCBDMN CCc1nc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)n[nH]1 ZINC000596256111 360853838 /nfs/dbraw/zinc/85/38/38/360853838.db2.gz ZVIYLEQJEYZPAA-UHFFFAOYSA-N 0 1 290.283 0.986 20 5 CCBDMN C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)[C@@H](C)CN1CCO ZINC000596275144 360864114 /nfs/dbraw/zinc/86/41/14/360864114.db2.gz NOVVKPIDSNWAEF-UWVGGRQHSA-N 0 1 295.343 0.463 20 5 CCBDMN COCc1nc(CNc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000596437309 360896209 /nfs/dbraw/zinc/89/62/09/360896209.db2.gz WDRUPIFVAVSYJP-UHFFFAOYSA-N 0 1 264.245 0.866 20 5 CCBDMN COCc1nnc(CNc2ccc([N+](=O)[O-])cn2)[nH]1 ZINC000596437309 360896213 /nfs/dbraw/zinc/89/62/13/360896213.db2.gz WDRUPIFVAVSYJP-UHFFFAOYSA-N 0 1 264.245 0.866 20 5 CCBDMN CN1CC2(C1)CCN(C(=O)c1ccnc(N)c1[N+](=O)[O-])C2 ZINC000597568113 361141314 /nfs/dbraw/zinc/14/13/14/361141314.db2.gz KJNGCKCTEXULJS-UHFFFAOYSA-N 0 1 291.311 0.180 20 5 CCBDMN COC[C@H](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])OC ZINC000597888480 361277044 /nfs/dbraw/zinc/27/70/44/361277044.db2.gz RVHOYBQTPYQLDY-ZETCQYMHSA-N 0 1 272.261 0.099 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@]3(O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000598226680 361358849 /nfs/dbraw/zinc/35/88/49/361358849.db2.gz UPTCRCBXEYMLQE-JVXZTZIISA-N 0 1 280.284 0.477 20 5 CCBDMN Cc1[nH]nc(C(=O)N2Cc3cnn(C)c3C2)c1[N+](=O)[O-] ZINC000598941111 361534728 /nfs/dbraw/zinc/53/47/28/361534728.db2.gz UPWIDDNLWKMQCG-UHFFFAOYSA-N 0 1 276.256 0.516 20 5 CCBDMN O=[N+]([O-])c1cnc(NCCN2CC[C@H](O)C2)c(F)c1 ZINC000599199458 361608463 /nfs/dbraw/zinc/60/84/63/361608463.db2.gz LKRSXFRLALWJID-VIFPVBQESA-N 0 1 270.264 0.607 20 5 CCBDMN CCCCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599204474 361610932 /nfs/dbraw/zinc/61/09/32/361610932.db2.gz WJBSSLNZJNAUKW-UHFFFAOYSA-N 0 1 276.318 0.797 20 5 CCBDMN C[C@@H](C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1)C(=O)[O-] ZINC000564575877 291286500 /nfs/dbraw/zinc/28/65/00/291286500.db2.gz HSBWRITXXLKOAC-VIFPVBQESA-N 0 1 282.300 0.976 20 5 CCBDMN O=[N+]([O-])c1cc2ccccc2nc1NCc1nn[nH]n1 ZINC000616058027 365166517 /nfs/dbraw/zinc/16/65/17/365166517.db2.gz OXMFCRQIUSSZHW-UHFFFAOYSA-N 0 1 271.240 0.690 20 5 CCBDMN O=C(N[C@@H]1CCc2[nH]cnc2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354239274 284116792 /nfs/dbraw/zinc/11/67/92/284116792.db2.gz PIHHXMTVRGIDCD-ZCFIWIBFSA-N 0 1 276.256 0.328 20 5 CCBDMN O=C(NCc1cnc[nH]1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445008846 249028375 /nfs/dbraw/zinc/02/83/75/249028375.db2.gz LWFZWSZMHLUOGA-UHFFFAOYSA-N 0 1 263.213 0.349 20 5 CCBDMN C[N@H+]1C[C@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000279208301 194332995 /nfs/dbraw/zinc/33/29/95/194332995.db2.gz NEVZRPOVZVHTSX-AOOOYVTPSA-N 0 1 292.295 0.329 20 5 CCBDMN C[N@@H+]1C[C@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000279208301 194332997 /nfs/dbraw/zinc/33/29/97/194332997.db2.gz NEVZRPOVZVHTSX-AOOOYVTPSA-N 0 1 292.295 0.329 20 5 CCBDMN O=[N+]([O-])c1cnc2c(c1)CN(CCn1cncn1)CC2 ZINC000332111194 285184184 /nfs/dbraw/zinc/18/41/84/285184184.db2.gz BVTKXUHTXFWOQG-UHFFFAOYSA-N 0 1 274.284 0.640 20 5 CCBDMN C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000572640882 291893698 /nfs/dbraw/zinc/89/36/98/291893698.db2.gz JLIBEZWPAMKMCN-SFYZADRCSA-N 0 1 280.284 0.505 20 5 CCBDMN O=C(N[C@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000288408302 197069704 /nfs/dbraw/zinc/06/97/04/197069704.db2.gz GNLLVRHEARWLKT-JTQLQIEISA-N 0 1 297.311 0.764 20 5 CCBDMN O=c1nc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cn3)C2)[nH][nH]1 ZINC000286134325 285226370 /nfs/dbraw/zinc/22/63/70/285226370.db2.gz APZQRVSENGDPAM-SSDOTTSWSA-N 0 1 291.271 0.180 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N(C)CCC(N)=O)c1[N+](=O)[O-] ZINC000286145632 388837184 /nfs/dbraw/zinc/83/71/84/388837184.db2.gz FLHVELLGLDCPDV-UHFFFAOYSA-N 0 1 283.288 0.389 20 5 CCBDMN CC(C)CN(CCn1cc([N+](=O)[O-])ccc1=O)CC(N)=O ZINC000090517042 389020652 /nfs/dbraw/zinc/02/06/52/389020652.db2.gz GYRQSTHDMKZJAB-UHFFFAOYSA-N 0 1 296.327 0.200 20 5 CCBDMN C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H](C)N1 ZINC000154242108 389311442 /nfs/dbraw/zinc/31/14/42/389311442.db2.gz LZTQRWWUUZMJLN-AOOOYVTPSA-N 0 1 295.343 0.735 20 5 CCBDMN CN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000157302183 389330619 /nfs/dbraw/zinc/33/06/19/389330619.db2.gz LFKGXOREOKNHDZ-UHFFFAOYSA-N 0 1 278.312 0.955 20 5 CCBDMN COCCN1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000264608837 389338717 /nfs/dbraw/zinc/33/87/17/389338717.db2.gz PBDOYELHTXVQKV-VIFPVBQESA-N 0 1 269.305 0.461 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCSC[C@@H]2CCO)c1 ZINC000331011910 389282603 /nfs/dbraw/zinc/28/26/03/389282603.db2.gz ZUHBZXHDJHOPBL-JTQLQIEISA-N 0 1 286.357 0.591 20 5 CCBDMN CN(C)CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365927881 389290164 /nfs/dbraw/zinc/29/01/64/389290164.db2.gz MMQTZYGDSYDMGJ-UHFFFAOYSA-N 0 1 281.316 0.516 20 5 CCBDMN CN1CCN(C)[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000264749033 389351773 /nfs/dbraw/zinc/35/17/73/389351773.db2.gz SEZAMWDNSFAHDX-ZDUSSCGKSA-N 0 1 292.339 0.570 20 5 CCBDMN Cc1cc(C[C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])[nH]n1 ZINC000159251625 389361955 /nfs/dbraw/zinc/36/19/55/389361955.db2.gz QKRPDCBYPPTAPS-LURJTMIESA-N 0 1 278.272 0.710 20 5 CCBDMN Cc1cc(C[C@H](C)NC(=O)c2[nH]ncc2[N+](=O)[O-])n[nH]1 ZINC000159251625 389361962 /nfs/dbraw/zinc/36/19/62/389361962.db2.gz QKRPDCBYPPTAPS-LURJTMIESA-N 0 1 278.272 0.710 20 5 CCBDMN C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000422830592 389486296 /nfs/dbraw/zinc/48/62/96/389486296.db2.gz VUSGRZMXFRGYGT-KNVOCYPGSA-N 0 1 253.262 0.140 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(CC(F)F)CC1 ZINC000374286192 389565923 /nfs/dbraw/zinc/56/59/23/389565923.db2.gz FLHVYJLUMAPFRW-RKDXNWHRSA-N 0 1 277.271 0.451 20 5 CCBDMN CCc1nc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n[nH]1 ZINC000351693621 389657666 /nfs/dbraw/zinc/65/76/66/389657666.db2.gz MJJPOHYEVMWDEP-UHFFFAOYSA-N 0 1 292.255 0.076 20 5 CCBDMN CCc1n[nH]c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000351693621 389657670 /nfs/dbraw/zinc/65/76/70/389657670.db2.gz MJJPOHYEVMWDEP-UHFFFAOYSA-N 0 1 292.255 0.076 20 5 CCBDMN O=C(NCc1ncccc1O)c1n[nH]cc1[N+](=O)[O-] ZINC000352518567 389824453 /nfs/dbraw/zinc/82/44/53/389824453.db2.gz YIEBHWJIFRRVEA-UHFFFAOYSA-N 0 1 263.213 0.349 20 5 CCBDMN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)[C@@H](C)O1 ZINC000446073208 389930449 /nfs/dbraw/zinc/93/04/49/389930449.db2.gz XBIZZOBMYTVDIX-UZWSLXQKSA-N 0 1 298.343 0.650 20 5 CCBDMN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)[C@H](C)O1 ZINC000446073207 389930711 /nfs/dbraw/zinc/93/07/11/389930711.db2.gz XBIZZOBMYTVDIX-DCQANWLSSA-N 0 1 298.343 0.650 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000446365842 389934756 /nfs/dbraw/zinc/93/47/56/389934756.db2.gz CLIWERBFBICSBX-DTORHVGOSA-N 0 1 264.285 0.889 20 5 CCBDMN CN1CC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000440069644 390031102 /nfs/dbraw/zinc/03/11/02/390031102.db2.gz IAIPUAUTLRUVAW-NSHDSACASA-N 0 1 299.352 0.718 20 5 CCBDMN CC(C)Oc1nc(NCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000584479922 390349128 /nfs/dbraw/zinc/34/91/28/390349128.db2.gz LYGDSZJNVOQUOE-UHFFFAOYSA-N 0 1 292.299 0.972 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](CO)[C@@H](O)C1 ZINC000547405351 390372548 /nfs/dbraw/zinc/37/25/48/390372548.db2.gz XNUVPSMNLLNFNE-PELKAZGASA-N 0 1 296.279 0.116 20 5 CCBDMN COC(=O)N1CCC(OC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000497254255 390445144 /nfs/dbraw/zinc/44/51/44/390445144.db2.gz USLFRFSFXNJDJD-RKDXNWHRSA-N 0 1 272.257 0.426 20 5 CCBDMN CCN1CCC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000519835164 390552715 /nfs/dbraw/zinc/55/27/15/390552715.db2.gz DZZZUQKWHKNBDR-QMMMGPOBSA-N 0 1 267.289 0.532 20 5 CCBDMN CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000577868452 390850197 /nfs/dbraw/zinc/85/01/97/390850197.db2.gz VUAJCZHSRNJBLB-QMMMGPOBSA-N 0 1 282.300 0.943 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000330378236 533318954 /nfs/dbraw/zinc/31/89/54/533318954.db2.gz FVRLHFQOFFKIJA-RNFRBKRXSA-N 0 1 254.246 0.473 20 5 CCBDMN C[C@@H](CCO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000268838223 132074545 /nfs/dbraw/zinc/07/45/45/132074545.db2.gz MTAIQLYHLWXTDC-ZETCQYMHSA-N 0 1 278.268 0.972 20 5 CCBDMN C[N@H+]1CC[C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269169421 132124149 /nfs/dbraw/zinc/12/41/49/132124149.db2.gz GTORBWSNGSOLQL-SECBINFHSA-N 0 1 279.296 0.982 20 5 CCBDMN CN1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1=O ZINC000269177526 132125339 /nfs/dbraw/zinc/12/53/39/132125339.db2.gz KCQGZCKJIFLCFZ-JTQLQIEISA-N 0 1 279.252 0.261 20 5 CCBDMN CN(C)C(=O)CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269271206 132147611 /nfs/dbraw/zinc/14/76/11/132147611.db2.gz GLXIKCQBJHLZDW-UHFFFAOYSA-N 0 1 281.268 0.461 20 5 CCBDMN COC(=O)CN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269386829 132163516 /nfs/dbraw/zinc/16/35/16/132163516.db2.gz QJQHGACWCPITPH-UHFFFAOYSA-N 0 1 284.272 0.686 20 5 CCBDMN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1c[nH]nn1 ZINC000352161423 397463911 /nfs/dbraw/zinc/46/39/11/397463911.db2.gz XDBHLSJXGIOZPN-UHFFFAOYSA-N 0 1 273.208 0.509 20 5 CCBDMN O=C(N[C@H]1C=C[C@@H](CO)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356636497 144021434 /nfs/dbraw/zinc/02/14/34/144021434.db2.gz ROSUVWBDCDGRAE-SCZZXKLOSA-N 0 1 278.264 0.967 20 5 CCBDMN O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000356725501 144027433 /nfs/dbraw/zinc/02/74/33/144027433.db2.gz AZWPASBYPMZQQE-OIBJUYFYSA-N 0 1 293.283 0.105 20 5 CCBDMN C[C@H]1CO[C@H](CO)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356806328 144035059 /nfs/dbraw/zinc/03/50/59/144035059.db2.gz SDBFSUUVSHBJCS-UFBFGSQYSA-N 0 1 296.279 0.522 20 5 CCBDMN O=C(NCCc1csc(=O)[nH]1)c1n[nH]cc1[N+](=O)[O-] ZINC000357709903 144114977 /nfs/dbraw/zinc/11/49/77/144114977.db2.gz HPQYVXMENKLLIB-UHFFFAOYSA-N 0 1 283.269 0.453 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(N2CCCCC2=O)CC1 ZINC000371995972 144349072 /nfs/dbraw/zinc/34/90/72/144349072.db2.gz SJYUMLLXCMUGPW-VXGBXAGGSA-N 0 1 295.339 0.655 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000269451389 278001074 /nfs/dbraw/zinc/00/10/74/278001074.db2.gz GJWGTJVSVWLIKV-ZETCQYMHSA-N 0 1 268.273 0.648 20 5 CCBDMN Cc1nc(N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000515852027 279091466 /nfs/dbraw/zinc/09/14/66/279091466.db2.gz MCGNRVVXYBILRK-SNVBAGLBSA-N 0 1 294.311 0.751 20 5 CCBDMN C[C@H](NCC(=O)N1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296532764 279459931 /nfs/dbraw/zinc/45/99/31/279459931.db2.gz DIGMBOXVCUSWKL-VIFPVBQESA-N 0 1 292.295 0.797 20 5 CCBDMN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H]1C[NH3+] ZINC000575749089 335111784 /nfs/dbraw/zinc/11/17/84/335111784.db2.gz UFDUQNGTNGPIJA-IUCAKERBSA-N 0 1 294.311 0.752 20 5 CCBDMN O=[N+]([O-])c1ccc(OCCN2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000576189400 335166931 /nfs/dbraw/zinc/16/69/31/335166931.db2.gz DMBNREKGYKDJMI-BXUZGUMPSA-N 0 1 296.323 0.649 20 5 CCBDMN CC[C@@H](O)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343849190 535810941 /nfs/dbraw/zinc/81/09/41/535810941.db2.gz XZGDBXBRNQLEIU-SSDOTTSWSA-N 0 1 256.262 0.599 20 5 CCBDMN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ncn[nH]1 ZINC000358462821 534360286 /nfs/dbraw/zinc/36/02/86/534360286.db2.gz ULCNCHAASFEIRY-UHFFFAOYSA-N 0 1 276.256 0.555 20 5 CCBDMN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1nc[nH]n1 ZINC000358462821 534360294 /nfs/dbraw/zinc/36/02/94/534360294.db2.gz ULCNCHAASFEIRY-UHFFFAOYSA-N 0 1 276.256 0.555 20 5 CCBDMN CC1(C)[C@H](O)C[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000594004167 545102836 /nfs/dbraw/zinc/10/28/36/545102836.db2.gz WOSDTKRTTIUBIL-NWDGAFQWSA-N 0 1 293.323 0.943 20 5 CCBDMN O=C([O-])[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000262290132 526320114 /nfs/dbraw/zinc/32/01/14/526320114.db2.gz NKPPIIDSTKYLSP-SECBINFHSA-N 0 1 268.273 0.730 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000365081162 526508986 /nfs/dbraw/zinc/50/89/86/526508986.db2.gz JBQIUQHAVXDXAM-UTUOFQBUSA-N 0 1 289.291 0.351 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCNC(=O)C1 ZINC000780465611 581229606 /nfs/dbraw/zinc/22/96/06/581229606.db2.gz LPQYKRQSUIOHQE-UHFFFAOYSA-N 0 1 279.252 0.263 20 5 CCBDMN O=C1NCC2(CCN(CCn3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000781995506 581284527 /nfs/dbraw/zinc/28/45/27/581284527.db2.gz VYVSSFYBDJIROB-UHFFFAOYSA-N 0 1 295.299 0.366 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H]3C[C@]3(CO)C2)c1[N+](=O)[O-] ZINC000783818610 581364790 /nfs/dbraw/zinc/36/47/90/581364790.db2.gz JDKOOXFMSPIREH-ISVAXAHUSA-N 0 1 294.311 0.896 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(F)(F)CC2)c1 ZINC000796542950 581443360 /nfs/dbraw/zinc/44/33/60/581443360.db2.gz NFECNHQWPZATNE-SNVBAGLBSA-N 0 1 290.270 0.883 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)OCCN1CCCCC1 ZINC000770407907 581741242 /nfs/dbraw/zinc/74/12/42/581741242.db2.gz PTDJMEBZARHKCZ-UHFFFAOYSA-N 0 1 282.300 0.971 20 5 CCBDMN CC1(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])OCCO1 ZINC000760109822 581842767 /nfs/dbraw/zinc/84/27/67/581842767.db2.gz PZCGIXOSTWTQOQ-UHFFFAOYSA-N 0 1 270.245 0.201 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C(=O)[O-] ZINC000828449297 601531608 /nfs/dbraw/zinc/53/16/08/601531608.db2.gz JWQMWFIQTHIZIC-BDAKNGLRSA-N 0 1 268.273 0.444 20 5 CCBDMN C[C@@]1(C(=O)[O-])CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000828035498 601891385 /nfs/dbraw/zinc/89/13/85/601891385.db2.gz QOGHCDYFXKEVKI-SNVBAGLBSA-N 0 1 254.246 0.545 20 5 CCBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000828035498 601891388 /nfs/dbraw/zinc/89/13/88/601891388.db2.gz QOGHCDYFXKEVKI-SNVBAGLBSA-N 0 1 254.246 0.545 20 5 CCBDMN CC(C)(CCC(=O)NC12CCN(CC1)C2)[N+](=O)[O-] ZINC000913635310 614081447 /nfs/dbraw/zinc/08/14/47/614081447.db2.gz ZKQSCDMMEODXDS-UHFFFAOYSA-N 0 1 255.318 0.786 20 5 CCBDMN CC(C)C(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946705712 613906203 /nfs/dbraw/zinc/90/62/03/613906203.db2.gz OTNFWQSXGNUASX-GHMZBOCLSA-N 0 1 283.328 0.415 20 5 CCBDMN CC(C)(C)N1CC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000897066395 613939776 /nfs/dbraw/zinc/93/97/76/613939776.db2.gz SHUJVUXJTOKTGX-NSHDSACASA-N 0 1 295.343 0.780 20 5 CCBDMN CC(C)(C)c1nnc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC000839800890 614051538 /nfs/dbraw/zinc/05/15/38/614051538.db2.gz YQYVXBIFPYCXMO-RNFRBKRXSA-N 0 1 267.289 0.384 20 5 CCBDMN CC(C)(C)c1nc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 ZINC000839800890 614051541 /nfs/dbraw/zinc/05/15/41/614051541.db2.gz YQYVXBIFPYCXMO-RNFRBKRXSA-N 0 1 267.289 0.384 20 5 CCBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])[C@]1(O)CCCOC1 ZINC000856141462 614105958 /nfs/dbraw/zinc/10/59/58/614105958.db2.gz APGMPFKFZUCHRP-BREBYQMCSA-N 0 1 286.328 0.336 20 5 CCBDMN CC(C)CNC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672541 614141495 /nfs/dbraw/zinc/14/14/95/614141495.db2.gz TWGLLWGMYKLYOT-IWSPIJDZSA-N 0 1 258.274 0.356 20 5 CCBDMN CC(C)COC(=O)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839715845 614160998 /nfs/dbraw/zinc/16/09/98/614160998.db2.gz IOUNJODPEKQMNT-DJLDLDEBSA-N 0 1 258.274 0.356 20 5 CCBDMN CC(=O)Nc1ccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839648898 614200466 /nfs/dbraw/zinc/20/04/66/614200466.db2.gz BXBWJUYSUVSJIY-CHWSQXEVSA-N 0 1 291.307 0.969 20 5 CCBDMN CC(C)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N(C)C ZINC000840671404 614262871 /nfs/dbraw/zinc/26/28/71/614262871.db2.gz UIUBLJDNEVSWKG-HLTSFMKQSA-N 0 1 258.274 0.308 20 5 CCBDMN CC(CO)(CO)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837600940 614379010 /nfs/dbraw/zinc/37/90/10/614379010.db2.gz WZVMFMNWPYQHLG-UHFFFAOYSA-N 0 1 285.252 0.335 20 5 CCBDMN CCCCNC(=O)[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929421014 614425876 /nfs/dbraw/zinc/42/58/76/614425876.db2.gz SSPYYDVMHZFDPP-LLVKDONJSA-N 0 1 257.334 0.891 20 5 CCBDMN CC1(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000979752317 614476295 /nfs/dbraw/zinc/47/62/95/614476295.db2.gz PCMUQDMYNAZABU-GWOFURMSSA-N 0 1 295.339 0.463 20 5 CCBDMN CCCC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000840670932 614478305 /nfs/dbraw/zinc/47/83/05/614478305.db2.gz YUQQXFKLAXHMKP-IWSPIJDZSA-N 0 1 259.258 0.927 20 5 CCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC(C)C)C1 ZINC000967949033 614651372 /nfs/dbraw/zinc/65/13/72/614651372.db2.gz CRIJFRVCGUXAMW-VXGBXAGGSA-N 0 1 297.355 0.757 20 5 CCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(C)(C)C)C1 ZINC000967951318 614651432 /nfs/dbraw/zinc/65/14/32/614651432.db2.gz RMNZAZQWZUQOJM-GHMZBOCLSA-N 0 1 297.355 0.757 20 5 CCBDMN CCCN1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000817460434 614803561 /nfs/dbraw/zinc/80/35/61/614803561.db2.gz WPAPLNOIRGXOSC-IVZWLZJFSA-N 0 1 269.301 0.026 20 5 CCBDMN CC1(C)O[C@@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2O1 ZINC000885192644 614842145 /nfs/dbraw/zinc/84/21/45/614842145.db2.gz WFQKDYLFKSUJBO-IGORNWKESA-N 0 1 270.285 0.450 20 5 CCBDMN CC1(C)[C@H]2[C@H](CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1O ZINC000869820285 614858072 /nfs/dbraw/zinc/85/80/72/614858072.db2.gz QLQVEWNQUWGCQB-LXUNUROVSA-N 0 1 268.313 0.660 20 5 CCBDMN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839611617 614870812 /nfs/dbraw/zinc/87/08/12/614870812.db2.gz XSSHRFVVLBSJHQ-GMTAPVOTSA-N 0 1 283.328 0.416 20 5 CCBDMN CCOC(=O)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000839702235 615181912 /nfs/dbraw/zinc/18/19/12/615181912.db2.gz WAQOQNBJEXCJEJ-RKDXNWHRSA-N 0 1 282.252 0.738 20 5 CCBDMN CCN1CC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000882485524 615243187 /nfs/dbraw/zinc/24/31/87/615243187.db2.gz UNZCXZXGBRQTDL-SNVBAGLBSA-N 0 1 281.316 0.392 20 5 CCBDMN CCOC(=O)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)C(C)=O ZINC000842370895 615284147 /nfs/dbraw/zinc/28/41/47/615284147.db2.gz ABQIASCAUXGZDF-ZQNVIIHSSA-N 0 1 287.268 0.352 20 5 CCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCOCC1 ZINC000839696028 615530294 /nfs/dbraw/zinc/53/02/94/615530294.db2.gz OJDRAIRUKVGNTF-GMTAPVOTSA-N 0 1 256.302 0.973 20 5 CCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(F)(F)F ZINC000839530395 616075190 /nfs/dbraw/zinc/07/51/90/616075190.db2.gz AFTCCNWPSJRKMO-HTQZYQBOSA-N 0 1 283.250 0.652 20 5 CCBDMN CN1C(=O)[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1=O ZINC000877719887 616159071 /nfs/dbraw/zinc/15/90/71/616159071.db2.gz FZQKUZXYCIUSCD-PHIMTYICSA-N 0 1 289.291 0.641 20 5 CCBDMN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000852495123 616162843 /nfs/dbraw/zinc/16/28/43/616162843.db2.gz HPVWXOQUVLJAIQ-UONOGXRCSA-N 0 1 296.323 0.975 20 5 CCBDMN CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])Cc2cccnc21 ZINC000872310637 616227732 /nfs/dbraw/zinc/22/77/32/616227732.db2.gz HMBYERNTXOGTHU-GHMZBOCLSA-N 0 1 276.296 0.525 20 5 CCBDMN CN1CC[C@@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)C1=O ZINC000847789859 616270892 /nfs/dbraw/zinc/27/08/92/616270892.db2.gz HSLIJAHNJYHZCJ-ZETCQYMHSA-N 0 1 267.241 0.558 20 5 CCBDMN CN1C[C@@H](O)C[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000924991962 616299871 /nfs/dbraw/zinc/29/98/71/616299871.db2.gz NYEDVVIQNOHUDP-OLZOCXBDSA-N 0 1 293.323 0.319 20 5 CCBDMN COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673487 616333658 /nfs/dbraw/zinc/33/36/58/616333658.db2.gz PPOFTRWXNIXHOL-XLPZGREQSA-N 0 1 287.268 0.352 20 5 CCBDMN COCCN1CC[C@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000892413614 616427568 /nfs/dbraw/zinc/42/75/68/616427568.db2.gz JBSIPBLRSZOVLF-VIFPVBQESA-N 0 1 269.305 0.461 20 5 CCBDMN CN1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])Cc2ccccc21 ZINC000824945002 616444599 /nfs/dbraw/zinc/44/45/99/616444599.db2.gz PKHLPXFDGCCVOH-NQBHXWOUSA-N 0 1 275.308 0.829 20 5 CCBDMN COC(=O)[C@H](CCSC)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842366808 616596181 /nfs/dbraw/zinc/59/61/81/616596181.db2.gz DWRQKRYBVXXCKN-PRJMDXOYSA-N 0 1 277.298 0.490 20 5 CCBDMN COC(=O)NC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000852769115 616859645 /nfs/dbraw/zinc/85/96/45/616859645.db2.gz ONGAPRVRKKCALW-UHFFFAOYSA-N 0 1 297.315 0.612 20 5 CCBDMN CCC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001010441166 624467873 /nfs/dbraw/zinc/46/78/73/624467873.db2.gz KIDGPQQFBBPLDO-GHMZBOCLSA-N 0 1 295.339 0.513 20 5 CCBDMN O=C(N[C@H]1Cc2ccccc2[C@@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000891089474 624719278 /nfs/dbraw/zinc/71/92/78/624719278.db2.gz LMWQFZPRMJONTL-KXNHARMFSA-N 0 1 262.265 0.426 20 5 CCBDMN O=[N+]([O-])CCNCCNc1nccc(C(F)(F)F)n1 ZINC000905136778 634807039 /nfs/dbraw/zinc/80/70/39/634807039.db2.gz QVJRZOGCVPTWJC-UHFFFAOYSA-N 0 1 279.222 0.774 20 5 CCBDMN Cn1ccc([C@H]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000928200111 631699368 /nfs/dbraw/zinc/69/93/68/631699368.db2.gz FSDXRINYVFQEHI-HOSYDEDBSA-N 0 1 278.312 0.791 20 5 CCBDMN NC(=O)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840672650 631702512 /nfs/dbraw/zinc/70/25/12/631702512.db2.gz NQBSMXODWDRICV-BBBLOLIVSA-N 0 1 264.237 0.421 20 5 CCBDMN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840672867 631709619 /nfs/dbraw/zinc/70/96/19/631709619.db2.gz XGHBNUMCSASDMR-UKKRHICBSA-N 0 1 284.312 0.699 20 5 CCBDMN O=C(OC[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673597 631715859 /nfs/dbraw/zinc/71/58/59/631715859.db2.gz UQUQDEODRGJDQV-DJLDLDEBSA-N 0 1 269.253 0.681 20 5 CCBDMN C[C@H]1[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CCN1C ZINC000928438801 631841730 /nfs/dbraw/zinc/84/17/30/631841730.db2.gz HKSVAUOSMAYLCY-YUMQZZPRSA-N 0 1 267.289 0.151 20 5 CCBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CN(C)CCN1C ZINC000900800070 634105012 /nfs/dbraw/zinc/10/50/12/634105012.db2.gz AXGGVGZJFOHOHY-ONGXEEELSA-N 0 1 295.343 0.287 20 5 CCBDMN O=C(NCc1ncc2c(n1)CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000909683752 635583299 /nfs/dbraw/zinc/58/32/99/635583299.db2.gz VWOZZXKMILRRPM-PSASIEDQSA-N 0 1 262.269 0.247 20 5 CCBDMN CCC(C)(CC)C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991290799 635854347 /nfs/dbraw/zinc/85/43/47/635854347.db2.gz OWOMJPZKOKLEPY-GHMZBOCLSA-N 0 1 297.355 0.805 20 5 CCBDMN O=C(NC1CN(C(=O)C2CC3(CC3)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991297747 635873322 /nfs/dbraw/zinc/87/33/22/635873322.db2.gz VXQTXFMVLLVUNM-GHMZBOCLSA-N 0 1 293.323 0.169 20 5 CCBDMN Cc1ccc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839564908 640343717 /nfs/dbraw/zinc/34/37/17/640343717.db2.gz ZLWOKBMPVUMWIT-VXGBXAGGSA-N 0 1 291.307 0.506 20 5 CCBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000839702889 640349237 /nfs/dbraw/zinc/34/92/37/640349237.db2.gz CJZNULZGZQCJSB-QCNOEVLYSA-N 0 1 278.312 0.958 20 5 CCBDMN O=C(Nc1ccc2c(c1)C(=O)NCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839686355 640349940 /nfs/dbraw/zinc/34/99/40/640349940.db2.gz MYUARNNLSSDYDL-GHMZBOCLSA-N 0 1 275.264 0.576 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H](C(F)(F)F)C1 ZINC000839687922 640350031 /nfs/dbraw/zinc/35/00/31/640350031.db2.gz ILGBSZVGVUYNKO-QYNIQEEDSA-N 0 1 268.191 0.441 20 5 CCBDMN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000839713276 640356708 /nfs/dbraw/zinc/35/67/08/640356708.db2.gz RZPIOTMURJAQSU-ILAIQSSSSA-N 0 1 266.297 0.725 20 5 CCBDMN O=C(NC[C@@]1(O)CCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839713166 640356860 /nfs/dbraw/zinc/35/68/60/640356860.db2.gz OKATUOUPFCYDER-QKCSRTOESA-N 0 1 276.292 0.602 20 5 CCBDMN O=C(N[C@H]1CCCC[C@@H]1N1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839706971 640356937 /nfs/dbraw/zinc/35/69/37/640356937.db2.gz XZYLLCOHESPATQ-MROQNXINSA-N 0 1 297.355 0.411 20 5 CCBDMN Cc1ccsc1[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839725419 640358539 /nfs/dbraw/zinc/35/85/39/640358539.db2.gz QSGKEHHARAJVKN-IWSPIJDZSA-N 0 1 270.310 0.871 20 5 CCBDMN C[C@H](CCO)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839721866 640358386 /nfs/dbraw/zinc/35/83/86/640358386.db2.gz UNYOQBCCYGJXQB-GMTAPVOTSA-N 0 1 270.329 0.957 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000839762350 640359866 /nfs/dbraw/zinc/35/98/66/640359866.db2.gz VKIFSMDXKKTLNA-DBIOUOCHSA-N 0 1 254.286 0.822 20 5 CCBDMN COc1ncccc1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839774158 640363036 /nfs/dbraw/zinc/36/30/36/640363036.db2.gz MBIFFESYTLHSSV-NXEZZACHSA-N 0 1 265.269 0.414 20 5 CCBDMN O=[N+]([O-])c1ccc(Cn2cnc(-c3nn[nH]n3)n2)c(F)c1 ZINC000823640066 641780103 /nfs/dbraw/zinc/78/01/03/641780103.db2.gz QWQTTZQCJRDFKT-UHFFFAOYSA-N 0 1 290.218 0.554 20 5 CCBDMN O=C(NC[C@@H]1CC(=O)c2ccccc2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000826056590 641917528 /nfs/dbraw/zinc/91/75/28/641917528.db2.gz HQIHVEKTUXQAQP-JMJZKYOTSA-N 0 1 290.275 0.802 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000827136052 641984268 /nfs/dbraw/zinc/98/42/68/641984268.db2.gz LIPDMRWVGFUKIL-SNVBAGLBSA-N 0 1 281.316 0.310 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2CC(F)(F)C[C@H]2C1 ZINC000843917263 643127962 /nfs/dbraw/zinc/12/79/62/643127962.db2.gz QIZVHIPKBCZCGA-DJLDLDEBSA-N 0 1 275.255 0.203 20 5 CCBDMN C[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000853217477 644091300 /nfs/dbraw/zinc/09/13/00/644091300.db2.gz FCMALKFAALRWEG-LURJTMIESA-N 0 1 266.217 0.214 20 5 CCBDMN Cc1noc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000853922356 644159913 /nfs/dbraw/zinc/15/99/13/644159913.db2.gz ZNZVLRGGCFYOMM-PHDIDXHHSA-N 0 1 271.185 0.600 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1cn[nH]c1 ZINC000854834759 644264642 /nfs/dbraw/zinc/26/46/42/644264642.db2.gz QJEPCUXQDFDWRK-OPRDCNLKSA-N 0 1 250.258 0.738 20 5 CCBDMN C[C@H](O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000856432145 644418451 /nfs/dbraw/zinc/41/84/51/644418451.db2.gz WZBBQDLZKTZGGB-GMNPVEAJSA-N 0 1 264.281 0.890 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C=CCC2)n1 ZINC000859219590 644676479 /nfs/dbraw/zinc/67/64/79/644676479.db2.gz CCQFEKJZBQXRBW-SSDOTTSWSA-N 0 1 272.286 0.325 20 5 CCBDMN O=C(NCCN1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1F ZINC000863318918 645078825 /nfs/dbraw/zinc/07/88/25/645078825.db2.gz AEROBDJVZKFRMP-SNVBAGLBSA-N 0 1 297.286 0.530 20 5 CCBDMN C[C@@H](O)CN1CCN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886144747 647907333 /nfs/dbraw/zinc/90/73/33/647907333.db2.gz GONORTKVVUNNTR-NWDGAFQWSA-N 0 1 294.355 0.877 20 5 CCBDMN Cc1nnc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000936024432 649279157 /nfs/dbraw/zinc/27/91/57/649279157.db2.gz KYJRLXPMDNUMTB-RNFRBKRXSA-N 0 1 256.287 0.170 20 5 CCBDMN O=[N+]([O-])CCNCCCS(=O)(=O)Cc1ccccc1 ZINC001120573878 798872372 /nfs/dbraw/zinc/87/23/72/798872372.db2.gz UASVYSQFHPOTPQ-UHFFFAOYSA-N 0 1 286.353 0.858 20 5 CCBDMN CC(=O)N1CCC[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001122722937 799289786 /nfs/dbraw/zinc/28/97/86/799289786.db2.gz GABANOOAPLJUFA-HBNTYKKESA-N 0 1 270.285 0.453 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2nnc[nH]2)n1 ZINC001139180419 799791333 /nfs/dbraw/zinc/79/13/33/799791333.db2.gz USBSQEKWUXDTLU-UHFFFAOYSA-N 0 1 279.260 0.202 20 5 CCBDMN NCc1nnnn1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001158074479 801560602 /nfs/dbraw/zinc/56/06/02/801560602.db2.gz CLQFEWOOLCZDJF-UHFFFAOYSA-N 0 1 290.070 0.731 20 5 CCBDMN CCOC(=O)c1c(CN)ncn1-c1cnc([N+](=O)[O-])cn1 ZINC001162536666 802359907 /nfs/dbraw/zinc/35/99/07/802359907.db2.gz CBUQRQTVCDKZTO-UHFFFAOYSA-N 0 1 292.255 0.206 20 5 CCBDMN Cc1nnc(CN)n1-c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001163348709 802542146 /nfs/dbraw/zinc/54/21/46/802542146.db2.gz OPTAMMXZGDMIQG-UHFFFAOYSA-N 0 1 285.267 0.886 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2cccnc2[N+](=O)[O-])S1 ZINC001163667302 802588598 /nfs/dbraw/zinc/58/85/98/802588598.db2.gz RCDRJGRXRLNKMK-ZETCQYMHSA-N 0 1 254.227 0.711 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2cc([N+](=O)[O-])c3nncn3c2)S1 ZINC001163672772 802589199 /nfs/dbraw/zinc/58/91/99/802589199.db2.gz QQLJZTXNNPCJPP-QMMMGPOBSA-N 0 1 294.252 0.359 20 5 CCBDMN CN(C)C1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001163940389 802638026 /nfs/dbraw/zinc/63/80/26/802638026.db2.gz IHDMEZNAMWQKFK-UHFFFAOYSA-N 0 1 272.692 0.632 20 5 CCBDMN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC(N(C)C)C2)n1 ZINC001163942769 802638365 /nfs/dbraw/zinc/63/83/65/802638365.db2.gz OJGBTCALRSLUJB-UHFFFAOYSA-N 0 1 294.315 0.402 20 5 CCBDMN Cc1nc(N2CC[C@H](N)C(F)(F)C2)ncc1[N+](=O)[O-] ZINC001166960071 802995511 /nfs/dbraw/zinc/99/55/11/802995511.db2.gz GTBCVUVBOLNSRP-QMMMGPOBSA-N 0 1 273.243 0.866 20 5 CCBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](OCc1nn[nH]n1)C2 ZINC001223030238 804949325 /nfs/dbraw/zinc/94/93/25/804949325.db2.gz UWQUEHWJNLVGSH-SNVBAGLBSA-N 0 1 261.241 0.792 20 5 CCBDMN CO[C@@H]1CCN(CCOc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229456419 805535883 /nfs/dbraw/zinc/53/58/83/805535883.db2.gz UEAFIFYGKLOVMA-SNVBAGLBSA-N 0 1 283.284 0.328 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCN1CC=CC1 ZINC001261579717 809024788 /nfs/dbraw/zinc/02/47/88/809024788.db2.gz WNIDQUBSCHCUHZ-UHFFFAOYSA-N 0 1 298.324 0.140 20 5 CCBDMN CN1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000687598523 812629510 /nfs/dbraw/zinc/62/95/10/812629510.db2.gz OXCQPGFOBCEJPZ-CQSZACIVSA-N 0 1 279.340 0.746 20 5 CCBDMN C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])O2)CO1 ZINC000894619422 813874071 /nfs/dbraw/zinc/87/40/71/813874071.db2.gz OYWXJUSOGATSRV-TUTUZKQUSA-N 0 1 284.312 0.494 20 5 CCBDMN C[C@@H]1C[C@]2(CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])O2)CO1 ZINC000894619424 813874207 /nfs/dbraw/zinc/87/42/07/813874207.db2.gz OYWXJUSOGATSRV-VDWIVTDKSA-N 0 1 284.312 0.494 20 5 CCBDMN CCn1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1=O ZINC001270990007 814109611 /nfs/dbraw/zinc/10/96/11/814109611.db2.gz PLNWYVPCPDBNCK-NXEZZACHSA-N 0 1 265.269 0.150 20 5 CCBDMN CN1CC[C@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227109314 814280909 /nfs/dbraw/zinc/28/09/09/814280909.db2.gz WKRGJRAEIJTTQY-QMMMGPOBSA-N 0 1 268.229 0.981 20 5 CCBDMN O=C(NC1CN(CCc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292329 815961366 /nfs/dbraw/zinc/96/13/66/815961366.db2.gz DADXGHKOAKEKQX-ZIAGYGMSSA-N 0 1 289.335 0.695 20 5 CCBDMN O=C(NCC1CN(C/C=C/Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031660623 817226831 /nfs/dbraw/zinc/22/68/31/817226831.db2.gz MROADAQCYDDYBI-UFLMBTITSA-N 0 1 273.720 0.452 20 5 CCBDMN Cn1nccc1[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC001129067188 819398389 /nfs/dbraw/zinc/39/83/89/819398389.db2.gz AZNXGOZLJMHRAX-IQIPOGNMSA-N 0 1 294.311 0.422 20 5 CCBDMN CC(C)(C)C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001064476483 820203330 /nfs/dbraw/zinc/20/33/30/820203330.db2.gz HNXSWMYJWDXBON-NXEZZACHSA-N 0 1 297.355 0.853 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=O)C[C@@H]1C1CC1 ZINC000828270002 821756040 /nfs/dbraw/zinc/75/60/40/821756040.db2.gz XSPUEPRLBSVUPH-GMTAPVOTSA-N 0 1 252.270 0.622 20 5 CCBDMN NCc1nnnn1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001158074954 837915151 /nfs/dbraw/zinc/91/51/51/837915151.db2.gz OEZZOFGXEJJYLK-UHFFFAOYSA-N 0 1 255.625 0.078 20 5 CCBDMN NCc1nnnn1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001168919903 836050541 /nfs/dbraw/zinc/05/05/41/836050541.db2.gz BCCQQAPXJZPLBW-UHFFFAOYSA-N 0 1 259.229 0.511 20 5 CCBDMN CN1CC(CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001170249823 837284919 /nfs/dbraw/zinc/28/49/19/837284919.db2.gz NSSMDGKXBVORNL-UHFFFAOYSA-N 0 1 265.273 0.062 20 5 CCBDMN CC[C@@](N)(CO)Nc1cnc([N+](=O)[O-])c(OC)c1 ZINC001170863022 839456536 /nfs/dbraw/zinc/45/65/36/839456536.db2.gz LEGZHURKXIKMGS-JTQLQIEISA-N 0 1 256.262 0.468 20 5 CCBDMN Cc1cc(NCCNC(=O)c2ncn[nH]2)ccc1[N+](=O)[O-] ZINC001093793363 841459548 /nfs/dbraw/zinc/45/95/48/841459548.db2.gz OYIDCVGAQPTGDN-UHFFFAOYSA-N 0 1 290.283 0.863 20 5 CCBDMN Cc1cc(NCCNC(=O)c2nc[nH]n2)ccc1[N+](=O)[O-] ZINC001093793363 841459560 /nfs/dbraw/zinc/45/95/60/841459560.db2.gz OYIDCVGAQPTGDN-UHFFFAOYSA-N 0 1 290.283 0.863 20 5 CCBDMN CC[N@@H+]1CC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001175836964 842284162 /nfs/dbraw/zinc/28/41/62/842284162.db2.gz FKOGRKLLRHKHFE-VIFPVBQESA-N 0 1 280.284 0.519 20 5 CCBDMN CC[N@H+]1CC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001175836964 842284171 /nfs/dbraw/zinc/28/41/71/842284171.db2.gz FKOGRKLLRHKHFE-VIFPVBQESA-N 0 1 280.284 0.519 20 5 CCBDMN C[C@H]1COC[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001195166295 846476166 /nfs/dbraw/zinc/47/61/66/846476166.db2.gz UJTXBZIGUZIJHG-JGVFFNPUSA-N 0 1 287.297 0.303 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cncs2)C1 ZINC001042710715 850740147 /nfs/dbraw/zinc/74/01/47/850740147.db2.gz GRZRUSPIBULRJN-GHMZBOCLSA-N 0 1 296.352 0.451 20 5 CCBDMN Cc1nocc1CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042705407 850740661 /nfs/dbraw/zinc/74/06/61/850740661.db2.gz PDFBASMDCXSCJK-VXGBXAGGSA-N 0 1 294.311 0.291 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(=O)[O-] ZINC001118951559 856506137 /nfs/dbraw/zinc/50/61/37/856506137.db2.gz GQQWKNWCDXWAFU-KOLCDFICSA-N 0 1 282.300 0.834 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)c1nnc[nH]1 ZINC001323345773 912286114 /nfs/dbraw/zinc/28/61/14/912286114.db2.gz MKCIXTBUXFONOL-LURJTMIESA-N 0 1 279.260 0.095 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC001323554586 912411425 /nfs/dbraw/zinc/41/14/25/912411425.db2.gz GRTSAYUEPANPQO-LURJTMIESA-N 0 1 291.271 0.347 20 5 CCBDMN O=C(NCCc1ccc(=O)[nH]c1)c1n[nH]cc1[N+](=O)[O-] ZINC001327868233 914823276 /nfs/dbraw/zinc/82/32/76/914823276.db2.gz JKQGPZSCQZHEGJ-UHFFFAOYSA-N 0 1 277.240 0.391 20 5 CCBDMN O=C(NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1)C1CCC1 ZINC001284721216 905422743 /nfs/dbraw/zinc/42/27/43/905422743.db2.gz JYNAJQVLHWBYSE-VXGBXAGGSA-N 0 1 295.339 0.559 20 5 CCBDMN NC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001337792969 921294049 /nfs/dbraw/zinc/29/40/49/921294049.db2.gz UHMXQEKGVUMMSQ-BBBLOLIVSA-N 0 1 297.698 0.648 20 5 CCBDMN O=C(NC[C@H](O)c1cnc[nH]1)c1ccc([N+](=O)[O-])[nH]1 ZINC001303581472 908100725 /nfs/dbraw/zinc/10/07/25/908100725.db2.gz VQSLCTIHFDPERG-QMMMGPOBSA-N 0 1 265.229 0.109 20 5 CCBDMN CCN1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001338208074 921398121 /nfs/dbraw/zinc/39/81/21/921398121.db2.gz DIKYEIFLCYEREH-SECBINFHSA-N 0 1 268.321 0.295 20 5 CCBDMN Cn1c(C[N+](=O)[O-])nnc1N1CCN(C2CCC2)CC1 ZINC001338206741 921399306 /nfs/dbraw/zinc/39/93/06/921399306.db2.gz WPNATRQXNLXHFF-UHFFFAOYSA-N 0 1 280.332 0.266 20 5 CCBDMN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCN(CC)CC1 ZINC001339342383 921702243 /nfs/dbraw/zinc/70/22/43/921702243.db2.gz XHUKIHODEWBMFL-JTQLQIEISA-N 0 1 282.348 0.778 20 5 CCBDMN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCN(CC)CC1 ZINC001339342385 921704131 /nfs/dbraw/zinc/70/41/31/921704131.db2.gz XHUKIHODEWBMFL-SNVBAGLBSA-N 0 1 282.348 0.778 20 5 CCBDMN C[NH+](C)CCO[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001328309881 915095990 /nfs/dbraw/zinc/09/59/90/915095990.db2.gz PZBOAQAYAHBDJQ-UHFFFAOYSA-N 0 1 267.285 0.747 20 5 CCBDMN O=C(N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)[C@@H]1CC1[N+](=O)[O-] ZINC001329992009 916344032 /nfs/dbraw/zinc/34/40/32/916344032.db2.gz AQEYBDJXGHWGRF-ZTYWJBQRSA-N 0 1 252.270 0.191 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CF)n1 ZINC001331339252 917275199 /nfs/dbraw/zinc/27/51/99/917275199.db2.gz ILKMKAMVFBWQMH-UHFFFAOYSA-N 0 1 280.281 0.355 20 5 CCBDMN Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2CC[N+](=O)[O-])cn1 ZINC001332698753 918391807 /nfs/dbraw/zinc/39/18/07/918391807.db2.gz QRRMACNYMJDUPB-VXGBXAGGSA-N 0 1 268.317 0.585 20 5 CCBDMN Cn1cc([C@H](O)C[C@H]2CCCN2CC[N+](=O)[O-])cn1 ZINC001332698753 918391826 /nfs/dbraw/zinc/39/18/26/918391826.db2.gz QRRMACNYMJDUPB-VXGBXAGGSA-N 0 1 268.317 0.585 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)OCCN1CCC1 ZINC001349400555 924949066 /nfs/dbraw/zinc/94/90/66/924949066.db2.gz HDSDMEHVYNHEJE-UHFFFAOYSA-N 0 1 268.273 0.349 20 5 CCBDMN CCCCC(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001349714928 925031335 /nfs/dbraw/zinc/03/13/35/925031335.db2.gz IGWNWQSCIXJWLS-NXEZZACHSA-N 0 1 271.317 0.464 20 5 CCBDMN Cc1nn(C)c(C(=O)NC[C@H]2CCCCN2C)c1[N+](=O)[O-] ZINC001353890963 925958321 /nfs/dbraw/zinc/95/83/21/925958321.db2.gz BBSQJQJGUQAREH-SNVBAGLBSA-N 0 1 295.343 0.851 20 5 CCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001355592484 926290091 /nfs/dbraw/zinc/29/00/91/926290091.db2.gz WSJGBCPJNODYFB-VXGBXAGGSA-N 0 1 291.307 0.540 20 5 CCBDMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC001602821385 971626842 /nfs/dbraw/zinc/62/68/42/971626842.db2.gz BGEBDHYGCQGCAW-ZETCQYMHSA-N 0 1 268.273 0.766 20 5 CCBDMN C[N@@H+](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])CC(=O)[O-] ZINC001598493039 992329715 /nfs/dbraw/zinc/32/97/15/992329715.db2.gz ZDUDDDLKWQVXLP-UHFFFAOYSA-N 0 1 299.258 0.480 20 5 CCBDMN O=C(NCCN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000600552319 362009323 /nfs/dbraw/zinc/00/93/23/362009323.db2.gz RLKGBBOQWNWISQ-GFCCVEGCSA-N 0 1 279.296 0.391 20 5 CCBDMN COc1ccc(CN[C@@H]2COCC[C@H]2O)cc1[N+](=O)[O-] ZINC000601158919 362162486 /nfs/dbraw/zinc/16/24/86/362162486.db2.gz GKCKLJTXJUEBTR-ZYHUDNBSSA-N 0 1 282.296 0.843 20 5 CCBDMN C[C@@H](O)[C@@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602589131 362695383 /nfs/dbraw/zinc/69/53/83/362695383.db2.gz CUNHOXCISGKISG-NXEZZACHSA-N 0 1 268.317 0.921 20 5 CCBDMN C[C@H](O)[C@@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602589134 362696051 /nfs/dbraw/zinc/69/60/51/362696051.db2.gz CUNHOXCISGKISG-VHSXEESVSA-N 0 1 268.317 0.921 20 5 CCBDMN CN(Cc1cnc[nH]1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602705375 362759912 /nfs/dbraw/zinc/75/99/12/362759912.db2.gz KWQXFGLRJFHSOX-UHFFFAOYSA-N 0 1 250.262 0.683 20 5 CCBDMN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])[C@H](C)CN1C ZINC000602796307 362804862 /nfs/dbraw/zinc/80/48/62/362804862.db2.gz FFMYKOVBFDJSPJ-NXEZZACHSA-N 0 1 267.333 0.853 20 5 CCBDMN C[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1CO ZINC000602818672 362817521 /nfs/dbraw/zinc/81/75/21/362817521.db2.gz WLCHWJCAHICADH-WCBMZHEXSA-N 0 1 254.290 0.531 20 5 CCBDMN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])[C@H](C)CN1CCO ZINC000602848117 362835858 /nfs/dbraw/zinc/83/58/58/362835858.db2.gz ZCRLUDNAZMGYQL-GHMZBOCLSA-N 0 1 297.359 0.215 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H](C)N1 ZINC000262189833 137030153 /nfs/dbraw/zinc/03/01/53/137030153.db2.gz LYDMZPPPOALVTE-DTORHVGOSA-N 0 1 278.312 0.999 20 5 CCBDMN O=C(NCc1nnc2ccccn21)c1n[nH]cc1[N+](=O)[O-] ZINC000343091068 137114704 /nfs/dbraw/zinc/11/47/04/137114704.db2.gz ABKXWFSFEGIJMA-UHFFFAOYSA-N 0 1 287.239 0.291 20 5 CCBDMN O=C(N[C@@H](CO)[C@@H]1CCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000344849281 137216985 /nfs/dbraw/zinc/21/69/85/137216985.db2.gz IBQRGTVEXNVKEZ-RYUDHWBXSA-N 0 1 296.279 0.570 20 5 CCBDMN CC[C@H](C[C@H](C)CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345053838 137231281 /nfs/dbraw/zinc/23/12/81/137231281.db2.gz HHSAOYSWZCQHBJ-JGVFFNPUSA-N 0 1 270.289 0.845 20 5 CCBDMN O=C(NO[C@H]1CCCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000128771149 187388992 /nfs/dbraw/zinc/38/89/92/187388992.db2.gz QPHJDHJFHBJRDX-ZETCQYMHSA-N 0 1 256.218 0.506 20 5 CCBDMN Cc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000044990890 348331750 /nfs/dbraw/zinc/33/17/50/348331750.db2.gz JJQNGMWFANHYAR-SNVBAGLBSA-N 0 1 281.272 0.238 20 5 CCBDMN NC(=O)c1ccc(CN2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000049933667 348461903 /nfs/dbraw/zinc/46/19/03/348461903.db2.gz IFSQWGUZQXYRTF-JTQLQIEISA-N 0 1 293.323 0.898 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(CC2CC2)CC1 ZINC000055673805 348580003 /nfs/dbraw/zinc/58/00/03/348580003.db2.gz MDPGWNKFKSPLRY-UHFFFAOYSA-N 0 1 293.327 0.346 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nnc[nH]1 ZINC000078006992 349126947 /nfs/dbraw/zinc/12/69/47/349126947.db2.gz SNKJYHYVGBNVNH-UHFFFAOYSA-N 0 1 291.267 0.994 20 5 CCBDMN CC(C)(C)N(CCn1cc([N+](=O)[O-])ccc1=O)CC(N)=O ZINC000090552804 180002602 /nfs/dbraw/zinc/00/26/02/180002602.db2.gz MLORUJQLYZLBNX-UHFFFAOYSA-N 0 1 296.327 0.342 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000125952382 350134910 /nfs/dbraw/zinc/13/49/10/350134910.db2.gz UGGURIDKRAXNFT-UHFFFAOYSA-N 0 1 287.239 0.852 20 5 CCBDMN O=C(C[C@H]1COCCN1)NCc1cccc([N+](=O)[O-])c1 ZINC000130468486 350238693 /nfs/dbraw/zinc/23/86/93/350238693.db2.gz NBTMDKAANGHVAH-NSHDSACASA-N 0 1 279.296 0.590 20 5 CCBDMN C[C@H](CCN1CCOCC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000157330744 350643229 /nfs/dbraw/zinc/64/32/29/350643229.db2.gz FHHXNCYXYWTJIR-SECBINFHSA-N 0 1 297.315 0.159 20 5 CCBDMN C[NH+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000170859675 350868536 /nfs/dbraw/zinc/86/85/36/350868536.db2.gz OMEGQADAPWIKPU-QMMMGPOBSA-N 0 1 280.284 0.472 20 5 CCBDMN CCCN(CCn1cc([N+](=O)[O-])cn1)CC(=O)N(C)C ZINC000174831344 351105972 /nfs/dbraw/zinc/10/59/72/351105972.db2.gz PYZPKSPYAVBKQR-UHFFFAOYSA-N 0 1 283.332 0.592 20 5 CCBDMN CO[C@](C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000291445621 198023964 /nfs/dbraw/zinc/02/39/64/198023964.db2.gz KSTSGPYYYNBUJX-LLVKDONJSA-N 0 1 268.273 0.863 20 5 CCBDMN Cc1nn(C)c(C(=O)N2CCN[C@H](C)C2)c1[N+](=O)[O-] ZINC000188386232 351591727 /nfs/dbraw/zinc/59/17/27/351591727.db2.gz KUIWHSJCQKQFFS-SSDOTTSWSA-N 0 1 267.289 0.071 20 5 CCBDMN O=C(NCCOCCO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000192698871 351794853 /nfs/dbraw/zinc/79/48/53/351794853.db2.gz JMVXBWRSAAOEQT-UHFFFAOYSA-N 0 1 294.267 0.210 20 5 CCBDMN Cc1ccc(C(=O)NC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000235851196 352189424 /nfs/dbraw/zinc/18/94/24/352189424.db2.gz FVCDPGBVTCUPFA-NSHDSACASA-N 0 1 279.296 0.621 20 5 CCBDMN Cc1nc(CCNc2c([N+](=O)[O-])c(C)nn2C)n[nH]1 ZINC000267528523 352772280 /nfs/dbraw/zinc/77/22/80/352772280.db2.gz UMTMDAKLNQZARH-UHFFFAOYSA-N 0 1 265.277 0.718 20 5 CCBDMN Cc1nnc(CCNc2c([N+](=O)[O-])c(C)nn2C)[nH]1 ZINC000267528523 352772285 /nfs/dbraw/zinc/77/22/85/352772285.db2.gz UMTMDAKLNQZARH-UHFFFAOYSA-N 0 1 265.277 0.718 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000270548016 352946721 /nfs/dbraw/zinc/94/67/21/352946721.db2.gz IMENYPRRPJHDIB-APPZFPTMSA-N 0 1 282.300 0.723 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CC(=O)OC)c1[N+](=O)[O-] ZINC000271033233 353015695 /nfs/dbraw/zinc/01/56/95/353015695.db2.gz DTKMROXABZDWRY-UHFFFAOYSA-N 0 1 270.245 0.125 20 5 CCBDMN COC(=O)[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272492300 353068250 /nfs/dbraw/zinc/06/82/50/353068250.db2.gz CHXAJJGHPGRHAT-MRVPVSSYSA-N 0 1 294.263 0.936 20 5 CCBDMN Cc1n[nH]c(C(=O)N[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000604547314 363203116 /nfs/dbraw/zinc/20/31/16/363203116.db2.gz FBIOJQDQDSMKHN-MRVPVSSYSA-N 0 1 279.300 0.593 20 5 CCBDMN COC(=O)C1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000274829831 353165431 /nfs/dbraw/zinc/16/54/31/353165431.db2.gz ROGDWFAHKOYQBN-UHFFFAOYSA-N 0 1 280.236 0.736 20 5 CCBDMN C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN1 ZINC000155124545 188184904 /nfs/dbraw/zinc/18/49/04/188184904.db2.gz VZUDKQTWJQCXOS-LLVKDONJSA-N 0 1 292.339 0.851 20 5 CCBDMN COC[C@H](O)CNCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000282764295 353450424 /nfs/dbraw/zinc/45/04/24/353450424.db2.gz WEYXDNCFNNIVAL-SECBINFHSA-N 0 1 286.284 0.406 20 5 CCBDMN CCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1=O ZINC000282506452 353429777 /nfs/dbraw/zinc/42/97/77/353429777.db2.gz XBPXLYCXVSAYKH-JTQLQIEISA-N 0 1 267.289 0.002 20 5 CCBDMN O=C(NCCN1CC=CCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286113052 353562670 /nfs/dbraw/zinc/56/26/70/353562670.db2.gz XIGUUMLRRKJYJJ-UHFFFAOYSA-N 0 1 265.273 0.310 20 5 CCBDMN O=c1nc([C@H]2CCCN(c3ncc([N+](=O)[O-])cn3)C2)[nH][nH]1 ZINC000286134328 353564451 /nfs/dbraw/zinc/56/44/51/353564451.db2.gz APZQRVSENGDPAM-ZETCQYMHSA-N 0 1 291.271 0.180 20 5 CCBDMN Cc1nc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)n[nH]1 ZINC000286222151 353570100 /nfs/dbraw/zinc/57/01/00/353570100.db2.gz BXDJFXZMKDENRJ-RXMQYKEDSA-N 0 1 291.271 0.688 20 5 CCBDMN Cc1nc([C@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)n[nH]1 ZINC000286222157 353570319 /nfs/dbraw/zinc/57/03/19/353570319.db2.gz BXDJFXZMKDENRJ-YFKPBYRVSA-N 0 1 291.271 0.688 20 5 CCBDMN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000293371278 353806739 /nfs/dbraw/zinc/80/67/39/353806739.db2.gz JEGIJKXGPWXACM-VIFPVBQESA-N 0 1 281.312 0.896 20 5 CCBDMN Cc1nn(C)c(NC[C@H](C)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000301219760 354073060 /nfs/dbraw/zinc/07/30/60/354073060.db2.gz AFCAVHIBGLWGQA-JTQLQIEISA-N 0 1 296.375 0.685 20 5 CCBDMN C[C@@]1(CO)CCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000305696481 354151380 /nfs/dbraw/zinc/15/13/80/354151380.db2.gz CBKYGZIIXXRCHP-KCJUWKMLSA-N 0 1 268.273 0.599 20 5 CCBDMN C[C@@H]1N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1(C)C ZINC000331056517 354432056 /nfs/dbraw/zinc/43/20/56/354432056.db2.gz PYGKJCXNONHITK-CMPLNLGQSA-N 0 1 298.343 0.652 20 5 CCBDMN O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000331485928 354588576 /nfs/dbraw/zinc/58/85/76/354588576.db2.gz KBDDXTZPULJKOL-MRVPVSSYSA-N 0 1 292.295 0.662 20 5 CCBDMN O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000331485928 354588578 /nfs/dbraw/zinc/58/85/78/354588578.db2.gz KBDDXTZPULJKOL-MRVPVSSYSA-N 0 1 292.295 0.662 20 5 CCBDMN COC[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000332623905 354706751 /nfs/dbraw/zinc/70/67/51/354706751.db2.gz GVWJLPMUQZNMPW-QMMMGPOBSA-N 0 1 268.273 0.735 20 5 CCBDMN CC[C@@]1(O)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000332662240 354715032 /nfs/dbraw/zinc/71/50/32/354715032.db2.gz OEXVNMFUQSCPQE-LLVKDONJSA-N 0 1 268.273 0.613 20 5 CCBDMN COC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000558058357 291049320 /nfs/dbraw/zinc/04/93/20/291049320.db2.gz ZCYYOEFNBKKOND-LBPRGKRZSA-N 0 1 296.327 0.119 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CC[C@H](c3nnc[nH]3)C2)n1 ZINC000425549871 235306825 /nfs/dbraw/zinc/30/68/25/235306825.db2.gz OMGSBMOYBQSTID-VIFPVBQESA-N 0 1 277.288 0.399 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CCc2[nH]nnc2C1 ZINC000359740863 137962903 /nfs/dbraw/zinc/96/29/03/137962903.db2.gz ARGNAWONOZWAJE-UHFFFAOYSA-N 0 1 263.213 0.504 20 5 CCBDMN CN(C)CC(=O)N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000608778815 363461681 /nfs/dbraw/zinc/46/16/81/363461681.db2.gz LTYFEKDTNJRRKV-UHFFFAOYSA-N 0 1 298.368 0.867 20 5 CCBDMN CNC(=O)Cn1cc(Nc2ncc([N+](=O)[O-])cn2)cn1 ZINC000354530225 356433411 /nfs/dbraw/zinc/43/34/11/356433411.db2.gz WKJNNURSNSEXHP-UHFFFAOYSA-N 0 1 277.244 0.071 20 5 CCBDMN COCCN1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000273676500 192258058 /nfs/dbraw/zinc/25/80/58/192258058.db2.gz YIZJPALMORMXIC-VIFPVBQESA-N 0 1 267.289 0.517 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN1CCN(C2CCC2)CC1 ZINC000610476417 363563201 /nfs/dbraw/zinc/56/32/01/363563201.db2.gz YBSJGMQSBUEUGP-UHFFFAOYSA-N 0 1 279.344 0.998 20 5 CCBDMN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000408073594 357904218 /nfs/dbraw/zinc/90/42/18/357904218.db2.gz XDURLBREWCDBRS-UHFFFAOYSA-N 0 1 267.289 0.486 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c1[N+](=O)[O-] ZINC000408190205 357960157 /nfs/dbraw/zinc/96/01/57/357960157.db2.gz UKUNYMHVXFZWLT-NRPADANISA-N 0 1 294.311 0.723 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](O)C[C@H]2C)c1[N+](=O)[O-] ZINC000408291936 358014086 /nfs/dbraw/zinc/01/40/86/358014086.db2.gz AUBZHQBORGJYJR-IYSWYEEDSA-N 0 1 254.246 0.222 20 5 CCBDMN COC[C@@](C)(O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000452339797 236233347 /nfs/dbraw/zinc/23/33/47/236233347.db2.gz GMIGIRFDHGGXOT-ZDUSSCGKSA-N 0 1 298.295 0.818 20 5 CCBDMN COCC(COC)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000456225047 236372668 /nfs/dbraw/zinc/37/26/68/236372668.db2.gz HCPMUOMJUSTCAQ-UHFFFAOYSA-N 0 1 284.268 0.692 20 5 CCBDMN COc1cc(CN[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1O ZINC000294858125 199216924 /nfs/dbraw/zinc/21/69/24/199216924.db2.gz OCQBAWJECZOQNG-DTORHVGOSA-N 0 1 268.269 0.922 20 5 CCBDMN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000567861182 358601710 /nfs/dbraw/zinc/60/17/10/358601710.db2.gz OYLRETAYLMLBHF-QMMMGPOBSA-N 0 1 288.329 0.396 20 5 CCBDMN Cc1c(CC(=O)NCc2c[nH]nn2)cccc1[N+](=O)[O-] ZINC000610971929 363639800 /nfs/dbraw/zinc/63/98/00/363639800.db2.gz JBSVSTVMIYXKTL-UHFFFAOYSA-N 0 1 275.268 0.880 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCc2nc[nH]c2C1 ZINC000590378275 359446654 /nfs/dbraw/zinc/44/66/54/359446654.db2.gz HPNYKSFXYOVLIS-UHFFFAOYSA-N 0 1 289.251 0.617 20 5 CCBDMN COCCC1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000591783705 359658462 /nfs/dbraw/zinc/65/84/62/359658462.db2.gz CIJGOHKHHQECON-UHFFFAOYSA-N 0 1 268.273 0.735 20 5 CCBDMN CC(C)[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592298390 359813828 /nfs/dbraw/zinc/81/38/28/359813828.db2.gz JOMYRGNVVQVLBH-VIFPVBQESA-N 0 1 268.273 0.409 20 5 CCBDMN CCCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCN(C)C1 ZINC000592829745 359947600 /nfs/dbraw/zinc/94/76/00/359947600.db2.gz XMXQNLMGFKQZMB-SNVBAGLBSA-N 0 1 295.343 0.885 20 5 CCBDMN C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C(=O)[O-])C1 ZINC000593748742 360147517 /nfs/dbraw/zinc/14/75/17/360147517.db2.gz RLEVHPRLJCGIFO-GXSJLCMTSA-N 0 1 282.300 0.976 20 5 CCBDMN C[C@@H](CO)N[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000593919839 360215916 /nfs/dbraw/zinc/21/59/16/360215916.db2.gz GELRPOSRUOIQFW-GZMMTYOYSA-N 0 1 293.279 0.197 20 5 CCBDMN CC(C)[C@@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594763175 360378332 /nfs/dbraw/zinc/37/83/32/360378332.db2.gz NACAYTJENCVNRF-MRVPVSSYSA-N 0 1 289.313 0.285 20 5 CCBDMN NC(=O)c1cc(N2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596092815 360791291 /nfs/dbraw/zinc/79/12/91/360791291.db2.gz NSWQTWGKGIDCPV-UHFFFAOYSA-N 0 1 290.323 0.978 20 5 CCBDMN CC(C)c1nc(CNc2ccc(N)c([N+](=O)[O-])n2)n[nH]1 ZINC000596249726 360853713 /nfs/dbraw/zinc/85/37/13/360853713.db2.gz KNAXWWNICTVUMD-UHFFFAOYSA-N 0 1 277.288 0.848 20 5 CCBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCCCC1 ZINC000180531106 189260855 /nfs/dbraw/zinc/26/08/55/189260855.db2.gz WACREWKRHPWMCT-UHFFFAOYSA-N 0 1 293.327 0.788 20 5 CCBDMN CC(C)(C)N1CC[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000597861755 361271864 /nfs/dbraw/zinc/27/18/64/361271864.db2.gz WXJAPBCDTVEJFS-QMMMGPOBSA-N 0 1 281.316 0.921 20 5 CCBDMN CCN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000611597932 363749489 /nfs/dbraw/zinc/74/94/89/363749489.db2.gz ZDFGZFHKFOKAME-SNVBAGLBSA-N 0 1 293.327 0.970 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H]3COC[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000598228398 361358779 /nfs/dbraw/zinc/35/87/79/361358779.db2.gz HVVLTMJWURISDZ-ISVAXAHUSA-N 0 1 294.311 0.989 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H]3COC[C@]3(C)C2)c1[N+](=O)[O-] ZINC000598228400 361358959 /nfs/dbraw/zinc/35/89/59/361358959.db2.gz HVVLTMJWURISDZ-SDBXPKJASA-N 0 1 294.311 0.989 20 5 CCBDMN O=C(NC[C@H](CO)CC1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000598293863 361381822 /nfs/dbraw/zinc/38/18/22/361381822.db2.gz UTKZASWIMCSIID-MRVPVSSYSA-N 0 1 268.273 0.456 20 5 CCBDMN C[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000599224313 361615669 /nfs/dbraw/zinc/61/56/69/361615669.db2.gz YEFFSMWDDDSUNO-SSDOTTSWSA-N 0 1 288.329 0.653 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@]2(C)CC2(C)C)n1 ZINC000599349117 361663951 /nfs/dbraw/zinc/66/39/51/361663951.db2.gz DPEXNDXEJLXTHV-JTQLQIEISA-N 0 1 288.329 0.795 20 5 CCBDMN COc1cc(CN2C[C@@H](CO)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000599531234 361728911 /nfs/dbraw/zinc/72/89/11/361728911.db2.gz NUQZGJPISNXIFX-RYUDHWBXSA-N 0 1 296.323 0.636 20 5 CCBDMN COC[C@](C)(CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000614043984 364472999 /nfs/dbraw/zinc/47/29/99/364472999.db2.gz GKWDJBJNZJVNDV-LBPRGKRZSA-N 0 1 284.268 0.428 20 5 CCBDMN Nc1nc(NCCN2CCCOCC2)ncc1[N+](=O)[O-] ZINC000275537025 193070319 /nfs/dbraw/zinc/07/03/19/193070319.db2.gz ZFGXWLYGEWTSJD-UHFFFAOYSA-N 0 1 282.304 0.101 20 5 CCBDMN C[C@@H](O)C[N@H+](CCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339202642 296180242 /nfs/dbraw/zinc/18/02/42/296180242.db2.gz JMBUCWGQYOMZJK-SECBINFHSA-N 0 1 270.285 0.476 20 5 CCBDMN C[C@@H](O)C[N@@H+](CCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339202642 296180244 /nfs/dbraw/zinc/18/02/44/296180244.db2.gz JMBUCWGQYOMZJK-SECBINFHSA-N 0 1 270.285 0.476 20 5 CCBDMN [NH3+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000568527471 291602381 /nfs/dbraw/zinc/60/23/81/291602381.db2.gz SAZUWHIIRDYSRZ-UHFFFAOYSA-N 0 1 294.311 0.896 20 5 CCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCCCO ZINC000289161050 197249934 /nfs/dbraw/zinc/24/99/34/197249934.db2.gz LTNHEMROIGEPAK-UHFFFAOYSA-N 0 1 292.288 0.785 20 5 CCBDMN COc1c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)nn1C ZINC000359282019 285200733 /nfs/dbraw/zinc/20/07/33/285200733.db2.gz IJNFHYVRCNVWGH-UHFFFAOYSA-N 0 1 294.271 0.298 20 5 CCBDMN COC[C@](C)(O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000452339796 533202488 /nfs/dbraw/zinc/20/24/88/533202488.db2.gz GMIGIRFDHGGXOT-CYBMUJFWSA-N 0 1 298.295 0.818 20 5 CCBDMN O=C(NCCC1(O)CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000285644750 388796120 /nfs/dbraw/zinc/79/61/20/388796120.db2.gz GPNBHULYCNAIKU-UHFFFAOYSA-N 0 1 254.246 0.353 20 5 CCBDMN C[C@@H](O)C[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000192814581 389055533 /nfs/dbraw/zinc/05/55/33/389055533.db2.gz CDBUABOGVNNRCS-NWDGAFQWSA-N 0 1 297.359 0.178 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000299505167 389041040 /nfs/dbraw/zinc/04/10/40/389041040.db2.gz DSWFTOXTXKAPIA-ZETCQYMHSA-N 0 1 281.272 0.106 20 5 CCBDMN CN1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299208594 389041185 /nfs/dbraw/zinc/04/11/85/389041185.db2.gz ARVQNKMEWLDPKA-NSHDSACASA-N 0 1 299.352 0.967 20 5 CCBDMN COCCN(CCOC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000355968525 389118426 /nfs/dbraw/zinc/11/84/26/389118426.db2.gz YMDCCXPTFYWTDI-UHFFFAOYSA-N 0 1 286.288 0.361 20 5 CCBDMN C[C@@H]([NH3+])C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000195298546 389122712 /nfs/dbraw/zinc/12/27/12/389122712.db2.gz RUAHSBDOWCKJOS-ZCFIWIBFSA-N 0 1 293.732 0.874 20 5 CCBDMN C[C@H](C(=O)[O-])[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262619070 389290462 /nfs/dbraw/zinc/29/04/62/389290462.db2.gz DLPVYPFJTGMERK-BDAKNGLRSA-N 0 1 280.284 0.949 20 5 CCBDMN O=C(NC[C@]1(O)CCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000366608247 389307589 /nfs/dbraw/zinc/30/75/89/389307589.db2.gz OKATUOUPFCYDER-MPKXVKKWSA-N 0 1 276.292 0.602 20 5 CCBDMN C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000422829952 389486461 /nfs/dbraw/zinc/48/64/61/389486461.db2.gz VERRACPMPLANFA-IUCAKERBSA-N 0 1 278.312 0.999 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCNC(=O)[C@@H]1c1cccs1 ZINC000374108451 389546417 /nfs/dbraw/zinc/54/64/17/389546417.db2.gz PZZSZTATUIOAMB-MRTMQBJTSA-N 0 1 295.320 0.413 20 5 CCBDMN O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000374918087 389620529 /nfs/dbraw/zinc/62/05/29/389620529.db2.gz VROBMCRUHIYELF-SFYZADRCSA-N 0 1 293.283 0.201 20 5 CCBDMN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)N1 ZINC000179151763 389641355 /nfs/dbraw/zinc/64/13/55/389641355.db2.gz OQBDCBLUXUVQDH-RKDXNWHRSA-N 0 1 267.289 0.000 20 5 CCBDMN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1O ZINC000351943688 389721451 /nfs/dbraw/zinc/72/14/51/389721451.db2.gz HORKAXDSUIZDSN-QPUJVOFHSA-N 0 1 279.296 0.506 20 5 CCBDMN CCc1n[nH]c(C(=O)N[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000547927645 390408469 /nfs/dbraw/zinc/40/84/69/390408469.db2.gz WIIBOVKCIMFWEJ-MRVPVSSYSA-N 0 1 293.327 0.847 20 5 CCBDMN C[C@@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000566795545 390648652 /nfs/dbraw/zinc/64/86/52/390648652.db2.gz OMOYRCFNPPNVOT-LURJTMIESA-N 0 1 254.246 0.163 20 5 CCBDMN CCc1[nH]nc(C(=O)N2Cc3cncnc3C2)c1[N+](=O)[O-] ZINC000571536349 390740155 /nfs/dbraw/zinc/74/01/55/390740155.db2.gz FJFYJKQJARNCHY-UHFFFAOYSA-N 0 1 288.267 0.826 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1CCSc1cn[nH]n1 ZINC000342218157 130391532 /nfs/dbraw/zinc/39/15/32/130391532.db2.gz UETAHNPJRFPRTR-UHFFFAOYSA-N 0 1 267.270 0.667 20 5 CCBDMN C[C@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275415181 135106081 /nfs/dbraw/zinc/10/60/81/135106081.db2.gz SSGSJPIEQVAOOH-QWRGUYRKSA-N 0 1 280.328 0.881 20 5 CCBDMN Cc1c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cnn1C ZINC000196747024 397427379 /nfs/dbraw/zinc/42/73/79/397427379.db2.gz QMMFFGPYUHJKRP-UHFFFAOYSA-N 0 1 264.245 0.290 20 5 CCBDMN CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1C ZINC000356704677 144025897 /nfs/dbraw/zinc/02/58/97/144025897.db2.gz BPGBUJXHTOXWCN-UWVGGRQHSA-N 0 1 295.343 0.883 20 5 CCBDMN C[C@@H]1[C@H](C)N(Cc2c([N+](=O)[O-])ncn2C)CCN1C ZINC000356981115 144047835 /nfs/dbraw/zinc/04/78/35/144047835.db2.gz GCGSMQITYMWDNN-ZJUUUORDSA-N 0 1 267.333 0.853 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1c1ncon1 ZINC000371705878 144341592 /nfs/dbraw/zinc/34/15/92/144341592.db2.gz AXIHBLDGWLOVND-IWSPIJDZSA-N 0 1 266.257 0.788 20 5 CCBDMN C[C@@H]1COCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000372352507 144363666 /nfs/dbraw/zinc/36/36/66/144363666.db2.gz YGPPABHVCKNJQC-NSHDSACASA-N 0 1 281.312 0.725 20 5 CCBDMN Cc1cccc(C(=O)NCc2nn[nH]n2)c1[N+](=O)[O-] ZINC000044926960 411632750 /nfs/dbraw/zinc/63/27/50/411632750.db2.gz LGBXZVDLHXGTGV-UHFFFAOYSA-N 0 1 262.229 0.346 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000044928273 411633617 /nfs/dbraw/zinc/63/36/17/411633617.db2.gz WDOLKACIXUQDQZ-UHFFFAOYSA-N 0 1 282.647 0.691 20 5 CCBDMN C[C@H](NC(=O)[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000043709419 175102984 /nfs/dbraw/zinc/10/29/84/175102984.db2.gz BWLCNRVVJYSSJJ-JOYOIKCWSA-N 0 1 279.296 0.760 20 5 CCBDMN CNC(=O)NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180435741 277003961 /nfs/dbraw/zinc/00/39/61/277003961.db2.gz VMMBTKOFPHLVHK-QMMMGPOBSA-N 0 1 280.284 0.701 20 5 CCBDMN CC1(C)CC[N@@H+](CC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000580447614 330140296 /nfs/dbraw/zinc/14/02/96/330140296.db2.gz MROQMGVQCDNBAT-UHFFFAOYSA-N 0 1 295.343 0.639 20 5 CCBDMN CC1(C)CCN(CC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000580447614 330140297 /nfs/dbraw/zinc/14/02/97/330140297.db2.gz MROQMGVQCDNBAT-UHFFFAOYSA-N 0 1 295.343 0.639 20 5 CCBDMN C[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000576157583 335161925 /nfs/dbraw/zinc/16/19/25/335161925.db2.gz CHWCFUHJJSKNLK-UHFFFAOYSA-N 0 1 294.311 0.767 20 5 CCBDMN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577372769 335344059 /nfs/dbraw/zinc/34/40/59/335344059.db2.gz PUZWIOSDDIEXCI-HTQZYQBOSA-N 0 1 288.329 0.394 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000578130332 335511093 /nfs/dbraw/zinc/51/10/93/335511093.db2.gz DZDIRFVNMJEZFS-KCJUWKMLSA-N 0 1 292.295 0.519 20 5 CCBDMN NC(=O)[C@@]1(NCCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000581556480 336102215 /nfs/dbraw/zinc/10/22/15/336102215.db2.gz IJPLUMGQWQHTBX-CYBMUJFWSA-N 0 1 295.295 0.208 20 5 CCBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCNCC1 ZINC000417931254 534472590 /nfs/dbraw/zinc/47/25/90/534472590.db2.gz BUEXSJBOPMNGDC-UHFFFAOYSA-N 0 1 278.312 0.752 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)C2CC(O)C2)c1[N+](=O)[O-] ZINC000331757598 528544701 /nfs/dbraw/zinc/54/47/01/528544701.db2.gz ICSRXOGNFQYRLK-UHFFFAOYSA-N 0 1 282.300 0.866 20 5 CCBDMN CC(C)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000269204334 535108593 /nfs/dbraw/zinc/10/85/93/535108593.db2.gz SORAVJWUDPFRLB-JTQLQIEISA-N 0 1 281.268 0.540 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000263679980 536001036 /nfs/dbraw/zinc/00/10/36/536001036.db2.gz GXVZQEXLSJSHSZ-ZETCQYMHSA-N 0 1 268.273 0.741 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)C3(CC3)C2)c1[N+](=O)[O-] ZINC000372357020 536003278 /nfs/dbraw/zinc/00/32/78/536003278.db2.gz KABSQWFCCPBCIE-QMMMGPOBSA-N 0 1 280.284 0.477 20 5 CCBDMN COC[C@@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262351284 536674263 /nfs/dbraw/zinc/67/42/63/536674263.db2.gz UMSHEHJKEDTZQL-MRVPVSSYSA-N 0 1 279.256 0.383 20 5 CCBDMN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1c[nH]nn1 ZINC000790061708 581174593 /nfs/dbraw/zinc/17/45/93/581174593.db2.gz CCDUJUFQGIBOCR-UHFFFAOYSA-N 0 1 290.239 0.081 20 5 CCBDMN O=C(OCC[C@H]1CNC(=O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000792007034 581273594 /nfs/dbraw/zinc/27/35/94/581273594.db2.gz VRGKTOBJPBJQAU-SSDOTTSWSA-N 0 1 267.241 0.606 20 5 CCBDMN O=C(N[C@H]1CCCC2(C1)OCCO2)c1n[nH]cc1[N+](=O)[O-] ZINC000782858015 581322767 /nfs/dbraw/zinc/32/27/67/581322767.db2.gz PWSOTKDVFQWWHO-QMMMGPOBSA-N 0 1 296.283 0.733 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@]3(CO)C2)c1[N+](=O)[O-] ZINC000783818699 581364936 /nfs/dbraw/zinc/36/49/36/581364936.db2.gz JJUDWBWUKDLPBE-WRWORJQWSA-N 0 1 266.257 0.081 20 5 CCBDMN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nn[nH]n1 ZINC000755310025 581635584 /nfs/dbraw/zinc/63/55/84/581635584.db2.gz NYYWMCVXWUXHDH-VURMDHGXSA-N 0 1 288.267 0.828 20 5 CCBDMN O=C(NN1CCCC1=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000770546570 581752666 /nfs/dbraw/zinc/75/26/66/581752666.db2.gz MNPCNCQBYPWBDA-UHFFFAOYSA-N 0 1 294.223 0.770 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC000731810381 581782576 /nfs/dbraw/zinc/78/25/76/581782576.db2.gz HJSRWHJJIJDJQX-UHFFFAOYSA-N 0 1 296.283 0.469 20 5 CCBDMN CN1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1=O ZINC000764719169 582064259 /nfs/dbraw/zinc/06/42/59/582064259.db2.gz DTSVXXKGYQDIPY-LURJTMIESA-N 0 1 253.214 0.310 20 5 CCBDMN O=C([O-])C[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819385418 597046714 /nfs/dbraw/zinc/04/67/14/597046714.db2.gz PNADZAOGHIHWMW-SECBINFHSA-N 0 1 268.273 0.936 20 5 CCBDMN O=C([O-])C[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819385418 597046716 /nfs/dbraw/zinc/04/67/16/597046716.db2.gz PNADZAOGHIHWMW-SECBINFHSA-N 0 1 268.273 0.936 20 5 CCBDMN O=C([O-])[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000821510218 597467621 /nfs/dbraw/zinc/46/76/21/597467621.db2.gz FSAIKTOZWHXQLC-NSHDSACASA-N 0 1 295.295 0.696 20 5 CCBDMN O=C([O-])[C@@]1(F)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000833176057 601448177 /nfs/dbraw/zinc/44/81/77/601448177.db2.gz WDYTUEGLZPORJI-SNVBAGLBSA-N 0 1 272.236 0.290 20 5 CCBDMN O=C([O-])[C@@]1(F)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000833176057 601448179 /nfs/dbraw/zinc/44/81/79/601448179.db2.gz WDYTUEGLZPORJI-SNVBAGLBSA-N 0 1 272.236 0.290 20 5 CCBDMN CC(C)[C@H](C(=O)OCc1cn(C)nc1[N+](=O)[O-])N(C)C ZINC000847784075 614194619 /nfs/dbraw/zinc/19/46/19/614194619.db2.gz MYQPZXAPSOCEKW-SNVBAGLBSA-N 0 1 284.316 0.958 20 5 CCBDMN C/C=C(/C)C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940687037 613101273 /nfs/dbraw/zinc/10/12/73/613101273.db2.gz YSQZEHHQDVTEIO-VZAOXQLQSA-N 0 1 295.339 0.679 20 5 CCBDMN COc1ccnc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1F ZINC000855805813 617325267 /nfs/dbraw/zinc/32/52/67/617325267.db2.gz OYBVQMLLPRGMAF-HTRCEHHLSA-N 0 1 269.232 0.511 20 5 CCBDMN CC(C)(CO)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccnc1 ZINC000855107448 614125444 /nfs/dbraw/zinc/12/54/44/614125444.db2.gz BDJUSIHEXYLASC-IJLUTSLNSA-N 0 1 293.323 0.923 20 5 CCBDMN CC(C)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCCO1 ZINC000839780448 614161324 /nfs/dbraw/zinc/16/13/24/614161324.db2.gz STAXQFBUMUFPSC-MXWKQRLJSA-N 0 1 256.302 0.925 20 5 CCBDMN CCCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000839727122 614477249 /nfs/dbraw/zinc/47/72/49/614477249.db2.gz WAYKGRWBDFSEIF-IWSPIJDZSA-N 0 1 258.274 0.500 20 5 CCBDMN CC1(C)OC[C@@H](CCOC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000842324181 614820234 /nfs/dbraw/zinc/82/02/34/614820234.db2.gz CEVZNLPGTVJDML-IWSPIJDZSA-N 0 1 259.258 0.736 20 5 CCBDMN CCC[C@@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000840280117 615028970 /nfs/dbraw/zinc/02/89/70/615028970.db2.gz DDVFKUYRLDBEJH-SOCHQFKDSA-N 0 1 258.274 0.500 20 5 CCBDMN CCN1CC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000922155575 615323109 /nfs/dbraw/zinc/32/31/09/615323109.db2.gz BWYBZBPNNHPUGM-STQMWFEESA-N 0 1 293.323 0.839 20 5 CCBDMN CCN1C[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])OC1=O ZINC000848766302 615349083 /nfs/dbraw/zinc/34/90/83/615349083.db2.gz PNMSBGXLVWPFPT-XLPZGREQSA-N 0 1 258.230 0.036 20 5 CCBDMN CC[C@H](COCC1CC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855283924 615743458 /nfs/dbraw/zinc/74/34/58/615743458.db2.gz IVWBTSXFFYDJKT-GMTAPVOTSA-N 0 1 256.302 0.973 20 5 CCBDMN CN(C(=O)C1CC=CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953932573 615799661 /nfs/dbraw/zinc/79/96/61/615799661.db2.gz SWMNSFQROFRWDW-VXGBXAGGSA-N 0 1 293.323 0.287 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000855137848 615867308 /nfs/dbraw/zinc/86/73/08/615867308.db2.gz XPOHOEIJCCWVHM-YNEHKIRRSA-N 0 1 278.308 0.714 20 5 CCBDMN CN1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000931410224 616242391 /nfs/dbraw/zinc/24/23/91/616242391.db2.gz KCLSGDPWFWUQGM-GFCCVEGCSA-N 0 1 295.339 0.582 20 5 CCBDMN CN1CC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000928564890 616287462 /nfs/dbraw/zinc/28/74/62/616287462.db2.gz GQJVMZQGANJQCX-SNVBAGLBSA-N 0 1 278.312 0.827 20 5 CCBDMN CN1C[C@@H](O)C[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000924983435 616332125 /nfs/dbraw/zinc/33/21/25/616332125.db2.gz CGEZTNGVDKIAAY-UWVGGRQHSA-N 0 1 297.286 0.529 20 5 CCBDMN COC(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC000839727031 616360034 /nfs/dbraw/zinc/36/00/34/616360034.db2.gz UJSWZMPNRJCVIN-NXEZZACHSA-N 0 1 284.312 0.891 20 5 CCBDMN COC(=O)C1=CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000862656755 616416237 /nfs/dbraw/zinc/41/62/37/616416237.db2.gz SFNFFNVVFOCKSM-IWSPIJDZSA-N 0 1 254.242 0.030 20 5 CCBDMN COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840425019 616465525 /nfs/dbraw/zinc/46/55/25/616465525.db2.gz FVGFMYTXSCTQGB-KYXWUPHJSA-N 0 1 270.285 0.452 20 5 CCBDMN COC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(O)c1 ZINC000840405881 616630195 /nfs/dbraw/zinc/63/01/95/616630195.db2.gz XFWIRGXBSXFOFB-GMTAPVOTSA-N 0 1 294.263 0.388 20 5 CCBDMN CNC(=O)[C@@H]1CCC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886169816 616823359 /nfs/dbraw/zinc/82/33/59/616823359.db2.gz JKJFASXULQPGJF-GHMZBOCLSA-N 0 1 278.312 0.994 20 5 CCBDMN COC(=O)NC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000852766615 616859200 /nfs/dbraw/zinc/85/92/00/616859200.db2.gz HRUNASDRGQHGIE-UHFFFAOYSA-N 0 1 297.315 0.612 20 5 CCBDMN CNC(=O)[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886251993 616886930 /nfs/dbraw/zinc/88/69/30/616886930.db2.gz QISMAZSSJZHLIS-JTQLQIEISA-N 0 1 264.285 0.558 20 5 CCBDMN COC(=O)c1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC000840673517 616907157 /nfs/dbraw/zinc/90/71/57/616907157.db2.gz QYWZQFVOQQUUJL-NXEZZACHSA-N 0 1 280.236 0.577 20 5 CCBDMN COC(=O)[C@@H](COC(C)C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840394408 616968765 /nfs/dbraw/zinc/96/87/65/616968765.db2.gz FCUBJHMOVCWQDR-OPRDCNLKSA-N 0 1 288.300 0.077 20 5 CCBDMN CON(C)C(=O)[C@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863586845 617068968 /nfs/dbraw/zinc/06/89/68/617068968.db2.gz FUKOQIBTTHXQCD-JOYOIKCWSA-N 0 1 297.311 0.626 20 5 CCBDMN CON(CC1CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839759030 617083873 /nfs/dbraw/zinc/08/38/73/617083873.db2.gz IDBCBLGVNGQRFA-NXEZZACHSA-N 0 1 258.274 0.468 20 5 CCBDMN O=C(C=C1CCC1)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974013963 625391653 /nfs/dbraw/zinc/39/16/53/625391653.db2.gz IXTNISKUBAHOQW-WRWGMCAJSA-N 0 1 293.323 0.525 20 5 CCBDMN C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000176736164 622774103 /nfs/dbraw/zinc/77/41/03/622774103.db2.gz BSGJPHOHTBOBFV-LURJTMIESA-N 0 1 276.256 0.786 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(Cc2ccon2)CC1 ZINC000981137587 631236991 /nfs/dbraw/zinc/23/69/91/631236991.db2.gz YPWNDVYAMVIGNX-VXGBXAGGSA-N 0 1 294.311 0.374 20 5 CCBDMN C[C@@H](C1CC1)N(C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840672244 631681932 /nfs/dbraw/zinc/68/19/32/631681932.db2.gz FOIHYTAFBYQFRJ-XXILOJSOSA-N 0 1 296.323 0.984 20 5 CCBDMN O=C(Oc1ccc2c(c1)C(=O)NC2)[C@@H]1CC1[N+](=O)[O-] ZINC000841198221 631753440 /nfs/dbraw/zinc/75/34/40/631753440.db2.gz PXJKXUWRKCRDDS-NXEZZACHSA-N 0 1 262.221 0.501 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840505647 631759341 /nfs/dbraw/zinc/75/93/41/631759341.db2.gz NQLSZIUWQUUWEC-QNWHQSFQSA-N 0 1 276.292 0.986 20 5 CCBDMN O=C(NC[C@H](CO)Cc1ccco1)[C@@H]1CC1[N+](=O)[O-] ZINC000839515426 640317068 /nfs/dbraw/zinc/31/70/68/640317068.db2.gz ZISXIVHLOHTZTF-FBIMIBRVSA-N 0 1 268.269 0.212 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](n2ccnc2)C1 ZINC000839652523 640348218 /nfs/dbraw/zinc/34/82/18/640348218.db2.gz OMCIKLXEOWVCIE-HBNTYKKESA-N 0 1 264.285 0.712 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(Oc2ccccc2)C1 ZINC000839640058 640350663 /nfs/dbraw/zinc/35/06/63/640350663.db2.gz DTVUAMKSRHYTAH-VXGBXAGGSA-N 0 1 262.265 0.941 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](N2CCCC2=O)C1 ZINC000839678879 640352960 /nfs/dbraw/zinc/35/29/60/640352960.db2.gz AGPRAWRLPIMNRV-HBNTYKKESA-N 0 1 281.312 0.265 20 5 CCBDMN O=C(Nc1ccc(CCO)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839708853 640356523 /nfs/dbraw/zinc/35/65/23/640356523.db2.gz JYZNGAVILKZQEK-GHMZBOCLSA-N 0 1 250.254 0.825 20 5 CCBDMN O=C(N[C@@H]1Cc2cccc(O)c2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839742143 640360808 /nfs/dbraw/zinc/36/08/08/640360808.db2.gz HVQBYTRBQIQLMC-FBIMIBRVSA-N 0 1 262.265 0.641 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000839783736 640365065 /nfs/dbraw/zinc/36/50/65/640365065.db2.gz LDFDZTOOLIENDC-VSSNEEPJSA-N 0 1 268.313 0.804 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(F)(F)C(F)(F)C1 ZINC000839798032 640381904 /nfs/dbraw/zinc/38/19/04/640381904.db2.gz DIOCERJVUHWNLM-RFZPGFLSSA-N 0 1 256.155 0.764 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CC(C)(C)OC2=O)c1[N+](=O)[O-] ZINC000816728399 641203319 /nfs/dbraw/zinc/20/33/19/641203319.db2.gz ISQXHHFZJDSCQI-ZETCQYMHSA-N 0 1 296.283 0.792 20 5 CCBDMN O=C(N[C@@H](CCO)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000820291451 641494404 /nfs/dbraw/zinc/49/44/04/641494404.db2.gz HGPFWABSBDQWKZ-YFKPBYRVSA-N 0 1 282.178 0.361 20 5 CCBDMN C[S@@](=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000828311195 642085761 /nfs/dbraw/zinc/08/57/61/642085761.db2.gz MTDBJLWRPXOIBC-WVDJIFEKSA-N 0 1 298.368 0.855 20 5 CCBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1COC1 ZINC000837659966 642761293 /nfs/dbraw/zinc/76/12/93/642761293.db2.gz ZPNGTDFAMDZEAT-UHFFFAOYSA-N 0 1 253.210 0.990 20 5 CCBDMN C[C@@H](CCn1cccn1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842328946 642892244 /nfs/dbraw/zinc/89/22/44/642892244.db2.gz KLKXOHSGQRATSY-IVZWLZJFSA-N 0 1 253.258 0.870 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OCc1ccccc1 ZINC000847146396 643490600 /nfs/dbraw/zinc/49/06/00/643490600.db2.gz SXNQYFMMDXDZGR-MVWJERBFSA-N 0 1 292.291 0.900 20 5 CCBDMN CCc1cc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])n[nH]1 ZINC000847485216 643524753 /nfs/dbraw/zinc/52/47/53/643524753.db2.gz AJYKUIWCDAIEIW-UHFFFAOYSA-N 0 1 290.283 0.788 20 5 CCBDMN O=C(Cn1cnc([N+](=O)[O-])n1)OCc1cc(C2CC2)[nH]n1 ZINC000848014814 643573000 /nfs/dbraw/zinc/57/30/00/643573000.db2.gz LGSWFIGZCFFQLC-UHFFFAOYSA-N 0 1 292.255 0.530 20 5 CCBDMN O=C(NC[C@H]1CN(C2CC2)C(=O)O1)c1n[nH]cc1[N+](=O)[O-] ZINC000848367468 643629476 /nfs/dbraw/zinc/62/94/76/643629476.db2.gz ZOURLOJZOVBFPY-ZETCQYMHSA-N 0 1 295.255 0.031 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](CN2CCCC2=O)C1 ZINC000856178157 644398826 /nfs/dbraw/zinc/39/88/26/644398826.db2.gz XQRIULADDAVGAR-GMTAPVOTSA-N 0 1 281.312 0.123 20 5 CCBDMN O=C(NC[C@@H]1COCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000861973414 644955393 /nfs/dbraw/zinc/95/53/93/644955393.db2.gz UKHFYUNBQHLHOT-SNVBAGLBSA-N 0 1 268.225 0.403 20 5 CCBDMN O=C(N[C@@H]1Cc2ccccc2NC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862991940 645054524 /nfs/dbraw/zinc/05/45/24/645054524.db2.gz GROHUEBOUUAWRP-FBIMIBRVSA-N 0 1 275.264 0.331 20 5 CCBDMN O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000871308823 646127202 /nfs/dbraw/zinc/12/72/02/646127202.db2.gz ALLLONMWRRFRHV-KKOKHZNYSA-N 0 1 268.313 0.973 20 5 CCBDMN Cn1cc(CN2CC[C@H](C(C)(C)O)C2)c([N+](=O)[O-])n1 ZINC000877836935 646847116 /nfs/dbraw/zinc/84/71/16/646847116.db2.gz QPEOVIPWGMKNLE-JTQLQIEISA-N 0 1 268.317 0.921 20 5 CCBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC=C[C@@H]1CO ZINC000880488230 647211867 /nfs/dbraw/zinc/21/18/67/647211867.db2.gz ADBCIMSODUXAAB-NEPJUHHUSA-N 0 1 294.307 0.567 20 5 CCBDMN O=[N+]([O-])c1c(F)nccc1N1CCCN(CCO)CC1 ZINC000881924892 647353725 /nfs/dbraw/zinc/35/37/25/647353725.db2.gz VEBQIJBWAJZKHZ-UHFFFAOYSA-N 0 1 284.291 0.633 20 5 CCBDMN O=C(NCc1cc(C(F)F)on1)[C@@H]1CC1[N+](=O)[O-] ZINC000928147506 648619218 /nfs/dbraw/zinc/61/92/18/648619218.db2.gz MCBNQFHUDMFQMN-PHDIDXHHSA-N 0 1 261.184 0.894 20 5 CCBDMN O=C(NC[C@H]1CCCN(CC[N+](=O)[O-])C1)C(F)(F)F ZINC000930519472 648871926 /nfs/dbraw/zinc/87/19/26/648871926.db2.gz JQRWETDJSUKJEK-MRVPVSSYSA-N 0 1 283.250 0.654 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@H]1C1OCCO1 ZINC000247447204 649711114 /nfs/dbraw/zinc/71/11/14/649711114.db2.gz YVMWMYVPZSRCJJ-KXUCPTDWSA-N 0 1 270.285 0.406 20 5 CCBDMN CN1CCO[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC001164670285 719379069 /nfs/dbraw/zinc/37/90/69/719379069.db2.gz UDKNHRDSTJZCBL-GHMZBOCLSA-N 0 1 282.275 0.648 20 5 CCBDMN COc1cnc(N2C[C@@H]3OCCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164665221 719389746 /nfs/dbraw/zinc/38/97/46/719389746.db2.gz GEAHIYXMIZLSFS-RYUDHWBXSA-N 0 1 294.311 0.518 20 5 CCBDMN Nc1ncnc2nn(-c3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC001210393067 790877928 /nfs/dbraw/zinc/87/79/28/790877928.db2.gz VJNYAPJLEHJBSF-UHFFFAOYSA-N 0 1 272.224 0.793 20 5 CCBDMN CCc1ccc(C(=O)N2CCNC[C@@H]2CO)cc1[N+](=O)[O-] ZINC001122124326 799149687 /nfs/dbraw/zinc/14/96/87/799149687.db2.gz JIVCSYLTVRQMTE-GFCCVEGCSA-N 0 1 293.323 0.564 20 5 CCBDMN CC(C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ncon1 ZINC001139594149 799824235 /nfs/dbraw/zinc/82/42/35/799824235.db2.gz JYFWCLRYFHOLPS-BWZBUEFSSA-N 0 1 254.246 0.548 20 5 CCBDMN COC(=O)c1cnc(N[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001156580254 801190415 /nfs/dbraw/zinc/19/04/15/801190415.db2.gz JBVOZWHNKWKLIJ-VIFPVBQESA-N 0 1 280.284 0.892 20 5 CCBDMN Cc1nc(-n2c(C)ncc(CN)c2=N)ccc1[N+](=O)[O-] ZINC001156825328 801242679 /nfs/dbraw/zinc/24/26/79/801242679.db2.gz LKYMVJSNLBDDEJ-UHFFFAOYSA-N 0 1 274.284 0.731 20 5 CCBDMN CCOc1nc(NC[C@H]2COCCN2)ccc1[N+](=O)[O-] ZINC001159044702 801750801 /nfs/dbraw/zinc/75/08/01/801750801.db2.gz ZCIUASBPHLVJHJ-VIFPVBQESA-N 0 1 282.300 0.789 20 5 CCBDMN COc1nc(NCC2CN(C)C2)ccc1[N+](=O)[O-] ZINC001159219269 801776566 /nfs/dbraw/zinc/77/65/66/801776566.db2.gz YSQAGTCLOSWPGU-UHFFFAOYSA-N 0 1 252.274 0.972 20 5 CCBDMN O=C(NCCC1=CCN(CCF)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160096929 801907544 /nfs/dbraw/zinc/90/75/44/801907544.db2.gz BANGQBWWUFJZPQ-VXGBXAGGSA-N 0 1 285.319 0.760 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2ncccc2[N+](=O)[O-])S1 ZINC001163667430 802588520 /nfs/dbraw/zinc/58/85/20/802588520.db2.gz UBUUZCQUQAGNCQ-SSDOTTSWSA-N 0 1 254.227 0.711 20 5 CCBDMN CN(C)C1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001163933994 802636232 /nfs/dbraw/zinc/63/62/32/802636232.db2.gz VPJKZZXRAUDZJU-UHFFFAOYSA-N 0 1 267.245 0.648 20 5 CCBDMN CCN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC001166442958 802907113 /nfs/dbraw/zinc/90/71/13/802907113.db2.gz ALTKROPSJYBTDZ-SNVBAGLBSA-N 0 1 293.327 0.738 20 5 CCBDMN COc1nc(N2CC[C@@H](N)C(F)(F)C2)ncc1[N+](=O)[O-] ZINC001166959191 802995086 /nfs/dbraw/zinc/99/50/86/802995086.db2.gz ABFGBADDUZVAIJ-SSDOTTSWSA-N 0 1 289.242 0.566 20 5 CCBDMN C[C@@H](CON)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228241984 805424851 /nfs/dbraw/zinc/42/48/51/805424851.db2.gz HHSYHTWLHZOJBP-LURJTMIESA-N 0 1 280.240 0.901 20 5 CCBDMN CC[C@@H](Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-])C(=O)OC ZINC001229382309 805526550 /nfs/dbraw/zinc/52/65/50/805526550.db2.gz RJMWTWSCEOAVPY-ZCFIWIBFSA-N 0 1 271.229 0.729 20 5 CCBDMN O=C(CCO)CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579990 808262827 /nfs/dbraw/zinc/26/28/27/808262827.db2.gz YFJQYKJYLPBEIB-LLVKDONJSA-N 0 1 264.281 0.603 20 5 CCBDMN COc1ccnc(-n2c(C)ncc(CN)c2=N)c1[N+](=O)[O-] ZINC001167672630 811127500 /nfs/dbraw/zinc/12/75/00/811127500.db2.gz QGUPUSLIRMFGCS-UHFFFAOYSA-N 0 1 290.283 0.431 20 5 CCBDMN O=C(NC1CN(Cc2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030291499 815959802 /nfs/dbraw/zinc/95/98/02/815959802.db2.gz ADDGKSRMAKPZFO-DGCLKSJQSA-N 0 1 293.298 0.791 20 5 CCBDMN O=C(NC1CN(Cc2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292510 815961359 /nfs/dbraw/zinc/96/13/59/815961359.db2.gz MHIHZTJKOBTFBD-CHWSQXEVSA-N 0 1 293.298 0.791 20 5 CCBDMN COCC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001122316280 816641842 /nfs/dbraw/zinc/64/18/42/816641842.db2.gz GWGJENMEVOBZPM-UHFFFAOYSA-N 0 1 273.314 0.509 20 5 CCBDMN COC(=O)C1(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN(C)CC1 ZINC001168984316 836079836 /nfs/dbraw/zinc/07/98/36/836079836.db2.gz LYHXXLCKGMAGAG-NEPJUHHUSA-N 0 1 299.371 0.659 20 5 CCBDMN CCOC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169012715 836100483 /nfs/dbraw/zinc/10/04/83/836100483.db2.gz RYPUNPJUMKHKHF-IJLUTSLNSA-N 0 1 298.339 0.886 20 5 CCBDMN CN(C)C(=O)CN1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169023279 836115648 /nfs/dbraw/zinc/11/56/48/836115648.db2.gz DYIICKGHURTCEV-OLZOCXBDSA-N 0 1 298.387 0.138 20 5 CCBDMN C[C@H]1CN(C)C(=O)CN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049646 836117163 /nfs/dbraw/zinc/11/71/63/836117163.db2.gz XGVUXUAWUHKMLX-AXFHLTTASA-N 0 1 255.318 0.594 20 5 CCBDMN CN1Cc2cc(NC[C@@H]3COCCN3)cc([N+](=O)[O-])c2N1 ZINC001170045941 836787688 /nfs/dbraw/zinc/78/76/88/836787688.db2.gz CQSYUBHPOJLEBN-LLVKDONJSA-N 0 1 293.327 0.767 20 5 CCBDMN Cc1c[n+]([O-])c(NCC2CN(C)C2)cc1[N+](=O)[O-] ZINC001170252865 837284857 /nfs/dbraw/zinc/28/48/57/837284857.db2.gz QTZNZPOOPNPYTD-UHFFFAOYSA-N 0 1 252.274 0.510 20 5 CCBDMN O=C(NCCc1nc[nH]n1)c1cc([N+](=O)[O-])ccc1F ZINC000080590832 846771022 /nfs/dbraw/zinc/77/10/22/846771022.db2.gz NJPQBDGAISAESX-UHFFFAOYSA-N 0 1 279.231 0.825 20 5 CCBDMN CC(C)=CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001066725203 848423404 /nfs/dbraw/zinc/42/34/04/848423404.db2.gz YZGXAROENLCZAZ-VXGBXAGGSA-N 0 1 297.355 0.925 20 5 CCBDMN CCN1CCn2ncc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])c2C1 ZINC001069860697 853987277 /nfs/dbraw/zinc/98/72/77/853987277.db2.gz FEPOZCYAQCSTGQ-GHMZBOCLSA-N 0 1 293.327 0.000 20 5 CCBDMN COC(=O)CC(C)(C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001117945083 856116563 /nfs/dbraw/zinc/11/65/63/856116563.db2.gz NZGANRQYCXPCEP-HTQZYQBOSA-N 0 1 258.274 0.452 20 5 CCBDMN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N2CCNCC2)n1 ZINC001326018438 913699962 /nfs/dbraw/zinc/69/99/62/913699962.db2.gz MJZPTVKUDSOTDQ-UHFFFAOYSA-N 0 1 294.311 0.417 20 5 CCBDMN Cc1nc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)o1 ZINC001493544019 895630459 /nfs/dbraw/zinc/63/04/59/895630459.db2.gz FWGPUCOJIAUUDR-ZYHUDNBSSA-N 0 1 296.327 0.505 20 5 CCBDMN CN(CCNC(=O)C1(C)CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001528499115 898734994 /nfs/dbraw/zinc/73/49/94/898734994.db2.gz CDAHLEQAVIHMQH-NXEZZACHSA-N 0 1 283.328 0.416 20 5 CCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CCCC1 ZINC001283538783 904900618 /nfs/dbraw/zinc/90/06/18/904900618.db2.gz GIMCDFXYBVQFEL-VXGBXAGGSA-N 0 1 297.355 0.807 20 5 CCBDMN C/C=C(\C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC001284156381 905162529 /nfs/dbraw/zinc/16/25/29/905162529.db2.gz COHUYOWJPDMEBL-GYRBMBFMSA-N 0 1 293.323 0.191 20 5 CCBDMN CCN(CCNC(=O)C(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284601582 905393852 /nfs/dbraw/zinc/39/38/52/905393852.db2.gz PCRJXNHRXQZJGF-NXEZZACHSA-N 0 1 271.317 0.272 20 5 CCBDMN C/C=C(/C)C(=O)N(CC)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296300989 906899513 /nfs/dbraw/zinc/89/95/13/906899513.db2.gz OGYOWXNMPNQLBD-MTUFZTHRSA-N 0 1 283.328 0.583 20 5 CCBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1ncn[nH]1 ZINC001296873935 906969550 /nfs/dbraw/zinc/96/95/50/906969550.db2.gz AQROUUJEPJXLMV-UHFFFAOYSA-N 0 1 289.295 0.957 20 5 CCBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC12CCN(CC1)C2 ZINC001302360986 908017777 /nfs/dbraw/zinc/01/77/77/908017777.db2.gz JYUUPHDEELRDRT-UHFFFAOYSA-N 0 1 294.286 0.894 20 5 CCBDMN C[C@@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)O1 ZINC001302413012 908021234 /nfs/dbraw/zinc/02/12/34/908021234.db2.gz OWWBKRPOHHMXEB-VQVTYTSYSA-N 0 1 254.246 0.614 20 5 CCBDMN CN1CC[C@@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001303900585 908122782 /nfs/dbraw/zinc/12/27/82/908122782.db2.gz UOYSVHHAODDBJY-MRVPVSSYSA-N 0 1 266.257 0.129 20 5 CCBDMN O=C(COc1ccc([N+](=O)[O-])cc1)NCCN1CC=CC1 ZINC001323183632 912163187 /nfs/dbraw/zinc/16/31/87/912163187.db2.gz WMWQNDMUMNULDK-UHFFFAOYSA-N 0 1 291.307 0.962 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CC=CC1 ZINC001329584187 916035357 /nfs/dbraw/zinc/03/53/57/916035357.db2.gz WFBWNZIWWOXXKB-UHFFFAOYSA-N 0 1 293.327 0.478 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC001332039382 917819035 /nfs/dbraw/zinc/81/90/35/917819035.db2.gz ZADWRBFNFCNHNZ-SSDOTTSWSA-N 0 1 277.240 0.936 20 5 CCBDMN O=C(O[C@@H]1CSc2nccn2C1)[C@@H]1CC1[N+](=O)[O-] ZINC001343721591 923443627 /nfs/dbraw/zinc/44/36/27/923443627.db2.gz UTTMEHGPECOHKB-XLPZGREQSA-N 0 1 269.282 0.566 20 5 CCBDMN CC(C)(C)C(C)(C)C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001348934867 924847011 /nfs/dbraw/zinc/84/70/11/924847011.db2.gz ZYIVAHIXIRGHDL-NXEZZACHSA-N 0 1 299.371 0.956 20 5 CCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc[nH]1 ZINC001351466429 925422574 /nfs/dbraw/zinc/42/25/74/925422574.db2.gz KCQYKHOXMOMZRH-MWLCHTKSSA-N 0 1 294.311 0.258 20 5 CCBDMN CNC(=O)c1ccc(OC)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001354674555 926152047 /nfs/dbraw/zinc/15/20/47/926152047.db2.gz XAXRDKUCRDUCPU-PSASIEDQSA-N 0 1 293.279 0.659 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nnc2ccccn21 ZINC001357937712 926612046 /nfs/dbraw/zinc/61/20/46/926612046.db2.gz CZSFWVTUGGXMJZ-DJLDLDEBSA-N 0 1 275.268 0.572 20 5 CCBDMN Cc1nn(C)c(NC[C@H](O)c2cnc[nH]2)c1[N+](=O)[O-] ZINC001559278740 926920416 /nfs/dbraw/zinc/92/04/16/926920416.db2.gz POGCIRYBTVEFQX-QMMMGPOBSA-N 0 1 266.261 0.505 20 5 CCBDMN CC[C@H](C(=O)[O-])[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC001589441926 954731670 /nfs/dbraw/zinc/73/16/70/954731670.db2.gz YMNHJJIEXWXFOX-SNVBAGLBSA-N 0 1 283.284 0.552 20 5 CCBDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC001593967202 956565174 /nfs/dbraw/zinc/56/51/74/956565174.db2.gz FKWKYZAITPLVEA-LLVKDONJSA-N 0 1 284.272 0.172 20 5 CCBDMN COC[C@@]1(C(=O)[O-])CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC001593967202 956565168 /nfs/dbraw/zinc/56/51/68/956565168.db2.gz FKWKYZAITPLVEA-LLVKDONJSA-N 0 1 284.272 0.172 20 5 CCBDMN Cc1nn(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001605440994 973499176 /nfs/dbraw/zinc/49/91/76/973499176.db2.gz RRJXTJOKNHOLGJ-LLVKDONJSA-N 0 1 268.273 0.854 20 5 CCBDMN Cc1nn(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001605440994 973499183 /nfs/dbraw/zinc/49/91/83/973499183.db2.gz RRJXTJOKNHOLGJ-LLVKDONJSA-N 0 1 268.273 0.854 20 5 CCBDMN C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C(=O)[O-] ZINC001598503912 992474315 /nfs/dbraw/zinc/47/43/15/992474315.db2.gz MFELIBYCANLUKZ-UHFFFAOYSA-N 0 1 283.284 0.552 20 5 CCBDMN C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C(=O)[O-])C1 ZINC001598612775 993812237 /nfs/dbraw/zinc/81/22/37/993812237.db2.gz AHENQHAXVWBPMX-MRVPVSSYSA-N 0 1 297.267 0.276 20 5 CCBDMN CNCc1cn(Cc2cc([N+](=O)[O-])ccc2OC)nn1 ZINC000090295345 349435723 /nfs/dbraw/zinc/43/57/23/349435723.db2.gz NSKYGQJTXCEBJZ-UHFFFAOYSA-N 0 1 277.284 0.963 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCc3n[nH]cc3C2)n1 ZINC000091079482 349450135 /nfs/dbraw/zinc/45/01/35/349450135.db2.gz WANIOCXMILHKSL-UHFFFAOYSA-N 0 1 262.273 0.573 20 5 CCBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C(N)=O)O1 ZINC000092005451 349480285 /nfs/dbraw/zinc/48/02/85/349480285.db2.gz ZGJUMFVRYYWMDC-PELKAZGASA-N 0 1 295.295 0.375 20 5 CCBDMN Cc1cc(N2CCC[N@@H+](CC(=O)[O-])CC2)ncc1[N+](=O)[O-] ZINC000092026437 349481027 /nfs/dbraw/zinc/48/10/27/349481027.db2.gz RMVKWVVVANPQPQ-UHFFFAOYSA-N 0 1 294.311 0.895 20 5 CCBDMN CC(=O)NC[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000599705677 361793824 /nfs/dbraw/zinc/79/38/24/361793824.db2.gz ZCXGCTMSZKJEAA-LBPRGKRZSA-N 0 1 295.343 0.782 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000125057441 187167794 /nfs/dbraw/zinc/16/77/94/187167794.db2.gz PNHVCNYSKYVLGM-SECBINFHSA-N 0 1 297.286 0.933 20 5 CCBDMN NC(=O)[C@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000600316644 361926704 /nfs/dbraw/zinc/92/67/04/361926704.db2.gz ARWMNEBANBWTGU-FKQCQYRASA-N 0 1 279.252 0.294 20 5 CCBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000412721904 529580599 /nfs/dbraw/zinc/58/05/99/529580599.db2.gz PPINOKMLQUKGPD-OIBJUYFYSA-N 0 1 270.289 0.843 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000600808842 362066126 /nfs/dbraw/zinc/06/61/26/362066126.db2.gz SVHCMQLTVBRWFA-JTQLQIEISA-N 0 1 295.295 0.097 20 5 CCBDMN Cc1nn(C)c(N2CC(N3CCCC3)C2)c1[N+](=O)[O-] ZINC000601193162 362172018 /nfs/dbraw/zinc/17/20/18/362172018.db2.gz AARALMJPVIKFCU-UHFFFAOYSA-N 0 1 265.317 0.921 20 5 CCBDMN O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000317379563 260206512 /nfs/dbraw/zinc/20/65/12/260206512.db2.gz HIFWOLIHUPOQGN-WCQYABFASA-N 0 1 266.297 0.422 20 5 CCBDMN Cn1cc(CN2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000601973923 362446567 /nfs/dbraw/zinc/44/65/67/362446567.db2.gz DVNCQOYBRSODCF-AOOOYVTPSA-N 0 1 252.274 0.407 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000270548024 190720697 /nfs/dbraw/zinc/72/06/97/190720697.db2.gz IMENYPRRPJHDIB-IONNQARKSA-N 0 1 282.300 0.723 20 5 CCBDMN O=C(N[C@H]1CCO[C@@H]1C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000367248972 232283955 /nfs/dbraw/zinc/28/39/55/232283955.db2.gz QPPOGHIBWMZCKK-OIBJUYFYSA-N 0 1 266.257 0.615 20 5 CCBDMN COCCC[N@H+](C)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000119573891 349942728 /nfs/dbraw/zinc/94/27/28/349942728.db2.gz UXMKGUNPGISIME-UHFFFAOYSA-N 0 1 285.304 0.016 20 5 CCBDMN Cn1cc(CN2CCC[C@@H]2CCO)c([N+](=O)[O-])n1 ZINC000602621624 362716778 /nfs/dbraw/zinc/71/67/78/362716778.db2.gz IJPNLDZSISQMBM-SNVBAGLBSA-N 0 1 254.290 0.675 20 5 CCBDMN CC[C@@]1(O)CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602623029 362718047 /nfs/dbraw/zinc/71/80/47/362718047.db2.gz CRQDYLNATXGXNP-LLVKDONJSA-N 0 1 254.290 0.675 20 5 CCBDMN Cn1cc(CN[C@@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])n1 ZINC000602622125 362718219 /nfs/dbraw/zinc/71/82/19/362718219.db2.gz JWGMMKHALHTYQG-RKDXNWHRSA-N 0 1 254.290 0.577 20 5 CCBDMN CNC(=O)[C@]1(C)CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602641784 362728350 /nfs/dbraw/zinc/72/83/50/362728350.db2.gz DGBHDOGDGLGGGO-GFCCVEGCSA-N 0 1 281.316 0.286 20 5 CCBDMN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000602706864 362761606 /nfs/dbraw/zinc/76/16/06/362761606.db2.gz GQWPXDOTGLGWQH-RKDXNWHRSA-N 0 1 268.317 0.777 20 5 CCBDMN Cn1cc(CN2C[C@H]3COC[C@]3(C)C2)c([N+](=O)[O-])n1 ZINC000602712632 362764502 /nfs/dbraw/zinc/76/45/02/362764502.db2.gz ZHPYIXYOGMRXGY-JQWIXIFHSA-N 0 1 266.301 0.797 20 5 CCBDMN COC(=O)[C@@]1(C)CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1C ZINC000602728071 362775629 /nfs/dbraw/zinc/77/56/29/362775629.db2.gz IFUDPPZVRXCZHQ-ZANVPECISA-N 0 1 296.327 0.959 20 5 CCBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1nnc[nH]1 ZINC000219138695 136952197 /nfs/dbraw/zinc/95/21/97/136952197.db2.gz MVHCDUUODLGAAU-RXMQYKEDSA-N 0 1 251.202 0.797 20 5 CCBDMN CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000034629836 348151434 /nfs/dbraw/zinc/15/14/34/348151434.db2.gz QSHGUVKYBKEEOT-UHFFFAOYSA-N 0 1 287.341 0.825 20 5 CCBDMN C[C@H](CN(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000344904907 137220844 /nfs/dbraw/zinc/22/08/44/137220844.db2.gz HBYBNNANXAQFPY-SSDOTTSWSA-N 0 1 293.370 0.885 20 5 CCBDMN O=C(NC1(CCO)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000349333159 137392003 /nfs/dbraw/zinc/39/20/03/137392003.db2.gz TYDVWFXQQUWCDY-UHFFFAOYSA-N 0 1 266.253 0.945 20 5 CCBDMN C[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000054369644 348554847 /nfs/dbraw/zinc/55/48/47/348554847.db2.gz STICXSNKTOJXHS-QMMMGPOBSA-N 0 1 252.274 0.367 20 5 CCBDMN COC[C@@H](O)CNCc1cc([N+](=O)[O-])ccc1OC ZINC000071272154 348906386 /nfs/dbraw/zinc/90/63/86/348906386.db2.gz RRYLACBODHIGGT-NSHDSACASA-N 0 1 270.285 0.700 20 5 CCBDMN O=C(NCCCNC(=O)C1CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000132339396 350304525 /nfs/dbraw/zinc/30/45/25/350304525.db2.gz UBAZGGYMPYCKIG-UHFFFAOYSA-N 0 1 295.299 0.354 20 5 CCBDMN CCC[C@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC000136590264 350424797 /nfs/dbraw/zinc/42/47/97/350424797.db2.gz UHGFPRGCHHPKDO-NSHDSACASA-N 0 1 284.272 0.780 20 5 CCBDMN COC[C@@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000167915115 350816696 /nfs/dbraw/zinc/81/66/96/350816696.db2.gz BDSUVDBMPPKGSL-LLVKDONJSA-N 0 1 267.285 0.227 20 5 CCBDMN COC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000164803034 350782820 /nfs/dbraw/zinc/78/28/20/350782820.db2.gz NUPWCSGKQSVWOJ-ZETCQYMHSA-N 0 1 254.246 0.473 20 5 CCBDMN O=C(N[C@@H](CCO)c1ccco1)c1n[nH]cc1[N+](=O)[O-] ZINC000187911432 351563239 /nfs/dbraw/zinc/56/32/39/351563239.db2.gz GLWSIBSAVMEKLD-ZETCQYMHSA-N 0 1 280.240 0.764 20 5 CCBDMN COC(=O)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000188704091 351619809 /nfs/dbraw/zinc/61/98/09/351619809.db2.gz HXBSAHJNKPMSJN-UHFFFAOYSA-N 0 1 268.229 0.001 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000236408867 352194410 /nfs/dbraw/zinc/19/44/10/352194410.db2.gz HNUSMMOZDWKKRQ-JTQLQIEISA-N 0 1 265.269 0.313 20 5 CCBDMN O=[N+]([O-])c1cccc(CN2C[C@H](O)C[C@H]2CO)c1 ZINC000245741846 352336575 /nfs/dbraw/zinc/33/65/75/352336575.db2.gz VVJATWHTZMZOHH-NWDGAFQWSA-N 0 1 252.270 0.522 20 5 CCBDMN C[C@H](O)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000265510628 352643411 /nfs/dbraw/zinc/64/34/11/352643411.db2.gz RPGURZRSWXOIDC-ZETCQYMHSA-N 0 1 278.268 0.972 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C)C2=O)c1[N+](=O)[O-] ZINC000265779460 352663202 /nfs/dbraw/zinc/66/32/02/352663202.db2.gz IXPFJNNEOFJGTJ-MRVPVSSYSA-N 0 1 295.299 0.183 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C[C@@H](C)C(=O)NC)c1[N+](=O)[O-] ZINC000267057152 352742000 /nfs/dbraw/zinc/74/20/00/352742000.db2.gz COTBYOODEOJAQS-SSDOTTSWSA-N 0 1 297.315 0.334 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000270393120 352928790 /nfs/dbraw/zinc/92/87/90/352928790.db2.gz SUYDHRSVVFJZOI-QMMMGPOBSA-N 0 1 282.300 0.896 20 5 CCBDMN COCC[C@@](C)(O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272665379 353083956 /nfs/dbraw/zinc/08/39/56/353083956.db2.gz IQYRGDPITDAIII-CYBMUJFWSA-N 0 1 298.295 0.818 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](C)N1CCOCC1 ZINC000152775851 188042841 /nfs/dbraw/zinc/04/28/41/188042841.db2.gz IKEOHUUZBPIQHE-RKDXNWHRSA-N 0 1 297.315 0.157 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CCCCO)c1[N+](=O)[O-] ZINC000278016367 353278139 /nfs/dbraw/zinc/27/81/39/353278139.db2.gz SJPIKSOTSDYNLH-UHFFFAOYSA-N 0 1 270.289 0.725 20 5 CCBDMN C[NH+](C)C1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000278020425 353278321 /nfs/dbraw/zinc/27/83/21/353278321.db2.gz JDKHBYOYPKPFJF-UHFFFAOYSA-N 0 1 266.257 0.081 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC(N)=O)C(C)C)c1[N+](=O)[O-] ZINC000278093523 353282211 /nfs/dbraw/zinc/28/22/11/353282211.db2.gz VTLVWPMHSBWBHR-UHFFFAOYSA-N 0 1 283.288 0.216 20 5 CCBDMN O=C(NCCN1CC=CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000280273611 353352100 /nfs/dbraw/zinc/35/21/00/353352100.db2.gz PTSRPINNBUIUQZ-UHFFFAOYSA-N 0 1 265.273 0.310 20 5 CCBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@](O)(C(N)=O)C1 ZINC000286129952 353563791 /nfs/dbraw/zinc/56/37/91/353563791.db2.gz JYKYCYNBZRPSHH-QMTHXVAHSA-N 0 1 293.323 0.968 20 5 CCBDMN Cc1cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])n[nH]2)n[nH]1 ZINC000286814838 353612550 /nfs/dbraw/zinc/61/25/50/353612550.db2.gz SGVPAKPFNPWZQE-LURJTMIESA-N 0 1 278.272 0.710 20 5 CCBDMN CC[C@H](CO)N1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331073612 354439831 /nfs/dbraw/zinc/43/98/31/354439831.db2.gz VAAJPVLDZQHYLB-LLVKDONJSA-N 0 1 297.359 0.217 20 5 CCBDMN Cc1cn(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)nc1[N+](=O)[O-] ZINC000331127118 354458814 /nfs/dbraw/zinc/45/88/14/354458814.db2.gz OALFXIHPVFAVJV-SDDRHHMPSA-N 0 1 298.343 0.570 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCN2CCOC[C@H]2C1 ZINC000332567032 354698202 /nfs/dbraw/zinc/69/82/02/354698202.db2.gz ZZNADFQCPMESLV-GFCCVEGCSA-N 0 1 293.323 0.817 20 5 CCBDMN NC(=O)C1(NCc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339078238 355483882 /nfs/dbraw/zinc/48/38/82/355483882.db2.gz NPDHUUJKPWHPGJ-UHFFFAOYSA-N 0 1 251.242 0.408 20 5 CCBDMN C[C@@H](O)C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](C)CO ZINC000339115060 355489577 /nfs/dbraw/zinc/48/95/77/355489577.db2.gz YAQLGMVKLVOYIL-NXEZZACHSA-N 0 1 284.312 0.864 20 5 CCBDMN C[C@@H](O)C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](C)CO ZINC000339115060 355489581 /nfs/dbraw/zinc/48/95/81/355489581.db2.gz YAQLGMVKLVOYIL-NXEZZACHSA-N 0 1 284.312 0.864 20 5 CCBDMN O=C(NC1(c2nn[nH]n2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000348277051 355901572 /nfs/dbraw/zinc/90/15/72/355901572.db2.gz QBNQSGCVCFVBNQ-UHFFFAOYSA-N 0 1 274.240 0.527 20 5 CCBDMN Cc1noc(C(C)(C)NC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000352798186 356082720 /nfs/dbraw/zinc/08/27/20/356082720.db2.gz JQILASZSIIOOJH-UHFFFAOYSA-N 0 1 280.244 0.674 20 5 CCBDMN CCC[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1nn[nH]n1 ZINC000360746669 138008943 /nfs/dbraw/zinc/00/89/43/138008943.db2.gz PQFWOIZGLOIYKL-LURJTMIESA-N 0 1 294.275 0.113 20 5 CCBDMN CN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000608778819 363462295 /nfs/dbraw/zinc/46/22/95/363462295.db2.gz QLVJLWALJKEKPI-UHFFFAOYSA-N 0 1 298.368 0.867 20 5 CCBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1nnc[nH]1 ZINC000362617248 138066735 /nfs/dbraw/zinc/06/67/35/138066735.db2.gz MNVCBBQTADHVCT-UHFFFAOYSA-N 0 1 297.221 0.850 20 5 CCBDMN CCNC(=O)CN(C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000609476643 363497814 /nfs/dbraw/zinc/49/78/14/363497814.db2.gz LMOMGBRJGRJSPT-UHFFFAOYSA-N 0 1 283.288 0.088 20 5 CCBDMN Cc1cc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)n[nH]1 ZINC000609594690 363508213 /nfs/dbraw/zinc/50/82/13/363508213.db2.gz DDBGAVBODOKGHM-UHFFFAOYSA-N 0 1 278.272 0.448 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCOCC23CC3)c1[N+](=O)[O-] ZINC000619821312 366360120 /nfs/dbraw/zinc/36/01/20/366360120.db2.gz AMQRUYHAUDZCOY-UHFFFAOYSA-N 0 1 280.284 0.885 20 5 CCBDMN CCn1cnnc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356340064 356748582 /nfs/dbraw/zinc/74/85/82/356748582.db2.gz MENYYPBGFZLRDX-UHFFFAOYSA-N 0 1 291.267 0.842 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCN(C3CC3)C(=O)C2)c1[N+](=O)[O-] ZINC000610497506 363570137 /nfs/dbraw/zinc/57/01/37/363570137.db2.gz MTGXCSLOJYMQHZ-UHFFFAOYSA-N 0 1 293.283 0.073 20 5 CCBDMN O=C(NC[C@@H]1COC2(CCCCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000376830501 357508897 /nfs/dbraw/zinc/50/88/97/357508897.db2.gz CZXLAEKFTFTXHC-GMTAPVOTSA-N 0 1 284.312 0.844 20 5 CCBDMN CC(C)[C@]1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000378037784 357643382 /nfs/dbraw/zinc/64/33/82/357643382.db2.gz IECGDTHDJMUEPI-CKYFFXLPSA-N 0 1 256.302 0.519 20 5 CCBDMN O=[N+]([O-])c1cnccc1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000450798468 236112528 /nfs/dbraw/zinc/11/25/28/236112528.db2.gz ZDOLIVDOVGFHTJ-PHIMTYICSA-N 0 1 278.312 0.687 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000408080173 357907906 /nfs/dbraw/zinc/90/79/06/357907906.db2.gz PRDHTZJCPIMXNF-UHFFFAOYSA-N 0 1 268.273 0.877 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408130594 357930142 /nfs/dbraw/zinc/93/01/42/357930142.db2.gz VTERLYMJICLVBC-WPRPVWTQSA-N 0 1 295.343 0.849 20 5 CCBDMN Cc1ncc2c(n1)CCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000530865580 358428397 /nfs/dbraw/zinc/42/83/97/358428397.db2.gz XIBUSJXRAPPILT-UHFFFAOYSA-N 0 1 288.311 0.948 20 5 CCBDMN COc1ccc(CC(=O)N2CCN[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000571204330 358922671 /nfs/dbraw/zinc/92/26/71/358922671.db2.gz UJGWFJIUBHLNNV-JTQLQIEISA-N 0 1 293.323 0.966 20 5 CCBDMN CCN1CC(=O)N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000189888642 535442578 /nfs/dbraw/zinc/44/25/78/535442578.db2.gz QBSIVQWVPXPQEZ-GFCCVEGCSA-N 0 1 281.268 0.759 20 5 CCBDMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000573976888 359017878 /nfs/dbraw/zinc/01/78/78/359017878.db2.gz KWWFZXDKNCWKQU-SCVCMEIPSA-N 0 1 294.311 0.976 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588864039 359343704 /nfs/dbraw/zinc/34/37/04/359343704.db2.gz XJMULBFJRDUIGB-NXEZZACHSA-N 0 1 295.295 0.469 20 5 CCBDMN C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590402753 359454355 /nfs/dbraw/zinc/45/43/55/359454355.db2.gz FENJZXWCVFHNAJ-WPRPVWTQSA-N 0 1 294.311 0.860 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)c1[N+](=O)[O-] ZINC000590421139 359457386 /nfs/dbraw/zinc/45/73/86/359457386.db2.gz BYOJWTNXYFAGOT-BRPSZJMVSA-N 0 1 294.311 0.752 20 5 CCBDMN Nc1ccc(NCCN2CCCOCC2)nc1[N+](=O)[O-] ZINC000590582644 359490278 /nfs/dbraw/zinc/49/02/78/359490278.db2.gz BGDHOPGJBGYIKJ-UHFFFAOYSA-N 0 1 281.316 0.128 20 5 CCBDMN C[C@@H]1[C@H](O)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000590881105 359534760 /nfs/dbraw/zinc/53/47/60/359534760.db2.gz NDINHIUEEBIXKG-RDDDGLTNSA-N 0 1 266.253 0.896 20 5 CCBDMN CC[C@@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000296917989 200034764 /nfs/dbraw/zinc/03/47/64/200034764.db2.gz LLNDOANAOYWHAS-SECBINFHSA-N 0 1 281.316 0.874 20 5 CCBDMN COc1ccc(Cn2nnnc2CN)cc1[N+](=O)[O-] ZINC000592172851 359776866 /nfs/dbraw/zinc/77/68/66/359776866.db2.gz GPOGNPGXXWDEJK-UHFFFAOYSA-N 0 1 264.245 0.097 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611196051 363678738 /nfs/dbraw/zinc/67/87/38/363678738.db2.gz VLWSGQDLTUQFLD-UHFFFAOYSA-N 0 1 287.239 0.519 20 5 CCBDMN C[C@@H]1[C@H](C)N(C)CCN1c1c([N+](=O)[O-])ncn1C ZINC000611299148 363704487 /nfs/dbraw/zinc/70/44/87/363704487.db2.gz RLOQCLQEFUBTCZ-DTWKUNHWSA-N 0 1 253.306 0.857 20 5 CCBDMN C[C@@H]1SCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592904523 359973865 /nfs/dbraw/zinc/97/38/65/359973865.db2.gz RQYMJUSXEXKMIP-NTSWFWBYSA-N 0 1 256.287 0.942 20 5 CCBDMN Cn1nccc1[C@@H](CO)NCc1cc(O)ccc1[N+](=O)[O-] ZINC000593032874 360018529 /nfs/dbraw/zinc/01/85/29/360018529.db2.gz FHAGQBUWNIGBKC-LLVKDONJSA-N 0 1 292.295 0.857 20 5 CCBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000593187614 360051113 /nfs/dbraw/zinc/05/11/13/360051113.db2.gz OUJIDFCPZVMJHQ-OPRDCNLKSA-N 0 1 296.331 0.126 20 5 CCBDMN O=[N+]([O-])c1ccccc1CN1CC(N2CC[C@@H](O)C2)C1 ZINC000593679838 360133702 /nfs/dbraw/zinc/13/37/02/360133702.db2.gz MVHFGWRFDCMVEP-CYBMUJFWSA-N 0 1 277.324 0.846 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1[N+](=O)[O-] ZINC000593870571 360184143 /nfs/dbraw/zinc/18/41/43/360184143.db2.gz QWJLZGKPPHSZEE-QZDOCOPUSA-N 0 1 298.324 0.226 20 5 CCBDMN CCNCc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594653480 360353029 /nfs/dbraw/zinc/35/30/29/360353029.db2.gz WFZCQTBTVWPJPQ-UHFFFAOYSA-N 0 1 263.257 0.991 20 5 CCBDMN O=C([O-])[C@@H]1CSCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595280396 360476276 /nfs/dbraw/zinc/47/62/76/360476276.db2.gz GJXFIIXGFLSRRM-QMMMGPOBSA-N 0 1 286.313 0.293 20 5 CCBDMN O=C([O-])[C@H]1CSCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595280394 360476334 /nfs/dbraw/zinc/47/63/34/360476334.db2.gz GJXFIIXGFLSRRM-MRVPVSSYSA-N 0 1 286.313 0.293 20 5 CCBDMN CN(CC1CN(C)C1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596454266 360899444 /nfs/dbraw/zinc/89/94/44/360899444.db2.gz RXMIKXYXWMONHM-UHFFFAOYSA-N 0 1 251.290 0.570 20 5 CCBDMN CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179496444 189197906 /nfs/dbraw/zinc/19/79/06/189197906.db2.gz UFRRPMIOYBKALY-UHFFFAOYSA-N 0 1 267.285 0.982 20 5 CCBDMN COC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCOCC1 ZINC000597921052 361283461 /nfs/dbraw/zinc/28/34/61/361283461.db2.gz DLCPWEYXJOCKMN-VIFPVBQESA-N 0 1 298.299 0.489 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000598164665 361346155 /nfs/dbraw/zinc/34/61/55/361346155.db2.gz UCUWOJPKJMHLCM-UHFFFAOYSA-N 0 1 264.285 0.623 20 5 CCBDMN COC(=O)c1ccnc(N(C)CC2CN(C)C2)c1[N+](=O)[O-] ZINC000598633277 361468370 /nfs/dbraw/zinc/46/83/70/361468370.db2.gz JIUYGYZLMAYVTE-UHFFFAOYSA-N 0 1 294.311 0.774 20 5 CCBDMN O=[N+]([O-])c1ccccc1CNCC[N@H+]1CC[C@@H](O)C1 ZINC000599007185 361552985 /nfs/dbraw/zinc/55/29/85/361552985.db2.gz BVYRURWMJYJVBY-GFCCVEGCSA-N 0 1 265.313 0.751 20 5 CCBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCOC[C@H]2O)c(F)c1 ZINC000599012757 361555684 /nfs/dbraw/zinc/55/56/84/361555684.db2.gz VUZXGUGGHVFEBO-VXGBXAGGSA-N 0 1 270.260 0.973 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000599290807 361636894 /nfs/dbraw/zinc/63/68/94/361636894.db2.gz CLPVDUVDWFNSOQ-SRSLHRDFSA-N 0 1 286.313 0.405 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1NCCN1CCCOCC1 ZINC000275442238 193038304 /nfs/dbraw/zinc/03/83/04/193038304.db2.gz KHGXQBXSCITQOV-UHFFFAOYSA-N 0 1 269.305 0.463 20 5 CCBDMN CC[C@@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCOC1 ZINC000616689430 365427372 /nfs/dbraw/zinc/42/73/72/365427372.db2.gz AUFNWDDNJPVGJV-SNVBAGLBSA-N 0 1 254.246 0.617 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)[C@@H]2CO)c1[N+](=O)[O-] ZINC000276000133 193184967 /nfs/dbraw/zinc/18/49/67/193184967.db2.gz OFNCYRBEMJZCRD-XPUUQOCRSA-N 0 1 268.273 0.469 20 5 CCBDMN CCN(C)C(=O)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000276582424 193389129 /nfs/dbraw/zinc/38/91/29/193389129.db2.gz JSSKWLHCWZFUNM-QMMMGPOBSA-N 0 1 295.295 0.897 20 5 CCBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@](O)(CO)C2)cc1 ZINC000313645017 249000202 /nfs/dbraw/zinc/00/02/02/249000202.db2.gz URANDLUVSMWXBH-ZDUSSCGKSA-N 0 1 266.297 0.914 20 5 CCBDMN COC[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299573811 285204338 /nfs/dbraw/zinc/20/43/38/285204338.db2.gz WOHFDCXGRLGSGN-ZCFIWIBFSA-N 0 1 256.262 0.733 20 5 CCBDMN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCNCC1 ZINC000089063938 389015108 /nfs/dbraw/zinc/01/51/08/389015108.db2.gz IEMVOZQXKDXXJX-UHFFFAOYSA-N 0 1 253.233 0.779 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1nnc[nH]1 ZINC000192611964 389045871 /nfs/dbraw/zinc/04/58/71/389045871.db2.gz ZLUOFKXBZDWWPP-UHFFFAOYSA-N 0 1 265.277 0.874 20 5 CCBDMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Cn1cccn1 ZINC000136277242 389265880 /nfs/dbraw/zinc/26/58/80/389265880.db2.gz GFHUKEWEANYCML-MRVPVSSYSA-N 0 1 278.272 0.581 20 5 CCBDMN C[C@H]1CCOCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000367670156 389344070 /nfs/dbraw/zinc/34/40/70/389344070.db2.gz ZLTIRQCFULMJQC-NSHDSACASA-N 0 1 281.312 0.867 20 5 CCBDMN COCCN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000264565844 389336866 /nfs/dbraw/zinc/33/68/66/389336866.db2.gz RNDMNBBHLSNVPD-SECBINFHSA-N 0 1 297.315 0.077 20 5 CCBDMN COCC[N@@H+]1CC[C@@H](NC(=O)c2[n-]nc(C)c2[N+](=O)[O-])C1 ZINC000264565844 389336868 /nfs/dbraw/zinc/33/68/68/389336868.db2.gz RNDMNBBHLSNVPD-SECBINFHSA-N 0 1 297.315 0.077 20 5 CCBDMN COCC[N@H+]1CC[C@@H](NC(=O)c2[n-]nc(C)c2[N+](=O)[O-])C1 ZINC000264565844 389336871 /nfs/dbraw/zinc/33/68/71/389336871.db2.gz RNDMNBBHLSNVPD-SECBINFHSA-N 0 1 297.315 0.077 20 5 CCBDMN C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)N1 ZINC000153232337 389297616 /nfs/dbraw/zinc/29/76/16/389297616.db2.gz VNXHCHXANCMUFC-IUCAKERBSA-N 0 1 267.289 0.000 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](CO)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000421939843 389386075 /nfs/dbraw/zinc/38/60/75/389386075.db2.gz XMGCWXIUUJPCJS-QMMMGPOBSA-N 0 1 298.299 0.238 20 5 CCBDMN COc1cccc(C(=O)N2CCNCC2)c1[N+](=O)[O-] ZINC000422708183 389456419 /nfs/dbraw/zinc/45/64/19/389456419.db2.gz XIOYMQJCYNLKEN-UHFFFAOYSA-N 0 1 265.269 0.649 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000351913621 389712976 /nfs/dbraw/zinc/71/29/76/389712976.db2.gz UVONGIOXVHFIDY-VXNVDRBHSA-N 0 1 282.300 0.723 20 5 CCBDMN COCCO[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000179355529 389653351 /nfs/dbraw/zinc/65/33/51/389653351.db2.gz NMOWPXCSSGWSRL-GFCCVEGCSA-N 0 1 298.343 0.919 20 5 CCBDMN COCCO[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000179355529 389653353 /nfs/dbraw/zinc/65/33/53/389653353.db2.gz NMOWPXCSSGWSRL-GFCCVEGCSA-N 0 1 298.343 0.919 20 5 CCBDMN Cc1nn(C)c(C(=O)N2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000408070699 389824057 /nfs/dbraw/zinc/82/40/57/389824057.db2.gz HPGVIPWISHUUCI-UHFFFAOYSA-N 0 1 281.316 0.414 20 5 CCBDMN COc1cccc(C(=O)N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000444320838 389901714 /nfs/dbraw/zinc/90/17/14/389901714.db2.gz RZJACYPKISHEGW-UHFFFAOYSA-N 0 1 279.296 0.989 20 5 CCBDMN CN1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@H]21 ZINC000579093049 390139702 /nfs/dbraw/zinc/13/97/02/390139702.db2.gz WPOIGPPUVPWVFO-HTQZYQBOSA-N 0 1 270.314 0.571 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN[C@H](C)C2)n1 ZINC000580189485 390227053 /nfs/dbraw/zinc/22/70/53/390227053.db2.gz QHYDBFQLPOXINY-MRVPVSSYSA-N 0 1 267.289 0.245 20 5 CCBDMN NC(=O)OCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000495237984 390227249 /nfs/dbraw/zinc/22/72/49/390227249.db2.gz NDYTYYGUZXYQSF-UHFFFAOYSA-N 0 1 269.213 0.540 20 5 CCBDMN C[S@@](=O)C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000281971840 195457520 /nfs/dbraw/zinc/45/75/20/195457520.db2.gz PBJWVEJIPDBYAG-HXUWFJFHSA-N 0 1 298.320 0.941 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000555669725 390461658 /nfs/dbraw/zinc/46/16/58/390461658.db2.gz APOKZBMMTFOCAY-AAEUAGOBSA-N 0 1 296.323 0.649 20 5 CCBDMN Cn1nccc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525699526 390665107 /nfs/dbraw/zinc/66/51/07/390665107.db2.gz SSKXECDGBLHGQD-UHFFFAOYSA-N 0 1 297.296 0.202 20 5 CCBDMN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC000237891818 131064357 /nfs/dbraw/zinc/06/43/57/131064357.db2.gz RTOOLAHSOBBDJZ-GFCCVEGCSA-N 0 1 279.296 0.242 20 5 CCBDMN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCNCC1 ZINC000238054114 131074607 /nfs/dbraw/zinc/07/46/07/131074607.db2.gz AETSCHCOFUNELJ-UHFFFAOYSA-N 0 1 278.312 0.829 20 5 CCBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1=O ZINC000269128366 132116936 /nfs/dbraw/zinc/11/69/36/132116936.db2.gz AEACYBXIDXQFFV-LLVKDONJSA-N 0 1 293.279 0.603 20 5 CCBDMN CCOC(=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269197399 132129242 /nfs/dbraw/zinc/12/92/42/132129242.db2.gz QJNACGKEGCDNHI-UHFFFAOYSA-N 0 1 282.252 0.983 20 5 CCBDMN CC(C)NC(=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269265687 132146833 /nfs/dbraw/zinc/14/68/33/132146833.db2.gz DCRNWKPMRCPZHV-UHFFFAOYSA-N 0 1 295.295 0.945 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000356757512 144030484 /nfs/dbraw/zinc/03/04/84/144030484.db2.gz AOKYLNWHPQGDHZ-HQJQHLMTSA-N 0 1 266.253 0.753 20 5 CCBDMN C[C@H]1[C@H](C)N(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000356886849 144040997 /nfs/dbraw/zinc/04/09/97/144040997.db2.gz TVCCGXGOCBJCNQ-UWVGGRQHSA-N 0 1 281.316 0.342 20 5 CCBDMN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000357907060 144132279 /nfs/dbraw/zinc/13/22/79/144132279.db2.gz HDSYSPXQPSWCPJ-VIFPVBQESA-N 0 1 281.316 0.495 20 5 CCBDMN C[N@@H+](CC(=O)[O-])Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000035304991 172118257 /nfs/dbraw/zinc/11/82/57/172118257.db2.gz HNXWQESDJUAGOY-UHFFFAOYSA-N 0 1 267.241 0.210 20 5 CCBDMN Cc1ccnc(NCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000039956582 174179078 /nfs/dbraw/zinc/17/90/78/174179078.db2.gz FZAUSTLILBFASM-UHFFFAOYSA-N 0 1 279.344 0.958 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1C ZINC000356704675 276240082 /nfs/dbraw/zinc/24/00/82/276240082.db2.gz BPGBUJXHTOXWCN-NXEZZACHSA-N 0 1 295.343 0.883 20 5 CCBDMN CCC[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423499824 276277241 /nfs/dbraw/zinc/27/72/41/276277241.db2.gz BDJNERAMTSEIRJ-MRVPVSSYSA-N 0 1 267.289 0.532 20 5 CCBDMN CN1CC[C@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000373277492 277163718 /nfs/dbraw/zinc/16/37/18/277163718.db2.gz YNLHWRCDNGFWQQ-NSHDSACASA-N 0 1 293.327 0.659 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](N2CC=CC2)C1 ZINC000266207949 279385252 /nfs/dbraw/zinc/38/52/52/279385252.db2.gz FMBPIPDDQNKLJC-SNVBAGLBSA-N 0 1 263.301 0.779 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000265233832 280187743 /nfs/dbraw/zinc/18/77/43/280187743.db2.gz HTUUXFDANYGJHO-UHFFFAOYSA-N 0 1 267.289 0.404 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000265233832 280187748 /nfs/dbraw/zinc/18/77/48/280187748.db2.gz HTUUXFDANYGJHO-UHFFFAOYSA-N 0 1 267.289 0.404 20 5 CCBDMN CC(C)[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000582180158 328613435 /nfs/dbraw/zinc/61/34/35/328613435.db2.gz YKLJOXANLODOIN-UHFFFAOYSA-N 0 1 282.300 0.813 20 5 CCBDMN C[C@H]1[C@H](CO)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000386209496 336168187 /nfs/dbraw/zinc/16/81/87/336168187.db2.gz DDNDRKLSWSZLQU-CABZTGNLSA-N 0 1 293.323 0.896 20 5 CCBDMN CNc1c(C(=O)NCCc2nc[nH]n2)cccc1[N+](=O)[O-] ZINC000161495950 522537833 /nfs/dbraw/zinc/53/78/33/522537833.db2.gz HDCBSUZBABQPEN-UHFFFAOYSA-N 0 1 290.283 0.727 20 5 CCBDMN Cc1nn(C)c(NC[C@@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC000068806643 527679210 /nfs/dbraw/zinc/67/92/10/527679210.db2.gz IIDVDQHFTGBNKT-SNVBAGLBSA-N 0 1 282.348 0.294 20 5 CCBDMN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000795457510 581329590 /nfs/dbraw/zinc/32/95/90/581329590.db2.gz HXFDOAWDFFNGCX-UHFFFAOYSA-N 0 1 263.213 0.773 20 5 CCBDMN CCc1cc(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])n[nH]1 ZINC000732792099 581848858 /nfs/dbraw/zinc/84/88/58/581848858.db2.gz XLVXUIRHDGFWMZ-UHFFFAOYSA-N 0 1 278.272 0.842 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC[C@H]1CCO ZINC000773522537 581930965 /nfs/dbraw/zinc/93/09/65/581930965.db2.gz VERDXWSDWPSAEF-SNVBAGLBSA-N 0 1 296.279 0.524 20 5 CCBDMN Cc1cc(C(=O)Nc2c[nH]nn2)c(N)c([N+](=O)[O-])c1 ZINC000790062286 582103428 /nfs/dbraw/zinc/10/34/28/582103428.db2.gz HVLZTEAVDPCWSG-UHFFFAOYSA-N 0 1 262.229 0.856 20 5 CCBDMN CC[C@@H](C)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000922801922 615467291 /nfs/dbraw/zinc/46/72/91/615467291.db2.gz FERWERRLBASDHP-FNCVBFRFSA-N 0 1 259.258 0.783 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1NC(=O)[O-] ZINC000826059088 603996455 /nfs/dbraw/zinc/99/64/55/603996455.db2.gz RRRBTJJZQSXPCR-KOLCDFICSA-N 0 1 297.315 0.769 20 5 CCBDMN COc1ccc([C@H](CCO)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839716480 617281160 /nfs/dbraw/zinc/28/11/60/617281160.db2.gz PISDOGMDXHFYLK-FRRDWIJNSA-N 0 1 294.307 0.900 20 5 CCBDMN CC(C)CN(C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840673042 614063940 /nfs/dbraw/zinc/06/39/40/614063940.db2.gz QHBCUZYFQAMAFQ-GHMZBOCLSA-N 0 1 284.312 0.842 20 5 CCBDMN CC1CCC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000856473076 614424178 /nfs/dbraw/zinc/42/41/78/614424178.db2.gz JWXWGXXUROZZSK-WDHPUFTPSA-N 0 1 256.302 0.709 20 5 CCBDMN CC1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCC1 ZINC000974116256 614490292 /nfs/dbraw/zinc/49/02/92/614490292.db2.gz YUPRDHMTOUEXLB-LMLFDSFASA-N 0 1 295.339 0.605 20 5 CCBDMN CCC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000943065146 614521942 /nfs/dbraw/zinc/52/19/42/614521942.db2.gz YVKCGFBOFZCLJI-NXEZZACHSA-N 0 1 269.301 0.169 20 5 CCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2CCC2)C1 ZINC000967950834 614651231 /nfs/dbraw/zinc/65/12/31/614651231.db2.gz XPDJMNNRZWTGPM-VXGBXAGGSA-N 0 1 295.339 0.511 20 5 CCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C(=O)OC ZINC000886431260 614651376 /nfs/dbraw/zinc/65/13/76/614651376.db2.gz NTQKMSRPURSZNX-HTQZYQBOSA-N 0 1 258.274 0.452 20 5 CCBDMN CCCC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956368029 614730899 /nfs/dbraw/zinc/73/08/99/614730899.db2.gz DPGKEXCFCYNQEA-GHMZBOCLSA-N 0 1 297.355 0.949 20 5 CCBDMN CCCCCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673215 614923983 /nfs/dbraw/zinc/92/39/83/614923983.db2.gz UFAHATLSGUMKJD-OPRDCNLKSA-N 0 1 272.301 0.890 20 5 CCBDMN CCCCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000839702101 614938166 /nfs/dbraw/zinc/93/81/66/614938166.db2.gz UCRXXTVBKXVDNW-KXUCPTDWSA-N 0 1 272.301 0.890 20 5 CCBDMN CCN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(C)=O ZINC000936414738 615017750 /nfs/dbraw/zinc/01/77/50/615017750.db2.gz JTSXCQRGAXCBNP-CHWSQXEVSA-N 0 1 297.355 0.759 20 5 CCBDMN CCC[C@H](C)NC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673416 615039610 /nfs/dbraw/zinc/03/96/10/615039610.db2.gz YNKPHUYAQACQNT-AXTSPUMRSA-N 0 1 272.301 0.888 20 5 CCBDMN CCN1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000935931152 615149674 /nfs/dbraw/zinc/14/96/74/615149674.db2.gz YESNNTROSIMMHF-JTQLQIEISA-N 0 1 295.343 0.652 20 5 CCBDMN CCOC(=O)C1=CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000862878683 615166234 /nfs/dbraw/zinc/16/62/34/615166234.db2.gz VKMXERGHMIEBPS-QMMMGPOBSA-N 0 1 294.267 0.700 20 5 CCBDMN CCOC(=O)CN(CC(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840306401 615188655 /nfs/dbraw/zinc/18/86/55/615188655.db2.gz TZNLENLGGJPFMA-RNFRBKRXSA-N 0 1 298.217 0.606 20 5 CCBDMN CN(C)C(=O)OCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000855651490 615990358 /nfs/dbraw/zinc/99/03/58/615990358.db2.gz QRRQNZKWNZQLIE-UHFFFAOYSA-N 0 1 297.267 0.728 20 5 CCBDMN CN(Cc1cccnc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000886157497 616082177 /nfs/dbraw/zinc/08/21/77/616082177.db2.gz CJQCDMNDVBGLGT-UHFFFAOYSA-N 0 1 281.312 0.963 20 5 CCBDMN CN(CCc1nnnn1C)Cc1ccccc1[N+](=O)[O-] ZINC000877917554 616127445 /nfs/dbraw/zinc/12/74/45/616127445.db2.gz XKIDGMLHRRGMJV-UHFFFAOYSA-N 0 1 276.300 0.793 20 5 CCBDMN CN1C(=O)Cc2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])ccc21 ZINC000900876722 616144770 /nfs/dbraw/zinc/14/47/70/616144770.db2.gz XLWRQLAAQYILQT-ZYHUDNBSSA-N 0 1 289.291 0.487 20 5 CCBDMN CN1CCN(C)CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000888993933 616236188 /nfs/dbraw/zinc/23/61/88/616236188.db2.gz MTPHABUXZHWEML-UHFFFAOYSA-N 0 1 295.343 0.242 20 5 CCBDMN CNC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000830613230 616595212 /nfs/dbraw/zinc/59/52/12/616595212.db2.gz WZAUJCUJKJMYRX-VXGBXAGGSA-N 0 1 291.307 0.426 20 5 CCBDMN COC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000894822903 616892446 /nfs/dbraw/zinc/89/24/46/616892446.db2.gz WNYGTGRXYIIGNK-LNFKQOIKSA-N 0 1 272.301 0.209 20 5 CCBDMN COC(=O)c1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000847122691 616935481 /nfs/dbraw/zinc/93/54/81/616935481.db2.gz UFTVAYISAXEMKV-GHMZBOCLSA-N 0 1 278.264 0.755 20 5 CCBDMN COC(=O)[C@@H](CC(C)C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842306165 616956069 /nfs/dbraw/zinc/95/60/69/616956069.db2.gz GLAXTZJEGXMRPG-IWSPIJDZSA-N 0 1 259.258 0.783 20 5 CCBDMN COC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1F ZINC000840392935 617013011 /nfs/dbraw/zinc/01/30/11/617013011.db2.gz QUMGPTUKIFUTNX-IEBDPFPHSA-N 0 1 296.254 0.821 20 5 CCBDMN CON(C)C(=O)[C@@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863586379 617053879 /nfs/dbraw/zinc/05/38/79/617053879.db2.gz FUKOQIBTTHXQCD-SKDRFNHKSA-N 0 1 297.311 0.626 20 5 CCBDMN CO[C@@H](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000839733248 617162870 /nfs/dbraw/zinc/16/28/70/617162870.db2.gz IWLHBGKKJBOHRI-QYNIQEEDSA-N 0 1 270.207 0.735 20 5 CCBDMN O=C(N[C@@H]1C[C@H](NC(=O)C2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000973778359 625287328 /nfs/dbraw/zinc/28/73/28/625287328.db2.gz AGUGGEXUWRUBAG-LMLFDSFASA-N 0 1 281.312 0.215 20 5 CCBDMN C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000892179146 622648667 /nfs/dbraw/zinc/64/86/67/622648667.db2.gz HJFNUJCYFJSKPJ-VVULQXIFSA-N 0 1 269.301 0.118 20 5 CCBDMN O=[N+]([O-])CCNCc1ccccc1CN1CCOCC1 ZINC000905023244 634787491 /nfs/dbraw/zinc/78/74/91/634787491.db2.gz GLNZHJRKYXUKCU-UHFFFAOYSA-N 0 1 279.340 0.885 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000894075016 631510704 /nfs/dbraw/zinc/51/07/04/631510704.db2.gz DSJCWQMUIWDIQP-AOOOYVTPSA-N 0 1 281.316 0.603 20 5 CCBDMN Cn1c(Cl)cnc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673092 631709939 /nfs/dbraw/zinc/70/99/39/631709939.db2.gz QSYJCEABWWRKCY-PHDIDXHHSA-N 0 1 259.649 0.782 20 5 CCBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCCCC1 ZINC000840673437 631714271 /nfs/dbraw/zinc/71/42/71/631714271.db2.gz ZFZJFIRKPHAPNC-IVZWLZJFSA-N 0 1 270.285 0.596 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H](N2CCC2)C1 ZINC000912920102 636703086 /nfs/dbraw/zinc/70/30/86/636703086.db2.gz RISVPXMTUPLOOW-VIFPVBQESA-N 0 1 264.285 0.843 20 5 CCBDMN CCCC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001796533 639339858 /nfs/dbraw/zinc/33/98/58/639339858.db2.gz RLVIYILSRIJPDU-NXEZZACHSA-N 0 1 269.301 0.026 20 5 CCBDMN COc1ccccc1[C@@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839526197 640317328 /nfs/dbraw/zinc/31/73/28/640317328.db2.gz BEUIPWOQTOTRRX-MXWKQRLJSA-N 0 1 280.280 0.510 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(Oc2ccncc2)C1 ZINC000839640333 640349878 /nfs/dbraw/zinc/34/98/78/640349878.db2.gz JTFCTZIXENIACU-GHMZBOCLSA-N 0 1 263.253 0.336 20 5 CCBDMN C[C@H](N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(F)(F)F ZINC000839697954 640352080 /nfs/dbraw/zinc/35/20/80/640352080.db2.gz KPJMMFTVQVRICN-DJLDLDEBSA-N 0 1 295.261 0.747 20 5 CCBDMN O=C(Nc1cccc(-n2ccnn2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839706428 640355048 /nfs/dbraw/zinc/35/50/48/640355048.db2.gz NSBXJMNWUSZLIE-GHMZBOCLSA-N 0 1 273.252 0.871 20 5 CCBDMN Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839716999 640356625 /nfs/dbraw/zinc/35/66/25/640356625.db2.gz FOLFLOFZQRGIRS-GMTAPVOTSA-N 0 1 294.311 0.592 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](OC(F)F)C1 ZINC000839722616 640357828 /nfs/dbraw/zinc/35/78/28/640357828.db2.gz ZDUKWAYTFNGPMG-XLPZGREQSA-N 0 1 264.228 0.882 20 5 CCBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1OCCO ZINC000839723890 640357980 /nfs/dbraw/zinc/35/79/80/640357980.db2.gz XOOQGHYXRMVBTC-GHMZBOCLSA-N 0 1 280.280 0.970 20 5 CCBDMN Cn1cc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C(F)(F)F)cn1 ZINC000839746659 640361364 /nfs/dbraw/zinc/36/13/64/640361364.db2.gz ZFSUJHBNKFRKJG-PRJMDXOYSA-N 0 1 292.217 0.805 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000839783733 640364080 /nfs/dbraw/zinc/36/40/80/640364080.db2.gz LDFDZTOOLIENDC-LZQZFOIKSA-N 0 1 268.313 0.804 20 5 CCBDMN C[C@@H](c1ccccc1)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(N)=O ZINC000839777598 640364398 /nfs/dbraw/zinc/36/43/98/640364398.db2.gz TZGFQQHADUGFSI-JTLRNRKASA-N 0 1 291.307 0.425 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@]2(CCOC2)C1 ZINC000839788311 640365400 /nfs/dbraw/zinc/36/54/00/640365400.db2.gz FQSOODGESVEEPK-CKYFFXLPSA-N 0 1 254.286 0.681 20 5 CCBDMN O=C(N[C@@H]([C@@H](CO)C1CC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839784020 640365887 /nfs/dbraw/zinc/36/58/87/640365887.db2.gz YZIIKYQYCXQFPG-WRWGMCAJSA-N 0 1 268.313 0.565 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](CO)[C@H](O)C2)c1 ZINC000808751851 640878175 /nfs/dbraw/zinc/87/81/75/640878175.db2.gz NBUNKTRXBMVLBF-MRVWCRGKSA-N 0 1 296.323 0.303 20 5 CCBDMN C[C@@]1(CCCO)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840408363 641557815 /nfs/dbraw/zinc/55/78/15/641557815.db2.gz DKBPCMBQJDSIQN-FOGDFJRCSA-N 0 1 256.302 0.805 20 5 CCBDMN O=[N+]([O-])c1ncn(Cc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000821073186 641563353 /nfs/dbraw/zinc/56/33/53/641563353.db2.gz DCJPRNPREPDASL-UHFFFAOYSA-N 0 1 265.185 0.848 20 5 CCBDMN O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3COCCN3)n2)o1 ZINC000823270166 641752523 /nfs/dbraw/zinc/75/25/23/641752523.db2.gz ODDTWOGNJKRGBX-SSDOTTSWSA-N 0 1 280.240 0.769 20 5 CCBDMN O=[N+]([O-])c1ccc(-c2noc(C[C@H]3COCCN3)n2)o1 ZINC000823270167 641752595 /nfs/dbraw/zinc/75/25/95/641752595.db2.gz ODDTWOGNJKRGBX-ZETCQYMHSA-N 0 1 280.240 0.769 20 5 CCBDMN O=C(COC(=O)c1ccc([N+](=O)[O-])[nH]1)NC1CC1 ZINC000835923327 642678032 /nfs/dbraw/zinc/67/80/32/642678032.db2.gz JCBAEIOUNYGAGK-UHFFFAOYSA-N 0 1 253.214 0.358 20 5 CCBDMN O=C(NC[C@@]1(CO)CCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000846345721 643398593 /nfs/dbraw/zinc/39/85/93/643398593.db2.gz XSRMQMPMYLBMAU-UXIGCNINSA-N 0 1 290.319 0.644 20 5 CCBDMN O=C(NCc1cc(Br)no1)[C@@H]1CC1[N+](=O)[O-] ZINC000854709246 644252534 /nfs/dbraw/zinc/25/25/34/644252534.db2.gz SAFGTLINSQUTAN-PHDIDXHHSA-N 0 1 290.073 0.719 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](CN2CCCC2=O)C1 ZINC000856178158 644398548 /nfs/dbraw/zinc/39/85/48/644398548.db2.gz XQRIULADDAVGAR-HBNTYKKESA-N 0 1 281.312 0.123 20 5 CCBDMN O=C(NCC1(O)CCC(F)(F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000856205321 644399725 /nfs/dbraw/zinc/39/97/25/644399725.db2.gz VDHYYQQEWAMCQL-HTQZYQBOSA-N 0 1 278.255 0.708 20 5 CCBDMN O=[N+]([O-])c1ccc(NCCN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000858811564 644651137 /nfs/dbraw/zinc/65/11/37/644651137.db2.gz DIDNHCMNGOFNFE-SNVBAGLBSA-N 0 1 296.283 0.982 20 5 CCBDMN NC(=O)N1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000860979336 644843697 /nfs/dbraw/zinc/84/36/97/644843697.db2.gz WPKUCHVECJZDAM-ZETCQYMHSA-N 0 1 282.256 0.623 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCCCNC(=O)CC1 ZINC000870514739 646004101 /nfs/dbraw/zinc/00/41/01/646004101.db2.gz UKVLAMDMSCHCFL-GHMZBOCLSA-N 0 1 283.328 0.561 20 5 CCBDMN O=[N+]([O-])c1cccc(CN[C@@H]2CCS(=O)(=O)C2)c1 ZINC000020038542 646397914 /nfs/dbraw/zinc/39/79/14/646397914.db2.gz KLEUYWKBWUBGOO-SNVBAGLBSA-N 0 1 270.310 0.872 20 5 CCBDMN O=C(NC[C@@H](O)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000125802816 646584249 /nfs/dbraw/zinc/58/42/49/646584249.db2.gz PLZPWYPXYIIWDR-SNVBAGLBSA-N 0 1 276.252 0.781 20 5 CCBDMN O=C(N[C@@H]1CCC[C@]12CCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000882592795 647421071 /nfs/dbraw/zinc/42/10/71/647421071.db2.gz BFPOVNHPMDLEEO-BFLSOPEQSA-N 0 1 254.286 0.870 20 5 CCBDMN O=C(N[C@H]([C@@H]1CCOC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000885524949 647859614 /nfs/dbraw/zinc/85/96/14/647859614.db2.gz NLZGPGBTTIZJBO-WCTZXXKLSA-N 0 1 282.218 0.735 20 5 CCBDMN Cn1nccc1[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000928366024 648626718 /nfs/dbraw/zinc/62/67/18/648626718.db2.gz KOVDEIALTPYNOJ-DVVUODLYSA-N 0 1 264.285 0.749 20 5 CCBDMN COc1cnc(N2C[C@@H]3[C@H](C2)OCCN3C)c([N+](=O)[O-])c1 ZINC001164665217 719389929 /nfs/dbraw/zinc/38/99/29/719389929.db2.gz GEAHIYXMIZLSFS-NEPJUHHUSA-N 0 1 294.311 0.518 20 5 CCBDMN CCN1CCN(C2CN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC001120964103 798969473 /nfs/dbraw/zinc/96/94/73/798969473.db2.gz SCATYNBOZUIEFK-UHFFFAOYSA-N 0 1 297.384 0.877 20 5 CCBDMN CN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H]1CO ZINC001151358729 800418772 /nfs/dbraw/zinc/41/87/72/800418772.db2.gz IXEWNZZVYBGCMO-LLVKDONJSA-N 0 1 295.295 0.049 20 5 CCBDMN O=C(N[C@H](CO)Cc1cnc[nH]1)c1ccc([N+](=O)[O-])s1 ZINC001152485835 800529945 /nfs/dbraw/zinc/52/99/45/800529945.db2.gz CISXPYVDAGHUFE-QMMMGPOBSA-N 0 1 296.308 0.713 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2cccc([N+](=O)[O-])n2)S1 ZINC001155837465 801062073 /nfs/dbraw/zinc/06/20/73/801062073.db2.gz NDWSXPGNGCJTES-SSDOTTSWSA-N 0 1 254.227 0.711 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1-n1c(C)ncc(CN)c1=N ZINC001156825105 801242546 /nfs/dbraw/zinc/24/25/46/801242546.db2.gz IPZWYKLNPXICKU-UHFFFAOYSA-N 0 1 274.284 0.731 20 5 CCBDMN COc1nc(-n2c(C)cnc2CN)ncc1[N+](=O)[O-] ZINC001158163136 801580022 /nfs/dbraw/zinc/58/00/22/801580022.db2.gz NSAZQDDICJPBSB-UHFFFAOYSA-N 0 1 264.245 0.346 20 5 CCBDMN COC(=O)c1ccnc(-n2c(C)cnc2CN)c1[N+](=O)[O-] ZINC001158163790 801580119 /nfs/dbraw/zinc/58/01/19/801580119.db2.gz FCKDDNRCTBQQCY-UHFFFAOYSA-N 0 1 291.267 0.729 20 5 CCBDMN CN(C1CN(c2cccc([N+](=O)[O-])n2)C1)[C@H]1CCOC1 ZINC001158725690 801694855 /nfs/dbraw/zinc/69/48/55/801694855.db2.gz LVUUJCDREPLRHL-JTQLQIEISA-N 0 1 278.312 0.899 20 5 CCBDMN COc1ncnc(-n2[n-]c(=O)c(CC[NH3+])c2C)c1[N+](=O)[O-] ZINC001159299881 801787078 /nfs/dbraw/zinc/78/70/78/801787078.db2.gz DZVANVXXPHGDBW-UHFFFAOYSA-N 0 1 294.271 0.094 20 5 CCBDMN O=[N+]([O-])c1ncccc1NCc1nnc2n1CCCNC2 ZINC001163017605 802460288 /nfs/dbraw/zinc/46/02/88/802460288.db2.gz MTMDYZADOAZGRL-UHFFFAOYSA-N 0 1 289.299 0.687 20 5 CCBDMN Cc1ccnc(NCc2n[nH]c(CO)n2)c1[N+](=O)[O-] ZINC001163802650 802615678 /nfs/dbraw/zinc/61/56/78/802615678.db2.gz XDVPXKCMQJDJAP-UHFFFAOYSA-N 0 1 264.245 0.521 20 5 CCBDMN Cc1ccnc(NCc2nnc(CO)[nH]2)c1[N+](=O)[O-] ZINC001163802650 802615679 /nfs/dbraw/zinc/61/56/79/802615679.db2.gz XDVPXKCMQJDJAP-UHFFFAOYSA-N 0 1 264.245 0.521 20 5 CCBDMN COC(=O)[C@H]1CNCCN1c1nccc(C)c1[N+](=O)[O-] ZINC001165438205 802842619 /nfs/dbraw/zinc/84/26/19/802842619.db2.gz YDABDMGNVOABIU-SECBINFHSA-N 0 1 280.284 0.249 20 5 CCBDMN COC(=O)C1CC(Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001229377011 805527576 /nfs/dbraw/zinc/52/75/76/805527576.db2.gz YTLAZJCEGLAHMY-UHFFFAOYSA-N 0 1 283.240 0.729 20 5 CCBDMN Cc1nc(OC2CCN(N)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378678 805527794 /nfs/dbraw/zinc/52/77/94/805527794.db2.gz IVXDEZNWASFVBR-UHFFFAOYSA-N 0 1 269.261 0.116 20 5 CCBDMN C[C@H](O)[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC001161585491 815219913 /nfs/dbraw/zinc/21/99/13/815219913.db2.gz BYQRZQRUAJOOCA-UFBFGSQYSA-N 0 1 296.279 0.522 20 5 CCBDMN C[N@H+]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H](C(=O)[O-])C1 ZINC001261502858 809001416 /nfs/dbraw/zinc/00/14/16/809001416.db2.gz BGVPBDYLOPGWPP-VIFPVBQESA-N 0 1 280.284 0.442 20 5 CCBDMN COC[C@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001263261271 809499899 /nfs/dbraw/zinc/49/98/99/809499899.db2.gz YVZAQGQZDVVIFL-GFCCVEGCSA-N 0 1 293.323 0.964 20 5 CCBDMN CCC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001280369227 810012584 /nfs/dbraw/zinc/01/25/84/810012584.db2.gz MKOFXLJGSWATIS-NXEZZACHSA-N 0 1 285.344 0.662 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1cnc(F)c([N+](=O)[O-])c1 ZINC001167675902 811228941 /nfs/dbraw/zinc/22/89/41/811228941.db2.gz SMDZWBFVTITBPW-UHFFFAOYSA-N 0 1 278.247 0.561 20 5 CCBDMN O=C(NCC1CN(C/C=C\Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031660622 817227060 /nfs/dbraw/zinc/22/70/60/817227060.db2.gz MROADAQCYDDYBI-BSANDHCLSA-N 0 1 273.720 0.452 20 5 CCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)C(F)F ZINC001062374152 819923927 /nfs/dbraw/zinc/92/39/27/819923927.db2.gz YSXKFMQBFNXOTA-RNFRBKRXSA-N 0 1 291.254 0.072 20 5 CCBDMN CCc1n[nH]c(C(=O)N2CC[C@@H](N3CCC3)C2)c1[N+](=O)[O-] ZINC000823484717 821520746 /nfs/dbraw/zinc/52/07/46/821520746.db2.gz LMYDKDOZJIBGAR-SECBINFHSA-N 0 1 293.327 0.801 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](N3CCC3)C2)c1[N+](=O)[O-] ZINC000823484717 821520749 /nfs/dbraw/zinc/52/07/49/821520749.db2.gz LMYDKDOZJIBGAR-SECBINFHSA-N 0 1 293.327 0.801 20 5 CCBDMN O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC[P@@](=O)([O-])O)C1 ZINC001168969063 836090074 /nfs/dbraw/zinc/09/00/74/836090074.db2.gz BVEQVJVVMXJPSE-HTQZYQBOSA-N 0 1 252.207 0.199 20 5 CCBDMN CCOC(=O)c1noc(CN[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168988929 836101951 /nfs/dbraw/zinc/10/19/51/836101951.db2.gz VBPHYOSSEFJMOL-RKDXNWHRSA-N 0 1 298.299 0.781 20 5 CCBDMN COC(=O)c1ncc([N+](=O)[O-])cc1-n1c(C)cnc1CN ZINC001169031014 836107233 /nfs/dbraw/zinc/10/72/33/836107233.db2.gz UQIWAVHOWFAZHX-UHFFFAOYSA-N 0 1 291.267 0.729 20 5 CCBDMN COC[C@H]1COCCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169043830 836113667 /nfs/dbraw/zinc/11/36/67/836113667.db2.gz HXZDSXNUIRKMQB-UTUOFQBUSA-N 0 1 258.318 0.779 20 5 CCBDMN CN(C)C(=O)CN1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169023280 836114971 /nfs/dbraw/zinc/11/49/71/836114971.db2.gz DYIICKGHURTCEV-QWHCGFSZSA-N 0 1 298.387 0.138 20 5 CCBDMN COc1ccnc(-n2c(C)cnc2CN)c1[N+](=O)[O-] ZINC001169021125 836115562 /nfs/dbraw/zinc/11/55/62/836115562.db2.gz YDMODMQWRNSFJB-UHFFFAOYSA-N 0 1 263.257 0.951 20 5 CCBDMN COc1cc([N+](=O)[O-])cnc1-n1[n-]c(=O)c(CC[NH3+])c1C ZINC001170337416 837304358 /nfs/dbraw/zinc/30/43/58/837304358.db2.gz RBNXGLZKMSEGAZ-UHFFFAOYSA-N 0 1 293.283 0.699 20 5 CCBDMN COc1ccc(C[C@H](C)NC2(CO)COC2)c([N+](=O)[O-])c1 ZINC001170308146 837307783 /nfs/dbraw/zinc/30/77/83/837307783.db2.gz LCISVRWXZPKQQH-JTQLQIEISA-N 0 1 296.323 0.885 20 5 CCBDMN CCNC(=O)[C@@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105855539 838615970 /nfs/dbraw/zinc/61/59/70/838615970.db2.gz GWEQCTNVDBPBNS-SKDRFNHKSA-N 0 1 281.312 0.742 20 5 CCBDMN CC[C@@](N)(CO)Nc1cc([N+](=O)[O-])cc(C(=O)OC)n1 ZINC001170859692 839441800 /nfs/dbraw/zinc/44/18/00/839441800.db2.gz QTWNMUJMSAZLII-NSHDSACASA-N 0 1 284.272 0.246 20 5 CCBDMN O=C(NCCNc1ccc([N+](=O)[O-])cc1F)c1ncn[nH]1 ZINC001093793576 841460011 /nfs/dbraw/zinc/46/00/11/841460011.db2.gz WBYBZCBKCNAEOI-UHFFFAOYSA-N 0 1 294.246 0.694 20 5 CCBDMN O=C(NCCNc1ccc([N+](=O)[O-])cc1F)c1nc[nH]n1 ZINC001093793576 841460018 /nfs/dbraw/zinc/46/00/18/841460018.db2.gz WBYBZCBKCNAEOI-UHFFFAOYSA-N 0 1 294.246 0.694 20 5 CCBDMN O=C(NCCCNc1ccc([N+](=O)[O-])cn1)c1ncn[nH]1 ZINC001094533094 841658820 /nfs/dbraw/zinc/65/88/20/841658820.db2.gz HHEWBIBFQWZHBB-UHFFFAOYSA-N 0 1 291.271 0.340 20 5 CCBDMN O=C(NCCCNc1ccc([N+](=O)[O-])cn1)c1nc[nH]n1 ZINC001094533094 841658822 /nfs/dbraw/zinc/65/88/22/841658822.db2.gz HHEWBIBFQWZHBB-UHFFFAOYSA-N 0 1 291.271 0.340 20 5 CCBDMN O=C(NCCCNc1ncccc1[N+](=O)[O-])c1ncn[nH]1 ZINC001094533582 841659437 /nfs/dbraw/zinc/65/94/37/841659437.db2.gz XZQSBUGLEOGRJP-UHFFFAOYSA-N 0 1 291.271 0.340 20 5 CCBDMN O=C(NCCCNc1ncccc1[N+](=O)[O-])c1nc[nH]n1 ZINC001094533582 841659444 /nfs/dbraw/zinc/65/94/44/841659444.db2.gz XZQSBUGLEOGRJP-UHFFFAOYSA-N 0 1 291.271 0.340 20 5 CCBDMN Cc1n[nH]c(C(=O)N[C@@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001176468394 842373198 /nfs/dbraw/zinc/37/31/98/842373198.db2.gz ZEAANPNLXKOAHD-SECBINFHSA-N 0 1 279.300 0.450 20 5 CCBDMN COCC1(O)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC001116397777 855759143 /nfs/dbraw/zinc/75/91/43/855759143.db2.gz AOVAKDBQNQOZJO-UHFFFAOYSA-N 0 1 298.299 0.240 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2CO)c1[N+](=O)[O-] ZINC001116784969 855833604 /nfs/dbraw/zinc/83/36/04/855833604.db2.gz DYTKSFCZSHXQFU-QMMMGPOBSA-N 0 1 282.300 0.867 20 5 CCBDMN Cc1nn(C)c(C(=O)OCc2nnc[nH]2)c1[N+](=O)[O-] ZINC001118450235 856299837 /nfs/dbraw/zinc/29/98/37/856299837.db2.gz MYFRSYOMUFPLFV-UHFFFAOYSA-N 0 1 266.217 0.112 20 5 CCBDMN COC(=O)C[C@H](N)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326018901 913701097 /nfs/dbraw/zinc/70/10/97/913701097.db2.gz ROKMZMOVEPDNFY-NSHDSACASA-N 0 1 293.279 0.327 20 5 CCBDMN O=c1ccn(Cc2nc([C@@H]3CCCN3)no2)cc1[N+](=O)[O-] ZINC001326171208 913794925 /nfs/dbraw/zinc/79/49/25/913794925.db2.gz BJNBYNVRYXSLKL-QMMMGPOBSA-N 0 1 291.267 0.612 20 5 CCBDMN CC(C)(N)c1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC001326797258 914178751 /nfs/dbraw/zinc/17/87/51/914178751.db2.gz NPQJQEXIMOSQLY-UHFFFAOYSA-N 0 1 279.256 0.382 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1C[C@H](CO)[C@H](O)C1 ZINC001307829957 900989616 /nfs/dbraw/zinc/98/96/16/900989616.db2.gz VCKQRETVXPSIDF-ZYHUDNBSSA-N 0 1 282.296 0.259 20 5 CCBDMN COC1(OC)CC(NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001451776862 901630272 /nfs/dbraw/zinc/63/02/72/901630272.db2.gz BBIRVCJCHMRLCH-UHFFFAOYSA-N 0 1 270.245 0.199 20 5 CCBDMN CC(C)CCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001295160424 906685201 /nfs/dbraw/zinc/68/52/01/906685201.db2.gz UXCREYLKJZIACK-WRWGMCAJSA-N 0 1 297.355 0.851 20 5 CCBDMN NC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001337792970 921293709 /nfs/dbraw/zinc/29/37/09/921293709.db2.gz UHMXQEKGVUMMSQ-OPRDCNLKSA-N 0 1 297.698 0.648 20 5 CCBDMN C[C@]1(CO)C[C@H](O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001301121052 907955056 /nfs/dbraw/zinc/95/50/56/907955056.db2.gz AYSZXNQMNXZRIO-WCQYABFASA-N 0 1 296.279 0.258 20 5 CCBDMN COc1c(O)ccc(CNCc2c[nH]nn2)c1[N+](=O)[O-] ZINC001308873252 908439885 /nfs/dbraw/zinc/43/98/85/908439885.db2.gz GSLCLVQSMJQCKZ-UHFFFAOYSA-N 0 1 279.256 0.717 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCc1ccccn1 ZINC001309001027 908449573 /nfs/dbraw/zinc/44/95/73/908449573.db2.gz JVOJSBODNYYDIA-UHFFFAOYSA-N 0 1 294.292 0.863 20 5 CCBDMN Cc1cc(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)n[nH]1 ZINC001339018199 921627748 /nfs/dbraw/zinc/62/77/48/921627748.db2.gz UBPOWPIFALMPMW-UHFFFAOYSA-N 0 1 278.272 0.598 20 5 CCBDMN COCC[N@H+](CCC(=O)[O-])CCn1ccc([N+](=O)[O-])n1 ZINC001328763205 915419036 /nfs/dbraw/zinc/41/90/36/915419036.db2.gz YAEUDTZGFXWXAJ-UHFFFAOYSA-N 0 1 286.288 0.214 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C[C@H]2C[C@@H](O)C2)c1[N+](=O)[O-] ZINC001329206104 915744473 /nfs/dbraw/zinc/74/44/73/915744473.db2.gz GUYQVNWHJNUPDI-OCAPTIKFSA-N 0 1 268.273 0.469 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CC(CN2CC[NH+](C)CC2)C1 ZINC001343171548 923224339 /nfs/dbraw/zinc/22/43/39/923224339.db2.gz XHXWDJMGRDJDOP-UHFFFAOYSA-N 0 1 294.359 0.012 20 5 CCBDMN Cc1cc(C(=O)N2CCNC[C@@H]2CO)cc([N+](=O)[O-])c1 ZINC001344517295 923618007 /nfs/dbraw/zinc/61/80/07/923618007.db2.gz KZMODCVPIQMMOL-GFCCVEGCSA-N 0 1 279.296 0.310 20 5 CCBDMN C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C(=O)[O-] ZINC001345945103 924019533 /nfs/dbraw/zinc/01/95/33/924019533.db2.gz RHXLZTJEPYIXRH-ONGXEEELSA-N 0 1 282.300 0.834 20 5 CCBDMN COCc1ncc(COC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001348567504 924730629 /nfs/dbraw/zinc/73/06/29/924730629.db2.gz RTRJEGTXMUPKFW-HTQZYQBOSA-N 0 1 272.282 0.998 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCNC[C@@H]1CO ZINC001358026068 926620782 /nfs/dbraw/zinc/62/07/82/926620782.db2.gz CQSAZMKVGIFZLZ-LLVKDONJSA-N 0 1 279.296 0.310 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCNC[C@H]1CO ZINC001358026079 926621347 /nfs/dbraw/zinc/62/13/47/926621347.db2.gz CQSAZMKVGIFZLZ-NSHDSACASA-N 0 1 279.296 0.310 20 5 CCBDMN CCC(CC)C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001358661033 926780847 /nfs/dbraw/zinc/78/08/47/926780847.db2.gz AFTAQRLKSQOQCX-GHMZBOCLSA-N 0 1 297.355 0.853 20 5 CCBDMN CC(=O)OC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001545791952 928451181 /nfs/dbraw/zinc/45/11/81/928451181.db2.gz LSTNKOQHMLSYMN-NXEZZACHSA-N 0 1 256.258 0.206 20 5 CCBDMN O=C([O-])[C@@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC001595191565 952285788 /nfs/dbraw/zinc/28/57/88/952285788.db2.gz WYAXCBZTFLXNFT-VHSXEESVSA-N 0 1 280.284 0.791 20 5 CCBDMN Cn1cc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])n1 ZINC001594543274 955672973 /nfs/dbraw/zinc/67/29/73/955672973.db2.gz WHGBHXUCDZSFDH-LLVKDONJSA-N 0 1 268.273 0.625 20 5 CCBDMN CC[C@H](C(=O)[O-])[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000044620825 967529618 /nfs/dbraw/zinc/52/96/18/967529618.db2.gz JWOKWIZBXVHGRH-SECBINFHSA-N 0 1 270.289 0.895 20 5 CCBDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001604541854 973529316 /nfs/dbraw/zinc/52/93/16/973529316.db2.gz LATLPLYZJDGTCU-CYBMUJFWSA-N 0 1 295.295 0.913 20 5 CCBDMN C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCC(=O)[O-] ZINC001598501879 992446086 /nfs/dbraw/zinc/44/60/86/992446086.db2.gz OVGUYJRQZWRYRI-UHFFFAOYSA-N 0 1 295.295 0.270 20 5 CCBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCC(=O)[O-] ZINC001598501879 992446091 /nfs/dbraw/zinc/44/60/91/992446091.db2.gz OVGUYJRQZWRYRI-UHFFFAOYSA-N 0 1 295.295 0.270 20 5 CCBDMN COCC[N@H+](CCO)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599238994 998001678 /nfs/dbraw/zinc/00/16/78/998001678.db2.gz XBADYMWIVSHNOX-UHFFFAOYSA-N 0 1 298.295 0.734 20 5 CCBDMN COCC[N@@H+](CCO)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599238994 998001693 /nfs/dbraw/zinc/00/16/93/998001693.db2.gz XBADYMWIVSHNOX-UHFFFAOYSA-N 0 1 298.295 0.734 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000124397549 187136234 /nfs/dbraw/zinc/13/62/34/187136234.db2.gz FDYURROXWFTADP-SNVBAGLBSA-N 0 1 279.296 0.794 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1N1CCCN(CCO)CC1 ZINC000091556786 349467368 /nfs/dbraw/zinc/46/73/68/349467368.db2.gz NWDGHQWJZWLMNZ-UHFFFAOYSA-N 0 1 297.359 0.624 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCN(CCCF)CC2)n1 ZINC000599666770 361779747 /nfs/dbraw/zinc/77/97/47/361779747.db2.gz CCUCCYLQRSTQKO-UHFFFAOYSA-N 0 1 285.323 0.769 20 5 CCBDMN O=C(NCCN1CC[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599780666 361813531 /nfs/dbraw/zinc/81/35/31/361813531.db2.gz RSGKKGALJPXQQX-LBPRGKRZSA-N 0 1 294.311 0.783 20 5 CCBDMN CCn1nncc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600158179 361879174 /nfs/dbraw/zinc/87/91/74/361879174.db2.gz AQWUMGXCCABEIF-UHFFFAOYSA-N 0 1 291.267 0.842 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CC2(C)COC2)c1[N+](=O)[O-] ZINC000600305991 361925121 /nfs/dbraw/zinc/92/51/21/361925121.db2.gz JCUSGARGWQPYRR-UHFFFAOYSA-N 0 1 282.300 0.989 20 5 CCBDMN COC[C@@]1(C)CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CCO1 ZINC000600808720 362065921 /nfs/dbraw/zinc/06/59/21/362065921.db2.gz QDHVDPRZYHQVMT-GFCCVEGCSA-N 0 1 298.299 0.504 20 5 CCBDMN CN(C)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601449225 362276679 /nfs/dbraw/zinc/27/66/79/362276679.db2.gz XRNGWKHHEHIIDU-UHFFFAOYSA-N 0 1 299.352 0.967 20 5 CCBDMN CC[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1O ZINC000602495879 362644976 /nfs/dbraw/zinc/64/49/76/362644976.db2.gz YUAMPSNJUDIZQK-SCZZXKLOSA-N 0 1 254.290 0.531 20 5 CCBDMN Cc1c(CC(=O)NC[C@@H]2COCCN2)cccc1[N+](=O)[O-] ZINC000602549530 362673603 /nfs/dbraw/zinc/67/36/03/362673603.db2.gz DGLYUFOEJOYNAI-GFCCVEGCSA-N 0 1 293.323 0.550 20 5 CCBDMN CN1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602713971 362765341 /nfs/dbraw/zinc/76/53/41/362765341.db2.gz DNORMAWTSLVBNK-AWEZNQCLSA-N 0 1 279.340 0.746 20 5 CCBDMN C[C@@H](Cn1ccnc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343243582 137122541 /nfs/dbraw/zinc/12/25/41/137122541.db2.gz OQIUSSNDOQVFTL-ZETCQYMHSA-N 0 1 264.245 0.333 20 5 CCBDMN O=C(NCCNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC000343099063 137115308 /nfs/dbraw/zinc/11/53/08/137115308.db2.gz YBTAYYDTKWSEQX-UHFFFAOYSA-N 0 1 293.239 0.071 20 5 CCBDMN Cc1cc(C)c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c(=O)[nH]1 ZINC000343103390 137115419 /nfs/dbraw/zinc/11/54/19/137115419.db2.gz CUGFPXRTSUMXKK-UHFFFAOYSA-N 0 1 291.267 0.965 20 5 CCBDMN COCCOCCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343381112 137131656 /nfs/dbraw/zinc/13/16/56/137131656.db2.gz YRLIDEDURZCQRS-UHFFFAOYSA-N 0 1 286.288 0.491 20 5 CCBDMN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2nc[nH]c2c1 ZINC000344450870 137195211 /nfs/dbraw/zinc/19/52/11/137195211.db2.gz QMPPCSBTXRFKBT-UHFFFAOYSA-N 0 1 287.239 0.701 20 5 CCBDMN COc1ccnc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000344610436 137203498 /nfs/dbraw/zinc/20/34/98/137203498.db2.gz WLBMGELLHNSXQH-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN O=C(NO[C@@H]1CCCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000128770918 187388641 /nfs/dbraw/zinc/38/86/41/187388641.db2.gz QPHJDHJFHBJRDX-SSDOTTSWSA-N 0 1 256.218 0.506 20 5 CCBDMN C[C@@]1(CO)C[C@H](O)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000602907918 362880452 /nfs/dbraw/zinc/88/04/52/362880452.db2.gz NQQWIDSDHVDMLB-STQMWFEESA-N 0 1 266.297 0.912 20 5 CCBDMN C[C@]1(CO)C[C@@H](O)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000602907912 362880811 /nfs/dbraw/zinc/88/08/11/362880811.db2.gz NQQWIDSDHVDMLB-CHWSQXEVSA-N 0 1 266.297 0.912 20 5 CCBDMN O=[N+]([O-])c1cccc2ncnc(NCc3nnc[nH]3)c21 ZINC000347398288 137334541 /nfs/dbraw/zinc/33/45/41/137334541.db2.gz ILGYMOBGTDSQMQ-UHFFFAOYSA-N 0 1 271.240 0.690 20 5 CCBDMN O=C(NC[C@@H]1CC[C@H](CO)O1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000349694495 137399995 /nfs/dbraw/zinc/39/99/95/137399995.db2.gz MYLLBATYAPXTPN-NWDGAFQWSA-N 0 1 296.279 0.570 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccncc1O ZINC000347963718 137366038 /nfs/dbraw/zinc/36/60/38/137366038.db2.gz KCASDGMSVGMDSW-UHFFFAOYSA-N 0 1 263.213 0.103 20 5 CCBDMN C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)N1CCN(C)CC1 ZINC000076270016 349076786 /nfs/dbraw/zinc/07/67/86/349076786.db2.gz KVNWDTOARAESBI-SECBINFHSA-N 0 1 295.347 0.015 20 5 CCBDMN CN(Cc1cn[nH]c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000085825836 349335930 /nfs/dbraw/zinc/33/59/30/349335930.db2.gz BLGMPEWYWVMXIH-LLVKDONJSA-N 0 1 280.288 0.007 20 5 CCBDMN COC[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000126192537 350140702 /nfs/dbraw/zinc/14/07/02/350140702.db2.gz RCHLXGCQWPPKAD-CQSZACIVSA-N 0 1 295.339 0.724 20 5 CCBDMN CC(C)COC[C@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000127065288 350160504 /nfs/dbraw/zinc/16/05/04/350160504.db2.gz WAJOVQOLWMVYPG-MRVPVSSYSA-N 0 1 286.288 0.081 20 5 CCBDMN CN(C)C1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000135641591 350404990 /nfs/dbraw/zinc/40/49/90/350404990.db2.gz WEEZYAGSWMCELR-UHFFFAOYSA-N 0 1 263.297 0.910 20 5 CCBDMN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCNCC1 ZINC000135212966 350388591 /nfs/dbraw/zinc/38/85/91/350388591.db2.gz AIZXGNDBEAYAMM-UHFFFAOYSA-N 0 1 253.233 0.779 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc2[nH]nnc2c1 ZINC000153107931 350553607 /nfs/dbraw/zinc/55/36/07/350553607.db2.gz HAKCTHNVTXWAMV-UHFFFAOYSA-N 0 1 287.239 0.701 20 5 CCBDMN C[C@H](O)[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000168442748 350826400 /nfs/dbraw/zinc/82/64/00/350826400.db2.gz BCUOAZOZOZOKSW-ONGXEEELSA-N 0 1 293.323 0.896 20 5 CCBDMN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000174843653 351106635 /nfs/dbraw/zinc/10/66/35/351106635.db2.gz PYIKHZZBXFILQD-SNVBAGLBSA-N 0 1 254.290 0.902 20 5 CCBDMN C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000174564234 351092325 /nfs/dbraw/zinc/09/23/25/351092325.db2.gz PRVGPVJTDGXCAS-QMMMGPOBSA-N 0 1 291.267 0.969 20 5 CCBDMN CCCN(CCn1ccc([N+](=O)[O-])n1)CC(=O)NC ZINC000176245496 351164046 /nfs/dbraw/zinc/16/40/46/351164046.db2.gz CHZXYLNSQDLENX-UHFFFAOYSA-N 0 1 269.305 0.249 20 5 CCBDMN CNCc1cn(Cc2ccc([N+](=O)[O-])c(OC)c2)nn1 ZINC000603243794 363020047 /nfs/dbraw/zinc/02/00/47/363020047.db2.gz OBDGSDYNQQBLFM-UHFFFAOYSA-N 0 1 277.284 0.963 20 5 CCBDMN Nc1ccc([N+](=O)[O-])c(N2CCN(CCCO)CC2)c1 ZINC000193401378 351826728 /nfs/dbraw/zinc/82/67/28/351826728.db2.gz ZJAGZXQITUHQHR-UHFFFAOYSA-N 0 1 280.328 0.681 20 5 CCBDMN Cc1nn(C)c(C)c1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000123174474 187075985 /nfs/dbraw/zinc/07/59/85/187075985.db2.gz WAEXRWDKRWBDIU-UHFFFAOYSA-N 0 1 278.272 0.598 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2n[nH]c(C)n2)c1 ZINC000291776892 198088985 /nfs/dbraw/zinc/08/89/85/198088985.db2.gz WEKQPRMPLXFQKS-UHFFFAOYSA-N 0 1 293.239 0.018 20 5 CCBDMN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1 ZINC000122622012 187042003 /nfs/dbraw/zinc/04/20/03/187042003.db2.gz PYIHFZXPBCRIOZ-SNVBAGLBSA-N 0 1 263.297 0.958 20 5 CCBDMN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271471783 191156750 /nfs/dbraw/zinc/15/67/50/191156750.db2.gz YXTYJGUIWWVVJB-SCZZXKLOSA-N 0 1 293.327 0.541 20 5 CCBDMN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1COCCN1 ZINC000236400444 352194019 /nfs/dbraw/zinc/19/40/19/352194019.db2.gz BYJDUQQVGDFFLC-LLVKDONJSA-N 0 1 279.296 0.242 20 5 CCBDMN O=C(NC[C@H]1COCCN1)Nc1cccc([N+](=O)[O-])c1 ZINC000236408273 352194170 /nfs/dbraw/zinc/19/41/70/352194170.db2.gz AHEDCNPJBJVUBE-JTQLQIEISA-N 0 1 280.284 0.705 20 5 CCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](O)C1 ZINC000267194204 352750636 /nfs/dbraw/zinc/75/06/36/352750636.db2.gz LXTQDEHIQDABNC-QMMMGPOBSA-N 0 1 276.252 0.678 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000270383975 352927315 /nfs/dbraw/zinc/92/73/15/352927315.db2.gz QCVAWZTVSKGCKQ-SSDOTTSWSA-N 0 1 254.246 0.223 20 5 CCBDMN CCC[C@@H]1C(=O)NCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000270951003 353007344 /nfs/dbraw/zinc/00/73/44/353007344.db2.gz ZCBNHYNSFODQHS-MRVPVSSYSA-N 0 1 295.299 0.367 20 5 CCBDMN O=C(NC[C@@]1(O)CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272718897 353088324 /nfs/dbraw/zinc/08/83/24/353088324.db2.gz ZMAIVZKEQGRTIH-LBPRGKRZSA-N 0 1 282.252 0.182 20 5 CCBDMN COCCN(CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153932481 188112553 /nfs/dbraw/zinc/11/25/53/188112553.db2.gz YHYBEPRYYYEGKU-CYBMUJFWSA-N 0 1 284.312 0.569 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC(C)(O)C2)c1[N+](=O)[O-] ZINC000277729541 353261689 /nfs/dbraw/zinc/26/16/89/353261689.db2.gz KXVPSDHQXBQQJT-UHFFFAOYSA-N 0 1 268.273 0.648 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)[C@@H](O)C1 ZINC000278378963 353296323 /nfs/dbraw/zinc/29/63/23/353296323.db2.gz LKHQWWGNHFOYGK-RYUDHWBXSA-N 0 1 252.270 0.441 20 5 CCBDMN O=C(NCC[N@H+]1CC=CCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000280422045 353361465 /nfs/dbraw/zinc/36/14/65/353361465.db2.gz ZLJLGWYIZGSRJI-UHFFFAOYSA-N 0 1 292.295 0.687 20 5 CCBDMN O=C(NCC[N@@H+]1CC=CCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000280422045 353361466 /nfs/dbraw/zinc/36/14/66/353361466.db2.gz ZLJLGWYIZGSRJI-UHFFFAOYSA-N 0 1 292.295 0.687 20 5 CCBDMN COC(=O)C(C)(C)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000286375690 353581940 /nfs/dbraw/zinc/58/19/40/353581940.db2.gz KALBQRYBZVQBTB-UHFFFAOYSA-N 0 1 284.272 0.637 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN(C2CC2)C2COC2)c1 ZINC000295560231 353903290 /nfs/dbraw/zinc/90/32/90/353903290.db2.gz XUVJYTKILCHXTN-LBPRGKRZSA-N 0 1 282.300 0.015 20 5 CCBDMN CC(C)N(CCn1ccc([N+](=O)[O-])n1)C1COC1 ZINC000295563790 353904336 /nfs/dbraw/zinc/90/43/36/353904336.db2.gz YCUGUJATDWUTAW-UHFFFAOYSA-N 0 1 254.290 0.901 20 5 CCBDMN O=C(NCCOC(=O)C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000299159590 353995916 /nfs/dbraw/zinc/99/59/16/353995916.db2.gz ZGSTYBHWQYSPRX-UHFFFAOYSA-N 0 1 294.263 0.983 20 5 CCBDMN CC[C@@H](C)[C@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000305753132 354159160 /nfs/dbraw/zinc/15/91/60/354159160.db2.gz UGNAPVZRVSIYAF-RDDDGLTNSA-N 0 1 270.289 0.845 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC(OCC(F)F)C2)c1[N+](=O)[O-] ZINC000331476399 354585610 /nfs/dbraw/zinc/58/56/10/354585610.db2.gz HLKPNQKULLRCNJ-UHFFFAOYSA-N 0 1 290.226 0.732 20 5 CCBDMN CCN1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1=O ZINC000332714689 354727329 /nfs/dbraw/zinc/72/73/29/354727329.db2.gz ZXILSTDXWQWXGR-UHFFFAOYSA-N 0 1 295.299 0.703 20 5 CCBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NCCN1CCC1 ZINC000337304550 355298214 /nfs/dbraw/zinc/29/82/14/355298214.db2.gz SCIUYWLBDAFPRN-UHFFFAOYSA-N 0 1 263.297 0.959 20 5 CCBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@@H]3COC[C@@H]3O)C2)nc1 ZINC000361316905 138029161 /nfs/dbraw/zinc/02/91/61/138029161.db2.gz WVRCMUFVYQTKJQ-JLLWLGSASA-N 0 1 294.311 0.236 20 5 CCBDMN O=C(NCc1ccnc(-n2cccn2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000363618868 138092370 /nfs/dbraw/zinc/09/23/70/138092370.db2.gz CYVYZKFGAUBCRH-GHMZBOCLSA-N 0 1 287.279 0.549 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000609132320 363472707 /nfs/dbraw/zinc/47/27/07/363472707.db2.gz DFQWWHDCTJHNOY-QWRGUYRKSA-N 0 1 295.343 0.364 20 5 CCBDMN COCCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000609269506 363486182 /nfs/dbraw/zinc/48/61/82/363486182.db2.gz RXXJTGRKQPOXRW-SNVBAGLBSA-N 0 1 296.327 0.764 20 5 CCBDMN C[C@@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000355112006 356580238 /nfs/dbraw/zinc/58/02/38/356580238.db2.gz MKJYOKMZRKDOSF-RNFRBKRXSA-N 0 1 254.246 0.615 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])s1)N1CCc2[nH]nnc2C1 ZINC000359576190 356848783 /nfs/dbraw/zinc/84/87/83/356848783.db2.gz LTDDHQYLDAXTHH-UHFFFAOYSA-N 0 1 279.281 0.973 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000365523256 357156639 /nfs/dbraw/zinc/15/66/39/357156639.db2.gz QFNZNBLFLLTSPM-OCAPTIKFSA-N 0 1 280.284 0.884 20 5 CCBDMN Cc1cc(NCCN2C[C@H]3CC[C@@H](C2)O3)ncc1[N+](=O)[O-] ZINC000450798206 236113052 /nfs/dbraw/zinc/11/30/52/236113052.db2.gz YIFUYUZKIZGYQV-TXEJJXNPSA-N 0 1 292.339 0.995 20 5 CCBDMN Cc1[nH]ncc1CCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000562400092 291149497 /nfs/dbraw/zinc/14/94/97/291149497.db2.gz KLEVLPQVYOLBAT-UHFFFAOYSA-N 0 1 278.272 0.712 20 5 CCBDMN C[C@@H](O)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000568742290 358699960 /nfs/dbraw/zinc/69/99/60/358699960.db2.gz KMLUKLUYTVDZCH-SECBINFHSA-N 0 1 288.325 0.339 20 5 CCBDMN [NH3+][C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CC1 ZINC000573246804 358951772 /nfs/dbraw/zinc/95/17/72/358951772.db2.gz DTQYKCQUEZXOQW-VIFPVBQESA-N 0 1 266.257 0.163 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC(C(F)F)C2)c1[N+](=O)[O-] ZINC000610871428 363623220 /nfs/dbraw/zinc/62/32/20/363623220.db2.gz UYUIZPMONLFICM-UHFFFAOYSA-N 0 1 260.200 0.963 20 5 CCBDMN Cc1cc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000610864190 363623599 /nfs/dbraw/zinc/62/35/99/363623599.db2.gz MMXVJJMLCLHZKT-UHFFFAOYSA-N 0 1 293.287 0.322 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCO[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000590434513 359461380 /nfs/dbraw/zinc/46/13/80/359461380.db2.gz NTYMHZLNQVKNDM-JGVFFNPUSA-N 0 1 266.257 0.494 20 5 CCBDMN C[C@@H]1CN(c2cccnc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000590722774 359511748 /nfs/dbraw/zinc/51/17/48/359511748.db2.gz DJNILZLVFAXUQQ-PHIMTYICSA-N 0 1 280.328 0.881 20 5 CCBDMN COC(=O)C[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000563061490 291186625 /nfs/dbraw/zinc/18/66/25/291186625.db2.gz KFPNXOVSUQCVNH-VIFPVBQESA-N 0 1 281.268 0.101 20 5 CCBDMN C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592336772 359820895 /nfs/dbraw/zinc/82/08/95/359820895.db2.gz KKEBZZJIRDSCOI-RCOVLWMOSA-N 0 1 266.257 0.257 20 5 CCBDMN COC(=O)[C@H]1CNCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000592547672 359881485 /nfs/dbraw/zinc/88/14/85/359881485.db2.gz JJXACCSSIWBYDN-MRVPVSSYSA-N 0 1 297.267 0.165 20 5 CCBDMN Cn1nnnc1CCNCc1csc([N+](=O)[O-])c1 ZINC000611314529 363706364 /nfs/dbraw/zinc/70/63/64/363706364.db2.gz ADNSDVRMCZADMW-UHFFFAOYSA-N 0 1 268.302 0.512 20 5 CCBDMN CC(C)[N@H+](CCC(=O)[O-])CCn1ccc([N+](=O)[O-])n1 ZINC000593745791 360146689 /nfs/dbraw/zinc/14/66/89/360146689.db2.gz CDVNFBPAEYQPJI-UHFFFAOYSA-N 0 1 270.289 0.976 20 5 CCBDMN O=C(NCC[C@]1(O)CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000593813890 360165700 /nfs/dbraw/zinc/16/57/00/360165700.db2.gz QZKWFOQTDJNAKE-ZDUSSCGKSA-N 0 1 296.279 0.572 20 5 CCBDMN C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CC(C)C1 ZINC000594323454 360274304 /nfs/dbraw/zinc/27/43/04/360274304.db2.gz VWGYFHBKFACBOB-SNVBAGLBSA-N 0 1 281.316 0.248 20 5 CCBDMN CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000595882087 360689462 /nfs/dbraw/zinc/68/94/62/360689462.db2.gz FZFDTWRXVAGPOL-QMMMGPOBSA-N 0 1 295.295 0.989 20 5 CCBDMN CN(Cc1nnc[nH]1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178866214 189151718 /nfs/dbraw/zinc/15/17/18/189151718.db2.gz CPZKMGIPVLTQRS-NSHDSACASA-N 0 1 277.284 0.878 20 5 CCBDMN CC[C@@H](CO)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596140215 360810152 /nfs/dbraw/zinc/81/01/52/360810152.db2.gz FQTXGHUWNLVDDX-JTQLQIEISA-N 0 1 295.343 0.465 20 5 CCBDMN CN(C)C[C@H](CO)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000596244116 360851121 /nfs/dbraw/zinc/85/11/21/360851121.db2.gz PGXXWHDEJAEKSP-MRVPVSSYSA-N 0 1 279.300 0.227 20 5 CCBDMN C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CCN1CCO ZINC000596209354 360836266 /nfs/dbraw/zinc/83/62/66/360836266.db2.gz NAVIDAPKBQNEFN-SECBINFHSA-N 0 1 281.316 0.075 20 5 CCBDMN C[C@H](CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597992864 361300520 /nfs/dbraw/zinc/30/05/20/361300520.db2.gz OKJQWOCHEGMNLM-MRVPVSSYSA-N 0 1 282.300 0.765 20 5 CCBDMN CO[C@]1(CO)CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000597996757 361305173 /nfs/dbraw/zinc/30/51/73/361305173.db2.gz HVZVANCZSSDJER-GFCCVEGCSA-N 0 1 298.299 0.240 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC000598446694 361419840 /nfs/dbraw/zinc/41/98/40/361419840.db2.gz GYEAAODVFFAEGN-JMCQJSRRSA-N 0 1 282.300 0.717 20 5 CCBDMN C[C@H]1CCC[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599231989 361616722 /nfs/dbraw/zinc/61/67/22/361616722.db2.gz GHKOSJOKDRZMQZ-YUMQZZPRSA-N 0 1 288.329 0.795 20 5 CCBDMN C[C@@H]1[C@H](C)N(C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000612794050 364012644 /nfs/dbraw/zinc/01/26/44/364012644.db2.gz WYCJOICYEFCGNJ-DTWKUNHWSA-N 0 1 251.290 0.914 20 5 CCBDMN CSc1cccc(C(=O)NCc2nn[nH]n2)c1[N+](=O)[O-] ZINC000614456599 364614885 /nfs/dbraw/zinc/61/48/85/364614885.db2.gz HHDLIDLVFYKALU-UHFFFAOYSA-N 0 1 294.296 0.760 20 5 CCBDMN C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)CN1C ZINC000330601336 203023504 /nfs/dbraw/zinc/02/35/04/203023504.db2.gz VRZBJCHADTUKDO-GHMZBOCLSA-N 0 1 295.343 0.732 20 5 CCBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1nnnc1CN ZINC000574274632 335005725 /nfs/dbraw/zinc/00/57/25/335005725.db2.gz LXTQQFUQAJXUKI-UHFFFAOYSA-N 0 1 292.299 0.876 20 5 CCBDMN C[NH+](C)C(C)(C)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000276525076 193367156 /nfs/dbraw/zinc/36/71/56/193367156.db2.gz CMQIXIACHJFENL-UHFFFAOYSA-N 0 1 282.300 0.765 20 5 CCBDMN Cc1ccc(CN2C[C@H](CO)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000459692662 249054329 /nfs/dbraw/zinc/05/43/29/249054329.db2.gz FFZAYKYFVOPDEE-DGCLKSJQSA-N 0 1 266.297 0.688 20 5 CCBDMN CO[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C(=O)[O-])C1 ZINC000515672872 249143121 /nfs/dbraw/zinc/14/31/21/249143121.db2.gz KYVZKZUYMPIMCU-UWVGGRQHSA-N 0 1 298.299 0.355 20 5 CCBDMN O=C(N[C@@]1(CCO)CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000278233328 193873619 /nfs/dbraw/zinc/87/36/19/193873619.db2.gz YTDSLMPNNKDCKM-ZDUSSCGKSA-N 0 1 296.279 0.572 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CCO)C2CC2)c1[N+](=O)[O-] ZINC000278502238 194014678 /nfs/dbraw/zinc/01/46/78/194014678.db2.gz WXWLSCRSGNTWIM-UHFFFAOYSA-N 0 1 268.273 0.477 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2COC[C@H]2O)c1[N+](=O)[O-] ZINC000288439818 197078846 /nfs/dbraw/zinc/07/88/46/197078846.db2.gz OTWGYBGTJQYXJX-HTQZYQBOSA-N 0 1 298.299 0.273 20 5 CCBDMN CC[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193448836 389070154 /nfs/dbraw/zinc/07/01/54/389070154.db2.gz NOJZZZXVCSCLBP-JTQLQIEISA-N 0 1 294.311 0.910 20 5 CCBDMN CC[N@@H+]1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193448836 389070157 /nfs/dbraw/zinc/07/01/57/389070157.db2.gz NOJZZZXVCSCLBP-JTQLQIEISA-N 0 1 294.311 0.910 20 5 CCBDMN C[C@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000355112003 389042926 /nfs/dbraw/zinc/04/29/26/389042926.db2.gz MKJYOKMZRKDOSF-NKWVEPMBSA-N 0 1 254.246 0.615 20 5 CCBDMN C[C@H](O)CN(CCO)Cc1ccccc1[N+](=O)[O-] ZINC000310983161 389100059 /nfs/dbraw/zinc/10/00/59/389100059.db2.gz RHWFHNJFEACCOW-JTQLQIEISA-N 0 1 254.286 0.770 20 5 CCBDMN CC(C)N(CC(N)=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338897660 389118515 /nfs/dbraw/zinc/11/85/15/389118515.db2.gz DJRHSSBQOOHUEI-UHFFFAOYSA-N 0 1 267.285 0.996 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)[C@H]2CCNC2=O)c1[N+](=O)[O-] ZINC000340453716 389159828 /nfs/dbraw/zinc/15/98/28/389159828.db2.gz HVDIMUDZQBPYGU-QMMMGPOBSA-N 0 1 295.299 0.231 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCOC1 ZINC000131905532 389219405 /nfs/dbraw/zinc/21/94/05/389219405.db2.gz ITPLBORVKWYJOM-LLVKDONJSA-N 0 1 267.285 0.477 20 5 CCBDMN COCCN1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000264554019 389336105 /nfs/dbraw/zinc/33/61/05/389336105.db2.gz DFNUKDXTWLKZIV-MRVPVSSYSA-N 0 1 282.304 0.100 20 5 CCBDMN O=C(C[C@H]1COCCN1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000262061154 389280650 /nfs/dbraw/zinc/28/06/50/389280650.db2.gz IOCKEWAMSHEIDI-NSHDSACASA-N 0 1 291.307 0.862 20 5 CCBDMN CS[C@@H](CO)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159645650 389370571 /nfs/dbraw/zinc/37/05/71/389370571.db2.gz AAVSOUPZCZJGNW-FSPLSTOPSA-N 0 1 274.302 0.160 20 5 CCBDMN C[N@H+]1CC[C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160090295 389380575 /nfs/dbraw/zinc/38/05/75/389380575.db2.gz NQGWEENAXUOHFW-SECBINFHSA-N 0 1 279.296 0.982 20 5 CCBDMN O=C(NCCCOCC1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159304982 389363578 /nfs/dbraw/zinc/36/35/78/389363578.db2.gz JHDBPNUWTVGESU-UHFFFAOYSA-N 0 1 268.273 0.864 20 5 CCBDMN CN(C)C(=O)NCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272527247 389468392 /nfs/dbraw/zinc/46/83/92/389468392.db2.gz IPWDBJWNRPUXRI-UHFFFAOYSA-N 0 1 296.283 0.301 20 5 CCBDMN CC[C@@H](CO)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273670549 389477003 /nfs/dbraw/zinc/47/70/03/389477003.db2.gz XPGRAYSWKNTJAT-JTQLQIEISA-N 0 1 281.316 0.278 20 5 CCBDMN CN(Cc1nnc[nH]1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000174810776 389530662 /nfs/dbraw/zinc/53/06/62/389530662.db2.gz VKHBFEQSIOXUCZ-UHFFFAOYSA-N 0 1 290.283 0.444 20 5 CCBDMN C[N@@H+](CCn1cccn1)CCn1ccc([N+](=O)[O-])n1 ZINC000176239525 389554797 /nfs/dbraw/zinc/55/47/97/389554797.db2.gz MDXHDUVRKGLIGL-UHFFFAOYSA-N 0 1 264.289 0.620 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(OC[C@H]2CCOC2)CC1 ZINC000374625493 389593728 /nfs/dbraw/zinc/59/37/28/389593728.db2.gz BPAWPIGMXBXPJQ-CYZMBNFOSA-N 0 1 298.339 0.696 20 5 CCBDMN CC1(C)CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCN1 ZINC000415390822 389680791 /nfs/dbraw/zinc/68/07/91/389680791.db2.gz VDFBJQVWJHXJRP-UHFFFAOYSA-N 0 1 279.300 0.627 20 5 CCBDMN CCc1nc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)n[nH]1 ZINC000392574968 389774727 /nfs/dbraw/zinc/77/47/27/389774727.db2.gz QDPLDBKPEKEWSQ-UHFFFAOYSA-N 0 1 291.271 0.183 20 5 CCBDMN O=C(NCc1nnc[nH]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352226894 389775133 /nfs/dbraw/zinc/77/51/33/389775133.db2.gz XJPNXHUPGXSVAA-UHFFFAOYSA-N 0 1 291.223 0.372 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(CCO)C2)c1[N+](=O)[O-] ZINC000444350827 389903089 /nfs/dbraw/zinc/90/30/89/389903089.db2.gz ILGNAJCJOBPCKQ-UHFFFAOYSA-N 0 1 268.273 0.335 20 5 CCBDMN COc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])nc1 ZINC000444475977 389907548 /nfs/dbraw/zinc/90/75/48/389907548.db2.gz GGWTZVXSNHOLFV-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cnn[nH]1 ZINC000444633796 389911285 /nfs/dbraw/zinc/91/12/85/389911285.db2.gz DZUKUYNVWDQMGY-UHFFFAOYSA-N 0 1 287.239 0.519 20 5 CCBDMN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](C)[NH3+] ZINC000420440197 390004254 /nfs/dbraw/zinc/00/42/54/390004254.db2.gz NHFXFKACBYLZRS-NTSWFWBYSA-N 0 1 279.343 0.670 20 5 CCBDMN Cc1nc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n[nH]1 ZINC000488262839 390092350 /nfs/dbraw/zinc/09/23/50/390092350.db2.gz ISUBFBNBOQFGBD-UHFFFAOYSA-N 0 1 287.235 0.818 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)c2cc([N+](=O)[O-])cn2C)n1 ZINC000536688604 390170914 /nfs/dbraw/zinc/17/09/14/390170914.db2.gz CKPCTNKKAZYWDN-UHFFFAOYSA-N 0 1 278.272 0.332 20 5 CCBDMN C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000282211167 195538584 /nfs/dbraw/zinc/53/85/84/195538584.db2.gz PLDYOCYLRQJPMY-HQJQHLMTSA-N 0 1 293.279 0.555 20 5 CCBDMN CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000566677891 390638499 /nfs/dbraw/zinc/63/84/99/390638499.db2.gz XDVAMTLDXAHKOU-ZCFIWIBFSA-N 0 1 254.246 0.163 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2CC[C@H](CO)[C@@H](O)C2)c1 ZINC000521527818 390609403 /nfs/dbraw/zinc/60/94/03/390609403.db2.gz LJACLMMFACEOHY-RISCZKNCSA-N 0 1 296.323 0.649 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000341815227 130053208 /nfs/dbraw/zinc/05/32/08/130053208.db2.gz FQXOBDFXPQKIJX-SFYZADRCSA-N 0 1 268.273 0.612 20 5 CCBDMN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN1 ZINC000237428498 131030170 /nfs/dbraw/zinc/03/01/70/131030170.db2.gz OLPYKDWLCDJYSN-SECBINFHSA-N 0 1 297.286 0.933 20 5 CCBDMN O=C(N[C@H](CO)CC(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000356449529 144003914 /nfs/dbraw/zinc/00/39/14/144003914.db2.gz LAZJWYSQABKTIO-BYPYZUCNSA-N 0 1 282.178 0.361 20 5 CCBDMN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CCCN1C ZINC000356730156 144027556 /nfs/dbraw/zinc/02/75/56/144027556.db2.gz HVLICILZGWPNDI-BDAKNGLRSA-N 0 1 281.316 0.541 20 5 CCBDMN O=C(N[C@H]1CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356809218 144035120 /nfs/dbraw/zinc/03/51/20/144035120.db2.gz ZUBOMJKOZBLUAH-QMMMGPOBSA-N 0 1 252.226 0.819 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccon1 ZINC000357936987 144135222 /nfs/dbraw/zinc/13/52/22/144135222.db2.gz RLQGDQIMVDTMJT-YFKPBYRVSA-N 0 1 251.202 0.797 20 5 CCBDMN C[C@H](CN1CCN(C)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000358904446 144186583 /nfs/dbraw/zinc/18/65/83/144186583.db2.gz JBUGNGLDWKMVAH-LLVKDONJSA-N 0 1 279.344 0.460 20 5 CCBDMN Cc1nccnc1N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000373021225 144389265 /nfs/dbraw/zinc/38/92/65/144389265.db2.gz HLBWLXSBIGVQPZ-GHMZBOCLSA-N 0 1 291.311 0.099 20 5 CCBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CNCCO1 ZINC000043800502 175106354 /nfs/dbraw/zinc/10/63/54/175106354.db2.gz HDAIHANHLRAVJW-LBPRGKRZSA-N 0 1 279.296 0.242 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)N1CCCCC1 ZINC000179549852 260054674 /nfs/dbraw/zinc/05/46/74/260054674.db2.gz FIELDKLLNGBEOW-MRVPVSSYSA-N 0 1 295.299 0.449 20 5 CCBDMN C[N@@H+]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274980522 277051042 /nfs/dbraw/zinc/05/10/42/277051042.db2.gz JQBYUUXIGQMIAI-UHFFFAOYSA-N 0 1 280.284 0.473 20 5 CCBDMN C[N@H+]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274980522 277051043 /nfs/dbraw/zinc/05/10/43/277051043.db2.gz JQBYUUXIGQMIAI-UHFFFAOYSA-N 0 1 280.284 0.473 20 5 CCBDMN C[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428569547 277656481 /nfs/dbraw/zinc/65/64/81/277656481.db2.gz WLSHUMSSFARNNN-MRVPVSSYSA-N 0 1 293.279 0.603 20 5 CCBDMN C[C@@H]1[C@@H](C)N(c2nccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000357479012 279083545 /nfs/dbraw/zinc/08/35/45/279083545.db2.gz NTVIKUDLBMPZTQ-RKDXNWHRSA-N 0 1 293.327 0.618 20 5 CCBDMN C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000132544650 290128737 /nfs/dbraw/zinc/12/87/37/290128737.db2.gz YKGJGFOHZSLEFN-VIFPVBQESA-N 0 1 279.296 0.982 20 5 CCBDMN CC(C)(C)c1nc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)n[nH]1 ZINC000458031023 526844937 /nfs/dbraw/zinc/84/49/37/526844937.db2.gz RFVUIIUSHAHWPV-UHFFFAOYSA-N 0 1 293.287 0.664 20 5 CCBDMN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000365165513 526926728 /nfs/dbraw/zinc/92/67/28/526926728.db2.gz ZSDAHGOQALGKQU-IJLUTSLNSA-N 0 1 289.291 0.573 20 5 CCBDMN CCC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000425018166 528326195 /nfs/dbraw/zinc/32/61/95/528326195.db2.gz KGZZMMZWXMOBMB-UHFFFAOYSA-N 0 1 281.272 0.278 20 5 CCBDMN CC(C)CN(CC(N)=O)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356723101 535044064 /nfs/dbraw/zinc/04/40/64/535044064.db2.gz DOJBVUMAFROTBE-UHFFFAOYSA-N 0 1 295.295 0.884 20 5 CCBDMN C[NH+](C)CCOCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000346006997 535899651 /nfs/dbraw/zinc/89/96/51/535899651.db2.gz NIAZLHZSAIMWII-UHFFFAOYSA-N 0 1 298.299 0.003 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000346715700 536001717 /nfs/dbraw/zinc/00/17/17/536001717.db2.gz NLVUPJBBSCDMGC-JGVFFNPUSA-N 0 1 282.300 0.866 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000269009057 536001775 /nfs/dbraw/zinc/00/17/75/536001775.db2.gz GPGOPLAOFMWJBZ-ZCFIWIBFSA-N 0 1 254.246 0.087 20 5 CCBDMN O=C(NCC1CC1)[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791054641 581206443 /nfs/dbraw/zinc/20/64/43/581206443.db2.gz WOBXPVWGQVYDMG-LLVKDONJSA-N 0 1 255.318 0.501 20 5 CCBDMN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2N)n[nH]1 ZINC000795219837 581401686 /nfs/dbraw/zinc/40/16/86/581401686.db2.gz INLKUWYOQSDAIL-UHFFFAOYSA-N 0 1 277.240 0.961 20 5 CCBDMN CC(C)c1n[nH]c(COC(=O)Cn2cnc([N+](=O)[O-])n2)n1 ZINC000795331143 581404331 /nfs/dbraw/zinc/40/43/31/581404331.db2.gz BPHQFPINDRIGIS-UHFFFAOYSA-N 0 1 295.259 0.171 20 5 CCBDMN CC(C)c1nc(COC(=O)Cn2cnc([N+](=O)[O-])n2)n[nH]1 ZINC000795331143 581404333 /nfs/dbraw/zinc/40/43/33/581404333.db2.gz BPHQFPINDRIGIS-UHFFFAOYSA-N 0 1 295.259 0.171 20 5 CCBDMN CCc1cc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)n[nH]1 ZINC000796387853 581439535 /nfs/dbraw/zinc/43/95/35/581439535.db2.gz IDYHGCQISFHZCJ-UHFFFAOYSA-N 0 1 264.245 0.533 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(F)(F)CC2)c1 ZINC000796542948 581443338 /nfs/dbraw/zinc/44/33/38/581443338.db2.gz NFECNHQWPZATNE-JTQLQIEISA-N 0 1 290.270 0.883 20 5 CCBDMN Cc1cc(C(=O)OCc2nn(C)c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000765388370 581510647 /nfs/dbraw/zinc/51/06/47/581510647.db2.gz CROMKNCYQZVTBZ-UHFFFAOYSA-N 0 1 292.251 0.682 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC3(CC2)OCCO3)c1[N+](=O)[O-] ZINC000747329698 581937201 /nfs/dbraw/zinc/93/72/01/581937201.db2.gz WXYQSEZCPUPNPB-UHFFFAOYSA-N 0 1 296.283 0.605 20 5 CCBDMN COC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)OC ZINC000774744166 581994137 /nfs/dbraw/zinc/99/41/37/581994137.db2.gz OPMXCTLIDKBYAS-SSDOTTSWSA-N 0 1 272.213 0.268 20 5 CCBDMN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000763882962 582018794 /nfs/dbraw/zinc/01/87/94/582018794.db2.gz XXASJBHMRTXHMW-KGLIPLIRSA-N 0 1 296.323 0.711 20 5 CCBDMN O=C(CCc1nc[nH]n1)OCCn1cc([N+](=O)[O-])cn1 ZINC000764007076 582026275 /nfs/dbraw/zinc/02/62/75/582026275.db2.gz XUDJTHQESIABHE-UHFFFAOYSA-N 0 1 280.244 0.085 20 5 CCBDMN O=C(O[C@@H]1CCCNC1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000776106614 582051532 /nfs/dbraw/zinc/05/15/32/582051532.db2.gz CHPFAHMDPRGUNB-SSDOTTSWSA-N 0 1 253.214 0.358 20 5 CCBDMN CN1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1=O ZINC000764719170 582064256 /nfs/dbraw/zinc/06/42/56/582064256.db2.gz DTSVXXKGYQDIPY-ZCFIWIBFSA-N 0 1 253.214 0.310 20 5 CCBDMN O=C([O-])[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000819287053 601375960 /nfs/dbraw/zinc/37/59/60/601375960.db2.gz PVPHFIJZYCEBAF-QMMMGPOBSA-N 0 1 254.246 0.198 20 5 CCBDMN O=C([O-])NC[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000832573415 603998606 /nfs/dbraw/zinc/99/86/06/603998606.db2.gz OBGCIEHXESAWLM-VIFPVBQESA-N 0 1 283.288 0.523 20 5 CCBDMN COc1cc(OC)cc([C@H](O)CNCC[N+](=O)[O-])c1 ZINC000905341669 617211764 /nfs/dbraw/zinc/21/17/64/617211764.db2.gz QAZKOSPQTGMEIT-GFCCVEGCSA-N 0 1 270.285 0.604 20 5 CCBDMN CC(C)(NC[C@H](O)CO)c1ccccc1[N+](=O)[O-] ZINC000930554332 614170500 /nfs/dbraw/zinc/17/05/00/614170500.db2.gz IYLYLEBSHDIKOT-VIFPVBQESA-N 0 1 254.286 0.773 20 5 CCBDMN COc1cccc(OC)c1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855386892 617306053 /nfs/dbraw/zinc/30/60/53/617306053.db2.gz QHPPNMHXUPCWBZ-PSASIEDQSA-N 0 1 280.280 0.985 20 5 CCBDMN COc1cccc([C@@H](O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839682128 617308486 /nfs/dbraw/zinc/30/84/86/617308486.db2.gz YTINKNITJWIWIE-UTUOFQBUSA-N 0 1 280.280 0.510 20 5 CCBDMN CC(C)(C)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979755131 613890953 /nfs/dbraw/zinc/89/09/53/613890953.db2.gz IAIZPXCGGVEENC-GWOFURMSSA-N 0 1 297.355 0.709 20 5 CCBDMN CC(C)NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000798879979 613932699 /nfs/dbraw/zinc/93/26/99/613932699.db2.gz FFMRGTAKGBYCDN-SSDOTTSWSA-N 0 1 269.257 0.993 20 5 CCBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])n1ccnc1 ZINC000898909658 614105902 /nfs/dbraw/zinc/10/59/02/614105902.db2.gz DKCQYWXXQKXVBE-RKDXNWHRSA-N 0 1 252.274 0.400 20 5 CCBDMN CC(C)(F)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000972888054 614149535 /nfs/dbraw/zinc/14/95/35/614149535.db2.gz MGTJJIVYAMWVTL-FNCVBFRFSA-N 0 1 287.291 0.163 20 5 CCBDMN CC(C)([NH3+])CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000819987611 614163078 /nfs/dbraw/zinc/16/30/78/614163078.db2.gz BOIPVKVNOHBWOK-UHFFFAOYSA-N 0 1 278.276 0.319 20 5 CCBDMN CC(C)([NH3+])CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000819987611 614163079 /nfs/dbraw/zinc/16/30/79/614163079.db2.gz BOIPVKVNOHBWOK-UHFFFAOYSA-N 0 1 278.276 0.319 20 5 CCBDMN CC(C)[C@@]1(CO)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839780831 614186562 /nfs/dbraw/zinc/18/65/62/614186562.db2.gz XAVVCQNVBGJADP-WZRBSPASSA-N 0 1 270.329 0.909 20 5 CCBDMN CC(C)[C@H](N)c1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000843148447 614229130 /nfs/dbraw/zinc/22/91/30/614229130.db2.gz RWUVVFQNFREYOU-VIFPVBQESA-N 0 1 266.261 0.878 20 5 CCBDMN CC(C)[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839716314 614279180 /nfs/dbraw/zinc/27/91/80/614279180.db2.gz BVFYBKIESOQXGL-GWOFURMSSA-N 0 1 256.302 0.971 20 5 CCBDMN CCCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000839727120 614485719 /nfs/dbraw/zinc/48/57/19/614485719.db2.gz WAYKGRWBDFSEIF-HRDYMLBCSA-N 0 1 258.274 0.500 20 5 CCBDMN CCC(C)(C)NC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672789 614502676 /nfs/dbraw/zinc/50/26/76/614502676.db2.gz OHVUPNWIALOMBS-DJLDLDEBSA-N 0 1 272.301 0.888 20 5 CCBDMN CC1(C)CC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])OC1 ZINC000881515605 614559106 /nfs/dbraw/zinc/55/91/06/614559106.db2.gz LDFKDKKKLYWHPB-IVZWLZJFSA-N 0 1 256.302 0.973 20 5 CCBDMN CCN1CC[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000882483609 615243804 /nfs/dbraw/zinc/24/38/04/615243804.db2.gz GQDNBMZEMHMVSU-SECBINFHSA-N 0 1 267.289 0.002 20 5 CCBDMN CCOC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000907907553 615308759 /nfs/dbraw/zinc/30/87/59/615308759.db2.gz YWRIZQKIAZQCCK-PRJMDXOYSA-N 0 1 274.298 0.116 20 5 CCBDMN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1SC ZINC000843714668 615433351 /nfs/dbraw/zinc/43/33/51/615433351.db2.gz XQTJPYQIMWWNAU-IGORNWKESA-N 0 1 274.342 0.677 20 5 CCBDMN CN(C)C(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000839684849 615946458 /nfs/dbraw/zinc/94/64/58/615946458.db2.gz QFOHZLACUPTJLJ-NXEZZACHSA-N 0 1 283.328 0.416 20 5 CCBDMN CN(C)c1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839711940 616021608 /nfs/dbraw/zinc/02/16/08/616021608.db2.gz CKZDZSJHQBYKEW-NXEZZACHSA-N 0 1 264.285 0.429 20 5 CCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(F)(F)F ZINC000839680053 616094790 /nfs/dbraw/zinc/09/47/90/616094790.db2.gz NNTIBYSZHPLPGA-RNFRBKRXSA-N 0 1 269.223 0.262 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000808098615 616109197 /nfs/dbraw/zinc/10/91/97/616109197.db2.gz RDOZWIXJEMGSGO-UHFFFAOYSA-N 0 1 293.239 0.538 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCCN(C)C1=O ZINC000870601267 616179120 /nfs/dbraw/zinc/17/91/20/616179120.db2.gz NZUDKRXQBJPUII-OPRDCNLKSA-N 0 1 269.301 0.121 20 5 CCBDMN CN1CC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000928567424 616288036 /nfs/dbraw/zinc/28/80/36/616288036.db2.gz WIAPPCNOHBZIGE-SECBINFHSA-N 0 1 267.289 0.002 20 5 CCBDMN CN1C[C@H](O)C[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000924989827 616460632 /nfs/dbraw/zinc/46/06/32/616460632.db2.gz DRDLUATVLMSOLN-RKDXNWHRSA-N 0 1 297.286 0.529 20 5 CCBDMN COC(=O)CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000840440308 616505916 /nfs/dbraw/zinc/50/59/16/616505916.db2.gz YCPKJZSZWUUIQZ-RKDXNWHRSA-N 0 1 270.285 0.644 20 5 CCBDMN CN1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000826690850 616516759 /nfs/dbraw/zinc/51/67/59/616516759.db2.gz VMHZHPHNWRWZDJ-UPJWGTAASA-N 0 1 275.308 0.955 20 5 CCBDMN COC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840462875 616590175 /nfs/dbraw/zinc/59/01/75/616590175.db2.gz VOAFVBUCUXJIOZ-BBBLOLIVSA-N 0 1 272.301 0.698 20 5 CCBDMN COC(=O)[C@H](CNCC[N+](=O)[O-])Cc1ccccc1 ZINC000905530621 616601260 /nfs/dbraw/zinc/60/12/60/616601260.db2.gz STXRXBPWANQFHX-LBPRGKRZSA-N 0 1 266.297 0.885 20 5 CCBDMN COC[C@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)OC ZINC000851244072 616678186 /nfs/dbraw/zinc/67/81/86/616678186.db2.gz RHOVUMHDAYKSBA-SSDOTTSWSA-N 0 1 258.230 0.741 20 5 CCBDMN COC(=O)C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000855907189 616691185 /nfs/dbraw/zinc/69/11/85/616691185.db2.gz UNUJSKZSOVNLTP-OPRDCNLKSA-N 0 1 270.285 0.357 20 5 CCBDMN COC(=O)[C@H]1CSCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839934537 616694563 /nfs/dbraw/zinc/69/45/63/616694563.db2.gz LRJZTUCVPDUPFC-IWSPIJDZSA-N 0 1 288.325 0.016 20 5 CCBDMN CNC(=O)[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886005606 616877696 /nfs/dbraw/zinc/87/76/96/616877696.db2.gz FOYFWTGTCXXVPX-NSHDSACASA-N 0 1 278.312 0.948 20 5 CCBDMN CO[C@@H]1[C@@H](C)[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839721155 616892232 /nfs/dbraw/zinc/89/22/32/616892232.db2.gz OJRQBFCBNFUGML-LOLPMWEVSA-N 0 1 256.302 0.827 20 5 CCBDMN COC[C@@H](NCc1cn(C)nc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886918106 616901046 /nfs/dbraw/zinc/90/10/46/616901046.db2.gz RPHIQVOSGJXREH-CMPLNLGQSA-N 0 1 298.343 0.860 20 5 CCBDMN COC(=O)c1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000840672879 616906769 /nfs/dbraw/zinc/90/67/69/616906769.db2.gz YYEISESBEZOKKS-HTQZYQBOSA-N 0 1 269.209 0.775 20 5 CCBDMN COC(=O)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC1 ZINC000846457180 616965481 /nfs/dbraw/zinc/96/54/81/616965481.db2.gz BDHKYRQJBSANLD-OPRDCNLKSA-N 0 1 270.285 0.357 20 5 CCBDMN CN[C@@H](C)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000848628941 617043544 /nfs/dbraw/zinc/04/35/44/617043544.db2.gz UGVHURMRLNBXGQ-YFKPBYRVSA-N 0 1 252.234 0.659 20 5 CCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)C1CCC1 ZINC000976033017 625806068 /nfs/dbraw/zinc/80/60/68/625806068.db2.gz BAOLZFLOEAUHCV-ZIQFBCGOSA-N 0 1 293.323 0.025 20 5 CCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000840669697 631604880 /nfs/dbraw/zinc/60/48/80/631604880.db2.gz IEIYZLGDAIFBAX-BWZBUEFSSA-N 0 1 259.258 0.925 20 5 CCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000840673128 631710955 /nfs/dbraw/zinc/71/09/55/631710955.db2.gz HUKDRDKHYOTKQI-YUSALJHKSA-N 0 1 292.291 0.900 20 5 CCBDMN Cc1occc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991280233 635834694 /nfs/dbraw/zinc/83/46/94/635834694.db2.gz OBYHRKCSMJMHJX-GHMZBOCLSA-N 0 1 293.279 0.194 20 5 CCBDMN CN1CC[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000227219676 637013296 /nfs/dbraw/zinc/01/32/96/637013296.db2.gz TVVNYBBLTZZQKR-VXGBXAGGSA-N 0 1 279.296 0.449 20 5 CCBDMN O=C(NC[C@@H](O)C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839640286 640349988 /nfs/dbraw/zinc/34/99/88/640349988.db2.gz JEAOCPNZEBUQHQ-GMTAPVOTSA-N 0 1 256.302 0.709 20 5 CCBDMN Cc1ccc([C@H](O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000839690975 640350565 /nfs/dbraw/zinc/35/05/65/640350565.db2.gz FCBSUJMIHAYSTB-IWSPIJDZSA-N 0 1 254.242 0.403 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000839694033 640352247 /nfs/dbraw/zinc/35/22/47/640352247.db2.gz KTMMZZUEKYPJPV-WCTZXXKLSA-N 0 1 282.218 0.830 20 5 CCBDMN O=C(NCC[C@H]1COc2ccccc2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000839706655 640354567 /nfs/dbraw/zinc/35/45/67/640354567.db2.gz YUELIBYEGLSDFG-HBNTYKKESA-N 0 1 292.291 0.998 20 5 CCBDMN O=C(NCc1ccn2ccnc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839703265 640354860 /nfs/dbraw/zinc/35/48/60/640354860.db2.gz ASHPKMRJQOTMKU-NXEZZACHSA-N 0 1 260.253 0.616 20 5 CCBDMN COc1ccccc1[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839725664 640358272 /nfs/dbraw/zinc/35/82/72/640358272.db2.gz UBGZNRMQXTXZTC-OUAUKWLOSA-N 0 1 280.280 0.510 20 5 CCBDMN O=C(N[C@H](CO)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839725625 640358586 /nfs/dbraw/zinc/35/85/86/640358586.db2.gz SWQULLWAIIANNT-GMTAPVOTSA-N 0 1 250.254 0.501 20 5 CCBDMN O=C(NCC1(c2ccccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839724934 640358711 /nfs/dbraw/zinc/35/87/11/640358711.db2.gz SVEWOPGJFOZOGL-NXEZZACHSA-N 0 1 261.281 0.895 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000839779899 640364958 /nfs/dbraw/zinc/36/49/58/640364958.db2.gz NREFNJCVNNHGLZ-HNCHTBHHSA-N 0 1 266.297 0.822 20 5 CCBDMN Cn1ncc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000805216608 640376977 /nfs/dbraw/zinc/37/69/77/640376977.db2.gz WRQSPVPDXMRNBL-UHFFFAOYSA-N 0 1 277.240 0.359 20 5 CCBDMN C[C@H]1[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CC(=O)N1C ZINC000806073682 640458572 /nfs/dbraw/zinc/45/85/72/640458572.db2.gz HSJRFOCHJUZFFP-XPUUQOCRSA-N 0 1 267.241 0.699 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccnc2F)c1 ZINC000819276061 641396572 /nfs/dbraw/zinc/39/65/72/641396572.db2.gz ABOHSVAUMUVPDP-LLVKDONJSA-N 0 1 295.274 0.476 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](n2ccnn2)C1 ZINC000819639143 641422932 /nfs/dbraw/zinc/42/29/32/641422932.db2.gz CQHNDVBJPXQAJQ-OPRDCNLKSA-N 0 1 265.273 0.107 20 5 CCBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc(C(N)=O)c1 ZINC000840472644 641689439 /nfs/dbraw/zinc/68/94/39/641689439.db2.gz NDPCCWJDIJBPHZ-NXEZZACHSA-N 0 1 263.253 0.698 20 5 CCBDMN O=C(NC[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000834366645 642557686 /nfs/dbraw/zinc/55/76/86/642557686.db2.gz LWYNUKUGJFDEIS-FBDQPXRJSA-N 0 1 254.286 0.725 20 5 CCBDMN O=C(OC1CCN(CC(F)F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842332719 642892218 /nfs/dbraw/zinc/89/22/18/642892218.db2.gz SDZWAIRRPOAKJT-RKDXNWHRSA-N 0 1 278.255 0.924 20 5 CCBDMN O=C(NCC1=CCN(C(=O)C2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001017440956 650803102 /nfs/dbraw/zinc/80/31/02/650803102.db2.gz SVEOVUMGRCEDSB-VXGBXAGGSA-N 0 1 293.323 0.337 20 5 CCBDMN Cn1cc([C@@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)cn1 ZINC000848142191 643609466 /nfs/dbraw/zinc/60/94/66/643609466.db2.gz LGZXJTQCPHXNSB-KKOKHZNYSA-N 0 1 294.311 0.422 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2ccccn2)CC1 ZINC000107840687 643678967 /nfs/dbraw/zinc/67/89/67/643678967.db2.gz HMGVCOUYKAHQBZ-GHMZBOCLSA-N 0 1 276.296 0.395 20 5 CCBDMN Cn1cc(N2CC[C@@H](COC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000851410517 643848496 /nfs/dbraw/zinc/84/84/96/643848496.db2.gz RHCJBBXSLKUFNP-YUSALJHKSA-N 0 1 294.311 0.455 20 5 CCBDMN CCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001018643874 650889535 /nfs/dbraw/zinc/88/95/35/650889535.db2.gz ZBKZVAOEHAHMEV-NXEZZACHSA-N 0 1 281.312 0.123 20 5 CCBDMN C[C@@]1(C(F)F)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000856497485 644424479 /nfs/dbraw/zinc/42/44/79/644424479.db2.gz VJBOMOVJGBYKFP-XSSZXYGBSA-N 0 1 264.228 0.534 20 5 CCBDMN O=[N+]([O-])c1c(NCC[N@@H+]2CC[C@H](O)C2)nc2ccccn21 ZINC000858866636 644656402 /nfs/dbraw/zinc/65/64/02/644656402.db2.gz CYGSYRDXHRALQR-JTQLQIEISA-N 0 1 291.311 0.721 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC2(C)C)n1 ZINC000859159491 644671531 /nfs/dbraw/zinc/67/15/31/644671531.db2.gz LMRILMBAWKSYMX-QMMMGPOBSA-N 0 1 288.329 0.795 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H]1CCCCNC1=O ZINC000878051984 646863894 /nfs/dbraw/zinc/86/38/94/646863894.db2.gz IQJCHGYJDIJZJL-LLVKDONJSA-N 0 1 295.343 0.700 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H]3C[C@]3(O)C2)c1 ZINC000880418159 647198827 /nfs/dbraw/zinc/19/88/27/647198827.db2.gz CYKRUPDMZXOZEZ-UHTWSYAYSA-N 0 1 264.281 0.695 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2COCCN2)c1C ZINC000884436958 647736528 /nfs/dbraw/zinc/73/65/28/647736528.db2.gz TUOBKIPDACQVGU-LLVKDONJSA-N 0 1 293.323 0.930 20 5 CCBDMN O=C(NCc1nc2c(s1)COCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000885968416 647889155 /nfs/dbraw/zinc/88/91/55/647889155.db2.gz MTFBTQLVNAVRBZ-HTRCEHHLSA-N 0 1 283.309 0.497 20 5 CCBDMN O=C(N[C@@H](CO)CCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000928268658 648625852 /nfs/dbraw/zinc/62/58/52/648625852.db2.gz MQCITCAKQJCAQD-JHJVBQTASA-N 0 1 278.308 0.762 20 5 CCBDMN C[C@H](O)[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000929154900 648708285 /nfs/dbraw/zinc/70/82/85/648708285.db2.gz ULGAUPSJYFQPHS-SMDDNHRTSA-N 0 1 295.339 0.459 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000080538171 649555686 /nfs/dbraw/zinc/55/56/86/649555686.db2.gz PNKQGXRSKPMDSG-UHFFFAOYSA-N 0 1 276.256 0.567 20 5 CCBDMN COc1nc(N2C[C@H](C)N(C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164631651 719147898 /nfs/dbraw/zinc/14/78/98/719147898.db2.gz OAXXOHOTDZLKMJ-IUCAKERBSA-N 0 1 281.316 0.922 20 5 CCBDMN Cc1cnc(N2C[C@H]3OCCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000408228681 719372393 /nfs/dbraw/zinc/37/23/93/719372393.db2.gz YZXVRUKBUAMPNQ-NWDGAFQWSA-N 0 1 278.312 0.817 20 5 CCBDMN Cc1ccnc(N2C[C@@H]3[C@H](C2)OCCN3C)c1[N+](=O)[O-] ZINC000301663902 719379837 /nfs/dbraw/zinc/37/98/37/719379837.db2.gz NNAGHIUDIABIBD-MNOVXSKESA-N 0 1 278.312 0.817 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2cccnc2[N+](=O)[O-])S1 ZINC001163667300 802588585 /nfs/dbraw/zinc/58/85/85/802588585.db2.gz RCDRJGRXRLNKMK-SSDOTTSWSA-N 0 1 254.227 0.711 20 5 CCBDMN COC(=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccncc1 ZINC001163781536 802611137 /nfs/dbraw/zinc/61/11/37/802611137.db2.gz QRCAHLAZCZMXCM-OUAUKWLOSA-N 0 1 293.279 0.467 20 5 CCBDMN COC(=O)[C@@H]1CNCCN1c1ncc([N+](=O)[O-])cc1F ZINC001165440237 802843615 /nfs/dbraw/zinc/84/36/15/802843615.db2.gz YEBDTBSGUZSETA-VIFPVBQESA-N 0 1 284.247 0.080 20 5 CCBDMN O=c1[nH]c(C2CC2)nc(OC2CC(O)C2)c1[N+](=O)[O-] ZINC001218258104 803943521 /nfs/dbraw/zinc/94/35/21/803943521.db2.gz RQNITYHCLGQAIQ-UHFFFAOYSA-N 0 1 267.241 0.870 20 5 CCBDMN NN1CCC(Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001228603127 805458200 /nfs/dbraw/zinc/45/82/00/805458200.db2.gz IZAHMADAVGOWMT-UHFFFAOYSA-N 0 1 295.299 0.685 20 5 CCBDMN C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396374 805528532 /nfs/dbraw/zinc/52/85/32/805528532.db2.gz SKDBMMXNMCVCNF-SNVBAGLBSA-O 0 1 299.303 0.663 20 5 CCBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCOC[C@@H](O)C1)C2 ZINC001254594996 808265042 /nfs/dbraw/zinc/26/50/42/808265042.db2.gz UQMQNDVHRDDHES-KBPBESRZSA-N 0 1 278.308 0.755 20 5 CCBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H](c2nc[nH]n2)C1 ZINC001261862349 809113889 /nfs/dbraw/zinc/11/38/89/809113889.db2.gz SZVJFFGNDNSMIZ-ZCFIWIBFSA-N 0 1 277.244 0.066 20 5 CCBDMN COc1cc([N+](=O)[O-])cnc1-n1c(C)ncc(CN)c1=N ZINC001167671977 811115975 /nfs/dbraw/zinc/11/59/75/811115975.db2.gz SUCLBZVYNRMNKN-UHFFFAOYSA-N 0 1 290.283 0.431 20 5 CCBDMN Cc1ccccc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292454 815961541 /nfs/dbraw/zinc/96/15/41/815961541.db2.gz JVBSMFZMEWXMQB-ZIAGYGMSSA-N 0 1 289.335 0.961 20 5 CCBDMN O=C(NC1CN(Cc2cscn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030294695 815963484 /nfs/dbraw/zinc/96/34/84/815963484.db2.gz RASWCBHDPOVABH-NXEZZACHSA-N 0 1 282.325 0.109 20 5 CCBDMN CCN1C[C@@H](C)N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1=O ZINC001169042101 836114215 /nfs/dbraw/zinc/11/42/15/836114215.db2.gz CWPGWQFPAVTDQY-GRYCIOLGSA-N 0 1 269.345 0.984 20 5 CCBDMN COc1nc(C)c([N+](=O)[O-])c(N[C@H]2CCN(C)C2)n1 ZINC001156580268 836616417 /nfs/dbraw/zinc/61/64/17/836616417.db2.gz JVGRXJAUCMFBPZ-QMMMGPOBSA-N 0 1 267.289 0.818 20 5 CCBDMN CN1CC[C@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001133923416 838780673 /nfs/dbraw/zinc/78/06/73/838780673.db2.gz LDEXOZMZLWTSPN-VIFPVBQESA-N 0 1 289.295 0.905 20 5 CCBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1nnnc1CN ZINC001173235859 842023089 /nfs/dbraw/zinc/02/30/89/842023089.db2.gz VLBGTPJYPPFYOE-MRVPVSSYSA-N 0 1 262.273 0.844 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCc1cccnn1 ZINC001189701270 845194416 /nfs/dbraw/zinc/19/44/16/845194416.db2.gz FCMKBLROGQGYQB-UHFFFAOYSA-N 0 1 295.280 0.258 20 5 CCBDMN O=C(NCCN1CC=CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001326485134 913982625 /nfs/dbraw/zinc/98/26/25/913982625.db2.gz NTWPCQKYPDPTAF-UHFFFAOYSA-N 0 1 278.268 0.297 20 5 CCBDMN Cc1n[nH]c(=O)c(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001136636854 899858100 /nfs/dbraw/zinc/85/81/00/899858100.db2.gz PXYOKDQIRVGZSP-VXNVDRBHSA-N 0 1 266.257 0.080 20 5 CCBDMN CN(CC(=O)OCc1nnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC001327132235 914390102 /nfs/dbraw/zinc/39/01/02/914390102.db2.gz ZZEWHYIUPKCDAL-UHFFFAOYSA-N 0 1 291.267 0.893 20 5 CCBDMN COC(=O)[C@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC001293708899 906507156 /nfs/dbraw/zinc/50/71/56/906507156.db2.gz TUQRRHVKYZFOKV-LLVKDONJSA-N 0 1 282.256 0.389 20 5 CCBDMN Cn1ccnc1[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC001337948587 921323540 /nfs/dbraw/zinc/32/35/40/921323540.db2.gz NULCPSKCQPLQGS-QYNIQEEDSA-N 0 1 292.217 0.805 20 5 CCBDMN CO[C@@H]1CCCN(NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001303797582 908115702 /nfs/dbraw/zinc/11/57/02/908115702.db2.gz NXZIYLQSFRNPNZ-SSDOTTSWSA-N 0 1 269.261 0.074 20 5 CCBDMN CC1(C)C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCS1(=O)=O ZINC001304234548 908158623 /nfs/dbraw/zinc/15/86/23/908158623.db2.gz IVJSJCFCVILIFX-DJLDLDEBSA-N 0 1 290.341 0.124 20 5 CCBDMN CC(=O)NC1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC001318151147 909643450 /nfs/dbraw/zinc/64/34/50/909643450.db2.gz RYOWHCAJPKQPQQ-UHFFFAOYSA-N 0 1 295.299 0.367 20 5 CCBDMN Cc1[nH]ncc1CCCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001319893225 910336005 /nfs/dbraw/zinc/33/60/05/910336005.db2.gz SXIWMFUUQKOEOO-UHFFFAOYSA-N 0 1 292.299 0.722 20 5 CCBDMN Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c[nH]c1=O ZINC001320395187 910654349 /nfs/dbraw/zinc/65/43/49/910654349.db2.gz RSKBEFSISSESAL-UHFFFAOYSA-N 0 1 263.213 0.979 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cnc[nH]1 ZINC001322302069 911754973 /nfs/dbraw/zinc/75/49/73/911754973.db2.gz XPUVGVPFVSDIEI-UHFFFAOYSA-N 0 1 278.272 0.529 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCn3ccnc32)c1 ZINC001327993787 914912479 /nfs/dbraw/zinc/91/24/79/914912479.db2.gz XOVSWXCWWBDLDV-GHMZBOCLSA-N 0 1 292.299 0.083 20 5 CCBDMN CCOC(=O)C[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001328616927 915312605 /nfs/dbraw/zinc/31/26/05/915312605.db2.gz RKMHWWYWUXERRQ-OPRDCNLKSA-N 0 1 270.285 0.596 20 5 CCBDMN COCc1nc(CNC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 ZINC001334499169 919625723 /nfs/dbraw/zinc/62/57/23/919625723.db2.gz HMUBEGJHSSXNDA-UHFFFAOYSA-N 0 1 281.228 0.382 20 5 CCBDMN COCc1nnc(CNC(=O)c2ccc([N+](=O)[O-])o2)[nH]1 ZINC001334499169 919625738 /nfs/dbraw/zinc/62/57/38/919625738.db2.gz HMUBEGJHSSXNDA-UHFFFAOYSA-N 0 1 281.228 0.382 20 5 CCBDMN Cn1cccc1[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001345064193 923779546 /nfs/dbraw/zinc/77/95/46/923779546.db2.gz ATNZQBMHEZVYQG-JLLWLGSASA-N 0 1 279.296 0.590 20 5 CCBDMN O=C(NCCNC(=O)C1(CCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001348934967 924846920 /nfs/dbraw/zinc/84/69/20/924846920.db2.gz CWTUZCZYJDTSHN-RKDXNWHRSA-N 0 1 287.291 0.024 20 5 CCBDMN CN(CCNC(=O)CC1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355535361 926278447 /nfs/dbraw/zinc/27/84/47/926278447.db2.gz GBHYWCHRXSTUIJ-GHMZBOCLSA-N 0 1 283.328 0.416 20 5 CCBDMN C/C=C(\C)C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001357710550 926588203 /nfs/dbraw/zinc/58/82/03/926588203.db2.gz SAVDWKVFTHKAMV-UKOOUWINSA-N 0 1 281.312 0.406 20 5 CCBDMN C[C@H](C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)C(=O)[O-] ZINC001589034369 955549970 /nfs/dbraw/zinc/54/99/70/955549970.db2.gz ZWPHDENQAABHCO-SECBINFHSA-N 0 1 283.284 0.409 20 5 CCBDMN C[C@@H](C(=O)[O-])[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC001588596104 959369828 /nfs/dbraw/zinc/36/98/28/959369828.db2.gz AQUKKWZFHUYXIQ-VIFPVBQESA-N 0 1 295.295 0.694 20 5 CCBDMN C[N@H+](CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)CC(=O)[O-] ZINC001598492466 992316021 /nfs/dbraw/zinc/31/60/21/992316021.db2.gz MPSQZMBHIACWOY-UHFFFAOYSA-N 0 1 297.267 0.047 20 5 CCBDMN C[N@@H+](CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)CC(=O)[O-] ZINC001598492466 992316032 /nfs/dbraw/zinc/31/60/32/992316032.db2.gz MPSQZMBHIACWOY-UHFFFAOYSA-N 0 1 297.267 0.047 20 5 CCBDMN C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)CC(=O)[O-] ZINC001598503350 992466014 /nfs/dbraw/zinc/46/60/14/992466014.db2.gz AGRBFUBNQUQPJL-UHFFFAOYSA-N 0 1 270.289 0.976 20 5 CCBDMN C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)CC(=O)[O-] ZINC001598503981 992475227 /nfs/dbraw/zinc/47/52/27/992475227.db2.gz NNUGNZCEFMXGGQ-UHFFFAOYSA-N 0 1 270.289 0.976 20 5 CCBDMN COc1cc(CNC[C@@H]2COCCO2)c([N+](=O)[O-])cc1O ZINC000337851990 214286982 /nfs/dbraw/zinc/28/69/82/214286982.db2.gz GACHDOGWOQGLHD-SNVBAGLBSA-N 0 1 298.295 0.814 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(O)(C(F)F)C2)c1[N+](=O)[O-] ZINC000425014802 529465778 /nfs/dbraw/zinc/46/57/78/529465778.db2.gz DJIREEXDVBGVNL-UHFFFAOYSA-N 0 1 290.226 0.332 20 5 CCBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000412721907 529678512 /nfs/dbraw/zinc/67/85/12/529678512.db2.gz PPINOKMLQUKGPD-XCBNKYQSSA-N 0 1 270.289 0.843 20 5 CCBDMN Cc1cccc(C(=O)NCCN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600809677 362067257 /nfs/dbraw/zinc/06/72/57/362067257.db2.gz WKKAVULTUHNLAC-NSHDSACASA-N 0 1 293.323 0.700 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CC[C@H](O)C1 ZINC000600809555 362067438 /nfs/dbraw/zinc/06/74/38/362067438.db2.gz UPHSICFDQIGHMZ-LBPRGKRZSA-N 0 1 293.323 0.700 20 5 CCBDMN O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1COCCN1 ZINC000600953754 362098120 /nfs/dbraw/zinc/09/81/20/362098120.db2.gz BUIDWFBNIWKRDM-LLVKDONJSA-N 0 1 288.307 0.965 20 5 CCBDMN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000178909406 231815737 /nfs/dbraw/zinc/81/57/37/231815737.db2.gz GNRJNKNIXKGBHA-LURJTMIESA-N 0 1 279.343 0.672 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(CO)CC1 ZINC000305266221 201744639 /nfs/dbraw/zinc/74/46/39/201744639.db2.gz VGPJCVYMSGQNDX-UHFFFAOYSA-N 0 1 281.312 0.461 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCCN(C)C1=O ZINC000601968318 362441791 /nfs/dbraw/zinc/44/17/91/362441791.db2.gz DVTCBWTZQKJXRF-GFCCVEGCSA-N 0 1 295.343 0.734 20 5 CCBDMN CN(Cc1cn(C)nc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000602484499 362640489 /nfs/dbraw/zinc/64/04/89/362640489.db2.gz NTFAKPLSLRXFNC-VIFPVBQESA-N 0 1 254.290 0.797 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1ccc([N+](=O)[O-])cc1Cl ZINC000602556748 362678864 /nfs/dbraw/zinc/67/88/64/362678864.db2.gz LXOKUGLBKGLMAN-QMMMGPOBSA-N 0 1 299.714 0.966 20 5 CCBDMN CN(Cc1cn(C)nc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000602626863 362720442 /nfs/dbraw/zinc/72/04/42/362720442.db2.gz AKQMOTGFYIBRJA-UHFFFAOYSA-N 0 1 284.316 0.302 20 5 CCBDMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602796312 362804492 /nfs/dbraw/zinc/80/44/92/362804492.db2.gz FFMYKOVBFDJSPJ-VHSXEESVSA-N 0 1 267.333 0.853 20 5 CCBDMN C[C@H](O)CN1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@H](C)C1 ZINC000602813350 362813380 /nfs/dbraw/zinc/81/33/80/362813380.db2.gz XVKMVUUHOQTJQN-MNOVXSKESA-N 0 1 297.359 0.215 20 5 CCBDMN Cn1cc(CN2CCN(C)CC2(C)C)c([N+](=O)[O-])n1 ZINC000602800594 362807417 /nfs/dbraw/zinc/80/74/17/362807417.db2.gz QSWOATWHJPQFBQ-UHFFFAOYSA-N 0 1 267.333 0.854 20 5 CCBDMN Cn1cc(CN[C@H]2COCC2(C)C)c([N+](=O)[O-])n1 ZINC000602837825 362827789 /nfs/dbraw/zinc/82/77/89/362827789.db2.gz ARFMFQLXSVGKPB-VIFPVBQESA-N 0 1 254.290 0.843 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344018019 137173597 /nfs/dbraw/zinc/17/35/97/137173597.db2.gz FLECJTDGMURSCA-NGZCFLSTSA-N 0 1 266.301 0.531 20 5 CCBDMN O=C(NCCc1nc[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000032227593 348132303 /nfs/dbraw/zinc/13/23/03/348132303.db2.gz JYHDXOBEJMHGNW-UHFFFAOYSA-N 0 1 261.241 0.685 20 5 CCBDMN C[C@@]1(CO)C[C@@H](O)CN1Cc1ccccc1[N+](=O)[O-] ZINC000602900300 362874220 /nfs/dbraw/zinc/87/42/20/362874220.db2.gz SVNYRDRPPIUCHX-YPMHNXCESA-N 0 1 266.297 0.912 20 5 CCBDMN CN(C)C(=O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045288416 348335287 /nfs/dbraw/zinc/33/52/87/348335287.db2.gz IPPMLHDICSQSKJ-UHFFFAOYSA-N 0 1 291.267 0.289 20 5 CCBDMN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000049388759 348451199 /nfs/dbraw/zinc/45/11/99/348451199.db2.gz LWHDSGQYYRNHBI-HTQZYQBOSA-N 0 1 273.289 0.293 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000078007095 349127505 /nfs/dbraw/zinc/12/75/05/349127505.db2.gz DAGIGVXAGBTCKU-UHFFFAOYSA-N 0 1 261.241 0.985 20 5 CCBDMN CN(Cc1nnc[nH]1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000080528217 349215716 /nfs/dbraw/zinc/21/57/16/349215716.db2.gz VIAYIRQGHHKBME-UHFFFAOYSA-N 0 1 297.296 0.534 20 5 CCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1nc[nH]n1 ZINC000080582944 349220119 /nfs/dbraw/zinc/22/01/19/349220119.db2.gz WBRXYKYMRWAGHV-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN O=C(NCCc1nc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000080583022 349220236 /nfs/dbraw/zinc/22/02/36/349220236.db2.gz LSBWZCWJHJTBLK-UHFFFAOYSA-N 0 1 261.241 0.685 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOC[C@@H]2C2CC2)c1 ZINC000090007901 349420116 /nfs/dbraw/zinc/42/01/16/349420116.db2.gz PPPNLPCHEDXLNN-CHWSQXEVSA-N 0 1 296.327 0.263 20 5 CCBDMN CC[C@@]1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000135625299 350405318 /nfs/dbraw/zinc/40/53/18/350405318.db2.gz OBTACLPFULSXPX-STQMWFEESA-N 0 1 298.343 0.653 20 5 CCBDMN O=C(NC1CCC2(CC1)OCCO2)c1n[nH]cc1[N+](=O)[O-] ZINC000136474928 350423335 /nfs/dbraw/zinc/42/33/35/350423335.db2.gz FQZKCFUYCASBQY-UHFFFAOYSA-N 0 1 296.283 0.733 20 5 CCBDMN COC[C@@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000159583826 350682029 /nfs/dbraw/zinc/68/20/29/350682029.db2.gz NTADLSVJRLWFHN-SECBINFHSA-N 0 1 253.258 0.815 20 5 CCBDMN COC[C@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000167915007 350816285 /nfs/dbraw/zinc/81/62/85/350816285.db2.gz BDSUVDBMPPKGSL-NSHDSACASA-N 0 1 267.285 0.227 20 5 CCBDMN O=[N+]([O-])c1cccc(CN2C[C@@H](O)C[C@H]2CO)c1 ZINC000186528446 351501534 /nfs/dbraw/zinc/50/15/34/351501534.db2.gz VVJATWHTZMZOHH-RYUDHWBXSA-N 0 1 252.270 0.522 20 5 CCBDMN C[C@@H]1C[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CN1C1CC1 ZINC000271456118 191148565 /nfs/dbraw/zinc/14/85/65/191148565.db2.gz WPIFDNKGVFEMJP-BDAKNGLRSA-N 0 1 293.327 0.683 20 5 CCBDMN Cc1ccnc(NC[C@@H]2COCCN2)c1[N+](=O)[O-] ZINC000235936033 352190568 /nfs/dbraw/zinc/19/05/68/352190568.db2.gz MJMJBYPLPONYOI-SECBINFHSA-N 0 1 252.274 0.699 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000236402999 352194280 /nfs/dbraw/zinc/19/42/80/352194280.db2.gz HNUSMMOZDWKKRQ-SNVBAGLBSA-N 0 1 265.269 0.313 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000267223082 352752777 /nfs/dbraw/zinc/75/27/77/352752777.db2.gz UQKLSTSWXWYLKF-UHFFFAOYSA-N 0 1 289.295 0.923 20 5 CCBDMN NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270797972 352987335 /nfs/dbraw/zinc/98/73/35/352987335.db2.gz NCVCBBCWXHFMDL-RNFRBKRXSA-N 0 1 281.272 0.092 20 5 CCBDMN O=C(N[C@H]1CCCC[C@H]1O)c1n[nH]cc1[N+](=O)[O-] ZINC000270842966 352993753 /nfs/dbraw/zinc/99/37/53/352993753.db2.gz IIBJZRCYXKVQTE-POYBYMJQSA-N 0 1 254.246 0.351 20 5 CCBDMN CC(C)(CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000275007666 353178952 /nfs/dbraw/zinc/17/89/52/353178952.db2.gz DORLTZKUOATLSO-UHFFFAOYSA-N 0 1 254.242 0.801 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000277886619 353271718 /nfs/dbraw/zinc/27/17/18/353271718.db2.gz FLSZFEIDYLDWOI-ZCFIWIBFSA-N 0 1 254.246 0.487 20 5 CCBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)NCCF ZINC000282734946 353448241 /nfs/dbraw/zinc/44/82/41/353448241.db2.gz IHALYNRGVDHHFR-SSDOTTSWSA-N 0 1 299.258 0.504 20 5 CCBDMN CCC[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1nn[nH]n1 ZINC000287364919 353641080 /nfs/dbraw/zinc/64/10/80/353641080.db2.gz HMEIUHGDHOLRRY-YFKPBYRVSA-N 0 1 280.248 0.102 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](O)[C@@H]2C)c1[N+](=O)[O-] ZINC000296072994 353930333 /nfs/dbraw/zinc/93/03/33/353930333.db2.gz OEAIHOUFBUOZOV-CBAPKCEASA-N 0 1 282.300 0.866 20 5 CCBDMN Cc1nn(C)c(NC[C@@H](C)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000301219761 354072916 /nfs/dbraw/zinc/07/29/16/354072916.db2.gz AFCAVHIBGLWGQA-SNVBAGLBSA-N 0 1 296.375 0.685 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000332665134 354715507 /nfs/dbraw/zinc/71/55/07/354715507.db2.gz GVLYHFYWOOLOGB-UHFFFAOYSA-N 0 1 281.272 0.142 20 5 CCBDMN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1COC[C@@H]1O ZINC000352817171 356088389 /nfs/dbraw/zinc/08/83/89/356088389.db2.gz QBLLILKGXVSTTQ-OLZOCXBDSA-N 0 1 282.296 0.665 20 5 CCBDMN CN(CCc1ccccc1[N+](=O)[O-])[C@H]1COC[C@H]1O ZINC000361378104 138033265 /nfs/dbraw/zinc/03/32/65/138033265.db2.gz QIOJULHMKFGUSL-QWHCGFSZSA-N 0 1 266.297 0.829 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCC(F)(F)[C@H](CO)C2)n1 ZINC000361414319 138035520 /nfs/dbraw/zinc/03/55/20/138035520.db2.gz IQDOVUTXTYMQLD-VIFPVBQESA-N 0 1 290.270 0.741 20 5 CCBDMN C[C@H](CNc1ncc([N+](=O)[O-])cn1)N1CCN(C)CC1 ZINC000273570075 192208649 /nfs/dbraw/zinc/20/86/49/192208649.db2.gz DEGBPUVFRKSMBZ-SNVBAGLBSA-N 0 1 280.332 0.433 20 5 CCBDMN Cc1cc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000609594698 363507894 /nfs/dbraw/zinc/50/78/94/363507894.db2.gz DJZXUMMTHHUEFA-UHFFFAOYSA-N 0 1 264.245 0.139 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CCc2[nH]nnc2C1 ZINC000532399960 358509929 /nfs/dbraw/zinc/50/99/29/358509929.db2.gz YRJSJTXNOHMONF-UHFFFAOYSA-N 0 1 274.240 0.306 20 5 CCBDMN C[C@@H]1CCC[C@]1(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000294396668 199024976 /nfs/dbraw/zinc/02/49/76/199024976.db2.gz SUPXCCQZICKKCR-HQJQHLMTSA-N 0 1 268.273 0.599 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408190207 357960365 /nfs/dbraw/zinc/96/03/65/357960365.db2.gz UKUNYMHVXFZWLT-QXFUBDJGSA-N 0 1 294.311 0.723 20 5 CCBDMN C[N@@H+]1C[C@H]2CN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000569976976 358810456 /nfs/dbraw/zinc/81/04/56/358810456.db2.gz CVBDCRQPYCFQQM-DTORHVGOSA-N 0 1 292.295 0.686 20 5 CCBDMN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 ZINC000590044250 359418495 /nfs/dbraw/zinc/41/84/95/359418495.db2.gz JFQYYMIETYYUCM-BDAKNGLRSA-N 0 1 265.269 0.964 20 5 CCBDMN C[C@@H]1C(=O)N(C)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000592190722 359780973 /nfs/dbraw/zinc/78/09/73/359780973.db2.gz PSWYELNFMBNRQJ-MRVPVSSYSA-N 0 1 265.269 0.920 20 5 CCBDMN O=C(NCC[NH2+]C1CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592295340 359813670 /nfs/dbraw/zinc/81/36/70/359813670.db2.gz NZDJDHMELLDAKD-UHFFFAOYSA-N 0 1 266.257 0.177 20 5 CCBDMN O=[N+]([O-])c1cnn(Cc2nc([C@H]3CCCN3)no2)c1 ZINC000592357362 359824162 /nfs/dbraw/zinc/82/41/62/359824162.db2.gz YKIZMQKIZRRTRA-MRVPVSSYSA-N 0 1 264.245 0.647 20 5 CCBDMN CCCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCN(C)C1 ZINC000592828045 359946784 /nfs/dbraw/zinc/94/67/84/359946784.db2.gz AIQGQUZDEFDNDA-VIFPVBQESA-N 0 1 281.316 0.874 20 5 CCBDMN COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593065794 360026702 /nfs/dbraw/zinc/02/67/02/360026702.db2.gz CZRPADWLGLEADD-ZYHUDNBSSA-N 0 1 282.296 0.882 20 5 CCBDMN COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593065794 360026704 /nfs/dbraw/zinc/02/67/04/360026704.db2.gz CZRPADWLGLEADD-ZYHUDNBSSA-N 0 1 282.296 0.882 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593873230 360186054 /nfs/dbraw/zinc/18/60/54/360186054.db2.gz VREKBEPBDNXZCO-HAZOTFIESA-N 0 1 296.304 0.646 20 5 CCBDMN C[C@@H](O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594762333 360378120 /nfs/dbraw/zinc/37/81/20/360378120.db2.gz PMJULMOTTTWTGB-SSDOTTSWSA-N 0 1 275.286 0.039 20 5 CCBDMN C[C@@H](O)C[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594773980 360380668 /nfs/dbraw/zinc/38/06/68/360380668.db2.gz URQONQSDMGCKMZ-JGVFFNPUSA-N 0 1 289.313 0.428 20 5 CCBDMN CC[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])OC ZINC000594775792 360380720 /nfs/dbraw/zinc/38/07/20/360380720.db2.gz HVLTYTNADRISFY-QMMMGPOBSA-N 0 1 289.313 0.693 20 5 CCBDMN Cc1nn(C)cc1[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179174109 189175252 /nfs/dbraw/zinc/17/52/52/189175252.db2.gz YBUNAJPTTVESSY-LURJTMIESA-N 0 1 278.272 0.851 20 5 CCBDMN COCc1nc(CNc2c(Cl)cncc2[N+](=O)[O-])n[nH]1 ZINC000596436492 360895274 /nfs/dbraw/zinc/89/52/74/360895274.db2.gz OFEWKEOOQYTMJK-UHFFFAOYSA-N 0 1 298.690 0.942 20 5 CCBDMN COCc1nnc(CNc2c(Cl)cncc2[N+](=O)[O-])[nH]1 ZINC000596436492 360895277 /nfs/dbraw/zinc/89/52/77/360895277.db2.gz OFEWKEOOQYTMJK-UHFFFAOYSA-N 0 1 298.690 0.942 20 5 CCBDMN CO[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000597540667 361131940 /nfs/dbraw/zinc/13/19/40/361131940.db2.gz MXNIQZDLXWNOJO-LLVKDONJSA-N 0 1 282.252 0.745 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC23COC3)c1[N+](=O)[O-] ZINC000597730869 361215035 /nfs/dbraw/zinc/21/50/35/361215035.db2.gz LBPJICXKQQXWCA-UHFFFAOYSA-N 0 1 266.257 0.495 20 5 CCBDMN CO[C@@]1(CO)CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000597996759 361305028 /nfs/dbraw/zinc/30/50/28/361305028.db2.gz HVZVANCZSSDJER-LBPRGKRZSA-N 0 1 298.299 0.240 20 5 CCBDMN Cn1ncc(C2CC2)c1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598211485 361355877 /nfs/dbraw/zinc/35/58/77/361355877.db2.gz RNXWPEWKXRFHLZ-UHFFFAOYSA-N 0 1 290.283 0.859 20 5 CCBDMN CCc1[nH]nc(C(=O)N2Cc3cnn(C)c3C2)c1[N+](=O)[O-] ZINC000598935446 361533851 /nfs/dbraw/zinc/53/38/51/361533851.db2.gz HKEDBJIVPCUGCG-UHFFFAOYSA-N 0 1 290.283 0.770 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@]23C[C@H]2CCC3)n1 ZINC000599339034 361658790 /nfs/dbraw/zinc/65/87/90/361658790.db2.gz ZNZYNADOQIHOOZ-GMSGAONNSA-N 0 1 286.313 0.549 20 5 CCBDMN CO[C@H]1CCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000342548266 216393666 /nfs/dbraw/zinc/39/36/66/216393666.db2.gz SKNABWBNUVMMKC-APPZFPTMSA-N 0 1 268.273 0.863 20 5 CCBDMN C[C@H](C(=O)NCc1nn[nH]n1)c1ccc([N+](=O)[O-])cc1F ZINC000612544507 363955595 /nfs/dbraw/zinc/95/55/95/363955595.db2.gz REIGGSSUMBPVPR-LURJTMIESA-N 0 1 294.246 0.667 20 5 CCBDMN C[C@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000445007803 249027295 /nfs/dbraw/zinc/02/72/95/249027295.db2.gz ZXOKTUIJVAHQGY-WPRPVWTQSA-N 0 1 294.311 0.908 20 5 CCBDMN C[C@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000445007803 249027297 /nfs/dbraw/zinc/02/72/97/249027297.db2.gz ZXOKTUIJVAHQGY-WPRPVWTQSA-N 0 1 294.311 0.908 20 5 CCBDMN O=[N+]([O-])c1ccc(CN2CCC[C@](O)(CO)C2)cc1 ZINC000313645014 249000210 /nfs/dbraw/zinc/00/02/10/249000210.db2.gz URANDLUVSMWXBH-CYBMUJFWSA-N 0 1 266.297 0.914 20 5 CCBDMN CN1CC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000507309432 249089571 /nfs/dbraw/zinc/08/95/71/249089571.db2.gz BULIXGKHCLKORL-NSHDSACASA-N 0 1 299.352 0.718 20 5 CCBDMN O=C1OC[C@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CCN12 ZINC000495596009 284959618 /nfs/dbraw/zinc/95/96/18/284959618.db2.gz QGDIBUIOUATHLN-SNVBAGLBSA-N 0 1 293.279 0.937 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCc2nn[nH]c2C1 ZINC000339119021 285137489 /nfs/dbraw/zinc/13/74/89/285137489.db2.gz PCDCULQDYPOVGP-UHFFFAOYSA-N 0 1 275.268 0.977 20 5 CCBDMN CC(C)(C)C[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000092521408 389028533 /nfs/dbraw/zinc/02/85/33/389028533.db2.gz DHLSBRJDPVDYMY-SSDOTTSWSA-N 0 1 270.289 0.845 20 5 CCBDMN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000302415921 389070238 /nfs/dbraw/zinc/07/02/38/389070238.db2.gz HUNGQRFQHMDMJW-GHMZBOCLSA-N 0 1 280.328 0.881 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000299443485 389040883 /nfs/dbraw/zinc/04/08/83/389040883.db2.gz LTPRYGQVNRCRQW-RQJHMYQMSA-N 0 1 268.273 0.876 20 5 CCBDMN C[C@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000355111991 389042834 /nfs/dbraw/zinc/04/28/34/389042834.db2.gz MKJYOKMZRKDOSF-BQBZGAKWSA-N 0 1 254.246 0.615 20 5 CCBDMN COC1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000332048128 389326171 /nfs/dbraw/zinc/32/61/71/389326171.db2.gz ZGPUQEYPMGVWDP-UHFFFAOYSA-N 0 1 252.226 0.771 20 5 CCBDMN C[C@@H](O)[C@@H](CO)N=c1ccc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000413458380 389513820 /nfs/dbraw/zinc/51/38/20/389513820.db2.gz WGFFIEULPZUVQD-PRHODGIISA-N 0 1 277.280 0.719 20 5 CCBDMN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1nnc[nH]1 ZINC000174557629 389524782 /nfs/dbraw/zinc/52/47/82/389524782.db2.gz RCWXIWDPXGLJGH-RXMQYKEDSA-N 0 1 294.246 0.925 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000350181289 389495527 /nfs/dbraw/zinc/49/55/27/389495527.db2.gz NFLBJDGMFJVYSS-UHFFFAOYSA-N 0 1 264.245 0.290 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)C[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000428613179 389709813 /nfs/dbraw/zinc/70/98/13/389709813.db2.gz AHLFBYVCCSMEHN-POYBYMJQSA-N 0 1 295.299 0.352 20 5 CCBDMN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1O ZINC000351943689 389721189 /nfs/dbraw/zinc/72/11/89/389721189.db2.gz HORKAXDSUIZDSN-UFBFGSQYSA-N 0 1 279.296 0.506 20 5 CCBDMN CCn1cc(S(=O)(=O)NC(C)(C)CF)c([N+](=O)[O-])n1 ZINC000351739363 389670572 /nfs/dbraw/zinc/67/05/72/389670572.db2.gz MAOGAMKGIIOUIH-UHFFFAOYSA-N 0 1 294.308 0.838 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[S@@](=O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000352306744 389787277 /nfs/dbraw/zinc/78/72/77/389787277.db2.gz PCZFLDXCKPBTLY-INMOSUBGSA-N 0 1 286.313 0.219 20 5 CCBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ncc[nH]1 ZINC000442796459 389863048 /nfs/dbraw/zinc/86/30/48/389863048.db2.gz SWRGUSWBAXAIJO-LURJTMIESA-N 0 1 264.245 0.922 20 5 CCBDMN CC[C@H](NC(=O)c1[n-]ncc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000442796459 389863049 /nfs/dbraw/zinc/86/30/49/389863049.db2.gz SWRGUSWBAXAIJO-LURJTMIESA-N 0 1 264.245 0.922 20 5 CCBDMN C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)[C@H](C)CN1CCO ZINC000419008319 389886202 /nfs/dbraw/zinc/88/62/02/389886202.db2.gz UAWLNACMYPHFPG-NXEZZACHSA-N 0 1 283.332 0.220 20 5 CCBDMN COCC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000432751158 389887629 /nfs/dbraw/zinc/88/76/29/389887629.db2.gz SHYALEOKSHGQGQ-NSHDSACASA-N 0 1 284.316 0.121 20 5 CCBDMN COCC1(C)CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000447878311 389967851 /nfs/dbraw/zinc/96/78/51/389967851.db2.gz IYUJFJGKIQGPKM-UHFFFAOYSA-N 0 1 268.273 0.735 20 5 CCBDMN C[C@@H]1[C@@H](C)N(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCN1C ZINC000445148184 389921841 /nfs/dbraw/zinc/92/18/41/389921841.db2.gz WOENDKBGXQQZLW-RKDXNWHRSA-N 0 1 294.311 0.860 20 5 CCBDMN CNC(=O)[C@]1(C)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000281751043 195365770 /nfs/dbraw/zinc/36/57/70/195365770.db2.gz JVHUVTVHAZIJMG-GFCCVEGCSA-N 0 1 295.299 0.225 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](O)C3(CC3)C2)c1[N+](=O)[O-] ZINC000547981878 390412091 /nfs/dbraw/zinc/41/20/91/390412091.db2.gz BJVOJBKGQOGOKZ-SSDOTTSWSA-N 0 1 266.257 0.223 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2CC[C@H](CO)[C@H](O)C2)c1 ZINC000521527816 390609456 /nfs/dbraw/zinc/60/94/56/390609456.db2.gz LJACLMMFACEOHY-BXUZGUMPSA-N 0 1 296.323 0.649 20 5 CCBDMN CO[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000451751794 533473306 /nfs/dbraw/zinc/47/33/06/533473306.db2.gz WBDHIXJDPRXVPN-CHWSQXEVSA-N 0 1 282.296 0.665 20 5 CCBDMN COc1ccc(CN[C@@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000264347536 131436258 /nfs/dbraw/zinc/43/62/58/131436258.db2.gz PBVQUNWQCWGVNQ-SNVBAGLBSA-N 0 1 279.296 0.924 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCCc2cn[nH]c21 ZINC000268939353 132091186 /nfs/dbraw/zinc/09/11/86/132091186.db2.gz GPXCJHQMJWODJW-JTQLQIEISA-N 0 1 290.283 0.708 20 5 CCBDMN C[C@@H](CC(N)=O)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356600042 144017864 /nfs/dbraw/zinc/01/78/64/144017864.db2.gz SAAIUQQJQRGURN-LURJTMIESA-N 0 1 267.241 0.294 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)NC1(c2nnc[nH]2)CCC1 ZINC000357030171 144052191 /nfs/dbraw/zinc/05/21/91/144052191.db2.gz SYQFDZTXBZRGCH-UHFFFAOYSA-N 0 1 291.271 0.105 20 5 CCBDMN C[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000358692878 144173129 /nfs/dbraw/zinc/17/31/29/144173129.db2.gz YQMVBKQEPQFZDQ-IUCAKERBSA-N 0 1 294.311 0.860 20 5 CCBDMN O=C(NC1CCN(c2cccnn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000368986626 144251759 /nfs/dbraw/zinc/25/17/59/144251759.db2.gz CHSLWNMTYBWIPQ-GHMZBOCLSA-N 0 1 291.311 0.227 20 5 CCBDMN O=C(N[C@@H]1CN(c2ccccc2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000371733026 144342376 /nfs/dbraw/zinc/34/23/76/144342376.db2.gz KHCYANBYKMMHRJ-GMTAPVOTSA-N 0 1 275.264 0.183 20 5 CCBDMN CN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1=O ZINC000549465637 286093995 /nfs/dbraw/zinc/09/39/95/286093995.db2.gz SOPHFLKJCGIBKT-UHFFFAOYSA-N 0 1 265.269 0.574 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000553022941 286178108 /nfs/dbraw/zinc/17/81/08/286178108.db2.gz HNLWCDHEXHUDGP-UHFFFAOYSA-N 0 1 276.256 0.364 20 5 CCBDMN Cc1nccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000038037847 174038577 /nfs/dbraw/zinc/03/85/77/174038577.db2.gz OEJKVPNAZMAEDW-LBPRGKRZSA-N 0 1 292.299 0.040 20 5 CCBDMN Nc1nc(N2CC[C@@H](N3CC=CC3)C2)ncc1[N+](=O)[O-] ZINC000266210440 274966188 /nfs/dbraw/zinc/96/61/88/274966188.db2.gz GCYZYHBXVRFHJY-SECBINFHSA-N 0 1 276.300 0.418 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CCNC(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000269505499 278000470 /nfs/dbraw/zinc/00/04/70/278000470.db2.gz ZTZGKEKMEZEBOC-SSDOTTSWSA-N 0 1 295.299 0.402 20 5 CCBDMN C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)CN1C ZINC000408068999 288256164 /nfs/dbraw/zinc/25/61/64/288256164.db2.gz ZSEHYTYQZZOYAQ-BDAKNGLRSA-N 0 1 253.306 0.857 20 5 CCBDMN O=C(NCC[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000574915492 327640346 /nfs/dbraw/zinc/64/03/46/327640346.db2.gz BONRZJPSMDWTNV-SECBINFHSA-N 0 1 294.311 0.815 20 5 CCBDMN Cn1cnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000576062285 335147923 /nfs/dbraw/zinc/14/79/23/335147923.db2.gz GKCMTJUSTNTUHM-UHFFFAOYSA-N 0 1 263.213 0.681 20 5 CCBDMN COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000576634760 335228327 /nfs/dbraw/zinc/22/83/27/335228327.db2.gz GCVMSWLBUWSIBF-ZETCQYMHSA-N 0 1 283.240 0.129 20 5 CCBDMN CC(C)c1n[nH]c(C(=O)NCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000582012230 336191633 /nfs/dbraw/zinc/19/16/33/336191633.db2.gz AXODYXURJPGMNJ-UHFFFAOYSA-N 0 1 293.287 0.532 20 5 CCBDMN C[C@H](CN(C)C(=O)c1ccc([N+](=O)[O-])n1C)c1nn[nH]n1 ZINC000358386991 534015979 /nfs/dbraw/zinc/01/59/79/534015979.db2.gz YDGKZAOJDHLBQL-SSDOTTSWSA-N 0 1 293.287 0.322 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(O)(C3CC3)C2)c1[N+](=O)[O-] ZINC000365146427 523665479 /nfs/dbraw/zinc/66/54/79/523665479.db2.gz BCXQGJHIDGJZAC-UHFFFAOYSA-N 0 1 280.284 0.477 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCNC(=O)C[C@H]2C)c1[N+](=O)[O-] ZINC000369805307 523667118 /nfs/dbraw/zinc/66/71/18/523667118.db2.gz LRURKFTWFVQDTK-SSDOTTSWSA-N 0 1 295.299 0.231 20 5 CCBDMN CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CCCN(C)C1 ZINC000357043869 523923386 /nfs/dbraw/zinc/92/33/86/523923386.db2.gz ULCJFTJRJBZZCC-VIFPVBQESA-N 0 1 281.316 0.495 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000357624122 535970180 /nfs/dbraw/zinc/97/01/80/535970180.db2.gz IBSAHULWDFFWHS-GHMZBOCLSA-N 0 1 295.343 0.639 20 5 CCBDMN C[C@@H]1CN(C[C@H]2CCCN2CC[N+](=O)[O-])C[C@H](C)O1 ZINC000791053560 581206320 /nfs/dbraw/zinc/20/63/20/581206320.db2.gz UFRXVCQSVIAVKN-FRRDWIJNSA-N 0 1 271.361 0.837 20 5 CCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1nnc[nH]1 ZINC000791393926 581219744 /nfs/dbraw/zinc/21/97/44/581219744.db2.gz URIKXNSSVJSAIB-YFKPBYRVSA-N 0 1 294.246 0.925 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nnnn1C1CC1 ZINC000791932353 581241011 /nfs/dbraw/zinc/24/10/11/581241011.db2.gz HELZSQWALVLNIL-YFKPBYRVSA-N 0 1 292.259 0.130 20 5 CCBDMN C[C@H]1CN(C)C(=O)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000783728415 581357384 /nfs/dbraw/zinc/35/73/84/581357384.db2.gz HPNOQWCKDWDRMK-VIFPVBQESA-N 0 1 279.296 0.963 20 5 CCBDMN Cc1nc(COC(=O)c2cc([N+](=O)[O-])cnc2N)n[nH]1 ZINC000795505352 581409725 /nfs/dbraw/zinc/40/97/25/581409725.db2.gz FPZJVFAZZYDAKI-UHFFFAOYSA-N 0 1 278.228 0.356 20 5 CCBDMN Cc1cc(F)cc(C(=O)NCc2nn[nH]n2)c1[N+](=O)[O-] ZINC000758485966 581749489 /nfs/dbraw/zinc/74/94/89/581749489.db2.gz QTSKPUJOILBJEB-UHFFFAOYSA-N 0 1 280.219 0.485 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H](O)C[C@H]2CO)cc1 ZINC000764982782 582080073 /nfs/dbraw/zinc/08/00/73/582080073.db2.gz XVTSNTJYCCJQML-RWMBFGLXSA-N 0 1 282.296 0.056 20 5 CCBDMN C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1NC(=O)[O-] ZINC000826059086 603996483 /nfs/dbraw/zinc/99/64/83/603996483.db2.gz RRRBTJJZQSXPCR-GXSJLCMTSA-N 0 1 297.315 0.769 20 5 CCBDMN O=C([O-])N[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834190105 605819121 /nfs/dbraw/zinc/81/91/21/605819121.db2.gz RKZYWDBDUVINPF-PWSUYJOCSA-N 0 1 295.295 0.970 20 5 CCBDMN O=C([O-])N[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834190105 605819122 /nfs/dbraw/zinc/81/91/22/605819122.db2.gz RKZYWDBDUVINPF-PWSUYJOCSA-N 0 1 295.295 0.970 20 5 CCBDMN CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000967349205 613664144 /nfs/dbraw/zinc/66/41/44/613664144.db2.gz NFSAQLWFQNOILY-YVECIDJPSA-N 0 1 295.339 0.369 20 5 CCBDMN CC(C)OC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000839782173 613995979 /nfs/dbraw/zinc/99/59/79/613995979.db2.gz FFUXWIMTOKUWEP-BBBLOLIVSA-N 0 1 272.301 0.744 20 5 CCBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@]1(O)CCCOC1 ZINC000856141463 614105924 /nfs/dbraw/zinc/10/59/24/614105924.db2.gz APGMPFKFZUCHRP-GIPNMCIBSA-N 0 1 286.328 0.336 20 5 CCBDMN CC(C)(COC(=O)[C@@H]1CC1[N+](=O)[O-])n1cccn1 ZINC000851309414 614126487 /nfs/dbraw/zinc/12/64/87/614126487.db2.gz FXUFNQNRFAJKOR-RKDXNWHRSA-N 0 1 253.258 0.827 20 5 CCBDMN CC(C)(C[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C(N)=O ZINC000839781249 614127637 /nfs/dbraw/zinc/12/76/37/614127637.db2.gz LDICKLNPFVYFPH-GMTAPVOTSA-N 0 1 297.355 0.792 20 5 CCBDMN CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840418677 614239865 /nfs/dbraw/zinc/23/98/65/614239865.db2.gz IGCBHSFQFOIDSL-FRRDWIJNSA-N 0 1 276.292 0.968 20 5 CCBDMN CC(C)[N@H+](CCC(=O)[O-])CCn1cc([N+](=O)[O-])ccc1=O ZINC000833496577 614291754 /nfs/dbraw/zinc/29/17/54/614291754.db2.gz CMIMGRUMGOQUDA-UHFFFAOYSA-N 0 1 297.311 0.942 20 5 CCBDMN CCC(CC)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000839708497 614524414 /nfs/dbraw/zinc/52/44/14/614524414.db2.gz FQHXRNUMHVUEPH-RKDXNWHRSA-N 0 1 272.301 0.747 20 5 CCBDMN CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CCN(C)C1 ZINC000855359919 614718476 /nfs/dbraw/zinc/71/84/76/614718476.db2.gz FNGOOWOSHZTJRU-SECBINFHSA-N 0 1 293.327 0.738 20 5 CCBDMN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840420420 615268955 /nfs/dbraw/zinc/26/89/55/615268955.db2.gz FPPUXABHCFANKO-RBXMUDONSA-N 0 1 258.274 0.356 20 5 CCBDMN CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840300268 615369906 /nfs/dbraw/zinc/36/99/06/615369906.db2.gz JFODTUJWZNWLFT-OPRDCNLKSA-N 0 1 270.285 0.596 20 5 CCBDMN CC[C@H](C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000839503283 615685102 /nfs/dbraw/zinc/68/51/02/615685102.db2.gz HYLZCHFEKHUEKA-JQCXWYLXSA-N 0 1 258.274 0.356 20 5 CCBDMN CN(C)C(=O)[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886247649 616000069 /nfs/dbraw/zinc/00/00/69/616000069.db2.gz XBFLOXVRVMSNLK-LLVKDONJSA-N 0 1 278.312 0.900 20 5 CCBDMN CN1CCC[C@@H]1Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC000917872498 616196417 /nfs/dbraw/zinc/19/64/17/616196417.db2.gz FXZNRFQZCILWNX-MRVPVSSYSA-N 0 1 255.249 0.990 20 5 CCBDMN CN1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000928564534 616287680 /nfs/dbraw/zinc/28/76/80/616287680.db2.gz XUWXKKUBXFJVOX-SECBINFHSA-N 0 1 297.286 0.933 20 5 CCBDMN CN1CC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000928564587 616289161 /nfs/dbraw/zinc/28/91/61/616289161.db2.gz VNDUMWPXMBHGLT-GFCCVEGCSA-N 0 1 263.297 0.958 20 5 CCBDMN CN1CC[C@](C)(COC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000870518367 616452857 /nfs/dbraw/zinc/45/28/57/616452857.db2.gz DTQRFBSMDKLGBS-SOCHQFKDSA-N 0 1 256.258 0.063 20 5 CCBDMN COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])[C@@H]2C1 ZINC000888473484 616464069 /nfs/dbraw/zinc/46/40/69/616464069.db2.gz UOFLIYAPYYGPEC-FKUYFSDWSA-N 0 1 282.296 0.356 20 5 CCBDMN CO[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1(C)C ZINC000839782532 616649046 /nfs/dbraw/zinc/64/90/46/616649046.db2.gz JEDSSCGYDZBGMS-OPRDCNLKSA-N 0 1 256.302 0.925 20 5 CCBDMN COC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000840417322 616915240 /nfs/dbraw/zinc/91/52/40/616915240.db2.gz QEPLLUZRLNCBCI-VXNVDRBHSA-N 0 1 265.225 0.472 20 5 CCBDMN CON1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000854856653 617090521 /nfs/dbraw/zinc/09/05/21/617090521.db2.gz BJZNKXHBOXDDAF-UHFFFAOYSA-N 0 1 281.268 0.620 20 5 CCBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC=CC1 ZINC000973114061 623647082 /nfs/dbraw/zinc/64/70/82/623647082.db2.gz NQXHJJOFLHJNEZ-DDHJBXDOSA-N 0 1 293.323 0.381 20 5 CCBDMN Cc1conc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063451 624870049 /nfs/dbraw/zinc/87/00/49/624870049.db2.gz BOFNJVLEYSEPSD-DTHBNOIPSA-N 0 1 294.311 0.385 20 5 CCBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000840673127 631711585 /nfs/dbraw/zinc/71/15/85/631711585.db2.gz HUKDRDKHYOTKQI-MVWJERBFSA-N 0 1 292.291 0.900 20 5 CCBDMN CC1(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCC1 ZINC000991286516 635851550 /nfs/dbraw/zinc/85/15/50/635851550.db2.gz BKUPSBNIAIAREU-NXEZZACHSA-N 0 1 281.312 0.169 20 5 CCBDMN O=C(N[C@H]1c2ccccc2C[C@@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000839535683 640342580 /nfs/dbraw/zinc/34/25/80/640342580.db2.gz ZIRFUKKVTAYBCV-WYUUTHIRSA-N 0 1 262.265 0.426 20 5 CCBDMN O=C(NCCN1C(=O)Cc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839622267 640346846 /nfs/dbraw/zinc/34/68/46/640346846.db2.gz BLVBOAWONYJLET-ZYHUDNBSSA-N 0 1 289.291 0.357 20 5 CCBDMN Cc1cc([C@](C)(O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)o1 ZINC000839688542 640349456 /nfs/dbraw/zinc/34/94/56/640349456.db2.gz DTOIYEKACXCAFZ-IRUJWGPZSA-N 0 1 282.296 0.885 20 5 CCBDMN C[S@@](=O)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839694145 640351466 /nfs/dbraw/zinc/35/14/66/640351466.db2.gz TZNOWPXPPSZQFY-GEGUAOFFSA-N 0 1 296.348 0.888 20 5 CCBDMN O=C(NC[C@H](O)c1ccccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000839697578 640351523 /nfs/dbraw/zinc/35/15/23/640351523.db2.gz YFDDVNCWDNAZGO-IEBDPFPHSA-N 0 1 268.244 0.641 20 5 CCBDMN O=C(NC[C@H]1COC2(CCCCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000839717226 640356485 /nfs/dbraw/zinc/35/64/85/640356485.db2.gz CZXLAEKFTFTXHC-HBNTYKKESA-N 0 1 284.312 0.844 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000839708125 640356721 /nfs/dbraw/zinc/35/67/21/640356721.db2.gz DZQAXZRPXCPZGS-NNYUYHANSA-N 0 1 268.313 0.927 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](C(F)F)C1 ZINC000839759514 640363489 /nfs/dbraw/zinc/36/34/89/640363489.db2.gz NZPKNEFIILNPRB-FSDSQADBSA-N 0 1 250.201 0.144 20 5 CCBDMN CS(=O)(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839782003 640364425 /nfs/dbraw/zinc/36/44/25/640364425.db2.gz DCOVAVCQYHSMMM-OPRDCNLKSA-N 0 1 290.341 0.077 20 5 CCBDMN O=C(NC[C@H](O)Cc1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839779649 640364708 /nfs/dbraw/zinc/36/47/08/640364708.db2.gz KLNXSODRJCCJEI-IJLUTSLNSA-N 0 1 282.271 0.511 20 5 CCBDMN CO[C@@](C)([C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839832302 640463627 /nfs/dbraw/zinc/46/36/27/640463627.db2.gz XZDHCKWCGMWZDF-UYAIAHHASA-N 0 1 256.302 0.971 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@H]1CCO ZINC000809764760 640905980 /nfs/dbraw/zinc/90/59/80/640905980.db2.gz HWFKZEFSMCGGKE-LLVKDONJSA-N 0 1 282.296 0.884 20 5 CCBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC[NH2+]C1CC1 ZINC000823624555 641778245 /nfs/dbraw/zinc/77/82/45/641778245.db2.gz CKTJYNFMCDOEDT-UHFFFAOYSA-N 0 1 290.287 0.334 20 5 CCBDMN O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC[NH2+]C1CC1 ZINC000823624555 641778248 /nfs/dbraw/zinc/77/82/48/641778248.db2.gz CKTJYNFMCDOEDT-UHFFFAOYSA-N 0 1 290.287 0.334 20 5 CCBDMN Cn1cc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c2cccnc21 ZINC000826839670 641962645 /nfs/dbraw/zinc/96/26/45/641962645.db2.gz PZEOSLBTWJLKFB-VXGBXAGGSA-N 0 1 288.307 0.897 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842512873 642905979 /nfs/dbraw/zinc/90/59/79/642905979.db2.gz IRIQJPDXVILVRP-ZDUSSCGKSA-N 0 1 292.295 0.664 20 5 CCBDMN O=C(O[C@H]1CC(=O)NC12CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000842903153 642970883 /nfs/dbraw/zinc/97/08/83/642970883.db2.gz YNLXUVLMKJSRQO-HLTSFMKQSA-N 0 1 268.269 0.396 20 5 CCBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000844434492 643216647 /nfs/dbraw/zinc/21/66/47/643216647.db2.gz UNZYBGUKPSNDLY-DHSUFXDVSA-N 0 1 296.348 0.833 20 5 CCBDMN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000105855504 643304399 /nfs/dbraw/zinc/30/43/99/643304399.db2.gz LPFBAUITESJXHN-CABZTGNLSA-N 0 1 281.312 0.695 20 5 CCBDMN Cn1ncc2c1CC(C)(C)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000852977272 644066250 /nfs/dbraw/zinc/06/62/50/644066250.db2.gz VKHFAGFZYJZQAU-GHMZBOCLSA-N 0 1 292.339 0.996 20 5 CCBDMN Cn1ncc(C2CCC2)c1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855968501 644378378 /nfs/dbraw/zinc/37/83/78/644378378.db2.gz XHCWCLRBHHYTMP-MWLCHTKSSA-N 0 1 278.312 0.969 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOc2ccc(O)cc2C1 ZINC000856205618 644399978 /nfs/dbraw/zinc/39/99/78/644399978.db2.gz BXBJIXPICUWUKJ-GHMZBOCLSA-N 0 1 278.264 0.778 20 5 CCBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1COC(=O)N1 ZINC000859912927 644743410 /nfs/dbraw/zinc/74/34/10/644743410.db2.gz IHFWQRJXSDFSHP-QMMMGPOBSA-N 0 1 282.208 0.452 20 5 CCBDMN Cn1c(=O)oc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc21 ZINC000863140550 645064565 /nfs/dbraw/zinc/06/45/65/645064565.db2.gz LZTSWJHTYLSRPG-RKDXNWHRSA-N 0 1 291.263 0.413 20 5 CCBDMN O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000871308821 646127588 /nfs/dbraw/zinc/12/75/88/646127588.db2.gz ALLLONMWRRFRHV-DDHJBXDOSA-N 0 1 268.313 0.973 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1COCCN1 ZINC000877037873 646718473 /nfs/dbraw/zinc/71/84/73/646718473.db2.gz DELHSJXJMLFWHU-LLVKDONJSA-N 0 1 293.323 0.930 20 5 CCBDMN Cn1cc(CN2CCC3(CC2)COCCO3)c([N+](=O)[O-])n1 ZINC000880549086 647228553 /nfs/dbraw/zinc/22/85/53/647228553.db2.gz MTSAFLBOERPNBM-UHFFFAOYSA-N 0 1 296.327 0.710 20 5 CCBDMN O=C1NCCN1CCNCc1ccc([N+](=O)[O-])cc1F ZINC000886323934 647965278 /nfs/dbraw/zinc/96/52/78/647965278.db2.gz RAJILJXZLUEATQ-UHFFFAOYSA-N 0 1 282.275 0.849 20 5 CCBDMN Cn1cc([C@@]2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCO2)cn1 ZINC000890145566 648285807 /nfs/dbraw/zinc/28/58/07/648285807.db2.gz OLNXOKWVJXIZJV-WZRBSPASSA-N 0 1 294.311 0.207 20 5 CCBDMN CS(=O)(=O)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000106081877 648305225 /nfs/dbraw/zinc/30/52/25/648305225.db2.gz VTRUQWIHZKYXER-NSHDSACASA-N 0 1 288.325 0.262 20 5 CCBDMN O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000931612914 649009582 /nfs/dbraw/zinc/00/95/82/649009582.db2.gz RNGGMLHITRULCQ-AGIUHOORSA-N 0 1 299.371 0.395 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC2(CN(C)C2)C1 ZINC000935665726 649251345 /nfs/dbraw/zinc/25/13/45/649251345.db2.gz FXABKPJOYKNJIQ-UHFFFAOYSA-N 0 1 293.327 0.264 20 5 CCBDMN CN1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC001164669967 719386228 /nfs/dbraw/zinc/38/62/28/719386228.db2.gz VWVLTNPXCZKZKP-QWRGUYRKSA-N 0 1 282.275 0.648 20 5 CCBDMN O=C(NCCCOC[C@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839472382 800026065 /nfs/dbraw/zinc/02/60/65/800026065.db2.gz UNIBAOOMJHBVMC-GMTAPVOTSA-N 0 1 272.301 0.354 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2cc([N+](=O)[O-])ccn2)S1 ZINC001155837095 801062455 /nfs/dbraw/zinc/06/24/55/801062455.db2.gz JJKAHEMWSGBEJM-SSDOTTSWSA-N 0 1 254.227 0.711 20 5 CCBDMN Cc1nc(NCCNC(=O)C(F)(F)F)ncc1[N+](=O)[O-] ZINC001156204389 801129356 /nfs/dbraw/zinc/12/93/56/801129356.db2.gz DKXSMVGCIDOGJK-UHFFFAOYSA-N 0 1 293.205 0.784 20 5 CCBDMN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NC[C@H]1COCCN1 ZINC001159043450 801748544 /nfs/dbraw/zinc/74/85/44/801748544.db2.gz CTFYOUZFYXCJNQ-ZETCQYMHSA-N 0 1 288.691 0.282 20 5 CCBDMN O=C(NCc1cc(=O)cc[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001161043973 802076090 /nfs/dbraw/zinc/07/60/90/802076090.db2.gz DGBGTYMCMODQAL-UHFFFAOYSA-N 0 1 289.247 0.919 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(N2CC[C@H](N3CC=CC3)C2)n1 ZINC001162631488 802380317 /nfs/dbraw/zinc/38/03/17/802380317.db2.gz JVRPZAGWRHJNPF-JTQLQIEISA-N 0 1 263.301 0.779 20 5 CCBDMN CCOc1nc(-n2c(C)nnc2CN)ccc1[N+](=O)[O-] ZINC001163348705 802542079 /nfs/dbraw/zinc/54/20/79/802542079.db2.gz OLGHDYZAKSNCQW-UHFFFAOYSA-N 0 1 278.272 0.736 20 5 CCBDMN COCc1nn(-c2cc([N+](=O)[O-])ccn2)c2c1CNC2 ZINC001165632138 802857969 /nfs/dbraw/zinc/85/79/69/802857969.db2.gz NUMGWIOEIJJIOZ-UHFFFAOYSA-N 0 1 275.268 0.925 20 5 CCBDMN O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1COCCN1 ZINC000401263265 803784123 /nfs/dbraw/zinc/78/41/23/803784123.db2.gz KRURJQDWAQYTEQ-MRVPVSSYSA-N 0 1 256.237 0.529 20 5 CCBDMN COC(=O)[C@H](CCO)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001218220908 803942042 /nfs/dbraw/zinc/94/20/42/803942042.db2.gz SNDGFFJUKQXWJH-JTQLQIEISA-N 0 1 295.251 0.774 20 5 CCBDMN CC[N@H+]1CCC[C@@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])C1 ZINC001226335766 805221336 /nfs/dbraw/zinc/22/13/36/805221336.db2.gz LRHSMAZHCFABOX-MRVPVSSYSA-N 0 1 268.273 0.954 20 5 CCBDMN C[C@H](C[N+](C)(C)C)Oc1cc(=O)[n-]c(N2CCOCC2)n1 ZINC001226728866 805273501 /nfs/dbraw/zinc/27/35/01/805273501.db2.gz VSZQITWVFILHKU-LLVKDONJSA-O 0 1 297.379 0.492 20 5 CCBDMN CC[NH+]1CCC(Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228143609 805417710 /nfs/dbraw/zinc/41/77/10/805417710.db2.gz NVHUINGASOUBGE-UHFFFAOYSA-N 0 1 268.273 0.954 20 5 CCBDMN O=c1nc2cc([N+](=O)[O-])ccc2c(OC[C@H]2COCO2)[nH]1 ZINC001228243471 805424654 /nfs/dbraw/zinc/42/46/54/805424654.db2.gz YZNDSOQNPQEWGM-MRVPVSSYSA-N 0 1 293.235 0.995 20 5 CCBDMN Cc1nc(O[C@H]2COC[C@@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375849 805526346 /nfs/dbraw/zinc/52/63/46/805526346.db2.gz OGEPMEXUWOXUDK-FSPLSTOPSA-N 0 1 255.230 0.813 20 5 CCBDMN Cc1nn(CCC(=O)NCc2nnc[nH]2)c(C)c1[N+](=O)[O-] ZINC001254254690 808199306 /nfs/dbraw/zinc/19/93/06/808199306.db2.gz GYDXOKMYFQCNLZ-UHFFFAOYSA-N 0 1 293.287 0.233 20 5 CCBDMN CN(C/C=C/Cl)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001272013974 814717210 /nfs/dbraw/zinc/71/72/10/814717210.db2.gz TZSNPAZIHBZSBT-HIHHVFROSA-N 0 1 275.736 0.794 20 5 CCBDMN COC(=O)c1cnc(O[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001233858889 816425143 /nfs/dbraw/zinc/42/51/43/816425143.db2.gz GQKWVOPJSYDZHK-VIFPVBQESA-N 0 1 281.268 0.859 20 5 CCBDMN C/C=C(\C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079578291 820429405 /nfs/dbraw/zinc/42/94/05/820429405.db2.gz FJIRHJFPRFHUOE-DSEHVEKOSA-N 0 1 295.339 0.677 20 5 CCBDMN CCOC(=O)c1ccc(-n2nnnc2CN)c([N+](=O)[O-])c1 ZINC001168924585 836059893 /nfs/dbraw/zinc/05/98/93/836059893.db2.gz NNYMBJKOPRKVEB-UHFFFAOYSA-N 0 1 292.255 0.206 20 5 CCBDMN CN(C)C(=O)N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007697 836096753 /nfs/dbraw/zinc/09/67/53/836096753.db2.gz PKBNGFDWZWUAKD-RYUDHWBXSA-N 0 1 284.360 0.731 20 5 CCBDMN Cc1cnc(CN)n1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001169020797 836114798 /nfs/dbraw/zinc/11/47/98/836114798.db2.gz RJBJYNPQBOLCJV-UHFFFAOYSA-N 0 1 283.675 0.834 20 5 CCBDMN O=C(C1CC1)N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169023825 836115790 /nfs/dbraw/zinc/11/57/90/836115790.db2.gz FOUMAVBLYRNLRK-AAEUAGOBSA-N 0 1 281.356 0.986 20 5 CCBDMN CNC(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046778 836117262 /nfs/dbraw/zinc/11/72/62/836117262.db2.gz MUIXCVQZXCOVAI-WDEREUQCSA-N 0 1 270.333 0.389 20 5 CCBDMN O=[N+]([O-])c1c2nsnc2ccc1NC[C@@H]1COCCN1 ZINC001170044929 836781419 /nfs/dbraw/zinc/78/14/19/836781419.db2.gz PKBNHIDAIXLMLX-SSDOTTSWSA-N 0 1 295.324 1.000 20 5 CCBDMN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncccc1[N+](=O)[O-] ZINC001170339978 837321624 /nfs/dbraw/zinc/32/16/24/837321624.db2.gz PSMQZKIUZVUQJL-UHFFFAOYSA-N 0 1 263.257 0.691 20 5 CCBDMN Cc1c(CC[NH3+])c(=O)[n-]n1-c1cc([N+](=O)[O-])c(C)c[n+]1[O-] ZINC001170340296 837322097 /nfs/dbraw/zinc/32/20/97/837322097.db2.gz MYABCIIORFNERC-UHFFFAOYSA-N 0 1 293.283 0.238 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CC[C@@](O)(C(F)F)C2)n1 ZINC001170423824 837374461 /nfs/dbraw/zinc/37/44/61/837374461.db2.gz IVHOKMLFZCTSQT-JTQLQIEISA-N 0 1 276.243 0.493 20 5 CCBDMN NCc1nnnn1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001158075423 837918963 /nfs/dbraw/zinc/91/89/63/837918963.db2.gz YWQXAWOYLIUGBS-UHFFFAOYSA-N 0 1 271.240 0.577 20 5 CCBDMN Cc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1C ZINC001135242474 839187261 /nfs/dbraw/zinc/18/72/61/839187261.db2.gz MRNIKLBZRJMPHM-UHFFFAOYSA-N 0 1 263.257 0.895 20 5 CCBDMN CN1CCN(CCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001136076428 839518594 /nfs/dbraw/zinc/51/85/94/839518594.db2.gz KMNUXDKPCOYLGE-UHFFFAOYSA-N 0 1 286.376 0.186 20 5 CCBDMN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CN2CCC1CC2 ZINC001146874013 840410526 /nfs/dbraw/zinc/41/05/26/840410526.db2.gz PCNNSYMMESFJHR-GFCCVEGCSA-N 0 1 279.300 0.532 20 5 CCBDMN COC(=O)[C@@H]1CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC001179037685 842963333 /nfs/dbraw/zinc/96/33/33/842963333.db2.gz YYEFHQZTBXRTBY-ZETCQYMHSA-N 0 1 296.283 0.829 20 5 CCBDMN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001180971911 843351600 /nfs/dbraw/zinc/35/16/00/843351600.db2.gz TWYCKJHPWHFFFH-UTINFBMNSA-N 0 1 299.327 0.824 20 5 CCBDMN COCC[N@H+](CCC(=O)[O-])CCn1cc([N+](=O)[O-])cn1 ZINC001327361493 914497674 /nfs/dbraw/zinc/49/76/74/914497674.db2.gz XZOOJQVWYDAISI-UHFFFAOYSA-N 0 1 286.288 0.214 20 5 CCBDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001327366709 914501490 /nfs/dbraw/zinc/50/14/90/914501490.db2.gz CSJWYMOUNJRZJH-SCZZXKLOSA-N 0 1 268.273 0.586 20 5 CCBDMN O=C(CC1CC1)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001280756357 904146099 /nfs/dbraw/zinc/14/60/99/904146099.db2.gz SKIBSZLHMBRJSD-DDHJBXDOSA-N 0 1 295.339 0.463 20 5 CCBDMN CCCC(=O)NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001284721018 905422685 /nfs/dbraw/zinc/42/26/85/905422685.db2.gz CHMPAYBSRKEZBF-GHMZBOCLSA-N 0 1 283.328 0.559 20 5 CCBDMN O=C(CC1CC1)NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001284721432 905423308 /nfs/dbraw/zinc/42/33/08/905423308.db2.gz NCOWZGHCRYQQQL-VXGBXAGGSA-N 0 1 295.339 0.559 20 5 CCBDMN CC(C)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001285458451 905641418 /nfs/dbraw/zinc/64/14/18/905641418.db2.gz JWJAASPSXFAMLL-YIZUVKHSSA-N 0 1 283.328 0.486 20 5 CCBDMN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC001285460479 905644758 /nfs/dbraw/zinc/64/47/58/905644758.db2.gz PQLFISVGFDWZHA-BSANDHCLSA-N 0 1 293.279 0.347 20 5 CCBDMN O=C(CCC1CCCC1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001292464450 906235213 /nfs/dbraw/zinc/23/52/13/906235213.db2.gz SIRZNPQFQOJXGW-VXGBXAGGSA-N 0 1 297.355 0.854 20 5 CCBDMN CN(C)c1nccc2c1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001337807249 921295218 /nfs/dbraw/zinc/29/52/18/921295218.db2.gz KXXUYRNJOKMKSQ-ZYHUDNBSSA-N 0 1 290.323 0.698 20 5 CCBDMN O=C(CC1CCC1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001299140880 907396294 /nfs/dbraw/zinc/39/62/94/907396294.db2.gz NPMPMDXMSYLJQG-GHMZBOCLSA-N 0 1 295.339 0.607 20 5 CCBDMN CN1CC[C@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001303900586 908124235 /nfs/dbraw/zinc/12/42/35/908124235.db2.gz UOYSVHHAODDBJY-QMMMGPOBSA-N 0 1 266.257 0.129 20 5 CCBDMN Cc1cc(C[C@@H](C)NC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC001319886776 910332877 /nfs/dbraw/zinc/33/28/77/910332877.db2.gz BFYWIAMOQPAPHW-SSDOTTSWSA-N 0 1 292.299 0.721 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCn3ccnc32)c1 ZINC001327993789 914910355 /nfs/dbraw/zinc/91/03/55/914910355.db2.gz XOVSWXCWWBDLDV-QWRGUYRKSA-N 0 1 292.299 0.083 20 5 CCBDMN Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2CC[N+](=O)[O-])cn1 ZINC001332698750 918392598 /nfs/dbraw/zinc/39/25/98/918392598.db2.gz QRRMACNYMJDUPB-NEPJUHHUSA-N 0 1 268.317 0.585 20 5 CCBDMN Cn1cc([C@@H](O)C[C@H]2CCCN2CC[N+](=O)[O-])cn1 ZINC001332698750 918392609 /nfs/dbraw/zinc/39/26/09/918392609.db2.gz QRRMACNYMJDUPB-NEPJUHHUSA-N 0 1 268.317 0.585 20 5 CCBDMN C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])O2)[C@H]1C ZINC001332708736 918396828 /nfs/dbraw/zinc/39/68/28/918396828.db2.gz VLXBEASYEYOZNB-IPKGDQBGSA-N 0 1 298.339 0.740 20 5 CCBDMN Cc1c(CC(=O)N2CCNC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC001340954955 922294054 /nfs/dbraw/zinc/29/40/54/922294054.db2.gz UKNFHWRYBKAYOD-GFCCVEGCSA-N 0 1 293.323 0.238 20 5 CCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(C)(C)C ZINC001351465954 925422915 /nfs/dbraw/zinc/42/29/15/925422915.db2.gz GJTBLZCVJNKACL-NXEZZACHSA-N 0 1 285.344 0.662 20 5 CCBDMN CC/C=C(\C)C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001358661373 926779884 /nfs/dbraw/zinc/77/98/84/926779884.db2.gz OUYBYXVSQAMTFL-MJMLHWTPSA-N 0 1 295.339 0.773 20 5 CCBDMN CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)C(=O)[O-] ZINC001589736489 950539556 /nfs/dbraw/zinc/53/95/56/950539556.db2.gz ULKUAMODIGOGSC-SECBINFHSA-N 0 1 283.284 0.552 20 5 CCBDMN C[C@H](C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-])C(=O)[O-] ZINC001589034190 955549303 /nfs/dbraw/zinc/54/93/03/955549303.db2.gz RCRWHANHXXNWSX-SSDOTTSWSA-N 0 1 256.262 0.481 20 5 CCBDMN COc1c(O)ccc(C[NH+]2CC(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001594048888 957959839 /nfs/dbraw/zinc/95/98/39/957959839.db2.gz XAABKKASQDBDHU-UHFFFAOYSA-N 0 1 282.252 0.825 20 5 CCBDMN C[N@@H+](CCC(N)=O)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598470705 992021401 /nfs/dbraw/zinc/02/14/01/992021401.db2.gz QRXHSSQQKMQGMI-UHFFFAOYSA-N 0 1 281.268 0.600 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1NCc1nn[nH]n1 ZINC000091549575 349467534 /nfs/dbraw/zinc/46/75/34/349467534.db2.gz WXZRRNBTLFAJGR-UHFFFAOYSA-N 0 1 252.238 0.245 20 5 CCBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599672307 361780897 /nfs/dbraw/zinc/78/08/97/361780897.db2.gz KYXLAFCRJHLXCL-WVSHTKLVSA-N 0 1 293.323 0.896 20 5 CCBDMN COCCNCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000095082294 349589163 /nfs/dbraw/zinc/58/91/63/349589163.db2.gz QSGXKBZSNIEZEI-UHFFFAOYSA-N 0 1 253.258 0.769 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000600530939 362005417 /nfs/dbraw/zinc/00/54/17/362005417.db2.gz CIHSDVCYMNRKGJ-SECBINFHSA-N 0 1 295.295 0.097 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000600808745 362065952 /nfs/dbraw/zinc/06/59/52/362065952.db2.gz PAAFMUSTLPUKGL-VIFPVBQESA-N 0 1 295.295 0.097 20 5 CCBDMN O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1COCCN1 ZINC000600953755 362097809 /nfs/dbraw/zinc/09/78/09/362097809.db2.gz BUIDWFBNIWKRDM-NSHDSACASA-N 0 1 288.307 0.965 20 5 CCBDMN CCc1nc(CNc2ncc([N+](=O)[O-])c(N)n2)n[nH]1 ZINC000295065003 199326142 /nfs/dbraw/zinc/32/61/42/199326142.db2.gz ZLUVBIOXMKESRP-UHFFFAOYSA-N 0 1 264.249 0.260 20 5 CCBDMN COC[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602467322 362632612 /nfs/dbraw/zinc/63/26/12/362632612.db2.gz HJIXENVXLCSOAE-VIFPVBQESA-N 0 1 254.290 0.797 20 5 CCBDMN COC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000119469299 349937760 /nfs/dbraw/zinc/93/77/60/349937760.db2.gz ALINLGPEOACVRD-SSDOTTSWSA-N 0 1 256.262 0.719 20 5 CCBDMN COC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000119469414 349937821 /nfs/dbraw/zinc/93/78/21/349937821.db2.gz ALINLGPEOACVRD-ZETCQYMHSA-N 0 1 256.262 0.719 20 5 CCBDMN C[C@H]1C[C@H](CO)CN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602698997 362758733 /nfs/dbraw/zinc/75/87/33/362758733.db2.gz OXKMNXVFSAEQJI-UWVGGRQHSA-N 0 1 268.317 0.779 20 5 CCBDMN CSC[C@@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343549154 137141709 /nfs/dbraw/zinc/14/17/09/137141709.db2.gz RKYCCZKBBNEGLE-VIFPVBQESA-N 0 1 274.302 0.162 20 5 CCBDMN O=C(NCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000344277531 137186574 /nfs/dbraw/zinc/18/65/74/137186574.db2.gz WBNGHBBORHHTSW-UHFFFAOYSA-N 0 1 294.311 0.911 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000344350054 137189761 /nfs/dbraw/zinc/18/97/61/137189761.db2.gz JSHLBIBCTBPOEI-MRVPVSSYSA-N 0 1 290.283 0.188 20 5 CCBDMN C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N(C)C ZINC000026857157 348095881 /nfs/dbraw/zinc/09/58/81/348095881.db2.gz MIWDVUXBYWUAHM-VIFPVBQESA-N 0 1 287.341 0.823 20 5 CCBDMN C[C@@H](CN(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000344904908 137220708 /nfs/dbraw/zinc/22/07/08/137220708.db2.gz HBYBNNANXAQFPY-ZETCQYMHSA-N 0 1 293.370 0.885 20 5 CCBDMN CN1CCN(C(=O)CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000037668626 348198566 /nfs/dbraw/zinc/19/85/66/348198566.db2.gz SLEQLTAOGBWDKO-UHFFFAOYSA-N 0 1 292.339 0.458 20 5 CCBDMN CN1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000602904133 362877126 /nfs/dbraw/zinc/87/71/26/362877126.db2.gz LVBZQEMMESNTFP-ZDUSSCGKSA-N 0 1 295.339 0.582 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCN(C2CC2)C1 ZINC000044411778 348319462 /nfs/dbraw/zinc/31/94/62/348319462.db2.gz JBSMLICGKQYDOC-QMMMGPOBSA-N 0 1 251.290 0.977 20 5 CCBDMN C[C@@]1(CO)C[C@@H](O)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000602909964 362881800 /nfs/dbraw/zinc/88/18/00/362881800.db2.gz WLSALBNODCZWRT-OLZOCXBDSA-N 0 1 266.297 0.912 20 5 CCBDMN COc1ccc(CN2[C@@H](CO)CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000347291683 137329048 /nfs/dbraw/zinc/32/90/48/137329048.db2.gz BPAWCJWXWSFCTE-VXGBXAGGSA-N 0 1 296.323 0.921 20 5 CCBDMN Cc1n[nH]c(C(=O)NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000064336759 348698409 /nfs/dbraw/zinc/69/84/09/348698409.db2.gz ITKMYWQOAIULNB-UHFFFAOYSA-N 0 1 281.316 0.842 20 5 CCBDMN CC[C@@H](CO)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000078522762 349141820 /nfs/dbraw/zinc/14/18/20/349141820.db2.gz FHZGEYZZJYOGAU-NSHDSACASA-N 0 1 280.328 0.883 20 5 CCBDMN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000080305416 349207527 /nfs/dbraw/zinc/20/75/27/349207527.db2.gz RSMMRCSULYMCHX-WPRPVWTQSA-N 0 1 297.340 0.960 20 5 CCBDMN CC1(C)CNCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000088139351 349357956 /nfs/dbraw/zinc/35/79/56/349357956.db2.gz YCXBKJJMBPXGNH-UHFFFAOYSA-N 0 1 299.352 0.967 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000134800351 350376415 /nfs/dbraw/zinc/37/64/15/350376415.db2.gz PDTLSWYBJBUHRI-UHFFFAOYSA-N 0 1 275.268 0.914 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CC(N)=O ZINC000135732084 350407046 /nfs/dbraw/zinc/40/70/46/350407046.db2.gz RYKFVWLIFCHNLC-QMMMGPOBSA-N 0 1 267.285 0.957 20 5 CCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000158925380 350664214 /nfs/dbraw/zinc/66/42/14/350664214.db2.gz CBLVJCNKJJVESA-PHIMTYICSA-N 0 1 293.327 0.534 20 5 CCBDMN CN(C)CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000171194216 350892177 /nfs/dbraw/zinc/89/21/77/350892177.db2.gz STQMSQRPRZHKPV-UHFFFAOYSA-N 0 1 266.301 0.685 20 5 CCBDMN CC1(C)[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1O ZINC000190705788 351732467 /nfs/dbraw/zinc/73/24/67/351732467.db2.gz FAKOEYJSBUPYAS-RQJHMYQMSA-N 0 1 254.246 0.207 20 5 CCBDMN CN1CCN(C)[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000225343373 352002039 /nfs/dbraw/zinc/00/20/39/352002039.db2.gz SXQAEHKUGZTITQ-NSHDSACASA-N 0 1 265.317 0.648 20 5 CCBDMN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC000237891491 352288133 /nfs/dbraw/zinc/28/81/33/352288133.db2.gz RTOOLAHSOBBDJZ-LBPRGKRZSA-N 0 1 279.296 0.242 20 5 CCBDMN CN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000604229165 363182857 /nfs/dbraw/zinc/18/28/57/363182857.db2.gz KFDSAYVHFNXTCQ-MRVPVSSYSA-N 0 1 252.274 0.747 20 5 CCBDMN O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@H]2CO)cc1 ZINC000245751644 352335906 /nfs/dbraw/zinc/33/59/06/352335906.db2.gz XUISKSFLCWZTHS-NWDGAFQWSA-N 0 1 252.270 0.522 20 5 CCBDMN O=C(NCC1(O)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000270771030 352983020 /nfs/dbraw/zinc/98/30/20/352983020.db2.gz DOJDGZUCGYPVEC-UHFFFAOYSA-N 0 1 254.246 0.353 20 5 CCBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000272564000 353074626 /nfs/dbraw/zinc/07/46/26/353074626.db2.gz MEPYGGOQMXZJCF-SSDOTTSWSA-N 0 1 281.268 0.507 20 5 CCBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)NCCF ZINC000282734950 353448502 /nfs/dbraw/zinc/44/85/02/353448502.db2.gz IHALYNRGVDHHFR-ZETCQYMHSA-N 0 1 299.258 0.504 20 5 CCBDMN O=[N+]([O-])c1ccc(CCN2CCOC[C@@H](O)C2)cc1 ZINC000295757456 353916835 /nfs/dbraw/zinc/91/68/35/353916835.db2.gz XTAYYSDMOJPCOM-ZDUSSCGKSA-N 0 1 266.297 0.830 20 5 CCBDMN O=C(NCCCCN1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298945923 353979401 /nfs/dbraw/zinc/97/94/01/353979401.db2.gz CEXAAPBGCSAZOM-UHFFFAOYSA-N 0 1 296.327 0.765 20 5 CCBDMN Cc1nc(N2CCN(C[C@H](C)O)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297266002 353960386 /nfs/dbraw/zinc/96/03/86/353960386.db2.gz WKKHNXROHDCPMD-UWVGGRQHSA-N 0 1 295.343 0.585 20 5 CCBDMN CN1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299208592 353998154 /nfs/dbraw/zinc/99/81/54/353998154.db2.gz ARVQNKMEWLDPKA-LLVKDONJSA-N 0 1 299.352 0.967 20 5 CCBDMN C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000332361596 354654229 /nfs/dbraw/zinc/65/42/29/354654229.db2.gz XXCLOWZNPMOCAY-JGVFFNPUSA-N 0 1 284.272 0.242 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCn2cnnc2C1 ZINC000332619958 354705851 /nfs/dbraw/zinc/70/58/51/354705851.db2.gz MEBLTSKRUDLCIN-UHFFFAOYSA-N 0 1 275.268 0.908 20 5 CCBDMN C[C@H]1OCC[C@@]1(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345528803 355844194 /nfs/dbraw/zinc/84/41/94/355844194.db2.gz BGUVDOYMJDUBPA-LHLIQPBNSA-N 0 1 254.246 0.615 20 5 CCBDMN Cn1nncc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360646276 138004213 /nfs/dbraw/zinc/00/42/13/138004213.db2.gz CKMVRCAZCDOKKJ-UHFFFAOYSA-N 0 1 277.240 0.359 20 5 CCBDMN C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000560325569 291094788 /nfs/dbraw/zinc/09/47/88/291094788.db2.gz FMTWKYDYLONLTC-VIFPVBQESA-N 0 1 293.327 0.874 20 5 CCBDMN C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000560325569 291094790 /nfs/dbraw/zinc/09/47/90/291094790.db2.gz FMTWKYDYLONLTC-VIFPVBQESA-N 0 1 293.327 0.874 20 5 CCBDMN O=C(CNc1ccccc1[N+](=O)[O-])NCc1c[nH]nn1 ZINC000610513540 363570574 /nfs/dbraw/zinc/57/05/74/363570574.db2.gz MUPGGFWHTBZVKI-UHFFFAOYSA-N 0 1 276.256 0.441 20 5 CCBDMN O=C(NCc1ccc(-n2ccnc2)nc1)[C@@H]1CC1[N+](=O)[O-] ZINC000363917744 357070712 /nfs/dbraw/zinc/07/07/12/357070712.db2.gz GKWISDZGEIFVTI-GHMZBOCLSA-N 0 1 287.279 0.549 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](n2cccn2)C1 ZINC000367860338 357287320 /nfs/dbraw/zinc/28/73/20/357287320.db2.gz SACRJLZKQQWPMS-OPRDCNLKSA-N 0 1 250.258 0.322 20 5 CCBDMN NC(=O)C[C@@H]1COCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449779540 236053154 /nfs/dbraw/zinc/05/31/54/236053154.db2.gz XVLJZPHYNBAOPD-SNVBAGLBSA-N 0 1 295.295 0.377 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)n1 ZINC000573604229 358983419 /nfs/dbraw/zinc/98/34/19/358983419.db2.gz TYZNVZMUKHJTIM-AOOOYVTPSA-N 0 1 293.327 0.778 20 5 CCBDMN COC1CCN(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000586794980 359291792 /nfs/dbraw/zinc/29/17/92/359291792.db2.gz LXVQEFBLHQZKAS-UHFFFAOYSA-N 0 1 297.315 0.159 20 5 CCBDMN C[NH+](C)C1CC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000590356066 359442454 /nfs/dbraw/zinc/44/24/54/359442454.db2.gz OEJXVNDHOUVAGZ-UHFFFAOYSA-N 0 1 280.284 0.518 20 5 CCBDMN O=C(Nc1n[nH]c2ncnn12)c1cccc([N+](=O)[O-])c1 ZINC000590377796 359445063 /nfs/dbraw/zinc/44/50/63/359445063.db2.gz GTMJKLLUZNDQFV-UHFFFAOYSA-N 0 1 273.212 0.613 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)c1[N+](=O)[O-] ZINC000590420884 359457167 /nfs/dbraw/zinc/45/71/67/359457167.db2.gz HNBWQWCXOSFSLP-BRPSZJMVSA-N 0 1 294.311 0.581 20 5 CCBDMN O=C(Nc1n[nH]c2ncnn12)c1ccc(F)cc1[N+](=O)[O-] ZINC000590552552 359483571 /nfs/dbraw/zinc/48/35/71/359483571.db2.gz OKZPLBMALCVJDN-UHFFFAOYSA-N 0 1 291.202 0.752 20 5 CCBDMN C[C@@H](O)CN1CCN(c2ccc(N)c([N+](=O)[O-])n2)[C@H](C)C1 ZINC000590579956 359489033 /nfs/dbraw/zinc/48/90/33/359489033.db2.gz ADIOVIVXNJPBDG-NXEZZACHSA-N 0 1 295.343 0.463 20 5 CCBDMN O=C(NCC[C@H]1CCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000611199374 363678585 /nfs/dbraw/zinc/67/85/85/363678585.db2.gz NKKDRAZUVJRSRR-SSDOTTSWSA-N 0 1 254.246 0.617 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](O)CC[C@H]2C)c1[N+](=O)[O-] ZINC000592936022 359989196 /nfs/dbraw/zinc/98/91/96/359989196.db2.gz JXQNWPBDEHNDLO-HTRCEHHLSA-N 0 1 268.273 0.612 20 5 CCBDMN CC[C@H](C(=O)[O-])[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000593288022 360061211 /nfs/dbraw/zinc/06/12/11/360061211.db2.gz FQNSUBLGHAJCRR-SECBINFHSA-N 0 1 256.262 0.586 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C[C@H](C)O)C2CC2)c1[N+](=O)[O-] ZINC000594416525 360297908 /nfs/dbraw/zinc/29/79/08/360297908.db2.gz XAUFLGGMVGKGRM-LURJTMIESA-N 0 1 268.273 0.612 20 5 CCBDMN C[NH+](C)CCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594744794 360373213 /nfs/dbraw/zinc/37/32/13/360373213.db2.gz PTJPKBUGQHJIBX-UHFFFAOYSA-N 0 1 288.329 0.220 20 5 CCBDMN CC[C@H](COC)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761884 360378216 /nfs/dbraw/zinc/37/82/16/360378216.db2.gz LLZBMIXDLHXOIR-MRVPVSSYSA-N 0 1 289.313 0.693 20 5 CCBDMN COc1ccc(CN[C@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000596056868 360782866 /nfs/dbraw/zinc/78/28/66/360782866.db2.gz ADVQNAICDFYXLT-VIFPVBQESA-N 0 1 265.269 0.582 20 5 CCBDMN CN(Cc1nnc[nH]1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178866226 189151316 /nfs/dbraw/zinc/15/13/16/189151316.db2.gz CPZKMGIPVLTQRS-LLVKDONJSA-N 0 1 277.284 0.878 20 5 CCBDMN CC[C@H]1CN(C)CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000597606598 361160408 /nfs/dbraw/zinc/16/04/08/361160408.db2.gz XRMNDWPQZRQNDS-JTQLQIEISA-N 0 1 295.343 0.885 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H]3COC[C@H]3C2)c1[N+](=O)[O-] ZINC000598397567 361403980 /nfs/dbraw/zinc/40/39/80/361403980.db2.gz WCNJTDCRXKTDIQ-DTWKUNHWSA-N 0 1 280.284 0.735 20 5 CCBDMN C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[NH+](C)C ZINC000598769686 361511998 /nfs/dbraw/zinc/51/19/98/361511998.db2.gz QESKKXCZWFGGAU-QMMMGPOBSA-N 0 1 282.300 0.765 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCNC[C@H]2C(F)F)c1[N+](=O)[O-] ZINC000564995977 291334407 /nfs/dbraw/zinc/33/44/07/291334407.db2.gz XCSFQIHXYBXOGZ-LURJTMIESA-N 0 1 289.242 0.305 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000367264665 296073567 /nfs/dbraw/zinc/07/35/67/296073567.db2.gz OGAZTIWHLDQUQD-NQMVMOMDSA-N 0 1 296.245 0.958 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H]2CO)c1[N+](=O)[O-] ZINC000276000121 193184867 /nfs/dbraw/zinc/18/48/67/193184867.db2.gz OFNCYRBEMJZCRD-HTRCEHHLSA-N 0 1 268.273 0.469 20 5 CCBDMN C[S@](=O)c1nncn1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000436475321 291455507 /nfs/dbraw/zinc/45/55/07/291455507.db2.gz OLNSGVUGMUOTHQ-IBGZPJMESA-N 0 1 282.281 0.678 20 5 CCBDMN CCN(C)C(=O)[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000276582418 193388904 /nfs/dbraw/zinc/38/89/04/193388904.db2.gz JSSKWLHCWZFUNM-MRVPVSSYSA-N 0 1 295.295 0.897 20 5 CCBDMN COCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000264558900 190118148 /nfs/dbraw/zinc/11/81/48/190118148.db2.gz QHIZWTSHVOXCEK-SECBINFHSA-N 0 1 283.284 0.638 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2C[C@H](O)[C@H](CO)C2)c1 ZINC000459685988 249053092 /nfs/dbraw/zinc/05/30/92/249053092.db2.gz GTQUTIJFHFAFHX-GWCFXTLKSA-N 0 1 282.296 0.259 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H](CO)[C@@H](O)C1 ZINC000516494737 249167887 /nfs/dbraw/zinc/16/78/87/249167887.db2.gz PCNXSZOBKPODJE-RNCFNFMXSA-N 0 1 282.296 0.476 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000267273585 190317272 /nfs/dbraw/zinc/31/72/72/190317272.db2.gz SYXRWLQOAIFZDL-SNVBAGLBSA-N 0 1 254.246 0.223 20 5 CCBDMN COC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000262220756 274044042 /nfs/dbraw/zinc/04/40/42/274044042.db2.gz PDRVZLFTSXESMP-SNVBAGLBSA-N 0 1 265.269 0.458 20 5 CCBDMN C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000571880117 291843228 /nfs/dbraw/zinc/84/32/28/291843228.db2.gz QRTNGDUIBGHJSV-VIFPVBQESA-N 0 1 294.311 0.767 20 5 CCBDMN CC(C)(CC(N)=O)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000186224570 388828870 /nfs/dbraw/zinc/82/88/70/388828870.db2.gz HUCDNCIDIKYKPK-UHFFFAOYSA-N 0 1 294.311 0.777 20 5 CCBDMN CC[NH+](CC)CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186851621 388856989 /nfs/dbraw/zinc/85/69/89/388856989.db2.gz HLHFAYZHOUPWES-UHFFFAOYSA-N 0 1 282.300 0.767 20 5 CCBDMN C[C@@H](O)CN(CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000289775066 388890821 /nfs/dbraw/zinc/89/08/21/388890821.db2.gz LLNSEFZTBAMPBS-SNVBAGLBSA-N 0 1 254.286 0.770 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1CCN(CCO)CC1 ZINC000051211064 388926605 /nfs/dbraw/zinc/92/66/05/388926605.db2.gz IDHTZIAIIPSXDZ-UHFFFAOYSA-N 0 1 295.339 0.584 20 5 CCBDMN C[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(=O)O1 ZINC000298550658 389029618 /nfs/dbraw/zinc/02/96/18/389029618.db2.gz XTKAIWAICHIJEH-LHLIQPBNSA-N 0 1 280.236 0.734 20 5 CCBDMN C[C@H]([NH3+])C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000195298536 389122669 /nfs/dbraw/zinc/12/26/69/389122669.db2.gz RUAHSBDOWCKJOS-LURJTMIESA-N 0 1 293.732 0.874 20 5 CCBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCc1nc[nH]n1 ZINC000135435413 389256950 /nfs/dbraw/zinc/25/69/50/389256950.db2.gz GSDQDYRGVRHETM-UHFFFAOYSA-N 0 1 290.283 0.727 20 5 CCBDMN CCCCN(CCO)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000269446432 389419010 /nfs/dbraw/zinc/41/90/10/389419010.db2.gz FJQAAPGVBBHQFQ-UHFFFAOYSA-N 0 1 270.289 0.861 20 5 CCBDMN COCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000171129822 389471994 /nfs/dbraw/zinc/47/19/94/389471994.db2.gz OMFLRMDDNZJXEZ-UHFFFAOYSA-N 0 1 297.311 0.608 20 5 CCBDMN C[C@H](CO)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000271149993 389439054 /nfs/dbraw/zinc/43/90/54/389439054.db2.gz QDMPMPITBRMLTB-ZETCQYMHSA-N 0 1 256.262 0.456 20 5 CCBDMN C[C@H](O)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000178906559 389627728 /nfs/dbraw/zinc/62/77/28/389627728.db2.gz ZLWQJDHUDKIWSD-ZETCQYMHSA-N 0 1 292.288 0.783 20 5 CCBDMN C[C@@H]([NH3+])CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000178909413 389627789 /nfs/dbraw/zinc/62/77/89/389627789.db2.gz GNRJNKNIXKGBHA-ZCFIWIBFSA-N 0 1 279.343 0.672 20 5 CCBDMN O=C(Nc1nn[nH]n1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000351670958 389653675 /nfs/dbraw/zinc/65/36/75/389653675.db2.gz AFPCRSXXXUHOOR-UHFFFAOYSA-N 0 1 274.200 0.237 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[S@](=O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000352306745 389787318 /nfs/dbraw/zinc/78/73/18/389787318.db2.gz PCZFLDXCKPBTLY-PVDFSEMESA-N 0 1 286.313 0.219 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000408248927 389837865 /nfs/dbraw/zinc/83/78/65/389837865.db2.gz LZFDZUNUJFXTPE-LBPRGKRZSA-N 0 1 280.284 0.879 20 5 CCBDMN C[C@H]1CCN(C)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352832792 389838509 /nfs/dbraw/zinc/83/85/09/389838509.db2.gz PXMXPIQVVUWNOP-QMMMGPOBSA-N 0 1 267.289 0.484 20 5 CCBDMN O=C(CNc1ccccc1[N+](=O)[O-])NCCN1CCC1 ZINC000443957155 389887379 /nfs/dbraw/zinc/88/73/79/389887379.db2.gz JYTXOFRPVNWRIR-UHFFFAOYSA-N 0 1 278.312 0.829 20 5 CCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000497017892 390403366 /nfs/dbraw/zinc/40/33/66/390403366.db2.gz GSLCPEZPUTUZMC-RKDXNWHRSA-N 0 1 287.316 0.635 20 5 CCBDMN CC[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572562051 390789504 /nfs/dbraw/zinc/78/95/04/390789504.db2.gz IRUXSHNQNZAECW-DGCLKSJQSA-N 0 1 297.359 0.178 20 5 CCBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000578109493 390864872 /nfs/dbraw/zinc/86/48/72/390864872.db2.gz KMIJMESBCCAXBQ-YPMHNXCESA-N 0 1 266.297 0.770 20 5 CCBDMN O=C(N[C@@H]1CCC(=O)N[C@@H]1C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000356725500 144027192 /nfs/dbraw/zinc/02/71/92/144027192.db2.gz AZWPASBYPMZQQE-GMSGAONNSA-N 0 1 293.283 0.105 20 5 CCBDMN CCC[C@@H]1CNCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000359212678 144202792 /nfs/dbraw/zinc/20/27/92/144202792.db2.gz CXOXUKVOVNPWIT-SNVBAGLBSA-N 0 1 281.316 0.392 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOCC2(CCC2)C1 ZINC000371930438 144348135 /nfs/dbraw/zinc/34/81/35/144348135.db2.gz IEJNCTBVJFLICB-NXEZZACHSA-N 0 1 254.286 0.681 20 5 CCBDMN CC(C)CN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000547751565 285972699 /nfs/dbraw/zinc/97/26/99/285972699.db2.gz PWKSAYJMPQKVRD-UHFFFAOYSA-N 0 1 281.316 0.732 20 5 CCBDMN O=C(NCCCc1nc[nH]n1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000552027992 286149027 /nfs/dbraw/zinc/14/90/27/286149027.db2.gz ZTJROHDQJMAVQL-UHFFFAOYSA-N 0 1 292.255 0.176 20 5 CCBDMN C[C@@H]1C(=O)N(C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339099385 287173355 /nfs/dbraw/zinc/17/33/55/287173355.db2.gz NHHMBLYFBYMIHP-SECBINFHSA-N 0 1 279.296 0.963 20 5 CCBDMN C[C@@H]1C(=O)NCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272542608 287183977 /nfs/dbraw/zinc/18/39/77/287183977.db2.gz OCPASHASKXMPHH-SSDOTTSWSA-N 0 1 279.252 0.261 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000043709417 175102963 /nfs/dbraw/zinc/10/29/63/175102963.db2.gz BWLCNRVVJYSSJJ-SKDRFNHKSA-N 0 1 279.296 0.760 20 5 CCBDMN COCCN1[C@H](C)CN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000302243127 274035443 /nfs/dbraw/zinc/03/54/43/274035443.db2.gz YWWYOJCVSLPIQY-PHIMTYICSA-N 0 1 295.343 0.930 20 5 CCBDMN C[C@@H]1CN[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000086468551 288328810 /nfs/dbraw/zinc/32/88/10/288328810.db2.gz SGXVQYICLRXRSF-VHSXEESVSA-N 0 1 299.352 0.966 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@]2(C)CO)c1[N+](=O)[O-] ZINC000581923174 336167979 /nfs/dbraw/zinc/16/79/79/336167979.db2.gz TYSKCLKHOJOWJJ-LBPRGKRZSA-N 0 1 282.300 0.867 20 5 CCBDMN Cc1ccc(CN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449524347 533961730 /nfs/dbraw/zinc/96/17/30/533961730.db2.gz PXAMWBOLTHRQNQ-PHIMTYICSA-N 0 1 289.291 0.608 20 5 CCBDMN COC1CC(N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000340935078 522665869 /nfs/dbraw/zinc/66/58/69/522665869.db2.gz DKGOLIICVGWSGC-UHFFFAOYSA-N 0 1 268.273 0.876 20 5 CCBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2 ZINC000164044843 526913916 /nfs/dbraw/zinc/91/39/16/526913916.db2.gz YRFHAFIHZLBPNP-OCAPTIKFSA-N 0 1 265.273 0.284 20 5 CCBDMN CCOC[C@@H](O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356759727 535675005 /nfs/dbraw/zinc/67/50/05/535675005.db2.gz DDXBYPKSSIZNTB-NSHDSACASA-N 0 1 284.268 0.428 20 5 CCBDMN O=C(COc1ccccc1[N+](=O)[O-])Nc1c[nH]nn1 ZINC000790062998 581174860 /nfs/dbraw/zinc/17/48/60/581174860.db2.gz KSRCUUKIBQCWDV-UHFFFAOYSA-N 0 1 263.213 0.730 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782613358 581313726 /nfs/dbraw/zinc/31/37/26/581313726.db2.gz DPZWGECTJFOOMX-BNOWGMLFSA-N 0 1 278.308 0.942 20 5 CCBDMN Cc1nc(COC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC000795478705 581409115 /nfs/dbraw/zinc/40/91/15/581409115.db2.gz FOZQPHKRPNVBME-UHFFFAOYSA-N 0 1 266.217 0.112 20 5 CCBDMN CC(=O)NCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000729096861 581549808 /nfs/dbraw/zinc/54/98/08/581549808.db2.gz GEMAYEJSGWZJBH-UHFFFAOYSA-N 0 1 255.230 0.606 20 5 CCBDMN Cn1c(C(=O)OCCc2c[nH]nn2)ccc1[N+](=O)[O-] ZINC000735033212 581609413 /nfs/dbraw/zinc/60/94/13/581609413.db2.gz NPBMJXFNIXWPTD-UHFFFAOYSA-N 0 1 265.229 0.451 20 5 CCBDMN Cn1c(C(=O)OCCc2cnn[nH]2)ccc1[N+](=O)[O-] ZINC000735033212 581609414 /nfs/dbraw/zinc/60/94/14/581609414.db2.gz NPBMJXFNIXWPTD-UHFFFAOYSA-N 0 1 265.229 0.451 20 5 CCBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1nn[nH]n1 ZINC000731887491 581789134 /nfs/dbraw/zinc/78/91/34/581789134.db2.gz NDHFJNPBRUSIJE-UHFFFAOYSA-N 0 1 291.271 0.104 20 5 CCBDMN CC(C)(COC(=O)c1ccc([N+](=O)[O-])[nH]1)S(C)(=O)=O ZINC000776578758 582079334 /nfs/dbraw/zinc/07/93/34/582079334.db2.gz FZEPGAMEVIKZAI-UHFFFAOYSA-N 0 1 290.297 0.903 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1NC(=O)[O-] ZINC000826059089 603996177 /nfs/dbraw/zinc/99/61/77/603996177.db2.gz RRRBTJJZQSXPCR-MWLCHTKSSA-N 0 1 297.315 0.769 20 5 CCBDMN C[C@@H]1C[NH+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)N1C(=O)[O-] ZINC000826059680 603996413 /nfs/dbraw/zinc/99/64/13/603996413.db2.gz YMWLRVGEMMQEQN-NXEZZACHSA-N 0 1 297.315 0.864 20 5 CCBDMN O=C([O-])NCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000832641768 604358891 /nfs/dbraw/zinc/35/88/91/604358891.db2.gz JAFPPCBHGWCAPB-UHFFFAOYSA-N 0 1 294.311 0.984 20 5 CCBDMN C[NH+](C)CCSc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821587388 606719879 /nfs/dbraw/zinc/71/98/79/606719879.db2.gz VDYSCPYKHLKNEO-UHFFFAOYSA-N 0 1 295.328 0.824 20 5 CCBDMN C[NH+](C)CCSc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821587388 606719880 /nfs/dbraw/zinc/71/98/80/606719880.db2.gz VDYSCPYKHLKNEO-UHFFFAOYSA-N 0 1 295.328 0.824 20 5 CCBDMN COc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1CO ZINC000840399729 617270725 /nfs/dbraw/zinc/27/07/25/617270725.db2.gz QPUAHQQHLJKBJQ-NXEZZACHSA-N 0 1 266.253 0.791 20 5 CCBDMN CC(=O)NCCCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000922801878 613724056 /nfs/dbraw/zinc/72/40/56/613724056.db2.gz DGQJFSBHZTXGPH-NXEZZACHSA-N 0 1 258.274 0.501 20 5 CCBDMN CC(C)(C)N1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000843615768 613937137 /nfs/dbraw/zinc/93/71/37/613937137.db2.gz LBPVULKENREGQT-HRDYMLBCSA-N 0 1 269.301 0.167 20 5 CCBDMN CC(C)(CCC(=O)OCCc1c[nH]nn1)[N+](=O)[O-] ZINC000835182908 614082251 /nfs/dbraw/zinc/08/22/51/614082251.db2.gz PBYOJJTVWQLOHK-UHFFFAOYSA-N 0 1 256.262 0.726 20 5 CCBDMN CC(C)(CCC(=O)OCCc1cnn[nH]1)[N+](=O)[O-] ZINC000835182908 614082253 /nfs/dbraw/zinc/08/22/53/614082253.db2.gz PBYOJJTVWQLOHK-UHFFFAOYSA-N 0 1 256.262 0.726 20 5 CCBDMN CC(C)[C@@H](C)NC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672670 614091166 /nfs/dbraw/zinc/09/11/66/614091166.db2.gz OAYSGAROSZMMEJ-IWSPIJDZSA-N 0 1 258.274 0.356 20 5 CCBDMN CC(C)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccnn1C ZINC000839733615 614209588 /nfs/dbraw/zinc/20/95/88/614209588.db2.gz KYDBWHQVUXUNAX-JFGNBEQYSA-N 0 1 280.328 0.941 20 5 CCBDMN CC/C=C\[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000851336435 614420207 /nfs/dbraw/zinc/42/02/07/614420207.db2.gz WCGNCRYGQJTYLB-LOEOWCKYSA-N 0 1 257.242 0.703 20 5 CCBDMN CC1(C)CC(=O)NCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000931201733 614509830 /nfs/dbraw/zinc/50/98/30/614509830.db2.gz FOMARQYQYQCIAK-UHFFFAOYSA-N 0 1 281.316 0.392 20 5 CCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2(C)CC2)C1 ZINC000967946878 614651341 /nfs/dbraw/zinc/65/13/41/614651341.db2.gz RXJUGPWUMNYYQO-GHMZBOCLSA-N 0 1 295.339 0.511 20 5 CCBDMN CCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)(C)C1=O ZINC000839729267 614686666 /nfs/dbraw/zinc/68/66/66/614686666.db2.gz ASPHJHWRTPVRKN-NXEZZACHSA-N 0 1 283.328 0.511 20 5 CCBDMN CCCC(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954235061 614720660 /nfs/dbraw/zinc/72/06/60/614720660.db2.gz PVAMGQXDYHJCKG-NXEZZACHSA-N 0 1 269.301 0.121 20 5 CCBDMN CC1(C)[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000839690179 614869243 /nfs/dbraw/zinc/86/92/43/614869243.db2.gz HXYXXSMUKJOWEC-ILAIQSSSSA-N 0 1 268.313 0.971 20 5 CCBDMN CCOC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000834856706 615290172 /nfs/dbraw/zinc/29/01/72/615290172.db2.gz GWIAKWDYRXICLH-IWSPIJDZSA-N 0 1 256.258 0.063 20 5 CCBDMN CCN1CC[C@H]1CNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000829450325 615312522 /nfs/dbraw/zinc/31/25/22/615312522.db2.gz QIFUTQDBMNWFCB-JTQLQIEISA-N 0 1 281.316 0.310 20 5 CCBDMN CCOC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840420703 615373082 /nfs/dbraw/zinc/37/30/82/615373082.db2.gz NMNOTPZHTDIFEZ-IWSPIJDZSA-N 0 1 256.258 0.206 20 5 CCBDMN CN(C(=O)C=C1CCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954023026 615805614 /nfs/dbraw/zinc/80/56/14/615805614.db2.gz KJBYSSFGEAFDKC-VXGBXAGGSA-N 0 1 293.323 0.431 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3CC[C@H]2C3)n1 ZINC000597708079 616014687 /nfs/dbraw/zinc/01/46/87/616014687.db2.gz HUNKPYBSKOJIKE-VIFPVBQESA-N 0 1 279.300 0.341 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN3CC[C@H]2C3)n1 ZINC000597708079 616014689 /nfs/dbraw/zinc/01/46/89/616014689.db2.gz HUNKPYBSKOJIKE-VIFPVBQESA-N 0 1 279.300 0.341 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[N@@H+]3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000597710248 616030765 /nfs/dbraw/zinc/03/07/65/616030765.db2.gz RLXDGOXMCUPSHZ-QMMMGPOBSA-N 0 1 279.300 0.410 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[N@H+]3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000597710248 616030766 /nfs/dbraw/zinc/03/07/66/616030766.db2.gz RLXDGOXMCUPSHZ-QMMMGPOBSA-N 0 1 279.300 0.410 20 5 CCBDMN CN(CC1CC1)C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670871 616058592 /nfs/dbraw/zinc/05/85/92/616058592.db2.gz LZOUGUMXTOIFMY-RKDXNWHRSA-N 0 1 256.258 0.063 20 5 CCBDMN CN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839465571 616163006 /nfs/dbraw/zinc/16/30/06/616163006.db2.gz XRXMSWCRDIEYCZ-HBNTYKKESA-N 0 1 292.291 0.950 20 5 CCBDMN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000863328739 616302059 /nfs/dbraw/zinc/30/20/59/616302059.db2.gz CITADWNOEAVLDQ-MTVMDMGHSA-N 0 1 296.323 0.842 20 5 CCBDMN COC(=O)C1CCC(OC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000842337931 616464225 /nfs/dbraw/zinc/46/42/25/616464225.db2.gz DWFZNJPYHOPUFW-YDYPAMBWSA-N 0 1 271.269 0.927 20 5 CCBDMN CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000900288365 616477153 /nfs/dbraw/zinc/47/71/53/616477153.db2.gz VSFABRWNHFSHEO-OCCSQVGLSA-N 0 1 293.323 0.666 20 5 CCBDMN CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000900404249 616477739 /nfs/dbraw/zinc/47/77/39/616477739.db2.gz ZJJZRUJIUONROS-OCCSQVGLSA-N 0 1 293.323 0.666 20 5 CCBDMN CN1C[C@H](O)C[C@]1(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000900404251 616500909 /nfs/dbraw/zinc/50/09/09/616500909.db2.gz ZJJZRUJIUONROS-TZMCWYRMSA-N 0 1 293.323 0.666 20 5 CCBDMN COC(=O)[C@@]1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1C ZINC000869836460 616544582 /nfs/dbraw/zinc/54/45/82/616544582.db2.gz GGQNFOICHYNPLR-HAYRHPOISA-N 0 1 270.285 0.309 20 5 CCBDMN CNC(=O)C1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000887082947 616550559 /nfs/dbraw/zinc/55/05/59/616550559.db2.gz LAVIJHSNSIRZOB-UHFFFAOYSA-N 0 1 293.323 0.980 20 5 CCBDMN COC(=O)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000889169975 616644892 /nfs/dbraw/zinc/64/48/92/616644892.db2.gz RAKKWARGDLYCSW-IWSPIJDZSA-N 0 1 272.301 0.746 20 5 CCBDMN COCC(C)(C)N1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000819893644 616722595 /nfs/dbraw/zinc/72/25/95/616722595.db2.gz LAUASKNFQJVNEB-UHFFFAOYSA-N 0 1 297.359 0.791 20 5 CCBDMN COC(=O)[C@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840359432 616752809 /nfs/dbraw/zinc/75/28/09/616752809.db2.gz NLIOAITVZXPJJZ-SOCHQFKDSA-N 0 1 256.258 0.110 20 5 CCBDMN COC(=O)c1ccc2c(c1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000839662541 616923070 /nfs/dbraw/zinc/92/30/70/616923070.db2.gz CZHWOOKQBZPECF-VXGBXAGGSA-N 0 1 290.275 0.981 20 5 CCBDMN O=C(N[C@@H]1C[C@H](NC(=O)C2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000973783791 625299564 /nfs/dbraw/zinc/29/95/64/625299564.db2.gz LWKSTPCJZBUCOP-WRWGMCAJSA-N 0 1 295.339 0.605 20 5 CCBDMN CC(C)(O)CN1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000158582569 622739939 /nfs/dbraw/zinc/73/99/39/622739939.db2.gz CREQSNOXSKKOCX-UHFFFAOYSA-N 0 1 283.332 0.137 20 5 CCBDMN Cc1cnc2n1CC[C@H]2OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000893532374 630774443 /nfs/dbraw/zinc/77/44/43/630774443.db2.gz NVCRPVGIBOULSI-IWSPIJDZSA-N 0 1 251.242 0.845 20 5 CCBDMN Cc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC000840671922 631673384 /nfs/dbraw/zinc/67/33/84/631673384.db2.gz FZLDUIXDWQVJJM-XLPZGREQSA-N 0 1 283.240 0.518 20 5 CCBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1C(N)=O ZINC000839650914 640347730 /nfs/dbraw/zinc/34/77/30/640347730.db2.gz OMEQCXQUEUBFHU-NXEZZACHSA-N 0 1 263.253 0.698 20 5 CCBDMN CN(CC(F)F)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839689923 640349827 /nfs/dbraw/zinc/34/98/27/640349827.db2.gz CBXBNNWBRCFCSL-NXEZZACHSA-N 0 1 291.298 0.840 20 5 CCBDMN C[C@@](O)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccsc1 ZINC000839690976 640350216 /nfs/dbraw/zinc/35/02/16/640350216.db2.gz FCYXGNQCXCPRCX-FXPVBKGRSA-N 0 1 270.310 0.737 20 5 CCBDMN O=C(NCC[C@@H](O)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839697496 640351313 /nfs/dbraw/zinc/35/13/13/640351313.db2.gz SDAYYIAMDXVMJW-IJLUTSLNSA-N 0 1 264.281 0.892 20 5 CCBDMN Cn1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc(Cl)c1=O ZINC000839704698 640355484 /nfs/dbraw/zinc/35/54/84/640355484.db2.gz VRHVICSRKWMSAH-HTRCEHHLSA-N 0 1 271.660 0.642 20 5 CCBDMN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839729656 640360001 /nfs/dbraw/zinc/36/00/01/640360001.db2.gz VLMOEUNDEGPYJR-IWSPIJDZSA-N 0 1 271.317 0.413 20 5 CCBDMN C[C@@H]1CN(CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000839747340 640360578 /nfs/dbraw/zinc/36/05/78/640360578.db2.gz PVCABWDNFRQRBP-WRWGMCAJSA-N 0 1 285.344 0.219 20 5 CCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000839746949 640360861 /nfs/dbraw/zinc/36/08/61/640360861.db2.gz CQGLWAWYKMGNSP-BTQIBKBOSA-N 0 1 270.285 0.058 20 5 CCBDMN O=C(N[C@@H]([C@H](CO)C1CC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839784011 640364644 /nfs/dbraw/zinc/36/46/44/640364644.db2.gz YZIIKYQYCXQFPG-DDHJBXDOSA-N 0 1 268.313 0.565 20 5 CCBDMN C[C@](NC(=O)[C@@H]1CC1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000840306163 641050899 /nfs/dbraw/zinc/05/08/99/641050899.db2.gz RVFBNPUAFQWEJT-GIPNMCIBSA-N 0 1 277.280 0.169 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](CCO)CC1 ZINC000817699896 641269647 /nfs/dbraw/zinc/26/96/47/641269647.db2.gz HAPWLRCKDPZUQW-GMTAPVOTSA-N 0 1 256.302 0.663 20 5 CCBDMN O=[N+]([O-])c1ccc(-c2nc(N3CC[NH2+]CC3)no2)[n-]1 ZINC000823346479 641757433 /nfs/dbraw/zinc/75/74/33/641757433.db2.gz JJRYKQUJGUFNDI-UHFFFAOYSA-N 0 1 264.245 0.383 20 5 CCBDMN Cc1nn(C)cc1CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842375433 642893331 /nfs/dbraw/zinc/89/33/31/642893331.db2.gz HLOVWDOTSYCHEZ-NXEZZACHSA-N 0 1 253.258 0.479 20 5 CCBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000844435911 643215417 /nfs/dbraw/zinc/21/54/17/643215417.db2.gz ZMVBPOAVWCTFLU-CCKXHYTFSA-N 0 1 296.348 0.833 20 5 CCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1O ZINC000845174554 643286811 /nfs/dbraw/zinc/28/68/11/643286811.db2.gz MUEDCJVAGSOTAX-RKDXNWHRSA-N 0 1 265.221 0.783 20 5 CCBDMN O=C(N[C@H]1CCc2ccccc2NC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000847148272 643490107 /nfs/dbraw/zinc/49/01/07/643490107.db2.gz AYFLBLRGQDWGGY-ADEWGFFLSA-N 0 1 289.291 0.721 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC2CCC2)n1 ZINC000859058538 644662236 /nfs/dbraw/zinc/66/22/36/644662236.db2.gz AVMFWTYXHWOZIS-UHFFFAOYSA-N 0 1 288.329 0.797 20 5 CCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)OCCN1CCC1 ZINC000861387186 644876512 /nfs/dbraw/zinc/87/65/12/644876512.db2.gz FXQSTWZXLKJLDW-UHFFFAOYSA-N 0 1 268.273 0.430 20 5 CCBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC=C[C@@H]2CO)c1 ZINC000880482405 647206140 /nfs/dbraw/zinc/20/61/40/647206140.db2.gz HVDAWIASBVFGKZ-OLZOCXBDSA-N 0 1 294.307 0.567 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCCn3nncc3C2)c1 ZINC000886457514 647974357 /nfs/dbraw/zinc/97/43/57/647974357.db2.gz CPHKZLWQADQRHV-UHFFFAOYSA-N 0 1 277.288 0.289 20 5 CCBDMN Cn1nc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C(F)(F)F ZINC000890010365 648264708 /nfs/dbraw/zinc/26/47/08/648264708.db2.gz IHYMDPBBEOIUEN-RNFRBKRXSA-N 0 1 292.217 0.720 20 5 CCBDMN O=C(NCC(F)(F)F)C1CCN(CC[N+](=O)[O-])CC1 ZINC000929166945 648710050 /nfs/dbraw/zinc/71/00/50/648710050.db2.gz XOWLENMHDFDTOR-UHFFFAOYSA-N 0 1 283.250 0.654 20 5 CCBDMN Cc1nc(N2C[C@H]3OCCN(C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164671072 719472606 /nfs/dbraw/zinc/47/26/06/719472606.db2.gz ZLXKJAROGONFSH-GHMZBOCLSA-N 0 1 279.300 0.212 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(OC[C@@H]2CN(C)CCO2)n1 ZINC001231261299 805764276 /nfs/dbraw/zinc/76/42/76/805764276.db2.gz AKKHRHPDSMZICH-VIFPVBQESA-N 0 1 283.284 0.713 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CN2CCC1CC2 ZINC001120774170 798934591 /nfs/dbraw/zinc/93/45/91/798934591.db2.gz KMKJHVJUIGCAHF-NSHDSACASA-N 0 1 279.300 0.002 20 5 CCBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H](c2nc[nH]n2)C1 ZINC001153863558 800680375 /nfs/dbraw/zinc/68/03/75/800680375.db2.gz OGZFDUYJMCAKCI-SSDOTTSWSA-N 0 1 291.271 0.456 20 5 CCBDMN COc1nc(N[C@H]2CN3CCC2CC3)ncc1[N+](=O)[O-] ZINC001155661912 801033973 /nfs/dbraw/zinc/03/39/73/801033973.db2.gz LWYZOVULXVNZAK-VIFPVBQESA-N 0 1 279.300 0.900 20 5 CCBDMN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H]2CCN(C)C2)n1 ZINC001156581524 801191481 /nfs/dbraw/zinc/19/14/81/801191481.db2.gz SRZQLSOGQAFAPP-VIFPVBQESA-N 0 1 294.315 0.768 20 5 CCBDMN COc1cnc(-n2c(C)ncc(CN)c2=N)c([N+](=O)[O-])c1 ZINC001156828759 801243471 /nfs/dbraw/zinc/24/34/71/801243471.db2.gz COZPWYKYWIDXGT-UHFFFAOYSA-N 0 1 290.283 0.431 20 5 CCBDMN O=C(N[C@H]1CC[C@@H](O)[C@@H](O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001157292564 801345737 /nfs/dbraw/zinc/34/57/37/801345737.db2.gz FURFMODHTBCCTB-AXTRIDKLSA-N 0 1 296.279 0.305 20 5 CCBDMN CN(C1CN(c2ccc([N+](=O)[O-])c(N)n2)C1)[C@H]1CCOC1 ZINC001158738115 801697206 /nfs/dbraw/zinc/69/72/06/801697206.db2.gz ZGYFAKUEZOTWOB-VIFPVBQESA-N 0 1 293.327 0.481 20 5 CCBDMN Cc1csc(NCCNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC001161160304 802104146 /nfs/dbraw/zinc/10/41/46/802104146.db2.gz MCASJJCKNKHPKH-UHFFFAOYSA-N 0 1 296.312 0.925 20 5 CCBDMN Cc1nnc(CN)n1-c1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC001163346612 802540014 /nfs/dbraw/zinc/54/00/14/802540014.db2.gz QBCCUDYRJYQDSG-UHFFFAOYSA-N 0 1 283.679 0.694 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2cnc(F)c([N+](=O)[O-])c2)S1 ZINC001163673082 802588724 /nfs/dbraw/zinc/58/87/24/802588724.db2.gz VMSDEVRMBWPRMS-SSDOTTSWSA-N 0 1 272.217 0.850 20 5 CCBDMN CN(C1CN(c2cccc([N+](=O)[O-])n2)C1)[C@@H]1CCOC1 ZINC001165203884 802795417 /nfs/dbraw/zinc/79/54/17/802795417.db2.gz LVUUJCDREPLRHL-SNVBAGLBSA-N 0 1 278.312 0.899 20 5 CCBDMN O=[N+]([O-])c1ccc(N2CC[C@H](OCc3nn[nH]n3)C2)nc1 ZINC001223027329 804947104 /nfs/dbraw/zinc/94/71/04/804947104.db2.gz NZKKQDFMLWEMRE-VIFPVBQESA-N 0 1 291.271 0.298 20 5 CCBDMN CN1CCO[C@H](COc2cc(O)ccc2[N+](=O)[O-])C1=O ZINC001225490775 805134801 /nfs/dbraw/zinc/13/48/01/805134801.db2.gz KGZNZQRZDVTCSX-LLVKDONJSA-N 0 1 282.252 0.536 20 5 CCBDMN C[N@H+]1CCC[C@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])CC1 ZINC001226330794 805218661 /nfs/dbraw/zinc/21/86/61/805218661.db2.gz CDZKJUIFXUBVBK-QMMMGPOBSA-N 0 1 268.273 0.954 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(OC(=O)[C@H](C)O)cc1O ZINC001228811741 805481090 /nfs/dbraw/zinc/48/10/90/805481090.db2.gz SAARWBKIROPIHR-YFKPBYRVSA-N 0 1 285.208 0.373 20 5 CCBDMN Cc1nc(OC[C@@H]2CCCO2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229380771 805526293 /nfs/dbraw/zinc/52/62/93/805526293.db2.gz KYOSOWDHFCVINR-ZETCQYMHSA-N 0 1 255.230 0.957 20 5 CCBDMN Cc1nc(O[C@H](C)CN2CCOCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377052 805527677 /nfs/dbraw/zinc/52/76/77/805527677.db2.gz YYHBAEBABLTXNB-MRVPVSSYSA-N 0 1 298.299 0.498 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)Cc2nc[nH]n2)c1[N+](=O)[O-] ZINC001256263753 808487472 /nfs/dbraw/zinc/48/74/72/808487472.db2.gz ZCEKOGSJAOIWAB-UHFFFAOYSA-N 0 1 265.233 0.017 20 5 CCBDMN CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nn[nH]n1 ZINC001279178262 809971491 /nfs/dbraw/zinc/97/14/91/809971491.db2.gz AYKQSVFQBDJZOQ-UHFFFAOYSA-N 0 1 292.211 0.113 20 5 CCBDMN COC(=O)C[C@H](Oc1cc(O)ccc1[N+](=O)[O-])C(=O)OC ZINC001225488532 812937482 /nfs/dbraw/zinc/93/74/82/812937482.db2.gz HTCQWAPJQAUART-JTQLQIEISA-N 0 1 299.235 0.784 20 5 CCBDMN Cc1noc(C)c1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030291970 815961083 /nfs/dbraw/zinc/96/10/83/815961083.db2.gz PGSPPXQPHAVVHX-ZYHUDNBSSA-N 0 1 294.311 0.257 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CN2CCC1CC2 ZINC001120691077 816189777 /nfs/dbraw/zinc/18/97/77/816189777.db2.gz NIEXLLYHEUKCFJ-JTQLQIEISA-N 0 1 279.300 0.002 20 5 CCBDMN CN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC001168537259 817952140 /nfs/dbraw/zinc/95/21/40/817952140.db2.gz HQQHEZUCLNQRNP-NSHDSACASA-N 0 1 295.295 0.049 20 5 CCBDMN CCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079169529 820314479 /nfs/dbraw/zinc/31/44/79/820314479.db2.gz URLQXVULVXDGLR-NXEZZACHSA-N 0 1 269.301 0.121 20 5 CCBDMN CCN(C(=O)C(C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079322773 820345482 /nfs/dbraw/zinc/34/54/82/820345482.db2.gz WVLMQOOHBVSRQB-GHMZBOCLSA-N 0 1 283.328 0.367 20 5 CCBDMN COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1nnnc1CN ZINC001168922711 836056017 /nfs/dbraw/zinc/05/60/17/836056017.db2.gz AHBFBWHAXUBEPF-UHFFFAOYSA-N 0 1 292.255 0.124 20 5 CCBDMN NCc1nnnn1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001168924057 836056595 /nfs/dbraw/zinc/05/65/95/836056595.db2.gz FOGSQHVELNVVLW-UHFFFAOYSA-N 0 1 278.257 0.034 20 5 CCBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2CC(N3CC(F)C3)C2)C1 ZINC001169005984 836095532 /nfs/dbraw/zinc/09/55/32/836095532.db2.gz DUTREZXBLLYCQD-ONGXEEELSA-N 0 1 257.309 0.770 20 5 CCBDMN CCOC(=O)[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169012713 836098960 /nfs/dbraw/zinc/09/89/60/836098960.db2.gz RYPUNPJUMKHKHF-GRYCIOLGSA-N 0 1 298.339 0.886 20 5 CCBDMN CCOC(=O)[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169012717 836099018 /nfs/dbraw/zinc/09/90/18/836099018.db2.gz RYPUNPJUMKHKHF-QJPTWQEYSA-N 0 1 298.339 0.886 20 5 CCBDMN CS(=O)(=O)C1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169033632 836108581 /nfs/dbraw/zinc/10/85/81/836108581.db2.gz CQWBNYZMSFEJTJ-GHMZBOCLSA-N 0 1 290.385 0.941 20 5 CCBDMN Cn1cc(CN2CC[C@](C)(C(N)=O)C2)c([N+](=O)[O-])n1 ZINC001169699004 836425204 /nfs/dbraw/zinc/42/52/04/836425204.db2.gz WBTYWWKWSVCZIB-NSHDSACASA-N 0 1 267.289 0.026 20 5 CCBDMN COC(=O)c1ncc([N+](=O)[O-])cc1NC[C@H]1COCCN1 ZINC001170046683 836786857 /nfs/dbraw/zinc/78/68/57/836786857.db2.gz GCBHPOOLAXNRRQ-QMMMGPOBSA-N 0 1 296.283 0.177 20 5 CCBDMN CCOc1cnc(N[C@@](N)(CC)CO)c([N+](=O)[O-])c1 ZINC001170860025 839453881 /nfs/dbraw/zinc/45/38/81/839453881.db2.gz RWPJDHZCYPCGGA-NSHDSACASA-N 0 1 270.289 0.858 20 5 CCBDMN CC[C@](N)(CO)Nc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001159744288 839565630 /nfs/dbraw/zinc/56/56/30/839565630.db2.gz PLFIVWRXLZKYBM-URWSZGRFSA-N 0 1 295.343 0.991 20 5 CCBDMN CCN1CC(OC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001093536752 841319802 /nfs/dbraw/zinc/31/98/02/841319802.db2.gz OWJRROYQDWNEMW-CHWSQXEVSA-N 0 1 297.355 0.363 20 5 CCBDMN COc1ccc(Nc2nccnc2CN)nc1[N+](=O)[O-] ZINC001171441479 841617980 /nfs/dbraw/zinc/61/79/80/841617980.db2.gz SBNFACPRCLRNCF-UHFFFAOYSA-N 0 1 276.256 0.991 20 5 CCBDMN COc1ccc([N+](=O)[O-])nc1Nc1nccnc1CN ZINC001171450126 841695456 /nfs/dbraw/zinc/69/54/56/841695456.db2.gz OEWZGIUPNMOVQU-UHFFFAOYSA-N 0 1 276.256 0.991 20 5 CCBDMN O=C(NCC[C@@H](O)C1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001174729803 842204362 /nfs/dbraw/zinc/20/43/62/842204362.db2.gz YIANGBJFPPZEMV-SNVBAGLBSA-N 0 1 282.300 0.989 20 5 CCBDMN Cc1n[nH]c(C2CN(c3c([N+](=O)[O-])c(C)nn3C)C2)n1 ZINC001187615278 844739345 /nfs/dbraw/zinc/73/93/45/844739345.db2.gz JOIRGYCRLNSEPE-UHFFFAOYSA-N 0 1 277.288 0.667 20 5 CCBDMN Cc1nc(C2CN(c3c([N+](=O)[O-])c(C)nn3C)C2)n[nH]1 ZINC001187615278 844739348 /nfs/dbraw/zinc/73/93/48/844739348.db2.gz JOIRGYCRLNSEPE-UHFFFAOYSA-N 0 1 277.288 0.667 20 5 CCBDMN Cc1ncc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])o1 ZINC001191210998 845606727 /nfs/dbraw/zinc/60/67/27/845606727.db2.gz HBCGZUMEJRLAHQ-UHFFFAOYSA-N 0 1 298.280 0.765 20 5 CCBDMN CC(C)(O)[C@@H](O)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196909847 846818586 /nfs/dbraw/zinc/81/85/86/846818586.db2.gz WRPWWUPMOMKJOH-JSGCOSHPSA-N 0 1 298.339 0.524 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCc2nc[nH]c2C1 ZINC001324618176 912943164 /nfs/dbraw/zinc/94/31/64/912943164.db2.gz MEAZRYGUBDWOON-UHFFFAOYSA-N 0 1 276.256 0.099 20 5 CCBDMN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2nnc[nH]2)n1 ZINC001292149108 906192470 /nfs/dbraw/zinc/19/24/70/906192470.db2.gz QHNMKOTZBJZCQU-UHFFFAOYSA-N 0 1 262.229 0.346 20 5 CCBDMN C/C=C(\C)C(=O)NCCN(CCC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296491231 906926414 /nfs/dbraw/zinc/92/64/14/906926414.db2.gz HSWGPSGHIJBVNQ-VDUSXYPOSA-N 0 1 297.355 0.973 20 5 CCBDMN NS(=O)(=O)C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001308128088 908386733 /nfs/dbraw/zinc/38/67/33/908386733.db2.gz LEJNOVRZPDAETQ-SNVBAGLBSA-N 0 1 299.352 0.705 20 5 CCBDMN O=C(N[C@H]1CN2CCC1CC2)c1ccc([N+](=O)[O-])[nH]1 ZINC001339140841 921661836 /nfs/dbraw/zinc/66/18/36/921661836.db2.gz KCLJTSDGTIAOIS-JTQLQIEISA-N 0 1 264.285 0.747 20 5 CCBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H](N2CCC2)C1 ZINC001339678150 921795537 /nfs/dbraw/zinc/79/55/37/921795537.db2.gz KYRVLBSOKGAKLM-QMMMGPOBSA-N 0 1 265.273 0.238 20 5 CCBDMN CCOC(=O)c1[nH]ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001331384685 917294207 /nfs/dbraw/zinc/29/42/07/917294207.db2.gz BZOXPNMWYFJOBC-HTRCEHHLSA-N 0 1 267.241 0.795 20 5 CCBDMN Cn1cc(CN2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])n1 ZINC001331757212 917578362 /nfs/dbraw/zinc/57/83/62/917578362.db2.gz LYPRFCVZOKXGMY-LBPRGKRZSA-N 0 1 266.301 0.675 20 5 CCBDMN CN1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1=O ZINC001344809112 923692032 /nfs/dbraw/zinc/69/20/32/923692032.db2.gz QYYIETJKJMKZHW-SSDOTTSWSA-N 0 1 267.241 0.701 20 5 CCBDMN COC[C@@H]1CNCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC001345656419 923941934 /nfs/dbraw/zinc/94/19/34/923941934.db2.gz NBCRJHDRGWIFBW-VIFPVBQESA-N 0 1 285.325 0.717 20 5 CCBDMN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CC=CC1 ZINC001444508138 929886498 /nfs/dbraw/zinc/88/64/98/929886498.db2.gz QAXAIJZTUMNUCX-UHFFFAOYSA-N 0 1 276.296 0.779 20 5 CCBDMN C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@]1(C)C(=O)[O-] ZINC001599930359 985302625 /nfs/dbraw/zinc/30/26/25/985302625.db2.gz RZOZDSXBTHSFGM-UFBFGSQYSA-N 0 1 282.300 0.871 20 5 CCBDMN CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC001599123318 997784541 /nfs/dbraw/zinc/78/45/41/997784541.db2.gz JVQMFSYBYGCKBL-ZJUUUORDSA-N 0 1 298.299 0.392 20 5 CCBDMN CN(C)c1cccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000124426863 187137048 /nfs/dbraw/zinc/13/70/48/187137048.db2.gz VFTXKFMHLJJIHM-UHFFFAOYSA-N 0 1 290.283 0.709 20 5 CCBDMN NC(=O)NC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000093051034 349522177 /nfs/dbraw/zinc/52/21/77/349522177.db2.gz PFRUZGFIIHPWCF-UHFFFAOYSA-N 0 1 294.311 0.933 20 5 CCBDMN NC(=O)NC1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093051034 349522182 /nfs/dbraw/zinc/52/21/82/349522182.db2.gz PFRUZGFIIHPWCF-UHFFFAOYSA-N 0 1 294.311 0.933 20 5 CCBDMN O=C(N[C@H]1COCCC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600388431 361939456 /nfs/dbraw/zinc/93/94/56/361939456.db2.gz IAFCBEAJPLXVDF-JTQLQIEISA-N 0 1 280.236 0.388 20 5 CCBDMN O=C(N[C@@H]1COCCC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600388432 361939651 /nfs/dbraw/zinc/93/96/51/361939651.db2.gz IAFCBEAJPLXVDF-SNVBAGLBSA-N 0 1 280.236 0.388 20 5 CCBDMN C[C@H](C[S@@](C)=O)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000126218374 187225115 /nfs/dbraw/zinc/22/51/15/187225115.db2.gz RCOOLAZSZUMTET-LZVRBXCZSA-N 0 1 274.346 0.490 20 5 CCBDMN O=C(NCCN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000600808684 362065926 /nfs/dbraw/zinc/06/59/26/362065926.db2.gz PAJJXHFCHMVYPN-LBPRGKRZSA-N 0 1 279.296 0.391 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@H](O)C1 ZINC000600808714 362066173 /nfs/dbraw/zinc/06/61/73/362066173.db2.gz PYDUELIBDKDVOG-NSHDSACASA-N 0 1 294.311 0.095 20 5 CCBDMN O=C([O-])c1cnc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000162379770 290739583 /nfs/dbraw/zinc/73/95/83/290739583.db2.gz YIJVMQBQXXPEDV-UHFFFAOYSA-N 0 1 292.295 0.972 20 5 CCBDMN C[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CNCCO1 ZINC000602433958 362614294 /nfs/dbraw/zinc/61/42/94/362614294.db2.gz UZPZDNYACUWGKI-GFCCVEGCSA-N 0 1 265.269 0.912 20 5 CCBDMN Cc1sc(C(=O)NC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000602549898 362673424 /nfs/dbraw/zinc/67/34/24/362673424.db2.gz FJBBBIHXYOSJEM-QMMMGPOBSA-N 0 1 285.325 0.683 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCN2CCOC[C@@H]2C1 ZINC000602811028 362812388 /nfs/dbraw/zinc/81/23/88/362812388.db2.gz WGJYIQIXODCPJI-LBPRGKRZSA-N 0 1 295.343 0.116 20 5 CCBDMN C[C@@H]1OCC[C@@]1(C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602824109 362820214 /nfs/dbraw/zinc/82/02/14/362820214.db2.gz WQGOBBQTWMCSPK-GZMMTYOYSA-N 0 1 254.290 0.985 20 5 CCBDMN O=C(N[C@H](CO)[C@@H]1CCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000344849279 137217162 /nfs/dbraw/zinc/21/71/62/137217162.db2.gz IBQRGTVEXNVKEZ-NEPJUHHUSA-N 0 1 296.279 0.570 20 5 CCBDMN Cc1cnc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])nc1 ZINC000345072535 137231893 /nfs/dbraw/zinc/23/18/93/137231893.db2.gz WYDJZPKPXUIMEL-UHFFFAOYSA-N 0 1 276.256 0.389 20 5 CCBDMN O=C(NC1(c2nn[nH]n2)CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000346337697 137279940 /nfs/dbraw/zinc/27/99/40/137279940.db2.gz AFDOQCHFIPMVFU-UHFFFAOYSA-N 0 1 291.271 0.635 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CC1CN(C)C1 ZINC000602961031 362909568 /nfs/dbraw/zinc/90/95/68/362909568.db2.gz SHXJKFGFZOTAJH-UHFFFAOYSA-N 0 1 293.327 0.745 20 5 CCBDMN Cc1c(NC(=O)CCN(C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000047628442 348382916 /nfs/dbraw/zinc/38/29/16/348382916.db2.gz IXOLTTDEKOAMHD-UHFFFAOYSA-N 0 1 294.311 0.649 20 5 CCBDMN COc1cc([N+](=O)[O-])ccc1CN1[C@H](CO)CC[C@H]1CO ZINC000347284591 137328847 /nfs/dbraw/zinc/32/88/47/137328847.db2.gz YWLMMZICKMXRTG-STQMWFEESA-N 0 1 296.323 0.921 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)N1 ZINC000070075774 348871439 /nfs/dbraw/zinc/87/14/39/348871439.db2.gz CZLFRGCOPNSVDG-OCAPTIKFSA-N 0 1 252.274 0.745 20 5 CCBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCOCCO)C2)nc1 ZINC000072665229 348926918 /nfs/dbraw/zinc/92/69/18/348926918.db2.gz HLLKPZRERSXQFW-NSHDSACASA-N 0 1 296.327 0.485 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCN1 ZINC000088059083 349354646 /nfs/dbraw/zinc/35/46/46/349354646.db2.gz YLYKRNRUOAFUHE-QMMMGPOBSA-N 0 1 252.274 0.367 20 5 CCBDMN O=C(NC[C@@H](O)C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000132208782 350300450 /nfs/dbraw/zinc/30/04/50/350300450.db2.gz PGSDHBZKDKTNER-SNVBAGLBSA-N 0 1 282.300 0.989 20 5 CCBDMN COC[C@@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000167860998 350815444 /nfs/dbraw/zinc/81/54/44/350815444.db2.gz KGZWUPULWVVRNC-SNVBAGLBSA-N 0 1 267.285 0.527 20 5 CCBDMN CC(C)(C)OC(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000164050050 350775811 /nfs/dbraw/zinc/77/58/11/350775811.db2.gz CGMBJXXQPTZVFA-UHFFFAOYSA-N 0 1 284.272 0.780 20 5 CCBDMN CC[N@H+]1CCC[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000179645447 351274591 /nfs/dbraw/zinc/27/45/91/351274591.db2.gz LKLJCJZYWQOGBF-SECBINFHSA-N 0 1 281.316 0.542 20 5 CCBDMN CCN1CCC[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000179645447 351274594 /nfs/dbraw/zinc/27/45/94/351274594.db2.gz LKLJCJZYWQOGBF-SECBINFHSA-N 0 1 281.316 0.542 20 5 CCBDMN C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000187674200 351552392 /nfs/dbraw/zinc/55/23/92/351552392.db2.gz KQFJDHCNDWDJPZ-YFKPBYRVSA-N 0 1 278.228 0.305 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCNC(=O)[C@H]2CC)c1[N+](=O)[O-] ZINC000192535455 351790099 /nfs/dbraw/zinc/79/00/99/351790099.db2.gz XVPCSFOYULUPGN-MRVPVSSYSA-N 0 1 295.299 0.231 20 5 CCBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1C[NH2+]C1 ZINC000237851648 352285829 /nfs/dbraw/zinc/28/58/29/352285829.db2.gz PZDDMQHAHFEYSQ-UHFFFAOYSA-N 0 1 291.716 0.498 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOC[C@H]2C2CC2)c1 ZINC000245898228 352340378 /nfs/dbraw/zinc/34/03/78/352340378.db2.gz PPPNLPCHEDXLNN-OLZOCXBDSA-N 0 1 296.327 0.263 20 5 CCBDMN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)CO ZINC000292136484 198177085 /nfs/dbraw/zinc/17/70/85/198177085.db2.gz JEGIJKXGPWXACM-SECBINFHSA-N 0 1 281.312 0.896 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000270352311 352923762 /nfs/dbraw/zinc/92/37/62/352923762.db2.gz GPLDMDGMNIVLCK-MRVPVSSYSA-N 0 1 282.300 0.725 20 5 CCBDMN C[C@](O)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC000270840699 352993811 /nfs/dbraw/zinc/99/38/11/352993811.db2.gz VDGMCJWBAMFKSZ-NSHDSACASA-N 0 1 280.240 0.548 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(CC)CC(=O)OC)c1[N+](=O)[O-] ZINC000271028965 353016222 /nfs/dbraw/zinc/01/62/22/353016222.db2.gz LJWLBLJQNTVCCA-UHFFFAOYSA-N 0 1 298.299 0.906 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC)CCOC)c1[N+](=O)[O-] ZINC000271073155 353019407 /nfs/dbraw/zinc/01/94/07/353019407.db2.gz XYSGKARJMILSAQ-UHFFFAOYSA-N 0 1 270.289 0.989 20 5 CCBDMN CCCN1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273641670 353113197 /nfs/dbraw/zinc/11/31/97/353113197.db2.gz SENMLWARMSVNNI-UHFFFAOYSA-N 0 1 251.290 0.917 20 5 CCBDMN COC(=O)[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272655969 353082737 /nfs/dbraw/zinc/08/27/37/353082737.db2.gz GEGLRAQPYZDBQJ-ZCFIWIBFSA-N 0 1 268.225 0.592 20 5 CCBDMN Cc1n[nH]c(C(=O)N[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000604547317 363203092 /nfs/dbraw/zinc/20/30/92/363203092.db2.gz FBIOJQDQDSMKHN-QMMMGPOBSA-N 0 1 279.300 0.593 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2C(=O)NC)c1[N+](=O)[O-] ZINC000277989884 353276902 /nfs/dbraw/zinc/27/69/02/353276902.db2.gz OGTVVSUGLFQQBQ-MRVPVSSYSA-N 0 1 295.299 0.231 20 5 CCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1CC=CCC1 ZINC000279766373 353314443 /nfs/dbraw/zinc/31/44/43/353314443.db2.gz BAMLCUINJOEZEC-UHFFFAOYSA-N 0 1 293.327 0.560 20 5 CCBDMN CN(CCOCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000282449396 353425101 /nfs/dbraw/zinc/42/51/01/353425101.db2.gz KCHBJTRXKFZGEL-CYBMUJFWSA-N 0 1 284.312 0.569 20 5 CCBDMN O=C(NCCOC(=O)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000283710793 353524969 /nfs/dbraw/zinc/52/49/69/353524969.db2.gz MGNHBMHEGGIICQ-UHFFFAOYSA-N 0 1 268.229 0.001 20 5 CCBDMN COCCCN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299540623 354025901 /nfs/dbraw/zinc/02/59/01/354025901.db2.gz HGBWCGZJHBYVBG-UHFFFAOYSA-N 0 1 256.262 0.735 20 5 CCBDMN Nc1nc(N2CCN3CCC2CC3)ncc1[N+](=O)[O-] ZINC000302791490 354088361 /nfs/dbraw/zinc/08/83/61/354088361.db2.gz YLYHRXNJDMNXCL-UHFFFAOYSA-N 0 1 264.289 0.251 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2ncon2)c1[N+](=O)[O-] ZINC000557001988 291019891 /nfs/dbraw/zinc/01/98/91/291019891.db2.gz JDUXTCYHSXVCTM-SSDOTTSWSA-N 0 1 292.255 0.987 20 5 CCBDMN CO[C@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)N(C)C1 ZINC000330508636 354386057 /nfs/dbraw/zinc/38/60/57/354386057.db2.gz AOZQHUAVGRYYMP-QWRGUYRKSA-N 0 1 296.327 0.714 20 5 CCBDMN CN1CC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C2 ZINC000619251953 366224160 /nfs/dbraw/zinc/22/41/60/366224160.db2.gz VXHZGXBIVGBSCW-UHFFFAOYSA-N 0 1 264.285 0.701 20 5 CCBDMN COC[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423833842 235093791 /nfs/dbraw/zinc/09/37/91/235093791.db2.gz BVYCATGQLXSUMM-SNVBAGLBSA-N 0 1 287.703 0.838 20 5 CCBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCN(C)C1=O ZINC000338999774 355468725 /nfs/dbraw/zinc/46/87/25/355468725.db2.gz HXCDBDBBNDHZMH-LBPRGKRZSA-N 0 1 279.296 0.963 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccncc2O)n1 ZINC000427720675 235377075 /nfs/dbraw/zinc/37/70/75/235377075.db2.gz UXTWGJQURJFHME-UHFFFAOYSA-N 0 1 277.240 0.586 20 5 CCBDMN COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352591087 356024351 /nfs/dbraw/zinc/02/43/51/356024351.db2.gz SARSLMCCLWQCPN-SECBINFHSA-N 0 1 297.315 0.159 20 5 CCBDMN COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000352591087 356024353 /nfs/dbraw/zinc/02/43/53/356024353.db2.gz SARSLMCCLWQCPN-SECBINFHSA-N 0 1 297.315 0.159 20 5 CCBDMN COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000352591087 356024358 /nfs/dbraw/zinc/02/43/58/356024358.db2.gz SARSLMCCLWQCPN-SECBINFHSA-N 0 1 297.315 0.159 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2C[C@H](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000360829004 138012585 /nfs/dbraw/zinc/01/25/85/138012585.db2.gz AMPNPFXOXPVYAA-DTWKUNHWSA-N 0 1 296.327 0.971 20 5 CCBDMN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000362875455 138078407 /nfs/dbraw/zinc/07/84/07/138078407.db2.gz ZIRFUKKVTAYBCV-WISYIIOYSA-N 0 1 262.265 0.426 20 5 CCBDMN CN1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000619444504 366255642 /nfs/dbraw/zinc/25/56/42/366255642.db2.gz AAODETPMSQEREW-SECBINFHSA-N 0 1 293.279 0.651 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000609533148 363502882 /nfs/dbraw/zinc/50/28/82/363502882.db2.gz YKAYMJXYCSJIOF-UHFFFAOYSA-N 0 1 287.239 0.519 20 5 CCBDMN Cc1cc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)n[nH]1 ZINC000609595788 363508239 /nfs/dbraw/zinc/50/82/39/363508239.db2.gz LDDJBLVROKSJAN-UHFFFAOYSA-N 0 1 276.256 0.732 20 5 CCBDMN CCc1[nH]nc(C(=O)Nc2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000355820554 356655008 /nfs/dbraw/zinc/65/50/08/356655008.db2.gz XGWCTWYMAGNSJW-UHFFFAOYSA-N 0 1 265.233 0.559 20 5 CCBDMN O=C(NC[C@H]1CN2CCN1CCC2)c1cc([N+](=O)[O-])c[nH]1 ZINC000619874031 366367953 /nfs/dbraw/zinc/36/79/53/366367953.db2.gz WRGQJMMHVVHSTN-NSHDSACASA-N 0 1 293.327 0.043 20 5 CCBDMN COc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH]nn2)c1 ZINC000610488611 363566148 /nfs/dbraw/zinc/56/61/48/363566148.db2.gz PMSWJBJFWNDLLS-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN Cn1nnnc1-c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000377424548 357574143 /nfs/dbraw/zinc/57/41/43/357574143.db2.gz FNAPSQRRMGHDEX-NXEZZACHSA-N 0 1 288.267 0.481 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2C[C@H](O)C[C@H](O)C2)c1 ZINC000610604474 363583906 /nfs/dbraw/zinc/58/39/06/363583906.db2.gz UPVFODBKBVWOON-TXEJJXNPSA-N 0 1 282.296 0.401 20 5 CCBDMN CCOC(=O)c1ccnc(NCc2c[nH]nn2)c1[N+](=O)[O-] ZINC000610663304 363592149 /nfs/dbraw/zinc/59/21/49/363592149.db2.gz LAVDXCGLTMCHIT-UHFFFAOYSA-N 0 1 292.255 0.897 20 5 CCBDMN CCn1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000565594144 358563082 /nfs/dbraw/zinc/56/30/82/358563082.db2.gz JOSBRELSUJXKQB-GFCCVEGCSA-N 0 1 294.315 0.158 20 5 CCBDMN COC[C@](C)(CO)[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000610786980 363614944 /nfs/dbraw/zinc/61/49/44/363614944.db2.gz WWXYLRMCQREJMC-LBPRGKRZSA-N 0 1 270.285 0.787 20 5 CCBDMN Nc1ccc(NCCCCN2CCOCC2)nc1[N+](=O)[O-] ZINC000590572143 359488036 /nfs/dbraw/zinc/48/80/36/359488036.db2.gz LZYCHPRRJITSAA-UHFFFAOYSA-N 0 1 295.343 0.518 20 5 CCBDMN CC[C@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000296917995 200034326 /nfs/dbraw/zinc/03/43/26/200034326.db2.gz LLNDOANAOYWHAS-VIFPVBQESA-N 0 1 281.316 0.874 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000591784724 359658680 /nfs/dbraw/zinc/65/86/80/359658680.db2.gz JGWDRMJXDTUZBG-BBIVZNJYSA-N 0 1 282.178 0.359 20 5 CCBDMN C[C@H](C[C@H]1CCOC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000611212569 363683647 /nfs/dbraw/zinc/68/36/47/363683647.db2.gz QTRXQVSQCLTJFD-HTQZYQBOSA-N 0 1 268.273 0.863 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN(C)C1 ZINC000611235266 363689738 /nfs/dbraw/zinc/68/97/38/363689738.db2.gz PVKSUIROEPFEMC-QMMMGPOBSA-N 0 1 267.289 0.152 20 5 CCBDMN CCCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592828152 359946673 /nfs/dbraw/zinc/94/66/73/359946673.db2.gz DMDHAFBKJFONTI-SECBINFHSA-N 0 1 281.316 0.874 20 5 CCBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000593187300 360051728 /nfs/dbraw/zinc/05/17/28/360051728.db2.gz IYMNGKTUWDXJCW-GMTAPVOTSA-N 0 1 295.343 0.731 20 5 CCBDMN COCCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594745033 360373170 /nfs/dbraw/zinc/37/31/70/360373170.db2.gz RUSCGGOMXDDBEX-UHFFFAOYSA-N 0 1 275.286 0.305 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC1CCOCC1 ZINC000594755982 360376833 /nfs/dbraw/zinc/37/68/33/360376833.db2.gz SCCMJRMWOSMBSW-UHFFFAOYSA-N 0 1 287.297 0.447 20 5 CCBDMN CC[C@@](C)(O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594763081 360378010 /nfs/dbraw/zinc/37/80/10/360378010.db2.gz UZUTVQWUXASMIS-SNVBAGLBSA-N 0 1 289.313 0.429 20 5 CCBDMN CO[C@H](C)[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594775744 360380659 /nfs/dbraw/zinc/38/06/59/360380659.db2.gz HSILJEUGNCLSEI-HTQZYQBOSA-N 0 1 289.313 0.692 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1NCc1n[nH]c(COC)n1 ZINC000596437400 360896406 /nfs/dbraw/zinc/89/64/06/360896406.db2.gz XLUCKDTYPMCJGG-UHFFFAOYSA-N 0 1 295.303 0.996 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1NCc1nnc(COC)[nH]1 ZINC000596437400 360896410 /nfs/dbraw/zinc/89/64/10/360896410.db2.gz XLUCKDTYPMCJGG-UHFFFAOYSA-N 0 1 295.303 0.996 20 5 CCBDMN O=C(NC[C@H]1CN2CCN1CCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000597624137 361166767 /nfs/dbraw/zinc/16/67/67/361166767.db2.gz HAQSZMQYAIEOIV-JTQLQIEISA-N 0 1 293.327 0.043 20 5 CCBDMN Cc1ccc([C@@H](C)NCC(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000181835746 189308148 /nfs/dbraw/zinc/30/81/48/189308148.db2.gz FABRXMLSGJNMKG-MRVPVSSYSA-N 0 1 280.284 0.749 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@]3(C)C2)c1[N+](=O)[O-] ZINC000598228399 361358684 /nfs/dbraw/zinc/35/86/84/361358684.db2.gz HVVLTMJWURISDZ-OQPBUACISA-N 0 1 294.311 0.989 20 5 CCBDMN CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000183995178 189373505 /nfs/dbraw/zinc/37/35/05/189373505.db2.gz ZUSRSCIBPUYWOK-UHFFFAOYSA-N 0 1 297.311 0.344 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000598744696 361506394 /nfs/dbraw/zinc/50/63/94/361506394.db2.gz IUGHFSSHTFRWSY-UHFFFAOYSA-N 0 1 281.228 0.294 20 5 CCBDMN CO[C@H](C)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599309135 361647022 /nfs/dbraw/zinc/64/70/22/361647022.db2.gz FLAHEHPXJSWXHI-RNFRBKRXSA-N 0 1 292.317 0.030 20 5 CCBDMN O=[N+]([O-])c1cccc2ncnc(NCc3nn[nH]n3)c21 ZINC000612444161 363922687 /nfs/dbraw/zinc/92/26/87/363922687.db2.gz HVYUVKVTOWNBCW-UHFFFAOYSA-N 0 1 272.228 0.085 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H]3OCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000565029395 291337323 /nfs/dbraw/zinc/33/73/23/291337323.db2.gz XDGKZJGVPXKFJD-BDAKNGLRSA-N 0 1 280.284 0.877 20 5 CCBDMN C[C@@H](Cc1cnc[nH]1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000565180839 291353330 /nfs/dbraw/zinc/35/33/30/291353330.db2.gz FDXLOIPAXHUNHX-VIFPVBQESA-N 0 1 292.299 0.509 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000567164497 291463199 /nfs/dbraw/zinc/46/31/99/291463199.db2.gz KKYPFGYGLBEEHT-DTORHVGOSA-N 0 1 292.295 0.662 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOCC2(C)C)c1[N+](=O)[O-] ZINC000264295187 190102231 /nfs/dbraw/zinc/10/22/31/190102231.db2.gz XTENNXBUAQINOM-UHFFFAOYSA-N 0 1 268.273 0.877 20 5 CCBDMN Cc1ccc(CN2C[C@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000459692666 249053792 /nfs/dbraw/zinc/05/37/92/249053792.db2.gz FFZAYKYFVOPDEE-YPMHNXCESA-N 0 1 266.297 0.688 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](CO)[C@H](O)C1 ZINC000459712883 249056134 /nfs/dbraw/zinc/05/61/34/249056134.db2.gz RWSIBMGMOXEFRY-DGCLKSJQSA-N 0 1 266.297 0.688 20 5 CCBDMN O=[N+]([O-])c1cccc(CN(CCO)CCOCCO)c1 ZINC000459797437 249062663 /nfs/dbraw/zinc/06/26/63/249062663.db2.gz SDJLJXRVZAAOJO-UHFFFAOYSA-N 0 1 284.312 0.398 20 5 CCBDMN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1nn[nH]n1 ZINC000268148994 190381078 /nfs/dbraw/zinc/38/10/78/190381078.db2.gz FRLDIFYGCSZOLC-ZCFIWIBFSA-N 0 1 279.260 0.707 20 5 CCBDMN C/C=C/C[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000187184565 388870669 /nfs/dbraw/zinc/87/06/69/388870669.db2.gz RAUOGVSMBYWOML-TYWZFMJISA-N 0 1 254.246 0.375 20 5 CCBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc([N+](=O)[O-])n[nH]1 ZINC000286792405 388846440 /nfs/dbraw/zinc/84/64/40/388846440.db2.gz PXCDIYMDOPRMTF-SSDOTTSWSA-N 0 1 276.256 0.848 20 5 CCBDMN CCOC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000047270092 388878638 /nfs/dbraw/zinc/87/86/38/388878638.db2.gz IVCXBWQZHRSKKS-NXEZZACHSA-N 0 1 285.300 0.389 20 5 CCBDMN CN(C)c1cccnc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000290565068 388907175 /nfs/dbraw/zinc/90/71/75/388907175.db2.gz NUUBTBOGCFDVMI-UHFFFAOYSA-N 0 1 290.283 0.709 20 5 CCBDMN Cc1cnc(N2CCCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000090692781 389022099 /nfs/dbraw/zinc/02/20/99/389022099.db2.gz RZXZZCUNJSZXAX-UHFFFAOYSA-N 0 1 280.328 0.803 20 5 CCBDMN O=C(C[C@@H]1COCCN1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000130418592 389205649 /nfs/dbraw/zinc/20/56/49/389205649.db2.gz UUJWDUDYDDSAAT-GFCCVEGCSA-N 0 1 293.323 0.632 20 5 CCBDMN O=C([C@H]1CNCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000238009467 389197856 /nfs/dbraw/zinc/19/78/56/389197856.db2.gz HALRSYYWQGXLEX-CYBMUJFWSA-N 0 1 291.307 0.468 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCNC2=O)c1[N+](=O)[O-] ZINC000340452907 389159808 /nfs/dbraw/zinc/15/98/08/389159808.db2.gz WDXXBUUKDXKDBM-SSDOTTSWSA-N 0 1 295.299 0.402 20 5 CCBDMN CC[C@H](C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)[O-] ZINC000236971344 389179104 /nfs/dbraw/zinc/17/91/04/389179104.db2.gz JABBMCBZPZIDMJ-VIFPVBQESA-N 0 1 270.289 0.976 20 5 CCBDMN COCCN(CCOC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159707256 389371499 /nfs/dbraw/zinc/37/14/99/389371499.db2.gz OSCFYFDTGIHOHJ-UHFFFAOYSA-N 0 1 299.327 0.351 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000159763501 389372862 /nfs/dbraw/zinc/37/28/62/389372862.db2.gz VYNUBIMQFPJWHA-HTRCEHHLSA-N 0 1 254.246 0.615 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268939354 389396591 /nfs/dbraw/zinc/39/65/91/389396591.db2.gz GPXCJHQMJWODJW-SNVBAGLBSA-N 0 1 290.283 0.708 20 5 CCBDMN O=C(NC[C@@]1(O)CCSC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269199517 389406907 /nfs/dbraw/zinc/40/69/07/389406907.db2.gz QUZOQDNEKBIYGF-LBPRGKRZSA-N 0 1 298.320 0.898 20 5 CCBDMN CC1(C)C(=O)NCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269273208 389412154 /nfs/dbraw/zinc/41/21/54/389412154.db2.gz HGQNCIXTGBMBJI-UHFFFAOYSA-N 0 1 293.279 0.651 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](OCc2ccncc2)C1 ZINC000371022893 389425341 /nfs/dbraw/zinc/42/53/41/389425341.db2.gz OYFKTPNYWVIDNW-JHJVBQTASA-N 0 1 291.307 0.864 20 5 CCBDMN O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000374918079 389620827 /nfs/dbraw/zinc/62/08/27/389620827.db2.gz VROBMCRUHIYELF-HTQZYQBOSA-N 0 1 293.283 0.201 20 5 CCBDMN O=C(NC1CCC(CO)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000181070372 389680501 /nfs/dbraw/zinc/68/05/01/389680501.db2.gz QNJHZMDYIGWLMT-UHFFFAOYSA-N 0 1 268.273 0.599 20 5 CCBDMN C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000420168289 389962339 /nfs/dbraw/zinc/96/23/39/389962339.db2.gz KALMUXHRKGMLQB-UHFFFAOYSA-N 0 1 280.284 0.519 20 5 CCBDMN Nc1nccc(C(=O)N2CCN3CCC2CC3)c1[N+](=O)[O-] ZINC000582250639 390275418 /nfs/dbraw/zinc/27/54/18/390275418.db2.gz XVLLJRILKJTJGB-UHFFFAOYSA-N 0 1 291.311 0.323 20 5 CCBDMN COC(=O)CC1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000577958897 390855757 /nfs/dbraw/zinc/85/57/57/390855757.db2.gz HMHHQOZMDRNGHX-UHFFFAOYSA-N 0 1 268.229 0.143 20 5 CCBDMN C[C@H](C(=O)N(C)C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366748667 130032785 /nfs/dbraw/zinc/03/27/85/130032785.db2.gz YBFUUQMQJQKMRU-SNVBAGLBSA-N 0 1 295.343 0.905 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000356596241 144017298 /nfs/dbraw/zinc/01/72/98/144017298.db2.gz NDHFWBAKYZAZHP-FHZGZLOMSA-N 0 1 298.320 0.893 20 5 CCBDMN COCCOC1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356630813 144020941 /nfs/dbraw/zinc/02/09/41/144020941.db2.gz OLMBJABTEDVRMA-UHFFFAOYSA-N 0 1 296.279 0.788 20 5 CCBDMN O=C(NC[C@H]1CC[C@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000356629698 144021101 /nfs/dbraw/zinc/02/11/01/144021101.db2.gz VVGYMNASKBDBMU-BQBZGAKWSA-N 0 1 254.246 0.209 20 5 CCBDMN COC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)OC ZINC000356776969 144032350 /nfs/dbraw/zinc/03/23/50/144032350.db2.gz LSRAXCXQNIZYOX-SNVBAGLBSA-N 0 1 298.251 0.218 20 5 CCBDMN O=c1[nH]nc2n1CCN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000358804745 144180387 /nfs/dbraw/zinc/18/03/87/144180387.db2.gz JXPGOSIUFRQUIU-UHFFFAOYSA-N 0 1 289.295 0.950 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000369182438 144257667 /nfs/dbraw/zinc/25/76/67/144257667.db2.gz HGLGNYJKKLWNNM-CBLPJQPBSA-N 0 1 298.339 0.837 20 5 CCBDMN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000372218128 144357860 /nfs/dbraw/zinc/35/78/60/144357860.db2.gz RZPIOTMURJAQSU-LXUNUROVSA-N 0 1 266.297 0.725 20 5 CCBDMN CN(CC(=O)N1CCNCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000038030960 174024080 /nfs/dbraw/zinc/02/40/80/174024080.db2.gz XKFPVAQRCOZVDW-UHFFFAOYSA-N 0 1 292.339 0.458 20 5 CCBDMN Nc1nc(N2CCN(C3CCC3)CC2)ncc1[N+](=O)[O-] ZINC000264969250 274966036 /nfs/dbraw/zinc/96/60/36/274966036.db2.gz OYJMNPJJRSJYLB-UHFFFAOYSA-N 0 1 278.316 0.642 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC(=O)N1 ZINC000296442729 288019447 /nfs/dbraw/zinc/01/94/47/288019447.db2.gz YVLJUXFSIFTEDS-SSDOTTSWSA-N 0 1 279.252 0.261 20 5 CCBDMN [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCC1 ZINC000583083437 329311913 /nfs/dbraw/zinc/31/19/13/329311913.db2.gz RNWBJETVNKCFLO-UHFFFAOYSA-N 0 1 266.257 0.307 20 5 CCBDMN C[C@]1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCC[NH2+]C1 ZINC000576398399 335198858 /nfs/dbraw/zinc/19/88/58/335198858.db2.gz GOACRTJZHGKUDL-ZDUSSCGKSA-N 0 1 294.311 0.815 20 5 CCBDMN Nc1nccc(C(=O)N[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000576594879 335224206 /nfs/dbraw/zinc/22/42/06/335224206.db2.gz CDHNOCYKLCENKN-MRVPVSSYSA-N 0 1 291.311 0.369 20 5 CCBDMN C[C@H]1[C@@H](CO)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000386209498 336168213 /nfs/dbraw/zinc/16/82/13/336168213.db2.gz DDNDRKLSWSZLQU-JOYOIKCWSA-N 0 1 293.323 0.896 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000050469822 525501785 /nfs/dbraw/zinc/50/17/85/525501785.db2.gz ZJUOACUMLOVDMV-UHFFFAOYSA-N 0 1 264.245 0.139 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](CO)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000349053761 536002333 /nfs/dbraw/zinc/00/23/33/536002333.db2.gz OHGDEQISFTVXLZ-JGVFFNPUSA-N 0 1 298.299 0.102 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000362348902 536003234 /nfs/dbraw/zinc/00/32/34/536003234.db2.gz OORJDKHDXOUNHC-YUMQZZPRSA-N 0 1 282.300 0.581 20 5 CCBDMN COc1cc(C(=O)Nc2c[nH]nn2)c([N+](=O)[O-])cc1OC ZINC000789927415 581164274 /nfs/dbraw/zinc/16/42/74/581164274.db2.gz COVIPWZBFJUMSZ-UHFFFAOYSA-N 0 1 293.239 0.982 20 5 CCBDMN CCO[C@H]1C[C@H](O)C12CCN(CC[N+](=O)[O-])CC2 ZINC000791051331 581205739 /nfs/dbraw/zinc/20/57/39/581205739.db2.gz AUYSVYHHVZMXBQ-QWRGUYRKSA-N 0 1 258.318 0.515 20 5 CCBDMN O=C(NC[C@@H]1CCC=CO1)c1n[nH]cc1[N+](=O)[O-] ZINC000781488992 581270113 /nfs/dbraw/zinc/27/01/13/581270113.db2.gz QATKMHZXXCRGAY-ZETCQYMHSA-N 0 1 252.230 0.740 20 5 CCBDMN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NC2CSC2)cc1 ZINC000782155697 581290198 /nfs/dbraw/zinc/29/01/98/581290198.db2.gz UCEZIIYBRISRMV-VXGBXAGGSA-N 0 1 284.337 0.694 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782605425 581313018 /nfs/dbraw/zinc/31/30/18/581313018.db2.gz DSUYEJPDDFPPMY-GXSJLCMTSA-N 0 1 252.274 0.106 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2C[C@H]3C[C@@]3(CO)C2)c1[N+](=O)[O-] ZINC000783820951 581365138 /nfs/dbraw/zinc/36/51/38/581365138.db2.gz QAGGEFXROPXVPT-OQPBUACISA-N 0 1 294.311 0.725 20 5 CCBDMN C[C@H]1CCC[N@@H+]1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770738976 581766044 /nfs/dbraw/zinc/76/60/44/581766044.db2.gz GNLGNXSWAXFDMY-VIFPVBQESA-N 0 1 294.311 0.910 20 5 CCBDMN C[C@H]1CCC[N@H+]1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770738976 581766047 /nfs/dbraw/zinc/76/60/47/581766047.db2.gz GNLGNXSWAXFDMY-VIFPVBQESA-N 0 1 294.311 0.910 20 5 CCBDMN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C ZINC000761070956 581885583 /nfs/dbraw/zinc/88/55/83/581885583.db2.gz BFJYIXFWBUXNDE-SNVBAGLBSA-N 0 1 292.339 0.830 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000748349337 581970310 /nfs/dbraw/zinc/97/03/10/581970310.db2.gz KWURXZULQYIHPC-QMMMGPOBSA-N 0 1 281.316 0.656 20 5 CCBDMN O=C([O-])C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000819380435 597076166 /nfs/dbraw/zinc/07/61/66/597076166.db2.gz MCDQLRLYCYEORP-SNVBAGLBSA-N 0 1 282.300 0.978 20 5 CCBDMN O=C([O-])[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821510620 600679955 /nfs/dbraw/zinc/67/99/55/600679955.db2.gz VSLUDDWOLBBOSD-MNOVXSKESA-N 0 1 298.299 0.091 20 5 CCBDMN O=C([O-])[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821510617 601576269 /nfs/dbraw/zinc/57/62/69/601576269.db2.gz VSLUDDWOLBBOSD-GHMZBOCLSA-N 0 1 298.299 0.091 20 5 CCBDMN O=C([O-])N[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000832365269 603707344 /nfs/dbraw/zinc/70/73/44/603707344.db2.gz IKFHIFHKXPIAND-SECBINFHSA-N 0 1 283.288 0.523 20 5 CCBDMN C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1NC(=O)[O-] ZINC000826056062 603709491 /nfs/dbraw/zinc/70/94/91/603709491.db2.gz ASTSHVBKVMPIAY-UWVGGRQHSA-N 0 1 297.315 0.769 20 5 CCBDMN COc1cc(CNCC[N+](=O)[O-])ccc1OCCO ZINC000899871718 617189131 /nfs/dbraw/zinc/18/91/31/617189131.db2.gz STHCNOODCSFPRS-UHFFFAOYSA-N 0 1 270.285 0.433 20 5 CCBDMN O=C([O-])N[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834189506 606030263 /nfs/dbraw/zinc/03/02/63/606030263.db2.gz MOYYKUBUJVVYLY-ZYHUDNBSSA-N 0 1 295.295 0.970 20 5 CCBDMN CC(C)OC(=O)CSCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842368693 613992953 /nfs/dbraw/zinc/99/29/53/613992953.db2.gz YSSTWPIDVOTLKC-RKDXNWHRSA-N 0 1 291.325 0.880 20 5 CCBDMN CC(C)CNC(=O)C1CCN(CC[N+](=O)[O-])CC1 ZINC000929165462 614134790 /nfs/dbraw/zinc/13/47/90/614134790.db2.gz JJKCTTHVLIXBOU-UHFFFAOYSA-N 0 1 257.334 0.747 20 5 CCBDMN CC(C)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000840673109 614150501 /nfs/dbraw/zinc/15/05/01/614150501.db2.gz QVCFTSAEGSPTND-GMTAPVOTSA-N 0 1 284.312 0.842 20 5 CCBDMN CCC(CC)(CCO)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839703948 614521379 /nfs/dbraw/zinc/52/13/79/614521379.db2.gz LWPUOYORKSSVDR-NXEZZACHSA-N 0 1 258.318 0.957 20 5 CCBDMN CCCC(=O)NC[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000798194330 614889817 /nfs/dbraw/zinc/88/98/17/614889817.db2.gz APABLOGOXGCZSQ-LLVKDONJSA-N 0 1 257.334 0.891 20 5 CCBDMN CCC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OCC ZINC000840673719 615006060 /nfs/dbraw/zinc/00/60/60/615006060.db2.gz ZQSMMRNBHQBWCA-IWSPIJDZSA-N 0 1 259.258 0.927 20 5 CCBDMN CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840449844 615053084 /nfs/dbraw/zinc/05/30/84/615053084.db2.gz JMPNKFZASDLBCI-HBNTYKKESA-N 0 1 283.328 0.559 20 5 CCBDMN CCOC(=O)C1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000842367300 615158020 /nfs/dbraw/zinc/15/80/20/615158020.db2.gz VEWIAGWTTBXUAT-RKDXNWHRSA-N 0 1 271.269 0.928 20 5 CCBDMN CCN1CCN(c2c([N+](=O)[O-])cnn2C)C[C@@H]1C ZINC000892970510 615162711 /nfs/dbraw/zinc/16/27/11/615162711.db2.gz HPOXBMGHNOBJNQ-VIFPVBQESA-N 0 1 253.306 0.859 20 5 CCBDMN CCO[C@H]1C[C@H](O)C12CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000839689849 615496117 /nfs/dbraw/zinc/49/61/17/615496117.db2.gz AAWGFNBKDYWCNG-WYUUTHIRSA-N 0 1 298.339 0.430 20 5 CCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000839717787 615530311 /nfs/dbraw/zinc/53/03/11/615530311.db2.gz KIXOFEOWJCEANI-GBNDHIKLSA-N 0 1 270.207 0.470 20 5 CCBDMN CCc1cc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])n[nH]1 ZINC000811805580 615651269 /nfs/dbraw/zinc/65/12/69/615651269.db2.gz NVMOFMADTPFXSI-UHFFFAOYSA-N 0 1 290.283 0.986 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000840440414 615867230 /nfs/dbraw/zinc/86/72/30/615867230.db2.gz AUMJNEZPIFNZBQ-GRYCIOLGSA-N 0 1 291.307 0.727 20 5 CCBDMN COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840473958 616286383 /nfs/dbraw/zinc/28/63/83/616286383.db2.gz ZXLKAOWTYLOJDL-DOLQZWNJSA-N 0 1 270.285 0.500 20 5 CCBDMN COC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccs1 ZINC000840300458 616630271 /nfs/dbraw/zinc/63/02/71/616630271.db2.gz FBPKFIVGWGNFGK-ZXFLCMHBSA-N 0 1 284.293 0.744 20 5 CCBDMN COC(=O)[C@H]1CCC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842343425 616658558 /nfs/dbraw/zinc/65/85/58/616658558.db2.gz NECXODHTPFBZSJ-SGIHWFKDSA-N 0 1 271.269 0.927 20 5 CCBDMN COCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839703666 616844711 /nfs/dbraw/zinc/84/47/11/616844711.db2.gz OHJVNHZKHKXXOA-NXEZZACHSA-N 0 1 256.302 0.975 20 5 CCBDMN CO[C@@]1(C)C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839694644 616929942 /nfs/dbraw/zinc/92/99/42/616929942.db2.gz QXRQEUISVLXXOU-XBWDGYHZSA-N 0 1 256.302 0.971 20 5 CCBDMN C[NH2+]C(C)(C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826073399 616932579 /nfs/dbraw/zinc/93/25/79/616932579.db2.gz QOPOFUOLTXQSKK-UHFFFAOYSA-N 0 1 292.303 0.580 20 5 CCBDMN C[NH2+]C(C)(C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826073399 616932584 /nfs/dbraw/zinc/93/25/84/616932584.db2.gz QOPOFUOLTXQSKK-UHFFFAOYSA-N 0 1 292.303 0.580 20 5 CCBDMN COC(=O)[C@@H](C)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840314082 616937543 /nfs/dbraw/zinc/93/75/43/616937543.db2.gz FWNNXSDBFORLGP-FXBDTBDDSA-N 0 1 270.285 0.452 20 5 CCBDMN C[C@H](Cc1cnccn1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000893400341 625694762 /nfs/dbraw/zinc/69/47/62/625694762.db2.gz JWQUVQXETDZPPS-SZEHBUNVSA-N 0 1 251.242 0.616 20 5 CCBDMN O=[N+]([O-])CCNC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000905351859 634846175 /nfs/dbraw/zinc/84/61/75/634846175.db2.gz VQTCYBPBFIGKFW-MRVPVSSYSA-N 0 1 276.239 0.571 20 5 CCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])NCC1CCC1 ZINC000840671584 631672294 /nfs/dbraw/zinc/67/22/94/631672294.db2.gz XQOAHQBSJBLGGP-RKDXNWHRSA-N 0 1 256.258 0.111 20 5 CCBDMN O=C(CC1CCCC1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990105532 633447476 /nfs/dbraw/zinc/44/74/76/633447476.db2.gz QRGXNIZBAAAJDQ-VXGBXAGGSA-N 0 1 295.339 0.559 20 5 CCBDMN O=[N+]([O-])CCN[C@H]1CCCN(c2ncccn2)C1 ZINC000899872305 633912864 /nfs/dbraw/zinc/91/28/64/633912864.db2.gz YREUPIQVSMEPFT-JTQLQIEISA-N 0 1 251.290 0.312 20 5 CCBDMN O=C(NC1CN(C(=O)C2(F)CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991291774 635855574 /nfs/dbraw/zinc/85/55/74/635855574.db2.gz YUOZLNLXDVZJAN-NXEZZACHSA-N 0 1 299.302 0.261 20 5 CCBDMN O=C(CNc1ccccc1[N+](=O)[O-])NC12CCN(CC1)C2 ZINC000913628934 637389902 /nfs/dbraw/zinc/38/99/02/637389902.db2.gz NNFPMYDXPUPHGS-UHFFFAOYSA-N 0 1 290.323 0.971 20 5 CCBDMN CC(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001013923737 650427022 /nfs/dbraw/zinc/42/70/22/650427022.db2.gz KRURIHBOPPUFNZ-GYEOWSFSSA-N 0 1 281.312 0.215 20 5 CCBDMN O=C(NCC1CN(C(=O)C2=CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001796474 639340941 /nfs/dbraw/zinc/34/09/41/639340941.db2.gz QWTJKAHAVQJFRX-VXGBXAGGSA-N 0 1 293.323 0.337 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000839670638 640353204 /nfs/dbraw/zinc/35/32/04/640353204.db2.gz VWHBPFIZZYNCMS-XLPZGREQSA-N 0 1 258.274 0.498 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000839707330 640357053 /nfs/dbraw/zinc/35/70/53/640357053.db2.gz CVUCDRJRIJVFMZ-CWKFCGSDSA-N 0 1 282.218 0.566 20 5 CCBDMN C[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000839729030 640358021 /nfs/dbraw/zinc/35/80/21/640358021.db2.gz UZIFBKREYNUGKF-DCQANWLSSA-N 0 1 268.313 0.973 20 5 CCBDMN O=C(N[C@@H](CO)c1c(F)cccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000839725538 640358702 /nfs/dbraw/zinc/35/87/02/640358702.db2.gz SGXGHLUCQHIGPB-WHFVKQHSSA-N 0 1 286.234 0.780 20 5 CCBDMN O=C(N[C@H]([C@H](CO)C1CC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839784012 640364998 /nfs/dbraw/zinc/36/49/98/640364998.db2.gz YZIIKYQYCXQFPG-KKOKHZNYSA-N 0 1 268.313 0.565 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCO[C@H](C(F)F)C2)c1[N+](=O)[O-] ZINC000801423789 640650354 /nfs/dbraw/zinc/65/03/54/640650354.db2.gz IDEHZRBZPBLSBH-LURJTMIESA-N 0 1 290.226 0.732 20 5 CCBDMN O=C(NCC[C@H]1C(=O)Nc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000840244534 640992962 /nfs/dbraw/zinc/99/29/62/640992962.db2.gz OWNYSXQRGJAFIV-CKYFFXLPSA-N 0 1 289.291 0.894 20 5 CCBDMN O=C(CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)NCC1CC1 ZINC000819213801 641389789 /nfs/dbraw/zinc/38/97/89/641389789.db2.gz MLVHWKQDVIPEEN-CYBMUJFWSA-N 0 1 293.323 0.744 20 5 CCBDMN Cn1nc(C(F)(F)F)cc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000831021787 642307662 /nfs/dbraw/zinc/30/76/62/642307662.db2.gz XAOGYQNVXDVZHC-RNFRBKRXSA-N 0 1 292.217 0.720 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCn2nc(C3CC3)cc2C1 ZINC000834436120 642566044 /nfs/dbraw/zinc/56/60/44/642566044.db2.gz ASSKXKDVQUSPNA-ZYHUDNBSSA-N 0 1 276.296 0.768 20 5 CCBDMN O=C(OC1CN(CC(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842362543 642893249 /nfs/dbraw/zinc/89/32/49/642893249.db2.gz VREKADOEBSEOET-RNFRBKRXSA-N 0 1 250.201 0.144 20 5 CCBDMN O=C(NCc1noc(C(F)(F)F)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000844137052 643159363 /nfs/dbraw/zinc/15/93/63/643159363.db2.gz MXXDAQFYCPPDSL-QWWZWVQMSA-N 0 1 280.162 0.370 20 5 CCBDMN Cc1nc([C@H](C)OC(=O)c2ccnc(N)c2[N+](=O)[O-])n[nH]1 ZINC000848790739 643680233 /nfs/dbraw/zinc/68/02/33/643680233.db2.gz QHADXKVUEFKOGJ-YFKPBYRVSA-N 0 1 292.255 0.917 20 5 CCBDMN C[C@@H](C(=O)[O-])[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000851706582 643874064 /nfs/dbraw/zinc/87/40/64/643874064.db2.gz QWQZFHZPQLVVQE-GZMMTYOYSA-N 0 1 298.299 0.090 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(CO)(CO)C2)c1 ZINC000852629615 643984441 /nfs/dbraw/zinc/98/44/41/643984441.db2.gz KAIJWYYUEZYZGM-CYBMUJFWSA-N 0 1 296.323 0.305 20 5 CCBDMN C[C@@](CO)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000855086785 644288572 /nfs/dbraw/zinc/28/85/72/644288572.db2.gz XJSKCDOIYYEGQU-WZRBSPASSA-N 0 1 264.281 0.676 20 5 CCBDMN Cn1nc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1Cl ZINC000859720343 644727150 /nfs/dbraw/zinc/72/71/50/644727150.db2.gz KRZBLNWNHUSVNC-RNFRBKRXSA-N 0 1 259.649 0.782 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000863057701 645058531 /nfs/dbraw/zinc/05/85/31/645058531.db2.gz IFSHDUYIJQVYHJ-FKTZTGRPSA-N 0 1 278.268 0.511 20 5 CCBDMN C[S@@](=O)CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000879270840 647041392 /nfs/dbraw/zinc/04/13/92/647041392.db2.gz BFYIMNZXTTXIRM-HXPMCKFVSA-N 0 1 286.353 0.770 20 5 CCBDMN O=C(N[C@H]([C@H]1CCOC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000885524946 647859985 /nfs/dbraw/zinc/85/99/85/647859985.db2.gz NLZGPGBTTIZJBO-LXGUWJNJSA-N 0 1 282.218 0.735 20 5 CCBDMN O=C(NC[C@@H]1CC[C@H](C2CC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000887473968 648115906 /nfs/dbraw/zinc/11/59/06/648115906.db2.gz JBAGKMMNQLRJBK-LNFKQOIKSA-N 0 1 254.286 0.725 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C(C)C)CC1 ZINC000929995058 648810148 /nfs/dbraw/zinc/81/01/48/648810148.db2.gz YBPOOBWQEYOUAK-UHFFFAOYSA-N 0 1 295.343 0.652 20 5 CCBDMN CN1CCO[C@@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@@H]21 ZINC001164668326 719371771 /nfs/dbraw/zinc/37/17/71/719371771.db2.gz MUWOAWZOQFIEHK-WDEREUQCSA-N 0 1 264.285 0.509 20 5 CCBDMN COc1cnc(N2C[C@H]3OCCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164665219 719389706 /nfs/dbraw/zinc/38/97/06/719389706.db2.gz GEAHIYXMIZLSFS-NWDGAFQWSA-N 0 1 294.311 0.518 20 5 CCBDMN C[C@@H]1CN2CCN1C[C@@H]2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001123472669 799416591 /nfs/dbraw/zinc/41/65/91/799416591.db2.gz GYNHJVSTJZCUNL-ZWNOBZJWSA-N 0 1 290.323 0.922 20 5 CCBDMN O=C(NC[C@H](O)COc1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839532387 800026508 /nfs/dbraw/zinc/02/65/08/800026508.db2.gz XDWQWBRIRLYWLI-MVWJERBFSA-N 0 1 298.270 0.347 20 5 CCBDMN COC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC001154734972 800835435 /nfs/dbraw/zinc/83/54/35/800835435.db2.gz RBLYFGAINBSXSI-ZETCQYMHSA-N 0 1 297.271 0.197 20 5 CCBDMN Cc1cnc(CN)n1-c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001158165313 801580522 /nfs/dbraw/zinc/58/05/22/801580522.db2.gz ZAVFKEHHKOJSPR-UHFFFAOYSA-N 0 1 263.257 0.489 20 5 CCBDMN COc1cnc(N2CCN3CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001158422496 801641781 /nfs/dbraw/zinc/64/17/81/801641781.db2.gz BOWVBGSYSYQPAN-VIFPVBQESA-N 0 1 264.285 0.893 20 5 CCBDMN COc1cc(N2CCN3CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001158424890 801642616 /nfs/dbraw/zinc/64/26/16/801642616.db2.gz ZJLNJWNJOQMDIM-VIFPVBQESA-N 0 1 264.285 0.893 20 5 CCBDMN COc1nc(NC[C@H]2COCCN2)ccc1[N+](=O)[O-] ZINC001159043167 801749010 /nfs/dbraw/zinc/74/90/10/801749010.db2.gz PXDVZXDXNXPIME-QMMMGPOBSA-N 0 1 268.273 0.399 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])S1 ZINC001163671396 802588783 /nfs/dbraw/zinc/58/87/83/802588783.db2.gz DMSXMMIYIBWMQN-ZETCQYMHSA-N 0 1 288.672 0.786 20 5 CCBDMN Cc1cn[nH]c1Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC001166399452 802904373 /nfs/dbraw/zinc/90/43/73/802904373.db2.gz HDEQHGFXQPDPFO-UHFFFAOYSA-N 0 1 252.205 0.975 20 5 CCBDMN C[C@H](O)C(=O)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228241445 805424945 /nfs/dbraw/zinc/42/49/45/805424945.db2.gz BLJFEOLBBZGQSD-YFKPBYRVSA-N 0 1 279.208 0.530 20 5 CCBDMN C[C@H](O)[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC001161585490 815219202 /nfs/dbraw/zinc/21/92/02/815219202.db2.gz BYQRZQRUAJOOCA-QPUJVOFHSA-N 0 1 296.279 0.522 20 5 CCBDMN CCCNC(=O)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001262648910 809384015 /nfs/dbraw/zinc/38/40/15/809384015.db2.gz UMTMFKQKZXCKJH-QMMMGPOBSA-N 0 1 295.295 0.945 20 5 CCBDMN CC(C)c1cnc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001126939463 815339006 /nfs/dbraw/zinc/33/90/06/815339006.db2.gz ZSQVFUDMIVPFBW-NXEZZACHSA-N 0 1 296.327 0.669 20 5 CCBDMN CCc1nocc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292800 815962477 /nfs/dbraw/zinc/96/24/77/815962477.db2.gz WFVPWDADSBIVDA-ZYHUDNBSSA-N 0 1 294.311 0.203 20 5 CCBDMN Cc1conc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031662853 817227620 /nfs/dbraw/zinc/22/76/20/817227620.db2.gz OACSYZKLUWFOEV-ZYHUDNBSSA-N 0 1 294.311 0.196 20 5 CCBDMN CN1CCN(C(=N)Nc2ncnc(Cl)c2[N+](=O)[O-])CC1 ZINC001168736514 818546553 /nfs/dbraw/zinc/54/65/53/818546553.db2.gz MXQCYUHLHSVIPN-UHFFFAOYSA-N 0 1 299.722 0.632 20 5 CCBDMN O=C(CC1CC1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989775 820129416 /nfs/dbraw/zinc/12/94/16/820129416.db2.gz RAMQCQHRVIWEMR-GHMZBOCLSA-N 0 1 295.339 0.607 20 5 CCBDMN CCOC(=O)c1cc(-n2nnnc2CN)ccc1[N+](=O)[O-] ZINC001168924496 836059309 /nfs/dbraw/zinc/05/93/09/836059309.db2.gz ZSEBTLBVRKQWSC-UHFFFAOYSA-N 0 1 292.255 0.206 20 5 CCBDMN COc1cnc(NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC001170043213 836776522 /nfs/dbraw/zinc/77/65/22/836776522.db2.gz VTYSGTRHKBXOEA-MRVPVSSYSA-N 0 1 268.273 0.399 20 5 CCBDMN Cc1c(CC(=O)N(C)c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001131170116 838011761 /nfs/dbraw/zinc/01/17/61/838011761.db2.gz SNRRYQFRVKWUJI-UHFFFAOYSA-N 0 1 276.256 0.622 20 5 CCBDMN Cc1nc([C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001133527989 838663555 /nfs/dbraw/zinc/66/35/55/838663555.db2.gz UGEQYAAVHRQWDT-IWSPIJDZSA-N 0 1 266.257 0.359 20 5 CCBDMN Cc1ccnc(NCCNC(=O)c2ncn[nH]2)c1[N+](=O)[O-] ZINC001093793601 841459220 /nfs/dbraw/zinc/45/92/20/841459220.db2.gz XJPAMYOXQUUKAQ-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN Cc1ccnc(NCCNC(=O)c2nc[nH]n2)c1[N+](=O)[O-] ZINC001093793601 841459225 /nfs/dbraw/zinc/45/92/25/841459225.db2.gz XJPAMYOXQUUKAQ-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC=C(N)N2)c1[N+](=O)[O-] ZINC001178078798 842764827 /nfs/dbraw/zinc/76/48/27/842764827.db2.gz GGDGLZAIZKYFGU-UHFFFAOYSA-N 0 1 266.261 0.202 20 5 CCBDMN C[C@@H](Nc1ccncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001119973935 856944179 /nfs/dbraw/zinc/94/41/79/856944179.db2.gz IWQHVPQVSSRVPM-MFKMUULPSA-N 0 1 279.344 0.458 20 5 CCBDMN C[C@@H](Nc1ccncc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001119973935 856944182 /nfs/dbraw/zinc/94/41/82/856944182.db2.gz IWQHVPQVSSRVPM-MFKMUULPSA-N 0 1 279.344 0.458 20 5 CCBDMN O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CNCCO3)n2)nc1 ZINC001325934124 913650751 /nfs/dbraw/zinc/65/07/51/913650751.db2.gz SOYKIFSIYZZBNV-JTQLQIEISA-N 0 1 291.267 0.625 20 5 CCBDMN O=C(N[C@@H](CO)CC(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC001343690861 892955414 /nfs/dbraw/zinc/95/54/14/892955414.db2.gz JRXIFCYPAOHYHP-SCSAIBSYSA-N 0 1 264.188 0.064 20 5 CCBDMN CNC(=O)C1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC001326731134 914124388 /nfs/dbraw/zinc/12/43/88/914124388.db2.gz FNXLZWPDVXXHMJ-UHFFFAOYSA-N 0 1 295.299 0.225 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(OC[C@@H]2OCCN(C)C2=O)n1 ZINC001231264550 903933902 /nfs/dbraw/zinc/93/39/02/903933902.db2.gz RZLNRXYERUXFBM-VIFPVBQESA-N 0 1 297.267 0.240 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CC[C@H](c3nc[nH]n3)C2)nc1 ZINC001331946177 904032189 /nfs/dbraw/zinc/03/21/89/904032189.db2.gz PYAMBGCBCSHFSL-ZETCQYMHSA-N 0 1 261.245 0.497 20 5 CCBDMN CC(C)(C)/C=C/C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001297020973 907003669 /nfs/dbraw/zinc/00/36/69/907003669.db2.gz BQWALGWNQBGBAB-XKFHPXPTSA-N 0 1 295.339 0.581 20 5 CCBDMN CC1(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001491696026 907510810 /nfs/dbraw/zinc/51/08/10/907510810.db2.gz CDFWATOJBRIBLV-GHMZBOCLSA-N 0 1 297.355 0.854 20 5 CCBDMN COc1cc([N+](=O)[O-])cn(Cc2n[nH]c(C)n2)c1=O ZINC001307378888 908310708 /nfs/dbraw/zinc/31/07/08/908310708.db2.gz HWQRLASMAMAAIB-UHFFFAOYSA-N 0 1 265.229 0.240 20 5 CCBDMN COc1cccc(C(=O)NCc2nnc[nH]2)c1[N+](=O)[O-] ZINC001320801008 910876272 /nfs/dbraw/zinc/87/62/72/910876272.db2.gz WQTWGBXJDDVMFH-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1NCCN1CC[C@@H](O)C1 ZINC001329770475 916177955 /nfs/dbraw/zinc/17/79/55/916177955.db2.gz JYDIGHRPXUXRAU-SNVBAGLBSA-N 0 1 266.301 0.199 20 5 CCBDMN O=C(N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)[C@@H]1CC1[N+](=O)[O-] ZINC001329992007 916342239 /nfs/dbraw/zinc/34/22/39/916342239.db2.gz AQEYBDJXGHWGRF-LLJKFVGLSA-N 0 1 252.270 0.191 20 5 CCBDMN Cn1c(CCNCC[N+](=O)[O-])nnc1-c1ccccc1 ZINC001335432382 920192424 /nfs/dbraw/zinc/19/24/24/920192424.db2.gz QHGZKJNJHXRQEF-UHFFFAOYSA-N 0 1 275.312 0.891 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001342518308 922989396 /nfs/dbraw/zinc/98/93/96/922989396.db2.gz LTTXRBWHUZMBQH-SKDRFNHKSA-N 0 1 279.296 0.760 20 5 CCBDMN O=C(O[C@@H]1CCCS(=O)(=O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC001343992900 923522989 /nfs/dbraw/zinc/52/29/89/923522989.db2.gz HQWFPSURLVMUEO-SSDOTTSWSA-N 0 1 288.281 0.657 20 5 CCBDMN CC1(CC(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001348902912 924838386 /nfs/dbraw/zinc/83/83/86/924838386.db2.gz WAZMBCBTNRAQGT-GHMZBOCLSA-N 0 1 297.355 0.854 20 5 CCBDMN O=C(NC1(C(=O)NCC2CC2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001361040124 926955653 /nfs/dbraw/zinc/95/56/53/926955653.db2.gz IWMKRSUMAMQJJR-GHMZBOCLSA-N 0 1 295.339 0.607 20 5 CCBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001599883789 989522072 /nfs/dbraw/zinc/52/20/72/989522072.db2.gz CABCEXATLHAQRM-ZDUSSCGKSA-N 0 1 295.295 0.696 20 5 CCBDMN CCn1nnc(C)c1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600054867 361857071 /nfs/dbraw/zinc/85/70/71/361857071.db2.gz MEHVPRBKKIGAHX-UHFFFAOYSA-N 0 1 279.260 0.168 20 5 CCBDMN Cc1ccc(CN2C[C@@H](CO)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000600191640 361886701 /nfs/dbraw/zinc/88/67/01/361886701.db2.gz LBNLKIQPMJPDDP-STQMWFEESA-N 0 1 280.324 0.936 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@@H](O)C1 ZINC000600527502 362003974 /nfs/dbraw/zinc/00/39/74/362003974.db2.gz PYDUELIBDKDVOG-LLVKDONJSA-N 0 1 294.311 0.095 20 5 CCBDMN Cc1nnc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[nH]1 ZINC000103258409 349695094 /nfs/dbraw/zinc/69/50/94/349695094.db2.gz IHSUQBJHIFBOGY-UHFFFAOYSA-N 0 1 293.287 0.863 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000600532559 362004851 /nfs/dbraw/zinc/00/48/51/362004851.db2.gz IJTGYXIOBJMFDR-SNVBAGLBSA-N 0 1 295.295 0.097 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000600533566 362005261 /nfs/dbraw/zinc/00/52/61/362005261.db2.gz KYFUOKCWAVQICF-LLVKDONJSA-N 0 1 295.295 0.097 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H](C)O)c1[N+](=O)[O-] ZINC000126404792 187237310 /nfs/dbraw/zinc/23/73/10/187237310.db2.gz PTGKWGMPLMHRPE-ZETCQYMHSA-N 0 1 270.289 0.723 20 5 CCBDMN Cc1cc(S(=O)(=O)NCCN(C)C)c([N+](=O)[O-])s1 ZINC000601283082 362201579 /nfs/dbraw/zinc/20/15/79/362201579.db2.gz NMJAMIRSRRCMBU-UHFFFAOYSA-N 0 1 293.370 0.805 20 5 CCBDMN CN1C[C@@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)OC1=O ZINC000495754530 529818752 /nfs/dbraw/zinc/81/87/52/529818752.db2.gz QOVALCJYPZOVRH-LURJTMIESA-N 0 1 269.213 0.530 20 5 CCBDMN Cn1cc(CN2CCN(CCO)C(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602629732 362720707 /nfs/dbraw/zinc/72/07/07/362720707.db2.gz RAQKNIFDCYUIQA-UHFFFAOYSA-N 0 1 297.359 0.217 20 5 CCBDMN C[N@@H+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602714069 362764032 /nfs/dbraw/zinc/76/40/32/362764032.db2.gz FRODUIZUSZNNRS-NSHDSACASA-N 0 1 281.312 0.409 20 5 CCBDMN C[N@H+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602714069 362764036 /nfs/dbraw/zinc/76/40/36/362764036.db2.gz FRODUIZUSZNNRS-NSHDSACASA-N 0 1 281.312 0.409 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](C)C[S@@](C)=O ZINC000602808745 362810685 /nfs/dbraw/zinc/81/06/85/362810685.db2.gz ZFLHRVHATXFWQI-AYLIAGHASA-N 0 1 288.373 0.799 20 5 CCBDMN C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000602848119 362835949 /nfs/dbraw/zinc/83/59/49/362835949.db2.gz ZCRLUDNAZMGYQL-QWRGUYRKSA-N 0 1 297.359 0.215 20 5 CCBDMN Cn1cc(CNC2(CO)CCSCC2)c([N+](=O)[O-])n1 ZINC000602839168 362827725 /nfs/dbraw/zinc/82/77/25/362827725.db2.gz IKHAWOBBGVQVHY-UHFFFAOYSA-N 0 1 286.357 0.676 20 5 CCBDMN NC1(c2noc(Cn3cc([N+](=O)[O-])cn3)n2)CCC1 ZINC000261883096 137024401 /nfs/dbraw/zinc/02/44/01/137024401.db2.gz WOZSNDGGLORCKB-UHFFFAOYSA-N 0 1 264.245 0.561 20 5 CCBDMN COC[C@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262325780 137038415 /nfs/dbraw/zinc/03/84/15/137038415.db2.gz DFHCYNVNLXIRMP-VIFPVBQESA-N 0 1 265.269 0.458 20 5 CCBDMN Cc1cc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])on1 ZINC000343119555 137116615 /nfs/dbraw/zinc/11/66/15/137116615.db2.gz QYPBFUKCPVAVTH-UHFFFAOYSA-N 0 1 265.229 0.587 20 5 CCBDMN O=C(NCCc1cscn1)c1n[nH]cc1[N+](=O)[O-] ZINC000343534282 137140424 /nfs/dbraw/zinc/14/04/24/137140424.db2.gz DHOWKNOGPHAWIS-UHFFFAOYSA-N 0 1 267.270 0.747 20 5 CCBDMN COC(=O)C1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC1 ZINC000345214178 137240125 /nfs/dbraw/zinc/24/01/25/137240125.db2.gz AOMRBQIKSXVZNF-UHFFFAOYSA-N 0 1 282.256 0.534 20 5 CCBDMN O=C(NC1(c2nn[nH]n2)CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000346335457 137279513 /nfs/dbraw/zinc/27/95/13/137279513.db2.gz RHAMPKJNLDUGAC-UHFFFAOYSA-N 0 1 291.271 0.635 20 5 CCBDMN COC(=O)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@H]1C ZINC000347219646 137326080 /nfs/dbraw/zinc/32/60/80/137326080.db2.gz IPUFHMJZGJMMCI-YUMQZZPRSA-N 0 1 296.283 0.650 20 5 CCBDMN CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCN(C2CC2)C1 ZINC000347214176 137325922 /nfs/dbraw/zinc/32/59/22/137325922.db2.gz IINZIHJQSCEXSC-JTQLQIEISA-N 0 1 293.327 0.637 20 5 CCBDMN COc1cc(CN2[C@H](CO)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000347310085 137330565 /nfs/dbraw/zinc/33/05/65/137330565.db2.gz OUEXAQCHKZSKBU-RYUDHWBXSA-N 0 1 296.323 0.921 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000349170395 137389177 /nfs/dbraw/zinc/38/91/77/137389177.db2.gz GRPXOEKTFKLSBO-UHFFFAOYSA-N 0 1 250.218 0.279 20 5 CCBDMN Cc1[nH]ncc1CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000050183300 348470146 /nfs/dbraw/zinc/47/01/46/348470146.db2.gz ZEDJMXKQPMMFMA-UHFFFAOYSA-N 0 1 292.299 0.572 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000064335521 348698480 /nfs/dbraw/zinc/69/84/80/348698480.db2.gz UTQMLELERAVEIB-ZCFIWIBFSA-N 0 1 254.246 0.487 20 5 CCBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)N1 ZINC000070075779 348871842 /nfs/dbraw/zinc/87/18/42/348871842.db2.gz VMTSSFLNGCCRLT-RKDXNWHRSA-N 0 1 266.301 0.756 20 5 CCBDMN CC(C)(O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000070940315 348899984 /nfs/dbraw/zinc/89/99/84/348899984.db2.gz GGHJTLUHOGIVHL-UHFFFAOYSA-N 0 1 280.328 0.883 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCCCc1nc[nH]n1 ZINC000080540822 349217342 /nfs/dbraw/zinc/21/73/42/349217342.db2.gz ZMDADHWZIFHUPB-UHFFFAOYSA-N 0 1 278.272 0.414 20 5 CCBDMN O=[N+]([O-])c1ccc2ncnc(NCc3nn[nH]n3)c2c1 ZINC000081589718 349277250 /nfs/dbraw/zinc/27/72/50/349277250.db2.gz VGDNDWLCXYAEJS-UHFFFAOYSA-N 0 1 272.228 0.663 20 5 CCBDMN CC1CC[NH+](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000135997515 350411785 /nfs/dbraw/zinc/41/17/85/350411785.db2.gz JHCWYIJERAVZRH-UHFFFAOYSA-N 0 1 281.316 0.780 20 5 CCBDMN CC(C)[C@H]1CN(C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172553953 350992836 /nfs/dbraw/zinc/99/28/36/350992836.db2.gz LGAKJMBPJVVLNC-GFCCVEGCSA-N 0 1 295.343 0.590 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCN(C3CC3)CC2)n1 ZINC000176219268 351161034 /nfs/dbraw/zinc/16/10/34/351161034.db2.gz QHGSKAMLVRYJRI-UHFFFAOYSA-N 0 1 265.317 0.571 20 5 CCBDMN O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1n[nH]cc1[N+](=O)[O-] ZINC000179718671 351276101 /nfs/dbraw/zinc/27/61/01/351276101.db2.gz ZEHXOLHUVDDYJB-BXKDBHETSA-N 0 1 288.263 0.706 20 5 CCBDMN CO[C@@H]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000188300216 351585892 /nfs/dbraw/zinc/58/58/92/351585892.db2.gz ODKNBESNGBZCCT-RNFRBKRXSA-N 0 1 254.246 0.615 20 5 CCBDMN C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1 ZINC000188453221 351597932 /nfs/dbraw/zinc/59/79/32/351597932.db2.gz XALIZXOOUCYDBT-MRVPVSSYSA-N 0 1 264.285 0.611 20 5 CCBDMN COC(=O)[C@H]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000192677084 351793487 /nfs/dbraw/zinc/79/34/87/351793487.db2.gz AHUFIPGGFNVRBV-NKWVEPMBSA-N 0 1 282.256 0.389 20 5 CCBDMN COc1cc(C(=O)N2CCNCC2)ccc1[N+](=O)[O-] ZINC000122321317 187026362 /nfs/dbraw/zinc/02/63/62/187026362.db2.gz QAOFKQVGPFDVQC-UHFFFAOYSA-N 0 1 265.269 0.649 20 5 CCBDMN CCCCOCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000122793342 187052248 /nfs/dbraw/zinc/05/22/48/187052248.db2.gz OOIVUDYUDUEIAK-UHFFFAOYSA-N 0 1 256.262 0.864 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000224497722 351998081 /nfs/dbraw/zinc/99/80/81/351998081.db2.gz OUVFHKLULNZQQQ-UHFFFAOYSA-N 0 1 294.246 0.706 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000236068124 352191246 /nfs/dbraw/zinc/19/12/46/352191246.db2.gz UESDPCLLLVPCCX-SECBINFHSA-N 0 1 299.714 0.966 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1ccccc1[N+](=O)[O-] ZINC000236408960 352193885 /nfs/dbraw/zinc/19/38/85/352193885.db2.gz ZBSUONQMVQDHLX-VIFPVBQESA-N 0 1 265.269 0.313 20 5 CCBDMN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC000238131775 352300032 /nfs/dbraw/zinc/30/00/32/352300032.db2.gz QNZZKIAREZKVAB-LBPRGKRZSA-N 0 1 294.311 0.111 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1C[C@H](O)C[C@H]1CO ZINC000245763349 352337240 /nfs/dbraw/zinc/33/72/40/352337240.db2.gz ZYVQVEPLCZDFTN-WDEREUQCSA-N 0 1 282.296 0.401 20 5 CCBDMN Cc1[nH]nc(C(=O)N(CCO)C2CC2)c1[N+](=O)[O-] ZINC000269597848 352851115 /nfs/dbraw/zinc/85/11/15/352851115.db2.gz HFAJNTLOILWSAS-UHFFFAOYSA-N 0 1 254.246 0.223 20 5 CCBDMN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270797978 352987168 /nfs/dbraw/zinc/98/71/68/352987168.db2.gz NCVCBBCWXHFMDL-RQJHMYQMSA-N 0 1 281.272 0.092 20 5 CCBDMN CN1CCO[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272581466 353076166 /nfs/dbraw/zinc/07/61/66/353076166.db2.gz UHKFSNAGUKGCQP-GFCCVEGCSA-N 0 1 295.295 0.361 20 5 CCBDMN C[C@@H](CO)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272670101 353084854 /nfs/dbraw/zinc/08/48/54/353084854.db2.gz KMODRHRWHJIZFO-SSDOTTSWSA-N 0 1 254.242 0.659 20 5 CCBDMN C[C@@H](CCO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272685514 353085289 /nfs/dbraw/zinc/08/52/89/353085289.db2.gz OXOXLMRDNYSIFQ-ZETCQYMHSA-N 0 1 254.242 0.801 20 5 CCBDMN CC1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)OCCO1 ZINC000272678742 353085318 /nfs/dbraw/zinc/08/53/18/353085318.db2.gz MVITWHHKJDEQKC-UHFFFAOYSA-N 0 1 282.252 0.793 20 5 CCBDMN CO[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276985138 353215512 /nfs/dbraw/zinc/21/55/12/353215512.db2.gz ZWKGJWUTXXQHIJ-MELADBBJSA-N 0 1 296.323 0.974 20 5 CCBDMN CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1OC ZINC000277420123 353242714 /nfs/dbraw/zinc/24/27/14/353242714.db2.gz AYLRJRNYARNTMZ-OCAPTIKFSA-N 0 1 284.272 0.112 20 5 CCBDMN CCC1(O)CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000282826813 353454943 /nfs/dbraw/zinc/45/49/43/353454943.db2.gz CYCCRMUVKLGOCE-UHFFFAOYSA-N 0 1 254.246 0.223 20 5 CCBDMN O=[N+]([O-])c1ccc(CN(CCO)CCCO)cc1F ZINC000283225694 353492367 /nfs/dbraw/zinc/49/23/67/353492367.db2.gz TWTWJYQBNHWGOF-UHFFFAOYSA-N 0 1 272.276 0.911 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CCC(N)=O ZINC000286481544 353589911 /nfs/dbraw/zinc/58/99/11/353589911.db2.gz OJHUWYCNARWPJL-UHFFFAOYSA-N 0 1 267.285 0.911 20 5 CCBDMN Cc1nc([C@H](C)NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000286540263 353594432 /nfs/dbraw/zinc/59/44/32/353594432.db2.gz ZGMOYVWSDOWAQC-YFKPBYRVSA-N 0 1 292.255 0.613 20 5 CCBDMN O=C(NC[C@H]1CC[C@@H](CO)O1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000293919355 353851211 /nfs/dbraw/zinc/85/12/11/353851211.db2.gz MYLLBATYAPXTPN-NEPJUHHUSA-N 0 1 296.279 0.570 20 5 CCBDMN COCCN1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299025934 353984108 /nfs/dbraw/zinc/98/41/08/353984108.db2.gz OHRYGHVCXDAMIY-UHFFFAOYSA-N 0 1 296.327 0.717 20 5 CCBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000305239250 354140849 /nfs/dbraw/zinc/14/08/49/354140849.db2.gz PRTTYNVIBWBNKX-ZDUSSCGKSA-N 0 1 293.323 0.896 20 5 CCBDMN CC(C)n1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])nn1 ZINC000557030363 291020171 /nfs/dbraw/zinc/02/01/71/291020171.db2.gz JGHFZYMDDOMLCK-UHFFFAOYSA-N 0 1 279.260 0.420 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000342784741 355746940 /nfs/dbraw/zinc/74/69/40/355746940.db2.gz WGTSTQLDFQFVCC-UHFFFAOYSA-N 0 1 292.299 0.874 20 5 CCBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2nn[nH]n2)CC1 ZINC000348279171 355902950 /nfs/dbraw/zinc/90/29/50/355902950.db2.gz PBJBJLQKQHQROC-UHFFFAOYSA-N 0 1 288.267 0.456 20 5 CCBDMN O=C(NC1(c2nn[nH]n2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000348291253 355905575 /nfs/dbraw/zinc/90/55/75/355905575.db2.gz ATALLOHLEWSXSX-UHFFFAOYSA-N 0 1 292.230 0.666 20 5 CCBDMN O=C(N[C@@H]1CNC(=O)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354143817 356353060 /nfs/dbraw/zinc/35/30/60/356353060.db2.gz QCLISWBAKCJYGN-LURJTMIESA-N 0 1 289.251 0.089 20 5 CCBDMN Cc1c(C(=O)Nc2nn[nH]c2C(N)=O)cccc1[N+](=O)[O-] ZINC000362410394 138058432 /nfs/dbraw/zinc/05/84/32/138058432.db2.gz KHCYNMQOZQTHAF-UHFFFAOYSA-N 0 1 290.239 0.373 20 5 CCBDMN O=C(N[C@H]1C[C@@H]1c1cccnc1)c1n[nH]cc1[N+](=O)[O-] ZINC000619567341 366282879 /nfs/dbraw/zinc/28/28/79/366282879.db2.gz UJYVBRCLRZQGPN-BDAKNGLRSA-N 0 1 273.252 0.999 20 5 CCBDMN Cc1cc(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])n[nH]1 ZINC000609594759 363507444 /nfs/dbraw/zinc/50/74/44/363507444.db2.gz FTDAXIOURZLRPK-UHFFFAOYSA-N 0 1 264.245 0.588 20 5 CCBDMN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n[nH]1 ZINC000609599831 363508957 /nfs/dbraw/zinc/50/89/57/363508957.db2.gz KUEBFYDMXIQIGK-UHFFFAOYSA-N 0 1 277.240 0.657 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](Oc2ccncc2)C1 ZINC000364184959 357093002 /nfs/dbraw/zinc/09/30/02/357093002.db2.gz DWRIXKSVVKAXRF-IJLUTSLNSA-N 0 1 277.280 0.727 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1CN1CCOCC1 ZINC000365252358 357137667 /nfs/dbraw/zinc/13/76/67/357137667.db2.gz IOIATTYRLYOWJO-JHJVBQTASA-N 0 1 297.355 0.365 20 5 CCBDMN O=C(Nc1cnc2c(c1)COCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000376165514 357439560 /nfs/dbraw/zinc/43/95/60/357439560.db2.gz INYBFXLCHSSIIF-MWLCHTKSSA-N 0 1 263.253 0.758 20 5 CCBDMN O=C(NC[C@H]1CCCCN1CCO)c1ccc([N+](=O)[O-])o1 ZINC000452796174 236261676 /nfs/dbraw/zinc/26/16/76/236261676.db2.gz KKFMXKKHXUWEGU-SNVBAGLBSA-N 0 1 297.311 0.764 20 5 CCBDMN O=C(NCc1n[nH]c(C2CC2)n1)c1cc([N+](=O)[O-])c[nH]1 ZINC000452812099 236262906 /nfs/dbraw/zinc/26/29/06/236262906.db2.gz AIIPKCJEBONCRW-UHFFFAOYSA-N 0 1 276.256 0.848 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408375747 358061226 /nfs/dbraw/zinc/06/12/26/358061226.db2.gz LGTWCNCUAMRFJO-XPUUQOCRSA-N 0 1 268.273 0.469 20 5 CCBDMN O=C(NCCCc1nnc[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000573976866 359017529 /nfs/dbraw/zinc/01/75/29/359017529.db2.gz KRDVREHOIRPHSS-UHFFFAOYSA-N 0 1 291.267 0.781 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCN([C@H]3CCOC3)CC2)c1 ZINC000610910051 363630436 /nfs/dbraw/zinc/63/04/36/363630436.db2.gz KNAIXMFGZGWKMV-LBPRGKRZSA-N 0 1 295.343 0.198 20 5 CCBDMN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2cn[nH]c2C1 ZINC000611006319 363648410 /nfs/dbraw/zinc/64/84/10/363648410.db2.gz FGOIMYXGCSMFOC-UHFFFAOYSA-N 0 1 288.267 0.375 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCc3[nH]cnc3C2)c1[N+](=O)[O-] ZINC000590379743 359446825 /nfs/dbraw/zinc/44/68/25/359446825.db2.gz YWOZWZJUIFBXFI-UHFFFAOYSA-N 0 1 276.256 0.548 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000590379743 359446830 /nfs/dbraw/zinc/44/68/30/359446830.db2.gz YWOZWZJUIFBXFI-UHFFFAOYSA-N 0 1 276.256 0.548 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000590379743 359446834 /nfs/dbraw/zinc/44/68/34/359446834.db2.gz YWOZWZJUIFBXFI-UHFFFAOYSA-N 0 1 276.256 0.548 20 5 CCBDMN C[C@@H](CO)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000590962220 359542984 /nfs/dbraw/zinc/54/29/84/359542984.db2.gz GOWCFJNMHIQQOI-LLVKDONJSA-N 0 1 280.328 0.740 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H](O)[C@@H](CO)C1 ZINC000593037343 360018901 /nfs/dbraw/zinc/01/89/01/360018901.db2.gz XARVBEFXHRFKHP-MFKMUULPSA-N 0 1 282.296 0.476 20 5 CCBDMN CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)CO1 ZINC000593064717 360025766 /nfs/dbraw/zinc/02/57/66/360025766.db2.gz VMDHPXRFWZGXIH-KGYLQXTDSA-N 0 1 298.343 0.652 20 5 CCBDMN O=C(N[C@H](CO)CCF)c1cc(O)cc([N+](=O)[O-])c1 ZINC000593861060 360179560 /nfs/dbraw/zinc/17/95/60/360179560.db2.gz OYQXBPLLDXPHSA-QMMMGPOBSA-N 0 1 272.232 0.751 20 5 CCBDMN Cc1ccc(NC(=O)C2(O)CNC2)cc1[N+](=O)[O-] ZINC000595923706 360705113 /nfs/dbraw/zinc/70/51/13/360705113.db2.gz BFQPAMKQDUWKMM-UHFFFAOYSA-N 0 1 251.242 0.176 20 5 CCBDMN COCc1nc(CNc2ccc([N+](=O)[O-])nc2)n[nH]1 ZINC000596435781 360895257 /nfs/dbraw/zinc/89/52/57/360895257.db2.gz IPUTUKROOZUBDA-UHFFFAOYSA-N 0 1 264.245 0.866 20 5 CCBDMN COCc1nnc(CNc2ccc([N+](=O)[O-])nc2)[nH]1 ZINC000596435781 360895263 /nfs/dbraw/zinc/89/52/63/360895263.db2.gz IPUTUKROOZUBDA-UHFFFAOYSA-N 0 1 264.245 0.866 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CCC23COC3)c1[N+](=O)[O-] ZINC000597731285 361215001 /nfs/dbraw/zinc/21/50/01/361215001.db2.gz TYVQTTCLCBBANA-UHFFFAOYSA-N 0 1 280.284 0.885 20 5 CCBDMN COC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCOCC1 ZINC000597921051 361283498 /nfs/dbraw/zinc/28/34/98/361283498.db2.gz DLCPWEYXJOCKMN-SECBINFHSA-N 0 1 298.299 0.489 20 5 CCBDMN CN(Cc1cnc[nH]1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597865767 361273522 /nfs/dbraw/zinc/27/35/22/361273522.db2.gz WBAJQWAYOKLNBB-UHFFFAOYSA-N 0 1 292.299 0.908 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](CO)[C@H]2C)c1[N+](=O)[O-] ZINC000598741190 361504547 /nfs/dbraw/zinc/50/45/47/361504547.db2.gz WBUUVGSKLKDJRD-RKDXNWHRSA-N 0 1 282.300 0.859 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000598741188 361505281 /nfs/dbraw/zinc/50/52/81/361505281.db2.gz WBUUVGSKLKDJRD-DTWKUNHWSA-N 0 1 282.300 0.859 20 5 CCBDMN C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000599206772 361612552 /nfs/dbraw/zinc/61/25/52/361612552.db2.gz JIQBLDPZNUFENJ-ZCFIWIBFSA-N 0 1 274.302 0.405 20 5 CCBDMN CO[C@@H](C)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599309137 361646168 /nfs/dbraw/zinc/64/61/68/361646168.db2.gz FLAHEHPXJSWXHI-RQJHMYQMSA-N 0 1 292.317 0.030 20 5 CCBDMN CC(C)[C@@H]1C[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599328356 361654212 /nfs/dbraw/zinc/65/42/12/361654212.db2.gz ZUFJOLYFWROJGF-JGVFFNPUSA-N 0 1 288.329 0.651 20 5 CCBDMN COc1ccc(CN2C[C@@H](CO)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000599531105 361727014 /nfs/dbraw/zinc/72/70/14/361727014.db2.gz IOGHQQOVKJDKBS-RYUDHWBXSA-N 0 1 296.323 0.636 20 5 CCBDMN COc1ccc(CC(=O)N2CCNC[C@@H]2C)cc1[N+](=O)[O-] ZINC000564727385 291296473 /nfs/dbraw/zinc/29/64/73/291296473.db2.gz YHHTUUDQVPVABK-JTQLQIEISA-N 0 1 293.323 0.966 20 5 CCBDMN CCN1CCC[C@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000330671046 203099885 /nfs/dbraw/zinc/09/98/85/203099885.db2.gz ZXTSCLCZQUVNAF-VIFPVBQESA-N 0 1 281.316 0.840 20 5 CCBDMN NC(=O)[C@H]1CCCN1CCCNc1ncccc1[N+](=O)[O-] ZINC000264632096 190123926 /nfs/dbraw/zinc/12/39/26/190123926.db2.gz UEIZDYZZVYYNNX-SNVBAGLBSA-N 0 1 293.327 0.742 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459625739 249048104 /nfs/dbraw/zinc/04/81/04/249048104.db2.gz BAPIWGBGSUECMO-ZDUSSCGKSA-N 0 1 282.296 0.620 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459625739 249048105 /nfs/dbraw/zinc/04/81/05/249048105.db2.gz BAPIWGBGSUECMO-ZDUSSCGKSA-N 0 1 282.296 0.620 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](COC)C2)c1[N+](=O)[O-] ZINC000265892421 190215438 /nfs/dbraw/zinc/21/54/38/190215438.db2.gz RWBFVFNXPLXJHF-MRVPVSSYSA-N 0 1 282.300 0.989 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000266956689 190294016 /nfs/dbraw/zinc/29/40/16/190294016.db2.gz IUJYAWBUEKVEDT-UHFFFAOYSA-N 0 1 265.229 0.587 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@](C)(O)C2)c1[N+](=O)[O-] ZINC000267222415 190313235 /nfs/dbraw/zinc/31/32/35/190313235.db2.gz JCRWFFAFGJENJU-NSHDSACASA-N 0 1 268.273 0.477 20 5 CCBDMN NC(=O)[C@@]1(NCc2cc(O)ccc2[N+](=O)[O-])CCOC1 ZINC000572659407 291895077 /nfs/dbraw/zinc/89/50/77/291895077.db2.gz FUCFOGHFPTUECF-GFCCVEGCSA-N 0 1 281.268 0.034 20 5 CCBDMN CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000288463626 197084773 /nfs/dbraw/zinc/08/47/73/197084773.db2.gz OLGZDRSRHCVBTN-JTQLQIEISA-N 0 1 295.343 0.652 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000288263136 197038750 /nfs/dbraw/zinc/03/87/50/197038750.db2.gz FQXOBDFXPQKIJX-HTQZYQBOSA-N 0 1 268.273 0.612 20 5 CCBDMN Cc1c[nH]nc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000289555109 388872086 /nfs/dbraw/zinc/87/20/86/388872086.db2.gz QMVBALGZLKOVEC-UHFFFAOYSA-N 0 1 250.262 0.613 20 5 CCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000360763784 389204345 /nfs/dbraw/zinc/20/43/45/389204345.db2.gz LLVCKRCQJJVCNF-MRVPVSSYSA-N 0 1 290.283 0.859 20 5 CCBDMN COCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000340964115 389170990 /nfs/dbraw/zinc/17/09/90/389170990.db2.gz VMZSQRYYWKZNAJ-VIFPVBQESA-N 0 1 282.300 0.373 20 5 CCBDMN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](C)N1 ZINC000153554096 389303332 /nfs/dbraw/zinc/30/33/32/389303332.db2.gz RUJXIMKPRNXBPL-IUCAKERBSA-N 0 1 278.312 0.999 20 5 CCBDMN C[C@@H]1OCC[C@@]1(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345528806 389308854 /nfs/dbraw/zinc/30/88/54/389308854.db2.gz BGUVDOYMJDUBPA-QUBYGPBYSA-N 0 1 254.246 0.615 20 5 CCBDMN COc1cc(CN2CC[C@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000348193005 389369138 /nfs/dbraw/zinc/36/91/38/389369138.db2.gz YWBLGGMYWKRXRT-CYBMUJFWSA-N 0 1 295.295 0.026 20 5 CCBDMN CS[C@H](CO)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159645518 389370968 /nfs/dbraw/zinc/37/09/68/389370968.db2.gz AAVSOUPZCZJGNW-IYSWYEEDSA-N 0 1 274.302 0.160 20 5 CCBDMN Cc1cccc(C(=O)NC2(c3nn[nH]n3)CC2)c1[N+](=O)[O-] ZINC000348279140 389372828 /nfs/dbraw/zinc/37/28/28/389372828.db2.gz OVPHFYKEDVMBFC-UHFFFAOYSA-N 0 1 288.267 0.835 20 5 CCBDMN Cc1n[nH]c(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1C ZINC000269202112 389406834 /nfs/dbraw/zinc/40/68/34/389406834.db2.gz OYOYMPJRYHLCGB-UHFFFAOYSA-N 0 1 278.272 0.561 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@](C)(O)C2)c1[N+](=O)[O-] ZINC000271104902 389438878 /nfs/dbraw/zinc/43/88/78/389438878.db2.gz KZPSVHSEJUYFJM-NSHDSACASA-N 0 1 268.273 0.613 20 5 CCBDMN C[C@H](O)CN1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000276125720 389515654 /nfs/dbraw/zinc/51/56/54/389515654.db2.gz NPHKFBKKKVDQGR-UWVGGRQHSA-N 0 1 281.316 0.276 20 5 CCBDMN Cc1ncc2c(n1)CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000373936463 389529116 /nfs/dbraw/zinc/52/91/16/389529116.db2.gz HNQMWRFUNGSYNB-HOSYDEDBSA-N 0 1 276.296 0.424 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000279185723 389565502 /nfs/dbraw/zinc/56/55/02/389565502.db2.gz BZRPIULHRQZUID-SSDOTTSWSA-N 0 1 268.273 0.469 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CNC1(CO)CCCC1 ZINC000441031611 389821263 /nfs/dbraw/zinc/82/12/63/389821263.db2.gz HGEVJFODUKMYDH-UHFFFAOYSA-N 0 1 254.290 0.723 20 5 CCBDMN C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)CN1CCO ZINC000419000534 389886263 /nfs/dbraw/zinc/88/62/63/389886263.db2.gz KLPSHMGJAPBUDK-UWVGGRQHSA-N 0 1 281.316 0.276 20 5 CCBDMN C[S@@](=O)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC000438126059 390001512 /nfs/dbraw/zinc/00/15/12/390001512.db2.gz XSXUZHBTCGAICP-LJQANCHMSA-N 0 1 286.313 0.349 20 5 CCBDMN CN(Cc1ccoc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438835602 390010762 /nfs/dbraw/zinc/01/07/62/390010762.db2.gz CMJKKPKAOWORJC-LBPRGKRZSA-N 0 1 280.284 0.877 20 5 CCBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](O)[C@H](CO)C1 ZINC000459701429 390076047 /nfs/dbraw/zinc/07/60/47/390076047.db2.gz ODQBZXHGOHNZGN-GBIKHYSHSA-N 0 1 266.297 0.941 20 5 CCBDMN CCc1n[nH]c(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n1 ZINC000479170360 390081535 /nfs/dbraw/zinc/08/15/35/390081535.db2.gz UWAGMJDZWUBVSN-UHFFFAOYSA-N 0 1 279.260 0.570 20 5 CCBDMN CCc1nc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n[nH]1 ZINC000479170360 390081536 /nfs/dbraw/zinc/08/15/36/390081536.db2.gz UWAGMJDZWUBVSN-UHFFFAOYSA-N 0 1 279.260 0.570 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000554451981 390426554 /nfs/dbraw/zinc/42/65/54/390426554.db2.gz NVBRZCWBXFFHEN-YFKPBYRVSA-N 0 1 296.205 0.622 20 5 CCBDMN O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000574915493 390824264 /nfs/dbraw/zinc/82/42/64/390824264.db2.gz BONRZJPSMDWTNV-VIFPVBQESA-N 0 1 294.311 0.815 20 5 CCBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CCN1CC(C)(C)O ZINC000275509902 135108627 /nfs/dbraw/zinc/10/86/27/135108627.db2.gz MFMMUXOAWFLNKC-SNVBAGLBSA-N 0 1 295.343 0.666 20 5 CCBDMN O=C(N[C@@H]1CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356809216 144035230 /nfs/dbraw/zinc/03/52/30/144035230.db2.gz ZUBOMJKOZBLUAH-MRVPVSSYSA-N 0 1 252.226 0.819 20 5 CCBDMN CCOC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000368828030 144245892 /nfs/dbraw/zinc/24/58/92/144245892.db2.gz CXWNFCSSUBXBEG-NXEZZACHSA-N 0 1 285.300 0.342 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCCNC1=O ZINC000370002040 144286508 /nfs/dbraw/zinc/28/65/08/144286508.db2.gz MGSPOIFZFHQZEY-LLVKDONJSA-N 0 1 281.316 0.392 20 5 CCBDMN Cc1nc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])n[nH]1 ZINC000548741650 286064177 /nfs/dbraw/zinc/06/41/77/286064177.db2.gz IIBFJCNHPLLRMU-UHFFFAOYSA-N 0 1 263.217 0.081 20 5 CCBDMN Cc1c(C(=O)NCc2nn[nH]n2)cccc1[N+](=O)[O-] ZINC000044929506 411633653 /nfs/dbraw/zinc/63/36/53/411633653.db2.gz PZLVZNTULZQGDN-UHFFFAOYSA-N 0 1 262.229 0.346 20 5 CCBDMN O=c1nc(C2CCN(c3ncc([N+](=O)[O-])s3)CC2)[nH][nH]1 ZINC000285514508 196310933 /nfs/dbraw/zinc/31/09/33/196310933.db2.gz GFMNAWWEPYQFNJ-UHFFFAOYSA-N 0 1 296.312 0.847 20 5 CCBDMN CN(CC(=O)N1CCNCC1)Cc1csc([N+](=O)[O-])c1 ZINC000038031136 174024219 /nfs/dbraw/zinc/02/42/19/174024219.db2.gz LIWVPZARKPAKCN-UHFFFAOYSA-N 0 1 298.368 0.520 20 5 CCBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CNCCO1 ZINC000043800504 175106315 /nfs/dbraw/zinc/10/63/15/175106315.db2.gz HDAIHANHLRAVJW-GFCCVEGCSA-N 0 1 279.296 0.242 20 5 CCBDMN COC[C@H](NCc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000347804274 277597531 /nfs/dbraw/zinc/59/75/31/277597531.db2.gz OOXQNJKVXQEDPZ-VIFPVBQESA-N 0 1 254.290 0.843 20 5 CCBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CC(N(C)C)C2)c1 ZINC000135010776 295253258 /nfs/dbraw/zinc/25/32/58/295253258.db2.gz CLKZHVVNXGFMLN-UHFFFAOYSA-N 0 1 279.296 0.989 20 5 CCBDMN COc1cc(CNc2nc(C)n(C)n2)cc([N+](=O)[O-])c1O ZINC000427239747 533831561 /nfs/dbraw/zinc/83/15/61/533831561.db2.gz SUTPNCMGNUJREU-UHFFFAOYSA-N 0 1 293.283 0.780 20 5 CCBDMN COC(=O)N1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000495671649 533945032 /nfs/dbraw/zinc/94/50/32/533945032.db2.gz NDUDHDCIZSQCLC-UHFFFAOYSA-N 0 1 297.271 0.279 20 5 CCBDMN O=C(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCC1 ZINC000369490973 526731712 /nfs/dbraw/zinc/73/17/12/526731712.db2.gz POKNCMPJYJIXPP-UHFFFAOYSA-N 0 1 293.327 0.661 20 5 CCBDMN C[N@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000358068909 536480898 /nfs/dbraw/zinc/48/08/98/536480898.db2.gz RPMUXZQNLBMCCW-ZDUSSCGKSA-N 0 1 295.295 0.097 20 5 CCBDMN COC[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000262222327 536661848 /nfs/dbraw/zinc/66/18/48/536661848.db2.gz FTWVMHWAKOBAKE-SNVBAGLBSA-N 0 1 283.284 0.193 20 5 CCBDMN O=C(OC[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000778350430 581102990 /nfs/dbraw/zinc/10/29/90/581102990.db2.gz LFJAGJRQWIKWSE-ZETCQYMHSA-N 0 1 288.281 0.514 20 5 CCBDMN Nc1ccc(C(=O)OCCc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000735066878 581611235 /nfs/dbraw/zinc/61/12/35/581611235.db2.gz GPCVRRXHLLVXKC-UHFFFAOYSA-N 0 1 277.240 0.695 20 5 CCBDMN Nc1ccc(C(=O)OCCc2cnn[nH]2)cc1[N+](=O)[O-] ZINC000735066878 581611237 /nfs/dbraw/zinc/61/12/37/581611237.db2.gz GPCVRRXHLLVXKC-UHFFFAOYSA-N 0 1 277.240 0.695 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CCCNC(=O)C2)c1[N+](=O)[O-] ZINC000731809869 581782357 /nfs/dbraw/zinc/78/23/57/581782357.db2.gz GCQJDCJNYJZRCF-UHFFFAOYSA-N 0 1 295.299 0.233 20 5 CCBDMN O=C(O[C@@H]1CC(=O)N(C2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000762110066 581931832 /nfs/dbraw/zinc/93/18/32/581931832.db2.gz GWXFNGJSZXZFSD-MRVPVSSYSA-N 0 1 279.252 0.843 20 5 CCBDMN C[C@H]([NH2+]CC(=O)NCC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000820141917 597810365 /nfs/dbraw/zinc/81/03/65/597810365.db2.gz KTBPWDOFESJYMM-QMMMGPOBSA-N 0 1 281.268 0.446 20 5 CCBDMN O=C([O-])N1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000832015699 603707351 /nfs/dbraw/zinc/70/73/51/603707351.db2.gz VEDORDKGHPTVNT-UHFFFAOYSA-N 0 1 283.288 0.477 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(-n2cnc(-c3nn[nH]n3)n2)n1 ZINC000822271381 607024721 /nfs/dbraw/zinc/02/47/21/607024721.db2.gz YKTZXCXWGSOHRK-UHFFFAOYSA-N 0 1 273.216 0.059 20 5 CCBDMN CC(C)[C@@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)N(C)C ZINC000803493322 614079915 /nfs/dbraw/zinc/07/99/15/614079915.db2.gz LDKDVDHFZDYVQE-NSHDSACASA-N 0 1 284.316 0.921 20 5 CCBDMN COc1ccc(CN2C[C@H](CO)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000877764559 617251561 /nfs/dbraw/zinc/25/15/61/617251561.db2.gz IOGHQQOVKJDKBS-TXEJJXNPSA-N 0 1 296.323 0.636 20 5 CCBDMN CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000944807119 613819994 /nfs/dbraw/zinc/81/99/94/613819994.db2.gz SRUJPSDUTMAULW-GHMZBOCLSA-N 0 1 281.312 0.123 20 5 CCBDMN CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839699338 614004745 /nfs/dbraw/zinc/00/47/45/614004745.db2.gz WGMKQISNHIYYBA-OPRDCNLKSA-N 0 1 284.312 0.984 20 5 CCBDMN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000871537500 614005834 /nfs/dbraw/zinc/00/58/34/614005834.db2.gz BWFUJHIXNXYUPA-UTINFBMNSA-N 0 1 284.312 0.888 20 5 CCBDMN CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976494215 614338092 /nfs/dbraw/zinc/33/80/92/614338092.db2.gz RQROLAKFLJEKQE-NZFPMDFQSA-N 0 1 295.339 0.271 20 5 CCBDMN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)C(=O)OC ZINC000888608094 614506202 /nfs/dbraw/zinc/50/62/02/614506202.db2.gz KNJQBYOXJJWRPO-DJLDLDEBSA-N 0 1 258.274 0.452 20 5 CCBDMN CC1(C)[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000839690182 614863646 /nfs/dbraw/zinc/86/36/46/614863646.db2.gz HXYXXSMUKJOWEC-VPJKUYQRSA-N 0 1 268.313 0.971 20 5 CCBDMN CCOC(=O)C(C)(C)ONC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000855133800 615152351 /nfs/dbraw/zinc/15/23/51/615152351.db2.gz STEMCHCAVPTVOL-UHFFFAOYSA-N 0 1 286.244 0.321 20 5 CCBDMN CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000898551875 615366758 /nfs/dbraw/zinc/36/67/58/615366758.db2.gz FCRMUFHQCSPREF-SGIHWFKDSA-N 0 1 288.275 0.401 20 5 CCBDMN CCOC(=O)[C@H]1CSCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000907907552 615386561 /nfs/dbraw/zinc/38/65/61/615386561.db2.gz YWRIZQKIAZQCCK-BWZBUEFSSA-N 0 1 274.298 0.116 20 5 CCBDMN CCN1[C@H](C)CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000880609111 615450041 /nfs/dbraw/zinc/45/00/41/615450041.db2.gz QLPNWFQISINAEQ-PHIMTYICSA-N 0 1 295.343 0.732 20 5 CCBDMN CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)C(=O)OC ZINC000842379993 615544460 /nfs/dbraw/zinc/54/44/60/615544460.db2.gz QPAGZJFNNRWPLR-JQCXWYLXSA-N 0 1 259.258 0.783 20 5 CCBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000839762727 615560174 /nfs/dbraw/zinc/56/01/74/615560174.db2.gz UVZHOWVLWDKMHK-CIBDYWJTSA-N 0 1 274.342 0.410 20 5 CCBDMN CN(CC(F)F)C1CCN(CC[N+](=O)[O-])CC1 ZINC000930004256 616052818 /nfs/dbraw/zinc/05/28/18/616052818.db2.gz NRESATYZMMXIHK-UHFFFAOYSA-N 0 1 251.277 0.924 20 5 CCBDMN CN(CCC1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839702963 616071669 /nfs/dbraw/zinc/07/16/69/616071669.db2.gz YKHNOEPTBJDVLI-GHMZBOCLSA-N 0 1 256.302 0.927 20 5 CCBDMN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1COC[C@H]1O ZINC000886515454 616150939 /nfs/dbraw/zinc/15/09/39/616150939.db2.gz GYYQDYMUQZGQLO-FRRDWIJNSA-N 0 1 282.296 0.320 20 5 CCBDMN CN1CCCC[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000851567390 616182388 /nfs/dbraw/zinc/18/23/88/616182388.db2.gz HLYFUEREFDTTCH-OPRDCNLKSA-N 0 1 270.285 0.453 20 5 CCBDMN COC(=O)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000870704666 616275767 /nfs/dbraw/zinc/27/57/67/616275767.db2.gz CQCYNCALRHJYQE-BBBLOLIVSA-N 0 1 271.269 0.927 20 5 CCBDMN CN1C[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1=O ZINC000837417321 616282130 /nfs/dbraw/zinc/28/21/30/616282130.db2.gz UBUJBDYNNBFCMC-QMMMGPOBSA-N 0 1 294.263 0.822 20 5 CCBDMN COC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000874529564 616570145 /nfs/dbraw/zinc/57/01/45/616570145.db2.gz VQGLSDMFPJDWBB-HBNTYKKESA-N 0 1 284.312 0.843 20 5 CCBDMN COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000871555017 616572180 /nfs/dbraw/zinc/57/21/80/616572180.db2.gz YIDLEIYUJSHUJS-IVGCUFTRSA-N 0 1 268.269 0.110 20 5 CCBDMN COCCOc1ncccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840287616 616599352 /nfs/dbraw/zinc/59/93/52/616599352.db2.gz YTWOYHPWLHGWAB-GHMZBOCLSA-N 0 1 295.295 0.388 20 5 CCBDMN CNC(=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840442605 616679323 /nfs/dbraw/zinc/67/93/23/616679323.db2.gz OOSRURPZQNDAAG-GRYCIOLGSA-N 0 1 291.307 0.645 20 5 CCBDMN COC[C@@]1(CNCC[N+](=O)[O-])OCCc2ccccc21 ZINC000905262382 617045050 /nfs/dbraw/zinc/04/50/50/617045050.db2.gz WSMDAYDENPIMRV-CQSZACIVSA-N 0 1 280.324 0.967 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@](O)(C2CC2)C1 ZINC000855691118 625474062 /nfs/dbraw/zinc/47/40/62/625474062.db2.gz XVCVGJMKZWLTPU-CKYFFXLPSA-N 0 1 254.286 0.415 20 5 CCBDMN C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)C(=O)N1C ZINC000892179145 622648817 /nfs/dbraw/zinc/64/88/17/622648817.db2.gz HJFNUJCYFJSKPJ-SOYHJAILSA-N 0 1 269.301 0.118 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000892318885 622848218 /nfs/dbraw/zinc/84/82/18/622848218.db2.gz IKJQIXINBRPLPP-JQWIXIFHSA-N 0 1 295.343 0.364 20 5 CCBDMN C[C@H](CN1CCN(C)CC1)Nc1c([N+](=O)[O-])cnn1C ZINC000892401286 623155258 /nfs/dbraw/zinc/15/52/58/623155258.db2.gz CWPXTWNVJJBKSN-SNVBAGLBSA-N 0 1 282.348 0.376 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C)C(C)(C)C1 ZINC000935805739 623593727 /nfs/dbraw/zinc/59/37/27/623593727.db2.gz SZKKPCPKMMNWPD-UHFFFAOYSA-N 0 1 295.343 0.652 20 5 CCBDMN C[C@@H](COC(=O)CCCCc1cn[nH]n1)[N+](=O)[O-] ZINC000813115029 624675455 /nfs/dbraw/zinc/67/54/55/624675455.db2.gz JDHMNYCRGMGTGU-QMMMGPOBSA-N 0 1 256.262 0.726 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H]2CO)cc1 ZINC000934017907 625004019 /nfs/dbraw/zinc/00/40/19/625004019.db2.gz TXNDJVLRGRTNAY-VXGBXAGGSA-N 0 1 252.270 0.695 20 5 CCBDMN O=[N+]([O-])CCN[C@H](CO)C[C@H](O)c1ccccc1 ZINC000905364306 634854299 /nfs/dbraw/zinc/85/42/99/634854299.db2.gz DDXMJCCTKGHCOJ-RYUDHWBXSA-N 0 1 254.286 0.337 20 5 CCBDMN COc1nccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000840675322 631732485 /nfs/dbraw/zinc/73/24/85/631732485.db2.gz WVPCRNCDXJOZOP-HTQZYQBOSA-N 0 1 253.214 0.194 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000894862333 631860835 /nfs/dbraw/zinc/86/08/35/631860835.db2.gz HKVPKTHUPBKODJ-VIFPVBQESA-N 0 1 283.332 0.585 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ncccn1 ZINC000898973584 633704082 /nfs/dbraw/zinc/70/40/82/633704082.db2.gz XKEQPBXAMREJTJ-KXUCPTDWSA-N 0 1 262.269 0.805 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1C1OCCO1 ZINC000888444595 639709055 /nfs/dbraw/zinc/70/90/55/639709055.db2.gz WHXFZZHDHMYMTE-HRDYMLBCSA-N 0 1 256.258 0.016 20 5 CCBDMN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839560628 640343780 /nfs/dbraw/zinc/34/37/80/640343780.db2.gz NTRKJSJNQYCNTG-DJLDLDEBSA-N 0 1 295.261 0.652 20 5 CCBDMN C[C@@](O)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839685022 640349278 /nfs/dbraw/zinc/34/92/78/640349278.db2.gz ZRTSDWQSKJWTFN-NQBHXWOUSA-N 0 1 264.281 0.676 20 5 CCBDMN C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC[C@H]1O ZINC000839698152 640351855 /nfs/dbraw/zinc/35/18/55/640351855.db2.gz CWNQFPKJYKFZDQ-DNRKLUKYSA-N 0 1 256.302 0.709 20 5 CCBDMN O=C(NCCOc1ccc(Cl)cn1)[C@@H]1CC1[N+](=O)[O-] ZINC000839703558 640354792 /nfs/dbraw/zinc/35/47/92/640354792.db2.gz LVWQCVKLJPBJCT-RKDXNWHRSA-N 0 1 285.687 0.895 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000839708126 640357014 /nfs/dbraw/zinc/35/70/14/640357014.db2.gz DZQAXZRPXCPZGS-WRWGMCAJSA-N 0 1 268.313 0.927 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000839710266 640357287 /nfs/dbraw/zinc/35/72/87/640357287.db2.gz QWPDCBLIAYJKGG-JHEVNIALSA-N 0 1 278.308 0.760 20 5 CCBDMN O=C(NCc1ccc2c(c1)C(=O)NCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000839725473 640358351 /nfs/dbraw/zinc/35/83/51/640358351.db2.gz JDQXOCNHWGQMFB-VXGBXAGGSA-N 0 1 289.291 0.254 20 5 CCBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc(OCCO)c1 ZINC000839746288 640360559 /nfs/dbraw/zinc/36/05/59/640360559.db2.gz UMMVYGNQSJIXSZ-VXGBXAGGSA-N 0 1 280.280 0.970 20 5 CCBDMN O=C(NC[C@@H](CO)CC1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839753262 640361938 /nfs/dbraw/zinc/36/19/38/640361938.db2.gz NHVJNQUHFJNPSH-QJPTWQEYSA-N 0 1 270.329 0.957 20 5 CCBDMN CN(C[C@H](O)Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839777855 640364114 /nfs/dbraw/zinc/36/41/14/640364114.db2.gz AGJBKDQJCJSPCZ-JHJVBQTASA-N 0 1 278.308 0.714 20 5 CCBDMN O=C(OCC[C@@H]1CCNC1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000813920809 641049382 /nfs/dbraw/zinc/04/93/82/641049382.db2.gz FLKWEUAWFIIOGM-ZETCQYMHSA-N 0 1 267.241 0.606 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC(N2CCCC2)C1 ZINC000824866591 641849798 /nfs/dbraw/zinc/84/97/98/641849798.db2.gz PITBMOGLZWCLBC-UHFFFAOYSA-N 0 1 293.327 0.406 20 5 CCBDMN O=C(NC[C@H]1CC2(CO1)CCOCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000825408240 641886984 /nfs/dbraw/zinc/88/69/84/641886984.db2.gz OTCQIKDPNZNUFA-GMTAPVOTSA-N 0 1 284.312 0.354 20 5 CCBDMN O=CN1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000847371513 643511688 /nfs/dbraw/zinc/51/16/88/643511688.db2.gz VYHAZFCDLYQCLF-UHFFFAOYSA-N 0 1 293.279 0.605 20 5 CCBDMN Cc1n[nH]c(C)c1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854868655 644267119 /nfs/dbraw/zinc/26/71/19/644267119.db2.gz GYNZNHCQPPSRFY-NXEZZACHSA-N 0 1 252.274 0.350 20 5 CCBDMN NC(=O)c1ccc(F)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855339813 644305797 /nfs/dbraw/zinc/30/57/97/644305797.db2.gz WYDMJAHCFNGBMU-VXNVDRBHSA-N 0 1 267.216 0.528 20 5 CCBDMN C[C@@H](CO)[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855460457 644321645 /nfs/dbraw/zinc/32/16/45/644321645.db2.gz DPNFUAJYTJVIAU-LNFKQOIKSA-N 0 1 256.302 0.661 20 5 CCBDMN Cc1cncc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000855956357 644379111 /nfs/dbraw/zinc/37/91/11/644379111.db2.gz WSGSTVWSPKKRHW-NXEZZACHSA-N 0 1 250.258 0.109 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(NCCN2CC[C@@H](O)C2)n1 ZINC000858812538 644651238 /nfs/dbraw/zinc/65/12/38/644651238.db2.gz QNNKLIPQYFZKIV-SNVBAGLBSA-N 0 1 266.301 0.777 20 5 CCBDMN C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])COc2ccccc2O1 ZINC000862401145 644997155 /nfs/dbraw/zinc/99/71/55/644997155.db2.gz LRZYOCKLXUSYFO-RULNRJAQSA-N 0 1 292.291 0.998 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2C[C@]2(CO)C1 ZINC000878482662 646918525 /nfs/dbraw/zinc/91/85/25/646918525.db2.gz WDTIMOOWKLCPIZ-CMPLNLGQSA-N 0 1 266.301 0.414 20 5 CCBDMN C[C@H]1CN(CCO)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886238941 647927756 /nfs/dbraw/zinc/92/77/56/647927756.db2.gz MEACVSVBUXQOBK-NSHDSACASA-N 0 1 280.328 0.488 20 5 CCBDMN Cn1nccc1[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000928366025 648627038 /nfs/dbraw/zinc/62/70/38/648627038.db2.gz KOVDEIALTPYNOJ-FBIMIBRVSA-N 0 1 264.285 0.749 20 5 CCBDMN Cc1nocc1CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266272785 790375045 /nfs/dbraw/zinc/37/50/45/790375045.db2.gz BUOITUDIQDEXOG-GHMZBOCLSA-N 0 1 282.300 0.196 20 5 CCBDMN C[N@H+]1CC[C@@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1 ZINC001231070335 805721038 /nfs/dbraw/zinc/72/10/38/805721038.db2.gz TWGCHYSJYXAURX-RXMQYKEDSA-N 0 1 274.664 0.827 20 5 CCBDMN C[N@H+]1CC[C@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1 ZINC001231070339 805721238 /nfs/dbraw/zinc/72/12/38/805721238.db2.gz TWGCHYSJYXAURX-YFKPBYRVSA-N 0 1 274.664 0.827 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001122166521 799159572 /nfs/dbraw/zinc/15/95/72/799159572.db2.gz LTTXRBWHUZMBQH-CABZTGNLSA-N 0 1 279.296 0.760 20 5 CCBDMN COC(=O)[C@H]1C[C@@H]2C[C@H](OC(=O)[C@@H]3CC3[N+](=O)[O-])[C@@H]2C1 ZINC001123370004 799399334 /nfs/dbraw/zinc/39/93/34/799399334.db2.gz XARDVCCHRUUNSC-ZFIOGYDESA-N 0 1 283.280 0.783 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2cccc([N+](=O)[O-])n2)S1 ZINC001155837466 801062253 /nfs/dbraw/zinc/06/22/53/801062253.db2.gz NDWSXPGNGCJTES-ZETCQYMHSA-N 0 1 254.227 0.711 20 5 CCBDMN C[C@@H](O)C(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001158330321 801621957 /nfs/dbraw/zinc/62/19/57/801621957.db2.gz YMOLOSQZGISONX-ZCFIWIBFSA-N 0 1 256.262 0.455 20 5 CCBDMN CN(C1CN(c2cc(N)c([N+](=O)[O-])cn2)C1)[C@H]1CCOC1 ZINC001158731747 801695226 /nfs/dbraw/zinc/69/52/26/801695226.db2.gz XGUCICZKNYGQSI-VIFPVBQESA-N 0 1 293.327 0.481 20 5 CCBDMN O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3COCCN3)c21 ZINC001159046509 801749983 /nfs/dbraw/zinc/74/99/83/801749983.db2.gz KRDFOSAQWCIKBO-SECBINFHSA-N 0 1 289.295 0.938 20 5 CCBDMN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncc([N+](=O)[O-])c(C)n1 ZINC001159302550 801788040 /nfs/dbraw/zinc/78/80/40/801788040.db2.gz LJSFKIDQROCNDH-UHFFFAOYSA-N 0 1 278.272 0.394 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NC(C)(C)c1c[nH]nn1 ZINC001161451141 802155305 /nfs/dbraw/zinc/15/53/05/802155305.db2.gz NIGGUGJSYOHEPI-UHFFFAOYSA-N 0 1 293.287 0.269 20 5 CCBDMN CCOC(=O)c1c(CN)ncn1-c1nccnc1[N+](=O)[O-] ZINC001162532528 802361210 /nfs/dbraw/zinc/36/12/10/802361210.db2.gz TWMZCMBYHJZARU-UHFFFAOYSA-N 0 1 292.255 0.206 20 5 CCBDMN Cc1nnc(CN)n1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001163346961 802540623 /nfs/dbraw/zinc/54/06/23/802540623.db2.gz WROSVUHNMJTTDJ-UHFFFAOYSA-N 0 1 285.267 0.886 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2cnc([N+](=O)[O-])cn2)S1 ZINC001163671409 802588399 /nfs/dbraw/zinc/58/83/99/802588399.db2.gz DVSDPRDFFADTGI-LURJTMIESA-N 0 1 255.215 0.106 20 5 CCBDMN Nc1ccnc(NCCNC(=O)C(F)(F)F)c1[N+](=O)[O-] ZINC001164244034 802696591 /nfs/dbraw/zinc/69/65/91/802696591.db2.gz QURJFADVHXTUKL-UHFFFAOYSA-N 0 1 293.205 0.662 20 5 CCBDMN COCc1nn(-c2cccc([N+](=O)[O-])n2)c2c1CNC2 ZINC001165631659 802856903 /nfs/dbraw/zinc/85/69/03/802856903.db2.gz DNIUEXUYFXYKBL-UHFFFAOYSA-N 0 1 275.268 0.925 20 5 CCBDMN Cc1ncc([N+](=O)[O-])c(N2CC[C@H](N)C(F)(F)C2)n1 ZINC001166960425 802995099 /nfs/dbraw/zinc/99/50/99/802995099.db2.gz IRGMNPNZFKPDJR-QMMMGPOBSA-N 0 1 273.243 0.866 20 5 CCBDMN COC(=O)NC1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC001255046742 808313140 /nfs/dbraw/zinc/31/31/40/808313140.db2.gz OJNPXDDPFHCMBK-UHFFFAOYSA-N 0 1 295.251 0.481 20 5 CCBDMN O=C([C@H]1CNCCO1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261458493 808983754 /nfs/dbraw/zinc/98/37/54/808983754.db2.gz AFJYJVOEJLCNLS-GFCCVEGCSA-N 0 1 277.280 0.425 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1nccc(N)c1[N+](=O)[O-] ZINC001167672897 811146950 /nfs/dbraw/zinc/14/69/50/811146950.db2.gz AADWMDCLTYWVRI-UHFFFAOYSA-N 0 1 275.272 0.004 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000692210711 812336763 /nfs/dbraw/zinc/33/67/63/812336763.db2.gz BVFHUXJWTDSJQH-UHFFFAOYSA-N 0 1 278.312 0.811 20 5 CCBDMN O=C(NCC1CN(Cc2ccsc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662755 817229045 /nfs/dbraw/zinc/22/90/45/817229045.db2.gz LINIODNMHMMWMV-VXGBXAGGSA-N 0 1 295.364 0.961 20 5 CCBDMN O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000705368869 819501477 /nfs/dbraw/zinc/50/14/77/819501477.db2.gz GSFVQCMAUUKORC-TXEJJXNPSA-N 0 1 266.297 0.627 20 5 CCBDMN O=[N+]([O-])c1ccccc1CN1C[C@H](CO)[C@H](CO)C1 ZINC000705368869 819501483 /nfs/dbraw/zinc/50/14/83/819501483.db2.gz GSFVQCMAUUKORC-TXEJJXNPSA-N 0 1 266.297 0.627 20 5 CCBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC3(C2)CS(=O)C3)C1 ZINC001169011530 836099386 /nfs/dbraw/zinc/09/93/86/836099386.db2.gz KPBBWZMRMJNXPX-ZJUUUORDSA-N 0 1 258.343 0.496 20 5 CCBDMN O=C1OC[C@H]2CN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CCN12 ZINC001169033234 836108711 /nfs/dbraw/zinc/10/87/11/836108711.db2.gz BMQANXCZVCMXQN-GARJFASQSA-N 0 1 269.301 0.568 20 5 CCBDMN COC(=O)C[C@H]1COCCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035489 836110616 /nfs/dbraw/zinc/11/06/16/836110616.db2.gz BLOPGOZOHVUFCG-UTUOFQBUSA-N 0 1 286.328 0.696 20 5 CCBDMN COC[C@@H]1COCCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169043822 836113835 /nfs/dbraw/zinc/11/38/35/836113835.db2.gz HXZDSXNUIRKMQB-SDDRHHMPSA-N 0 1 258.318 0.779 20 5 CCBDMN COCCOC1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169050530 836116968 /nfs/dbraw/zinc/11/69/68/836116968.db2.gz BHXKATVVWBMZOU-WDEREUQCSA-N 0 1 258.318 0.779 20 5 CCBDMN COc1ccc([N+](=O)[O-])nc1-n1[n-]c(=O)c(CC[NH3+])c1C ZINC001170338987 837320947 /nfs/dbraw/zinc/32/09/47/837320947.db2.gz CIASPZDAHPOOIK-UHFFFAOYSA-N 0 1 293.283 0.699 20 5 CCBDMN Cc1cc(-n2nnnc2CN)nc2ccc([N+](=O)[O-])cc12 ZINC001158074863 837911880 /nfs/dbraw/zinc/91/18/80/837911880.db2.gz MXPPLAOEPDVFOR-UHFFFAOYSA-N 0 1 285.267 0.886 20 5 CCBDMN CC[C@](N)(CO)Nc1cc([N+](=O)[O-])ccc1C(=O)OC ZINC001170864817 839457790 /nfs/dbraw/zinc/45/77/90/839457790.db2.gz IUJBUIIRWNJMLC-GFCCVEGCSA-N 0 1 283.284 0.851 20 5 CCBDMN CC[C@@](N)(CO)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001170866770 839467951 /nfs/dbraw/zinc/46/79/51/839467951.db2.gz YSKKDJFOHBVQKO-LBPRGKRZSA-N 0 1 283.284 0.851 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2nnc[nH]2)n1 ZINC001148400036 840801431 /nfs/dbraw/zinc/80/14/31/840801431.db2.gz GLHHOVLHTNVIBI-ZETCQYMHSA-N 0 1 291.271 0.424 20 5 CCBDMN Cc1cnc(NCCNC(=O)c2ncn[nH]2)c([N+](=O)[O-])c1 ZINC001093793312 841460216 /nfs/dbraw/zinc/46/02/16/841460216.db2.gz NFAUADUVWLHTME-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN Cc1cnc(NCCNC(=O)c2nc[nH]n2)c([N+](=O)[O-])c1 ZINC001093793312 841460217 /nfs/dbraw/zinc/46/02/17/841460217.db2.gz NFAUADUVWLHTME-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(C(N)=O)C1 ZINC001173235395 842023576 /nfs/dbraw/zinc/02/35/76/842023576.db2.gz WNKKMHPJRZSQIJ-VIFPVBQESA-N 0 1 263.297 0.943 20 5 CCBDMN CN1CCN(c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000687589679 849110738 /nfs/dbraw/zinc/11/07/38/849110738.db2.gz ZXIPUTCWJQYSRO-LBPRGKRZSA-N 0 1 251.286 0.708 20 5 CCBDMN Nc1ccc(C(=O)NCCCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000080633231 849195777 /nfs/dbraw/zinc/19/57/77/849195777.db2.gz IKAQCLXNMRAQBA-UHFFFAOYSA-N 0 1 290.283 0.658 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCF)C1 ZINC001042705665 850740226 /nfs/dbraw/zinc/74/02/26/850740226.db2.gz WYLULFLWHNUUTL-NXEZZACHSA-N 0 1 259.281 0.154 20 5 CCBDMN O=C(NCc1cccc(=O)[nH]1)c1n[nH]cc1[N+](=O)[O-] ZINC001116486462 855775642 /nfs/dbraw/zinc/77/56/42/855775642.db2.gz IGUYLCDWRSGHBP-UHFFFAOYSA-N 0 1 263.213 0.349 20 5 CCBDMN CN1CC2(C1)CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])C2 ZINC001118696310 856399445 /nfs/dbraw/zinc/39/94/45/856399445.db2.gz AWLDSZCSOUMHGH-UHFFFAOYSA-N 0 1 265.273 0.096 20 5 CCBDMN CNC(=O)C1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001323847178 912546553 /nfs/dbraw/zinc/54/65/53/912546553.db2.gz WAQLIUCZRZRATK-UHFFFAOYSA-N 0 1 295.299 0.353 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](n3cncn3)C2)c1[N+](=O)[O-] ZINC001325852058 913605105 /nfs/dbraw/zinc/60/51/05/913605105.db2.gz QSNQBTVWGHYHGS-MRVPVSSYSA-N 0 1 291.271 0.305 20 5 CCBDMN CCN(CCNC(=O)C1CC=CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496690793 893720294 /nfs/dbraw/zinc/72/02/94/893720294.db2.gz BCONYMUULHTJAP-VXGBXAGGSA-N 0 1 295.339 0.583 20 5 CCBDMN C[C@@H]1C[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)O1 ZINC001299455960 901007174 /nfs/dbraw/zinc/00/71/74/901007174.db2.gz JJUDFWCPMZTEOS-CSMHCCOUSA-N 0 1 268.273 0.861 20 5 CCBDMN CCN1CCN(C2CN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC001337278567 921227875 /nfs/dbraw/zinc/22/78/75/921227875.db2.gz IRXHINDKWNKANM-UHFFFAOYSA-N 0 1 291.355 0.816 20 5 CCBDMN O=C(Nn1cnnc1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001295646701 906780416 /nfs/dbraw/zinc/78/04/16/906780416.db2.gz HYROTOOBAGGLFN-UHFFFAOYSA-N 0 1 299.250 0.960 20 5 CCBDMN CC(C)(F)C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298216206 907185095 /nfs/dbraw/zinc/18/50/95/907185095.db2.gz DRWSTHMDTQOCGE-HUGTUPKYSA-N 0 1 287.291 0.188 20 5 CCBDMN O=C(CCCF)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298396497 907235094 /nfs/dbraw/zinc/23/50/94/907235094.db2.gz JNXGYLMSQCLZFU-UFLMBTITSA-N 0 1 287.291 0.190 20 5 CCBDMN O=C(N[C@H](c1ncccn1)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001303909414 908126881 /nfs/dbraw/zinc/12/68/81/908126881.db2.gz MXRPDSUNKSLSAG-VIFPVBQESA-N 0 1 288.267 0.989 20 5 CCBDMN O=C(N[C@@H]1CN2CCC1CC2)c1ccc([N+](=O)[O-])[nH]1 ZINC001339140842 921663306 /nfs/dbraw/zinc/66/33/06/921663306.db2.gz KCLJTSDGTIAOIS-SNVBAGLBSA-N 0 1 264.285 0.747 20 5 CCBDMN CC(C)(C)[C@@H]1CNC(=O)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001340883070 922256916 /nfs/dbraw/zinc/25/69/16/922256916.db2.gz WJVVSZYAGBAUBV-HLTSFMKQSA-N 0 1 269.301 0.025 20 5 CCBDMN CN1CCN(C(C)(C)CNc2ccncc2[N+](=O)[O-])CC1 ZINC001342821071 923098681 /nfs/dbraw/zinc/09/86/81/923098681.db2.gz QRSLHABSRUXYDW-UHFFFAOYSA-N 0 1 293.371 0.850 20 5 CCBDMN COC[C@H]1CNCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001345645327 923937470 /nfs/dbraw/zinc/93/74/70/923937470.db2.gz BKCIVVLULLRRSY-GFCCVEGCSA-N 0 1 293.323 0.584 20 5 CCBDMN CCC1(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001357808481 926599694 /nfs/dbraw/zinc/59/96/94/926599694.db2.gz LDQBONXJCCZZNM-YIZUVKHSSA-N 0 1 295.339 0.630 20 5 CCBDMN Cc1cc(C(=O)N2CCNC[C@H]2CO)ccc1[N+](=O)[O-] ZINC001358035944 926624147 /nfs/dbraw/zinc/62/41/47/926624147.db2.gz IFULYIQFHGJMIW-NSHDSACASA-N 0 1 279.296 0.310 20 5 CCBDMN CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001360506634 926947943 /nfs/dbraw/zinc/94/79/43/926947943.db2.gz HHLZXAREBIFYSA-AXTSPUMRSA-N 0 1 290.341 0.124 20 5 CCBDMN Cn1cc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])n1 ZINC001600951698 970886440 /nfs/dbraw/zinc/88/64/40/970886440.db2.gz NMMDGPMEQLMGQU-SECBINFHSA-N 0 1 268.273 0.767 20 5 CCBDMN C[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001589355843 954141093 /nfs/dbraw/zinc/14/10/93/954141093.db2.gz VSKXGQVBJUGTBP-RKDXNWHRSA-N 0 1 268.273 0.791 20 5 CCBDMN C[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001589355843 954141097 /nfs/dbraw/zinc/14/10/97/954141097.db2.gz VSKXGQVBJUGTBP-RKDXNWHRSA-N 0 1 268.273 0.791 20 5 CCBDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001594219195 959353262 /nfs/dbraw/zinc/35/32/62/959353262.db2.gz GTJBFQMFLSUHNR-FBIMIBRVSA-N 0 1 298.299 0.090 20 5 CCBDMN O=C([O-])[C@H]1C[C@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000401908871 973521842 /nfs/dbraw/zinc/52/18/42/973521842.db2.gz JHVLBBKJTQZBSU-JQWIXIFHSA-N 0 1 280.280 0.862 20 5 CCBDMN CN(CC[N@@H+](C)CCO)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001598496433 992370125 /nfs/dbraw/zinc/37/01/25/992370125.db2.gz IVAIYPIAQHSPBY-UHFFFAOYSA-N 0 1 298.299 0.048 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC001599622492 994102844 /nfs/dbraw/zinc/10/28/44/994102844.db2.gz PQPBCIQXSZLATP-CYBMUJFWSA-N 0 1 296.279 0.625 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC001599622492 994102848 /nfs/dbraw/zinc/10/28/48/994102848.db2.gz PQPBCIQXSZLATP-CYBMUJFWSA-N 0 1 296.279 0.625 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CN(C)CCN1C ZINC000091554594 349467729 /nfs/dbraw/zinc/46/77/29/349467729.db2.gz PFSMJRDIUAIDCB-LLVKDONJSA-N 0 1 296.375 0.777 20 5 CCBDMN C[C@H]1CO[C@@H](CO)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092041282 349481391 /nfs/dbraw/zinc/48/13/91/349481391.db2.gz MIDMGXOKIHHGCJ-JOYOIKCWSA-N 0 1 282.296 0.882 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+](CCO)CCCO ZINC000093323763 349538470 /nfs/dbraw/zinc/53/84/70/349538470.db2.gz FLDPXICPCZKXCD-UHFFFAOYSA-N 0 1 270.285 0.477 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+](CCO)CCCO ZINC000093323763 349538472 /nfs/dbraw/zinc/53/84/72/349538472.db2.gz FLDPXICPCZKXCD-UHFFFAOYSA-N 0 1 270.285 0.477 20 5 CCBDMN Cc1nnc(NC(=O)CCn2cc([N+](=O)[O-])cn2)[nH]1 ZINC000103257567 349693861 /nfs/dbraw/zinc/69/38/61/349693861.db2.gz SZXCGMDYGBGOAW-UHFFFAOYSA-N 0 1 265.233 0.247 20 5 CCBDMN O=C(NCC1COC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600568419 362010226 /nfs/dbraw/zinc/01/02/26/362010226.db2.gz BUEISVSIAXOUEG-UHFFFAOYSA-N 0 1 252.226 0.677 20 5 CCBDMN O=C(N[C@@H]1CCN(C2CCC2)C1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600815501 362068531 /nfs/dbraw/zinc/06/85/31/362068531.db2.gz VMOBNHKAADVMME-MRVPVSSYSA-N 0 1 293.283 0.201 20 5 CCBDMN C[C@@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000601782653 362390489 /nfs/dbraw/zinc/39/04/89/362390489.db2.gz ZBNOQWHIWSNBJX-HZMBPMFUSA-N 0 1 295.339 0.869 20 5 CCBDMN O=C(N[C@]1(CO)CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000358379843 232092225 /nfs/dbraw/zinc/09/22/25/232092225.db2.gz FSZCATDSSMHWPY-LBPRGKRZSA-N 0 1 282.252 0.182 20 5 CCBDMN C[C@@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CNCCO1 ZINC000602445582 362621490 /nfs/dbraw/zinc/62/14/90/362621490.db2.gz RIEMBWDLZBFVRK-AWEZNQCLSA-N 0 1 293.323 0.632 20 5 CCBDMN C[C@@H](O)[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602605684 362709816 /nfs/dbraw/zinc/70/98/16/362709816.db2.gz JWRMUUHOGWUNML-BDAKNGLRSA-N 0 1 254.290 0.531 20 5 CCBDMN CN1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000602713973 362765026 /nfs/dbraw/zinc/76/50/26/362765026.db2.gz DNORMAWTSLVBNK-CQSZACIVSA-N 0 1 279.340 0.746 20 5 CCBDMN CCO[C@H]1COCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602821010 362819179 /nfs/dbraw/zinc/81/91/79/362819179.db2.gz VTGSXNGKXLQSDQ-MNOVXSKESA-N 0 1 284.316 0.612 20 5 CCBDMN CC[C@@]1(NCc2cn(C)nc2[N+](=O)[O-])CCOC1 ZINC000602833428 362825613 /nfs/dbraw/zinc/82/56/13/362825613.db2.gz ZGNOUXLPMAOOHS-LLVKDONJSA-N 0 1 254.290 0.987 20 5 CCBDMN COC[C@@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000262232105 137032549 /nfs/dbraw/zinc/03/25/49/137032549.db2.gz GYXGEFRCRKWVEV-SNVBAGLBSA-N 0 1 267.285 0.227 20 5 CCBDMN O=C(NCCc1ccncc1)c1n[nH]cc1[N+](=O)[O-] ZINC000343237220 137121631 /nfs/dbraw/zinc/12/16/31/137121631.db2.gz YSIOXMPRSVLFID-UHFFFAOYSA-N 0 1 261.241 0.685 20 5 CCBDMN C[C@@H](O)C[C@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343961239 137170298 /nfs/dbraw/zinc/17/02/98/137170298.db2.gz SZRVKHBGHVFEJF-NKWVEPMBSA-N 0 1 256.262 0.455 20 5 CCBDMN Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cn(C)c1=O ZINC000344175188 137181766 /nfs/dbraw/zinc/18/17/66/137181766.db2.gz PINDKHQHGZAKSX-UHFFFAOYSA-N 0 1 277.240 0.577 20 5 CCBDMN Cn1c(C(=O)N2CCc3[nH]nnc3C2)ccc1[N+](=O)[O-] ZINC000345955060 137261867 /nfs/dbraw/zinc/26/18/67/137261867.db2.gz UVZMSVYHLMIUFH-UHFFFAOYSA-N 0 1 276.256 0.250 20 5 CCBDMN CN(C)C(=O)CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963468 362910548 /nfs/dbraw/zinc/91/05/48/362910548.db2.gz VZSSLVXAOLTFHR-AWEZNQCLSA-N 0 1 295.339 0.870 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000080525520 349216020 /nfs/dbraw/zinc/21/60/20/349216020.db2.gz IEFFYPRYNSEUJL-UHFFFAOYSA-N 0 1 275.268 0.914 20 5 CCBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCN1 ZINC000088058992 349354832 /nfs/dbraw/zinc/35/48/32/349354832.db2.gz LMXTXISERYMDJU-MRVPVSSYSA-N 0 1 252.274 0.367 20 5 CCBDMN CC(C)[C@@H](O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000124645948 350104370 /nfs/dbraw/zinc/10/43/70/350104370.db2.gz DGKDRJKHGHFCQW-QMMMGPOBSA-N 0 1 256.262 0.455 20 5 CCBDMN C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000106364660 186110651 /nfs/dbraw/zinc/11/06/51/186110651.db2.gz NUZIBHXSQUNCQX-SECBINFHSA-N 0 1 294.311 0.862 20 5 CCBDMN O=C(NCCc1ccco1)c1n[nH]cc1[N+](=O)[O-] ZINC000160547889 350703350 /nfs/dbraw/zinc/70/33/50/350703350.db2.gz ZWBPQBRAGSPKGP-UHFFFAOYSA-N 0 1 250.214 0.883 20 5 CCBDMN COc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000159427559 350678953 /nfs/dbraw/zinc/67/89/53/350678953.db2.gz NQWNVRCTVJGGQV-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN COC[C@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167829168 350814878 /nfs/dbraw/zinc/81/48/78/350814878.db2.gz MVRCGTWAKWZZKL-KCJUWKMLSA-N 0 1 267.285 0.746 20 5 CCBDMN C[C@@H](O)C[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000174849118 351107911 /nfs/dbraw/zinc/10/79/11/351107911.db2.gz CLJALXWTENJOEW-VXGBXAGGSA-N 0 1 297.359 0.178 20 5 CCBDMN CCCCN(CCn1ccc([N+](=O)[O-])n1)CC(N)=O ZINC000176209042 351161231 /nfs/dbraw/zinc/16/12/31/351161231.db2.gz DQHJPUDKEJJFFW-UHFFFAOYSA-N 0 1 269.305 0.379 20 5 CCBDMN CN(C)CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185887564 351463508 /nfs/dbraw/zinc/46/35/08/351463508.db2.gz NEQVPQVTZNPVBT-UHFFFAOYSA-N 0 1 287.341 0.777 20 5 CCBDMN C[NH2+]CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123481977 187094544 /nfs/dbraw/zinc/09/45/44/187094544.db2.gz AQRPRIZSPUHKGD-UHFFFAOYSA-N 0 1 277.277 0.232 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1ccc([N+](=O)[O-])s1 ZINC000236408884 352194269 /nfs/dbraw/zinc/19/42/69/352194269.db2.gz QRQSTOYIJNTUNH-ZETCQYMHSA-N 0 1 271.298 0.375 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC(O)C2)c1[N+](=O)[O-] ZINC000269539346 352841420 /nfs/dbraw/zinc/84/14/20/352841420.db2.gz UXAADOPJSZFSKI-UHFFFAOYSA-N 0 1 254.246 0.258 20 5 CCBDMN CNC(=O)CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272637392 353081507 /nfs/dbraw/zinc/08/15/07/353081507.db2.gz YBEFQXGNACSLGD-UHFFFAOYSA-N 0 1 267.241 0.118 20 5 CCBDMN COCCN(CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153932375 188112345 /nfs/dbraw/zinc/11/23/45/188112345.db2.gz YHYBEPRYYYEGKU-ZDUSSCGKSA-N 0 1 284.312 0.569 20 5 CCBDMN C[N@H+]1CC=C(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000278070094 353280965 /nfs/dbraw/zinc/28/09/65/353280965.db2.gz OAUVJEKLCNOPKJ-UHFFFAOYSA-N 0 1 292.295 0.687 20 5 CCBDMN C[N@@H+]1CC=C(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000278070094 353280969 /nfs/dbraw/zinc/28/09/69/353280969.db2.gz OAUVJEKLCNOPKJ-UHFFFAOYSA-N 0 1 292.295 0.687 20 5 CCBDMN CC(C)[C@@H](CCO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000156817462 188282865 /nfs/dbraw/zinc/28/28/65/188282865.db2.gz BRSHGGDCFPJBBB-SSDOTTSWSA-N 0 1 256.262 0.455 20 5 CCBDMN CN(C)C1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000158404461 188373993 /nfs/dbraw/zinc/37/39/93/188373993.db2.gz RTCVROFXXDJZDE-UHFFFAOYSA-N 0 1 263.297 0.910 20 5 CCBDMN C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)N1C ZINC000293951350 353854256 /nfs/dbraw/zinc/85/42/56/353854256.db2.gz KCGOECWNBNARAK-PHIMTYICSA-N 0 1 295.343 0.732 20 5 CCBDMN CC[C@@H](CCO)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000305754632 354160183 /nfs/dbraw/zinc/16/01/83/354160183.db2.gz WLKVOUHUXIHZFR-ZETCQYMHSA-N 0 1 256.262 0.456 20 5 CCBDMN O=C(NC[C@@H]1CCCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000330532803 354396802 /nfs/dbraw/zinc/39/68/02/354396802.db2.gz NWMXIFJFRVWVCO-ZETCQYMHSA-N 0 1 254.246 0.617 20 5 CCBDMN C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C(=O)[O-] ZINC000424260162 235191244 /nfs/dbraw/zinc/19/12/44/235191244.db2.gz AXEKZQBHHGCOFZ-GXSJLCMTSA-N 0 1 282.300 0.976 20 5 CCBDMN COC(=O)[C@@]1(NCc2cc(O)ccc2[N+](=O)[O-])CCOC1 ZINC000339060256 355478937 /nfs/dbraw/zinc/47/89/37/355478937.db2.gz IAFMGQJXPAIHIY-CYBMUJFWSA-N 0 1 296.279 0.722 20 5 CCBDMN CSc1n[nH]c(NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000340264754 355541092 /nfs/dbraw/zinc/54/10/92/355541092.db2.gz BREWVMFSMRRPHA-UHFFFAOYSA-N 0 1 283.273 0.270 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000352818410 356089763 /nfs/dbraw/zinc/08/97/63/356089763.db2.gz LFVFPPFGSUJLCH-XPUUQOCRSA-N 0 1 295.299 0.352 20 5 CCBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1cc([N+](=O)[O-])n[nH]1 ZINC000353088140 356154951 /nfs/dbraw/zinc/15/49/51/356154951.db2.gz RUUNZOGOQOWVAL-UHFFFAOYSA-N 0 1 299.250 0.573 20 5 CCBDMN CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1C ZINC000354429725 356412237 /nfs/dbraw/zinc/41/22/37/356412237.db2.gz MXGJHWRCCJBGGK-BDAKNGLRSA-N 0 1 281.316 0.873 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000609345076 363491277 /nfs/dbraw/zinc/49/12/77/363491277.db2.gz VOHDBEHKRBHGNP-VIFPVBQESA-N 0 1 293.327 0.603 20 5 CCBDMN O=C(NCc1nnc[nH]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609526300 363502701 /nfs/dbraw/zinc/50/27/01/363502701.db2.gz NZAWPECIUWLLFR-UHFFFAOYSA-N 0 1 291.223 0.372 20 5 CCBDMN CC(C)(CO)N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610479273 363563366 /nfs/dbraw/zinc/56/33/66/363563366.db2.gz VQICHNKQBDKPQI-UHFFFAOYSA-N 0 1 280.328 0.883 20 5 CCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]nnc2C1 ZINC000359753112 356884042 /nfs/dbraw/zinc/88/40/42/356884042.db2.gz IMCUQEMEACBJEN-UHFFFAOYSA-N 0 1 287.279 0.840 20 5 CCBDMN O=C(NC[C@H](CO)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000359819828 356903048 /nfs/dbraw/zinc/90/30/48/356903048.db2.gz IYJBSLABHZIUEX-SSDOTTSWSA-N 0 1 254.246 0.066 20 5 CCBDMN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCn1ccc([N+](=O)[O-])n1 ZINC000364962153 357133822 /nfs/dbraw/zinc/13/38/22/357133822.db2.gz SCTNWFRFLRMNAH-SCVCMEIPSA-N 0 1 293.327 0.377 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](O)C[C@@H]1CO ZINC000376296485 357454234 /nfs/dbraw/zinc/45/42/34/357454234.db2.gz PUSPIEKCVLGYRG-OLZOCXBDSA-N 0 1 266.297 0.831 20 5 CCBDMN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1C ZINC000408072199 357903079 /nfs/dbraw/zinc/90/30/79/357903079.db2.gz NAOGARXFCCYALM-HTQZYQBOSA-N 0 1 267.289 0.530 20 5 CCBDMN O=C(N[C@H]1CCCN(CCCO)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000452790970 236261771 /nfs/dbraw/zinc/26/17/71/236261771.db2.gz CQPWKTGHTKZQJT-JTQLQIEISA-N 0 1 296.327 0.500 20 5 CCBDMN Cc1nc(NCCN2CCCOCC2)ncc1[N+](=O)[O-] ZINC000294860367 199217871 /nfs/dbraw/zinc/21/78/71/199217871.db2.gz CYRODVCOVJHKEF-UHFFFAOYSA-N 0 1 281.316 0.827 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1nn[nH]n1 ZINC000531097453 358441233 /nfs/dbraw/zinc/44/12/33/358441233.db2.gz XFHAFYDTLXCCKD-UHFFFAOYSA-N 0 1 279.260 0.112 20 5 CCBDMN Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000610773027 363612922 /nfs/dbraw/zinc/61/29/22/363612922.db2.gz KIHCRGPKOJSTCC-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@H]1[NH3+] ZINC000568998849 358725005 /nfs/dbraw/zinc/72/50/05/358725005.db2.gz HUXCLWVNWCKXKJ-OIBJUYFYSA-N 0 1 280.284 0.505 20 5 CCBDMN COc1ccc(CC(=O)N2CCNC[C@H]2C)cc1[N+](=O)[O-] ZINC000570800700 358896144 /nfs/dbraw/zinc/89/61/44/358896144.db2.gz YHHTUUDQVPVABK-SNVBAGLBSA-N 0 1 293.323 0.966 20 5 CCBDMN C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])cn1C)c1nn[nH]n1 ZINC000582276048 359128736 /nfs/dbraw/zinc/12/87/36/359128736.db2.gz JDKDXSBQTGLXEE-ZETCQYMHSA-N 0 1 293.287 0.322 20 5 CCBDMN CCc1nc(CNC(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000584820521 359211463 /nfs/dbraw/zinc/21/14/63/359211463.db2.gz YMZZLSOBSAEYEO-UHFFFAOYSA-N 0 1 276.256 0.600 20 5 CCBDMN CN1CCO[C@@H]2CCN(c3ccncc3[N+](=O)[O-])C[C@H]21 ZINC000585782190 359272639 /nfs/dbraw/zinc/27/26/39/359272639.db2.gz USSFGAYQHVORFR-CHWSQXEVSA-N 0 1 278.312 0.899 20 5 CCBDMN CCN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@H]1C ZINC000611100407 363659066 /nfs/dbraw/zinc/65/90/66/363659066.db2.gz BFTBONAMMRVTND-SECBINFHSA-N 0 1 294.311 0.862 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H](C)[NH2+]1 ZINC000563101026 291193092 /nfs/dbraw/zinc/19/30/92/291193092.db2.gz OOZQOHRPHFYXLT-OCAPTIKFSA-N 0 1 280.284 0.518 20 5 CCBDMN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[NH2+]1 ZINC000592332272 359819399 /nfs/dbraw/zinc/81/93/99/359819399.db2.gz JSRKQBOPWPJXAG-HTQZYQBOSA-N 0 1 280.284 0.566 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000611234046 363690132 /nfs/dbraw/zinc/69/01/32/363690132.db2.gz QKULSPQBGDDGMR-MRVPVSSYSA-N 0 1 279.300 0.295 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)C[C@@H]2COC)c1[N+](=O)[O-] ZINC000593816586 360167009 /nfs/dbraw/zinc/16/70/09/360167009.db2.gz MBFNGTBCGRCTGO-HTQZYQBOSA-N 0 1 298.299 0.102 20 5 CCBDMN O=C(c1csc([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594394174 360291454 /nfs/dbraw/zinc/29/14/54/360291454.db2.gz UNFQGMMFHNNMJO-VHSXEESVSA-N 0 1 297.336 0.547 20 5 CCBDMN O=C([O-])C12CC(C1)C[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000594734439 360370089 /nfs/dbraw/zinc/37/00/89/360370089.db2.gz ZSIKCOPVKWYHCR-UHFFFAOYSA-N 0 1 266.257 0.340 20 5 CCBDMN C[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)(C)O ZINC000594760969 360378417 /nfs/dbraw/zinc/37/84/17/360378417.db2.gz AMYGLTIKKVEDEK-ZETCQYMHSA-N 0 1 289.313 0.428 20 5 CCBDMN Cc1noc(CS(=O)(=O)c2ncc[nH]2)c1[N+](=O)[O-] ZINC000596021534 360776947 /nfs/dbraw/zinc/77/69/47/360776947.db2.gz GVEWQCZXYSVPQK-UHFFFAOYSA-N 0 1 272.242 0.588 20 5 CCBDMN Nc1ccc(NCc2n[nH]c(C3CC3)n2)nc1[N+](=O)[O-] ZINC000596250480 360853582 /nfs/dbraw/zinc/85/35/82/360853582.db2.gz QLUAZWCHMPLYBN-UHFFFAOYSA-N 0 1 275.272 0.602 20 5 CCBDMN CS[C@@H](C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599266672 361626833 /nfs/dbraw/zinc/62/68/33/361626833.db2.gz PAYQGALZEBKBDR-LURJTMIESA-N 0 1 294.358 0.358 20 5 CCBDMN C[C@@H](C(=O)NCc1nn[nH]n1)c1ccc([N+](=O)[O-])cc1F ZINC000612544510 363954943 /nfs/dbraw/zinc/95/49/43/363954943.db2.gz REIGGSSUMBPVPR-ZCFIWIBFSA-N 0 1 294.246 0.667 20 5 CCBDMN CC1(C)CN(c2ccc([N+](=O)[O-])nc2)CCN1CCO ZINC000614829134 364739244 /nfs/dbraw/zinc/73/92/44/364739244.db2.gz IUYPELGVGGJMHN-UHFFFAOYSA-N 0 1 280.328 0.883 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCNC[C@@H]2C(F)F)c1[N+](=O)[O-] ZINC000564995978 291334367 /nfs/dbraw/zinc/33/43/67/291334367.db2.gz XCSFQIHXYBXOGZ-ZCFIWIBFSA-N 0 1 289.242 0.305 20 5 CCBDMN O=C(c1ccn[nH]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331880054 204257442 /nfs/dbraw/zinc/25/74/42/204257442.db2.gz GELKOBNVBGESGS-UHFFFAOYSA-N 0 1 290.283 0.992 20 5 CCBDMN O=C1C[C@H]2CC[C@@H](C1)N2CCn1cc([N+](=O)[O-])cn1 ZINC000289497630 197376464 /nfs/dbraw/zinc/37/64/64/197376464.db2.gz KEERRHWXYCVYHQ-AOOOYVTPSA-N 0 1 264.285 0.987 20 5 CCBDMN COCCN1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000264608836 190122699 /nfs/dbraw/zinc/12/26/99/190122699.db2.gz PBDOYELHTXVQKV-SECBINFHSA-N 0 1 269.305 0.461 20 5 CCBDMN C[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000445007798 249027012 /nfs/dbraw/zinc/02/70/12/249027012.db2.gz ZXOKTUIJVAHQGY-PSASIEDQSA-N 0 1 294.311 0.908 20 5 CCBDMN C[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000445007798 249027014 /nfs/dbraw/zinc/02/70/14/249027014.db2.gz ZXOKTUIJVAHQGY-PSASIEDQSA-N 0 1 294.311 0.908 20 5 CCBDMN CC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)NC ZINC000457047423 249039459 /nfs/dbraw/zinc/03/94/59/249039459.db2.gz KYVGDLBNFOKRFY-SNVBAGLBSA-N 0 1 281.268 0.555 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2CCC[C@](O)(CO)C2)c1 ZINC000459659727 249051594 /nfs/dbraw/zinc/05/15/94/249051594.db2.gz ZMDCXKXUEORFIY-CQSZACIVSA-N 0 1 296.323 0.793 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2C[C@H](CO)[C@H](O)C2)c1 ZINC000459685991 249052376 /nfs/dbraw/zinc/05/23/76/249052376.db2.gz GTQUTIJFHFAFHX-ZWNOBZJWSA-N 0 1 282.296 0.259 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](COC)C2)c1[N+](=O)[O-] ZINC000265892423 190215314 /nfs/dbraw/zinc/21/53/14/190215314.db2.gz RWBFVFNXPLXJHF-QMMMGPOBSA-N 0 1 282.300 0.989 20 5 CCBDMN CC(C)(C)[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000278948619 194225761 /nfs/dbraw/zinc/22/57/61/194225761.db2.gz YRFGMOMAXBQTQQ-ZETCQYMHSA-N 0 1 256.262 0.455 20 5 CCBDMN O=C(NCCCCO)c1cc(O)cc([N+](=O)[O-])c1 ZINC000279331153 194386607 /nfs/dbraw/zinc/38/66/07/194386607.db2.gz QGHFVALCSMTYLX-UHFFFAOYSA-N 0 1 254.242 0.803 20 5 CCBDMN COC(=O)c1cc(C)nc(NCc2nnc[nH]2)c1[N+](=O)[O-] ZINC000288588844 197120918 /nfs/dbraw/zinc/12/09/18/197120918.db2.gz VQDVQHABWUNYCL-UHFFFAOYSA-N 0 1 292.255 0.815 20 5 CCBDMN C[C@H]1[C@H](C)N(c2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC000356794774 389128299 /nfs/dbraw/zinc/12/82/99/389128299.db2.gz NLSMQJHNUOVDRA-YUMQZZPRSA-N 0 1 266.305 0.326 20 5 CCBDMN C[C@@H]1[C@@H](C)N(c2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC000356794765 389128549 /nfs/dbraw/zinc/12/85/49/389128549.db2.gz NLSMQJHNUOVDRA-HTQZYQBOSA-N 0 1 266.305 0.326 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCOC1 ZINC000131905792 389219577 /nfs/dbraw/zinc/21/95/77/389219577.db2.gz ITPLBORVKWYJOM-NSHDSACASA-N 0 1 267.285 0.477 20 5 CCBDMN C[C@@H](O)CN1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000331053010 389298226 /nfs/dbraw/zinc/29/82/26/389298226.db2.gz JHHWDLDJWHLXAQ-GHMZBOCLSA-N 0 1 297.359 0.215 20 5 CCBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCNCC2)c1 ZINC000159349276 389364636 /nfs/dbraw/zinc/36/46/36/389364636.db2.gz GUFLMFLTOOGTAC-UHFFFAOYSA-N 0 1 265.269 0.649 20 5 CCBDMN C[S@](=O)C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000281971837 389642139 /nfs/dbraw/zinc/64/21/39/389642139.db2.gz PBJWVEJIPDBYAG-FQEVSTJZSA-N 0 1 298.320 0.941 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000351848079 389697189 /nfs/dbraw/zinc/69/71/89/389697189.db2.gz AOVWCBDEODUZCH-IYSWYEEDSA-N 0 1 254.246 0.079 20 5 CCBDMN C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)CN1C ZINC000408069002 389824248 /nfs/dbraw/zinc/82/42/48/389824248.db2.gz ZSEHYTYQZZOYAQ-IUCAKERBSA-N 0 1 253.306 0.857 20 5 CCBDMN COC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000490939439 390108863 /nfs/dbraw/zinc/10/88/63/390108863.db2.gz VIYXEKGZARAFHV-UHFFFAOYSA-N 0 1 297.271 0.151 20 5 CCBDMN C[C@H]1C(=O)N(C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000592902828 390365113 /nfs/dbraw/zinc/36/51/13/390365113.db2.gz SJAKFTVWQCPZOQ-ZETCQYMHSA-N 0 1 279.252 0.561 20 5 CCBDMN CNc1nccc(C(=O)NCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000521064875 390595023 /nfs/dbraw/zinc/59/50/23/390595023.db2.gz INLHEPPIRFSKDO-UHFFFAOYSA-N 0 1 293.327 0.277 20 5 CCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000356454966 144003943 /nfs/dbraw/zinc/00/39/43/144003943.db2.gz GLHLZAHZNQAQRB-MRVPVSSYSA-N 0 1 279.300 0.295 20 5 CCBDMN CCC[C@@H](C)C(=O)NCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000356574686 144015549 /nfs/dbraw/zinc/01/55/49/144015549.db2.gz ZXQAFSIOGHOGRS-MRVPVSSYSA-N 0 1 297.315 0.600 20 5 CCBDMN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CCCN1C ZINC000356730157 144027721 /nfs/dbraw/zinc/02/77/21/144027721.db2.gz HVLICILZGWPNDI-DTWKUNHWSA-N 0 1 281.316 0.541 20 5 CCBDMN CCc1nc([C@@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000357930290 144134662 /nfs/dbraw/zinc/13/46/62/144134662.db2.gz CLMOFAOYXXICJA-ZCFIWIBFSA-N 0 1 293.287 0.500 20 5 CCBDMN CCC[C@@H]1CNCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000359207951 144202094 /nfs/dbraw/zinc/20/20/94/144202094.db2.gz ZZVGCEAXINJLBH-LLVKDONJSA-N 0 1 295.343 0.700 20 5 CCBDMN Cn1cc(N2CCC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000371757716 144343236 /nfs/dbraw/zinc/34/32/36/144343236.db2.gz WLFIBHMPRPTBDF-MVWJERBFSA-N 0 1 293.327 0.170 20 5 CCBDMN O=C(N[C@@H]1CCN(c2ccccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000372196051 144356914 /nfs/dbraw/zinc/35/69/14/144356914.db2.gz OBSJBJMSHPRPDQ-GMTAPVOTSA-N 0 1 276.296 0.442 20 5 CCBDMN O=C(NCCCc1nc[nH]n1)c1ccc([N+](=O)[O-])cn1 ZINC000552023458 286148206 /nfs/dbraw/zinc/14/82/06/286148206.db2.gz ZTFMEMSYAIJOGJ-UHFFFAOYSA-N 0 1 276.256 0.471 20 5 CCBDMN Cc1cc(C(=O)NCc2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000044929496 411633040 /nfs/dbraw/zinc/63/30/40/411633040.db2.gz PNZXZLXLHAPHII-UHFFFAOYSA-N 0 1 262.229 0.346 20 5 CCBDMN COC[C@@H]1C[C@H](OC)CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000284499988 196070740 /nfs/dbraw/zinc/07/07/40/196070740.db2.gz DIRZJKLVKJDCQQ-IUCAKERBSA-N 0 1 298.299 0.502 20 5 CCBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CNCCO1 ZINC000043708876 175102663 /nfs/dbraw/zinc/10/26/63/175102663.db2.gz RBJMVDRBYLBFHM-LLVKDONJSA-N 0 1 265.269 0.830 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2C)n1 ZINC000191813590 227187706 /nfs/dbraw/zinc/18/77/06/227187706.db2.gz CDUVNLPMECPDGT-VIFPVBQESA-N 0 1 281.316 0.635 20 5 CCBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)N1C ZINC000292696783 274369723 /nfs/dbraw/zinc/36/97/23/274369723.db2.gz FVWZSNOOXPWVOR-OCAPTIKFSA-N 0 1 266.305 0.496 20 5 CCBDMN C[C@@H](C(N)=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338364523 278217597 /nfs/dbraw/zinc/21/75/97/278217597.db2.gz ZXVAGNJUQKSZJV-VIFPVBQESA-N 0 1 251.286 0.943 20 5 CCBDMN O=C([C@@H]1CNCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000237954820 280103756 /nfs/dbraw/zinc/10/37/56/280103756.db2.gz HKNRLYQLGVVFIC-LBPRGKRZSA-N 0 1 277.280 0.472 20 5 CCBDMN C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000575867471 335126056 /nfs/dbraw/zinc/12/60/56/335126056.db2.gz SZGODDISFPWCGA-PHDIDXHHSA-N 0 1 254.246 0.161 20 5 CCBDMN CCc1ncc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000577275571 335333616 /nfs/dbraw/zinc/33/36/16/335333616.db2.gz GSFOKOWGYMCYGF-SNVBAGLBSA-N 0 1 295.299 0.492 20 5 CCBDMN CC(C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nncn1C ZINC000340734728 519798756 /nfs/dbraw/zinc/79/87/56/519798756.db2.gz FIEQZZHTEWICKB-MRVPVSSYSA-N 0 1 293.287 0.574 20 5 CCBDMN CC[C@H](C(N)=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365823468 523817258 /nfs/dbraw/zinc/81/72/58/523817258.db2.gz VMLPZDZCLHEZMG-SNVBAGLBSA-N 0 1 281.316 0.692 20 5 CCBDMN CCC[C@H](O)[C@@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000412525023 528289536 /nfs/dbraw/zinc/28/95/36/528289536.db2.gz LEJUOTLEZYRLKL-NEPJUHHUSA-N 0 1 298.295 0.552 20 5 CCBDMN CCC(=O)N1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000425037026 528324412 /nfs/dbraw/zinc/32/44/12/528324412.db2.gz MHBJKMRVGHWZLK-UHFFFAOYSA-N 0 1 293.279 0.952 20 5 CCBDMN O=C(NC[C@H]1CCC=CO1)c1n[nH]cc1[N+](=O)[O-] ZINC000781488991 581270014 /nfs/dbraw/zinc/27/00/14/581270014.db2.gz QATKMHZXXCRGAY-SSDOTTSWSA-N 0 1 252.230 0.740 20 5 CCBDMN CN(CCc1ccccc1[N+](=O)[O-])[C@H]1CCC(=O)NC1=O ZINC000796112433 581431612 /nfs/dbraw/zinc/43/16/12/581431612.db2.gz KJQNIFILNNVJIN-LBPRGKRZSA-N 0 1 291.307 0.874 20 5 CCBDMN O=C([O-])NC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000740624080 581703354 /nfs/dbraw/zinc/70/33/54/581703354.db2.gz PZIHGKCKXWVSOQ-JTQLQIEISA-N 0 1 297.315 0.913 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)OCCN2CCCCC2)n1 ZINC000770408540 581741630 /nfs/dbraw/zinc/74/16/30/581741630.db2.gz SUNNDZDQCYCKPO-UHFFFAOYSA-N 0 1 282.300 0.971 20 5 CCBDMN C[C@@H]1CCC[N@@H+]1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770738975 581765892 /nfs/dbraw/zinc/76/58/92/581765892.db2.gz GNLGNXSWAXFDMY-SECBINFHSA-N 0 1 294.311 0.910 20 5 CCBDMN C[C@@H]1CCC[N@H+]1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770738975 581765895 /nfs/dbraw/zinc/76/58/95/581765895.db2.gz GNLGNXSWAXFDMY-SECBINFHSA-N 0 1 294.311 0.910 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CCC(c3nc[nH]n3)CC2)nc1 ZINC000760562611 581865280 /nfs/dbraw/zinc/86/52/80/581865280.db2.gz SOVNBVBYDFEPFG-UHFFFAOYSA-N 0 1 275.272 0.887 20 5 CCBDMN C[C@H](CCS(C)(=O)=O)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000774822318 581998374 /nfs/dbraw/zinc/99/83/74/581998374.db2.gz DXGGCOMUUBWKPO-SSDOTTSWSA-N 0 1 290.297 0.903 20 5 CCBDMN CCN1C(=S)N=NC1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000764155872 582033529 /nfs/dbraw/zinc/03/35/29/582033529.db2.gz IRUZOPNYMVNBQU-UHFFFAOYSA-N 0 1 297.300 0.148 20 5 CCBDMN COCCN(CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582096 582080321 /nfs/dbraw/zinc/08/03/21/582080321.db2.gz QETYCDQQWTYUGQ-ZDUSSCGKSA-N 0 1 284.312 0.569 20 5 CCBDMN C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(=O)[O-] ZINC000828464292 601813962 /nfs/dbraw/zinc/81/39/62/601813962.db2.gz SYWIIGWQKJLNQN-VXNVDRBHSA-N 0 1 254.246 0.401 20 5 CCBDMN C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(=O)[O-] ZINC000828464292 601813964 /nfs/dbraw/zinc/81/39/64/601813964.db2.gz SYWIIGWQKJLNQN-VXNVDRBHSA-N 0 1 254.246 0.401 20 5 CCBDMN C[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(=O)[O-] ZINC000828464291 601814283 /nfs/dbraw/zinc/81/42/83/601814283.db2.gz SYWIIGWQKJLNQN-IONNQARKSA-N 0 1 254.246 0.401 20 5 CCBDMN C[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(=O)[O-] ZINC000828464291 601814284 /nfs/dbraw/zinc/81/42/84/601814284.db2.gz SYWIIGWQKJLNQN-IONNQARKSA-N 0 1 254.246 0.401 20 5 CCBDMN CC(C)CC[C@](C)(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839691154 614062045 /nfs/dbraw/zinc/06/20/45/614062045.db2.gz GPAZXZPKIXCLDY-FOGDFJRCSA-N 0 1 258.318 0.955 20 5 CCBDMN CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000959731842 613683580 /nfs/dbraw/zinc/68/35/80/613683580.db2.gz JKLINHQTCHQPMU-NZEXEKPDSA-N 0 1 295.339 0.557 20 5 CCBDMN CC(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000944385660 613826721 /nfs/dbraw/zinc/82/67/21/613826721.db2.gz XFWFRVPTWZXDCT-VXGBXAGGSA-N 0 1 295.339 0.513 20 5 CCBDMN CC(C)(C)c1nnc(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 ZINC000840673854 614052805 /nfs/dbraw/zinc/05/28/05/614052805.db2.gz BFGLJTARSAMDDL-RNFRBKRXSA-N 0 1 268.273 0.811 20 5 CCBDMN CC(C)(C)c1nc(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 ZINC000840673854 614052808 /nfs/dbraw/zinc/05/28/08/614052808.db2.gz BFGLJTARSAMDDL-RNFRBKRXSA-N 0 1 268.273 0.811 20 5 CCBDMN CC(C)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N(C)C ZINC000840671406 614150711 /nfs/dbraw/zinc/15/07/11/614150711.db2.gz UIUBLJDNEVSWKG-IWSPIJDZSA-N 0 1 258.274 0.308 20 5 CCBDMN CC1(C)COC(=O)[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000837634000 614713115 /nfs/dbraw/zinc/71/31/15/614713115.db2.gz LWBWQQUIKBROPC-JTQLQIEISA-N 0 1 294.263 0.982 20 5 CCBDMN CC1(C)C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839793684 614774291 /nfs/dbraw/zinc/77/42/91/614774291.db2.gz XBNVGXPOOUKCNK-OPRDCNLKSA-N 0 1 256.302 0.973 20 5 CCBDMN CCCNC(=O)C1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC000840313280 614838998 /nfs/dbraw/zinc/83/89/98/614838998.db2.gz VKHBSWLXZAHTGA-GHMZBOCLSA-N 0 1 297.355 0.997 20 5 CCBDMN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)C2CC2)CC1 ZINC000956369721 614918675 /nfs/dbraw/zinc/91/86/75/614918675.db2.gz ZRHVLDZWNNWSEW-GHMZBOCLSA-N 0 1 295.339 0.559 20 5 CCBDMN CCOC(=O)C(C)(C)C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673009 615148546 /nfs/dbraw/zinc/14/85/46/615148546.db2.gz HHJMQUOQTCYLRF-HTQZYQBOSA-N 0 1 287.268 0.353 20 5 CCBDMN CCOC(=O)[C@@H](CC1CC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840378038 615273503 /nfs/dbraw/zinc/27/35/03/615273503.db2.gz PFQIZIMIFZBHBW-OPRDCNLKSA-N 0 1 270.285 0.500 20 5 CCBDMN CN(C(=O)C1(C)CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954473112 615782156 /nfs/dbraw/zinc/78/21/56/615782156.db2.gz PBXPYBIQQPCCBM-NXEZZACHSA-N 0 1 281.312 0.121 20 5 CCBDMN CN(C(=O)CC1CCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953962780 615810388 /nfs/dbraw/zinc/81/03/88/615810388.db2.gz XPPAQPFVGIFBNO-VXGBXAGGSA-N 0 1 295.339 0.511 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCC3)C2)n1 ZINC000912910985 616014885 /nfs/dbraw/zinc/01/48/85/616014885.db2.gz WTXIAVMZYZGXFS-JTQLQIEISA-N 0 1 293.327 0.731 20 5 CCBDMN CN(CC(F)(F)F)C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672697 616052520 /nfs/dbraw/zinc/05/25/20/616052520.db2.gz LRIUXGFRWHXOCP-PHDIDXHHSA-N 0 1 284.190 0.216 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852188999 616109116 /nfs/dbraw/zinc/10/91/16/616109116.db2.gz SLDJDRCYSPTKJV-SNVBAGLBSA-N 0 1 294.267 0.849 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855640862 616163085 /nfs/dbraw/zinc/16/30/85/616163085.db2.gz DXWXNGDJQUZQSY-ZDUSSCGKSA-N 0 1 293.323 0.648 20 5 CCBDMN CN1CCN(CCNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881779325 616241893 /nfs/dbraw/zinc/24/18/93/616241893.db2.gz PMDYWVCSLRNWGL-UHFFFAOYSA-N 0 1 283.307 0.788 20 5 CCBDMN COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000926484470 616367738 /nfs/dbraw/zinc/36/77/38/616367738.db2.gz XWMSQMFADBMFSJ-BZNPZCIMSA-N 0 1 256.258 0.110 20 5 CCBDMN COC1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839701753 616521277 /nfs/dbraw/zinc/52/12/77/616521277.db2.gz QJDHSQRKKNPDBC-JPPWEJMLSA-N 0 1 256.302 0.973 20 5 CCBDMN COC(=O)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839690466 616599551 /nfs/dbraw/zinc/59/95/51/616599551.db2.gz AVMFZXWRDDYOSU-IJLUTSLNSA-N 0 1 292.291 0.725 20 5 CCBDMN COC(=O)N(C)CCN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000878951045 616767437 /nfs/dbraw/zinc/76/74/37/616767437.db2.gz FCJUBIIAWOADKK-UHFFFAOYSA-N 0 1 299.331 0.730 20 5 CCBDMN COC(=O)c1cnoc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673311 617005067 /nfs/dbraw/zinc/00/50/67/617005067.db2.gz JTHHRFSKYSQSOV-IYSWYEEDSA-N 0 1 270.197 0.170 20 5 CCBDMN CO[C@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](OC)C1 ZINC000842334347 617123028 /nfs/dbraw/zinc/12/30/28/617123028.db2.gz WBMXIXXZDWZION-ZKKRXERASA-N 0 1 273.285 0.777 20 5 CCBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc[nH]1 ZINC000972963158 623491897 /nfs/dbraw/zinc/49/18/97/623491897.db2.gz NNVHOEQKMRMFCS-TURQNECASA-N 0 1 292.295 0.057 20 5 CCBDMN O=C1C[C@@H](NCC[N+](=O)[O-])CN1C1CCCCC1 ZINC000905172276 634817485 /nfs/dbraw/zinc/81/74/85/634817485.db2.gz DFLNKTXEFOOKEM-SNVBAGLBSA-N 0 1 255.318 0.786 20 5 CCBDMN O=C(C1CC1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000967967639 650005904 /nfs/dbraw/zinc/00/59/04/650005904.db2.gz GMITZMNPHRYFLU-WRWGMCAJSA-N 0 1 293.323 0.263 20 5 CCBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000840672419 631688301 /nfs/dbraw/zinc/68/83/01/631688301.db2.gz QAYXMQZBXNGHAM-XLPZGREQSA-N 0 1 258.274 0.498 20 5 CCBDMN CC(=O)N1CCC(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000988401694 633009982 /nfs/dbraw/zinc/00/99/82/633009982.db2.gz PQVWBAIUALBNIC-VXGBXAGGSA-N 0 1 283.328 0.369 20 5 CCBDMN O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC([NH+]2CCCC2)C1 ZINC000898603084 633631657 /nfs/dbraw/zinc/63/16/57/633631657.db2.gz IVCPYHMVCIULSP-UHFFFAOYSA-N 0 1 292.295 0.616 20 5 CCBDMN CC(F)(F)CC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991297261 635874825 /nfs/dbraw/zinc/87/48/25/635874825.db2.gz SPMZTEIGZRHGDF-HTQZYQBOSA-N 0 1 291.254 0.024 20 5 CCBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H](N2CCC2)C1 ZINC000912914123 636701849 /nfs/dbraw/zinc/70/18/49/636701849.db2.gz WBEFKLDKCWQSSG-MRVPVSSYSA-N 0 1 265.273 0.238 20 5 CCBDMN Cn1c(C(=O)N2CC[C@@H](N3CCC3)C2)ccc1[N+](=O)[O-] ZINC000912924567 636714380 /nfs/dbraw/zinc/71/43/80/636714380.db2.gz ZATJWHAWTYLHRO-SNVBAGLBSA-N 0 1 278.312 0.854 20 5 CCBDMN C/C=C(\C)C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010944615 650279592 /nfs/dbraw/zinc/27/95/92/650279592.db2.gz XQQBEKKOJRMCAH-VIXUHMKYSA-N 0 1 281.312 0.289 20 5 CCBDMN O=C(NC12CCN(CC1)C2)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000913635010 637393208 /nfs/dbraw/zinc/39/32/08/637393208.db2.gz NBNUNHZEQSDFNB-LBPRGKRZSA-N 0 1 291.307 0.593 20 5 CCBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccoc1 ZINC001000936216 639200475 /nfs/dbraw/zinc/20/04/75/639200475.db2.gz VVEWATBFZGNDOM-GHMZBOCLSA-N 0 1 293.279 0.133 20 5 CCBDMN O=C(OC[C@H]1CCC2(COC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000922803032 639792941 /nfs/dbraw/zinc/79/29/41/639792941.db2.gz SQFRQYLBRZSCLI-IWSPIJDZSA-N 0 1 257.242 0.143 20 5 CCBDMN O=C(NC[C@@H](O)c1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839586365 640345444 /nfs/dbraw/zinc/34/54/44/640345444.db2.gz NQEQQVWWMHIUJI-GMTAPVOTSA-N 0 1 268.244 0.641 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000839701624 640350947 /nfs/dbraw/zinc/35/09/47/640350947.db2.gz RVGYNUCBRJFRBD-DBIOUOCHSA-N 0 1 270.285 0.058 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(OCC(F)F)C1 ZINC000839696815 640351786 /nfs/dbraw/zinc/35/17/86/640351786.db2.gz QJUFYVDBEARWRH-RNFRBKRXSA-N 0 1 250.201 0.144 20 5 CCBDMN C[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC[C@@H]1O ZINC000839698158 640351843 /nfs/dbraw/zinc/35/18/43/640351843.db2.gz CWNQFPKJYKFZDQ-SVDPJWKOSA-N 0 1 256.302 0.709 20 5 CCBDMN O=C(N[C@H](CO)c1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839725005 640358691 /nfs/dbraw/zinc/35/86/91/640358691.db2.gz PWMDKZXBBDXYRZ-GMTAPVOTSA-N 0 1 268.244 0.641 20 5 CCBDMN O=C(NCCc1ccc2c[nH]nc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839762520 640358882 /nfs/dbraw/zinc/35/88/82/640358882.db2.gz XRQOAPUITXCXSP-ZYHUDNBSSA-N 0 1 274.280 0.887 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000839761941 640359485 /nfs/dbraw/zinc/35/94/85/640359485.db2.gz MZDIODXCYLROEM-DBIOUOCHSA-N 0 1 270.285 0.058 20 5 CCBDMN NC(=O)NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839762521 640359832 /nfs/dbraw/zinc/35/98/32/640359832.db2.gz YLGXZXJJFPFQBT-RKDXNWHRSA-N 0 1 292.251 0.099 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000839772318 640363277 /nfs/dbraw/zinc/36/32/77/640363277.db2.gz BTLPNCBRLYYTJO-HJQYOEGKSA-N 0 1 264.281 0.890 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC000808751852 640877964 /nfs/dbraw/zinc/87/79/64/640877964.db2.gz NBUNKTRXBMVLBF-YUTCNCBUSA-N 0 1 296.323 0.303 20 5 CCBDMN O=C(O[C@H]1CCC(=O)NC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000809029016 640888171 /nfs/dbraw/zinc/88/81/71/640888171.db2.gz XFLDYGAEPOXGQY-LURJTMIESA-N 0 1 253.214 0.358 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](CCO)CC1 ZINC000817699897 641269291 /nfs/dbraw/zinc/26/92/91/641269291.db2.gz HAPWLRCKDPZUQW-HBNTYKKESA-N 0 1 256.302 0.663 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1C(F)(F)F ZINC000840357314 641320784 /nfs/dbraw/zinc/32/07/84/641320784.db2.gz CRDHBANSLGTMCP-QYNIQEEDSA-N 0 1 268.191 0.441 20 5 CCBDMN O=C(NCc1nccnc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000819738660 641428157 /nfs/dbraw/zinc/42/81/57/641428157.db2.gz OBHZVEFUGMDKHB-UHFFFAOYSA-N 0 1 282.647 0.691 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCC[C@H]1CCO ZINC000840446376 641577986 /nfs/dbraw/zinc/57/79/86/641577986.db2.gz QWMDRXBJEJXZBE-HBNTYKKESA-N 0 1 256.302 0.805 20 5 CCBDMN O=C(NC[C@@H]1CC2(CO1)CCOCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000825408241 641886833 /nfs/dbraw/zinc/88/68/33/641886833.db2.gz OTCQIKDPNZNUFA-HBNTYKKESA-N 0 1 284.312 0.354 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2CSC[C@H]2C1 ZINC000827102491 641980372 /nfs/dbraw/zinc/98/03/72/641980372.db2.gz KTIWBAVEONJUJY-ZYUZMQFOSA-N 0 1 256.327 0.863 20 5 CCBDMN O=C(NCCOc1cncc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000842260480 642886189 /nfs/dbraw/zinc/88/61/89/642886189.db2.gz IENJLGJYDAOADV-NXEZZACHSA-N 0 1 285.687 0.895 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@]2(CCSC2)C1 ZINC000843629106 643100850 /nfs/dbraw/zinc/10/08/50/643100850.db2.gz NRZZQKLXCRGCAB-KKZNHRDASA-N 0 1 272.326 0.386 20 5 CCBDMN Cc1nc([C@@H](C)OC(=O)c2ccnc(N)c2[N+](=O)[O-])n[nH]1 ZINC000848790737 643679758 /nfs/dbraw/zinc/67/97/58/643679758.db2.gz QHADXKVUEFKOGJ-RXMQYKEDSA-N 0 1 292.255 0.917 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853217575 644091182 /nfs/dbraw/zinc/09/11/82/644091182.db2.gz BRINZYYKXLPFBU-ZETCQYMHSA-N 0 1 294.271 0.912 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C=CCC2)n1 ZINC000859219591 644676980 /nfs/dbraw/zinc/67/69/80/644676980.db2.gz CCQFEKJZBQXRBW-ZETCQYMHSA-N 0 1 272.286 0.325 20 5 CCBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC=C[C@H]2CO)c1 ZINC000880482407 647206189 /nfs/dbraw/zinc/20/61/89/647206189.db2.gz HVDAWIASBVFGKZ-STQMWFEESA-N 0 1 294.307 0.567 20 5 CCBDMN C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000886234740 647926466 /nfs/dbraw/zinc/92/64/66/647926466.db2.gz VJCUWYMVLUTCMF-TXEJJXNPSA-N 0 1 294.355 0.877 20 5 CCBDMN Cn1cc(C(=O)NCC2CCN(CC[N+](=O)[O-])CC2)cn1 ZINC000929682726 648779228 /nfs/dbraw/zinc/77/92/28/648779228.db2.gz JCEITUBHIZAHLX-UHFFFAOYSA-N 0 1 295.343 0.139 20 5 CCBDMN O=[N+]([O-])CCN1CCC(OC[C@H]2CCOC2)CC1 ZINC000930127551 648827607 /nfs/dbraw/zinc/82/76/07/648827607.db2.gz XEXXJFZAVWPITJ-NSHDSACASA-N 0 1 258.318 0.781 20 5 CCBDMN Cc1nc(N2C[C@H]3OCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000153163800 719371740 /nfs/dbraw/zinc/37/17/40/719371740.db2.gz MYXQBVRXUZEICN-NWDGAFQWSA-N 0 1 278.312 0.817 20 5 CCBDMN Cc1conc1CNCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696233 791151009 /nfs/dbraw/zinc/15/10/09/791151009.db2.gz APTSQCGEAVKUTB-MWLCHTKSSA-N 0 1 282.300 0.196 20 5 CCBDMN O=C(N[C@H]1CCCc2c1cnn2CCO)[C@@H]1CC1[N+](=O)[O-] ZINC001138017793 799698150 /nfs/dbraw/zinc/69/81/50/799698150.db2.gz XEIUXORDPRIFIK-UBHAPETDSA-N 0 1 294.311 0.034 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])cnc1-n1c(C)cnc1CN ZINC001158163169 801579940 /nfs/dbraw/zinc/57/99/40/801579940.db2.gz OWIPMGULTKPXBM-UHFFFAOYSA-N 0 1 291.267 0.729 20 5 CCBDMN CO[C@H]1COCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001159237018 801776943 /nfs/dbraw/zinc/77/69/43/801776943.db2.gz CILFZGQQMWZCQH-APPZFPTMSA-N 0 1 284.272 0.099 20 5 CCBDMN COCc1nn(-c2ncc([N+](=O)[O-])cc2N)c2c1CNC2 ZINC001165634080 802858494 /nfs/dbraw/zinc/85/84/94/802858494.db2.gz PAXXRMZSLOWBTQ-UHFFFAOYSA-N 0 1 290.283 0.507 20 5 CCBDMN O=[N+]([O-])c1ccc(CCNS(=O)(=O)c2ncc[nH]2)cc1 ZINC000312489796 804331946 /nfs/dbraw/zinc/33/19/46/804331946.db2.gz CDOJMZRQLOVOSS-UHFFFAOYSA-N 0 1 296.308 0.839 20 5 CCBDMN C[C@H](CON)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094925 805321637 /nfs/dbraw/zinc/32/16/37/805321637.db2.gz GLJKXSOAOUIUNP-ZCFIWIBFSA-N 0 1 280.240 0.901 20 5 CCBDMN COC([O-])=C1N=NC(OC(=O)C[C@@H](O)C[N+](C)(C)C)=N1 ZINC001228312266 805434446 /nfs/dbraw/zinc/43/44/46/805434446.db2.gz REIPDHFKNLMMRT-SSDOTTSWSA-O 0 1 287.296 0.140 20 5 CCBDMN CN(C(=O)c1c(F)cccc1[N+](=O)[O-])c1nn[nH]n1 ZINC001279187517 809972490 /nfs/dbraw/zinc/97/24/90/809972490.db2.gz HWPUICRKYZPUBQ-UHFFFAOYSA-N 0 1 266.192 0.524 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001167672666 811131137 /nfs/dbraw/zinc/13/11/37/811131137.db2.gz RVKNMPLBQWNZAS-UHFFFAOYSA-N 0 1 299.294 0.903 20 5 CCBDMN CCN(C(=O)C(C)(C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080514134 820584572 /nfs/dbraw/zinc/58/45/72/820584572.db2.gz JGLHXJFFYJFRST-GHMZBOCLSA-N 0 1 297.355 0.757 20 5 CCBDMN CCc1n[nH]c(C(=O)N2CC[C@H](N3CCC3)C2)c1[N+](=O)[O-] ZINC000823484718 821520395 /nfs/dbraw/zinc/52/03/95/821520395.db2.gz LMYDKDOZJIBGAR-VIFPVBQESA-N 0 1 293.327 0.801 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](N3CCC3)C2)c1[N+](=O)[O-] ZINC000823484718 821520398 /nfs/dbraw/zinc/52/03/98/821520398.db2.gz LMYDKDOZJIBGAR-VIFPVBQESA-N 0 1 293.327 0.801 20 5 CCBDMN C[N@@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000712295849 822300491 /nfs/dbraw/zinc/30/04/91/822300491.db2.gz YHSXCLDVDGAYSP-QMMMGPOBSA-N 0 1 265.269 0.734 20 5 CCBDMN C[N@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000712295849 822300499 /nfs/dbraw/zinc/30/04/99/822300499.db2.gz YHSXCLDVDGAYSP-QMMMGPOBSA-N 0 1 265.269 0.734 20 5 CCBDMN NCc1nnnn1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001168920994 836052655 /nfs/dbraw/zinc/05/26/55/836052655.db2.gz OTKVHAGFNNSFQO-UHFFFAOYSA-N 0 1 278.257 0.034 20 5 CCBDMN O=C1NC(=O)[C@H](N[C@H]2CC[C@H](C[N+](=O)[O-])C2)S1 ZINC001168961896 836084803 /nfs/dbraw/zinc/08/48/03/836084803.db2.gz LAOPFOOREDFXSY-VMHSAVOQSA-N 0 1 259.287 0.331 20 5 CCBDMN O=C1[N-]C(=O)[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)S1 ZINC001168961896 836084812 /nfs/dbraw/zinc/08/48/12/836084812.db2.gz LAOPFOOREDFXSY-VMHSAVOQSA-N 0 1 259.287 0.331 20 5 CCBDMN Cc1cnc(CN)n1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001169028215 836105001 /nfs/dbraw/zinc/10/50/01/836105001.db2.gz PIPLQZKFMQOIST-UHFFFAOYSA-N 0 1 273.256 0.819 20 5 CCBDMN CC(=O)N(C)C1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037984 836112232 /nfs/dbraw/zinc/11/22/32/836112232.db2.gz UQPFXGJZJOFTCI-GHMZBOCLSA-N 0 1 255.318 0.594 20 5 CCBDMN COc1ncc([N+](=O)[O-])c(-n2c(C)cnc2CN)n1 ZINC001169020776 836115656 /nfs/dbraw/zinc/11/56/56/836115656.db2.gz QYRTYBLMEVTCGX-UHFFFAOYSA-N 0 1 264.245 0.346 20 5 CCBDMN O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1NC[C@@H]1COCCN1 ZINC001170034244 836751836 /nfs/dbraw/zinc/75/18/36/836751836.db2.gz AHGPJBNCFYHAFQ-SSDOTTSWSA-N 0 1 288.691 0.282 20 5 CCBDMN CN1CC[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001133923415 838780942 /nfs/dbraw/zinc/78/09/42/838780942.db2.gz LDEXOZMZLWTSPN-SECBINFHSA-N 0 1 289.295 0.905 20 5 CCBDMN O=C(NCCNc1ncc([N+](=O)[O-])cc1F)c1ncn[nH]1 ZINC001093793408 841460223 /nfs/dbraw/zinc/46/02/23/841460223.db2.gz RKYZBIXNVKSSEA-UHFFFAOYSA-N 0 1 295.234 0.089 20 5 CCBDMN O=C(NCCNc1ncc([N+](=O)[O-])cc1F)c1nc[nH]n1 ZINC001093793408 841460224 /nfs/dbraw/zinc/46/02/24/841460224.db2.gz RKYZBIXNVKSSEA-UHFFFAOYSA-N 0 1 295.234 0.089 20 5 CCBDMN CN(C)Cc1nc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])co1 ZINC001179128486 842967539 /nfs/dbraw/zinc/96/75/39/842967539.db2.gz WDJZTROXMMRQCL-UHFFFAOYSA-N 0 1 294.271 0.298 20 5 CCBDMN C[NH+](C)Cc1nc(CNC(=O)c2[n-]ncc2[N+](=O)[O-])co1 ZINC001179128486 842967541 /nfs/dbraw/zinc/96/75/41/842967541.db2.gz WDJZTROXMMRQCL-UHFFFAOYSA-N 0 1 294.271 0.298 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCC(F)(F)F)C1 ZINC001042707434 850740574 /nfs/dbraw/zinc/74/05/74/850740574.db2.gz NLMOBXXCCZRQKH-RKDXNWHRSA-N 0 1 295.261 0.747 20 5 CCBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001118238393 856219061 /nfs/dbraw/zinc/21/90/61/856219061.db2.gz GHWPXDNDFCFRQG-UWVGGRQHSA-N 0 1 282.300 0.976 20 5 CCBDMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001326832579 914214213 /nfs/dbraw/zinc/21/42/13/914214213.db2.gz RMFVAMUZOORVBL-GFCCVEGCSA-N 0 1 282.300 0.978 20 5 CCBDMN O=C(N[C@H](CO)CCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000928255203 902057620 /nfs/dbraw/zinc/05/76/20/902057620.db2.gz MQCITCAKQJCAQD-YNEHKIRRSA-N 0 1 278.308 0.762 20 5 CCBDMN O=C(NCCNC(=O)C1C=CC=CC=C1)[C@@H]1CC1[N+](=O)[O-] ZINC001283005695 904666779 /nfs/dbraw/zinc/66/67/79/904666779.db2.gz YIOSTIUSOOHRHK-VXGBXAGGSA-N 0 1 291.307 0.182 20 5 CCBDMN CC(C)CC(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284522293 905358506 /nfs/dbraw/zinc/35/85/06/905358506.db2.gz UEHJGFLDUXBQFI-NXEZZACHSA-N 0 1 271.317 0.272 20 5 CCBDMN CC(C)c1nnc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1C ZINC001295936773 906827786 /nfs/dbraw/zinc/82/77/86/906827786.db2.gz OSJLXKMQMLQFAM-HTQZYQBOSA-N 0 1 267.289 0.220 20 5 CCBDMN O=C(NCCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC001491697381 907511050 /nfs/dbraw/zinc/51/10/50/907511050.db2.gz ORGITFNYDDFEJQ-YBXAARCKSA-N 0 1 295.339 0.320 20 5 CCBDMN CCN1CC[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001307194097 908292175 /nfs/dbraw/zinc/29/21/75/908292175.db2.gz BZRKGFJAKKIXGR-SSDOTTSWSA-N 0 1 252.278 0.473 20 5 CCBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccon1 ZINC001316891068 908816898 /nfs/dbraw/zinc/81/68/98/908816898.db2.gz UFLNANHCKANWBO-VXGBXAGGSA-N 0 1 296.327 0.668 20 5 CCBDMN COC1(OC)CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001338412906 921458969 /nfs/dbraw/zinc/45/89/69/921458969.db2.gz VIUULUGVUXXFFP-RKDXNWHRSA-N 0 1 258.274 0.167 20 5 CCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nccn1C ZINC001492950667 919222499 /nfs/dbraw/zinc/22/24/99/919222499.db2.gz ZVHJFSRCUWBSKB-GHMZBOCLSA-N 0 1 295.343 0.023 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CN2CCC1CC2 ZINC001336081899 920599018 /nfs/dbraw/zinc/59/90/18/920599018.db2.gz RAMYXDYZJJZKSI-VIFPVBQESA-N 0 1 279.300 0.152 20 5 CCBDMN C[C@H](CNC(=O)[C@@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001341319285 922422392 /nfs/dbraw/zinc/42/23/92/922422392.db2.gz VDRCXRRWIISNLR-MFKMUULPSA-N 0 1 293.323 0.803 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC001342028869 922770407 /nfs/dbraw/zinc/77/04/07/922770407.db2.gz ICWMYWKPSUFLKE-JGVFFNPUSA-N 0 1 268.273 0.469 20 5 CCBDMN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001343364946 923287081 /nfs/dbraw/zinc/28/70/81/923287081.db2.gz QLGDBRQWOTYTGX-DTWKUNHWSA-N 0 1 279.300 0.627 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2ncccn2)CC1 ZINC001347854924 924553468 /nfs/dbraw/zinc/55/34/68/924553468.db2.gz HAURMEUSDYHKSA-GHMZBOCLSA-N 0 1 276.296 0.848 20 5 CCBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CO)c2)CC1 ZINC001349896325 925089004 /nfs/dbraw/zinc/08/90/04/925089004.db2.gz PCIGMGQKJVEFKQ-UHFFFAOYSA-N 0 1 294.311 0.277 20 5 CCBDMN CC(C)CCC(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001357544239 926560018 /nfs/dbraw/zinc/56/00/18/926560018.db2.gz CTKPCBCQGHMEFV-OPVGQWETSA-N 0 1 297.355 0.876 20 5 CCBDMN COCCOCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001357814943 926601070 /nfs/dbraw/zinc/60/10/70/926601070.db2.gz WZYPQSASLOYRSR-NXEZZACHSA-N 0 1 260.290 0.211 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])s1)N1CCNC[C@@H]1CO ZINC001358040025 926624246 /nfs/dbraw/zinc/62/42/46/926624246.db2.gz XPUKUFAUJMCCKI-SSDOTTSWSA-N 0 1 271.298 0.063 20 5 CCBDMN Cc1cnc(N2CCC[N@@H+](CC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000090691719 349441567 /nfs/dbraw/zinc/44/15/67/349441567.db2.gz ZIVXWANRZSWCOT-UHFFFAOYSA-N 0 1 294.311 0.895 20 5 CCBDMN CC(C)CC[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600307514 361925085 /nfs/dbraw/zinc/92/50/85/361925085.db2.gz VSJAGEWYKVLDMR-MRVPVSSYSA-N 0 1 270.289 0.845 20 5 CCBDMN C[C@@H](O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000097179219 349631960 /nfs/dbraw/zinc/63/19/60/349631960.db2.gz RBOOTZNBODEAJI-ZCFIWIBFSA-N 0 1 264.241 0.582 20 5 CCBDMN COCCCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000126055456 187213093 /nfs/dbraw/zinc/21/30/93/187213093.db2.gz KUJILXBXTNTIFI-UHFFFAOYSA-N 0 1 256.262 0.864 20 5 CCBDMN O=C(NCCN1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000600550679 362008035 /nfs/dbraw/zinc/00/80/35/362008035.db2.gz PAJJXHFCHMVYPN-GFCCVEGCSA-N 0 1 279.296 0.391 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[C@H](O)C2)c1 ZINC000600808098 362065978 /nfs/dbraw/zinc/06/59/78/362065978.db2.gz HPLUEZTUOVUYLL-NSHDSACASA-N 0 1 293.323 0.700 20 5 CCBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@H](O)C1 ZINC000600809044 362066077 /nfs/dbraw/zinc/06/60/77/362066077.db2.gz QSBFSAUWXLWAJJ-LBPRGKRZSA-N 0 1 293.323 0.700 20 5 CCBDMN Cn1cnnc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000358410440 232097951 /nfs/dbraw/zinc/09/79/51/232097951.db2.gz JFVSHRQAKFSPCM-UHFFFAOYSA-N 0 1 263.213 0.681 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCNC[C@H]2C(C)C)n1 ZINC000602527013 362658893 /nfs/dbraw/zinc/65/88/93/362658893.db2.gz HVNKWBZCCQKBQR-JTQLQIEISA-N 0 1 295.343 0.881 20 5 CCBDMN Cn1cc(CN2C[C@@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])n1 ZINC000602712634 362764305 /nfs/dbraw/zinc/76/43/05/362764305.db2.gz ZHPYIXYOGMRXGY-ZYHUDNBSSA-N 0 1 266.301 0.797 20 5 CCBDMN NC1(c2noc(Cn3ccc([N+](=O)[O-])n3)n2)CCCC1 ZINC000261751011 137018230 /nfs/dbraw/zinc/01/82/30/137018230.db2.gz LTKHYGBLUQVTKY-UHFFFAOYSA-N 0 1 278.272 0.951 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)[C@@H]2COC[C@@H]2O)c1[N+](=O)[O-] ZINC000342395884 137091227 /nfs/dbraw/zinc/09/12/27/137091227.db2.gz FMLOKPDFMIGZGR-BDAKNGLRSA-N 0 1 298.299 0.102 20 5 CCBDMN Cc1noc(C)c1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343324215 137128713 /nfs/dbraw/zinc/12/87/13/137128713.db2.gz QMHIBUPTUSFQBV-UHFFFAOYSA-N 0 1 265.229 0.853 20 5 CCBDMN CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])nn2C)[C@@H](C)C1 ZINC000344418820 137193830 /nfs/dbraw/zinc/19/38/30/137193830.db2.gz JAUQLTJVADSUKV-UWVGGRQHSA-N 0 1 295.343 0.883 20 5 CCBDMN CCN1C[C@H](C)N(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000345957208 137261906 /nfs/dbraw/zinc/26/19/06/137261906.db2.gz MAPPMKQVPHRJJG-MNOVXSKESA-N 0 1 295.343 0.732 20 5 CCBDMN CN1CCN(C(=O)CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000051634398 348491590 /nfs/dbraw/zinc/49/15/90/348491590.db2.gz AHZSGXXUOAKECG-UHFFFAOYSA-N 0 1 292.339 0.458 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000068769570 348821333 /nfs/dbraw/zinc/82/13/33/348821333.db2.gz JIXYRRMMROJTPO-MRVPVSSYSA-N 0 1 282.300 0.867 20 5 CCBDMN CN(C)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000073141165 348944797 /nfs/dbraw/zinc/94/47/97/348944797.db2.gz PZZVZKKKEDWACT-UHFFFAOYSA-N 0 1 292.339 0.805 20 5 CCBDMN O=C(COc1cccc([N+](=O)[O-])c1)NCCc1nc[nH]n1 ZINC000080579306 349218514 /nfs/dbraw/zinc/21/85/14/349218514.db2.gz GIRKBECFERXZCY-UHFFFAOYSA-N 0 1 291.267 0.451 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000089461346 349388392 /nfs/dbraw/zinc/38/83/92/349388392.db2.gz QDUDWULWGWOXHU-VXNVDRBHSA-N 0 1 282.300 0.723 20 5 CCBDMN CN1C(=O)CC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000090024714 349421889 /nfs/dbraw/zinc/42/18/89/349421889.db2.gz DJMLDUIOCOETKR-NSHDSACASA-N 0 1 277.280 0.832 20 5 CCBDMN CCn1[nH]c(C)nc1=NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000412862731 233267802 /nfs/dbraw/zinc/26/78/02/233267802.db2.gz RWBDGPYNILDFHN-UHFFFAOYSA-N 0 1 291.267 0.894 20 5 CCBDMN CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCC[N@@H+](C)C1 ZINC000125089052 350114054 /nfs/dbraw/zinc/11/40/54/350114054.db2.gz CMHAXWPISWTBLD-VIFPVBQESA-N 0 1 281.316 0.495 20 5 CCBDMN CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCCN(C)C1 ZINC000125089052 350114057 /nfs/dbraw/zinc/11/40/57/350114057.db2.gz CMHAXWPISWTBLD-VIFPVBQESA-N 0 1 281.316 0.495 20 5 CCBDMN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nnc[nH]1 ZINC000128981951 350203292 /nfs/dbraw/zinc/20/32/92/350203292.db2.gz ARXDRTSCNOCHCM-ZETCQYMHSA-N 0 1 297.296 0.752 20 5 CCBDMN O=C(NCC[NH+]1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000136018432 350411750 /nfs/dbraw/zinc/41/17/50/350411750.db2.gz VGLMHKHYWYKMIQ-UHFFFAOYSA-N 0 1 267.289 0.534 20 5 CCBDMN O=C(NCCN1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000136018432 350411757 /nfs/dbraw/zinc/41/17/57/350411757.db2.gz VGLMHKHYWYKMIQ-UHFFFAOYSA-N 0 1 267.289 0.534 20 5 CCBDMN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[N@H+](C)C1CC1 ZINC000170809880 350863592 /nfs/dbraw/zinc/86/35/92/350863592.db2.gz DJILLELVJADZKC-QMMMGPOBSA-N 0 1 294.311 0.908 20 5 CCBDMN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[N@@H+](C)C1CC1 ZINC000170809880 350863596 /nfs/dbraw/zinc/86/35/96/350863596.db2.gz DJILLELVJADZKC-QMMMGPOBSA-N 0 1 294.311 0.908 20 5 CCBDMN COC[C@@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000171971581 350947911 /nfs/dbraw/zinc/94/79/11/350947911.db2.gz RCHLXGCQWPPKAD-AWEZNQCLSA-N 0 1 295.339 0.724 20 5 CCBDMN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000174843663 351106797 /nfs/dbraw/zinc/10/67/97/351106797.db2.gz PYIKHZZBXFILQD-JTQLQIEISA-N 0 1 254.290 0.902 20 5 CCBDMN CC(=O)N(C)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176218289 351161101 /nfs/dbraw/zinc/16/11/01/351161101.db2.gz OOJDCCANZBPWKD-UHFFFAOYSA-N 0 1 295.343 0.734 20 5 CCBDMN CO[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000188300168 351586176 /nfs/dbraw/zinc/58/61/76/351586176.db2.gz ODKNBESNGBZCCT-NKWVEPMBSA-N 0 1 254.246 0.615 20 5 CCBDMN NS(=O)(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000339841251 215359946 /nfs/dbraw/zinc/35/99/46/215359946.db2.gz OJHPZTKXMIGIRD-GFCCVEGCSA-N 0 1 299.352 0.500 20 5 CCBDMN CCc1n[nH]c(C(=O)N2CCN3CCC2CC3)c1[N+](=O)[O-] ZINC000192934277 351804470 /nfs/dbraw/zinc/80/44/70/351804470.db2.gz LRFIUBQJTNJVKW-UHFFFAOYSA-N 0 1 293.327 0.801 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCN3CCC2CC3)c1[N+](=O)[O-] ZINC000192934277 351804474 /nfs/dbraw/zinc/80/44/74/351804474.db2.gz LRFIUBQJTNJVKW-UHFFFAOYSA-N 0 1 293.327 0.801 20 5 CCBDMN C[N@@H+]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C[C@H]2C1 ZINC000192503885 351789498 /nfs/dbraw/zinc/78/94/98/351789498.db2.gz MUHMIKCVRAHHIB-AOOOYVTPSA-N 0 1 291.307 0.934 20 5 CCBDMN C[C@H](O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123113313 187071958 /nfs/dbraw/zinc/07/19/58/187071958.db2.gz ZNGBBDOGJJMCFG-LURJTMIESA-N 0 1 278.261 0.393 20 5 CCBDMN C[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CN1C1CC1 ZINC000271456124 191149354 /nfs/dbraw/zinc/14/93/54/191149354.db2.gz WPIFDNKGVFEMJP-RKDXNWHRSA-N 0 1 293.327 0.683 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)Nc1cccc([N+](=O)[O-])c1 ZINC000236402336 352194053 /nfs/dbraw/zinc/19/40/53/352194053.db2.gz AHEDCNPJBJVUBE-SNVBAGLBSA-N 0 1 280.284 0.705 20 5 CCBDMN CC[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1O ZINC000270944183 353006538 /nfs/dbraw/zinc/00/65/38/353006538.db2.gz RXGYZLACCQBIMH-NOZJJQNGSA-N 0 1 293.323 0.896 20 5 CCBDMN Cc1nc(N2C[C@@H](C)N(CCO)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000419010602 234286461 /nfs/dbraw/zinc/28/64/61/234286461.db2.gz ZBAVEXYYLXGHPU-NXEZZACHSA-N 0 1 295.343 0.585 20 5 CCBDMN COC[C@@](C)(CCO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274817982 353164186 /nfs/dbraw/zinc/16/41/86/353164186.db2.gz PSHYHAMVNVSLFP-CYBMUJFWSA-N 0 1 298.295 0.818 20 5 CCBDMN CC1(O)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000277820849 353267853 /nfs/dbraw/zinc/26/78/53/353267853.db2.gz WLWXKIYIVLQDLC-UHFFFAOYSA-N 0 1 276.252 0.678 20 5 CCBDMN Cc1cc(C(=O)NCc2nnc[nH]2)cc([N+](=O)[O-])c1 ZINC000134426438 137661474 /nfs/dbraw/zinc/66/14/74/137661474.db2.gz DPSVBTNMCOUOCY-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CCO)CC(F)F)c1[N+](=O)[O-] ZINC000279806504 353317403 /nfs/dbraw/zinc/31/74/03/353317403.db2.gz NJQOCCGJBAUDFO-UHFFFAOYSA-N 0 1 292.242 0.580 20 5 CCBDMN COC(=O)CC1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC1 ZINC000280261244 353350663 /nfs/dbraw/zinc/35/06/63/353350663.db2.gz YYZXQTWERUTLFZ-UHFFFAOYSA-N 0 1 296.283 0.924 20 5 CCBDMN O=C(NC1(c2nnc[nH]2)CCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000280667595 353374644 /nfs/dbraw/zinc/37/46/44/353374644.db2.gz FYRXCABOSTXXME-UHFFFAOYSA-N 0 1 276.256 0.850 20 5 CCBDMN CN(CCC(N)=O)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000286308678 353576902 /nfs/dbraw/zinc/57/69/02/353576902.db2.gz WQZBLGONXQUOBT-UHFFFAOYSA-N 0 1 267.241 0.248 20 5 CCBDMN CN1CC2(C1)CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)C2 ZINC000618920891 366122381 /nfs/dbraw/zinc/12/23/81/366122381.db2.gz HZZJGTJOGFWEJH-UHFFFAOYSA-N 0 1 293.327 0.346 20 5 CCBDMN C[C@@H](O)CN1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000331053016 354430542 /nfs/dbraw/zinc/43/05/42/354430542.db2.gz JHHWDLDJWHLXAQ-WDEREUQCSA-N 0 1 297.359 0.215 20 5 CCBDMN C[C@H](O)CN1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000331053013 354430371 /nfs/dbraw/zinc/43/03/71/354430371.db2.gz JHHWDLDJWHLXAQ-MNOVXSKESA-N 0 1 297.359 0.215 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCn2ncnc2C1 ZINC000332650139 354710563 /nfs/dbraw/zinc/71/05/63/354710563.db2.gz TYHLFQHQFHRVHM-UHFFFAOYSA-N 0 1 275.268 0.908 20 5 CCBDMN COC[C@@H](C(N)=O)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339365290 355502921 /nfs/dbraw/zinc/50/29/21/355502921.db2.gz YZMQRYVIJHWKEX-NSHDSACASA-N 0 1 283.284 0.233 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000341350369 355657918 /nfs/dbraw/zinc/65/79/18/355657918.db2.gz BVXLMGMSRWEBCD-SSDOTTSWSA-N 0 1 270.289 0.723 20 5 CCBDMN CN1CC[C@@H]2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])[C@@H]2C1 ZINC000558754076 291072426 /nfs/dbraw/zinc/07/24/26/291072426.db2.gz KLGVGLBJPGBNPV-PSASIEDQSA-N 0 1 279.300 0.484 20 5 CCBDMN CCc1nc([C@H](C)Nc2ncc([N+](=O)[O-])c(N)n2)n[nH]1 ZINC000342799121 355749747 /nfs/dbraw/zinc/74/97/47/355749747.db2.gz ZXHFRZMSZYCOGR-YFKPBYRVSA-N 0 1 278.276 0.651 20 5 CCBDMN Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])n2C)n[nH]1 ZINC000609594919 363508094 /nfs/dbraw/zinc/50/80/94/363508094.db2.gz JGRZDISCUMSCNO-UHFFFAOYSA-N 0 1 263.257 0.895 20 5 CCBDMN O=C(NC[C@@H]1CN2CCN1CCC2)c1ccc([N+](=O)[O-])o1 ZINC000619873374 366367123 /nfs/dbraw/zinc/36/71/23/366367123.db2.gz HYHYMOZYYFWICE-SNVBAGLBSA-N 0 1 294.311 0.308 20 5 CCBDMN Cc1[nH]ncc1CCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356145750 356710999 /nfs/dbraw/zinc/71/09/99/356710999.db2.gz AVPILZRXEUMQPJ-UHFFFAOYSA-N 0 1 292.299 0.722 20 5 CCBDMN COC(=O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356358166 356752557 /nfs/dbraw/zinc/75/25/57/356752557.db2.gz JJPCSXPLNUDKSO-UHFFFAOYSA-N 0 1 254.198 0.203 20 5 CCBDMN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000359635258 356862093 /nfs/dbraw/zinc/86/20/93/356862093.db2.gz NRJSSFMGYJGKHQ-WDEREUQCSA-N 0 1 280.328 0.881 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOCC(F)(F)C1 ZINC000377505373 357581422 /nfs/dbraw/zinc/58/14/22/357581422.db2.gz BGZIVFZRLGPYES-RNFRBKRXSA-N 0 1 250.201 0.146 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CCN3CCC2CC3)n1 ZINC000408162806 357948229 /nfs/dbraw/zinc/94/82/29/357948229.db2.gz ZPTYTZBHXLYDDO-UHFFFAOYSA-N 0 1 279.300 0.249 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000445798560 358247118 /nfs/dbraw/zinc/24/71/18/358247118.db2.gz PZXWCCAGNURAIO-RKDXNWHRSA-N 0 1 281.316 0.462 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C3CC3)C2)n1 ZINC000568465194 358676384 /nfs/dbraw/zinc/67/63/84/358676384.db2.gz DTBONKQUNOJGCT-SECBINFHSA-N 0 1 293.327 0.778 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@@H]1[NH3+] ZINC000568998851 358725200 /nfs/dbraw/zinc/72/52/00/358725200.db2.gz HUXCLWVNWCKXKJ-XVKPBYJWSA-N 0 1 280.284 0.505 20 5 CCBDMN CCN1C[C@H](C)N(C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)C1 ZINC000582370733 359140657 /nfs/dbraw/zinc/14/06/57/359140657.db2.gz YIGTYJGHSMQOJL-UWVGGRQHSA-N 0 1 295.343 0.883 20 5 CCBDMN COCCN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000586775248 359288862 /nfs/dbraw/zinc/28/88/62/359288862.db2.gz AZOIECWEVCUMPL-VIFPVBQESA-N 0 1 297.315 0.159 20 5 CCBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586753498 359283724 /nfs/dbraw/zinc/28/37/24/359283724.db2.gz PTKUVAUVBJACEW-SSDOTTSWSA-N 0 1 265.273 0.284 20 5 CCBDMN Cc1nn(C)c(N2CCc3cn[nH]c3C2)c1[N+](=O)[O-] ZINC000611006602 363648235 /nfs/dbraw/zinc/64/82/35/363648235.db2.gz KKOKDYQAEYPZIE-UHFFFAOYSA-N 0 1 262.273 0.923 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@H]2C[C@H]21 ZINC000590431791 359460337 /nfs/dbraw/zinc/46/03/37/359460337.db2.gz RASQNLVMNQFNRL-MNOVXSKESA-N 0 1 264.237 0.914 20 5 CCBDMN Nc1c(C(=O)Nc2n[nH]c3ncnn23)cccc1[N+](=O)[O-] ZINC000590553154 359483477 /nfs/dbraw/zinc/48/34/77/359483477.db2.gz XBDFDFWZGLZAJD-UHFFFAOYSA-N 0 1 288.227 0.195 20 5 CCBDMN [NH3+]CC1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000563104989 291193463 /nfs/dbraw/zinc/19/34/63/291193463.db2.gz ZAJVVAMWZFVAOD-UHFFFAOYSA-N 0 1 280.284 0.506 20 5 CCBDMN C[C@H](CO)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000611235311 363689696 /nfs/dbraw/zinc/68/96/96/363689696.db2.gz LOMPHSZJPZCQCB-NSHDSACASA-N 0 1 280.328 0.740 20 5 CCBDMN CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)CO1 ZINC000593064718 360025701 /nfs/dbraw/zinc/02/57/01/360025701.db2.gz VMDHPXRFWZGXIH-RAIGVLPGSA-N 0 1 298.343 0.652 20 5 CCBDMN C[C@@H]1[C@@H](C)N(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C)CN1C ZINC000593187287 360051510 /nfs/dbraw/zinc/05/15/10/360051510.db2.gz IWITWPCNUOOZSS-HBNTYKKESA-N 0 1 295.343 0.731 20 5 CCBDMN O=C(NCCC1(CO)CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000593880144 360192091 /nfs/dbraw/zinc/19/20/91/360192091.db2.gz SVQLRMMVTZZMCW-UHFFFAOYSA-N 0 1 268.273 0.600 20 5 CCBDMN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000594004168 360232727 /nfs/dbraw/zinc/23/27/27/360232727.db2.gz WOSDTKRTTIUBIL-RYUDHWBXSA-N 0 1 293.323 0.943 20 5 CCBDMN COC(=O)[C@@](C)(CO)NCc1cc(O)ccc1[N+](=O)[O-] ZINC000595530960 360565690 /nfs/dbraw/zinc/56/56/90/360565690.db2.gz CAAJEQIULNYGRA-GFCCVEGCSA-N 0 1 284.268 0.314 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@]2(O)C[C@H]2C1 ZINC000595757749 360643312 /nfs/dbraw/zinc/64/33/12/360643312.db2.gz PUCAWCVSUBQHLU-GXFFZTMASA-N 0 1 279.296 0.213 20 5 CCBDMN Cc1nc(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)n[nH]1 ZINC000596153469 360814320 /nfs/dbraw/zinc/81/43/20/360814320.db2.gz RQAOIDANDCAYKX-UHFFFAOYSA-N 0 1 290.283 0.775 20 5 CCBDMN Cc1nnc(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[nH]1 ZINC000596153469 360814323 /nfs/dbraw/zinc/81/43/23/360814323.db2.gz RQAOIDANDCAYKX-UHFFFAOYSA-N 0 1 290.283 0.775 20 5 CCBDMN C[NH+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000180863594 189280388 /nfs/dbraw/zinc/28/03/88/189280388.db2.gz JMWUNPMVIONBQZ-SECBINFHSA-N 0 1 294.311 0.719 20 5 CCBDMN CN1CCC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000611598795 363750254 /nfs/dbraw/zinc/75/02/54/363750254.db2.gz ADASUWKJLAMWHZ-VIFPVBQESA-N 0 1 279.300 0.627 20 5 CCBDMN [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000598668511 361477124 /nfs/dbraw/zinc/47/71/24/361477124.db2.gz VYCLMIMMBJUJRT-SDBXPKJASA-N 0 1 292.295 0.649 20 5 CCBDMN NC(=O)c1cccc([N+](=O)[O-])c1NCCN1CC[C@@H](O)C1 ZINC000599175532 361598506 /nfs/dbraw/zinc/59/85/06/361598506.db2.gz DZMNETLMGBJVCK-SECBINFHSA-N 0 1 294.311 0.172 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@]2(C)CC2(C)C)n1 ZINC000599349118 361664127 /nfs/dbraw/zinc/66/41/27/361664127.db2.gz DPEXNDXEJLXTHV-SNVBAGLBSA-N 0 1 288.329 0.795 20 5 CCBDMN COC[C@@](C)(CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000614043983 364473018 /nfs/dbraw/zinc/47/30/18/364473018.db2.gz GKWDJBJNZJVNDV-GFCCVEGCSA-N 0 1 284.268 0.428 20 5 CCBDMN CNC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496651955 240288898 /nfs/dbraw/zinc/28/88/98/240288898.db2.gz UFDFVYFQLSLHDX-IVZWLZJFSA-N 0 1 285.300 0.389 20 5 CCBDMN COC(=O)c1cnc(NCc2c[nH]nn2)c([N+](=O)[O-])c1 ZINC000616374505 365295357 /nfs/dbraw/zinc/29/53/57/365295357.db2.gz BYQXABWDYZVFCM-UHFFFAOYSA-N 0 1 278.228 0.507 20 5 CCBDMN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338982978 284152946 /nfs/dbraw/zinc/15/29/46/284152946.db2.gz NUFBKUVSHBZLIB-PWSUYJOCSA-N 0 1 296.279 0.409 20 5 CCBDMN COC[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CCO1 ZINC000330910842 203379714 /nfs/dbraw/zinc/37/97/14/203379714.db2.gz PVNZMAVIEOVADS-MRVPVSSYSA-N 0 1 284.272 0.114 20 5 CCBDMN O=C(NOC[C@H]1CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000276457118 193338039 /nfs/dbraw/zinc/33/80/39/193338039.db2.gz NGKLRYNCHOYZGS-QMMMGPOBSA-N 0 1 282.252 0.998 20 5 CCBDMN Cc1nn(CCC(=O)N2CCN[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000237593549 189883610 /nfs/dbraw/zinc/88/36/10/189883610.db2.gz ILGQRFKSZWZHPK-VIFPVBQESA-N 0 1 295.343 0.619 20 5 CCBDMN CNc1ccc(C(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000516103398 249151968 /nfs/dbraw/zinc/15/19/68/249151968.db2.gz MRZJEUMYXGNCAR-UHFFFAOYSA-N 0 1 264.285 0.682 20 5 CCBDMN CC(C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ncon1 ZINC000278785823 194154982 /nfs/dbraw/zinc/15/49/82/194154982.db2.gz ZHIDUSGSDCTCEE-ZETCQYMHSA-N 0 1 280.244 0.828 20 5 CCBDMN CN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@@H]2C1 ZINC000285048144 388788218 /nfs/dbraw/zinc/78/82/18/388788218.db2.gz QBCHOGQCALCTCU-GHMZBOCLSA-N 0 1 294.311 0.468 20 5 CCBDMN CC(C)N1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000186892169 388858676 /nfs/dbraw/zinc/85/86/76/388858676.db2.gz JJHUSCHZIBNZOL-UHFFFAOYSA-N 0 1 294.311 0.862 20 5 CCBDMN CC[C@@H](C)[C@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000160029732 389377956 /nfs/dbraw/zinc/37/79/56/389377956.db2.gz SMERTFXKJUKWSZ-HTRCEHHLSA-N 0 1 256.262 0.455 20 5 CCBDMN COC[C@H](O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000268650029 389387024 /nfs/dbraw/zinc/38/70/24/389387024.db2.gz OQIGYUNZKOMXCU-MRVPVSSYSA-N 0 1 294.267 0.208 20 5 CCBDMN CC1=CCN(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000347239600 389349266 /nfs/dbraw/zinc/34/92/66/389349266.db2.gz DSWWLQSDUABNCK-UHFFFAOYSA-N 0 1 279.300 0.700 20 5 CCBDMN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411626057 389439116 /nfs/dbraw/zinc/43/91/16/389439116.db2.gz YODADCZJCYEKLO-UHFFFAOYSA-N 0 1 294.311 0.731 20 5 CCBDMN CC(=O)N1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176200001 389553934 /nfs/dbraw/zinc/55/39/34/389553934.db2.gz VPUJQRIQXLVTSW-UHFFFAOYSA-N 0 1 281.316 0.346 20 5 CCBDMN CCc1n[nH]c(C(=O)N[C@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC000351671202 389653907 /nfs/dbraw/zinc/65/39/07/389653907.db2.gz BUPDMCUZKVFODA-RXMQYKEDSA-N 0 1 279.260 0.489 20 5 CCBDMN Cc1c([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cnn1C ZINC000179483427 389657021 /nfs/dbraw/zinc/65/70/21/389657021.db2.gz RPEUDOBOLWYZQM-LURJTMIESA-N 0 1 278.272 0.851 20 5 CCBDMN O=C(NCC1(CCO)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000428844336 389723405 /nfs/dbraw/zinc/72/34/05/389723405.db2.gz WSKVZYPXLBFNFC-UHFFFAOYSA-N 0 1 254.246 0.210 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCO[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000408279231 389839391 /nfs/dbraw/zinc/83/93/91/389839391.db2.gz IKMVENXYILMHHA-GFCCVEGCSA-N 0 1 296.283 0.258 20 5 CCBDMN O=C(NCCC1CC(O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000432482179 389882095 /nfs/dbraw/zinc/88/20/95/389882095.db2.gz YJBQRGWQGPZKTD-UHFFFAOYSA-N 0 1 254.246 0.209 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000444716949 389915559 /nfs/dbraw/zinc/91/55/59/389915559.db2.gz QRKXCZPQDKOENL-TXEJJXNPSA-N 0 1 268.269 0.011 20 5 CCBDMN O=C(NCC[NH+]1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436958077 389987620 /nfs/dbraw/zinc/98/76/20/389987620.db2.gz DECZTVZJCNPTME-UHFFFAOYSA-N 0 1 265.269 0.736 20 5 CCBDMN C[N@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436937486 389987923 /nfs/dbraw/zinc/98/79/23/389987923.db2.gz ISLKPAFYHXFKTL-ZDUSSCGKSA-N 0 1 295.295 0.097 20 5 CCBDMN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[N@@H+]1C ZINC000439946445 390028660 /nfs/dbraw/zinc/02/86/60/390028660.db2.gz BSZDRPDKVSUXII-BDAKNGLRSA-N 0 1 294.311 0.908 20 5 CCBDMN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[N@H+]1C ZINC000439946445 390028662 /nfs/dbraw/zinc/02/86/62/390028662.db2.gz BSZDRPDKVSUXII-BDAKNGLRSA-N 0 1 294.311 0.908 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000537123109 390173806 /nfs/dbraw/zinc/17/38/06/390173806.db2.gz CRIIXBRNVSEBPR-ZETCQYMHSA-N 0 1 291.271 0.456 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)CCCO)c1[N+](=O)[O-] ZINC000281736533 195358591 /nfs/dbraw/zinc/35/85/91/195358591.db2.gz IBSWMXYGAPRJDY-UHFFFAOYSA-N 0 1 270.289 0.725 20 5 CCBDMN C[NH+](C)CC1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC1 ZINC000281823128 195397924 /nfs/dbraw/zinc/39/79/24/195397924.db2.gz VUWDRLADLLKHSA-UHFFFAOYSA-N 0 1 294.311 0.910 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CCN2CCCC2=O)c1[N+](=O)[O-] ZINC000522159103 390627944 /nfs/dbraw/zinc/62/79/44/390627944.db2.gz QDQFEJLIFCTBCD-UHFFFAOYSA-N 0 1 295.299 0.321 20 5 CCBDMN Cc1cc(=O)n(Cc2nc(C(C)(C)N)no2)cc1[N+](=O)[O-] ZINC000521039733 390593213 /nfs/dbraw/zinc/59/32/13/390593213.db2.gz MQSMIBQLFBGYHQ-UHFFFAOYSA-N 0 1 293.283 0.690 20 5 CCBDMN CC[C@H]1C[N@@H+](C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572562052 390789690 /nfs/dbraw/zinc/78/96/90/390789690.db2.gz IRUXSHNQNZAECW-WCQYABFASA-N 0 1 297.359 0.178 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000575002177 390830443 /nfs/dbraw/zinc/83/04/43/390830443.db2.gz ZDFUGNTZTFJHBF-DTORHVGOSA-N 0 1 281.316 0.873 20 5 CCBDMN Cc1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2)[nH]n1C ZINC000355794156 143951022 /nfs/dbraw/zinc/95/10/22/143951022.db2.gz DPRHHXUKRBPDOE-UHFFFAOYSA-N 0 1 261.241 0.706 20 5 CCBDMN O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000371732796 144342528 /nfs/dbraw/zinc/34/25/28/144342528.db2.gz PRIKOAXLZVCEQV-OPRDCNLKSA-N 0 1 296.304 0.296 20 5 CCBDMN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccn(C)n1 ZINC000582117282 397583089 /nfs/dbraw/zinc/58/30/89/397583089.db2.gz KNYRRKNQVATTGU-KOLCDFICSA-N 0 1 294.315 0.237 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000035302664 172116299 /nfs/dbraw/zinc/11/62/99/172116299.db2.gz TWHMVNNLLVOZIT-SECBINFHSA-N 0 1 268.273 0.649 20 5 CCBDMN O=C(NCc1ccc(CO)c(F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000179599975 260057519 /nfs/dbraw/zinc/05/75/19/260057519.db2.gz RIWSRAABDMAGES-UHFFFAOYSA-N 0 1 294.242 0.879 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])nn2C)[C@@H](C)C1 ZINC000344418816 276240144 /nfs/dbraw/zinc/24/01/44/276240144.db2.gz JAUQLTJVADSUKV-AOOOYVTPSA-N 0 1 295.343 0.883 20 5 CCBDMN C[C@@H](C[NH3+])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262450917 278250572 /nfs/dbraw/zinc/25/05/72/278250572.db2.gz FHQBUZQZCAIUFF-LURJTMIESA-N 0 1 293.732 0.874 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCn3cnnc3[C@@H]2C)c1[N+](=O)[O-] ZINC000360722639 280189122 /nfs/dbraw/zinc/18/91/22/280189122.db2.gz PMPWKSCEIRBGKX-ZETCQYMHSA-N 0 1 291.271 0.435 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCc3cn[nH]c32)n1 ZINC000331546170 294310506 /nfs/dbraw/zinc/31/05/06/294310506.db2.gz NNJIXVGBUXTHDU-MRVPVSSYSA-N 0 1 290.283 0.859 20 5 CCBDMN C[C@@H]1NCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262168788 297549563 /nfs/dbraw/zinc/54/95/63/297549563.db2.gz AOFQXTMOJRSHMD-UWVGGRQHSA-N 0 1 299.352 0.966 20 5 CCBDMN O=C(NC[C@H]1CCCC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000356968649 526590668 /nfs/dbraw/zinc/59/06/68/526590668.db2.gz JLAPBLUFVNRTQF-ZCFIWIBFSA-N 0 1 252.230 0.417 20 5 CCBDMN CC1(C)CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1 ZINC000417907584 529086156 /nfs/dbraw/zinc/08/61/56/529086156.db2.gz HBZDDLIPPZDPGE-UHFFFAOYSA-N 0 1 296.331 0.185 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000362362704 535999616 /nfs/dbraw/zinc/99/96/16/535999616.db2.gz WJGTWCJZKVQQHQ-ZETCQYMHSA-N 0 1 295.299 0.218 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(n2cncn2)C1 ZINC000780468812 581229509 /nfs/dbraw/zinc/22/95/09/581229509.db2.gz QKZFTJAXSLHPNN-UHFFFAOYSA-N 0 1 289.251 0.589 20 5 CCBDMN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 ZINC000795234203 581401915 /nfs/dbraw/zinc/40/19/15/581401915.db2.gz UCZXMYAOAOVTDF-UHFFFAOYSA-N 0 1 252.186 0.971 20 5 CCBDMN Cn1nc(COC(=O)c2cccc([N+](=O)[O-])c2)[nH]c1=O ZINC000765394091 581511392 /nfs/dbraw/zinc/51/13/92/581511392.db2.gz XIAWMDPPOQFLKF-UHFFFAOYSA-N 0 1 278.224 0.374 20 5 CCBDMN CCOC(=O)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769491860 581692124 /nfs/dbraw/zinc/69/21/24/581692124.db2.gz QIRUYMCRLBOCHA-ZETCQYMHSA-N 0 1 282.252 0.982 20 5 CCBDMN C[C@@H]([NH2+]CC(=O)NCC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000820141916 597810126 /nfs/dbraw/zinc/81/01/26/597810126.db2.gz KTBPWDOFESJYMM-MRVPVSSYSA-N 0 1 281.268 0.446 20 5 CCBDMN O=C([O-])C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC000833248189 601378992 /nfs/dbraw/zinc/37/89/92/601378992.db2.gz CUMVQAMVICDLOO-UHFFFAOYSA-N 0 1 298.299 0.357 20 5 CCBDMN C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C(=O)[O-] ZINC000828449301 601531604 /nfs/dbraw/zinc/53/16/04/601531604.db2.gz JWQMWFIQTHIZIC-IUCAKERBSA-N 0 1 268.273 0.444 20 5 CCBDMN C[C@]1(C(=O)[O-])CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000828024055 601939970 /nfs/dbraw/zinc/93/99/70/601939970.db2.gz DWHZKJXNLDXAKP-NSHDSACASA-N 0 1 268.273 0.588 20 5 CCBDMN CC(=O)N(C)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837416473 613701632 /nfs/dbraw/zinc/70/16/32/613701632.db2.gz DLQKQMNZWWPDDE-UHFFFAOYSA-N 0 1 282.252 0.822 20 5 CCBDMN CC(=O)N1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953926969 613807577 /nfs/dbraw/zinc/80/75/77/613807577.db2.gz KFODVGMDQGFWGX-GHMZBOCLSA-N 0 1 269.301 0.121 20 5 CCBDMN CC(C)NCc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000854153409 613961049 /nfs/dbraw/zinc/96/10/49/613961049.db2.gz LQAJLIFKCJKUEU-UHFFFAOYSA-N 0 1 266.261 0.876 20 5 CCBDMN CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(CC[N+](=O)[O-])C2 ZINC000930988030 614006542 /nfs/dbraw/zinc/00/65/42/614006542.db2.gz FMDDZMOMGGOZTR-ZWNOBZJWSA-N 0 1 286.328 0.553 20 5 CCBDMN CCCCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672640 614425330 /nfs/dbraw/zinc/42/53/30/614425330.db2.gz KGVJVOMARMNQTK-IWSPIJDZSA-N 0 1 258.274 0.500 20 5 CCBDMN CCCCNC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672637 614427231 /nfs/dbraw/zinc/42/72/31/614427231.db2.gz KGVJVOMARMNQTK-DJLDLDEBSA-N 0 1 258.274 0.500 20 5 CCBDMN CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840313914 614849171 /nfs/dbraw/zinc/84/91/71/614849171.db2.gz YPLQSYDMUCTFDY-IWSPIJDZSA-N 0 1 287.341 0.031 20 5 CCBDMN CCOC(=O)C1=CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000862878681 615163756 /nfs/dbraw/zinc/16/37/56/615163756.db2.gz VKMXERGHMIEBPS-MRVPVSSYSA-N 0 1 294.267 0.700 20 5 CCBDMN CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1C ZINC000839697551 615178200 /nfs/dbraw/zinc/17/82/00/615178200.db2.gz SSACQJOYXSLLIM-RKDXNWHRSA-N 0 1 281.268 0.806 20 5 CCBDMN CCO[C@@H]1C[C@](CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000840429895 615452231 /nfs/dbraw/zinc/45/22/31/615452231.db2.gz IADOMBULIYLKAG-VWMGYNLJSA-N 0 1 286.328 0.334 20 5 CCBDMN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839598513 615462156 /nfs/dbraw/zinc/46/21/56/615462156.db2.gz OGDMSNNNMXMMHK-BZNPZCIMSA-N 0 1 257.290 0.071 20 5 CCBDMN CCS(=O)(=O)CCCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673489 615530154 /nfs/dbraw/zinc/53/01/54/615530154.db2.gz PTGPTHWOJATGRO-NXEZZACHSA-N 0 1 293.341 0.800 20 5 CCBDMN CCn1ccnc1[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000857282015 615617158 /nfs/dbraw/zinc/61/71/58/615617158.db2.gz ZTOBJFDEENTTJI-IWSPIJDZSA-N 0 1 252.274 0.745 20 5 CCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCOCC1 ZINC000839696029 615808229 /nfs/dbraw/zinc/80/82/29/615808229.db2.gz OJDRAIRUKVGNTF-OUAUKWLOSA-N 0 1 256.302 0.973 20 5 CCBDMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000827823336 615842994 /nfs/dbraw/zinc/84/29/94/615842994.db2.gz UPRWHDOHRCJOHP-SNVBAGLBSA-N 0 1 297.315 0.866 20 5 CCBDMN CN(CC(=O)NCc1ccco1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839458664 616048034 /nfs/dbraw/zinc/04/80/34/616048034.db2.gz VOPFSWBWOSUGGB-NXEZZACHSA-N 0 1 281.268 0.019 20 5 CCBDMN CN(C[C@H]1CCCC[C@@H]1O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839720528 616152137 /nfs/dbraw/zinc/15/21/37/616152137.db2.gz LQKGJVDHZSKERF-DBIOUOCHSA-N 0 1 256.302 0.661 20 5 CCBDMN CN1CC[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819088810 616279811 /nfs/dbraw/zinc/27/98/11/616279811.db2.gz FSDVLLUZTDKCQK-VXGBXAGGSA-N 0 1 279.296 0.449 20 5 CCBDMN COC(OC)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000816614141 616346947 /nfs/dbraw/zinc/34/69/47/616346947.db2.gz OFOIRHSVXSQAKM-RXMQYKEDSA-N 0 1 258.234 0.055 20 5 CCBDMN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000845058261 616380132 /nfs/dbraw/zinc/38/01/32/616380132.db2.gz OBBIBLIBQNSLJX-LMLFDSFASA-N 0 1 282.296 0.309 20 5 CCBDMN CN1CC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000928573873 616423360 /nfs/dbraw/zinc/42/33/60/616423360.db2.gz RNKLVMGOKLKVJW-LBPRGKRZSA-N 0 1 263.297 0.958 20 5 CCBDMN CN1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000928569393 616423557 /nfs/dbraw/zinc/42/35/57/616423557.db2.gz PXIKKRUOTGTAPJ-NSHDSACASA-N 0 1 279.296 0.794 20 5 CCBDMN CN1C[C@H](O)C[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000924991959 616452702 /nfs/dbraw/zinc/45/27/02/616452702.db2.gz NYEDVVIQNOHUDP-CHWSQXEVSA-N 0 1 293.323 0.319 20 5 CCBDMN CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000855350560 616635090 /nfs/dbraw/zinc/63/50/90/616635090.db2.gz UTWWGISDGWVBAI-VSSNEEPJSA-N 0 1 286.328 0.334 20 5 CCBDMN COC(=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000894811043 616698374 /nfs/dbraw/zinc/69/83/74/616698374.db2.gz XKMIQGQLZAQXNN-OUAUKWLOSA-N 0 1 284.312 0.890 20 5 CCBDMN COC(=O)N(C)CCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000852570045 616767343 /nfs/dbraw/zinc/76/73/43/616767343.db2.gz SXMDQVGHDQOGTQ-UHFFFAOYSA-N 0 1 285.304 0.421 20 5 CCBDMN CNC(=O)[C@]1(C)CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886186314 616893664 /nfs/dbraw/zinc/89/36/64/616893664.db2.gz VICYEYIBDUTOHJ-CYBMUJFWSA-N 0 1 278.312 0.948 20 5 CCBDMN COC[C@@](C)(O)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837548779 617027507 /nfs/dbraw/zinc/02/75/07/617027507.db2.gz XEHVFNBQXKSVSA-GFCCVEGCSA-N 0 1 285.252 0.741 20 5 CCBDMN O=C(NCCOC1CCSCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000891222246 624768678 /nfs/dbraw/zinc/76/86/78/624768678.db2.gz OFZHFJYDJOCVDR-NXEZZACHSA-N 0 1 274.342 0.680 20 5 CCBDMN C[C@H](Cn1ncc2ccccc2c1=O)NCC[N+](=O)[O-] ZINC000905192486 634814280 /nfs/dbraw/zinc/81/42/80/634814280.db2.gz UFDWGCJNPMIBJA-SNVBAGLBSA-N 0 1 276.296 0.651 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1NCCN1CCC(O)CC1 ZINC000894107033 631525397 /nfs/dbraw/zinc/52/53/97/631525397.db2.gz WGVYCHJNMQEWTG-UHFFFAOYSA-N 0 1 269.305 0.197 20 5 CCBDMN CS(=O)(=O)Cc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000899873011 633912913 /nfs/dbraw/zinc/91/29/13/633912913.db2.gz GJQPAGNGAOOZCI-UHFFFAOYSA-N 0 1 272.326 0.598 20 5 CCBDMN O=C(NC1CN(C(=O)c2ccsc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991281285 635832459 /nfs/dbraw/zinc/83/24/59/635832459.db2.gz RNIKEKVFMLUUBP-NXEZZACHSA-N 0 1 295.320 0.354 20 5 CCBDMN CCC1(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000991294253 635864039 /nfs/dbraw/zinc/86/40/39/635864039.db2.gz UYGWYCSSWHKEEY-NXEZZACHSA-N 0 1 281.312 0.169 20 5 CCBDMN O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912908577 636697952 /nfs/dbraw/zinc/69/79/52/636697952.db2.gz BAXJAEXJGJOZIN-JTQLQIEISA-N 0 1 292.295 0.616 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912922280 636704011 /nfs/dbraw/zinc/70/40/11/636704011.db2.gz OYDVVKCJYIQJRN-SNVBAGLBSA-N 0 1 278.312 0.854 20 5 CCBDMN Cc1cc(C)nc(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000913606367 637353588 /nfs/dbraw/zinc/35/35/88/637353588.db2.gz JDTZVHJGQKVNPD-GHMZBOCLSA-N 0 1 276.296 0.684 20 5 CCBDMN O=C(/C=C\C1CC1)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001795103 639339425 /nfs/dbraw/zinc/33/94/25/639339425.db2.gz ARERKPSIKSNNCR-OPVGQWETSA-N 0 1 293.323 0.192 20 5 CCBDMN CC1(C(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCC1 ZINC001001798747 639340565 /nfs/dbraw/zinc/34/05/65/639340565.db2.gz HPPVSRRVWWATGE-GHMZBOCLSA-N 0 1 295.339 0.416 20 5 CCBDMN O=C(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCc1ccccc1 ZINC000839612009 640348815 /nfs/dbraw/zinc/34/88/15/640348815.db2.gz MBFMILSNSJCNPM-VXGBXAGGSA-N 0 1 291.307 0.474 20 5 CCBDMN O=C(N[C@@H](CCO)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839705656 640354995 /nfs/dbraw/zinc/35/49/95/640354995.db2.gz JNRBQNZRYVBOTF-GRYCIOLGSA-N 0 1 264.281 0.892 20 5 CCBDMN O=C(NCCOCC(F)(F)C(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839739704 640361208 /nfs/dbraw/zinc/36/12/08/640361208.db2.gz KZFAZNAWPXLDKV-PHDIDXHHSA-N 0 1 288.197 0.685 20 5 CCBDMN Cn1cc2c(n1)CCC[C@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839759729 640363079 /nfs/dbraw/zinc/36/30/79/640363079.db2.gz QFRBWRYWTHPFCT-BCMRRPTOSA-N 0 1 264.285 0.579 20 5 CCBDMN C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CNC(=O)C1 ZINC000802202416 640691710 /nfs/dbraw/zinc/69/17/10/640691710.db2.gz OCPSLJLALQSTJL-NSHDSACASA-N 0 1 267.241 0.606 20 5 CCBDMN O=C(O[C@H]1CNOC1)c1cccc([N+](=O)[O-])c1O ZINC000808092905 640848314 /nfs/dbraw/zinc/84/83/14/640848314.db2.gz FYWXNGVTBQRRIM-LURJTMIESA-N 0 1 254.198 0.361 20 5 CCBDMN C[C@@H](CS(C)(=O)=O)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840347690 641270471 /nfs/dbraw/zinc/27/04/71/641270471.db2.gz XBXOZDHCRIUCCW-FXBDTBDDSA-N 0 1 290.341 0.076 20 5 CCBDMN Cc1cc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1C ZINC000830615455 642276438 /nfs/dbraw/zinc/27/64/38/642276438.db2.gz TWJQBPDHDREGDN-NXEZZACHSA-N 0 1 252.274 0.052 20 5 CCBDMN C[C@H](Oc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1)C(N)=O ZINC000841128284 642804382 /nfs/dbraw/zinc/80/43/82/642804382.db2.gz RXNVKBLJOLGAJF-WHGOUJPWSA-N 0 1 294.263 0.510 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2cncc(F)c2)CC1 ZINC000847947647 643566746 /nfs/dbraw/zinc/56/67/46/643566746.db2.gz YJCPUTHVANWXLZ-VXGBXAGGSA-N 0 1 294.286 0.535 20 5 CCBDMN O=C(O[C@@H]1COC[C@H]1n1ccnn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000847986957 643569932 /nfs/dbraw/zinc/56/99/32/643569932.db2.gz TWKMKKPHYOSRAE-RKDXNWHRSA-N 0 1 293.239 0.311 20 5 CCBDMN C[C@@H](N[C@H]1CCNC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850480457 643802773 /nfs/dbraw/zinc/80/27/73/643802773.db2.gz BMNXNVQZSFUICG-XCBNKYQSSA-N 0 1 264.285 0.716 20 5 CCBDMN C[C@]1(C2CC2)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000855294089 644302767 /nfs/dbraw/zinc/30/27/67/644302767.db2.gz NAEDBMPVICAFHB-CKYFFXLPSA-N 0 1 254.286 0.679 20 5 CCBDMN C[C@H]1COC2(CCC2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855523789 644331365 /nfs/dbraw/zinc/33/13/65/644331365.db2.gz RGMMOQUZTVQDKW-IVZWLZJFSA-N 0 1 254.286 0.822 20 5 CCBDMN C[C@]1(C(F)F)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000856497484 644424609 /nfs/dbraw/zinc/42/46/09/644424609.db2.gz VJBOMOVJGBYKFP-BRDIYROLSA-N 0 1 264.228 0.534 20 5 CCBDMN O=C([N-]C1C[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765401 644557560 /nfs/dbraw/zinc/55/75/60/644557560.db2.gz QCTDAVQUXCZJAZ-UHFFFAOYSA-N 0 1 287.222 0.654 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)OCCN1CCC1 ZINC000861384876 644874906 /nfs/dbraw/zinc/87/49/06/644874906.db2.gz FJKAXEZCPMMNBE-UHFFFAOYSA-N 0 1 254.246 0.040 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(Cc2ccco2)C1 ZINC000862866045 645043902 /nfs/dbraw/zinc/04/39/02/645043902.db2.gz UOVPSKMUHZWJGZ-GHMZBOCLSA-N 0 1 250.254 0.946 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(=O)NC[C@H]1c1ccccc1 ZINC000886845382 648024125 /nfs/dbraw/zinc/02/41/25/648024125.db2.gz GAOGPYHKISCORR-UTUOFQBUSA-N 0 1 289.291 0.351 20 5 CCBDMN O=C(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC000887271472 648086438 /nfs/dbraw/zinc/08/64/38/648086438.db2.gz NYRCXOVUUJCRIC-NXEZZACHSA-N 0 1 284.218 0.929 20 5 CCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@@H](O)CN1C ZINC000924982994 648394027 /nfs/dbraw/zinc/39/40/27/648394027.db2.gz ZHJFKJKLNWHQIP-WDEREUQCSA-N 0 1 293.323 0.698 20 5 CCBDMN O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000931612919 649009657 /nfs/dbraw/zinc/00/96/57/649009657.db2.gz RNGGMLHITRULCQ-UPJWGTAASA-N 0 1 299.371 0.395 20 5 CCBDMN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000932346297 649067829 /nfs/dbraw/zinc/06/78/29/649067829.db2.gz NDRTWFWMOAJOCB-JTQLQIEISA-N 0 1 254.290 0.902 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000935192292 649217063 /nfs/dbraw/zinc/21/70/63/649217063.db2.gz RRBLWKACHOTIHB-ZJUUUORDSA-N 0 1 295.343 0.651 20 5 CCBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCCF ZINC000304122883 649830673 /nfs/dbraw/zinc/83/06/73/649830673.db2.gz BAYZSDGLSWJCDF-UHFFFAOYSA-N 0 1 266.225 0.982 20 5 CCBDMN COc1ncc([N+](=O)[O-])c(N[C@H]2CCN(C)C2)n1 ZINC001167269933 790766300 /nfs/dbraw/zinc/76/63/00/790766300.db2.gz FACOMTKUHFAWKY-ZETCQYMHSA-N 0 1 253.262 0.509 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CCS(=O)(=O)C2)n1 ZINC001231259289 805763903 /nfs/dbraw/zinc/76/39/03/805763903.db2.gz JCRXZPJTHOHPHL-SSDOTTSWSA-N 0 1 288.281 0.570 20 5 CCBDMN O=C(NCc1n[nH]c(CO)n1)c1ccccc1[N+](=O)[O-] ZINC001167491719 791308734 /nfs/dbraw/zinc/30/87/34/791308734.db2.gz FUCNDVMNKHRAPA-UHFFFAOYSA-N 0 1 277.240 0.135 20 5 CCBDMN O=C(NCc1nnc(CO)[nH]1)c1ccccc1[N+](=O)[O-] ZINC001167491719 791308741 /nfs/dbraw/zinc/30/87/41/791308741.db2.gz FUCNDVMNKHRAPA-UHFFFAOYSA-N 0 1 277.240 0.135 20 5 CCBDMN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@H]2CC[N@H+](C)C2)n1 ZINC001234912012 806312540 /nfs/dbraw/zinc/31/25/40/806312540.db2.gz RYGICMMBXLNEGF-VIFPVBQESA-N 0 1 295.299 0.735 20 5 CCBDMN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@H]2CCN(C)C2)n1 ZINC001234912012 806312549 /nfs/dbraw/zinc/31/25/49/806312549.db2.gz RYGICMMBXLNEGF-VIFPVBQESA-N 0 1 295.299 0.735 20 5 CCBDMN O=C(NN1CCCC1=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001152106717 800492323 /nfs/dbraw/zinc/49/23/23/800492323.db2.gz OFZZHSSZPGCJAH-UHFFFAOYSA-N 0 1 273.636 0.239 20 5 CCBDMN Cc1ncc([N+](=O)[O-])c(-n2c(C)ncc(CN)c2=N)n1 ZINC001156828784 801243948 /nfs/dbraw/zinc/24/39/48/801243948.db2.gz DXQBMUZTOTUXPQ-UHFFFAOYSA-N 0 1 275.272 0.126 20 5 CCBDMN O=[N+]([O-])c1cc[n+]([O-])c(N2CCN3CC[C@@H]3C2)c1 ZINC001158425463 801645161 /nfs/dbraw/zinc/64/51/61/801645161.db2.gz OYIZJNQZRLUMFH-SNVBAGLBSA-N 0 1 250.258 0.123 20 5 CCBDMN CCOC(=O)c1c(CN)ncn1-c1ncc([N+](=O)[O-])cn1 ZINC001162531207 802359921 /nfs/dbraw/zinc/35/99/21/802359921.db2.gz SYXABFFASIYQNA-UHFFFAOYSA-N 0 1 292.255 0.206 20 5 CCBDMN Cc1nc([C@H](C)Nc2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC001163242812 802515493 /nfs/dbraw/zinc/51/54/93/802515493.db2.gz SYUQRRYGXKDNKR-YFKPBYRVSA-N 0 1 251.250 0.928 20 5 CCBDMN Cc1nnc(CN)n1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001163346412 802539160 /nfs/dbraw/zinc/53/91/60/802539160.db2.gz PAUWDXHNFYYKMY-UHFFFAOYSA-N 0 1 285.267 0.886 20 5 CCBDMN Cc1nc(OC[C@H]2COC(C)(C)O2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229376410 805526660 /nfs/dbraw/zinc/52/66/60/805526660.db2.gz UTHNZEPPPSOXNR-ZETCQYMHSA-N 0 1 285.256 0.929 20 5 CCBDMN Cc1nc(OC2COCOC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375571 805527029 /nfs/dbraw/zinc/52/70/29/805527029.db2.gz HSHGMBOFVVDCMK-UHFFFAOYSA-N 0 1 257.202 0.151 20 5 CCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1noc(C)n1 ZINC001126889309 815193431 /nfs/dbraw/zinc/19/34/31/815193431.db2.gz QUXVRNWHSZGBQB-BWZBUEFSSA-N 0 1 254.246 0.611 20 5 CCBDMN C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C(=O)[O-] ZINC001261481663 808992092 /nfs/dbraw/zinc/99/20/92/808992092.db2.gz JNGNLSLRLRJWDV-ZJUUUORDSA-N 0 1 282.300 0.834 20 5 CCBDMN CC(C)c1noc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126936834 815323281 /nfs/dbraw/zinc/32/32/81/815323281.db2.gz TZDSOQDSAUBXSR-RKDXNWHRSA-N 0 1 297.315 0.064 20 5 CCBDMN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC001279187437 809970973 /nfs/dbraw/zinc/97/09/73/809970973.db2.gz FXJDYSWKITYEBX-UHFFFAOYSA-N 0 1 262.229 0.313 20 5 CCBDMN COc1cc(C(=O)Nc2c([N+](=O)[O-])cnn2C)on1 ZINC001128321279 818183827 /nfs/dbraw/zinc/18/38/27/818183827.db2.gz MPVJWLFXKHVRJU-UHFFFAOYSA-N 0 1 267.201 0.577 20 5 CCBDMN C/C=C(/C)C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989159 820127469 /nfs/dbraw/zinc/12/74/69/820127469.db2.gz QHCOXXZRNHGUDW-GIGCTMKZSA-N 0 1 295.339 0.773 20 5 CCBDMN COc1nc(N2CC(N(C)C)C2)nc(OC)c1[N+](=O)[O-] ZINC001163933594 820452539 /nfs/dbraw/zinc/45/25/39/820452539.db2.gz KIXABUABYQLLOY-UHFFFAOYSA-N 0 1 283.288 0.152 20 5 CCBDMN CCN(C(=O)C1(C)CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079902445 820480253 /nfs/dbraw/zinc/48/02/53/820480253.db2.gz ACOOXXAWWGCUFI-GHMZBOCLSA-N 0 1 295.339 0.511 20 5 CCBDMN Cc1ccc2c(ccnc2-n2nnnc2CN)c1[N+](=O)[O-] ZINC001168918676 836048009 /nfs/dbraw/zinc/04/80/09/836048009.db2.gz JVGWDLWNULLUKP-UHFFFAOYSA-N 0 1 285.267 0.886 20 5 CCBDMN NCc1nnnn1-c1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001168921198 836052534 /nfs/dbraw/zinc/05/25/34/836052534.db2.gz USQGWIQWKUDEBH-UHFFFAOYSA-N 0 1 289.230 0.717 20 5 CCBDMN NCc1nnnn1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC001168920418 836053071 /nfs/dbraw/zinc/05/30/71/836053071.db2.gz QLPAJOVYNCPOOG-UHFFFAOYSA-N 0 1 271.240 0.577 20 5 CCBDMN CCOC(=O)[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169012718 836099141 /nfs/dbraw/zinc/09/91/41/836099141.db2.gz RYPUNPJUMKHKHF-SDDRHHMPSA-N 0 1 298.339 0.886 20 5 CCBDMN COC(=O)c1n[nH]cc1Nc1cc([N+](=O)[O-])c(C)c[n+]1[O-] ZINC001169571095 836360529 /nfs/dbraw/zinc/36/05/29/836360529.db2.gz FNGCEEJFOJTGBZ-UHFFFAOYSA-N 0 1 293.239 0.790 20 5 CCBDMN COc1ccc(NCC2CN(C)C2)nc1[N+](=O)[O-] ZINC001170253332 837285299 /nfs/dbraw/zinc/28/52/99/837285299.db2.gz YRAYFNZMJXSYPW-UHFFFAOYSA-N 0 1 252.274 0.972 20 5 CCBDMN CCNC(=O)[C@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105855542 838615703 /nfs/dbraw/zinc/61/57/03/838615703.db2.gz GWEQCTNVDBPBNS-CABZTGNLSA-N 0 1 281.312 0.742 20 5 CCBDMN CC[C@@](N)(CO)Nc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001170860982 839450683 /nfs/dbraw/zinc/45/06/83/839450683.db2.gz ZLYQVCOEUCSAKK-NSHDSACASA-N 0 1 265.273 0.940 20 5 CCBDMN CC[C@](N)(CO)Nc1cnc([N+](=O)[O-])c(OC)c1 ZINC001170863024 839457175 /nfs/dbraw/zinc/45/71/75/839457175.db2.gz LEGZHURKXIKMGS-SNVBAGLBSA-N 0 1 256.262 0.468 20 5 CCBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CN(C)CCN1C ZINC001136874806 839794694 /nfs/dbraw/zinc/79/46/94/839794694.db2.gz TZYZIHSIRPHETJ-BXKDBHETSA-N 0 1 295.343 0.287 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)c1ncn[nH]1 ZINC001093793146 841459837 /nfs/dbraw/zinc/45/98/37/841459837.db2.gz CPEQEPLZXZMWBI-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)c1nc[nH]n1 ZINC001093793146 841459845 /nfs/dbraw/zinc/45/98/45/841459845.db2.gz CPEQEPLZXZMWBI-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1CS(=O)(=O)C1 ZINC001173213086 842021985 /nfs/dbraw/zinc/02/19/85/842021985.db2.gz DPOQFGHKUFCYPW-SECBINFHSA-N 0 1 284.337 0.912 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CC[C@](O)(C(F)F)C2)c1 ZINC001194477413 846305882 /nfs/dbraw/zinc/30/58/82/846305882.db2.gz LHHPQRDVBCDISC-SNVBAGLBSA-N 0 1 276.243 0.493 20 5 CCBDMN Cc1conc1CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042711599 850742355 /nfs/dbraw/zinc/74/23/55/850742355.db2.gz YRHDNOLOXYDTFW-ZYHUDNBSSA-N 0 1 294.311 0.291 20 5 CCBDMN Cn1c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])nnc1C1CC1 ZINC001116593466 855794655 /nfs/dbraw/zinc/79/46/55/855794655.db2.gz SXPHKXUVEGCSHA-UHFFFAOYSA-N 0 1 291.271 0.254 20 5 CCBDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001118238392 856219224 /nfs/dbraw/zinc/21/92/24/856219224.db2.gz GHWPXDNDFCFRQG-NXEZZACHSA-N 0 1 282.300 0.976 20 5 CCBDMN Cc1cc[nH]c1C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284515648 893596727 /nfs/dbraw/zinc/59/67/27/893596727.db2.gz BYUXVYIOZBHERJ-NXEZZACHSA-N 0 1 294.311 0.177 20 5 CCBDMN Cc1nc(N2CCC[N@@H+](CC(=O)[O-])CC2)ncc1[N+](=O)[O-] ZINC001326421905 913946724 /nfs/dbraw/zinc/94/67/24/913946724.db2.gz ZYAXVSGHKCERSV-UHFFFAOYSA-N 0 1 295.299 0.290 20 5 CCBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@](C)(O)C(=O)[O-] ZINC001327538692 914601819 /nfs/dbraw/zinc/60/18/19/914601819.db2.gz WCAOTAUJXJQAHY-ZDUSSCGKSA-N 0 1 282.296 0.905 20 5 CCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CCCCC1 ZINC001296064382 906860641 /nfs/dbraw/zinc/86/06/41/906860641.db2.gz AZDHXNNMWIGDLP-VXGBXAGGSA-N 0 1 297.355 0.807 20 5 CCBDMN C/C=C(\C)C(=O)NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001296566105 906932434 /nfs/dbraw/zinc/93/24/34/906932434.db2.gz JPIBCNRGIPDART-UHTQEIBISA-N 0 1 295.339 0.725 20 5 CCBDMN CCC(CC)CC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001297149651 907029486 /nfs/dbraw/zinc/02/94/86/907029486.db2.gz KPKRJIIHEFAGKY-VXGBXAGGSA-N 0 1 297.355 0.805 20 5 CCBDMN O=C1COc2ccccc2N1CCNCC[N+](=O)[O-] ZINC001337853428 921298895 /nfs/dbraw/zinc/29/88/95/921298895.db2.gz IUTMLONLFNITNA-UHFFFAOYSA-N 0 1 265.269 0.278 20 5 CCBDMN C[C@@]1(CO)C[C@@H](O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001301121053 907954185 /nfs/dbraw/zinc/95/41/85/907954185.db2.gz AYSZXNQMNXZRIO-YPMHNXCESA-N 0 1 296.279 0.258 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](O)CC(C)(C)C2)c1[N+](=O)[O-] ZINC001302517459 908028275 /nfs/dbraw/zinc/02/82/75/908028275.db2.gz MEKAVALJYYWSDF-MRVPVSSYSA-N 0 1 282.300 0.859 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2ncon2)CC1 ZINC001303854685 908120682 /nfs/dbraw/zinc/12/06/82/908120682.db2.gz DUCTYSURHMZOHR-RKDXNWHRSA-N 0 1 266.257 0.441 20 5 CCBDMN CC(C)(C)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001318021201 909581062 /nfs/dbraw/zinc/58/10/62/909581062.db2.gz CWNBXBMPQQACAV-UHFFFAOYSA-N 0 1 296.331 0.129 20 5 CCBDMN CCC(CC)C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001349728683 925035027 /nfs/dbraw/zinc/03/50/27/925035027.db2.gz MLXSXAZTDLTMSK-GHMZBOCLSA-N 0 1 285.344 0.710 20 5 CCBDMN CN(CCNC(=O)C=C1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355543087 926280229 /nfs/dbraw/zinc/28/02/29/926280229.db2.gz NVXXZQVARUQDNJ-GHMZBOCLSA-N 0 1 281.312 0.337 20 5 CCBDMN CC(C)(C)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001357577989 926563300 /nfs/dbraw/zinc/56/33/00/926563300.db2.gz GOYQYNKQFYDZKG-XKFHPXPTSA-N 0 1 297.355 0.876 20 5 CCBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccs1 ZINC001545835607 929486393 /nfs/dbraw/zinc/48/63/93/929486393.db2.gz GMFPNTYJXGTEDS-UHFFFAOYSA-N 0 1 280.265 0.992 20 5 CCBDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC001589307695 953757026 /nfs/dbraw/zinc/75/70/26/953757026.db2.gz CEWUGPQMNSICHI-RKDXNWHRSA-N 0 1 268.273 0.934 20 5 CCBDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC001589307695 953757034 /nfs/dbraw/zinc/75/70/34/953757034.db2.gz CEWUGPQMNSICHI-RKDXNWHRSA-N 0 1 268.273 0.934 20 5 CCBDMN Cn1cc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c([N+](=O)[O-])n1 ZINC001594542876 955667709 /nfs/dbraw/zinc/66/77/09/955667709.db2.gz NXHVINQUIAOKNU-WDEREUQCSA-N 0 1 294.311 0.871 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C(=O)[O-] ZINC001599865468 989245091 /nfs/dbraw/zinc/24/50/91/989245091.db2.gz AVCBCTJTFCHHJA-MWLCHTKSSA-N 0 1 295.295 0.409 20 5 CCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1CCC1 ZINC000337614145 214181647 /nfs/dbraw/zinc/18/16/47/214181647.db2.gz KJWNZGSMKDTYHI-UHFFFAOYSA-N 0 1 267.289 0.003 20 5 CCBDMN CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600253639 361903214 /nfs/dbraw/zinc/90/32/14/361903214.db2.gz DLJPDZRTHPCQPV-UPONEAKYSA-N 0 1 266.257 0.615 20 5 CCBDMN O=C(NCCCO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000097177724 349632286 /nfs/dbraw/zinc/63/22/86/349632286.db2.gz CWLLYEADVDGZPV-UHFFFAOYSA-N 0 1 264.241 0.583 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000600535447 362004438 /nfs/dbraw/zinc/00/44/38/362004438.db2.gz ZZBRWPYTPFYMJQ-SNVBAGLBSA-N 0 1 295.295 0.097 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000600536492 362006966 /nfs/dbraw/zinc/00/69/66/362006966.db2.gz WCXZYDGLOPAJBR-SNVBAGLBSA-N 0 1 295.295 0.097 20 5 CCBDMN O=C(N[C@H]1CCN(C2CCC2)C1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600815503 362067782 /nfs/dbraw/zinc/06/77/82/362067782.db2.gz VMOBNHKAADVMME-QMMMGPOBSA-N 0 1 293.283 0.201 20 5 CCBDMN C[C@@H](Cn1cccn1)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602507762 362650159 /nfs/dbraw/zinc/65/01/59/362650159.db2.gz HXWWGQMEVRKVJM-VIFPVBQESA-N 0 1 264.289 0.703 20 5 CCBDMN Cn1cc(CN2CCC[C@H](CCO)C2)c([N+](=O)[O-])n1 ZINC000602465346 362631038 /nfs/dbraw/zinc/63/10/38/362631038.db2.gz PSUHWWWAHVKSJB-SNVBAGLBSA-N 0 1 268.317 0.923 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCNC[C@@H]1C(C)C ZINC000602526990 362658990 /nfs/dbraw/zinc/65/89/90/362658990.db2.gz HHGVKRDYKSSAQQ-LLVKDONJSA-N 0 1 295.343 0.556 20 5 CCBDMN CC[C@@H]1CN(C)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602831574 362825278 /nfs/dbraw/zinc/82/52/78/362825278.db2.gz JKLPNGYXAUVZEK-LLVKDONJSA-N 0 1 267.333 0.854 20 5 CCBDMN O=C(C[C@H]1COCCN1)NCCc1ccccc1[N+](=O)[O-] ZINC000262504470 137045385 /nfs/dbraw/zinc/04/53/85/137045385.db2.gz IYTLMWNVIXIFRM-LBPRGKRZSA-N 0 1 293.323 0.632 20 5 CCBDMN CCN1C[C@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000344421119 137193592 /nfs/dbraw/zinc/19/35/92/137193592.db2.gz KTDKOEDDSVVPTH-UWVGGRQHSA-N 0 1 296.331 0.127 20 5 CCBDMN CC(C)C[C@@H](N)c1noc(Cn2cnc([N+](=O)[O-])n2)n1 ZINC000339386699 215137190 /nfs/dbraw/zinc/13/71/90/215137190.db2.gz YCHBGXCHXTVERN-SSDOTTSWSA-N 0 1 281.276 0.664 20 5 CCBDMN COc1ccc(C(=O)NCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000037921174 348219145 /nfs/dbraw/zinc/21/91/45/348219145.db2.gz ATBKWRLEOMRISA-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN CC(C)[C@@H](CO)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000346006501 137263836 /nfs/dbraw/zinc/26/38/36/137263836.db2.gz OHJSYDPGQLIXIH-SSDOTTSWSA-N 0 1 256.262 0.312 20 5 CCBDMN C[C@](CO)(NC[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602962047 362910916 /nfs/dbraw/zinc/91/09/16/362910916.db2.gz FKBNXRKVIRQDFM-ZIAGYGMSSA-N 0 1 296.323 0.807 20 5 CCBDMN COc1cc([N+](=O)[O-])ccc1CN1[C@@H](CO)CC[C@H]1CO ZINC000347284589 137328934 /nfs/dbraw/zinc/32/89/34/137328934.db2.gz YWLMMZICKMXRTG-BETUJISGSA-N 0 1 296.323 0.921 20 5 CCBDMN COc1ccc(CN2[C@@H](CO)CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000347291682 137329622 /nfs/dbraw/zinc/32/96/22/137329622.db2.gz BPAWCJWXWSFCTE-TXEJJXNPSA-N 0 1 296.323 0.921 20 5 CCBDMN CNC(=O)Cn1nc(Nc2ncccc2[N+](=O)[O-])cc1C ZINC000348128537 137373592 /nfs/dbraw/zinc/37/35/92/137373592.db2.gz ZSCOLXCQVBVVMT-UHFFFAOYSA-N 0 1 290.283 0.406 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c1[N+](=O)[O-] ZINC000064337109 348698193 /nfs/dbraw/zinc/69/81/93/348698193.db2.gz LFVFPPFGSUJLCH-SVRRBLITSA-N 0 1 295.299 0.352 20 5 CCBDMN CC(C)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000067290325 348771425 /nfs/dbraw/zinc/77/14/25/348771425.db2.gz LSWZVNVADQYHMC-UHFFFAOYSA-N 0 1 295.343 0.734 20 5 CCBDMN Cc1ccnc(N2CCC[N@@H+](CC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000070495617 348892016 /nfs/dbraw/zinc/89/20/16/348892016.db2.gz IJAXTUCPUIPIAK-UHFFFAOYSA-N 0 1 294.311 0.895 20 5 CCBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)N1 ZINC000070076248 348871274 /nfs/dbraw/zinc/87/12/74/348871274.db2.gz GJVBJJLRLKLXAN-HTQZYQBOSA-N 0 1 252.274 0.745 20 5 CCBDMN COCCn1cc(Nc2ncc([N+](=O)[O-])c(N)n2)cn1 ZINC000076268614 349076848 /nfs/dbraw/zinc/07/68/48/349076848.db2.gz XXQRLJVVYAOHKB-UHFFFAOYSA-N 0 1 279.260 0.554 20 5 CCBDMN CO[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000076480747 349084814 /nfs/dbraw/zinc/08/48/14/349084814.db2.gz QQVWHJAIRAJCBQ-QMMMGPOBSA-N 0 1 268.273 0.877 20 5 CCBDMN C[C@H]1C[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000271285793 191049827 /nfs/dbraw/zinc/04/98/27/191049827.db2.gz DDLJXEGQFDBWNH-YUMQZZPRSA-N 0 1 268.273 0.863 20 5 CCBDMN COC[C@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000159583919 350681914 /nfs/dbraw/zinc/68/19/14/350681914.db2.gz NTADLSVJRLWFHN-VIFPVBQESA-N 0 1 253.258 0.815 20 5 CCBDMN COc1ncccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159756218 350686995 /nfs/dbraw/zinc/68/69/95/350686995.db2.gz ZMAIZTDHKGCOJW-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN C[C@H](O)[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000168442619 350826837 /nfs/dbraw/zinc/82/68/37/350826837.db2.gz BCUOAZOZOZOKSW-GXSJLCMTSA-N 0 1 293.323 0.896 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCN(C3CC3)CC2)c1 ZINC000174834763 351106752 /nfs/dbraw/zinc/10/67/52/351106752.db2.gz PGMJOUDQQKMEJL-UHFFFAOYSA-N 0 1 265.317 0.571 20 5 CCBDMN C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CO ZINC000189724724 351698566 /nfs/dbraw/zinc/69/85/66/351698566.db2.gz XWQDSPAOKRALNN-TVQRCGJNSA-N 0 1 293.323 0.896 20 5 CCBDMN O=C(NCC(F)(F)C(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000192028584 351781853 /nfs/dbraw/zinc/78/18/53/351781853.db2.gz QFRMUWVAKHGOOU-UHFFFAOYSA-N 0 1 270.142 0.948 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC(=O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000193928521 351848875 /nfs/dbraw/zinc/84/88/75/351848875.db2.gz UPQBDILUWGBXLZ-ZETCQYMHSA-N 0 1 280.284 0.931 20 5 CCBDMN Cn1c(C(=O)N[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000604199952 363183393 /nfs/dbraw/zinc/18/33/93/363183393.db2.gz YBRAMOVAMNNLKG-VIFPVBQESA-N 0 1 266.301 0.757 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000604267982 363184744 /nfs/dbraw/zinc/18/47/44/363184744.db2.gz OOWSCXIDWHDLOL-VIFPVBQESA-N 0 1 266.301 0.757 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C)C1 ZINC000604267982 363184751 /nfs/dbraw/zinc/18/47/51/363184751.db2.gz OOWSCXIDWHDLOL-VIFPVBQESA-N 0 1 266.301 0.757 20 5 CCBDMN O=[N+]([O-])c1ccc(OCCN2C[C@H](O)C[C@H]2CO)cc1 ZINC000248387256 352437802 /nfs/dbraw/zinc/43/78/02/352437802.db2.gz ARXXJKJDTBXYHJ-NWDGAFQWSA-N 0 1 282.296 0.401 20 5 CCBDMN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1O ZINC000249147472 352480074 /nfs/dbraw/zinc/48/00/74/352480074.db2.gz UTZRKHDFCXQHRG-NOZJJQNGSA-N 0 1 293.323 0.896 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CCCCC2)n1 ZINC000270736363 352976242 /nfs/dbraw/zinc/97/62/42/352976242.db2.gz DTBDRHFGOLOOLV-UHFFFAOYSA-N 0 1 281.316 0.544 20 5 CCBDMN C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1nnc[nH]1 ZINC000271138857 353025709 /nfs/dbraw/zinc/02/57/09/353025709.db2.gz BKIOVZFRQFERIQ-SCSAIBSYSA-N 0 1 250.222 0.258 20 5 CCBDMN NC(=O)N[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272714740 353087788 /nfs/dbraw/zinc/08/77/88/353087788.db2.gz YNTYZXXVNGUPGM-QMMMGPOBSA-N 0 1 294.267 0.183 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CC(=O)N2CCCC2)c1[N+](=O)[O-] ZINC000604546460 363203128 /nfs/dbraw/zinc/20/31/28/363203128.db2.gz QNFZOPBBMVPUNN-UHFFFAOYSA-N 0 1 295.299 0.321 20 5 CCBDMN CO[C@H]1COC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000292475584 198301996 /nfs/dbraw/zinc/30/19/96/198301996.db2.gz HVXLBLZEVOHTOE-QWRGUYRKSA-N 0 1 282.252 0.444 20 5 CCBDMN CN(C)C1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000158419575 188375536 /nfs/dbraw/zinc/37/55/36/188375536.db2.gz MYPFOJYFLQWLQF-UHFFFAOYSA-N 0 1 279.296 0.746 20 5 CCBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCC(N)=O ZINC000286569771 353596383 /nfs/dbraw/zinc/59/63/83/353596383.db2.gz ULKCOUGTCCPTIR-VIFPVBQESA-N 0 1 294.311 0.729 20 5 CCBDMN Cc1nc([C@H](C)Nc2c([N+](=O)[O-])ncn2C)n[nH]1 ZINC000286269584 353573454 /nfs/dbraw/zinc/57/34/54/353573454.db2.gz FNLNBHIXNVBDLS-YFKPBYRVSA-N 0 1 251.250 0.928 20 5 CCBDMN O=C(N[C@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])o1 ZINC000296541042 353951300 /nfs/dbraw/zinc/95/13/00/353951300.db2.gz XTCPDLKLDWAITH-JTQLQIEISA-N 0 1 297.311 0.764 20 5 CCBDMN COC(=O)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000299540868 354025248 /nfs/dbraw/zinc/02/52/48/354025248.db2.gz OMDMKQFCARNDTF-SSDOTTSWSA-N 0 1 282.256 0.261 20 5 CCBDMN O=C(NC[C@H]1CCC[C@@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000305706947 354152217 /nfs/dbraw/zinc/15/22/17/354152217.db2.gz FBUNDSQSJGDNFM-JGVFFNPUSA-N 0 1 268.273 0.599 20 5 CCBDMN O=C(NCCc1ccc(CO)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000305790244 354162184 /nfs/dbraw/zinc/16/21/84/354162184.db2.gz TXAPBTIEQSTLIA-UHFFFAOYSA-N 0 1 290.279 0.783 20 5 CCBDMN O=[N+]([O-])c1ccc(NCCN2CCC(O)CC2)nc1 ZINC000322289530 354229046 /nfs/dbraw/zinc/22/90/46/354229046.db2.gz BUQBEIRMLPDKDF-UHFFFAOYSA-N 0 1 266.301 0.858 20 5 CCBDMN C[C@H](O)CN1CCN(Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000330397350 354343692 /nfs/dbraw/zinc/34/36/92/354343692.db2.gz HBBGUHPMKPOCKQ-MNOVXSKESA-N 0 1 297.359 0.215 20 5 CCBDMN COCCN1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000331077398 354441447 /nfs/dbraw/zinc/44/14/47/354441447.db2.gz WEKKKLOWKOSLGP-LLVKDONJSA-N 0 1 297.359 0.481 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](CCO)C2)c1[N+](=O)[O-] ZINC000332681929 354719437 /nfs/dbraw/zinc/71/94/37/354719437.db2.gz TVPXPYGOLVCWHK-QMMMGPOBSA-N 0 1 268.273 0.471 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C[C@H](C)C(=O)OC)c1[N+](=O)[O-] ZINC000171803827 188760205 /nfs/dbraw/zinc/76/02/05/188760205.db2.gz DQTHOQWAMQDAHZ-ZETCQYMHSA-N 0 1 298.299 0.761 20 5 CCBDMN CCOC(=O)CN(C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000171805786 188760426 /nfs/dbraw/zinc/76/04/26/188760426.db2.gz FDMIZXRZXNWHDL-UHFFFAOYSA-N 0 1 284.272 0.515 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CN(C)CCN1C ZINC000336847363 355215988 /nfs/dbraw/zinc/21/59/88/355215988.db2.gz DSFWCQKHBLTPHO-LLVKDONJSA-N 0 1 296.375 0.777 20 5 CCBDMN Cc1nc(N2CC[C@H](c3nc[nH]n3)C2)ncc1[N+](=O)[O-] ZINC000425282277 235280502 /nfs/dbraw/zinc/28/05/02/235280502.db2.gz KHMVVOCCCZBWDI-QMMMGPOBSA-N 0 1 275.272 0.805 20 5 CCBDMN NC(=O)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000427921194 235386373 /nfs/dbraw/zinc/38/63/73/235386373.db2.gz DRLAUYYIKLHRTH-UHFFFAOYSA-N 0 1 293.279 0.638 20 5 CCBDMN O=C(NC1(c2nn[nH]n2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000348273336 355900070 /nfs/dbraw/zinc/90/00/70/355900070.db2.gz GCUKEPXMVDZOFQ-UHFFFAOYSA-N 0 1 280.269 0.589 20 5 CCBDMN CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])nn2C)n[nH]1 ZINC000360728025 138008248 /nfs/dbraw/zinc/00/82/48/138008248.db2.gz XYPVZGHLOWVGTK-ZCFIWIBFSA-N 0 1 293.287 0.500 20 5 CCBDMN CN(CCc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@@H]1O ZINC000361378103 138033028 /nfs/dbraw/zinc/03/30/28/138033028.db2.gz QIOJULHMKFGUSL-OLZOCXBDSA-N 0 1 266.297 0.829 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(C3CCC3)n2)n1 ZINC000273618604 192232746 /nfs/dbraw/zinc/23/27/46/192232746.db2.gz LURJTLBQSPHOTL-UHFFFAOYSA-N 0 1 291.271 0.966 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000363142437 138086019 /nfs/dbraw/zinc/08/60/19/138086019.db2.gz MDEWRYNUDACFOA-FXPVBKGRSA-N 0 1 264.285 0.781 20 5 CCBDMN CC[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN1C[C@@H](C)O ZINC000609257393 363480854 /nfs/dbraw/zinc/48/08/54/363480854.db2.gz MMUFTARXNHLNBR-GHMZBOCLSA-N 0 1 297.359 0.610 20 5 CCBDMN Cc1cc(CNC(=O)CCn2cc([N+](=O)[O-])nc2C)n[nH]1 ZINC000609594645 363508018 /nfs/dbraw/zinc/50/80/18/363508018.db2.gz AENSTFPJPRJWHZ-UHFFFAOYSA-N 0 1 292.299 0.838 20 5 CCBDMN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)[C@H](C)C1 ZINC000359635256 356862271 /nfs/dbraw/zinc/86/22/71/356862271.db2.gz NRJSSFMGYJGKHQ-MNOVXSKESA-N 0 1 280.328 0.881 20 5 CCBDMN O=C(Nc1cccc2c1OCC(=O)N2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000378021928 357640865 /nfs/dbraw/zinc/64/08/65/357640865.db2.gz ALORAJNLMPJYPO-HZGVNTEJSA-N 0 1 277.236 0.621 20 5 CCBDMN C[C@H]1CCC[C@@]1(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000294396671 199025171 /nfs/dbraw/zinc/02/51/71/199025171.db2.gz SUPXCCQZICKKCR-WRWORJQWSA-N 0 1 268.273 0.599 20 5 CCBDMN O=C(NCc1cnc[nH]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610657526 363591928 /nfs/dbraw/zinc/59/19/28/363591928.db2.gz ZWMPJHPSMGPEEN-UHFFFAOYSA-N 0 1 290.235 0.977 20 5 CCBDMN Cc1ncc2c(n1)CCN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000531143244 358444805 /nfs/dbraw/zinc/44/48/05/358444805.db2.gz GFGYXSIKGRHRPP-UHFFFAOYSA-N 0 1 288.311 0.948 20 5 CCBDMN O=C1NCC[C@]12CCCN2CCn1ccc([N+](=O)[O-])n1 ZINC000573335836 358958548 /nfs/dbraw/zinc/95/85/48/358958548.db2.gz BQUHKJOROAEMFB-GFCCVEGCSA-N 0 1 279.300 0.146 20 5 CCBDMN C[C@@H]1COCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000610990624 363642104 /nfs/dbraw/zinc/64/21/04/363642104.db2.gz DFAYIXDJVGTBAE-SNVBAGLBSA-N 0 1 254.290 0.902 20 5 CCBDMN CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000611087923 363658009 /nfs/dbraw/zinc/65/80/09/363658009.db2.gz SATGWNUUOKVFET-JTQLQIEISA-N 0 1 295.343 0.652 20 5 CCBDMN CC[C@H](C)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000296894717 200027805 /nfs/dbraw/zinc/02/78/05/200027805.db2.gz JXKHDGJSNPOGMY-NSHDSACASA-N 0 1 295.343 0.734 20 5 CCBDMN [NH3+]CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(F)F ZINC000592340340 359821610 /nfs/dbraw/zinc/82/16/10/359821610.db2.gz ZNEHUUMDWBXCLV-SSDOTTSWSA-N 0 1 290.226 0.408 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000592239520 359804128 /nfs/dbraw/zinc/80/41/28/359804128.db2.gz OGKAZGNDKNIPAV-CYBMUJFWSA-N 0 1 292.295 0.521 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592247881 359805397 /nfs/dbraw/zinc/80/53/97/359805397.db2.gz PSNKCUXEKNVJAE-KWQFWETISA-N 0 1 292.295 0.519 20 5 CCBDMN O=C(N[C@@H](CO)CC1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000611296026 363703300 /nfs/dbraw/zinc/70/33/00/363703300.db2.gz MRJDLEKUZCHQQE-SSDOTTSWSA-N 0 1 254.246 0.209 20 5 CCBDMN CC[C@@H](C)C[C@@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592873185 359966916 /nfs/dbraw/zinc/96/69/16/359966916.db2.gz MZDIAMUYJUTNSU-SFYZADRCSA-N 0 1 270.289 0.845 20 5 CCBDMN N[C@@H](c1cn(-c2ccc([N+](=O)[O-])cn2)nn1)[C@@H]1CCCO1 ZINC000594649873 360348575 /nfs/dbraw/zinc/34/85/75/360348575.db2.gz PPHUUYFDXMPPMB-JQWIXIFHSA-N 0 1 290.283 0.749 20 5 CCBDMN C[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)(C)O ZINC000594760967 360377855 /nfs/dbraw/zinc/37/78/55/360377855.db2.gz AMYGLTIKKVEDEK-SSDOTTSWSA-N 0 1 289.313 0.428 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H](O)C1CC1 ZINC000594761717 360377880 /nfs/dbraw/zinc/37/78/80/360377880.db2.gz IIJFTZHEIVSHKJ-VIFPVBQESA-N 0 1 287.297 0.039 20 5 CCBDMN CC[C@](C)(O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594763076 360378277 /nfs/dbraw/zinc/37/82/77/360378277.db2.gz UZUTVQWUXASMIS-JTQLQIEISA-N 0 1 289.313 0.429 20 5 CCBDMN CC[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])[C@@H](C)O ZINC000594779565 360381692 /nfs/dbraw/zinc/38/16/92/360381692.db2.gz VFSBBTVNPDTZDK-SFYZADRCSA-N 0 1 289.313 0.428 20 5 CCBDMN C[C@@]1(O)C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594783216 360383147 /nfs/dbraw/zinc/38/31/47/360383147.db2.gz JXUMWLRFJACDJM-WKFQBHICSA-N 0 1 287.297 0.182 20 5 CCBDMN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1F ZINC000611502294 363726816 /nfs/dbraw/zinc/72/68/16/363726816.db2.gz RALYISWUEKHMOA-ADEWGFFLSA-N 0 1 286.307 0.832 20 5 CCBDMN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cscn1 ZINC000595667595 360613339 /nfs/dbraw/zinc/61/33/39/360613339.db2.gz HOFFAMVQPJLTLH-PSASIEDQSA-N 0 1 297.340 0.960 20 5 CCBDMN CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000595882086 360689432 /nfs/dbraw/zinc/68/94/32/360689432.db2.gz FZFDTWRXVAGPOL-MRVPVSSYSA-N 0 1 295.295 0.989 20 5 CCBDMN CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)C(=O)[O-] ZINC000595882127 360689810 /nfs/dbraw/zinc/68/98/10/360689810.db2.gz GQWVCYGHAPCCFJ-MRVPVSSYSA-N 0 1 256.262 0.586 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC(CO)(CO)C1 ZINC000595808057 360662244 /nfs/dbraw/zinc/66/22/44/360662244.db2.gz RUHMBOWDGHZFDE-UHFFFAOYSA-N 0 1 282.296 0.477 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000595808057 360662246 /nfs/dbraw/zinc/66/22/46/360662246.db2.gz RUHMBOWDGHZFDE-UHFFFAOYSA-N 0 1 282.296 0.477 20 5 CCBDMN C[C@H]1OCC[C@]1(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345528800 291237286 /nfs/dbraw/zinc/23/72/86/291237286.db2.gz BGUVDOYMJDUBPA-LDWIPMOCSA-N 0 1 254.246 0.615 20 5 CCBDMN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccn1C ZINC000596069117 360787186 /nfs/dbraw/zinc/78/71/86/360787186.db2.gz KFWKRECPOPSMIU-GXSJLCMTSA-N 0 1 294.315 0.237 20 5 CCBDMN CC[C@H](CO)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596139457 360809125 /nfs/dbraw/zinc/80/91/25/360809125.db2.gz AWRHEUWCECYFAX-SNVBAGLBSA-N 0 1 296.327 0.588 20 5 CCBDMN CC1(C)CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCN1CCO ZINC000596221119 360840289 /nfs/dbraw/zinc/84/02/89/360840289.db2.gz IFTUWSAMPQPONI-UHFFFAOYSA-N 0 1 296.327 0.588 20 5 CCBDMN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000179208039 189177425 /nfs/dbraw/zinc/17/74/25/189177425.db2.gz MESJVMGRZDNABH-LLVKDONJSA-N 0 1 281.312 0.867 20 5 CCBDMN CN1CC2(C1)CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])C2 ZINC000597571892 361142971 /nfs/dbraw/zinc/14/29/71/361142971.db2.gz KALGXRUETYTZNV-UHFFFAOYSA-N 0 1 279.300 0.106 20 5 CCBDMN COC1CC(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000597862607 361272067 /nfs/dbraw/zinc/27/20/67/361272067.db2.gz WGCIUHMRPHWDBV-UHFFFAOYSA-N 0 1 268.273 0.863 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC1CN(C)C1 ZINC000598164698 361346880 /nfs/dbraw/zinc/34/68/80/361346880.db2.gz UYEIFAJJYBBEQJ-UHFFFAOYSA-N 0 1 281.316 0.120 20 5 CCBDMN Cc1cc(CNC(=O)Nc2ccncc2[N+](=O)[O-])n[nH]1 ZINC000611598374 363749903 /nfs/dbraw/zinc/74/99/03/363749903.db2.gz CTKMVZGWASKVBW-UHFFFAOYSA-N 0 1 276.256 0.765 20 5 CCBDMN CC1=CCN(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000564305466 291273185 /nfs/dbraw/zinc/27/31/85/291273185.db2.gz XVCRSAAXBITGND-UHFFFAOYSA-N 0 1 279.300 0.700 20 5 CCBDMN COC(=O)c1ccnc(NCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000598602415 361456984 /nfs/dbraw/zinc/45/69/84/361456984.db2.gz AMYSSVPPGWVUPW-UHFFFAOYSA-N 0 1 292.255 0.549 20 5 CCBDMN O=[N+]([O-])c1cccnc1NCCN1CC[C@H](O)C1 ZINC000599202296 361610094 /nfs/dbraw/zinc/61/00/94/361610094.db2.gz OTHJJZFZZVJLEM-VIFPVBQESA-N 0 1 252.274 0.468 20 5 CCBDMN C[C@@H]1CN(C)CCN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000615494127 364979696 /nfs/dbraw/zinc/97/96/96/364979696.db2.gz AKWVJWAVVVIAPY-SECBINFHSA-N 0 1 278.312 0.834 20 5 CCBDMN CCC(=O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000275485739 193055808 /nfs/dbraw/zinc/05/58/08/193055808.db2.gz YARAQGJSFBMZJH-UHFFFAOYSA-N 0 1 290.272 0.991 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCS(=O)CC1 ZINC000330784124 203231987 /nfs/dbraw/zinc/23/19/87/203231987.db2.gz RHTZWNYKDJQRFF-UHFFFAOYSA-N 0 1 284.293 0.505 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCN(CC)CC2)n1 ZINC000331696378 204083805 /nfs/dbraw/zinc/08/38/05/204083805.db2.gz YKYKEDMEHYPIKX-UHFFFAOYSA-N 0 1 295.343 0.979 20 5 CCBDMN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000567861181 291526323 /nfs/dbraw/zinc/52/63/23/291526323.db2.gz OYLRETAYLMLBHF-MRVPVSSYSA-N 0 1 288.329 0.396 20 5 CCBDMN COC(=O)CCS(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264502890 190114769 /nfs/dbraw/zinc/11/47/69/190114769.db2.gz VYGUMPBMFWORSQ-UHFFFAOYSA-N 0 1 288.281 0.900 20 5 CCBDMN C[C@@H](O)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000265510626 190187246 /nfs/dbraw/zinc/18/72/46/190187246.db2.gz RPGURZRSWXOIDC-SSDOTTSWSA-N 0 1 278.268 0.972 20 5 CCBDMN [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000574754705 335044821 /nfs/dbraw/zinc/04/48/21/335044821.db2.gz KHSXBSKTOIQYRO-SFYZADRCSA-N 0 1 280.284 0.553 20 5 CCBDMN O=C(N[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000571880305 291843096 /nfs/dbraw/zinc/84/30/96/291843096.db2.gz FZBGQLULIKMJJH-ZETCQYMHSA-N 0 1 266.257 0.177 20 5 CCBDMN COC[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423833840 533046394 /nfs/dbraw/zinc/04/63/94/533046394.db2.gz BVYCATGQLXSUMM-JTQLQIEISA-N 0 1 287.703 0.838 20 5 CCBDMN C[C@@H]1COCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000286699933 196682153 /nfs/dbraw/zinc/68/21/53/196682153.db2.gz DCLQRENNWUCRJE-HTQZYQBOSA-N 0 1 268.273 0.720 20 5 CCBDMN CN(CC(=O)N1CCNCC1)Cc1ccccc1[N+](=O)[O-] ZINC000038030962 388850398 /nfs/dbraw/zinc/85/03/98/388850398.db2.gz VUSREYJXBDZTHV-UHFFFAOYSA-N 0 1 292.339 0.458 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](O)C[C@H]1CO ZINC000187665585 388890946 /nfs/dbraw/zinc/89/09/46/388890946.db2.gz PUSPIEKCVLGYRG-STQMWFEESA-N 0 1 266.297 0.831 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CC[C@@H](n3cccn3)C2)c1 ZINC000291820903 388938799 /nfs/dbraw/zinc/93/87/99/388938799.db2.gz NVYLZOQZXQZPOM-LLVKDONJSA-N 0 1 276.300 0.935 20 5 CCBDMN CCO[C@H]1COCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000354339003 389020945 /nfs/dbraw/zinc/02/09/45/389020945.db2.gz JRWWRRPJEFMXLH-CBAPKCEASA-N 0 1 284.272 0.242 20 5 CCBDMN C[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000194721108 389102409 /nfs/dbraw/zinc/10/24/09/389102409.db2.gz ALLLSOBTFPVBSM-QMMMGPOBSA-N 0 1 280.284 0.519 20 5 CCBDMN C[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000194721108 389102410 /nfs/dbraw/zinc/10/24/10/389102410.db2.gz ALLLSOBTFPVBSM-QMMMGPOBSA-N 0 1 280.284 0.519 20 5 CCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCCN(C)CC1 ZINC000356140158 389120764 /nfs/dbraw/zinc/12/07/64/389120764.db2.gz GOZCQIMXJLCJBQ-UHFFFAOYSA-N 0 1 267.289 0.106 20 5 CCBDMN CC(C)[N@@H+](C)CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000129929180 389195082 /nfs/dbraw/zinc/19/50/82/389195082.db2.gz IIBDKRHLRMKATC-UHFFFAOYSA-N 0 1 269.305 0.248 20 5 CCBDMN C[C@H](CO)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000268929117 389395915 /nfs/dbraw/zinc/39/59/15/389395915.db2.gz XPHOCCVWYPQWLI-ZETCQYMHSA-N 0 1 278.268 0.829 20 5 CCBDMN O=C(NCCN1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269110027 389402467 /nfs/dbraw/zinc/40/24/67/389402467.db2.gz CUSRMYQFLCHPNZ-UHFFFAOYSA-N 0 1 295.295 0.362 20 5 CCBDMN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CNCCO1 ZINC000269257985 389411018 /nfs/dbraw/zinc/41/10/18/389411018.db2.gz XFHYWSOJTQKCFS-LLVKDONJSA-N 0 1 299.714 0.853 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](O)C1 ZINC000269282887 389413408 /nfs/dbraw/zinc/41/34/08/389413408.db2.gz MBEKRTGHHFRVBY-JTQLQIEISA-N 0 1 266.253 0.897 20 5 CCBDMN CC1(C)[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000163863855 389431371 /nfs/dbraw/zinc/43/13/71/389431371.db2.gz VSRHTLUNFGRLRB-QUNWWBBNSA-N 0 1 280.284 0.861 20 5 CCBDMN Cn1ncc2c1CCCN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000411851054 389453063 /nfs/dbraw/zinc/45/30/63/389453063.db2.gz XCPDKAMQXXDZJY-UHFFFAOYSA-N 0 1 290.327 0.973 20 5 CCBDMN C[C@@H](CN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1)c1nn[nH]n1 ZINC000274812227 389506389 /nfs/dbraw/zinc/50/63/89/389506389.db2.gz VWNAEOXROCSOOT-LURJTMIESA-N 0 1 279.260 0.312 20 5 CCBDMN C[C@H]1CN(CC(C)(C)O)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000275835771 389513850 /nfs/dbraw/zinc/51/38/50/389513850.db2.gz OYVDOEDZOWQBQV-JTQLQIEISA-N 0 1 295.343 0.666 20 5 CCBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](O)CO)c1 ZINC000276729052 389534964 /nfs/dbraw/zinc/53/49/64/389534964.db2.gz IUJMZJVFLWQCLG-SECBINFHSA-N 0 1 292.238 0.639 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CCCCCO)c1[N+](=O)[O-] ZINC000279500356 389581972 /nfs/dbraw/zinc/58/19/72/389581972.db2.gz JOUIZMCBGBOSHE-UHFFFAOYSA-N 0 1 270.289 0.861 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOC[C@]23CCOC3)c1[N+](=O)[O-] ZINC000282050211 389651377 /nfs/dbraw/zinc/65/13/77/389651377.db2.gz CCZMFJXKCCWTLA-GFCCVEGCSA-N 0 1 296.283 0.258 20 5 CCBDMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000375239325 389652698 /nfs/dbraw/zinc/65/26/98/389652698.db2.gz FQPYGVSDSNBVID-GMTAPVOTSA-N 0 1 287.279 0.676 20 5 CCBDMN O=C(N[C@@H](c1nc[nH]n1)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000375239325 389652701 /nfs/dbraw/zinc/65/27/01/389652701.db2.gz FQPYGVSDSNBVID-GMTAPVOTSA-N 0 1 287.279 0.676 20 5 CCBDMN COC(=O)[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000375336229 389667894 /nfs/dbraw/zinc/66/78/94/389667894.db2.gz MVYZIUVCRCGNHZ-ZHSDAYTOSA-N 0 1 296.323 0.843 20 5 CCBDMN CNC(=O)[C@@]1(C)CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000430250083 389788736 /nfs/dbraw/zinc/78/87/36/389788736.db2.gz RWTCTMNKTCXXSN-LBPRGKRZSA-N 0 1 281.316 0.286 20 5 CCBDMN CN(CCNC(=O)OC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000495978756 390277360 /nfs/dbraw/zinc/27/73/60/390277360.db2.gz DEDQXPOCPUOESN-RKDXNWHRSA-N 0 1 287.316 0.635 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCO[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000547928094 390408432 /nfs/dbraw/zinc/40/84/32/390408432.db2.gz CECUIYKJFCFHDD-SECBINFHSA-N 0 1 280.284 0.877 20 5 CCBDMN Cc1cc(C[C@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000269043999 132103308 /nfs/dbraw/zinc/10/33/08/132103308.db2.gz LLFVBIAIAOJKAP-QMMMGPOBSA-N 0 1 292.299 0.570 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000356596247 144017637 /nfs/dbraw/zinc/01/76/37/144017637.db2.gz NDHFWBAKYZAZHP-SQFXPLBJSA-N 0 1 298.320 0.893 20 5 CCBDMN CCNC(=O)C1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356634691 144021302 /nfs/dbraw/zinc/02/13/02/144021302.db2.gz NAUMDEQNUXWOQE-UHFFFAOYSA-N 0 1 293.279 0.509 20 5 CCBDMN Cc1ccnc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000357362947 144085084 /nfs/dbraw/zinc/08/50/84/144085084.db2.gz JREJHERRLAVLSN-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@](CO)(c2ccccc2)C1 ZINC000368288497 144215921 /nfs/dbraw/zinc/21/59/21/144215921.db2.gz OSISJRZFWJGVGG-UMVBOHGHSA-N 0 1 290.319 0.814 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2C[C@@H](O)C3(CC3)C2)c1 ZINC000368787325 144244131 /nfs/dbraw/zinc/24/41/31/144244131.db2.gz VDJHBERYWRMUMM-SNVBAGLBSA-N 0 1 252.274 0.248 20 5 CCBDMN Nc1nccc(C(=O)Nc2ccc3[nH]nnc3c2)c1[N+](=O)[O-] ZINC000548386079 286031770 /nfs/dbraw/zinc/03/17/70/286031770.db2.gz ZDMYFDGHLIRLTK-UHFFFAOYSA-N 0 1 299.250 0.926 20 5 CCBDMN C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN1CC(C)(C)O ZINC000548692993 286058492 /nfs/dbraw/zinc/05/84/92/286058492.db2.gz JCWROWCUHISPNN-JTQLQIEISA-N 0 1 297.359 0.610 20 5 CCBDMN CN1CCN(CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000037497041 173235443 /nfs/dbraw/zinc/23/54/43/173235443.db2.gz QYXXQNQCLBYNKO-UHFFFAOYSA-N 0 1 265.317 0.649 20 5 CCBDMN C[C@@H]1COCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000432569198 288360479 /nfs/dbraw/zinc/36/04/79/288360479.db2.gz OPRREGMFPGDBIX-RQJHMYQMSA-N 0 1 254.246 0.473 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCNC[C@H]2C)n1 ZINC000582904031 329283861 /nfs/dbraw/zinc/28/38/61/329283861.db2.gz UMCNCQCRYXWKMV-MRVPVSSYSA-N 0 1 267.289 0.245 20 5 CCBDMN C[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000582963248 329290762 /nfs/dbraw/zinc/29/07/62/329290762.db2.gz NESQICYLWHIFNT-UHFFFAOYSA-N 0 1 280.284 0.519 20 5 CCBDMN CN1CCN(C)[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000068806117 523890468 /nfs/dbraw/zinc/89/04/68/523890468.db2.gz SXQAEHKUGZTITQ-LLVKDONJSA-N 0 1 265.317 0.648 20 5 CCBDMN O=C1OC[C@@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CCN12 ZINC000495596008 534817307 /nfs/dbraw/zinc/81/73/07/534817307.db2.gz QGDIBUIOUATHLN-JTQLQIEISA-N 0 1 293.279 0.937 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C(C)C)CC1 ZINC000068181730 527085953 /nfs/dbraw/zinc/08/59/53/527085953.db2.gz BQLQJFFNGDKTTL-UHFFFAOYSA-N 0 1 295.343 0.652 20 5 CCBDMN CCCN(CC(=O)NC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427924809 527889551 /nfs/dbraw/zinc/88/95/51/527889551.db2.gz KYNRUPUTHXISCE-UHFFFAOYSA-N 0 1 295.295 0.899 20 5 CCBDMN CC1(C)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCN1 ZINC000423704314 529110993 /nfs/dbraw/zinc/11/09/93/529110993.db2.gz DVXQUSGWSFJNIM-UHFFFAOYSA-N 0 1 253.262 0.142 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2[C@H](C1)OCCN2C ZINC000357624124 535970097 /nfs/dbraw/zinc/97/00/97/535970097.db2.gz IBSAHULWDFFWHS-MNOVXSKESA-N 0 1 295.343 0.639 20 5 CCBDMN CCO[C@H]1C[C@@H](O)C12CCN(CC[N+](=O)[O-])CC2 ZINC000791051330 581205964 /nfs/dbraw/zinc/20/59/64/581205964.db2.gz AUYSVYHHVZMXBQ-MNOVXSKESA-N 0 1 258.318 0.515 20 5 CCBDMN C[C@@H](C[N@H+](Cn1nccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736580517 581797463 /nfs/dbraw/zinc/79/74/63/581797463.db2.gz CLPYDPUDSKXMGN-QMMMGPOBSA-N 0 1 268.273 0.934 20 5 CCBDMN C[C@@H](C[N@@H+](Cn1nccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736580517 581797465 /nfs/dbraw/zinc/79/74/65/581797465.db2.gz CLPYDPUDSKXMGN-QMMMGPOBSA-N 0 1 268.273 0.934 20 5 CCBDMN C[C@H](C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)C(=O)[O-] ZINC000827443093 601376533 /nfs/dbraw/zinc/37/65/33/601376533.db2.gz ZCQLFVSPMJFPCU-MRVPVSSYSA-N 0 1 256.262 0.444 20 5 CCBDMN C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(=O)[O-] ZINC000828450032 601516103 /nfs/dbraw/zinc/51/61/03/601516103.db2.gz MXEKTQWOWCMYDC-WCBMZHEXSA-N 0 1 268.273 0.444 20 5 CCBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000833554232 604967903 /nfs/dbraw/zinc/96/79/03/604967903.db2.gz OGYMIQAIUXVKRH-CYBMUJFWSA-N 0 1 295.295 0.553 20 5 CCBDMN CC(C)(CCc1noc([C@H]2CNCCO2)n1)[N+](=O)[O-] ZINC000823234281 614086901 /nfs/dbraw/zinc/08/69/01/614086901.db2.gz HYRYBVNYJVVMCS-MRVPVSSYSA-N 0 1 270.289 0.718 20 5 CCBDMN CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2CC1 ZINC000967292971 613498197 /nfs/dbraw/zinc/49/81/97/613498197.db2.gz HBYFTSCNIIKDBR-YVECIDJPSA-N 0 1 295.339 0.369 20 5 CCBDMN CC(C)C(=O)NC[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791053592 613912829 /nfs/dbraw/zinc/91/28/29/613912829.db2.gz ULYSTABDYLDURG-NSHDSACASA-N 0 1 257.334 0.747 20 5 CCBDMN CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000963895879 614017664 /nfs/dbraw/zinc/01/76/64/614017664.db2.gz ABZRCZQASNYUOL-DDHJBXDOSA-N 0 1 283.328 0.463 20 5 CCBDMN CC(C)OC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839728711 614038315 /nfs/dbraw/zinc/03/83/15/614038315.db2.gz RLJOHNRYKMZLFD-GMTAPVOTSA-N 0 1 272.301 0.304 20 5 CCBDMN CC(=O)Nc1cccc(OCCNCC[N+](=O)[O-])c1 ZINC000905092365 614206073 /nfs/dbraw/zinc/20/60/73/614206073.db2.gz DBNANJGZQFOXHL-UHFFFAOYSA-N 0 1 267.285 0.890 20 5 CCBDMN CCCN(CC(=O)OCC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839709301 614562529 /nfs/dbraw/zinc/56/25/29/614562529.db2.gz PHKWTAMOSZSNFY-RKDXNWHRSA-N 0 1 258.274 0.453 20 5 CCBDMN CCCN1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000817460436 614778006 /nfs/dbraw/zinc/77/80/06/614778006.db2.gz WPAPLNOIRGXOSC-OPRDCNLKSA-N 0 1 269.301 0.026 20 5 CCBDMN CCN(CC(F)(F)F)C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869538978 614956248 /nfs/dbraw/zinc/95/62/48/614956248.db2.gz UDACDVXRKKGRKN-RNFRBKRXSA-N 0 1 298.217 0.606 20 5 CCBDMN CCOC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000932644048 615291883 /nfs/dbraw/zinc/29/18/83/615291883.db2.gz GMPQJIHCHYPVMW-SNVBAGLBSA-N 0 1 282.300 0.676 20 5 CCBDMN CCOCCO[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839708422 615295118 /nfs/dbraw/zinc/29/51/18/615295118.db2.gz FAXPQMBSUKBHET-HBNTYKKESA-N 0 1 272.301 0.306 20 5 CCBDMN CC[C@H](C)NC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672463 615679394 /nfs/dbraw/zinc/67/93/94/615679394.db2.gz JUDNNQICSPSSSE-RBXMUDONSA-N 0 1 258.274 0.498 20 5 CCBDMN CN(CCO)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840406699 616113690 /nfs/dbraw/zinc/11/36/90/616113690.db2.gz VKZUDKBBHCJJOB-VXGBXAGGSA-N 0 1 279.296 0.719 20 5 CCBDMN CN(CCc1cccc([N+](=O)[O-])c1)[C@H]1CCC(=O)NC1=O ZINC000801602171 616124869 /nfs/dbraw/zinc/12/48/69/616124869.db2.gz XDMVAVXNUMFHES-LBPRGKRZSA-N 0 1 291.307 0.874 20 5 CCBDMN CN1C(=O)c2ccccc2[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000863003069 616159896 /nfs/dbraw/zinc/15/98/96/616159896.db2.gz RZXCALSTEMLKBN-UTUOFQBUSA-N 0 1 289.291 0.595 20 5 CCBDMN COC(=O)[C@H]1CCCC[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842331891 616650561 /nfs/dbraw/zinc/65/05/61/616650561.db2.gz OPGLYICKCKARRW-JLIMGVALSA-N 0 1 271.269 0.927 20 5 CCBDMN COCC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839717180 616754320 /nfs/dbraw/zinc/75/43/20/616754320.db2.gz BPQZWYZNJPVHEJ-NXEZZACHSA-N 0 1 256.302 0.927 20 5 CCBDMN CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(OC)c1 ZINC000862611222 616912598 /nfs/dbraw/zinc/91/25/98/616912598.db2.gz NRENBYPFYFJVES-PSASIEDQSA-N 0 1 293.279 0.659 20 5 CCBDMN COC(=O)[C@@H](Cc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673659 616974009 /nfs/dbraw/zinc/97/40/09/616974009.db2.gz XHSKXGGHEMVIAD-IJLUTSLNSA-N 0 1 293.275 0.979 20 5 CCBDMN COC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(O)c1 ZINC000840405884 617013131 /nfs/dbraw/zinc/01/31/31/617013131.db2.gz XFWIRGXBSXFOFB-MXWKQRLJSA-N 0 1 294.263 0.388 20 5 CCBDMN O=C1NCCN1CCNCc1ccccc1[N+](=O)[O-] ZINC000050015824 624773789 /nfs/dbraw/zinc/77/37/89/624773789.db2.gz PPKILAPQODPXGI-UHFFFAOYSA-N 0 1 264.285 0.710 20 5 CCBDMN O=C(C1CCCC1)N1CC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905168283 634816357 /nfs/dbraw/zinc/81/63/57/634816357.db2.gz YCGOERCMWMRWGR-LLVKDONJSA-N 0 1 255.318 0.644 20 5 CCBDMN O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCC1 ZINC000978498360 630814217 /nfs/dbraw/zinc/81/42/17/630814217.db2.gz VNQFSXFHHFPLTR-SASUGWTJSA-N 0 1 295.339 0.463 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000928443115 631849986 /nfs/dbraw/zinc/84/99/86/631849986.db2.gz CVALWOYXWADYHV-BDAKNGLRSA-N 0 1 281.316 0.459 20 5 CCBDMN O=C1C[C@H](CNCC[N+](=O)[O-])Oc2ccccc21 ZINC000905409976 634861397 /nfs/dbraw/zinc/86/13/97/634861397.db2.gz SKQKUKTWGLQDIO-SECBINFHSA-N 0 1 250.254 0.887 20 5 CCBDMN O=C(OCCn1cccn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000919668911 638093470 /nfs/dbraw/zinc/09/34/70/638093470.db2.gz HHHRLNNZWXWYFT-UHFFFAOYSA-N 0 1 250.214 0.976 20 5 CCBDMN O=C(NC1CCN(C(=O)C2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000943277942 638713214 /nfs/dbraw/zinc/71/32/14/638713214.db2.gz WEOZXHHKYRTMIX-VXGBXAGGSA-N 0 1 295.339 0.559 20 5 CCBDMN CCC(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001809707 639342206 /nfs/dbraw/zinc/34/22/06/639342206.db2.gz FWQLBTPXJQTTNO-GHMZBOCLSA-N 0 1 297.355 0.662 20 5 CCBDMN Cc1cc([C@@](C)(O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)o1 ZINC000839688543 640350156 /nfs/dbraw/zinc/35/01/56/640350156.db2.gz DTOIYEKACXCAFZ-XWIASGKRSA-N 0 1 282.296 0.885 20 5 CCBDMN O=C(NC[C@@H]1CSCCS1)[C@@H]1CC1[N+](=O)[O-] ZINC000839702023 640351833 /nfs/dbraw/zinc/35/18/33/640351833.db2.gz XTPQTKSKHAGTGR-BWZBUEFSSA-N 0 1 262.356 0.616 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000839681285 640352986 /nfs/dbraw/zinc/35/29/86/640352986.db2.gz UTCVIFRYEOFLTF-IJLUTSLNSA-N 0 1 295.339 0.513 20 5 CCBDMN O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000839703762 640355290 /nfs/dbraw/zinc/35/52/90/640355290.db2.gz JXAISVCNCDTFDH-ISUQUUIWSA-N 0 1 254.286 0.725 20 5 CCBDMN O=C(NCc1cnn2ccccc12)[C@@H]1CC1[N+](=O)[O-] ZINC000839763105 640359676 /nfs/dbraw/zinc/35/96/76/640359676.db2.gz YWHSZBNBICJKTK-MWLCHTKSSA-N 0 1 260.253 0.616 20 5 CCBDMN Cc1cnn([C@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000839773953 640363476 /nfs/dbraw/zinc/36/34/76/640363476.db2.gz JZAOEHZYKTVYMJ-HBNTYKKESA-N 0 1 264.285 0.630 20 5 CCBDMN O=C(NC[C@@H](CO)C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839779163 640364827 /nfs/dbraw/zinc/36/48/27/640364827.db2.gz UINATSHPSNYNBW-QJPTWQEYSA-N 0 1 270.329 0.957 20 5 CCBDMN C[C@@H](CO)N(CC1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840426818 641575597 /nfs/dbraw/zinc/57/55/97/641575597.db2.gz YYEXJMPFEJWRAG-JMJZKYOTSA-N 0 1 256.302 0.661 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN[C@@H](c2ccccc2)C1 ZINC000840474379 641707547 /nfs/dbraw/zinc/70/75/47/641707547.db2.gz HJGVVTGSYIQKFT-JHJVBQTASA-N 0 1 275.308 0.825 20 5 CCBDMN COc1cncc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000824614198 641834481 /nfs/dbraw/zinc/83/44/81/641834481.db2.gz WCJRMPNCEQFZBJ-NXEZZACHSA-N 0 1 251.242 0.372 20 5 CCBDMN C[C@@H]1[C@@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1C(=O)[O-] ZINC000833830650 642542590 /nfs/dbraw/zinc/54/25/90/642542590.db2.gz WETKQEYRZVOXDX-NXEZZACHSA-N 0 1 297.315 0.864 20 5 CCBDMN C[C@@H]1[C@@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1C(=O)[O-] ZINC000833830650 642542604 /nfs/dbraw/zinc/54/26/04/642542604.db2.gz WETKQEYRZVOXDX-NXEZZACHSA-N 0 1 297.315 0.864 20 5 CCBDMN O=C(CNC(=O)C1CC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837424268 642743692 /nfs/dbraw/zinc/74/36/92/642743692.db2.gz QYQWLWBDVURTQI-UHFFFAOYSA-N 0 1 294.263 0.870 20 5 CCBDMN O=C(OCCN1CCCCC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842304123 642890071 /nfs/dbraw/zinc/89/00/71/642890071.db2.gz MUXUJPJIEPUSEG-RKDXNWHRSA-N 0 1 256.258 0.207 20 5 CCBDMN O=C(O[C@@H]1CC(=O)NC2(CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842460105 642898084 /nfs/dbraw/zinc/89/80/84/642898084.db2.gz QAFLQFGWRVQTOY-IWSPIJDZSA-N 0 1 268.269 0.396 20 5 CCBDMN Cc1cccc2nc(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])cn21 ZINC000843748767 643107188 /nfs/dbraw/zinc/10/71/88/643107188.db2.gz AATJQRCUAMNRAZ-VXGBXAGGSA-N 0 1 288.307 0.967 20 5 CCBDMN Nc1ccc(N2CC(N3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000845720432 643340423 /nfs/dbraw/zinc/34/04/23/643340423.db2.gz BLDBTOMRANEBRG-LLVKDONJSA-N 0 1 278.312 0.432 20 5 CCBDMN O=C(OCc1cc(C2CC2)[nH]n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000848010068 643573344 /nfs/dbraw/zinc/57/33/44/643573344.db2.gz SZIXYGVOGMIRLQ-PSASIEDQSA-N 0 1 251.242 0.996 20 5 CCBDMN O=C(OCc1ccc2nonc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000848766549 643676672 /nfs/dbraw/zinc/67/66/72/643676672.db2.gz VGQMSESOVBLZAQ-GMSGAONNSA-N 0 1 263.209 0.931 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(CO)(CO)C2)cc1 ZINC000852629759 643984006 /nfs/dbraw/zinc/98/40/06/643984006.db2.gz LSDRKFBEMWVKEO-CYBMUJFWSA-N 0 1 296.323 0.305 20 5 CCBDMN O=C(N[C@H]1C[C@@H](O)c2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000855733062 644358565 /nfs/dbraw/zinc/35/85/65/644358565.db2.gz VBQMEPZBBUGBHU-WRWGMCAJSA-N 0 1 262.265 0.946 20 5 CCBDMN O=C(N[C@H]1COc2cc(F)ccc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000855813321 644364572 /nfs/dbraw/zinc/36/45/72/644364572.db2.gz ZGHLCSCYBYTWHF-GMTAPVOTSA-N 0 1 280.255 0.911 20 5 CCBDMN Cn1cc(CNCCn2cc([N+](=O)[O-])cn2)c(Cl)n1 ZINC000856773312 644433942 /nfs/dbraw/zinc/43/39/42/644433942.db2.gz CXRIELAGIWLYNG-UHFFFAOYSA-N 0 1 284.707 0.968 20 5 CCBDMN O=C(C1CC1)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019013806 650930409 /nfs/dbraw/zinc/93/04/09/650930409.db2.gz MCQNCASGSRRGHM-GHMZBOCLSA-N 0 1 293.323 0.123 20 5 CCBDMN [NH3+]CC[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857762793 644556187 /nfs/dbraw/zinc/55/61/87/644556187.db2.gz CZUXASKXXADEKT-UHFFFAOYSA-N 0 1 275.211 0.641 20 5 CCBDMN O=C(NC[C@@H]1COCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000861964126 644948113 /nfs/dbraw/zinc/94/81/13/644948113.db2.gz FOKRYOYOQULARR-MRVPVSSYSA-N 0 1 292.251 0.574 20 5 CCBDMN O=[N+]([O-])c1ncccc1Cn1cc(CNC2CC2)nn1 ZINC000887462878 648112107 /nfs/dbraw/zinc/11/21/07/648112107.db2.gz GJTYLGUKTFDWJP-UHFFFAOYSA-N 0 1 274.284 0.882 20 5 CCBDMN CN1CCO[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000601174325 719379395 /nfs/dbraw/zinc/37/93/95/719379395.db2.gz UDKNHRDSTJZCBL-WDEREUQCSA-N 0 1 282.275 0.648 20 5 CCBDMN CN1CCO[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]21 ZINC001164669858 719400902 /nfs/dbraw/zinc/40/09/02/719400902.db2.gz VUQIWOYCVLRQRQ-GHMZBOCLSA-N 0 1 279.300 0.091 20 5 CCBDMN CCN1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1 ZINC001123413868 799408151 /nfs/dbraw/zinc/40/81/51/799408151.db2.gz SPUOUXFCSYNULQ-UHFFFAOYSA-N 0 1 294.359 0.607 20 5 CCBDMN COC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC001155068450 800902961 /nfs/dbraw/zinc/90/29/61/800902961.db2.gz IVXPHALKDIQVPZ-SECBINFHSA-N 0 1 292.255 0.225 20 5 CCBDMN Cc1cnc(CN)n1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001158164600 801580214 /nfs/dbraw/zinc/58/02/14/801580214.db2.gz OEINDTUXCXVNDD-UHFFFAOYSA-N 0 1 283.675 0.834 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2ncc([N+](=O)[O-])cn2)S1 ZINC001163658817 802582880 /nfs/dbraw/zinc/58/28/80/802582880.db2.gz AOHMZBWGIWRBGE-YFKPBYRVSA-N 0 1 255.215 0.106 20 5 CCBDMN CCN1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001163984627 802644278 /nfs/dbraw/zinc/64/42/78/802644278.db2.gz VBXUDFSCRPDLLA-MRVPVSSYSA-N 0 1 279.300 0.595 20 5 CCBDMN COc1ncnc(N2CC[C@H](N)C(F)(F)C2)c1[N+](=O)[O-] ZINC001166962205 802996978 /nfs/dbraw/zinc/99/69/78/802996978.db2.gz UNVDEOYSVHBYPN-LURJTMIESA-N 0 1 289.242 0.566 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1C[C@H](O)C1 ZINC001213584773 803697345 /nfs/dbraw/zinc/69/73/45/803697345.db2.gz QOHYKCFTLYSJSS-ZKCHVHJHSA-N 0 1 287.297 0.039 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@]23CCOC3)c1[N+](=O)[O-] ZINC001142464204 815010193 /nfs/dbraw/zinc/01/01/93/815010193.db2.gz IPTBWGHJNRSXID-LLVKDONJSA-N 0 1 266.257 0.631 20 5 CCBDMN CN1CCO[C@@H](COc2cc(O)ccc2[N+](=O)[O-])C1=O ZINC001225490776 805136028 /nfs/dbraw/zinc/13/60/28/805136028.db2.gz KGZNZQRZDVTCSX-NSHDSACASA-N 0 1 282.252 0.536 20 5 CCBDMN CO[C@@H]1CC[N@H+](CCOc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228140921 805418599 /nfs/dbraw/zinc/41/85/99/805418599.db2.gz NVUAURJPWQEWCL-MRVPVSSYSA-N 0 1 284.272 0.190 20 5 CCBDMN CO[C@@H]1CC[N@@H+](CCOc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228140921 805418603 /nfs/dbraw/zinc/41/86/03/805418603.db2.gz NVUAURJPWQEWCL-MRVPVSSYSA-N 0 1 284.272 0.190 20 5 CCBDMN O=C1OC[C@H](COc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])O1 ZINC001228603465 805457947 /nfs/dbraw/zinc/45/79/47/805457947.db2.gz JYGCWRKJGNRNQB-LURJTMIESA-N 0 1 297.223 0.882 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C)CON)cc1O ZINC001228813586 805482813 /nfs/dbraw/zinc/48/28/13/805482813.db2.gz DGZXDTLQPIWSSZ-LURJTMIESA-N 0 1 286.240 0.745 20 5 CCBDMN CC(=O)N1CC[C@@H](Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001229382143 805526316 /nfs/dbraw/zinc/52/63/16/805526316.db2.gz PYWHNNXUGVJTLP-MRVPVSSYSA-N 0 1 282.256 0.398 20 5 CCBDMN Cc1nc(O[C@@H](C)CN2CCOCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377060 805527895 /nfs/dbraw/zinc/52/78/95/805527895.db2.gz YYHBAEBABLTXNB-QMMMGPOBSA-N 0 1 298.299 0.498 20 5 CCBDMN C[C@@H]1CC[C@H](C(N)=O)[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001278754544 808168312 /nfs/dbraw/zinc/16/83/12/808168312.db2.gz IHCBNWIEGKJLCY-SOYHJAILSA-N 0 1 269.301 0.153 20 5 CCBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC[P@@](=O)([O-])O)C2 ZINC001254583892 808263953 /nfs/dbraw/zinc/26/39/53/808263953.db2.gz OMRAOSSUWOKENQ-SNVBAGLBSA-N 0 1 286.224 0.829 20 5 CCBDMN Cc1nc([C@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC001258173008 808661136 /nfs/dbraw/zinc/66/11/36/808661136.db2.gz NCYJPEBWRQCUQW-LURJTMIESA-N 0 1 279.260 0.095 20 5 CCBDMN Cc1c(C(=O)N2CCNC[C@H]2CO)cccc1[N+](=O)[O-] ZINC001263180442 809472576 /nfs/dbraw/zinc/47/25/76/809472576.db2.gz LYUMJJVTEXZSEO-JTQLQIEISA-N 0 1 279.296 0.310 20 5 CCBDMN COc1cc(-n2c(C)ncc(CN)c2=N)cnc1[N+](=O)[O-] ZINC001167676262 811235295 /nfs/dbraw/zinc/23/52/95/811235295.db2.gz WKZNIDSBCBIYNR-UHFFFAOYSA-N 0 1 290.283 0.431 20 5 CCBDMN O=C(NCC1CN(Cc2nccs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661759 817228410 /nfs/dbraw/zinc/22/84/10/817228410.db2.gz HPVYTTBLCDKWDP-NXEZZACHSA-N 0 1 296.352 0.356 20 5 CCBDMN Cn1nccc1[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC001129067193 819397601 /nfs/dbraw/zinc/39/76/01/819397601.db2.gz AZNXGOZLJMHRAX-SPFNVWMYSA-N 0 1 294.311 0.422 20 5 CCBDMN O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC000705369843 819500659 /nfs/dbraw/zinc/50/06/59/819500659.db2.gz NQSVYGAMCJXOOD-TXEJJXNPSA-N 0 1 266.297 0.627 20 5 CCBDMN O=[N+]([O-])c1cccc(CN2C[C@H](CO)[C@H](CO)C2)c1 ZINC000705369843 819500660 /nfs/dbraw/zinc/50/06/60/819500660.db2.gz NQSVYGAMCJXOOD-TXEJJXNPSA-N 0 1 266.297 0.627 20 5 CCBDMN CCN(C(=O)C=C(C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079256179 820340222 /nfs/dbraw/zinc/34/02/22/820340222.db2.gz FOYSLEVZSZPFPP-VXGBXAGGSA-N 0 1 295.339 0.677 20 5 CCBDMN C[N@@H+]1CC[C@@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000712294090 822298192 /nfs/dbraw/zinc/29/81/92/822298192.db2.gz RTCMISPHYPHZIN-MRVPVSSYSA-N 0 1 265.269 0.734 20 5 CCBDMN C[N@H+]1CC[C@@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000712294090 822298203 /nfs/dbraw/zinc/29/82/03/822298203.db2.gz RTCMISPHYPHZIN-MRVPVSSYSA-N 0 1 265.269 0.734 20 5 CCBDMN NCc1nnnn1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001168920985 836054767 /nfs/dbraw/zinc/05/47/67/836054767.db2.gz ODRPXQHTENXIFP-UHFFFAOYSA-N 0 1 275.272 0.303 20 5 CCBDMN NCc1nnnn1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001168920338 836055063 /nfs/dbraw/zinc/05/50/63/836055063.db2.gz NLNKCOXZIVNBFW-UHFFFAOYSA-N 0 1 259.229 0.511 20 5 CCBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN3CCOC[C@@H]3C2)C1 ZINC001169013852 836098888 /nfs/dbraw/zinc/09/88/88/836098888.db2.gz WRSAPPXIPFGKMH-UPJWGTAASA-N 0 1 269.345 0.448 20 5 CCBDMN COc1cc([N+](=O)[O-])cnc1NC[C@H]1COCCN1 ZINC001170033411 836752080 /nfs/dbraw/zinc/75/20/80/836752080.db2.gz UYMPCVKBCLMJAH-QMMMGPOBSA-N 0 1 268.273 0.399 20 5 CCBDMN O=[N+]([O-])c1c2nsnc2ccc1NC[C@H]1COCCN1 ZINC001170044930 836781194 /nfs/dbraw/zinc/78/11/94/836781194.db2.gz PKBNHIDAIXLMLX-ZETCQYMHSA-N 0 1 295.324 1.000 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(CCOCC2CC2)CC1 ZINC001112835985 836936870 /nfs/dbraw/zinc/93/68/70/836936870.db2.gz WPRUOTNBTPHICE-CHWSQXEVSA-N 0 1 297.355 0.222 20 5 CCBDMN O=[N+]([O-])c1cnc(NC[C@@H]2COCCN2)c([N+](=O)[O-])c1 ZINC001159042772 838818346 /nfs/dbraw/zinc/81/83/46/838818346.db2.gz KFYRWLPJSYHYIT-SSDOTTSWSA-N 0 1 283.244 0.298 20 5 CCBDMN COc1cc(C(=O)Nc2nn[nH]n2)c([N+](=O)[O-])cc1F ZINC001136946776 839815563 /nfs/dbraw/zinc/81/55/63/839815563.db2.gz MCLGGNIKHHNILU-UHFFFAOYSA-N 0 1 282.191 0.508 20 5 CCBDMN Cc1cc(NCCNC(=O)c2ncn[nH]2)ncc1[N+](=O)[O-] ZINC001093793357 841459060 /nfs/dbraw/zinc/45/90/60/841459060.db2.gz OPLJSKRVJZLIQI-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN Cc1cc(NCCNC(=O)c2nc[nH]n2)ncc1[N+](=O)[O-] ZINC001093793357 841459064 /nfs/dbraw/zinc/45/90/64/841459064.db2.gz OPLJSKRVJZLIQI-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1(CO)COC1 ZINC001173218891 842017798 /nfs/dbraw/zinc/01/77/98/842017798.db2.gz SKMQEUAVTNFHEI-SNVBAGLBSA-N 0 1 266.297 0.877 20 5 CCBDMN Cn1nc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1C1CC1 ZINC001178954146 842948307 /nfs/dbraw/zinc/94/83/07/842948307.db2.gz JQRXEVLSLGKSTN-UHFFFAOYSA-N 0 1 290.283 0.859 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2nccs2)C1 ZINC001042704984 850741396 /nfs/dbraw/zinc/74/13/96/850741396.db2.gz FMYYLMONIZJEKD-NXEZZACHSA-N 0 1 296.352 0.451 20 5 CCBDMN CN(CCNC(=O)c1cnn[nH]1)c1ccccc1[N+](=O)[O-] ZINC001100400487 855160683 /nfs/dbraw/zinc/16/06/83/855160683.db2.gz GMGJJZLPGQBJRA-UHFFFAOYSA-N 0 1 290.283 0.579 20 5 CCBDMN COC(=O)[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@@H](C)CC1 ZINC001118726591 856413768 /nfs/dbraw/zinc/41/37/68/856413768.db2.gz BILZQJLYFOOZIV-VWMGYNLJSA-N 0 1 284.312 0.890 20 5 CCBDMN Cn1c(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])nc2ccccc21 ZINC001325197228 913270278 /nfs/dbraw/zinc/27/02/78/913270278.db2.gz OXUDHJGJLQIYIA-BXKDBHETSA-N 0 1 288.307 0.897 20 5 CCBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001326500571 913990378 /nfs/dbraw/zinc/99/03/78/913990378.db2.gz FRERHTLIGNNRBW-ZJUUUORDSA-N 0 1 282.300 0.976 20 5 CCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1(C2CC2)CC1 ZINC001284521666 905358084 /nfs/dbraw/zinc/35/80/84/905358084.db2.gz GSDINSKSJDVVDV-GHMZBOCLSA-N 0 1 295.339 0.416 20 5 CCBDMN CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001289934347 906098191 /nfs/dbraw/zinc/09/81/91/906098191.db2.gz SZORCBWAMHRXAF-LXUNUROVSA-N 0 1 282.296 0.594 20 5 CCBDMN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001337635226 921279460 /nfs/dbraw/zinc/27/94/60/921279460.db2.gz LKCBOYMNNIMQMV-SGIHWFKDSA-N 0 1 270.285 0.500 20 5 CCBDMN CN1CC2(C1)CCN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C2 ZINC001297228905 907042540 /nfs/dbraw/zinc/04/25/40/907042540.db2.gz HOAGFUBJHDMVTF-UHFFFAOYSA-N 0 1 299.718 0.749 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCc2nc[nH]c2C1 ZINC001298764776 907324800 /nfs/dbraw/zinc/32/48/00/907324800.db2.gz JQILKDGWMKDORN-UHFFFAOYSA-N 0 1 290.283 0.408 20 5 CCBDMN CCN1CCN(c2nnc(CCC[N+](=O)[O-])n2C)C[C@@H]1C ZINC001338013668 921339952 /nfs/dbraw/zinc/33/99/52/921339952.db2.gz CTPIQVWKEGMMBQ-NSHDSACASA-N 0 1 296.375 0.555 20 5 CCBDMN CC1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)COC1 ZINC001302316868 908014592 /nfs/dbraw/zinc/01/45/92/908014592.db2.gz MFDMVARPUPZESL-UHFFFAOYSA-N 0 1 252.226 0.819 20 5 CCBDMN Cn1c(C[N+](=O)[O-])nnc1N1CCN(CC2CC2)CC1 ZINC001338205693 921399803 /nfs/dbraw/zinc/39/98/03/921399803.db2.gz LZONRBCIVXXWQF-UHFFFAOYSA-N 0 1 280.332 0.124 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001307829956 908352650 /nfs/dbraw/zinc/35/26/50/908352650.db2.gz VCKQRETVXPSIDF-PWSUYJOCSA-N 0 1 282.296 0.259 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1C[C@H](O)[C@@H](CO)C1 ZINC001307829956 908352669 /nfs/dbraw/zinc/35/26/69/908352669.db2.gz VCKQRETVXPSIDF-PWSUYJOCSA-N 0 1 282.296 0.259 20 5 CCBDMN CCC(=O)NC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001308077950 908377959 /nfs/dbraw/zinc/37/79/59/908377959.db2.gz PIMAHEAOBHKNFS-UHFFFAOYSA-N 0 1 295.343 0.782 20 5 CCBDMN Cc1nn(C)c(C(=O)N(C)Cc2cnc[nH]2)c1[N+](=O)[O-] ZINC001329350531 908755346 /nfs/dbraw/zinc/75/53/46/908755346.db2.gz QDQPPPADKMISLJ-UHFFFAOYSA-N 0 1 278.272 0.632 20 5 CCBDMN O=C(NCCc1cnccn1)c1n[nH]cc1[N+](=O)[O-] ZINC001319935653 910360925 /nfs/dbraw/zinc/36/09/25/910360925.db2.gz UOZHFPBDGOZERR-UHFFFAOYSA-N 0 1 262.229 0.080 20 5 CCBDMN CN1CCN(C(C)(C)CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC001320462649 910685143 /nfs/dbraw/zinc/68/51/43/910685143.db2.gz JYHHIPGFDXZAJD-UHFFFAOYSA-N 0 1 294.359 0.823 20 5 CCBDMN COCc1nc(CNc2c(C)cncc2[N+](=O)[O-])n[nH]1 ZINC001330077895 916401608 /nfs/dbraw/zinc/40/16/08/916401608.db2.gz GRDHAYGFNQFGQZ-UHFFFAOYSA-N 0 1 278.272 0.597 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CC=CC1 ZINC001334607750 919678692 /nfs/dbraw/zinc/67/86/92/919678692.db2.gz MSXIFUGYLJWJJJ-UHFFFAOYSA-N 0 1 279.300 0.088 20 5 CCBDMN Cc1noc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n1 ZINC001341868557 922704355 /nfs/dbraw/zinc/70/43/55/922704355.db2.gz HZVMRYSMBGEAOP-UHFFFAOYSA-N 0 1 266.217 0.580 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2nc[nH]c2C1 ZINC001344030096 923533699 /nfs/dbraw/zinc/53/36/99/923533699.db2.gz DKOLOEYTPFUJDW-UHFFFAOYSA-N 0 1 290.283 0.408 20 5 CCBDMN NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001352257692 925551427 /nfs/dbraw/zinc/55/14/27/925551427.db2.gz JOMDOHRSHYWYGJ-VXNVDRBHSA-N 0 1 267.216 0.528 20 5 CCBDMN CC(C)=CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001358645680 926773701 /nfs/dbraw/zinc/77/37/01/926773701.db2.gz GXCKUYWQLCFEHR-NXEZZACHSA-N 0 1 281.312 0.383 20 5 CCBDMN Cc1cc(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001443938255 929745916 /nfs/dbraw/zinc/74/59/16/929745916.db2.gz UOTUWEIEVIQKLF-GFCCVEGCSA-N 0 1 290.279 0.976 20 5 CCBDMN Cn1cc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c([N+](=O)[O-])n1 ZINC001594543275 955672898 /nfs/dbraw/zinc/67/28/98/955672898.db2.gz WHGBHXUCDZSFDH-NSHDSACASA-N 0 1 268.273 0.625 20 5 CCBDMN Cc1nn(CCC(=O)N2CCNC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000124482392 187139645 /nfs/dbraw/zinc/13/96/45/187139645.db2.gz GZMMYFZDQUETBG-SECBINFHSA-N 0 1 295.343 0.619 20 5 CCBDMN COC(=O)[C@@]1(OC)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000599564007 361743124 /nfs/dbraw/zinc/74/31/24/361743124.db2.gz PKVVXXHFOYUZOI-GFCCVEGCSA-N 0 1 298.299 0.055 20 5 CCBDMN C[NH+](C)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000124820965 187155150 /nfs/dbraw/zinc/15/51/50/187155150.db2.gz JBHCTEOPRNBTKT-UHFFFAOYSA-N 0 1 294.311 0.862 20 5 CCBDMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600440769 361962042 /nfs/dbraw/zinc/96/20/42/361962042.db2.gz KHZFEOATKLCOHJ-XZMZPDFPSA-N 0 1 268.273 0.860 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(C)CC1 ZINC000103247498 349694186 /nfs/dbraw/zinc/69/41/86/349694186.db2.gz VLVCSTWIPVVGIC-UHFFFAOYSA-N 0 1 281.316 0.264 20 5 CCBDMN O=C(N[C@@H]1CCOC[C@H]1O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600591577 362016930 /nfs/dbraw/zinc/01/69/30/362016930.db2.gz MNSXXLQVHKDWFE-GHMZBOCLSA-N 0 1 282.252 0.180 20 5 CCBDMN O=C(Cc1ccccc1[N+](=O)[O-])NCCN1CC[C@@H](O)C1 ZINC000600556428 362009110 /nfs/dbraw/zinc/00/91/10/362009110.db2.gz YFYLWCUTFAKWMG-GFCCVEGCSA-N 0 1 293.323 0.320 20 5 CCBDMN COCCOC[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602483040 362638914 /nfs/dbraw/zinc/63/89/14/362638914.db2.gz IHBYXETVKJZYMK-NSHDSACASA-N 0 1 298.343 0.813 20 5 CCBDMN Cn1cc(CN2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])n1 ZINC000602487018 362640808 /nfs/dbraw/zinc/64/08/08/362640808.db2.gz YHJYSEHFQIJPAY-GFCCVEGCSA-N 0 1 266.301 0.941 20 5 CCBDMN C[C@@H](O)[C@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602589136 362696019 /nfs/dbraw/zinc/69/60/19/362696019.db2.gz CUNHOXCISGKISG-ZJUUUORDSA-N 0 1 268.317 0.921 20 5 CCBDMN C[NH+](C)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000186916545 136914163 /nfs/dbraw/zinc/91/41/63/136914163.db2.gz YHBDPOWLVXWAAO-UHFFFAOYSA-N 0 1 294.311 0.862 20 5 CCBDMN O=C([O-])C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262639270 137048688 /nfs/dbraw/zinc/04/86/88/137048688.db2.gz IOWKFKXPVUAHOJ-MRVPVSSYSA-N 0 1 266.257 0.561 20 5 CCBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])Nc1cccnc1 ZINC000343339849 137129844 /nfs/dbraw/zinc/12/98/44/137129844.db2.gz KPCYEYGXTGKRFR-UHFFFAOYSA-N 0 1 290.239 0.081 20 5 CCBDMN O=C(Cc1ccccc1[N+](=O)[O-])NCc1nnc[nH]1 ZINC000037920279 348218811 /nfs/dbraw/zinc/21/88/11/348218811.db2.gz PMXTUIMPYIIVNR-UHFFFAOYSA-N 0 1 261.241 0.572 20 5 CCBDMN CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCN(C2CC2)C1 ZINC000347214177 137325852 /nfs/dbraw/zinc/32/58/52/137325852.db2.gz IINZIHJQSCEXSC-SNVBAGLBSA-N 0 1 293.327 0.637 20 5 CCBDMN C[C@]1(F)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000347366554 137332974 /nfs/dbraw/zinc/33/29/74/137332974.db2.gz ZREATUITJHOAFS-MNOVXSKESA-N 0 1 272.280 0.586 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2C)n1 ZINC000347693910 137350413 /nfs/dbraw/zinc/35/04/13/137350413.db2.gz XTABPXLKYMOZHG-MRVPVSSYSA-N 0 1 267.289 0.152 20 5 CCBDMN CCOC(=O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000057301638 348606106 /nfs/dbraw/zinc/60/61/06/348606106.db2.gz ZRLUZJWRNRUHIE-UHFFFAOYSA-N 0 1 292.251 0.764 20 5 CCBDMN COC(=O)CCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000120695456 350000149 /nfs/dbraw/zinc/00/01/49/350000149.db2.gz TWVFYLNBGTVQTQ-UHFFFAOYSA-N 0 1 270.245 0.391 20 5 CCBDMN O=C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000065954584 348730107 /nfs/dbraw/zinc/73/01/07/348730107.db2.gz AOFWODMFPPZMEB-UHFFFAOYSA-N 0 1 279.296 0.796 20 5 CCBDMN CN(Cc1cn[nH]c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000085825835 349335867 /nfs/dbraw/zinc/33/58/67/349335867.db2.gz BLGMPEWYWVMXIH-NSHDSACASA-N 0 1 280.288 0.007 20 5 CCBDMN O=C(NCc1cn2ccccc2n1)c1n[nH]cc1[N+](=O)[O-] ZINC000126406815 350145600 /nfs/dbraw/zinc/14/56/00/350145600.db2.gz UEGIYLCOUYOXNL-UHFFFAOYSA-N 0 1 286.251 0.896 20 5 CCBDMN COc1ccc(NC(=O)C[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000136483696 350423166 /nfs/dbraw/zinc/42/31/66/350423166.db2.gz ZXIYORXYXSBTFR-SNVBAGLBSA-N 0 1 295.295 0.920 20 5 CCBDMN O=[N+]([O-])c1cnn(CCNCc2ccc(CO)o2)c1 ZINC000151265777 350497141 /nfs/dbraw/zinc/49/71/41/350497141.db2.gz JDVILQFJSKACNH-UHFFFAOYSA-N 0 1 266.257 0.666 20 5 CCBDMN O=C(NCC1(CCO)CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000160116140 350694873 /nfs/dbraw/zinc/69/48/73/350694873.db2.gz LMMNNSAVENDGKR-UHFFFAOYSA-N 0 1 268.273 0.600 20 5 CCBDMN O=C(NC1(CO)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000160333033 350698878 /nfs/dbraw/zinc/69/88/78/350698878.db2.gz BPIIWFNLJXUUBF-UHFFFAOYSA-N 0 1 276.252 0.726 20 5 CCBDMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])CN1CCOCC1 ZINC000162808847 350754432 /nfs/dbraw/zinc/75/44/32/350754432.db2.gz RDTBRSGZBFSZNR-SECBINFHSA-N 0 1 297.315 0.016 20 5 CCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(O)C1 ZINC000161425466 350720641 /nfs/dbraw/zinc/72/06/41/350720641.db2.gz OUOIUDZXZUBTPC-UHFFFAOYSA-N 0 1 262.225 0.288 20 5 CCBDMN CNC(=O)c1ccc(NCCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000168720556 350830963 /nfs/dbraw/zinc/83/09/63/350830963.db2.gz UCYZFYGZJPKZRI-UHFFFAOYSA-N 0 1 290.283 0.727 20 5 CCBDMN CCN1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC000618385412 366010410 /nfs/dbraw/zinc/01/04/10/366010410.db2.gz HLNPIBCXJZZCJU-SECBINFHSA-N 0 1 294.311 0.862 20 5 CCBDMN CCNC(=O)CN(CC)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000171665369 350926363 /nfs/dbraw/zinc/92/63/63/350926363.db2.gz HNXNSYMVBBLPOC-UHFFFAOYSA-N 0 1 297.315 0.479 20 5 CCBDMN CC(=O)N(C)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174834086 351106051 /nfs/dbraw/zinc/10/60/51/351106051.db2.gz SKNSIIPLAWNAHY-UHFFFAOYSA-N 0 1 295.343 0.734 20 5 CCBDMN CN(Cc1ccco1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174660028 351097412 /nfs/dbraw/zinc/09/74/12/351097412.db2.gz DZRFWTUKDVHTQS-NSHDSACASA-N 0 1 280.284 0.877 20 5 CCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCOC1 ZINC000178818890 351247402 /nfs/dbraw/zinc/24/74/02/351247402.db2.gz HKYHMUGEKULTNO-SSDOTTSWSA-N 0 1 290.272 0.801 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2C(=O)OC)c1[N+](=O)[O-] ZINC000195412564 351912006 /nfs/dbraw/zinc/91/20/06/351912006.db2.gz HUOJHXUZFSFIIK-MRVPVSSYSA-N 0 1 296.283 0.658 20 5 CCBDMN CN(C)S(=O)(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000230990444 352124174 /nfs/dbraw/zinc/12/41/74/352124174.db2.gz CITKDNUAKDLABT-UHFFFAOYSA-N 0 1 287.341 0.576 20 5 CCBDMN Cc1c(CNC(=O)C[C@H]2COCCN2)cccc1[N+](=O)[O-] ZINC000231857019 352137614 /nfs/dbraw/zinc/13/76/14/352137614.db2.gz KAEXUTJUHJGGDP-LBPRGKRZSA-N 0 1 293.323 0.898 20 5 CCBDMN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271471790 191156666 /nfs/dbraw/zinc/15/66/66/191156666.db2.gz YXTYJGUIWWVVJB-WPRPVWTQSA-N 0 1 293.327 0.541 20 5 CCBDMN C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000247697898 352423745 /nfs/dbraw/zinc/42/37/45/352423745.db2.gz XBMGTCAQDZHFOY-CMPLNLGQSA-N 0 1 298.343 0.652 20 5 CCBDMN C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1nnc[nH]1 ZINC000271138855 353025811 /nfs/dbraw/zinc/02/58/11/353025811.db2.gz BKIOVZFRQFERIQ-BYPYZUCNSA-N 0 1 250.222 0.258 20 5 CCBDMN CN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000270864070 352997380 /nfs/dbraw/zinc/99/73/80/352997380.db2.gz ALZRLLYPXNBTNP-UHFFFAOYSA-N 0 1 281.316 0.344 20 5 CCBDMN CN(C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000274535354 353138243 /nfs/dbraw/zinc/13/82/43/353138243.db2.gz SBMBUNDXIYDJKC-UHFFFAOYSA-N 0 1 264.285 0.563 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC)CC(=O)OC)c1[N+](=O)[O-] ZINC000277674413 353257330 /nfs/dbraw/zinc/25/73/30/353257330.db2.gz FGJLEJWRFCVYFV-UHFFFAOYSA-N 0 1 284.272 0.515 20 5 CCBDMN CC(C)(C)c1nc(Cn2cnc([N+](=O)[O-])n2)n[nH]1 ZINC000292449258 198292887 /nfs/dbraw/zinc/29/28/87/198292887.db2.gz NTVPTKAFLGOESC-UHFFFAOYSA-N 0 1 251.250 0.650 20 5 CCBDMN O=c1nc(C2CCN(c3ncccc3[N+](=O)[O-])CC2)[nH][nH]1 ZINC000280676520 353374573 /nfs/dbraw/zinc/37/45/73/353374573.db2.gz DFUWAMZMJWMNMR-UHFFFAOYSA-N 0 1 290.283 0.785 20 5 CCBDMN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C[NH+](C)C ZINC000293657708 353828472 /nfs/dbraw/zinc/82/84/72/353828472.db2.gz BZOCARIGVKRFJD-QMMMGPOBSA-N 0 1 282.300 0.623 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H]2COC)c1[N+](=O)[O-] ZINC000293949492 353854291 /nfs/dbraw/zinc/85/42/91/353854291.db2.gz PZDVTSDDYCQZDE-SSDOTTSWSA-N 0 1 268.273 0.741 20 5 CCBDMN CC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299275759 354005266 /nfs/dbraw/zinc/00/52/66/354005266.db2.gz QNAZFHCIOIDPBI-UHFFFAOYSA-N 0 1 267.289 0.452 20 5 CCBDMN COC(=O)[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299535102 354025357 /nfs/dbraw/zinc/02/53/57/354025357.db2.gz MXONFCNRFREEFT-LURJTMIESA-N 0 1 284.272 0.507 20 5 CCBDMN COC1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000331423289 354569984 /nfs/dbraw/zinc/56/99/84/354569984.db2.gz AYLWZAQPEJHOLF-UHFFFAOYSA-N 0 1 268.273 0.912 20 5 CCBDMN CN(C)C1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000271800469 191335588 /nfs/dbraw/zinc/33/55/88/191335588.db2.gz WJQGPKQIHUXAGN-UHFFFAOYSA-N 0 1 278.312 0.779 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCCC2)n1 ZINC000427532484 235369824 /nfs/dbraw/zinc/36/98/24/235369824.db2.gz YZXYDNMJIKCTLU-UHFFFAOYSA-N 0 1 281.316 0.637 20 5 CCBDMN CC[C@@H]1CN(C)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000558982287 291075726 /nfs/dbraw/zinc/07/57/26/291075726.db2.gz IAMSMBTYUQPRCX-MRVPVSSYSA-N 0 1 266.305 0.328 20 5 CCBDMN O=C(NC[C@H]1CCC[C@@H](CO)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000360638874 138003759 /nfs/dbraw/zinc/00/37/59/138003759.db2.gz LTCLXQKJDJAVTJ-DTWKUNHWSA-N 0 1 282.300 0.846 20 5 CCBDMN CC[C@H](CO)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000361181061 138024373 /nfs/dbraw/zinc/02/43/73/138024373.db2.gz WKALOHMTJIMYSO-LLVKDONJSA-N 0 1 280.328 0.883 20 5 CCBDMN O=C(NCC[NH+]1CCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354342993 356394530 /nfs/dbraw/zinc/39/45/30/356394530.db2.gz ZVPWKMOIIURLFU-UHFFFAOYSA-N 0 1 265.269 0.736 20 5 CCBDMN CC(C)(NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1nn[nH]n1 ZINC000354779726 356496856 /nfs/dbraw/zinc/49/68/56/356496856.db2.gz WSLBUUGZNMTPDS-UHFFFAOYSA-N 0 1 265.233 0.101 20 5 CCBDMN COc1cc(CNC[C@@](C)(O)CO)c([N+](=O)[O-])cc1O ZINC000619464314 366263277 /nfs/dbraw/zinc/26/32/77/366263277.db2.gz QDLWEKGUHHHUQD-GFCCVEGCSA-N 0 1 286.284 0.142 20 5 CCBDMN O=C(CCc1cnc[nH]1)NCCn1cc([N+](=O)[O-])cn1 ZINC000355020594 356551954 /nfs/dbraw/zinc/55/19/54/356551954.db2.gz MLCRIEXLXBTOJP-UHFFFAOYSA-N 0 1 278.272 0.263 20 5 CCBDMN COC1CCN(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000619788655 366355067 /nfs/dbraw/zinc/35/50/67/366355067.db2.gz IIIBHAOBKBLUAH-UHFFFAOYSA-N 0 1 297.315 0.159 20 5 CCBDMN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000359635257 356862059 /nfs/dbraw/zinc/86/20/59/356862059.db2.gz NRJSSFMGYJGKHQ-QWRGUYRKSA-N 0 1 280.328 0.881 20 5 CCBDMN Cn1c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)ccc1[N+](=O)[O-] ZINC000446373799 235932586 /nfs/dbraw/zinc/93/25/86/235932586.db2.gz YXXWTFWXDHFCKD-AOOOYVTPSA-N 0 1 278.312 0.900 20 5 CCBDMN Cc1cc(N2CCN(CCO)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000450952739 236124271 /nfs/dbraw/zinc/12/42/71/236124271.db2.gz IWUBBJSYZSOCQB-LLVKDONJSA-N 0 1 280.328 0.801 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408130592 357930557 /nfs/dbraw/zinc/93/05/57/357930557.db2.gz VTERLYMJICLVBC-SCZZXKLOSA-N 0 1 295.343 0.849 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000408367950 358056024 /nfs/dbraw/zinc/05/60/24/358056024.db2.gz ZRPYMLJKHZVODT-MRVPVSSYSA-N 0 1 268.273 0.471 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588864041 359343587 /nfs/dbraw/zinc/34/35/87/359343587.db2.gz XJMULBFJRDUIGB-VHSXEESVSA-N 0 1 295.295 0.469 20 5 CCBDMN O=C(Nc1n[nH]c2ncnn12)c1csc([N+](=O)[O-])c1 ZINC000590379038 359446868 /nfs/dbraw/zinc/44/68/68/359446868.db2.gz JNHUCSDIGDEHLG-UHFFFAOYSA-N 0 1 279.241 0.674 20 5 CCBDMN Cc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ncn1 ZINC000591757390 359653847 /nfs/dbraw/zinc/65/38/47/359653847.db2.gz UNSQRDSWWKGEBX-GFCCVEGCSA-N 0 1 292.299 0.040 20 5 CCBDMN [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000592330720 359819308 /nfs/dbraw/zinc/81/93/08/359819308.db2.gz BWSIHZCQHDAAIX-SFYZADRCSA-N 0 1 280.284 0.695 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N=c2ncn(C(C)C)[nH]2)n1 ZINC000593233835 360054828 /nfs/dbraw/zinc/05/48/28/360054828.db2.gz YAMHXPVTRKFKTQ-UHFFFAOYSA-N 0 1 293.287 0.658 20 5 CCBDMN NC(=O)[C@@]1(NCCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000594034579 360240147 /nfs/dbraw/zinc/24/01/47/360240147.db2.gz DLWJWQOHKOVGTO-CYBMUJFWSA-N 0 1 279.296 0.371 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)Cc2nc(C)no2)c1[N+](=O)[O-] ZINC000594411756 360296269 /nfs/dbraw/zinc/29/62/69/360296269.db2.gz FPPBTTHUXDVGIQ-UHFFFAOYSA-N 0 1 294.271 0.844 20 5 CCBDMN O=[N+]([O-])c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)s1 ZINC000594604600 360338849 /nfs/dbraw/zinc/33/88/49/360338849.db2.gz ZMBMUSLLUIXCAB-DTWKUNHWSA-N 0 1 269.326 0.912 20 5 CCBDMN COCC1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594764779 360378233 /nfs/dbraw/zinc/37/82/33/360378233.db2.gz RWOICFWDTAXXOU-UHFFFAOYSA-N 0 1 287.297 0.447 20 5 CCBDMN CC(C)(O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594766694 360379482 /nfs/dbraw/zinc/37/94/82/360379482.db2.gz IWBUERIGGUDEIZ-UHFFFAOYSA-N 0 1 289.313 0.429 20 5 CCBDMN C[C@@H]1CC(=O)NCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556987 363737954 /nfs/dbraw/zinc/73/79/54/363737954.db2.gz SEPQIGRGYPUVAZ-MRVPVSSYSA-N 0 1 293.279 0.651 20 5 CCBDMN CO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C(=O)[O-])C1 ZINC000563457347 291232446 /nfs/dbraw/zinc/23/24/46/291232446.db2.gz ZXRSETYCQNCHJN-GHMZBOCLSA-N 0 1 298.299 0.355 20 5 CCBDMN Cc1ccc([C@@H](C)NC(=O)C2(O)CNC2)cc1[N+](=O)[O-] ZINC000595941055 360717805 /nfs/dbraw/zinc/71/78/05/360717805.db2.gz LHFQIJBRXMUWTO-SECBINFHSA-N 0 1 279.296 0.415 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCCc3n[nH]cc3C2)c1[N+](=O)[O-] ZINC000596007873 360774307 /nfs/dbraw/zinc/77/43/07/360774307.db2.gz LIVGCWTUHTYJJD-UHFFFAOYSA-N 0 1 290.283 0.938 20 5 CCBDMN CC(C)(CO)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596128729 360806009 /nfs/dbraw/zinc/80/60/09/360806009.db2.gz KNKMDPRTQWQZDF-UHFFFAOYSA-N 0 1 295.343 0.465 20 5 CCBDMN C[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCN1CCO ZINC000596209040 360836018 /nfs/dbraw/zinc/83/60/18/360836018.db2.gz MOBZWSAHWXMXFI-SECBINFHSA-N 0 1 282.300 0.198 20 5 CCBDMN O=C(N[C@H]1CCNC(=O)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597784921 361245300 /nfs/dbraw/zinc/24/53/00/361245300.db2.gz VXXCCOYSDIRHLF-SECBINFHSA-N 0 1 293.279 0.699 20 5 CCBDMN Cc1ccncc1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597978195 361298201 /nfs/dbraw/zinc/29/82/01/361298201.db2.gz PHBPXLJYNJKNHL-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC(=O)N(C)CC2)c1[N+](=O)[O-] ZINC000598294296 361381834 /nfs/dbraw/zinc/38/18/34/361381834.db2.gz QVCKIZHBBXBHTR-UHFFFAOYSA-N 0 1 295.299 0.185 20 5 CCBDMN Nc1c(F)c(NCCN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599176796 361599789 /nfs/dbraw/zinc/59/97/89/361599789.db2.gz YQDUIPGQNPIZPW-MRVPVSSYSA-N 0 1 284.291 0.795 20 5 CCBDMN C[C@@H]1CCC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599231986 361616705 /nfs/dbraw/zinc/61/67/05/361616705.db2.gz GHKOSJOKDRZMQZ-HTQZYQBOSA-N 0 1 288.329 0.795 20 5 CCBDMN CC(C)C1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599313845 361648354 /nfs/dbraw/zinc/64/83/54/361648354.db2.gz OUKRHHZCRUZAHA-UHFFFAOYSA-N 0 1 288.329 0.795 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCC2)n1 ZINC000599323983 361652816 /nfs/dbraw/zinc/65/28/16/361652816.db2.gz NUSHQUZDZBRLGC-UHFFFAOYSA-N 0 1 260.275 0.159 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)C[C@H](O)C1 ZINC000612578823 363963834 /nfs/dbraw/zinc/96/38/34/363963834.db2.gz LPIOPYCVPUYWRA-BETUJISGSA-N 0 1 266.297 0.831 20 5 CCBDMN C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C(=O)[O-])C1 ZINC000566368880 291398021 /nfs/dbraw/zinc/39/80/21/291398021.db2.gz UQHZSJJZFWYJFM-VHSXEESVSA-N 0 1 282.300 0.976 20 5 CCBDMN COC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000275890852 193156708 /nfs/dbraw/zinc/15/67/08/193156708.db2.gz CBGAXOUTBFPILR-CBAPKCEASA-N 0 1 298.299 0.502 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000263723084 190075107 /nfs/dbraw/zinc/07/51/07/190075107.db2.gz OGIWZTHFJRESSN-UHFFFAOYSA-N 0 1 292.299 0.886 20 5 CCBDMN C[C@@H](CN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000264435354 190109511 /nfs/dbraw/zinc/10/95/11/190109511.db2.gz VJPFDCXPUMEERJ-VIFPVBQESA-N 0 1 295.347 0.015 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000264587244 190120705 /nfs/dbraw/zinc/12/07/05/190120705.db2.gz AIGWIVBPXRRMBW-SSDOTTSWSA-N 0 1 296.283 0.515 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CCC(=O)NC)c1[N+](=O)[O-] ZINC000264644419 190125368 /nfs/dbraw/zinc/12/53/68/190125368.db2.gz CZKWREXOVACMIR-UHFFFAOYSA-N 0 1 283.288 0.088 20 5 CCBDMN Nc1nc(NCCCc2nc[nH]n2)ncc1[N+](=O)[O-] ZINC000280947511 195041400 /nfs/dbraw/zinc/04/14/00/195041400.db2.gz JHOOAIAUDOWMPM-UHFFFAOYSA-N 0 1 264.249 0.130 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000288638576 197133859 /nfs/dbraw/zinc/13/38/59/197133859.db2.gz YYJIHHUXIYRVDF-RKDXNWHRSA-N 0 1 282.300 0.866 20 5 CCBDMN C[C@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(=O)O1 ZINC000298550663 389029954 /nfs/dbraw/zinc/02/99/54/389029954.db2.gz XTKAIWAICHIJEH-WKEGUHRASA-N 0 1 280.236 0.734 20 5 CCBDMN O=C(C[C@H]1COCCN1)NCc1ccc([N+](=O)[O-])cc1 ZINC000130263811 389203062 /nfs/dbraw/zinc/20/30/62/389203062.db2.gz IZVFBYZPNSCKIM-NSHDSACASA-N 0 1 279.296 0.590 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(N(C)C)C1 ZINC000135012147 389251820 /nfs/dbraw/zinc/25/18/20/389251820.db2.gz FGPAPNRKUVQONW-UHFFFAOYSA-N 0 1 279.296 0.989 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000153377673 389298793 /nfs/dbraw/zinc/29/87/93/389298793.db2.gz LNUQNQGOJFDCGM-UWVGGRQHSA-N 0 1 295.343 0.699 20 5 CCBDMN C[C@H](CO)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000159732345 389372473 /nfs/dbraw/zinc/37/24/73/389372473.db2.gz VTUJQXVIZCHWHU-ZETCQYMHSA-N 0 1 292.288 0.641 20 5 CCBDMN O=C(NCCCn1cccn1)c1n[nH]cc1[N+](=O)[O-] ZINC000159832718 389375262 /nfs/dbraw/zinc/37/52/62/389375262.db2.gz WDUNQDDXPNKIHD-UHFFFAOYSA-N 0 1 264.245 0.335 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCO[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000268931949 389396756 /nfs/dbraw/zinc/39/67/56/389396756.db2.gz ZVNNNYXOZYPUBF-SFYZADRCSA-N 0 1 268.273 0.876 20 5 CCBDMN O=C(NCCNC(=O)C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269202093 389406881 /nfs/dbraw/zinc/40/68/81/389406881.db2.gz RUEPBRASVBOMEL-UHFFFAOYSA-N 0 1 293.279 0.556 20 5 CCBDMN CC(C)NC(=O)CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269216574 389408065 /nfs/dbraw/zinc/40/80/65/389408065.db2.gz YNIVZSUGIQUEIY-UHFFFAOYSA-N 0 1 295.295 0.897 20 5 CCBDMN Nc1nc(N[C@H]2CCc3[nH]cnc3C2)ncc1[N+](=O)[O-] ZINC000370861080 389421060 /nfs/dbraw/zinc/42/10/60/389421060.db2.gz LJVFMAIAKFRUTC-LURJTMIESA-N 0 1 275.272 0.490 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(CC)CCO)c1[N+](=O)[O-] ZINC000269488125 389422295 /nfs/dbraw/zinc/42/22/95/389422295.db2.gz LXBDZWRMRSSIHV-UHFFFAOYSA-N 0 1 270.289 0.725 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(O)(c2ccc(F)cc2)C1 ZINC000375011550 389627551 /nfs/dbraw/zinc/62/75/51/389627551.db2.gz QAAXBIFUJIZPDY-GHMZBOCLSA-N 0 1 280.255 0.521 20 5 CCBDMN CN(C)C(=O)C1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000413924916 389583217 /nfs/dbraw/zinc/58/32/17/389583217.db2.gz WYJBXHTYOFQYPM-UHFFFAOYSA-N 0 1 293.279 0.651 20 5 CCBDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445148182 389921785 /nfs/dbraw/zinc/92/17/85/389921785.db2.gz WOENDKBGXQQZLW-DTWKUNHWSA-N 0 1 294.311 0.860 20 5 CCBDMN CCc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])on1 ZINC000536539008 390162982 /nfs/dbraw/zinc/16/29/82/390162982.db2.gz YFKPZJVFAGRBGP-UHFFFAOYSA-N 0 1 265.229 0.798 20 5 CCBDMN CN(C)C1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000537120664 390174027 /nfs/dbraw/zinc/17/40/27/390174027.db2.gz BGJCKLIQPAOUOA-UHFFFAOYSA-N 0 1 252.274 0.319 20 5 CCBDMN O=C(N[C@H](CO)C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000539987632 390215704 /nfs/dbraw/zinc/21/57/04/390215704.db2.gz QMXMNHYWSYKRHP-SECBINFHSA-N 0 1 282.300 0.989 20 5 CCBDMN CN(C)C(=O)O[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000497247581 390444268 /nfs/dbraw/zinc/44/42/68/390444268.db2.gz UHXXBOUYUYJXKQ-OPRDCNLKSA-N 0 1 285.300 0.341 20 5 CCBDMN CNc1nc(C(=O)NCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000520252018 390564269 /nfs/dbraw/zinc/56/42/69/390564269.db2.gz UHMZILFJUJLURX-UHFFFAOYSA-N 0 1 291.271 0.122 20 5 CCBDMN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCNCC1 ZINC000572705126 390797968 /nfs/dbraw/zinc/79/79/68/390797968.db2.gz OAAWRDISMLOVSO-UHFFFAOYSA-N 0 1 294.311 0.588 20 5 CCBDMN C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000578768388 390901786 /nfs/dbraw/zinc/90/17/86/390901786.db2.gz XZZJCVYKLQOFGH-HTQZYQBOSA-N 0 1 280.284 0.505 20 5 CCBDMN CCC[C@H](C)C(=O)NCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000356574688 144015679 /nfs/dbraw/zinc/01/56/79/144015679.db2.gz ZXQAFSIOGHOGRS-QMMMGPOBSA-N 0 1 297.315 0.600 20 5 CCBDMN Cn1[nH]cnc1=NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356792489 144034259 /nfs/dbraw/zinc/03/42/59/144034259.db2.gz BRCFNHLJYFCTPF-UHFFFAOYSA-N 0 1 263.213 0.103 20 5 CCBDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000356907750 144043243 /nfs/dbraw/zinc/04/32/43/144043243.db2.gz UMILWWBQVKGMPK-VHSXEESVSA-N 0 1 281.316 0.342 20 5 CCBDMN COc1n[nH]c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000357596268 144103056 /nfs/dbraw/zinc/10/30/56/144103056.db2.gz IAQSTFPGADFLSD-UHFFFAOYSA-N 0 1 279.212 0.679 20 5 CCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1cnc[nH]1 ZINC000358593801 144164995 /nfs/dbraw/zinc/16/49/95/144164995.db2.gz RVZKFZXBTHKSMF-UHFFFAOYSA-N 0 1 264.245 0.221 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCCNC1=O ZINC000370002041 144286695 /nfs/dbraw/zinc/28/66/95/144286695.db2.gz MGSPOIFZFHQZEY-NSHDSACASA-N 0 1 281.316 0.392 20 5 CCBDMN CCOC(=O)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC000551909338 286135348 /nfs/dbraw/zinc/13/53/48/286135348.db2.gz IFJKMFXHJCDXJX-UHFFFAOYSA-N 0 1 296.283 0.781 20 5 CCBDMN CS(=O)(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC000020203644 171068294 /nfs/dbraw/zinc/06/82/94/171068294.db2.gz RWYGZGFAMPKNDS-UHFFFAOYSA-N 0 1 273.314 0.234 20 5 CCBDMN O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H](CO)[C@H](O)C2)cc1 ZINC000317379561 260206923 /nfs/dbraw/zinc/20/69/23/260206923.db2.gz HIFWOLIHUPOQGN-DGCLKSJQSA-N 0 1 266.297 0.422 20 5 CCBDMN CNC(=O)CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000025916536 277226884 /nfs/dbraw/zinc/22/68/84/277226884.db2.gz GHGUPWZOBMGDOS-UHFFFAOYSA-N 0 1 292.339 0.853 20 5 CCBDMN COCC(C)(C)N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000425269093 277481684 /nfs/dbraw/zinc/48/16/84/277481684.db2.gz BGZBCZOGLUUKCQ-UHFFFAOYSA-N 0 1 297.359 0.875 20 5 CCBDMN C[C@H](CN(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000344902518 279279530 /nfs/dbraw/zinc/27/95/30/279279530.db2.gz GOJLVIAZAOLPIN-SECBINFHSA-N 0 1 287.341 0.823 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)C(=O)OC)c1[N+](=O)[O-] ZINC000281488607 281362312 /nfs/dbraw/zinc/36/23/12/281362312.db2.gz DQHSFCDAAFNDTJ-LURJTMIESA-N 0 1 284.272 0.514 20 5 CCBDMN C[C@@H](O)CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000575986561 335138674 /nfs/dbraw/zinc/13/86/74/335138674.db2.gz KTDQJSGEIDMFMX-LLVKDONJSA-N 0 1 280.328 0.883 20 5 CCBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[NH+](C3CC3)CC2)n1 ZINC000166705466 334916152 /nfs/dbraw/zinc/91/61/52/334916152.db2.gz PMZZURNMVHMIHP-UHFFFAOYSA-N 0 1 292.295 0.972 20 5 CCBDMN C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000577512840 335363093 /nfs/dbraw/zinc/36/30/93/335363093.db2.gz ZCZLUSZNLJSNFC-GMSGAONNSA-N 0 1 280.284 0.423 20 5 CCBDMN CC1(C(N)=O)CN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000579106737 335709540 /nfs/dbraw/zinc/70/95/40/335709540.db2.gz YYOVZFUZIXQEKO-UHFFFAOYSA-N 0 1 265.269 0.608 20 5 CCBDMN C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000451927795 534074850 /nfs/dbraw/zinc/07/48/50/534074850.db2.gz JYHVBDPYTYPYSZ-VIFPVBQESA-N 0 1 287.341 0.823 20 5 CCBDMN O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000367248971 534748345 /nfs/dbraw/zinc/74/83/45/534748345.db2.gz QPPOGHIBWMZCKK-GMSGAONNSA-N 0 1 266.257 0.615 20 5 CCBDMN CCCN(CC(N)=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339214203 527943217 /nfs/dbraw/zinc/94/32/17/527943217.db2.gz RMDGBIWYGRVYJK-UHFFFAOYSA-N 0 1 267.285 0.998 20 5 CCBDMN CC(=O)NC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000754606432 581599343 /nfs/dbraw/zinc/59/93/43/581599343.db2.gz NEMZQEYPYUAMAM-ZCFIWIBFSA-N 0 1 255.230 0.604 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000768121183 581645379 /nfs/dbraw/zinc/64/53/79/581645379.db2.gz OABWCTNNCHNKJG-QMMMGPOBSA-N 0 1 298.299 0.104 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CCC(C)=O)c1[N+](=O)[O-] ZINC000768134008 581646139 /nfs/dbraw/zinc/64/61/39/581646139.db2.gz YGOSGOQWEOXRFG-UHFFFAOYSA-N 0 1 268.273 0.931 20 5 CCBDMN CC(C)C[C@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000764849633 582070762 /nfs/dbraw/zinc/07/07/62/582070762.db2.gz CZZTXEZXJIESDT-ZETCQYMHSA-N 0 1 256.262 0.455 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CCC(c2nc[nH]n2)CC1 ZINC000751236590 582072797 /nfs/dbraw/zinc/07/27/97/582072797.db2.gz PFAMVHLARMJCIB-UHFFFAOYSA-N 0 1 277.288 0.830 20 5 CCBDMN NC(=O)N[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776599229 582084457 /nfs/dbraw/zinc/08/44/57/582084457.db2.gz YSRDTXOTRZJLSF-ZYHUDNBSSA-N 0 1 294.311 0.371 20 5 CCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000839783761 615808182 /nfs/dbraw/zinc/80/81/82/615808182.db2.gz LKBULQZVCOABCQ-XZBKPIIZSA-N 0 1 252.217 0.172 20 5 CCBDMN O=C([O-])[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000821510217 597467637 /nfs/dbraw/zinc/46/76/37/597467637.db2.gz FSAIKTOZWHXQLC-LLVKDONJSA-N 0 1 295.295 0.696 20 5 CCBDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000828029383 601893631 /nfs/dbraw/zinc/89/36/31/601893631.db2.gz ZMQXVPWIELZTJX-JTQLQIEISA-N 0 1 254.246 0.545 20 5 CCBDMN C[C@]1(C(=O)[O-])CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000828029383 601893629 /nfs/dbraw/zinc/89/36/29/601893629.db2.gz ZMQXVPWIELZTJX-JTQLQIEISA-N 0 1 254.246 0.545 20 5 CCBDMN O=C([O-])NC[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000832533259 603707317 /nfs/dbraw/zinc/70/73/17/603707317.db2.gz JLBVSXVWTSHCBG-SNVBAGLBSA-N 0 1 297.315 0.771 20 5 CCBDMN O=C([O-])NC[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000832594220 603998525 /nfs/dbraw/zinc/99/85/25/603998525.db2.gz BRHAJBUUNSEAPS-SECBINFHSA-N 0 1 283.288 0.381 20 5 CCBDMN O=[N+]([O-])c1ccc(NCc2c[nH]nn2)c(-c2nn[nH]n2)c1 ZINC000823640072 606301500 /nfs/dbraw/zinc/30/15/00/606301500.db2.gz RBWUALXJFWDWRS-UHFFFAOYSA-N 0 1 287.243 0.505 20 5 CCBDMN CC(C)(C)OC(=O)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839782927 613963738 /nfs/dbraw/zinc/96/37/38/613963738.db2.gz CDIBVSIACZYIKS-RKDXNWHRSA-N 0 1 270.285 0.452 20 5 CCBDMN CC(C)CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672260 614052817 /nfs/dbraw/zinc/05/28/17/614052817.db2.gz GISUCTNSLCKZDZ-OPRDCNLKSA-N 0 1 272.301 0.746 20 5 CCBDMN CC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000863814220 613823970 /nfs/dbraw/zinc/82/39/70/613823970.db2.gz VVYJJUFOPVJXEC-GMTAPVOTSA-N 0 1 269.301 0.169 20 5 CCBDMN CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000976477074 614459212 /nfs/dbraw/zinc/45/92/12/614459212.db2.gz JZOIOQHPSSYANJ-NZFPMDFQSA-N 0 1 293.323 0.025 20 5 CCBDMN CCNCc1cn(Cc2cccnc2[N+](=O)[O-])nn1 ZINC000887463244 615102919 /nfs/dbraw/zinc/10/29/19/615102919.db2.gz WMKDCEFEFFALCK-UHFFFAOYSA-N 0 1 262.273 0.739 20 5 CCBDMN CCOC(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839728981 615157148 /nfs/dbraw/zinc/15/71/48/615157148.db2.gz UDMAIQPPQOOJEV-HTQZYQBOSA-N 0 1 256.258 0.111 20 5 CCBDMN CCOC(=O)[C@H]1CSCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840255303 615385624 /nfs/dbraw/zinc/38/56/24/615385624.db2.gz BSURPHXTHRPOBP-IWSPIJDZSA-N 0 1 288.325 0.159 20 5 CCBDMN CCO[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000932974657 615489117 /nfs/dbraw/zinc/48/91/17/615489117.db2.gz VZMRWKJLYWNFLF-LBPRGKRZSA-N 0 1 281.312 0.867 20 5 CCBDMN CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)C(=O)OC ZINC000842379988 615847753 /nfs/dbraw/zinc/84/77/53/615847753.db2.gz QPAGZJFNNRWPLR-BGZDPUMWSA-N 0 1 259.258 0.783 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCC2CC2)C1 ZINC000954235318 615867352 /nfs/dbraw/zinc/86/73/52/615867352.db2.gz UHIZCDDHWQBKDR-VXGBXAGGSA-N 0 1 295.339 0.511 20 5 CCBDMN CN1C(=O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000840436576 616134343 /nfs/dbraw/zinc/13/43/43/616134343.db2.gz PTJGHLXILLOQRQ-WZRBSPASSA-N 0 1 289.291 0.651 20 5 CCBDMN CN(C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)C(=O)[O-] ZINC000828258492 616138965 /nfs/dbraw/zinc/13/89/65/616138965.db2.gz FDQIEVKGCNYCIH-JTQLQIEISA-N 0 1 297.315 0.723 20 5 CCBDMN CN1CC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000928573872 616287518 /nfs/dbraw/zinc/28/75/18/616287518.db2.gz RNKLVMGOKLKVJW-GFCCVEGCSA-N 0 1 263.297 0.958 20 5 CCBDMN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC000839734308 616302177 /nfs/dbraw/zinc/30/21/77/616302177.db2.gz RTWAZBUNLZHLDP-JQCXWYLXSA-N 0 1 256.258 0.062 20 5 CCBDMN CN1CC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000928564889 616423629 /nfs/dbraw/zinc/42/36/29/616423629.db2.gz GQJVMZQGANJQCX-JTQLQIEISA-N 0 1 278.312 0.827 20 5 CCBDMN COC(=O)[C@@](C)(CCF)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855907971 616528699 /nfs/dbraw/zinc/52/86/99/616528699.db2.gz WGUUCZJLDLWIKV-BRDIYROLSA-N 0 1 262.237 0.059 20 5 CCBDMN COC(=O)[C@H](CC(C)C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842306163 616590933 /nfs/dbraw/zinc/59/09/33/616590933.db2.gz GLAXTZJEGXMRPG-HLTSFMKQSA-N 0 1 259.258 0.783 20 5 CCBDMN COC(=O)Cc1ccccc1CNCC[N+](=O)[O-] ZINC000899891753 616720536 /nfs/dbraw/zinc/72/05/36/616720536.db2.gz RZDAGBSOYHWJKU-UHFFFAOYSA-N 0 1 252.270 0.768 20 5 CCBDMN COC(=O)N(C)CCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000852570940 616766760 /nfs/dbraw/zinc/76/67/60/616766760.db2.gz QXFLGNWMEWMPPP-UHFFFAOYSA-N 0 1 285.304 0.421 20 5 CCBDMN CNC(=O)[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886251994 616827092 /nfs/dbraw/zinc/82/70/92/616827092.db2.gz QISMAZSSJZHLIS-SNVBAGLBSA-N 0 1 264.285 0.558 20 5 CCBDMN COC[C@@H](O)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837608585 616904590 /nfs/dbraw/zinc/90/45/90/616904590.db2.gz RLXGDVVHWUVTIC-SNVBAGLBSA-N 0 1 271.225 0.351 20 5 CCBDMN Cn1cc([C@H]2CN(CC[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000930619785 625386659 /nfs/dbraw/zinc/38/66/59/625386659.db2.gz HVNGGOLEHHNDDR-CYBMUJFWSA-N 0 1 294.355 0.893 20 5 CCBDMN O=C(N[C@@H]1C[C@@H](NC(=O)C2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000972881501 623292209 /nfs/dbraw/zinc/29/22/09/623292209.db2.gz LWKSTPCJZBUCOP-DDHJBXDOSA-N 0 1 295.339 0.605 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1cc(F)ccc1[N+](=O)[O-] ZINC000236182688 623477660 /nfs/dbraw/zinc/47/76/60/623477660.db2.gz ZJYBXVZXRUCDGD-SECBINFHSA-N 0 1 283.259 0.452 20 5 CCBDMN CC(C)C(=O)N[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001021846473 624845257 /nfs/dbraw/zinc/84/52/57/624845257.db2.gz VWZNGNABZVRNMD-AOOOYVTPSA-N 0 1 295.343 0.721 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2C2OCCO2)n1 ZINC000933903078 624987595 /nfs/dbraw/zinc/98/75/95/624987595.db2.gz GMODHAAFMHRCPB-JTQLQIEISA-N 0 1 282.300 0.629 20 5 CCBDMN O=[N+]([O-])CCNC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000905026105 634788660 /nfs/dbraw/zinc/78/86/60/634788660.db2.gz NCEATPROHPOPAV-AWEZNQCLSA-N 0 1 279.340 0.754 20 5 CCBDMN O=C1C[C@@H](NCC[N+](=O)[O-])CN1CCOc1ccccc1 ZINC000905135112 634806584 /nfs/dbraw/zinc/80/65/84/634806584.db2.gz VEPGVEUYAYYJOQ-GFCCVEGCSA-N 0 1 293.323 0.533 20 5 CCBDMN O=C(NC[C@@H]1C[C@@H](NC(=O)C2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000979737548 630958112 /nfs/dbraw/zinc/95/81/12/630958112.db2.gz FWTNFHBRGJCXTE-HJQYOEGKSA-N 0 1 295.339 0.463 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(CCF)CC1 ZINC000981136871 631237149 /nfs/dbraw/zinc/23/71/49/631237149.db2.gz JOXIPEYLALKOJT-NXEZZACHSA-N 0 1 259.281 0.155 20 5 CCBDMN Cc1nn(C)c(N[C@@H](C)[C@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC000895246568 632038667 /nfs/dbraw/zinc/03/86/67/632038667.db2.gz ASCQITWHWXFVSL-GXSJLCMTSA-N 0 1 296.375 0.683 20 5 CCBDMN COc1ccc(OC)c([C@@H](O)[C@H](C)NCC[N+](=O)[O-])c1 ZINC000905416251 634861468 /nfs/dbraw/zinc/86/14/68/634861468.db2.gz ZMBVAEXHICMTRK-ZANVPECISA-N 0 1 284.312 0.992 20 5 CCBDMN O=C(NCC[C@H](NC1CC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000900810860 634095413 /nfs/dbraw/zinc/09/54/13/634095413.db2.gz UQUYUPSTDOGPNV-HLTSFMKQSA-N 0 1 295.261 0.841 20 5 CCBDMN O=[N+]([O-])CCNCc1cccc(N2CCOCC2)c1 ZINC000905266596 634832026 /nfs/dbraw/zinc/83/20/26/634832026.db2.gz DJIPRKHEUXXQAE-UHFFFAOYSA-N 0 1 265.313 0.890 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149244375 635035481 /nfs/dbraw/zinc/03/54/81/635035481.db2.gz PRHNPIZMDOEJCV-UHFFFAOYSA-N 0 1 282.647 0.691 20 5 CCBDMN O=C(NC1CN(C(=O)c2cccs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991280331 635834477 /nfs/dbraw/zinc/83/44/77/635834477.db2.gz PGUJBUPEJTVGAQ-RKDXNWHRSA-N 0 1 295.320 0.354 20 5 CCBDMN O=C(NC1CN(C(=O)C2(C3CC3)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991285864 635847756 /nfs/dbraw/zinc/84/77/56/635847756.db2.gz HOGDBQCIAJBUIC-GHMZBOCLSA-N 0 1 293.323 0.169 20 5 CCBDMN O=C(NC1CN(C(=O)C2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991293571 635862604 /nfs/dbraw/zinc/86/26/04/635862604.db2.gz BRLOIBQFPHPJKN-GHMZBOCLSA-N 0 1 281.312 0.169 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000839598681 640345528 /nfs/dbraw/zinc/34/55/28/640345528.db2.gz RVUSLSXLTGHXFS-SZEHBUNVSA-N 0 1 281.268 0.066 20 5 CCBDMN NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701460 640352107 /nfs/dbraw/zinc/35/21/07/640352107.db2.gz LJDUVKKIEJMGME-ZYUZMQFOSA-N 0 1 269.301 0.202 20 5 CCBDMN O=C(N[C@H](CCO)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839705658 640354706 /nfs/dbraw/zinc/35/47/06/640354706.db2.gz JNRBQNZRYVBOTF-IJLUTSLNSA-N 0 1 264.281 0.892 20 5 CCBDMN O=C(NN1CCc2ccccc2C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839716650 640356208 /nfs/dbraw/zinc/35/62/08/640356208.db2.gz FFDDURZLKWPLJS-GHMZBOCLSA-N 0 1 275.264 0.381 20 5 CCBDMN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000819058570 641377041 /nfs/dbraw/zinc/37/70/41/641377041.db2.gz MRGHFBZSVRKBHL-SKDRFNHKSA-N 0 1 281.312 0.695 20 5 CCBDMN O=C(NC[C@H]1CC(=O)c2ccccc2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000826056589 641917636 /nfs/dbraw/zinc/91/76/36/641917636.db2.gz HQIHVEKTUXQAQP-FBIMIBRVSA-N 0 1 290.275 0.802 20 5 CCBDMN O=C(OCc1nc2cccnc2[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC000841097830 642803214 /nfs/dbraw/zinc/80/32/14/642803214.db2.gz OKZVYVJBLJYDCS-HTRCEHHLSA-N 0 1 262.225 0.666 20 5 CCBDMN C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC(=O)NC1 ZINC000842423378 642897277 /nfs/dbraw/zinc/89/72/77/642897277.db2.gz UVBRZUNDXCOOAC-GFCCVEGCSA-N 0 1 281.268 0.996 20 5 CCBDMN Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C(N)=O)c1 ZINC000843709905 643101956 /nfs/dbraw/zinc/10/19/56/643101956.db2.gz JGGRLDCEFWTMPI-PSASIEDQSA-N 0 1 263.253 0.698 20 5 CCBDMN C[S@](=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000844513448 643223343 /nfs/dbraw/zinc/22/33/43/643223343.db2.gz JVRAIMXFXVXXAZ-ZEAWXOLYSA-N 0 1 260.315 0.069 20 5 CCBDMN Cn1cc([C@@H]2N(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2(C)C)cn1 ZINC000846155298 643383705 /nfs/dbraw/zinc/38/37/05/643383705.db2.gz SGCKWJZKOPTXNW-MXWKQRLJSA-N 0 1 278.312 0.995 20 5 CCBDMN NC(=O)c1cccc2c1CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000856403163 644417357 /nfs/dbraw/zinc/41/73/57/644417357.db2.gz AGDBJPORZODXQN-VXGBXAGGSA-N 0 1 289.291 0.335 20 5 CCBDMN Cc1ccc(CNC(=O)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000870962122 646062899 /nfs/dbraw/zinc/06/28/99/646062899.db2.gz NOYPEQPXPMFHMR-LBPRGKRZSA-N 0 1 279.296 0.508 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000871198090 646119693 /nfs/dbraw/zinc/11/96/93/646119693.db2.gz RCNZOGIBFXXLPW-ZIQFBCGOSA-N 0 1 268.313 0.804 20 5 CCBDMN Cc1cc(F)cc(C(=O)NC[C@@H]2COCCN2)c1[N+](=O)[O-] ZINC000877039547 646719676 /nfs/dbraw/zinc/71/96/76/646719676.db2.gz NDRGEISQVADZMU-SNVBAGLBSA-N 0 1 297.286 0.761 20 5 CCBDMN Cc1ccc(CNC(=O)[C@@]2(C)CNCCO2)cc1[N+](=O)[O-] ZINC000877240891 646763177 /nfs/dbraw/zinc/76/31/77/646763177.db2.gz JYVROKTUDLSESS-CQSZACIVSA-N 0 1 293.323 0.898 20 5 CCBDMN C[C@@H](O)CN1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885984139 647889813 /nfs/dbraw/zinc/88/98/13/647889813.db2.gz YEYQMPWVLVWWTR-LLVKDONJSA-N 0 1 280.328 0.488 20 5 CCBDMN O=C(NC1(c2ccccc2F)COC1)[C@@H]1CC1[N+](=O)[O-] ZINC000886643733 647994173 /nfs/dbraw/zinc/99/41/73/647994173.db2.gz DPCDWQRGELNOLN-LDYMZIIASA-N 0 1 280.255 0.833 20 5 CCBDMN O=C(NC[C@H]1CC[C@H](C2CC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000887473967 648115773 /nfs/dbraw/zinc/11/57/73/648115773.db2.gz JBAGKMMNQLRJBK-GWOFURMSSA-N 0 1 254.286 0.725 20 5 CCBDMN O=C(N[C@H](CCO)C1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000889117124 648190672 /nfs/dbraw/zinc/19/06/72/648190672.db2.gz ASLLBLKJPFQCFD-GMTAPVOTSA-N 0 1 256.302 0.709 20 5 CCBDMN CN1CC[C@H](Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C1 ZINC001167269943 790766466 /nfs/dbraw/zinc/76/64/66/790766466.db2.gz FKVMYZFAQULIAY-ZETCQYMHSA-N 0 1 272.692 0.998 20 5 CCBDMN Cc1ncccc1C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267194284 791654817 /nfs/dbraw/zinc/65/48/17/791654817.db2.gz MGIBTXHMLZVWSJ-CHWSQXEVSA-N 0 1 292.339 0.603 20 5 CCBDMN O=C(NC12CCN(CC1)C2)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001151416573 800422792 /nfs/dbraw/zinc/42/27/92/800422792.db2.gz WTVHMQFKORNGEO-UHFFFAOYSA-N 0 1 285.691 0.549 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)c1[N+](=O)[O-] ZINC001151838778 800463245 /nfs/dbraw/zinc/46/32/45/800463245.db2.gz MKSPYKIFYUVOMA-SFYZADRCSA-N 0 1 298.299 0.009 20 5 CCBDMN O=[N+]([O-])c1cc[n+]([O-])c(NCc2noc3c2CNCC3)c1 ZINC001155495040 800990377 /nfs/dbraw/zinc/99/03/77/800990377.db2.gz LDDCESAJTDLOOB-UHFFFAOYSA-N 0 1 291.267 0.474 20 5 CCBDMN Cc1nc(-n2c(C)ncc(CN)c2=N)ncc1[N+](=O)[O-] ZINC001156831297 801245792 /nfs/dbraw/zinc/24/57/92/801245792.db2.gz UUKPJDMFSCNZNX-UHFFFAOYSA-N 0 1 275.272 0.126 20 5 CCBDMN CN1CCN(C(=N)Nc2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001157910563 801517092 /nfs/dbraw/zinc/51/70/92/801517092.db2.gz KYMIGCRMYHJDOE-UHFFFAOYSA-N 0 1 299.722 0.632 20 5 CCBDMN Cc1ncc([N+](=O)[O-])c(N2CC(N(C)[C@H]3CCOC3)C2)n1 ZINC001158731805 801694935 /nfs/dbraw/zinc/69/49/35/801694935.db2.gz ZQKYPSYGANBVGY-JTQLQIEISA-N 0 1 293.327 0.603 20 5 CCBDMN O=[N+]([O-])c1ccc2ncc(NC[C@H]3COCCN3)nc2c1 ZINC001159042232 801746895 /nfs/dbraw/zinc/74/68/95/801746895.db2.gz DFQOWKRTVAPNGS-VIFPVBQESA-N 0 1 289.295 0.938 20 5 CCBDMN COc1cccnc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001161934013 802250042 /nfs/dbraw/zinc/25/00/42/802250042.db2.gz SCGBRQUOYCJWLB-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN O=[N+]([O-])c1cnc(NCc2nnc3n2CCCNC3)cn1 ZINC001163021870 802462762 /nfs/dbraw/zinc/46/27/62/802462762.db2.gz FMFXZLZMYSUYQM-UHFFFAOYSA-N 0 1 290.287 0.082 20 5 CCBDMN O=C(NCc1cnn2c1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001263951135 809612103 /nfs/dbraw/zinc/61/21/03/809612103.db2.gz UFWPPUDCQDOYMR-MWLCHTKSSA-N 0 1 264.285 0.501 20 5 CCBDMN CC[N@H+]1CCC[C@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])C1 ZINC001226335767 805221989 /nfs/dbraw/zinc/22/19/89/805221989.db2.gz LRHSMAZHCFABOX-QMMMGPOBSA-N 0 1 268.273 0.954 20 5 CCBDMN O=c1[nH]c(C2CC2)nc(OC2COC2)c1[N+](=O)[O-] ZINC001228605815 805458514 /nfs/dbraw/zinc/45/85/14/805458514.db2.gz MCYUSWLKWAPFOK-UHFFFAOYSA-N 0 1 253.214 0.745 20 5 CCBDMN Cc1nc(O[C@@H]2C=C(C)OC(=O)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375346 805526882 /nfs/dbraw/zinc/52/68/82/805526882.db2.gz BJIIVPNUFPOXQZ-SSDOTTSWSA-N 0 1 281.224 0.997 20 5 CCBDMN O=C1NC(=O)[C@@H](N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)S1 ZINC001254571707 808261719 /nfs/dbraw/zinc/26/17/19/808261719.db2.gz APQWAQNGCRAOJD-KWQFWETISA-N 0 1 293.304 0.961 20 5 CCBDMN Cn1ccnc1C[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC001262235615 809254751 /nfs/dbraw/zinc/25/47/51/809254751.db2.gz JAPCBGXTSYTUFM-NSHDSACASA-N 0 1 252.318 0.951 20 5 CCBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCNC[C@H]1CO ZINC001263179995 809472693 /nfs/dbraw/zinc/47/26/93/809472693.db2.gz BKRPYEDRIHDSCD-NSHDSACASA-N 0 1 265.269 0.001 20 5 CCBDMN CC(C)c1ocnc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936470 815322979 /nfs/dbraw/zinc/32/29/79/815322979.db2.gz JOPDMRDWHUCHMO-MWLCHTKSSA-N 0 1 296.327 0.669 20 5 CCBDMN CC(=O)NC1(CNCc2c([N+](=O)[O-])ncn2C)CCCC1 ZINC001267829832 811822433 /nfs/dbraw/zinc/82/24/33/811822433.db2.gz DDNFKZJEWOLYAO-UHFFFAOYSA-N 0 1 295.343 0.867 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCNC[C@H]1CO ZINC001122208887 816613402 /nfs/dbraw/zinc/61/34/02/816613402.db2.gz RLIPLXVIYIQZTQ-VIFPVBQESA-N 0 1 283.259 0.140 20 5 CCBDMN Cc1oncc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031662612 817228895 /nfs/dbraw/zinc/22/88/95/817228895.db2.gz IYSPATJPFDOHQM-VXGBXAGGSA-N 0 1 294.311 0.196 20 5 CCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)C(F)F ZINC001062989009 820127878 /nfs/dbraw/zinc/12/78/78/820127878.db2.gz KVJVTILLUREFFV-RNFRBKRXSA-N 0 1 291.254 0.072 20 5 CCBDMN Cc1c(-n2nnnc2CN)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001168920381 836052177 /nfs/dbraw/zinc/05/21/77/836052177.db2.gz OSNWTZPNRXDPQY-UHFFFAOYSA-N 0 1 279.216 0.246 20 5 CCBDMN COc1c(F)cc(-n2nnnc2CN)cc1[N+](=O)[O-] ZINC001168920743 836053936 /nfs/dbraw/zinc/05/39/36/836053936.db2.gz XPYXUTISFPBFNA-UHFFFAOYSA-N 0 1 268.208 0.177 20 5 CCBDMN COC[C@@H]1COCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169043821 836113720 /nfs/dbraw/zinc/11/37/20/836113720.db2.gz HXZDSXNUIRKMQB-QJPTWQEYSA-N 0 1 258.318 0.779 20 5 CCBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3ncncn3)CC2)C1 ZINC001169046914 836116911 /nfs/dbraw/zinc/11/69/11/836116911.db2.gz OHIHYJQRNYPERB-NWDGAFQWSA-N 0 1 292.343 0.439 20 5 CCBDMN CCOc1cnc(NC[C@@H]2COCCN2)c([N+](=O)[O-])c1 ZINC001170035624 836754882 /nfs/dbraw/zinc/75/48/82/836754882.db2.gz NIWLNERMJMGUNU-SECBINFHSA-N 0 1 282.300 0.789 20 5 CCBDMN CC(=O)Nc1ccc(NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC001170042590 836769419 /nfs/dbraw/zinc/76/94/19/836769419.db2.gz CADLVEBRNGPVNP-LLVKDONJSA-N 0 1 294.311 0.954 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2COCCN2)c1 ZINC001170047710 836791126 /nfs/dbraw/zinc/79/11/26/836791126.db2.gz QWVDPXFIMVOATB-JTQLQIEISA-N 0 1 295.295 0.782 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2COCCN2)c1 ZINC001170047715 836791772 /nfs/dbraw/zinc/79/17/72/836791772.db2.gz QWVDPXFIMVOATB-SNVBAGLBSA-N 0 1 295.295 0.782 20 5 CCBDMN CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC001131172743 838012175 /nfs/dbraw/zinc/01/21/75/838012175.db2.gz SBJVSSOASWOXIR-VHSXEESVSA-N 0 1 288.267 0.874 20 5 CCBDMN Cc1ncc2c(n1)CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001136158668 839557418 /nfs/dbraw/zinc/55/74/18/839557418.db2.gz HNQMWRFUNGSYNB-CKYFFXLPSA-N 0 1 276.296 0.424 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)c1ccncc1[N+](=O)[O-] ZINC001186747259 844596286 /nfs/dbraw/zinc/59/62/86/844596286.db2.gz HQERTWANEJRYHU-UHFFFAOYSA-N 0 1 251.202 0.715 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(C(=O)OC)C2)c1[N+](=O)[O-] ZINC001180666823 843256177 /nfs/dbraw/zinc/25/61/77/843256177.db2.gz DIORAYMYAWMJCG-UHFFFAOYSA-N 0 1 282.256 0.125 20 5 CCBDMN C[N@H+]1CC[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC001202230996 847876687 /nfs/dbraw/zinc/87/66/87/847876687.db2.gz YJRCNTSUUUQXBM-QMMMGPOBSA-N 0 1 265.273 0.237 20 5 CCBDMN CN1CC[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC001202230996 847876693 /nfs/dbraw/zinc/87/66/93/847876693.db2.gz YJRCNTSUUUQXBM-QMMMGPOBSA-N 0 1 265.273 0.237 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2CCF ZINC001039583752 850217405 /nfs/dbraw/zinc/21/74/05/850217405.db2.gz VCIWJXYOLVDGPI-WRWGMCAJSA-N 0 1 285.319 0.686 20 5 CCBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnnn1C ZINC001117051262 855899348 /nfs/dbraw/zinc/89/93/48/855899348.db2.gz OJBMYENKGMAZQW-UHFFFAOYSA-N 0 1 297.296 0.833 20 5 CCBDMN C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(=O)[O-] ZINC001118951561 856506684 /nfs/dbraw/zinc/50/66/84/856506684.db2.gz GQQWKNWCDXWAFU-ONGXEEELSA-N 0 1 282.300 0.834 20 5 CCBDMN O=C(NCCc1ncc[nH]1)c1n[nH]cc1[N+](=O)[O-] ZINC001324599359 912928516 /nfs/dbraw/zinc/92/85/16/912928516.db2.gz KEMKFXHVDLGFOC-UHFFFAOYSA-N 0 1 250.218 0.014 20 5 CCBDMN O=C(NCCc1[nH]cc[nH+]1)c1[n-]ncc1[N+](=O)[O-] ZINC001324599359 912928522 /nfs/dbraw/zinc/92/85/22/912928522.db2.gz KEMKFXHVDLGFOC-UHFFFAOYSA-N 0 1 250.218 0.014 20 5 CCBDMN CCN(CCNC(=O)C=C(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284598032 905390985 /nfs/dbraw/zinc/39/09/85/905390985.db2.gz FPUKHRRXEGLPLX-GHMZBOCLSA-N 0 1 283.328 0.583 20 5 CCBDMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1=CCCC1 ZINC001298348847 907226227 /nfs/dbraw/zinc/22/62/27/907226227.db2.gz RRKZIXCMIRPFPU-BLDJZWNYSA-N 0 1 293.323 0.551 20 5 CCBDMN CCCC(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001492253453 907804421 /nfs/dbraw/zinc/80/44/21/907804421.db2.gz PSLFNJYYMYFLMT-NXEZZACHSA-N 0 1 271.317 0.416 20 5 CCBDMN Cc1n[nH]c(C2CN(c3nn(C)cc3[N+](=O)[O-])C2)n1 ZINC001307209518 908294996 /nfs/dbraw/zinc/29/49/96/908294996.db2.gz DINDVSZZBZMOAA-UHFFFAOYSA-N 0 1 263.261 0.359 20 5 CCBDMN Cc1nc(C2CN(c3nn(C)cc3[N+](=O)[O-])C2)n[nH]1 ZINC001307209518 908295003 /nfs/dbraw/zinc/29/50/03/908295003.db2.gz DINDVSZZBZMOAA-UHFFFAOYSA-N 0 1 263.261 0.359 20 5 CCBDMN CC(C)=CC(=O)N(C)CCNCc1c([N+](=O)[O-])ncn1C ZINC001317564552 909341010 /nfs/dbraw/zinc/34/10/10/909341010.db2.gz WEGXMLJOJFMTIU-UHFFFAOYSA-N 0 1 295.343 0.843 20 5 CCBDMN Cc1cc(CNCCn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC001319455874 910157048 /nfs/dbraw/zinc/15/70/48/910157048.db2.gz PGAMWRXBOXIYNV-UHFFFAOYSA-N 0 1 250.262 0.613 20 5 CCBDMN O=C(NCCOC[C@@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001323163404 912147635 /nfs/dbraw/zinc/14/76/35/912147635.db2.gz GKNPHUDKQXSMCF-MRVPVSSYSA-N 0 1 284.272 0.101 20 5 CCBDMN COCc1nc(CNc2c([N+](=O)[O-])c(C)nn2C)n[nH]1 ZINC001328057481 914944339 /nfs/dbraw/zinc/94/43/39/914944339.db2.gz XUSGWXNLMXFCJB-UHFFFAOYSA-N 0 1 281.276 0.513 20 5 CCBDMN COCc1nnc(CNc2c([N+](=O)[O-])c(C)nn2C)[nH]1 ZINC001328057481 914944357 /nfs/dbraw/zinc/94/43/57/914944357.db2.gz XUSGWXNLMXFCJB-UHFFFAOYSA-N 0 1 281.276 0.513 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(c2nc[nH]n2)CC1 ZINC001329868073 916239236 /nfs/dbraw/zinc/23/92/36/916239236.db2.gz AZAAUNFLQWONOY-UHFFFAOYSA-N 0 1 291.271 0.456 20 5 CCBDMN O=c1[nH]ccc(N2CC[C@@H](c3nc[nH]n3)C2)c1[N+](=O)[O-] ZINC001331946524 917741585 /nfs/dbraw/zinc/74/15/85/917741585.db2.gz RKZXDUUTCIFFLE-SSDOTTSWSA-N 0 1 276.256 0.807 20 5 CCBDMN C[C@]1(C(=O)[O-])CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001332657920 918359751 /nfs/dbraw/zinc/35/97/51/918359751.db2.gz GZPASTKGNBMUKZ-LBPRGKRZSA-N 0 1 282.300 0.978 20 5 CCBDMN C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])O2)[C@H]1C ZINC001332708735 918396568 /nfs/dbraw/zinc/39/65/68/918396568.db2.gz VLXBEASYEYOZNB-DYOQXNRMSA-N 0 1 298.339 0.740 20 5 CCBDMN Cn1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1=O ZINC001341405012 922467463 /nfs/dbraw/zinc/46/74/63/922467463.db2.gz MINCYGNTPQLKQF-UHFFFAOYSA-N 0 1 263.213 0.269 20 5 CCBDMN COC[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC001343056083 923185772 /nfs/dbraw/zinc/18/57/72/923185772.db2.gz RXWFPKGWDKBUAE-NSHDSACASA-N 0 1 294.311 0.359 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)c1[N+](=O)[O-] ZINC001343973447 923518514 /nfs/dbraw/zinc/51/85/14/923518514.db2.gz FDYPPLNZLVGBIK-JIGDXULJSA-N 0 1 280.284 0.191 20 5 CCBDMN CC1(C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCN1 ZINC001345120018 923798975 /nfs/dbraw/zinc/79/89/75/923798975.db2.gz LYBKDSMJDKRJJF-UHFFFAOYSA-N 0 1 253.262 0.142 20 5 CCBDMN CC/C=C(/C)C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001348174780 924610668 /nfs/dbraw/zinc/61/06/68/924610668.db2.gz FLAUZAJTOSHPFW-QJJZASRKSA-N 0 1 295.339 0.679 20 5 CCBDMN Cc1nn(C)c(C(=O)NC[C@@H]2CCCCN2C)c1[N+](=O)[O-] ZINC001353890962 925956404 /nfs/dbraw/zinc/95/64/04/925956404.db2.gz BBSQJQJGUQAREH-JTQLQIEISA-N 0 1 295.343 0.851 20 5 CCBDMN C/C=C(/C)C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001357710552 926588551 /nfs/dbraw/zinc/58/85/51/926588551.db2.gz SAVDWKVFTHKAMV-VHHSETJTSA-N 0 1 281.312 0.406 20 5 CCBDMN CC(C)c1nncn1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001444427159 929868862 /nfs/dbraw/zinc/86/88/62/929868862.db2.gz MGDOCGJKOOEPPZ-RKDXNWHRSA-N 0 1 267.289 0.183 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000062133879 948952001 /nfs/dbraw/zinc/95/20/01/948952001.db2.gz KMJHRWCCFFIERI-SECBINFHSA-N 0 1 268.273 0.506 20 5 CCBDMN C[C@H](C(=O)[O-])[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC001588597445 959393073 /nfs/dbraw/zinc/39/30/73/959393073.db2.gz QEHQXNMTPAPJTR-MRVPVSSYSA-N 0 1 268.273 0.729 20 5 CCBDMN C[N@@H+](CCCC(=O)[O-])CCn1ccc([N+](=O)[O-])n1 ZINC001604161664 972575894 /nfs/dbraw/zinc/57/58/94/972575894.db2.gz LZLQYGCPHQVGGN-UHFFFAOYSA-N 0 1 256.262 0.588 20 5 CCBDMN CC1(C(=O)[O-])CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001603308285 972593650 /nfs/dbraw/zinc/59/36/50/972593650.db2.gz GBOOIIMCXXRCBL-UHFFFAOYSA-N 0 1 268.273 0.936 20 5 CCBDMN C[N@@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1)CC(=O)[O-] ZINC001598492823 992324953 /nfs/dbraw/zinc/32/49/53/992324953.db2.gz LLUBTUVYCZLEPS-UHFFFAOYSA-N 0 1 281.268 0.341 20 5 CCBDMN C[N@H+]1CC[C@](O)(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001598585910 993382583 /nfs/dbraw/zinc/38/25/83/993382583.db2.gz LCNVLOUJJIJVGW-LBPRGKRZSA-N 0 1 296.283 0.167 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCc2nc[nH]c2C1 ZINC000599949633 361839859 /nfs/dbraw/zinc/83/98/59/361839859.db2.gz QSAUDGWFBKWWEN-UHFFFAOYSA-N 0 1 275.268 0.855 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CC[C@@H](O)C1 ZINC000600536644 362006256 /nfs/dbraw/zinc/00/62/56/362006256.db2.gz UPHSICFDQIGHMZ-GFCCVEGCSA-N 0 1 293.323 0.700 20 5 CCBDMN O=C(NCCN1CC[C@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000600806705 362063815 /nfs/dbraw/zinc/06/38/15/362063815.db2.gz DTCJXNOMGOYFJL-JTQLQIEISA-N 0 1 279.296 0.391 20 5 CCBDMN Cc1c(C(=O)NCCN2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000600807579 362064345 /nfs/dbraw/zinc/06/43/45/362064345.db2.gz ITHBKENVLPSXTK-NSHDSACASA-N 0 1 293.323 0.700 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1COC[C@@H]1O ZINC000601139889 362155983 /nfs/dbraw/zinc/15/59/83/362155983.db2.gz OLJIZKXPZMGSMZ-NEPJUHHUSA-N 0 1 252.270 0.753 20 5 CCBDMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000107212293 282263981 /nfs/dbraw/zinc/26/39/81/282263981.db2.gz ODFVBBXGLNAROH-JTQLQIEISA-N 0 1 299.352 0.919 20 5 CCBDMN CN(Cc1cnn(C)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304287403 530018297 /nfs/dbraw/zinc/01/82/97/530018297.db2.gz FXSKOTSREWADOO-LBPRGKRZSA-N 0 1 294.315 0.018 20 5 CCBDMN NC1(c2noc(Cn3ccc([N+](=O)[O-])n3)n2)CCC1 ZINC000261807468 137020871 /nfs/dbraw/zinc/02/08/71/137020871.db2.gz HJVFSGSFMDPKOK-UHFFFAOYSA-N 0 1 264.245 0.561 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H](C)N1 ZINC000262189835 137030409 /nfs/dbraw/zinc/03/04/09/137030409.db2.gz LYDMZPPPOALVTE-IUCAKERBSA-N 0 1 278.312 0.999 20 5 CCBDMN CCC[C@](C)(CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344461705 137195328 /nfs/dbraw/zinc/19/53/28/137195328.db2.gz RFYFJPCXEKHUOC-SNVBAGLBSA-N 0 1 256.262 0.599 20 5 CCBDMN COc1cccc(C(=O)NCc2c[nH]nn2)c1[N+](=O)[O-] ZINC000618226464 365945036 /nfs/dbraw/zinc/94/50/36/365945036.db2.gz GBYPNEMNRYBCPE-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN O=C(N[C@H](CO)[C@H]1CCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000344849282 137217034 /nfs/dbraw/zinc/21/70/34/137217034.db2.gz IBQRGTVEXNVKEZ-VXGBXAGGSA-N 0 1 296.279 0.570 20 5 CCBDMN C[C@]1(CO)C[C@H](O)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000602909965 362881973 /nfs/dbraw/zinc/88/19/73/362881973.db2.gz WLSALBNODCZWRT-QWHCGFSZSA-N 0 1 266.297 0.912 20 5 CCBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nn[nH]n2)c1 ZINC000346358229 137281218 /nfs/dbraw/zinc/28/12/18/137281218.db2.gz ZZJQJTPEVLTJAX-UHFFFAOYSA-N 0 1 264.201 0.369 20 5 CCBDMN NC(=O)C1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000346941133 137312402 /nfs/dbraw/zinc/31/24/02/137312402.db2.gz QXAUDTMLCGMRGW-UHFFFAOYSA-N 0 1 289.251 0.219 20 5 CCBDMN CN(C)CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000046406901 348356916 /nfs/dbraw/zinc/35/69/16/348356916.db2.gz CGZMBPRUKSENNP-UHFFFAOYSA-N 0 1 293.327 0.200 20 5 CCBDMN C[C@H]1CNCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000054370142 348554212 /nfs/dbraw/zinc/55/42/12/348554212.db2.gz CKZKVFAKSLFSOG-JTQLQIEISA-N 0 1 263.297 0.958 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CC(=O)NC(C)(C)C)c1[N+](=O)[O-] ZINC000064354135 348699592 /nfs/dbraw/zinc/69/95/92/348699592.db2.gz XNLFFURFFPILKY-UHFFFAOYSA-N 0 1 297.315 0.613 20 5 CCBDMN Cc1cc(NC[C@H]2CN(C)CCN2C)ncc1[N+](=O)[O-] ZINC000081275312 349254309 /nfs/dbraw/zinc/25/43/09/349254309.db2.gz VMPICUQXXJUVEQ-NSHDSACASA-N 0 1 279.344 0.956 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000089407841 349384368 /nfs/dbraw/zinc/38/43/68/349384368.db2.gz PNONXSNINMQGDB-HTRCEHHLSA-N 0 1 268.273 0.469 20 5 CCBDMN O=C(NCC1(O)CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000120797036 350006062 /nfs/dbraw/zinc/00/60/62/350006062.db2.gz BLLGOVMRASHCLG-UHFFFAOYSA-N 0 1 268.273 0.743 20 5 CCBDMN C[C@H](C[S@@](C)=O)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000273487435 192171862 /nfs/dbraw/zinc/17/18/62/192171862.db2.gz MCVUZYWIBMFOMM-QOLSBQFWSA-N 0 1 286.309 0.797 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000271312394 191068264 /nfs/dbraw/zinc/06/82/64/191068264.db2.gz SRPYBVYZSRWKMV-UHFFFAOYSA-N 0 1 264.245 0.322 20 5 CCBDMN CCOC(=O)C[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154993079 350606062 /nfs/dbraw/zinc/60/60/62/350606062.db2.gz BTGNFPFSJIXWKL-LURJTMIESA-N 0 1 270.245 0.389 20 5 CCBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])CN1CCOCC1 ZINC000162808713 350753809 /nfs/dbraw/zinc/75/38/09/350753809.db2.gz RDTBRSGZBFSZNR-VIFPVBQESA-N 0 1 297.315 0.016 20 5 CCBDMN CN1CCC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000164438980 350779255 /nfs/dbraw/zinc/77/92/55/350779255.db2.gz BQJDVNRCELVPLS-JTQLQIEISA-N 0 1 267.289 0.002 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(NCCCc2nc(=O)[nH][nH]2)n1 ZINC000178243218 351224713 /nfs/dbraw/zinc/22/47/13/351224713.db2.gz YAKFTTXWLKDMPC-UHFFFAOYSA-N 0 1 278.272 0.754 20 5 CCBDMN C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000188388652 351591794 /nfs/dbraw/zinc/59/17/94/351591794.db2.gz QLNYDKCADVEKSM-MRVPVSSYSA-N 0 1 294.311 0.908 20 5 CCBDMN C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000188388652 351591799 /nfs/dbraw/zinc/59/17/99/351591799.db2.gz QLNYDKCADVEKSM-MRVPVSSYSA-N 0 1 294.311 0.908 20 5 CCBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1COCCN1 ZINC000236398745 352194355 /nfs/dbraw/zinc/19/43/55/352194355.db2.gz SHQHHUNGWVZVGX-LLVKDONJSA-N 0 1 279.296 0.242 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1ccc([N+](=O)[O-])s1 ZINC000236403017 352194449 /nfs/dbraw/zinc/19/44/49/352194449.db2.gz QRQSTOYIJNTUNH-SSDOTTSWSA-N 0 1 271.298 0.375 20 5 CCBDMN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000249087469 352476278 /nfs/dbraw/zinc/47/62/78/352476278.db2.gz NJRIYMKWRHIGMX-CMPLNLGQSA-N 0 1 296.327 0.922 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000270352313 352923985 /nfs/dbraw/zinc/92/39/85/352923985.db2.gz GPLDMDGMNIVLCK-QMMMGPOBSA-N 0 1 282.300 0.725 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC)CCO)c1[N+](=O)[O-] ZINC000270510835 352942176 /nfs/dbraw/zinc/94/21/76/352942176.db2.gz XGPZPWCOFMEUBD-UHFFFAOYSA-N 0 1 256.262 0.335 20 5 CCBDMN C[NH+](C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cn1 ZINC000604510084 363199554 /nfs/dbraw/zinc/19/95/54/363199554.db2.gz SMCCDVDAWKGRJW-UHFFFAOYSA-N 0 1 292.299 0.933 20 5 CCBDMN CC(C)(C)OC(=O)NCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270698964 352969682 /nfs/dbraw/zinc/96/96/82/352969682.db2.gz YRHJPPAGRYDTMC-UHFFFAOYSA-N 0 1 299.287 0.572 20 5 CCBDMN CC(C)(C)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000272699959 353086257 /nfs/dbraw/zinc/08/62/57/353086257.db2.gz TYWCNFZBAVIIGP-SNVBAGLBSA-N 0 1 295.295 0.930 20 5 CCBDMN C[C@@]1(O)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272702471 353086673 /nfs/dbraw/zinc/08/66/73/353086673.db2.gz UXTPOUCMHZGJNE-GFCCVEGCSA-N 0 1 266.253 0.897 20 5 CCBDMN COC(=O)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000272705676 353086739 /nfs/dbraw/zinc/08/67/39/353086739.db2.gz VZUVLHNWEOZWFH-LLVKDONJSA-N 0 1 294.263 0.982 20 5 CCBDMN CC[C@@](NC(=O)c1n[nH]cc1[N+](=O)[O-])(C(N)=O)C(C)C ZINC000272834746 353099056 /nfs/dbraw/zinc/09/90/56/353099056.db2.gz HNCWPQVDAZFDFD-NSHDSACASA-N 0 1 283.288 0.338 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOC[C@@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000274379267 353124314 /nfs/dbraw/zinc/12/43/14/353124314.db2.gz GBAWDIVXWBGIDY-CBAPKCEASA-N 0 1 298.299 0.238 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@](C)(C(N)=O)C2)c1[N+](=O)[O-] ZINC000280101781 353338161 /nfs/dbraw/zinc/33/81/61/353338161.db2.gz PJTYAPHOJVCPCF-LBPRGKRZSA-N 0 1 295.299 0.218 20 5 CCBDMN C[C@]1(C(N)=O)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000280119169 353339484 /nfs/dbraw/zinc/33/94/84/353339484.db2.gz QOEYHZUYWYLQGS-ZDUSSCGKSA-N 0 1 293.279 0.638 20 5 CCBDMN C[C@H]1CCNC(=O)[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000282211162 353403571 /nfs/dbraw/zinc/40/35/71/353403571.db2.gz PLDYOCYLRQJPMY-CPCISQLKSA-N 0 1 293.279 0.555 20 5 CCBDMN CCN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O ZINC000282506454 353430223 /nfs/dbraw/zinc/43/02/23/353430223.db2.gz XBPXLYCXVSAYKH-SNVBAGLBSA-N 0 1 267.289 0.002 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000283719110 353525298 /nfs/dbraw/zinc/52/52/98/353525298.db2.gz UZFOPGBCTDJVMC-ZETCQYMHSA-N 0 1 270.289 0.894 20 5 CCBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@](O)(C(N)=O)C1 ZINC000286129962 353563712 /nfs/dbraw/zinc/56/37/12/353563712.db2.gz JYKYCYNBZRPSHH-YGRLFVJLSA-N 0 1 293.323 0.968 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@H](C)O)c1[N+](=O)[O-] ZINC000291053287 353765538 /nfs/dbraw/zinc/76/55/38/353765538.db2.gz NRJXQLATANLKMC-ZETCQYMHSA-N 0 1 270.289 0.894 20 5 CCBDMN C[C@]1(F)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000295519988 353900841 /nfs/dbraw/zinc/90/08/41/353900841.db2.gz UPRJESNJZFWHQR-RYUDHWBXSA-N 0 1 286.307 0.976 20 5 CCBDMN CN1CCO[C@@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])C[C@H]21 ZINC000332240553 283014878 /nfs/dbraw/zinc/01/48/78/283014878.db2.gz RPEFCVYJDRWMSY-ZIAGYGMSSA-N 0 1 293.323 0.815 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC(=O)N1C ZINC000330410167 354347810 /nfs/dbraw/zinc/34/78/10/354347810.db2.gz TWPSBGQSGVCCBJ-MRVPVSSYSA-N 0 1 293.279 0.603 20 5 CCBDMN CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330455829 354366104 /nfs/dbraw/zinc/36/61/04/354366104.db2.gz NIWFKRGKLKPOKU-CMPLNLGQSA-N 0 1 282.296 0.882 20 5 CCBDMN CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330455829 354366105 /nfs/dbraw/zinc/36/61/05/354366105.db2.gz NIWFKRGKLKPOKU-CMPLNLGQSA-N 0 1 282.296 0.882 20 5 CCBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCN(C)CC1 ZINC000330469809 354371370 /nfs/dbraw/zinc/37/13/70/354371370.db2.gz ZPSHMZZIQSDOMJ-SNVBAGLBSA-N 0 1 295.343 0.289 20 5 CCBDMN COCCN1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC1=O ZINC000338947096 355458248 /nfs/dbraw/zinc/45/82/48/355458248.db2.gz DHOOSFWPPAXDLT-UHFFFAOYSA-N 0 1 295.295 0.549 20 5 CCBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000339059139 355478613 /nfs/dbraw/zinc/47/86/13/355478613.db2.gz NPDAFIPHCXOWQW-NSHDSACASA-N 0 1 265.269 0.621 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(CC(F)(F)F)CC1 ZINC000363291603 138088838 /nfs/dbraw/zinc/08/88/38/138088838.db2.gz PXXGTLRNBDATEL-RKDXNWHRSA-N 0 1 295.261 0.748 20 5 CCBDMN COC1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000609619428 363510143 /nfs/dbraw/zinc/51/01/43/363510143.db2.gz PFUOOYFJVAMGCG-UHFFFAOYSA-N 0 1 276.252 0.942 20 5 CCBDMN O=C(NCc1cnc2n1CCCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000377141119 357543181 /nfs/dbraw/zinc/54/31/81/357543181.db2.gz OKYCOVYIYPUYOX-UHFFFAOYSA-N 0 1 290.283 0.781 20 5 CCBDMN C[C@@H]1C[N@@H+](CCO)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000449786926 236051419 /nfs/dbraw/zinc/05/14/19/236051419.db2.gz RDUWELBIVQLQDI-LLVKDONJSA-N 0 1 295.339 0.799 20 5 CCBDMN O=[N+]([O-])c1cccnc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405274783 357823311 /nfs/dbraw/zinc/82/33/11/357823311.db2.gz QSJUYOIJCBSUEU-VHSXEESVSA-N 0 1 264.285 0.245 20 5 CCBDMN Cc1nc(N2CCN(CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000450951849 236124301 /nfs/dbraw/zinc/12/43/01/236124301.db2.gz GPYOSZXSCAUIKF-SNVBAGLBSA-N 0 1 280.328 0.801 20 5 CCBDMN O=[N+]([O-])c1ccc(NCCN2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000450796695 236113168 /nfs/dbraw/zinc/11/31/68/236113168.db2.gz WCKNCAWQSAYAKH-TXEJJXNPSA-N 0 1 278.312 0.687 20 5 CCBDMN CC1(C)CCC[C@@]1(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000294476266 199055335 /nfs/dbraw/zinc/05/53/35/199055335.db2.gz RFCABRBWIRBMJE-GFCCVEGCSA-N 0 1 282.300 0.989 20 5 CCBDMN C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])cn1C)c1nn[nH]n1 ZINC000582276047 359128581 /nfs/dbraw/zinc/12/85/81/359128581.db2.gz JDKDXSBQTGLXEE-SSDOTTSWSA-N 0 1 293.287 0.322 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](CCO)C2)c1[N+](=O)[O-] ZINC000610927618 363632427 /nfs/dbraw/zinc/63/24/27/363632427.db2.gz LJJJNLRLQATKPC-VIFPVBQESA-N 0 1 282.300 0.861 20 5 CCBDMN CN1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)C[C@@H]21 ZINC000585781931 359273256 /nfs/dbraw/zinc/27/32/56/359273256.db2.gz DQHONGNMMOQGRI-NWDGAFQWSA-N 0 1 278.312 0.899 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCCOC[C@H]2C)c1[N+](=O)[O-] ZINC000610951239 363637236 /nfs/dbraw/zinc/63/72/36/363637236.db2.gz ZHXQOEFUGJSJCX-SSDOTTSWSA-N 0 1 268.273 0.877 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCc3c[nH]nc3C2)c1[N+](=O)[O-] ZINC000611011550 363649566 /nfs/dbraw/zinc/64/95/66/363649566.db2.gz CFJVGJLJAMBDKE-UHFFFAOYSA-N 0 1 290.283 0.802 20 5 CCBDMN CCN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H]1C ZINC000611084802 363657167 /nfs/dbraw/zinc/65/71/67/363657167.db2.gz VAOZJKHHBSUHRQ-SECBINFHSA-N 0 1 293.327 0.619 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1n[nH]c(=O)o1 ZINC000590546977 359482436 /nfs/dbraw/zinc/48/24/36/359482436.db2.gz UVJNBUFTYSXABQ-UHFFFAOYSA-N 0 1 293.239 0.659 20 5 CCBDMN [NH3+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000592294647 359813269 /nfs/dbraw/zinc/81/32/69/359813269.db2.gz WWICRZDWUAMEAV-ZETCQYMHSA-N 0 1 266.257 0.116 20 5 CCBDMN CN1CCC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000594282923 360268037 /nfs/dbraw/zinc/26/80/37/360268037.db2.gz CCHZYFUPEZMPNK-MRVPVSSYSA-N 0 1 279.300 0.226 20 5 CCBDMN CC[C@@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761701 360378310 /nfs/dbraw/zinc/37/83/10/360378310.db2.gz HNYYGGKBWUDFNT-ZETCQYMHSA-N 0 1 275.286 0.039 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1(O)CCC1 ZINC000594763104 360378318 /nfs/dbraw/zinc/37/83/18/360378318.db2.gz VRMGGUVQJOEGDR-UHFFFAOYSA-N 0 1 287.297 0.183 20 5 CCBDMN CO[C@@H](C)[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594775745 360380692 /nfs/dbraw/zinc/38/06/92/360380692.db2.gz HSILJEUGNCLSEI-SFYZADRCSA-N 0 1 289.313 0.692 20 5 CCBDMN C[C@H](CN1CCN(C)CC1)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596123694 360803832 /nfs/dbraw/zinc/80/38/32/360803832.db2.gz OENONAOAKNQJAD-SNVBAGLBSA-N 0 1 294.359 0.042 20 5 CCBDMN CC1(O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000179221678 189178489 /nfs/dbraw/zinc/17/84/89/189178489.db2.gz QJWANWFYYCBBHW-UHFFFAOYSA-N 0 1 281.312 0.603 20 5 CCBDMN Cc1nc(CC(=O)NCCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000597303620 361056913 /nfs/dbraw/zinc/05/69/13/361056913.db2.gz IROLMCQAFJVVGD-UHFFFAOYSA-N 0 1 289.295 0.923 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)Cc2c[nH]cn2)c1[N+](=O)[O-] ZINC000597864272 361272514 /nfs/dbraw/zinc/27/25/14/361272514.db2.gz OJUARLNGOJLJQB-UHFFFAOYSA-N 0 1 278.272 0.876 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3COC[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000598233390 361360009 /nfs/dbraw/zinc/36/00/09/361360009.db2.gz VNGNAPCWYYSYMQ-PRHODGIISA-N 0 1 280.284 0.735 20 5 CCBDMN Cc1nc(NCCCc2nc(=O)[nH][nH]2)ccc1[N+](=O)[O-] ZINC000301632653 201106240 /nfs/dbraw/zinc/10/62/40/201106240.db2.gz DDNBKIVREPJGKU-UHFFFAOYSA-N 0 1 278.272 0.754 20 5 CCBDMN CCc1nn(C)c(NCCN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599200109 361608682 /nfs/dbraw/zinc/60/86/82/361608682.db2.gz WVIREEOQFLQFRM-VIFPVBQESA-N 0 1 283.332 0.369 20 5 CCBDMN C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000599206771 361612465 /nfs/dbraw/zinc/61/24/65/361612465.db2.gz JIQBLDPZNUFENJ-LURJTMIESA-N 0 1 274.302 0.405 20 5 CCBDMN CC(C)[C@H](C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599239425 361618198 /nfs/dbraw/zinc/61/81/98/361618198.db2.gz CMHIMGZSZKQNGE-MRVPVSSYSA-N 0 1 290.345 0.899 20 5 CCBDMN C[C@H](O)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000276067548 193204285 /nfs/dbraw/zinc/20/42/85/193204285.db2.gz UNAHJDKSNUYESK-IUCAKERBSA-N 0 1 298.295 0.504 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000264375094 190106082 /nfs/dbraw/zinc/10/60/82/190106082.db2.gz VRZREHJJZYVWAA-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN NC(=O)[C@@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cn1 ZINC000264586775 190121019 /nfs/dbraw/zinc/12/10/19/190121019.db2.gz KVOINMHVOFMRLX-NSHDSACASA-N 0 1 293.327 0.742 20 5 CCBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](O)(C(N)=O)C1 ZINC000284888929 388785325 /nfs/dbraw/zinc/78/53/25/388785325.db2.gz FUVAELHHZQQZBH-ZANVPECISA-N 0 1 279.296 0.578 20 5 CCBDMN C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187021067 388865600 /nfs/dbraw/zinc/86/56/00/388865600.db2.gz HPJNEAPKYANDIW-SECBINFHSA-N 0 1 280.284 0.519 20 5 CCBDMN C[N@H+]1CCC[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187021067 388865603 /nfs/dbraw/zinc/86/56/03/388865603.db2.gz HPJNEAPKYANDIW-SECBINFHSA-N 0 1 280.284 0.519 20 5 CCBDMN CNS(=O)(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000187192286 388871093 /nfs/dbraw/zinc/87/10/93/388871093.db2.gz IBGKTRZDEQVNGA-SECBINFHSA-N 0 1 287.341 0.795 20 5 CCBDMN C[C@H](O)CN(CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000289775065 388891009 /nfs/dbraw/zinc/89/10/09/388891009.db2.gz LLNSEFZTBAMPBS-JTQLQIEISA-N 0 1 254.286 0.770 20 5 CCBDMN CC(C)N(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1COC1 ZINC000295415381 389007322 /nfs/dbraw/zinc/00/73/22/389007322.db2.gz NBHCIXUWHWDTEZ-LBPRGKRZSA-N 0 1 284.316 0.261 20 5 CCBDMN C[NH+]1CCC(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193506407 389071315 /nfs/dbraw/zinc/07/13/15/389071315.db2.gz QWPUNMFTXQYINC-UHFFFAOYSA-N 0 1 294.311 0.767 20 5 CCBDMN COCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000340964113 389171254 /nfs/dbraw/zinc/17/12/54/389171254.db2.gz VMZSQRYYWKZNAJ-SECBINFHSA-N 0 1 282.300 0.373 20 5 CCBDMN O=C(Nc1n[nH]c(-c2ccco2)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000134537165 389247409 /nfs/dbraw/zinc/24/74/09/389247409.db2.gz NOUFPZGVAWPXHH-UHFFFAOYSA-N 0 1 289.211 0.948 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000153543476 389303101 /nfs/dbraw/zinc/30/31/01/389303101.db2.gz HIHVCZHREUPHKA-IUCAKERBSA-N 0 1 281.316 0.309 20 5 CCBDMN C[C@@H](Cn1cncn1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269287817 389413039 /nfs/dbraw/zinc/41/30/39/389413039.db2.gz OMDXDSUYRUZZCP-QMMMGPOBSA-N 0 1 291.267 0.710 20 5 CCBDMN O=C(NCCCc1nc(=O)[nH][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000174583703 389524141 /nfs/dbraw/zinc/52/41/41/389524141.db2.gz GOAAVLWMCSSHOF-UHFFFAOYSA-N 0 1 291.267 0.369 20 5 CCBDMN O=C(CCc1nc[nH]n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000176838598 389565436 /nfs/dbraw/zinc/56/54/36/389565436.db2.gz WUXJOTAFLBTOBW-UHFFFAOYSA-N 0 1 275.268 0.962 20 5 CCBDMN CN(c1ncc([N+](=O)[O-])s1)C1CCN(CCO)CC1 ZINC000443515771 389881404 /nfs/dbraw/zinc/88/14/04/389881404.db2.gz DMZJCWCVMGWBRC-UHFFFAOYSA-N 0 1 286.357 0.944 20 5 CCBDMN C[S@](=O)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC000438126057 390001488 /nfs/dbraw/zinc/00/14/88/390001488.db2.gz XSXUZHBTCGAICP-IBGZPJMESA-N 0 1 286.313 0.349 20 5 CCBDMN CCc1nc(CNc2c(C(N)=O)cccc2[N+](=O)[O-])n[nH]1 ZINC000420640937 390019663 /nfs/dbraw/zinc/01/96/63/390019663.db2.gz SEFABOMSRLXRMB-UHFFFAOYSA-N 0 1 290.283 0.986 20 5 CCBDMN CN1CCO[C@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@H]21 ZINC000579093050 390140138 /nfs/dbraw/zinc/14/01/38/390140138.db2.gz WPOIGPPUVPWVFO-SFYZADRCSA-N 0 1 270.314 0.571 20 5 CCBDMN C[C@H]1OCC[C@@]1(C)NCc1c([N+](=O)[O-])ncn1C ZINC000494251791 390160729 /nfs/dbraw/zinc/16/07/29/390160729.db2.gz STZCLADTPAHHHO-LDYMZIIASA-N 0 1 254.290 0.985 20 5 CCBDMN CCc1nc([C@H](C)NC(=O)c2c[nH]nc2[N+](=O)[O-])n[nH]1 ZINC000554873980 390444623 /nfs/dbraw/zinc/44/46/23/390444623.db2.gz LCZLPEBKQWYOFU-YFKPBYRVSA-N 0 1 279.260 0.489 20 5 CCBDMN C[C@H]1CC[N@H+](CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000566719270 390641049 /nfs/dbraw/zinc/64/10/49/390641049.db2.gz KLFQRZWRULVFSH-VIFPVBQESA-N 0 1 294.311 0.767 20 5 CCBDMN C[C@H]1CC[N@@H+](CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000566719270 390641051 /nfs/dbraw/zinc/64/10/51/390641051.db2.gz KLFQRZWRULVFSH-VIFPVBQESA-N 0 1 294.311 0.767 20 5 CCBDMN Cc1nc(N2CCN(C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000275392747 135105894 /nfs/dbraw/zinc/10/58/94/135105894.db2.gz AZAXFVNFSNAHPE-SNVBAGLBSA-N 0 1 280.328 0.801 20 5 CCBDMN C[S@](=O)CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356555233 144013925 /nfs/dbraw/zinc/01/39/25/144013925.db2.gz WLSVESQDJOOJMJ-IBGZPJMESA-N 0 1 286.309 0.799 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[S@]1=O ZINC000356596243 144017362 /nfs/dbraw/zinc/01/73/62/144017362.db2.gz NDHFWBAKYZAZHP-FFVOIRBGSA-N 0 1 298.320 0.893 20 5 CCBDMN C[C@@H]1CCN(C)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357898512 144131454 /nfs/dbraw/zinc/13/14/54/144131454.db2.gz OMSYRWMVLVDJAZ-SECBINFHSA-N 0 1 281.316 0.495 20 5 CCBDMN C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN1CC(C)(C)O ZINC000548692994 286058362 /nfs/dbraw/zinc/05/83/62/286058362.db2.gz JCWROWCUHISPNN-SNVBAGLBSA-N 0 1 297.359 0.610 20 5 CCBDMN CNc1nccc(C(=O)N[C@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC000553210699 286185069 /nfs/dbraw/zinc/18/50/69/286185069.db2.gz MQVMSDWOJNBVRL-ZCFIWIBFSA-N 0 1 291.271 0.063 20 5 CCBDMN COCC1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC000285693303 196368758 /nfs/dbraw/zinc/36/87/58/196368758.db2.gz BAKVRAWYWKEYKM-UHFFFAOYSA-N 0 1 254.246 0.617 20 5 CCBDMN CC(C)N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000026712538 262365708 /nfs/dbraw/zinc/36/57/08/262365708.db2.gz UKWHPWIKTSNEBP-UHFFFAOYSA-N 0 1 253.306 0.859 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CCN([C@@H]3CCC[C@H]3O)CC2)nc1 ZINC000363915143 275041106 /nfs/dbraw/zinc/04/11/06/275041106.db2.gz XVMNCQKEXVYYHW-VXGBXAGGSA-N 0 1 293.327 0.420 20 5 CCBDMN CO[C@@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1(C)C ZINC000343891820 277311881 /nfs/dbraw/zinc/31/18/81/277311881.db2.gz YEMSFFAEKXGUAW-JGVFFNPUSA-N 0 1 268.273 0.861 20 5 CCBDMN Cc1nc(N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000515852023 279091672 /nfs/dbraw/zinc/09/16/72/279091672.db2.gz MCGNRVVXYBILRK-JTQLQIEISA-N 0 1 294.311 0.751 20 5 CCBDMN Cc1n[nH]c(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000359392994 280190277 /nfs/dbraw/zinc/19/02/77/280190277.db2.gz IYQSOLMAAZMMPX-ZETCQYMHSA-N 0 1 290.283 0.637 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000339204065 280369178 /nfs/dbraw/zinc/36/91/78/280369178.db2.gz YDAJQZVLAINFFS-PHIMTYICSA-N 0 1 282.296 0.618 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000339204065 280369179 /nfs/dbraw/zinc/36/91/79/280369179.db2.gz YDAJQZVLAINFFS-PHIMTYICSA-N 0 1 282.296 0.618 20 5 CCBDMN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H]1C[NH3+] ZINC000575749088 335111746 /nfs/dbraw/zinc/11/17/46/335111746.db2.gz UFDUQNGTNGPIJA-DTWKUNHWSA-N 0 1 294.311 0.752 20 5 CCBDMN CCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000575867530 334229289 /nfs/dbraw/zinc/22/92/89/334229289.db2.gz XETZDQYQLUVJKC-UHFFFAOYSA-N 0 1 268.273 0.425 20 5 CCBDMN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577372771 335344256 /nfs/dbraw/zinc/34/42/56/335344256.db2.gz PUZWIOSDDIEXCI-SFYZADRCSA-N 0 1 288.329 0.394 20 5 CCBDMN CO[C@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1(C)C ZINC000343891822 536826998 /nfs/dbraw/zinc/82/69/98/536826998.db2.gz YEMSFFAEKXGUAW-YUMQZZPRSA-N 0 1 268.273 0.861 20 5 CCBDMN COC[C@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000263114713 536862184 /nfs/dbraw/zinc/86/21/84/536862184.db2.gz FOGXFJKNWCYWKW-VIFPVBQESA-N 0 1 282.300 0.097 20 5 CCBDMN O=C(N[C@H](CO)C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780741135 581243423 /nfs/dbraw/zinc/24/34/23/581243423.db2.gz LCAXRYZHQVKYQD-LLVKDONJSA-N 0 1 266.253 0.801 20 5 CCBDMN CCOC(CCNC(=O)c1n[nH]cc1[N+](=O)[O-])OCC ZINC000787549978 581472580 /nfs/dbraw/zinc/47/25/80/581472580.db2.gz ZTLOTHXLRKIBIN-UHFFFAOYSA-N 0 1 286.288 0.837 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(n3cncn3)C2)c1[N+](=O)[O-] ZINC000732830850 581850976 /nfs/dbraw/zinc/85/09/76/581850976.db2.gz VVKJTPJMFABFGJ-UHFFFAOYSA-N 0 1 291.271 0.169 20 5 CCBDMN CN(Cc1nnc[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593821 582083699 /nfs/dbraw/zinc/08/36/99/582083699.db2.gz ZPHXTNGASWXYPO-NSHDSACASA-N 0 1 277.284 0.878 20 5 CCBDMN NC(=O)N[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776599227 582084387 /nfs/dbraw/zinc/08/43/87/582084387.db2.gz YSRDTXOTRZJLSF-PWSUYJOCSA-N 0 1 294.311 0.371 20 5 CCBDMN C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C(=O)[O-] ZINC000828450033 601515913 /nfs/dbraw/zinc/51/59/13/601515913.db2.gz MXEKTQWOWCMYDC-WPRPVWTQSA-N 0 1 268.273 0.444 20 5 CCBDMN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCCN1CCC1 ZINC000826497567 607734431 /nfs/dbraw/zinc/73/44/31/607734431.db2.gz LWAGFAAHIMHISH-UHFFFAOYSA-N 0 1 289.299 0.893 20 5 CCBDMN O=C([O-])N[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834189501 606030089 /nfs/dbraw/zinc/03/00/89/606030089.db2.gz MOYYKUBUJVVYLY-CMPLNLGQSA-N 0 1 295.295 0.970 20 5 CCBDMN COc1cccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000840670142 617300742 /nfs/dbraw/zinc/30/07/42/617300742.db2.gz BDXSYHYGTHJAEJ-RKDXNWHRSA-N 0 1 252.226 0.799 20 5 CCBDMN C/C=C(\C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976479866 613173552 /nfs/dbraw/zinc/17/35/52/613173552.db2.gz BYSRMWZHXYWTFU-GYRBMBFMSA-N 0 1 293.323 0.191 20 5 CCBDMN CC(C)NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000856239258 613933359 /nfs/dbraw/zinc/93/33/59/613933359.db2.gz RQPLZPXVBMRSEU-GMTAPVOTSA-N 0 1 283.328 0.415 20 5 CCBDMN CC(C)[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839716318 614166739 /nfs/dbraw/zinc/16/67/39/614166739.db2.gz BVFYBKIESOQXGL-ZDCRXTMVSA-N 0 1 256.302 0.971 20 5 CCBDMN CCCCOC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670136 614444144 /nfs/dbraw/zinc/44/41/44/614444144.db2.gz AVHZLJFZJHDSLQ-DJLDLDEBSA-N 0 1 259.258 0.927 20 5 CCBDMN CC1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000974116514 614490225 /nfs/dbraw/zinc/49/02/25/614490225.db2.gz QPFNEANYHUTCMV-UTINFBMNSA-N 0 1 281.312 0.215 20 5 CCBDMN CCC[C@@]1(C)C(=O)NCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840430092 615031027 /nfs/dbraw/zinc/03/10/27/615031027.db2.gz KIJKNTJHZNLXPP-LNLATYFQSA-N 0 1 269.301 0.169 20 5 CCBDMN CCOC(=O)CN(CC(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839716727 615188617 /nfs/dbraw/zinc/18/86/17/615188617.db2.gz GGPWVRVBSCDZHN-NXEZZACHSA-N 0 1 272.301 0.699 20 5 CCBDMN CCOC(=O)[C@H](CC)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840437557 615350318 /nfs/dbraw/zinc/35/03/18/615350318.db2.gz WRTJMPNHYCXQGU-OUAUKWLOSA-N 0 1 284.312 0.984 20 5 CCBDMN CCOc1nnc(COC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000840671625 615527229 /nfs/dbraw/zinc/52/72/29/615527229.db2.gz XWHQZSOQNJPBPU-PHDIDXHHSA-N 0 1 273.270 0.645 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2CCC2)C1 ZINC000954240540 615867407 /nfs/dbraw/zinc/86/74/07/615867407.db2.gz REDPKTVOXBVFRU-GHMZBOCLSA-N 0 1 281.312 0.121 20 5 CCBDMN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839683710 615998215 /nfs/dbraw/zinc/99/82/15/615998215.db2.gz PJDUKYWMPFNUAW-GWOFURMSSA-N 0 1 283.328 0.415 20 5 CCBDMN CN(Cc1cccnc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000886168190 616082641 /nfs/dbraw/zinc/08/26/41/616082641.db2.gz LATBAKMOZMAXFL-UHFFFAOYSA-N 0 1 281.312 0.963 20 5 CCBDMN CN(C)c1ncc(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000839720988 616093004 /nfs/dbraw/zinc/09/30/04/616093004.db2.gz PPGJLQUJIZTICE-NXEZZACHSA-N 0 1 279.300 0.166 20 5 CCBDMN CN1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000894879138 616371102 /nfs/dbraw/zinc/37/11/02/616371102.db2.gz PXYMXQLUISKUIE-PHIMTYICSA-N 0 1 290.323 0.977 20 5 CCBDMN COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840425017 616415807 /nfs/dbraw/zinc/41/58/07/616415807.db2.gz FVGFMYTXSCTQGB-JLIMGVALSA-N 0 1 270.285 0.452 20 5 CCBDMN COC(=O)C1C[C@@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)C1 ZINC000876090970 616467770 /nfs/dbraw/zinc/46/77/70/616467770.db2.gz UIQPPESUCXCPAB-YJFSRANCSA-N 0 1 284.312 0.840 20 5 CCBDMN COC(=O)Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000862584299 616718241 /nfs/dbraw/zinc/71/82/41/616718241.db2.gz FQAPXSUEADCVIE-VXGBXAGGSA-N 0 1 292.291 0.684 20 5 CCBDMN CO[C@H]1CC(OC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](OC)C1 ZINC000842334345 617094040 /nfs/dbraw/zinc/09/40/40/617094040.db2.gz WBMXIXXZDWZION-YJFSRANCSA-N 0 1 273.285 0.777 20 5 CCBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccco1 ZINC000973811507 625332905 /nfs/dbraw/zinc/33/29/05/625332905.db2.gz LOMSGUJIZRWJMF-UTINFBMNSA-N 0 1 293.279 0.322 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000892318886 622848341 /nfs/dbraw/zinc/84/83/41/622848341.db2.gz IKJQIXINBRPLPP-PWSUYJOCSA-N 0 1 295.343 0.364 20 5 CCBDMN O=[N+]([O-])CCN[C@H]1CCN(c2ncccc2F)C1 ZINC000905160602 634803948 /nfs/dbraw/zinc/80/39/48/634803948.db2.gz PEMOKJOEOSUDCZ-VIFPVBQESA-N 0 1 254.265 0.666 20 5 CCBDMN Cn1ccc(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840672068 631677463 /nfs/dbraw/zinc/67/74/63/631677463.db2.gz CMSIOCNDCTZYOK-RKDXNWHRSA-N 0 1 252.226 0.416 20 5 CCBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC000840673697 631716862 /nfs/dbraw/zinc/71/68/62/631716862.db2.gz YUQCWFREIFCNRE-KVQBGUIXSA-N 0 1 284.190 0.262 20 5 CCBDMN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1CN(C)CCN1C ZINC000895248174 632031775 /nfs/dbraw/zinc/03/17/75/632031775.db2.gz JINKEWCKNFBWLV-KOLCDFICSA-N 0 1 280.332 0.431 20 5 CCBDMN O=[N+]([O-])CCNC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000905395424 634863020 /nfs/dbraw/zinc/86/30/20/634863020.db2.gz LSBRPJNXDPDQTO-CYBMUJFWSA-N 0 1 280.328 0.149 20 5 CCBDMN O=C(N[C@@H]1CCCN(CCF)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000898504948 633613440 /nfs/dbraw/zinc/61/34/40/633613440.db2.gz VEOKJARKXGNIMC-OPRDCNLKSA-N 0 1 259.281 0.202 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC(N2CCCC2)C1 ZINC000898614605 633635482 /nfs/dbraw/zinc/63/54/82/633635482.db2.gz WXCKUCRTEPOLNL-UHFFFAOYSA-N 0 1 279.300 0.098 20 5 CCBDMN Cc1coc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000991287933 635850468 /nfs/dbraw/zinc/85/04/68/635850468.db2.gz MNEHMNKKBNNHRC-NXEZZACHSA-N 0 1 293.279 0.194 20 5 CCBDMN CC(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991292002 635856993 /nfs/dbraw/zinc/85/69/93/635856993.db2.gz BBUWNZMWIGNOKX-RKDXNWHRSA-N 0 1 269.301 0.025 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912922279 636704220 /nfs/dbraw/zinc/70/42/20/636704220.db2.gz OYDVVKCJYIQJRN-JTQLQIEISA-N 0 1 278.312 0.854 20 5 CCBDMN O=[N+]([O-])c1cnn(CN2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000172934237 637198453 /nfs/dbraw/zinc/19/84/53/637198453.db2.gz KIRGOGGVROQCAL-LBPRGKRZSA-N 0 1 295.343 0.403 20 5 CCBDMN O=C(CC1CC1)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001795620 639340421 /nfs/dbraw/zinc/34/04/21/639340421.db2.gz IPYGSNLNYYOVEC-GHMZBOCLSA-N 0 1 281.312 0.026 20 5 CCBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839619600 640346172 /nfs/dbraw/zinc/34/61/72/640346172.db2.gz ZECDAJZIRGJKMG-VXGBXAGGSA-N 0 1 291.307 0.588 20 5 CCBDMN O=C(Nc1cnn(CC2CC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839693051 640350079 /nfs/dbraw/zinc/35/00/79/640350079.db2.gz AMDSHAASGXRLAK-NXEZZACHSA-N 0 1 250.258 0.897 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](N2CCCC2=O)C1 ZINC000839678878 640353599 /nfs/dbraw/zinc/35/35/99/640353599.db2.gz AGPRAWRLPIMNRV-GMTAPVOTSA-N 0 1 281.312 0.265 20 5 CCBDMN O=C(NCC[C@@H]1COc2ccccc2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000839706651 640355023 /nfs/dbraw/zinc/35/50/23/640355023.db2.gz YUELIBYEGLSDFG-GMTAPVOTSA-N 0 1 292.291 0.998 20 5 CCBDMN C[C@](O)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000839715120 640356834 /nfs/dbraw/zinc/35/68/34/640356834.db2.gz SHRPHFAIDAXZFS-XAHCXIQSSA-N 0 1 256.180 0.081 20 5 CCBDMN O=C(NCc1ncnn1-c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839744873 640360878 /nfs/dbraw/zinc/36/08/78/640360878.db2.gz HNNWPRWCFMTZAB-GHMZBOCLSA-N 0 1 287.279 0.549 20 5 CCBDMN C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000839747627 640361035 /nfs/dbraw/zinc/36/10/35/640361035.db2.gz CUDZXPYOQJDXOD-IWSPIJDZSA-N 0 1 287.316 0.681 20 5 CCBDMN C[C@H]1[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CC(=O)N1C ZINC000806073678 640458518 /nfs/dbraw/zinc/45/85/18/640458518.db2.gz HSJRFOCHJUZFFP-POYBYMJQSA-N 0 1 267.241 0.699 20 5 CCBDMN O=C(NCC1CC1)[C@H]1CSCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840301314 641048070 /nfs/dbraw/zinc/04/80/70/641048070.db2.gz FJMVWQHCTAETPX-OPRDCNLKSA-N 0 1 299.352 0.079 20 5 CCBDMN O=C(Nc1c[nH]nn1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000816319098 641160039 /nfs/dbraw/zinc/16/00/39/641160039.db2.gz MHKWGLDBDDHFKY-UHFFFAOYSA-N 0 1 291.223 0.736 20 5 CCBDMN O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840394976 641427301 /nfs/dbraw/zinc/42/73/01/641427301.db2.gz GTRGZNHHMMQAPZ-NXEZZACHSA-N 0 1 296.304 0.620 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1[C@H]1CCCCC1=O ZINC000840402911 641495744 /nfs/dbraw/zinc/49/57/44/641495744.db2.gz GMNXPYVYWSZIRX-DDHJBXDOSA-N 0 1 296.323 0.638 20 5 CCBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1COCCO1 ZINC000837424438 642743748 /nfs/dbraw/zinc/74/37/48/642743748.db2.gz REGLYQIBYGVUIN-LLVKDONJSA-N 0 1 283.236 0.759 20 5 CCBDMN O=c1c(F)cc([N+](=O)[O-])cn1CCN1CCCC1 ZINC000842637209 642919647 /nfs/dbraw/zinc/91/96/47/642919647.db2.gz KUZVVRQKKJJHAZ-UHFFFAOYSA-N 0 1 255.249 0.991 20 5 CCBDMN C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000847192211 643493285 /nfs/dbraw/zinc/49/32/85/643493285.db2.gz KCXWFSQPHLFOFA-DJLDLDEBSA-N 0 1 272.301 0.746 20 5 CCBDMN Cn1c(Cl)ncc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000848542594 643651157 /nfs/dbraw/zinc/65/11/57/643651157.db2.gz LTENPBXUMHFHNT-UHFFFAOYSA-N 0 1 284.707 0.968 20 5 CCBDMN O=C1OCCN1[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000852434105 643962964 /nfs/dbraw/zinc/96/29/64/643962964.db2.gz WWRHYZHCLQXWBZ-JTQLQIEISA-N 0 1 295.299 0.318 20 5 CCBDMN O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000858866645 644655986 /nfs/dbraw/zinc/65/59/86/644655986.db2.gz DIDNHCMNGOFNFE-JTQLQIEISA-N 0 1 296.283 0.982 20 5 CCBDMN O=[N+]([O-])c1ccc(NCCN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000858866645 644655988 /nfs/dbraw/zinc/65/59/88/644655988.db2.gz DIDNHCMNGOFNFE-JTQLQIEISA-N 0 1 296.283 0.982 20 5 CCBDMN O=C1OC[C@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000860166314 644778401 /nfs/dbraw/zinc/77/84/01/644778401.db2.gz YCMBEPLDMISIQD-RAIGVLPGSA-N 0 1 292.291 0.733 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000863059051 645058060 /nfs/dbraw/zinc/05/80/60/645058060.db2.gz RUQJMHLKZQNWMT-FXAVMZLMSA-N 0 1 272.326 0.164 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000871198089 646119737 /nfs/dbraw/zinc/11/97/37/646119737.db2.gz RCNZOGIBFXXLPW-OOCWMUITSA-N 0 1 268.313 0.804 20 5 CCBDMN O=C(OC[C@H]1CCCCNC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000873611510 646389470 /nfs/dbraw/zinc/38/94/70/646389470.db2.gz RCUHNHFYYFOSAP-IWSPIJDZSA-N 0 1 256.258 0.111 20 5 CCBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CC=C[C@H]2CO)cc1 ZINC000880489706 647211098 /nfs/dbraw/zinc/21/10/98/647211098.db2.gz XFYFLGLIQTZFQG-STQMWFEESA-N 0 1 264.281 0.861 20 5 CCBDMN C[C@@H](O)[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000929154899 648708502 /nfs/dbraw/zinc/70/85/02/648708502.db2.gz ULGAUPSJYFQPHS-RISCZKNCSA-N 0 1 295.339 0.459 20 5 CCBDMN C[C@]1([C@@H]2CCCN(CC[N+](=O)[O-])C2)COC(=O)N1 ZINC000932016208 649043023 /nfs/dbraw/zinc/04/30/23/649043023.db2.gz JVGCFPDFCBFQQP-MWLCHTKSSA-N 0 1 257.290 0.474 20 5 CCBDMN CN1CCO[C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]21 ZINC001164671301 719371162 /nfs/dbraw/zinc/37/11/62/719371162.db2.gz WFAHFCWMETWHCQ-BDAKNGLRSA-N 0 1 299.718 0.557 20 5 CCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC001164674319 719409631 /nfs/dbraw/zinc/40/96/31/719409631.db2.gz WGMOGIVTIAADIG-RYUDHWBXSA-N 0 1 294.311 0.056 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCNC[C@@H]1CO ZINC001122208821 799170353 /nfs/dbraw/zinc/17/03/53/799170353.db2.gz QFFNKAOWRTVJJO-SECBINFHSA-N 0 1 299.714 0.655 20 5 CCBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)c1ccn[nH]1 ZINC001123891966 799496588 /nfs/dbraw/zinc/49/65/88/799496588.db2.gz VOMUSDHUZYHHIL-UHFFFAOYSA-N 0 1 295.324 0.899 20 5 CCBDMN C[C@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001124083727 799554486 /nfs/dbraw/zinc/55/44/86/799554486.db2.gz VMWNPHWQJCQMMN-HBNTYKKESA-N 0 1 283.328 0.416 20 5 CCBDMN COc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1OC ZINC000839458092 800025043 /nfs/dbraw/zinc/02/50/43/800025043.db2.gz ZGXSKXKVKQUKJI-NXEZZACHSA-N 0 1 280.280 0.985 20 5 CCBDMN O=C(N[C@H]1C[NH+]2CCC1CC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001153742659 800659180 /nfs/dbraw/zinc/65/91/80/800659180.db2.gz JUNSEDQTLRRIDV-JTQLQIEISA-N 0 1 292.295 0.519 20 5 CCBDMN O=[N+]([O-])c1cc(NC[C@@H]2COCCN2)nc2[nH]ccc21 ZINC001159043224 801748470 /nfs/dbraw/zinc/74/84/70/801748470.db2.gz AIVMTDTVONESHK-MRVPVSSYSA-N 0 1 277.284 0.871 20 5 CCBDMN COc1nc(-n2c(C)nnc2CN)ccc1[N+](=O)[O-] ZINC001163346613 802540147 /nfs/dbraw/zinc/54/01/47/802540147.db2.gz QCBLVIYDVPRYGQ-UHFFFAOYSA-N 0 1 264.245 0.346 20 5 CCBDMN O=[N+]([O-])C[C@@H](OCc1nn[nH]n1)c1ccc2c(c1)OCO2 ZINC001223026980 804947359 /nfs/dbraw/zinc/94/73/59/804947359.db2.gz KWSCOTHJPGZDKA-SNVBAGLBSA-N 0 1 293.239 0.463 20 5 CCBDMN O=[N+]([O-])c1cnc(O[C@H]2CN3CCC2CC3)nc1 ZINC001226731223 805272959 /nfs/dbraw/zinc/27/29/59/805272959.db2.gz MJKUSUBCOFUODB-JTQLQIEISA-N 0 1 250.258 0.858 20 5 CCBDMN CC[C@H](O)C(=O)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228241473 805424226 /nfs/dbraw/zinc/42/42/26/805424226.db2.gz CISYHMMMZMIUBH-VIFPVBQESA-N 0 1 293.235 0.920 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H](C)CON)cc1O ZINC001228813588 805482832 /nfs/dbraw/zinc/48/28/32/805482832.db2.gz DGZXDTLQPIWSSZ-ZCFIWIBFSA-N 0 1 286.240 0.745 20 5 CCBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])n1nnnc1CN ZINC001254539339 808258368 /nfs/dbraw/zinc/25/83/68/808258368.db2.gz HFPNBJOHZIDEOR-QMMMGPOBSA-N 0 1 262.273 0.844 20 5 CCBDMN O=[N+]([O-])c1nc[nH]c1-c1nnc([C@H]2CCOC2)o1 ZINC001255587654 808410764 /nfs/dbraw/zinc/41/07/64/808410764.db2.gz ULXGYLKSJXBOKB-YFKPBYRVSA-N 0 1 251.202 0.872 20 5 CCBDMN O=C(NC[C@@H](CO)CC1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001261361766 808961101 /nfs/dbraw/zinc/96/11/01/808961101.db2.gz DDIIZTBPHSFEPD-QJPTWQEYSA-N 0 1 286.328 0.193 20 5 CCBDMN COc1ccc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC001261832381 809102389 /nfs/dbraw/zinc/10/23/89/809102389.db2.gz LYOPYHIXZVYMGC-UHFFFAOYSA-N 0 1 291.267 0.694 20 5 CCBDMN Cc1cc(-n2c(C)ncc(CN)c2=N)ncc1[N+](=O)[O-] ZINC001167672939 811146131 /nfs/dbraw/zinc/14/61/31/811146131.db2.gz BNHCKJJJPGHFIO-UHFFFAOYSA-N 0 1 274.284 0.731 20 5 CCBDMN O=[N+]([O-])C[C@@H](OCc1nn[nH]n1)c1cccnc1 ZINC001223028252 812077303 /nfs/dbraw/zinc/07/73/03/812077303.db2.gz ZMADMLYFTSWHJK-MRVPVSSYSA-N 0 1 250.218 0.129 20 5 CCBDMN O=C(NC1CN(Cc2nccs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292333 815961325 /nfs/dbraw/zinc/96/13/25/815961325.db2.gz DDNNHRYUAOZPIV-RKDXNWHRSA-N 0 1 282.325 0.109 20 5 CCBDMN Cc1ncsc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292431 815961348 /nfs/dbraw/zinc/96/13/48/815961348.db2.gz IKSIIOHFZRUOOG-NXEZZACHSA-N 0 1 296.352 0.417 20 5 CCBDMN O=C(NC1CN(CC(F)(F)C(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030293176 815962713 /nfs/dbraw/zinc/96/27/13/815962713.db2.gz GXVWRJGFZDLRSQ-RNFRBKRXSA-N 0 1 299.224 0.352 20 5 CCBDMN C[C@@H](COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CN1CCOCC1 ZINC001123219368 816886852 /nfs/dbraw/zinc/88/68/52/816886852.db2.gz HTDZDIUZICGSFV-GMTAPVOTSA-N 0 1 272.301 0.163 20 5 CCBDMN O=C(Nc1nn[nH]n1)c1cc(F)ccc1[N+](=O)[O-] ZINC000709824013 819811634 /nfs/dbraw/zinc/81/16/34/819811634.db2.gz BYKJUZXKVSEUPG-UHFFFAOYSA-N 0 1 252.165 0.499 20 5 CCBDMN NC(=O)N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030362 836106852 /nfs/dbraw/zinc/10/68/52/836106852.db2.gz ZBPMCPIHCPMOQG-ZJUUUORDSA-N 0 1 256.306 0.128 20 5 CCBDMN O=[N+]([O-])c1c2[nH]cnc2ccc1NC[C@@H]1COCCN1 ZINC001170045849 836784663 /nfs/dbraw/zinc/78/46/63/836784663.db2.gz VUMWMGPQPSDKDT-MRVPVSSYSA-N 0 1 277.284 0.871 20 5 CCBDMN CC(C)COCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001112835804 836936543 /nfs/dbraw/zinc/93/65/43/836936543.db2.gz PRJFLTINVVRPRW-CHWSQXEVSA-N 0 1 299.371 0.468 20 5 CCBDMN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC001130971954 837962365 /nfs/dbraw/zinc/96/23/65/837962365.db2.gz KUZNHBZYWKTHPH-UHFFFAOYSA-N 0 1 266.192 0.524 20 5 CCBDMN Cc1cc(C(=O)N(C)c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001131169119 838012376 /nfs/dbraw/zinc/01/23/76/838012376.db2.gz AUGYDQOZOTUCAV-UHFFFAOYSA-N 0 1 262.229 0.693 20 5 CCBDMN CC[C@](N)(CO)Nc1cccc2ncc([N+](=O)[O-])n21 ZINC001170866173 839464595 /nfs/dbraw/zinc/46/45/95/839464595.db2.gz OSJXZWYVEPHXOB-LLVKDONJSA-N 0 1 265.273 0.712 20 5 CCBDMN CC[C@@](N)(CO)Nc1ncc(OC)cc1[N+](=O)[O-] ZINC001159744506 839564545 /nfs/dbraw/zinc/56/45/45/839564545.db2.gz XKHKIBAYXSZREE-JTQLQIEISA-N 0 1 256.262 0.468 20 5 CCBDMN COC(=O)C1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCCC1 ZINC001136329599 839590131 /nfs/dbraw/zinc/59/01/31/839590131.db2.gz IMWAIXJNQYLKER-UHFFFAOYSA-N 0 1 296.283 0.924 20 5 CCBDMN O=c1c(F)cc([N+](=O)[O-])cn1CCc1c[nH]nn1 ZINC001189591565 845169471 /nfs/dbraw/zinc/16/94/71/845169471.db2.gz DIWKSUZQLICZEJ-UHFFFAOYSA-N 0 1 253.193 0.256 20 5 CCBDMN O=c1c(F)cc([N+](=O)[O-])cn1CCc1cnn[nH]1 ZINC001189591565 845169472 /nfs/dbraw/zinc/16/94/72/845169472.db2.gz DIWKSUZQLICZEJ-UHFFFAOYSA-N 0 1 253.193 0.256 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC001116835178 855843423 /nfs/dbraw/zinc/84/34/23/855843423.db2.gz ACZPFVFRNQDEHR-GFCCVEGCSA-N 0 1 280.284 0.613 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CO)c1[N+](=O)[O-] ZINC001324889036 913082867 /nfs/dbraw/zinc/08/28/67/913082867.db2.gz AYKJAURUWPXRCM-MRVPVSSYSA-N 0 1 268.273 0.613 20 5 CCBDMN O=C(NCc1nnc(C2CC2)o1)c1n[nH]cc1[N+](=O)[O-] ZINC001326834570 914216910 /nfs/dbraw/zinc/21/69/10/914216910.db2.gz BHNOEEDZCRJBES-UHFFFAOYSA-N 0 1 278.228 0.508 20 5 CCBDMN CCC(CC)C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491121873 903375151 /nfs/dbraw/zinc/37/51/51/903375151.db2.gz MCOOLUACIUZZLA-NXEZZACHSA-N 0 1 271.317 0.320 20 5 CCBDMN CC(C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])=C1CCCC1 ZINC001491218513 903448573 /nfs/dbraw/zinc/44/85/73/903448573.db2.gz KDZBAYVANFUWKT-VXGBXAGGSA-N 0 1 295.339 0.775 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CC[C@@H](c3nc[nH]n3)C2)nc1 ZINC001331946176 904032267 /nfs/dbraw/zinc/03/22/67/904032267.db2.gz PYAMBGCBCSHFSL-SSDOTTSWSA-N 0 1 261.245 0.497 20 5 CCBDMN CCN(CCCNC(=O)CC1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001283684541 904961056 /nfs/dbraw/zinc/96/10/56/904961056.db2.gz NYRAIYPVARIWBJ-VXGBXAGGSA-N 0 1 297.355 0.807 20 5 CCBDMN Cn1cc(COC(=O)CCc2nc[nH]n2)c([N+](=O)[O-])n1 ZINC001336960575 921129490 /nfs/dbraw/zinc/12/94/90/921129490.db2.gz HTTGKCVHZFMQPD-UHFFFAOYSA-N 0 1 280.244 0.122 20 5 CCBDMN CNC(=O)Cn1cc(Nc2ncc([N+](=O)[O-])c(C)n2)cn1 ZINC001306937375 906161167 /nfs/dbraw/zinc/16/11/67/906161167.db2.gz METXSGXBKUMVIR-UHFFFAOYSA-N 0 1 291.271 0.379 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1nn[nH]n1 ZINC001292871893 906358580 /nfs/dbraw/zinc/35/85/80/906358580.db2.gz HRGSTWCGWOKUIJ-UHFFFAOYSA-N 0 1 276.256 0.655 20 5 CCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCC1CC1 ZINC001296065249 906857435 /nfs/dbraw/zinc/85/74/35/906857435.db2.gz QPMXMVHDLHBWKK-GHMZBOCLSA-N 0 1 283.328 0.416 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](O)c1cnc[nH]1 ZINC001307207835 906863705 /nfs/dbraw/zinc/86/37/05/906863705.db2.gz BWMZMXKBQWRJPA-SECBINFHSA-N 0 1 280.288 0.988 20 5 CCBDMN CCN1CC[C@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001303018567 908059362 /nfs/dbraw/zinc/05/93/62/908059362.db2.gz DDHRLJRKAZXCTM-LURJTMIESA-N 0 1 287.707 0.795 20 5 CCBDMN CC[N@H+]1CCN(c2nnc(C[N+](=O)[O-])n2C)C[C@@H]1C ZINC001339663293 921792513 /nfs/dbraw/zinc/79/25/13/921792513.db2.gz ADGPBIDTYLJJKI-VIFPVBQESA-N 0 1 268.321 0.122 20 5 CCBDMN CCN1CCN(c2nnc(C[N+](=O)[O-])n2C)C[C@@H]1C ZINC001339663293 921792526 /nfs/dbraw/zinc/79/25/26/921792526.db2.gz ADGPBIDTYLJJKI-VIFPVBQESA-N 0 1 268.321 0.122 20 5 CCBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(c2nc[nH]n2)CC1 ZINC001329820959 916203017 /nfs/dbraw/zinc/20/30/17/916203017.db2.gz SZKOHAICQRJBFE-UHFFFAOYSA-N 0 1 291.271 0.456 20 5 CCBDMN Cc1nc(N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC001332520102 918245270 /nfs/dbraw/zinc/24/52/70/918245270.db2.gz OUEXYKOXXUTDLZ-VIFPVBQESA-N 0 1 295.299 0.146 20 5 CCBDMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001332657919 918360359 /nfs/dbraw/zinc/36/03/59/918360359.db2.gz GZPASTKGNBMUKZ-GFCCVEGCSA-N 0 1 282.300 0.978 20 5 CCBDMN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])O2 ZINC001332708740 918397253 /nfs/dbraw/zinc/39/72/53/918397253.db2.gz VLXBEASYEYOZNB-SVALUAMDSA-N 0 1 298.339 0.740 20 5 CCBDMN COC[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC001342294315 922899402 /nfs/dbraw/zinc/89/94/02/922899402.db2.gz IRVKKFLBDSXJKS-LBPRGKRZSA-N 0 1 293.323 0.964 20 5 CCBDMN COC[C@H]1CNCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001343182081 923228752 /nfs/dbraw/zinc/22/87/52/923228752.db2.gz UKYBTDIOYXVIEA-SNVBAGLBSA-N 0 1 297.286 0.794 20 5 CCBDMN CCc1ncc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])[nH]1 ZINC001472888471 926186712 /nfs/dbraw/zinc/18/67/12/926186712.db2.gz KMESKRJNPNXUFZ-UHFFFAOYSA-N 0 1 290.283 0.986 20 5 CCBDMN Cn1c(C[N+](=O)[O-])nnc1N1CCN(C)C(C)(C)C1 ZINC001355419434 926257077 /nfs/dbraw/zinc/25/70/77/926257077.db2.gz GQSWGBRDJBCXII-UHFFFAOYSA-N 0 1 268.321 0.122 20 5 CCBDMN COC(=O)CN(CCC(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355569031 926285648 /nfs/dbraw/zinc/28/56/48/926285648.db2.gz ZDNODBZGCWGUAK-RNFRBKRXSA-N 0 1 298.217 0.606 20 5 CCBDMN CC[N@@H+](CC(=O)[O-])Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000038018185 957345827 /nfs/dbraw/zinc/34/58/27/957345827.db2.gz SOQQSRMPYYGOFJ-UHFFFAOYSA-N 0 1 281.268 0.600 20 5 CCBDMN COCC[N@@H+](C)CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166754233 959320273 /nfs/dbraw/zinc/32/02/73/959320273.db2.gz UAUCPQYXUDKCAM-UHFFFAOYSA-N 0 1 298.299 0.678 20 5 CCBDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001603367931 972873683 /nfs/dbraw/zinc/87/36/83/972873683.db2.gz LDXINHHKVMMYEQ-IUCAKERBSA-N 0 1 282.300 0.871 20 5 CCBDMN Cc1ccc(CN(CCO)CCO)cc1[N+](=O)[O-] ZINC000600179406 361883645 /nfs/dbraw/zinc/88/36/45/361883645.db2.gz PFPIIZLONWMQOA-UHFFFAOYSA-N 0 1 254.286 0.690 20 5 CCBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1COC[C@H]1O ZINC000601291881 362205514 /nfs/dbraw/zinc/20/55/14/362205514.db2.gz PATCRYNHEMPLFZ-GMXVVIOVSA-N 0 1 264.281 0.931 20 5 CCBDMN CC[C@@H](CO)N1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602487909 362641940 /nfs/dbraw/zinc/64/19/40/362641940.db2.gz WWUPKRXKXIBWKZ-LBPRGKRZSA-N 0 1 297.359 0.217 20 5 CCBDMN C[C@@H](O)[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602605687 362710225 /nfs/dbraw/zinc/71/02/25/362710225.db2.gz JWRMUUHOGWUNML-RKDXNWHRSA-N 0 1 254.290 0.531 20 5 CCBDMN Cn1cc(CN[C@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])n1 ZINC000602622122 362718276 /nfs/dbraw/zinc/71/82/76/362718276.db2.gz JWGMMKHALHTYQG-IUCAKERBSA-N 0 1 254.290 0.577 20 5 CCBDMN CN1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000602714661 362766428 /nfs/dbraw/zinc/76/64/28/362766428.db2.gz IQJMAYIJQSMMTC-CYBMUJFWSA-N 0 1 265.313 0.703 20 5 CCBDMN COCCN1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602764723 362788833 /nfs/dbraw/zinc/78/88/33/362788833.db2.gz ZVNHWHZMTMBXTP-UHFFFAOYSA-N 0 1 297.359 0.364 20 5 CCBDMN COCC1(O)CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602798130 362806879 /nfs/dbraw/zinc/80/68/79/362806879.db2.gz XYLRTAPMISCKOP-UHFFFAOYSA-N 0 1 298.343 0.573 20 5 CCBDMN COC[C@@H](N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000262486249 137044897 /nfs/dbraw/zinc/04/48/97/137044897.db2.gz HDXJKVRXVZAOOG-LLVKDONJSA-N 0 1 281.312 0.920 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCN(C)CC1 ZINC000313858145 137078189 /nfs/dbraw/zinc/07/81/89/137078189.db2.gz VHRLFSZMARAYHW-UHFFFAOYSA-N 0 1 296.375 0.779 20 5 CCBDMN O=C(NCc1ccc(O)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000343172381 137118576 /nfs/dbraw/zinc/11/85/76/137118576.db2.gz ACHUZVDUBIYYIU-UHFFFAOYSA-N 0 1 262.225 0.954 20 5 CCBDMN CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000003154078 347977484 /nfs/dbraw/zinc/97/74/84/347977484.db2.gz HGDIQCZKJBXKIK-ZDUSSCGKSA-N 0 1 295.339 0.582 20 5 CCBDMN COC(=O)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000032990636 348142534 /nfs/dbraw/zinc/14/25/34/348142534.db2.gz JWRHXIKRHNUACB-UHFFFAOYSA-N 0 1 292.251 0.764 20 5 CCBDMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCNCC1 ZINC000037995986 348222664 /nfs/dbraw/zinc/22/26/64/348222664.db2.gz WQLRPYSJNPRJGN-UHFFFAOYSA-N 0 1 253.233 0.779 20 5 CCBDMN Cc1nc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)o1 ZINC000345108328 137233593 /nfs/dbraw/zinc/23/35/93/137233593.db2.gz WFZSUNSSRHZTHM-UHFFFAOYSA-N 0 1 279.256 0.895 20 5 CCBDMN CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000042002920 348264068 /nfs/dbraw/zinc/26/40/68/348264068.db2.gz UNIRWXLGYUINSL-UHFFFAOYSA-N 0 1 282.300 0.165 20 5 CCBDMN O=C(NCC[C@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC000345725333 137248579 /nfs/dbraw/zinc/24/85/79/137248579.db2.gz UAVQWLODAKHKNW-ZETCQYMHSA-N 0 1 254.246 0.474 20 5 CCBDMN C[C@@]1(CO)C[C@H](O)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000602909966 362881552 /nfs/dbraw/zinc/88/15/52/362881552.db2.gz WLSALBNODCZWRT-STQMWFEESA-N 0 1 266.297 0.912 20 5 CCBDMN CCCN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000044669106 348324380 /nfs/dbraw/zinc/32/43/80/348324380.db2.gz VBSUPNXROZUZDQ-UHFFFAOYSA-N 0 1 281.316 0.346 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000054370136 348554180 /nfs/dbraw/zinc/55/41/80/348554180.db2.gz VCEOZYQQFLWWQN-SNVBAGLBSA-N 0 1 263.297 0.958 20 5 CCBDMN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1 ZINC000088058932 349354468 /nfs/dbraw/zinc/35/44/68/349354468.db2.gz GVTGLOXLICZLDH-SNVBAGLBSA-N 0 1 263.297 0.958 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOC[C@@H]2C2CC2)c1 ZINC000090007902 349420256 /nfs/dbraw/zinc/42/02/56/349420256.db2.gz PPPNLPCHEDXLNN-QWHCGFSZSA-N 0 1 296.327 0.263 20 5 CCBDMN CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000104919620 186031863 /nfs/dbraw/zinc/03/18/63/186031863.db2.gz YDYPXETXPDWCNX-SECBINFHSA-N 0 1 294.311 0.719 20 5 CCBDMN CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000104919620 186031865 /nfs/dbraw/zinc/03/18/65/186031865.db2.gz YDYPXETXPDWCNX-SECBINFHSA-N 0 1 294.311 0.719 20 5 CCBDMN CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000104919620 186031867 /nfs/dbraw/zinc/03/18/67/186031867.db2.gz YDYPXETXPDWCNX-SECBINFHSA-N 0 1 294.311 0.719 20 5 CCBDMN CCc1nn(C)c(NCc2nnc[nH]2)c1[N+](=O)[O-] ZINC000091562512 180192984 /nfs/dbraw/zinc/19/29/84/180192984.db2.gz ZGUAFWJNVWDRAK-UHFFFAOYSA-N 0 1 251.250 0.621 20 5 CCBDMN O=C(NC[C@H]1CCCC[C@@H]1O)c1n[nH]cc1[N+](=O)[O-] ZINC000131020106 350258174 /nfs/dbraw/zinc/25/81/74/350258174.db2.gz PBPFDMCNXPBVCW-APPZFPTMSA-N 0 1 268.273 0.599 20 5 CCBDMN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154094992 350575354 /nfs/dbraw/zinc/57/53/54/350575354.db2.gz OWXGKLPLMVSQDB-SFYZADRCSA-N 0 1 295.299 0.482 20 5 CCBDMN COc1cc(OCC(=O)N2CCNCC2)ccc1[N+](=O)[O-] ZINC000159373567 350676304 /nfs/dbraw/zinc/67/63/04/350676304.db2.gz MJTPONSCZJXWPS-UHFFFAOYSA-N 0 1 295.295 0.414 20 5 CCBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1nn[nH]n1 ZINC000164865987 350784076 /nfs/dbraw/zinc/78/40/76/350784076.db2.gz SAPRMLNCSCHQAW-UHFFFAOYSA-N 0 1 278.228 0.047 20 5 CCBDMN C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1nnc[nH]1 ZINC000183613729 351384816 /nfs/dbraw/zinc/38/48/16/351384816.db2.gz RMHUCGQWSGIMPF-ZCFIWIBFSA-N 0 1 277.244 0.991 20 5 CCBDMN O=C(N[C@H](CCO)c1ccco1)c1n[nH]cc1[N+](=O)[O-] ZINC000187911399 351563206 /nfs/dbraw/zinc/56/32/06/351563206.db2.gz GLWSIBSAVMEKLD-SSDOTTSWSA-N 0 1 280.240 0.764 20 5 CCBDMN O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000189389109 351673976 /nfs/dbraw/zinc/67/39/76/351673976.db2.gz VPBWMDYJNSOOSP-ZXFLCMHBSA-N 0 1 266.257 0.615 20 5 CCBDMN CN1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000230753598 352119625 /nfs/dbraw/zinc/11/96/25/352119625.db2.gz SJKXIERBBRARCG-UHFFFAOYSA-N 0 1 279.300 0.350 20 5 CCBDMN CC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000265400444 352636025 /nfs/dbraw/zinc/63/60/25/352636025.db2.gz IHRVYXBSKNWCGW-LBPRGKRZSA-N 0 1 280.328 0.883 20 5 CCBDMN CCN(C)C(=O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274847554 353167303 /nfs/dbraw/zinc/16/73/03/353167303.db2.gz OEUUXTKCDQREMX-UHFFFAOYSA-N 0 1 281.268 0.509 20 5 CCBDMN O=c1[nH]ccc2c1CN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000276936766 353211479 /nfs/dbraw/zinc/21/14/79/353211479.db2.gz NCUVPYMAHIYEKZ-UHFFFAOYSA-N 0 1 289.295 0.950 20 5 CCBDMN CC(C)C(=O)NCCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000157275487 188306891 /nfs/dbraw/zinc/30/68/91/188306891.db2.gz BZAZOACADILETD-UHFFFAOYSA-N 0 1 283.332 0.495 20 5 CCBDMN C[C@H]1OCC[C@]1(O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000279639847 353306919 /nfs/dbraw/zinc/30/69/19/353306919.db2.gz YYLDEPZOMRQUGI-OQPBUACISA-N 0 1 296.279 0.570 20 5 CCBDMN COC(=O)[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1C ZINC000279824112 353318010 /nfs/dbraw/zinc/31/80/10/353318010.db2.gz BTCAWUKPWIRBJX-HTRCEHHLSA-N 0 1 296.283 0.507 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1COC[C@H]1O ZINC000295620886 353908483 /nfs/dbraw/zinc/90/84/83/353908483.db2.gz OLJIZKXPZMGSMZ-VXGBXAGGSA-N 0 1 252.270 0.753 20 5 CCBDMN CN1CCN(CCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000302888620 354091887 /nfs/dbraw/zinc/09/18/87/354091887.db2.gz APURGTQYJYOLLR-UHFFFAOYSA-N 0 1 292.339 0.572 20 5 CCBDMN CC[C@H](C)[C@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000305753133 354158981 /nfs/dbraw/zinc/15/89/81/354158981.db2.gz UGNAPVZRVSIYAF-WRWORJQWSA-N 0 1 270.289 0.845 20 5 CCBDMN COc1ccc(CN[C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000323684988 354230066 /nfs/dbraw/zinc/23/00/66/354230066.db2.gz ORJSVKCMGXTKRL-KOLCDFICSA-N 0 1 268.269 0.453 20 5 CCBDMN C[C@H](O)CN1CCN(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000330397351 354343689 /nfs/dbraw/zinc/34/36/89/354343689.db2.gz HBBGUHPMKPOCKQ-QWRGUYRKSA-N 0 1 297.359 0.215 20 5 CCBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000330442985 354360777 /nfs/dbraw/zinc/36/07/77/354360777.db2.gz BIHGFANJURIYKH-CYBMUJFWSA-N 0 1 282.296 0.884 20 5 CCBDMN CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000331243671 354502972 /nfs/dbraw/zinc/50/29/72/354502972.db2.gz PSMGYASTMHFHMA-SECBINFHSA-N 0 1 294.311 0.862 20 5 CCBDMN CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000331243671 354502975 /nfs/dbraw/zinc/50/29/75/354502975.db2.gz PSMGYASTMHFHMA-SECBINFHSA-N 0 1 294.311 0.862 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](CCO)C2)c1[N+](=O)[O-] ZINC000332663195 354714519 /nfs/dbraw/zinc/71/45/19/354714519.db2.gz BZESYAAMVAPFLD-MRVPVSSYSA-N 0 1 282.300 0.725 20 5 CCBDMN COC(=O)CN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338892061 355446013 /nfs/dbraw/zinc/44/60/13/355446013.db2.gz KBKAMUWUUVPIEI-UHFFFAOYSA-N 0 1 254.242 0.905 20 5 CCBDMN COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338982979 355466180 /nfs/dbraw/zinc/46/61/80/355466180.db2.gz NUFBKUVSHBZLIB-ZYHUDNBSSA-N 0 1 296.279 0.409 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)NCc2cn[nH]c2C)n1 ZINC000427504441 235368134 /nfs/dbraw/zinc/36/81/34/235368134.db2.gz JZGCEPHYBVKNCQ-UHFFFAOYSA-N 0 1 278.272 0.773 20 5 CCBDMN C[C@H](CC(N)=O)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000359720110 137962395 /nfs/dbraw/zinc/96/23/95/137962395.db2.gz RUKMZSOZRBFCLV-ZCFIWIBFSA-N 0 1 291.267 0.465 20 5 CCBDMN NC(=O)c1[nH]nnc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000362405470 138057855 /nfs/dbraw/zinc/05/78/55/138057855.db2.gz XEZADFIJUFAEHY-UHFFFAOYSA-N 0 1 276.212 0.064 20 5 CCBDMN Cn1c(C(=O)NC(C)(C)c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000354776040 356495741 /nfs/dbraw/zinc/49/57/41/356495741.db2.gz BWBQAJGWEJRUMF-UHFFFAOYSA-N 0 1 279.260 0.112 20 5 CCBDMN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1nn[nH]n1 ZINC000609489141 363498654 /nfs/dbraw/zinc/49/86/54/363498654.db2.gz QACMHILJJLNOBY-UHFFFAOYSA-N 0 1 291.271 0.226 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000355210885 356608391 /nfs/dbraw/zinc/60/83/91/356608391.db2.gz JYUYCVCUPVENAH-ZCFIWIBFSA-N 0 1 277.240 0.910 20 5 CCBDMN Cc1nc(=NC(=O)c2ccc([N+](=O)[O-])s2)[nH]n1C ZINC000355817821 356653660 /nfs/dbraw/zinc/65/36/60/356653660.db2.gz GDVGZGJOFRWUMJ-UHFFFAOYSA-N 0 1 267.270 0.767 20 5 CCBDMN CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000619789045 366354616 /nfs/dbraw/zinc/35/46/16/366354616.db2.gz XXPKZPDIBCJRKH-SECBINFHSA-N 0 1 279.300 0.627 20 5 CCBDMN CCN1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1=O ZINC000619825138 366361441 /nfs/dbraw/zinc/36/14/41/366361441.db2.gz IJHXJUFQOFCQDQ-LLVKDONJSA-N 0 1 293.279 0.651 20 5 CCBDMN O=C(NCCN1CCc2sccc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000373947225 357392685 /nfs/dbraw/zinc/39/26/85/357392685.db2.gz OAMRBHWDCLRFMC-GHMZBOCLSA-N 0 1 295.364 0.888 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000377134363 357541271 /nfs/dbraw/zinc/54/12/71/357541271.db2.gz ZJSWWNUPLGOOMR-GMTAPVOTSA-N 0 1 281.312 0.123 20 5 CCBDMN COC[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000610635756 363589636 /nfs/dbraw/zinc/58/96/36/363589636.db2.gz WDILDIWRTVRLBJ-QMMMGPOBSA-N 0 1 268.273 0.877 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408190208 357960435 /nfs/dbraw/zinc/96/04/35/357960435.db2.gz UKUNYMHVXFZWLT-XKSSXDPKSA-N 0 1 294.311 0.723 20 5 CCBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1nn[nH]n1 ZINC000610668288 363593310 /nfs/dbraw/zinc/59/33/10/363593310.db2.gz NODSNGOQHXFFBB-UHFFFAOYSA-N 0 1 276.256 0.357 20 5 CCBDMN C[C@H]1C[C@@H](O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000408292543 358014534 /nfs/dbraw/zinc/01/45/34/358014534.db2.gz CZEWWMKYQXIQFH-WRWORJQWSA-N 0 1 266.253 0.896 20 5 CCBDMN [NH3+][C@H]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000579950794 359066101 /nfs/dbraw/zinc/06/61/01/359066101.db2.gz UUIUZUHWMNCYKM-IUCAKERBSA-N 0 1 294.311 0.943 20 5 CCBDMN CN1CCO[C@H]2CCN(c3ccncc3[N+](=O)[O-])C[C@@H]21 ZINC000585782193 359272918 /nfs/dbraw/zinc/27/29/18/359272918.db2.gz USSFGAYQHVORFR-STQMWFEESA-N 0 1 278.312 0.899 20 5 CCBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586753499 359284007 /nfs/dbraw/zinc/28/40/07/359284007.db2.gz PTKUVAUVBJACEW-ZETCQYMHSA-N 0 1 265.273 0.284 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC3(C2)CCCOC3)c1[N+](=O)[O-] ZINC000588798076 359337884 /nfs/dbraw/zinc/33/78/84/359337884.db2.gz IYCYPNGWJUUMHV-UHFFFAOYSA-N 0 1 280.284 0.879 20 5 CCBDMN NC(=O)c1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000590005422 359415937 /nfs/dbraw/zinc/41/59/37/359415937.db2.gz RBMRSTXDEMOGBX-GDNZZTSVSA-N 0 1 291.307 0.364 20 5 CCBDMN Cn1c(C(=O)N2CCc3nc[nH]c3C2)ccc1[N+](=O)[O-] ZINC000590378164 359446767 /nfs/dbraw/zinc/44/67/67/359446767.db2.gz GYBJMOKYAOOGFF-UHFFFAOYSA-N 0 1 275.268 0.855 20 5 CCBDMN C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000563107726 291194140 /nfs/dbraw/zinc/19/41/40/291194140.db2.gz YVFXNRCAVRDGPF-OIBJUYFYSA-N 0 1 280.284 0.423 20 5 CCBDMN Nc1ncc([N+](=O)[O-])cc1-c1nc(C2(N)CCC2)no1 ZINC000592354835 359823764 /nfs/dbraw/zinc/82/37/64/359823764.db2.gz JPVQSDNVKMLLLM-UHFFFAOYSA-N 0 1 276.256 0.960 20 5 CCBDMN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)N1 ZINC000592297008 359813313 /nfs/dbraw/zinc/81/33/13/359813313.db2.gz BKOUIEBKLUXWIM-HTQZYQBOSA-N 0 1 267.289 0.151 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000593032876 360019268 /nfs/dbraw/zinc/01/92/68/360019268.db2.gz FHHXZRSZDMQWEA-BXKDBHETSA-N 0 1 268.269 0.085 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC000593032876 360019272 /nfs/dbraw/zinc/01/92/72/360019272.db2.gz FHHXZRSZDMQWEA-BXKDBHETSA-N 0 1 268.269 0.085 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(C)C2)n1 ZINC000611335052 363708584 /nfs/dbraw/zinc/70/85/84/363708584.db2.gz SSTIIHDRODAYCE-MRVPVSSYSA-N 0 1 267.289 0.152 20 5 CCBDMN C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000594423482 360300138 /nfs/dbraw/zinc/30/01/38/360300138.db2.gz VYPKZORZWOCEAQ-DTORHVGOSA-N 0 1 294.311 0.765 20 5 CCBDMN CCN1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000611525206 363733228 /nfs/dbraw/zinc/73/32/28/363733228.db2.gz MTUDJIPRSVPQPX-UHFFFAOYSA-N 0 1 280.328 0.811 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCOCCF ZINC000595409376 360524301 /nfs/dbraw/zinc/52/43/01/360524301.db2.gz PAMCRZJZSZVQTP-UHFFFAOYSA-N 0 1 293.276 0.254 20 5 CCBDMN [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCCC1 ZINC000595954963 360731858 /nfs/dbraw/zinc/73/18/58/360731858.db2.gz HDCOMKBRNUPICG-UHFFFAOYSA-N 0 1 280.284 0.697 20 5 CCBDMN Nc1ccc(N2CCN(CCCO)CC2)nc1[N+](=O)[O-] ZINC000596097363 360794449 /nfs/dbraw/zinc/79/44/49/360794449.db2.gz ILHWCPPQMGPCGY-UHFFFAOYSA-N 0 1 281.316 0.076 20 5 CCBDMN C[C@H](O)CN1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596109553 360797869 /nfs/dbraw/zinc/79/78/69/360797869.db2.gz DIVZNHNTRXZDIB-VIFPVBQESA-N 0 1 282.300 0.198 20 5 CCBDMN CN(C)C1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000597409168 361088433 /nfs/dbraw/zinc/08/84/33/361088433.db2.gz AEAFEPGZXYDVSS-UHFFFAOYSA-N 0 1 267.289 0.002 20 5 CCBDMN CCc1n[nH]c(C(=O)N2CCC3(CN(C)C3)C2)c1[N+](=O)[O-] ZINC000597571910 361142597 /nfs/dbraw/zinc/14/25/97/361142597.db2.gz KSKWVSOZLJRTNI-UHFFFAOYSA-N 0 1 293.327 0.658 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC3(CN(C)C3)C2)c1[N+](=O)[O-] ZINC000597571910 361142602 /nfs/dbraw/zinc/14/26/02/361142602.db2.gz KSKWVSOZLJRTNI-UHFFFAOYSA-N 0 1 293.327 0.658 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN2C(C)(C)C)n1 ZINC000597859276 361271236 /nfs/dbraw/zinc/27/12/36/361271236.db2.gz SPNBPBJGTFQASI-VIFPVBQESA-N 0 1 295.343 0.931 20 5 CCBDMN C[C@@H]1CO[C@@H](C)CN1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597997091 361304823 /nfs/dbraw/zinc/30/48/23/361304823.db2.gz LBKPUDYPUGIKRW-BDAKNGLRSA-N 0 1 297.315 0.157 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C[C@H]2COCCO2)c1[N+](=O)[O-] ZINC000598182950 361349594 /nfs/dbraw/zinc/34/95/94/361349594.db2.gz PWTMULIDWZXDGQ-QMMMGPOBSA-N 0 1 284.272 0.114 20 5 CCBDMN O=C(N[C@H]1C[C@@H](O)C12CCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000598314751 361388306 /nfs/dbraw/zinc/38/83/06/361388306.db2.gz YSUJAHMCZMAJSA-JGVFFNPUSA-N 0 1 266.257 0.351 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000598394337 361403731 /nfs/dbraw/zinc/40/37/31/361403731.db2.gz NCUGOLJOYHPWFL-BDAKNGLRSA-N 0 1 294.311 0.989 20 5 CCBDMN O=[N+]([O-])c1cnc(NCCN2CC[C@@H](O)C2)c(F)c1 ZINC000599175967 361600168 /nfs/dbraw/zinc/60/01/68/361600168.db2.gz LKRSXFRLALWJID-SECBINFHSA-N 0 1 270.264 0.607 20 5 CCBDMN COCC[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599228350 361615752 /nfs/dbraw/zinc/61/57/52/361615752.db2.gz ANYIYGOFFBLOFA-ZETCQYMHSA-N 0 1 292.317 0.032 20 5 CCBDMN CN(C)CC(=O)N1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301924764 201265086 /nfs/dbraw/zinc/26/50/86/201265086.db2.gz GLOZLTLYTRWMDT-UHFFFAOYSA-N 0 1 298.368 0.867 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2=CCCC2)n1 ZINC000599347238 361664292 /nfs/dbraw/zinc/66/42/92/361664292.db2.gz FKYMDKMJZRLHMY-UHFFFAOYSA-N 0 1 286.313 0.717 20 5 CCBDMN O=[N+]([O-])c1cccc(CN2C[C@@H](CO)[C@H](CO)C2)c1 ZINC000599531230 361728747 /nfs/dbraw/zinc/72/87/47/361728747.db2.gz NQSVYGAMCJXOOD-RYUDHWBXSA-N 0 1 266.297 0.627 20 5 CCBDMN C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C(=O)[O-])C1 ZINC000566368879 291398142 /nfs/dbraw/zinc/39/81/42/291398142.db2.gz UQHZSJJZFWYJFM-UWVGGRQHSA-N 0 1 282.300 0.976 20 5 CCBDMN NC(=O)[C@@]1(O)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000276450790 193336350 /nfs/dbraw/zinc/33/63/50/193336350.db2.gz MWLIHMAJGXEDCO-GFCCVEGCSA-N 0 1 265.269 0.017 20 5 CCBDMN CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000568982488 291638980 /nfs/dbraw/zinc/63/89/80/291638980.db2.gz BXMRUMSGMPVNPC-UHFFFAOYSA-N 0 1 268.273 0.425 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@H]1[NH3+] ZINC000568998848 291641632 /nfs/dbraw/zinc/64/16/32/291641632.db2.gz HUXCLWVNWCKXKJ-GMSGAONNSA-N 0 1 280.284 0.505 20 5 CCBDMN Cc1c(CN(CCO)CCOCCO)cccc1[N+](=O)[O-] ZINC000459801167 249063573 /nfs/dbraw/zinc/06/35/73/249063573.db2.gz XIEDPKVMXHJABC-UHFFFAOYSA-N 0 1 298.339 0.706 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CCN(C3CCOCC3)CC2)nc1 ZINC000273597075 285174357 /nfs/dbraw/zinc/17/43/57/285174357.db2.gz IPLZOHZOFPJDCZ-UHFFFAOYSA-N 0 1 293.327 0.686 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCC(O)CC1 ZINC000322316581 285179826 /nfs/dbraw/zinc/17/98/26/285179826.db2.gz FKBOTUYJQMKLQJ-UHFFFAOYSA-N 0 1 297.359 0.988 20 5 CCBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCC(N)=O ZINC000286569768 388842626 /nfs/dbraw/zinc/84/26/26/388842626.db2.gz ULKCOUGTCCPTIR-SECBINFHSA-N 0 1 294.311 0.729 20 5 CCBDMN C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000188448044 388927767 /nfs/dbraw/zinc/92/77/67/388927767.db2.gz HIPJAGKWPBSJGS-SECBINFHSA-N 0 1 294.311 0.767 20 5 CCBDMN C[N@@H+]1CCC[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000188448044 388927769 /nfs/dbraw/zinc/92/77/69/388927769.db2.gz HIPJAGKWPBSJGS-SECBINFHSA-N 0 1 294.311 0.767 20 5 CCBDMN C[N@H+]1CCC[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000188448044 388927770 /nfs/dbraw/zinc/92/77/70/388927770.db2.gz HIPJAGKWPBSJGS-SECBINFHSA-N 0 1 294.311 0.767 20 5 CCBDMN C[C@@H](NCCN1C(=O)CNC1=O)c1ccccc1[N+](=O)[O-] ZINC000342266750 389204428 /nfs/dbraw/zinc/20/44/28/389204428.db2.gz CDYFAIPQIMSXBZ-SECBINFHSA-N 0 1 292.295 0.797 20 5 CCBDMN C[C@H]1C[C@@H](O)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000340903456 389163851 /nfs/dbraw/zinc/16/38/51/389163851.db2.gz IIHZQKFTOGMVAS-GZMMTYOYSA-N 0 1 279.296 0.649 20 5 CCBDMN O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000249231532 389253526 /nfs/dbraw/zinc/25/35/26/389253526.db2.gz VPBWMDYJNSOOSP-LKEWCRSYSA-N 0 1 266.257 0.615 20 5 CCBDMN C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1 ZINC000422828381 389484622 /nfs/dbraw/zinc/48/46/22/389484622.db2.gz AOWJTRJHMZYZGT-MRVPVSSYSA-N 0 1 264.285 0.611 20 5 CCBDMN CC[C@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274181581 389495383 /nfs/dbraw/zinc/49/53/83/389495383.db2.gz JNWLKVHIDPFGMS-MRVPVSSYSA-N 0 1 254.242 0.801 20 5 CCBDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000179247291 389648566 /nfs/dbraw/zinc/64/85/66/389648566.db2.gz WVTKCXOQKSINFH-UWVGGRQHSA-N 0 1 281.316 0.342 20 5 CCBDMN CN(CCCO)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000281994237 389644306 /nfs/dbraw/zinc/64/43/06/389644306.db2.gz RCVPXWSLVDUCAB-UHFFFAOYSA-N 0 1 278.268 0.926 20 5 CCBDMN CCC[C@H]1CNCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000423501875 389596081 /nfs/dbraw/zinc/59/60/81/389596081.db2.gz DHCDWBBEAQSHLC-QMMMGPOBSA-N 0 1 267.289 0.532 20 5 CCBDMN CCC[C@@H]1CNCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000423501874 389596757 /nfs/dbraw/zinc/59/67/57/389596757.db2.gz DHCDWBBEAQSHLC-MRVPVSSYSA-N 0 1 267.289 0.532 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@](O)(CC)C2)c1[N+](=O)[O-] ZINC000429617104 389762570 /nfs/dbraw/zinc/76/25/70/389762570.db2.gz IMKVYMJNMKABFX-GFCCVEGCSA-N 0 1 282.300 0.867 20 5 CCBDMN O=C(N[C@@H](CO)c1ccsc1)c1n[nH]cc1[N+](=O)[O-] ZINC000352046626 389742010 /nfs/dbraw/zinc/74/20/10/389742010.db2.gz VAIUAUVIUAHQER-ZETCQYMHSA-N 0 1 282.281 0.843 20 5 CCBDMN CCc1nc(NC(=O)c2ccc([N+](=O)[O-])n2C)n[nH]1 ZINC000479138163 390081282 /nfs/dbraw/zinc/08/12/82/390081282.db2.gz QILFGQVFFKTNBA-UHFFFAOYSA-N 0 1 264.245 0.866 20 5 CCBDMN CCc1n[nH]c(NC(=O)c2ccc([N+](=O)[O-])n2C)n1 ZINC000479138163 390081283 /nfs/dbraw/zinc/08/12/83/390081283.db2.gz QILFGQVFFKTNBA-UHFFFAOYSA-N 0 1 264.245 0.866 20 5 CCBDMN O=c1[n-]c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n[nH]1 ZINC000488720414 390095628 /nfs/dbraw/zinc/09/56/28/390095628.db2.gz YVTVTWLKHYAADJ-UHFFFAOYSA-N 0 1 293.287 0.452 20 5 CCBDMN CNC(=O)OCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000495839887 390254218 /nfs/dbraw/zinc/25/42/18/390254218.db2.gz HYKDQGWWPLDTAA-UHFFFAOYSA-N 0 1 257.202 0.436 20 5 CCBDMN CNS(=O)(=O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519555734 390510599 /nfs/dbraw/zinc/51/05/99/390510599.db2.gz PBJJSHCJJMRSIM-LLVKDONJSA-N 0 1 299.352 0.721 20 5 CCBDMN C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000572640880 390794781 /nfs/dbraw/zinc/79/47/81/390794781.db2.gz JLIBEZWPAMKMCN-HTQZYQBOSA-N 0 1 280.284 0.505 20 5 CCBDMN CCN1C[C@H](C)N(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000575002178 390830861 /nfs/dbraw/zinc/83/08/61/390830861.db2.gz ZDFUGNTZTFJHBF-IUCAKERBSA-N 0 1 281.316 0.873 20 5 CCBDMN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1CO ZINC000190884463 130158056 /nfs/dbraw/zinc/15/80/56/130158056.db2.gz XRFBIJDLXPLBMW-SKDRFNHKSA-N 0 1 293.323 0.754 20 5 CCBDMN C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CC1 ZINC000341963139 130175847 /nfs/dbraw/zinc/17/58/47/130175847.db2.gz DQRRHDYZTNHIDE-NSHDSACASA-N 0 1 294.311 0.765 20 5 CCBDMN C[C@@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000275415152 135106547 /nfs/dbraw/zinc/10/65/47/135106547.db2.gz SSGSJPIEQVAOOH-GHMZBOCLSA-N 0 1 280.328 0.881 20 5 CCBDMN CCn1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000196747325 397427492 /nfs/dbraw/zinc/42/74/92/397427492.db2.gz FAGQJLOFHVFBTQ-UHFFFAOYSA-N 0 1 264.245 0.464 20 5 CCBDMN CCn1ncnc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357954304 144136738 /nfs/dbraw/zinc/13/67/38/144136738.db2.gz DOGPVLPSVPDZLC-UHFFFAOYSA-N 0 1 291.267 0.842 20 5 CCBDMN CC[N@H+](CCC(=O)[O-])CCn1c(C)ncc1[N+](=O)[O-] ZINC000038024380 174006751 /nfs/dbraw/zinc/00/67/51/174006751.db2.gz KEZILONLBLMAQL-UHFFFAOYSA-N 0 1 270.289 0.896 20 5 CCBDMN CN(CC(=O)N1CCNCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000038030961 174023807 /nfs/dbraw/zinc/02/38/07/174023807.db2.gz XOQXXJVBTGUZCX-UHFFFAOYSA-N 0 1 292.339 0.458 20 5 CCBDMN COC(=O)c1cnc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC000276712243 274008124 /nfs/dbraw/zinc/00/81/24/274008124.db2.gz JNDCQNLBKVXUFO-UHFFFAOYSA-N 0 1 280.284 0.527 20 5 CCBDMN CN1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357321870 277052683 /nfs/dbraw/zinc/05/26/83/277052683.db2.gz ZLOCGHOLRRRFDN-UHFFFAOYSA-N 0 1 279.300 0.231 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000351885254 278001348 /nfs/dbraw/zinc/00/13/48/278001348.db2.gz BDSJFTFPZMQXDC-JGVFFNPUSA-N 0 1 282.300 0.894 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000351885256 278001383 /nfs/dbraw/zinc/00/13/83/278001383.db2.gz BDSJFTFPZMQXDC-SFYZADRCSA-N 0 1 282.300 0.894 20 5 CCBDMN NC(=O)[C@@]1(NCCOc2ccccc2[N+](=O)[O-])CCOC1 ZINC000572852726 328131302 /nfs/dbraw/zinc/13/13/02/328131302.db2.gz LAGYLTAVYGLVOH-CYBMUJFWSA-N 0 1 295.295 0.208 20 5 CCBDMN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H]1C[NH3+] ZINC000575749077 335111814 /nfs/dbraw/zinc/11/18/14/335111814.db2.gz UFDUQNGTNGPIJA-BDAKNGLRSA-N 0 1 294.311 0.752 20 5 CCBDMN CNS(=O)(=O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000187192097 522208109 /nfs/dbraw/zinc/20/81/09/522208109.db2.gz GKSHRHDDRAUNBC-SECBINFHSA-N 0 1 287.341 0.795 20 5 CCBDMN CNc1c(C(=O)NCc2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000161496190 522539674 /nfs/dbraw/zinc/53/96/74/522539674.db2.gz JOYZLYYKXIVKRZ-UHFFFAOYSA-N 0 1 276.256 0.685 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CCN2CCC1CC2 ZINC000364937996 526717109 /nfs/dbraw/zinc/71/71/09/526717109.db2.gz SGSVLZACFKJVIZ-UHFFFAOYSA-N 0 1 276.296 0.910 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)Cc2cnccn2)c1[N+](=O)[O-] ZINC000265372751 535997692 /nfs/dbraw/zinc/99/76/92/535997692.db2.gz IUZNSZYAFGWZHS-UHFFFAOYSA-N 0 1 290.283 0.943 20 5 CCBDMN COC[C@@H](N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000262288957 536663661 /nfs/dbraw/zinc/66/36/61/536663661.db2.gz MQZUOKSTNAQNSP-SECBINFHSA-N 0 1 283.284 0.193 20 5 CCBDMN O=C(O[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000726328571 581237253 /nfs/dbraw/zinc/23/72/53/581237253.db2.gz RPSCFTLIOBHMHA-LURJTMIESA-N 0 1 274.254 0.267 20 5 CCBDMN CCc1nc(COC(=O)c2ccc([N+](=O)[O-])n2C)n[nH]1 ZINC000754770012 581608663 /nfs/dbraw/zinc/60/86/63/581608663.db2.gz IUWVFLDYJLRAFQ-UHFFFAOYSA-N 0 1 279.256 0.971 20 5 CCBDMN O=C(COc1ccccc1[N+](=O)[O-])OCCc1c[nH]nn1 ZINC000735128408 581624524 /nfs/dbraw/zinc/62/45/24/581624524.db2.gz QDUIONIXKJWLLN-UHFFFAOYSA-N 0 1 292.251 0.878 20 5 CCBDMN O=C(COc1ccccc1[N+](=O)[O-])OCCc1cnn[nH]1 ZINC000735128408 581624528 /nfs/dbraw/zinc/62/45/28/581624528.db2.gz QDUIONIXKJWLLN-UHFFFAOYSA-N 0 1 292.251 0.878 20 5 CCBDMN O=C(CCc1nc[nH]n1)OCCn1ccc([N+](=O)[O-])n1 ZINC000764003022 582025386 /nfs/dbraw/zinc/02/53/86/582025386.db2.gz RHVMNWPPAMIZKR-UHFFFAOYSA-N 0 1 280.244 0.085 20 5 CCBDMN O=C([O-])N[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000738655766 582068815 /nfs/dbraw/zinc/06/88/15/582068815.db2.gz OUTLMESOVOKIKG-SECBINFHSA-N 0 1 283.288 0.523 20 5 CCBDMN O=C([O-])C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000819379768 597089347 /nfs/dbraw/zinc/08/93/47/597089347.db2.gz ACDJUWKCBKIDRA-JTQLQIEISA-N 0 1 282.300 0.978 20 5 CCBDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000054068682 597475711 /nfs/dbraw/zinc/47/57/11/597475711.db2.gz OCFRDUJYEMNQMW-ZETCQYMHSA-N 0 1 281.268 0.599 20 5 CCBDMN C[C@H](C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000042706502 600372144 /nfs/dbraw/zinc/37/21/44/600372144.db2.gz KBSSHWNICKCHPT-MRVPVSSYSA-N 0 1 295.295 0.846 20 5 CCBDMN C[C@@]1(C(=O)[O-])CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000828029385 601893656 /nfs/dbraw/zinc/89/36/56/601893656.db2.gz ZMQXVPWIELZTJX-SNVBAGLBSA-N 0 1 254.246 0.545 20 5 CCBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000828029385 601893658 /nfs/dbraw/zinc/89/36/58/601893658.db2.gz ZMQXVPWIELZTJX-SNVBAGLBSA-N 0 1 254.246 0.545 20 5 CCBDMN CS(=O)(=O)[C@H]1CCCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839739668 617183511 /nfs/dbraw/zinc/18/35/11/617183511.db2.gz KMHOEXRASQMEKQ-IVZWLZJFSA-N 0 1 290.341 0.077 20 5 CCBDMN COc1cccc(C(=O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000831677390 617288527 /nfs/dbraw/zinc/28/85/27/617288527.db2.gz UYPKDKFVOBNXAF-GHMZBOCLSA-N 0 1 278.264 0.659 20 5 CCBDMN CC(=O)N1C[C@H]2CN(Cc3cccnc3[N+](=O)[O-])C[C@H]2C1 ZINC000886316604 613631053 /nfs/dbraw/zinc/63/10/53/613631053.db2.gz GXGYMGCNRPGZBC-BETUJISGSA-N 0 1 290.323 0.900 20 5 CCBDMN CC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000959751727 613780459 /nfs/dbraw/zinc/78/04/59/613780459.db2.gz YOQDFBCAVKTFRO-FDYHWXHSSA-N 0 1 297.355 0.710 20 5 CCBDMN CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000977165995 613898012 /nfs/dbraw/zinc/89/80/12/613898012.db2.gz PMLHXGZXAIUKHG-NZFPMDFQSA-N 0 1 295.339 0.271 20 5 CCBDMN CC(C)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973017730 613941910 /nfs/dbraw/zinc/94/19/10/613941910.db2.gz YWJMNFPYCPIURX-ZYUZMQFOSA-N 0 1 269.301 0.071 20 5 CCBDMN CC(C)(C)OC(=O)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839688791 613965090 /nfs/dbraw/zinc/96/50/90/613965090.db2.gz FYULLENBTDAWGJ-HTQZYQBOSA-N 0 1 258.274 0.500 20 5 CCBDMN CCN1CC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000882486075 615312720 /nfs/dbraw/zinc/31/27/20/615312720.db2.gz YALYNYBTJZUSIW-JTQLQIEISA-N 0 1 281.316 0.310 20 5 CCBDMN CCO[C@H]1C[C@](O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839733976 615497301 /nfs/dbraw/zinc/49/73/01/615497301.db2.gz MUBYIQHFFFENFF-DNJQJEMRSA-N 0 1 286.328 0.334 20 5 CCBDMN CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)C(=O)OC ZINC000842379995 615847587 /nfs/dbraw/zinc/84/75/87/615847587.db2.gz QPAGZJFNNRWPLR-KDXUFGMBSA-N 0 1 259.258 0.783 20 5 CCBDMN CN(C)C1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000828012083 615856799 /nfs/dbraw/zinc/85/67/99/615856799.db2.gz GLSSWANQRXQKEF-LBPRGKRZSA-N 0 1 279.296 0.401 20 5 CCBDMN CN(C)C1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000828012082 615856845 /nfs/dbraw/zinc/85/68/45/615856845.db2.gz GLSSWANQRXQKEF-GFCCVEGCSA-N 0 1 279.296 0.401 20 5 CCBDMN CC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1CC(F)F ZINC000839717878 615902050 /nfs/dbraw/zinc/90/20/50/615902050.db2.gz LHJIRSHFYOKUHC-IVZWLZJFSA-N 0 1 291.298 0.840 20 5 CCBDMN CN(C)[C@H](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000831631833 615988930 /nfs/dbraw/zinc/98/89/30/615988930.db2.gz BXRZIXAVPFLLLW-BWZBUEFSSA-N 0 1 283.250 0.650 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)O[C@H](C)c2nnc[nH]2)n1 ZINC000853225850 616015182 /nfs/dbraw/zinc/01/51/82/616015182.db2.gz SAAIDVUOGVZWIF-ZCFIWIBFSA-N 0 1 280.244 0.847 20 5 CCBDMN CN1C(=O)CC[C@@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837684840 616129815 /nfs/dbraw/zinc/12/98/15/616129815.db2.gz LDAQNYYSDCVTAB-LLVKDONJSA-N 0 1 294.263 0.964 20 5 CCBDMN CN1CC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000928574303 616423039 /nfs/dbraw/zinc/42/30/39/616423039.db2.gz UHNLWKGWJCMDIE-JTQLQIEISA-N 0 1 279.296 0.794 20 5 CCBDMN COC(=O)[C@@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840359433 616537195 /nfs/dbraw/zinc/53/71/95/616537195.db2.gz NLIOAITVZXPJJZ-XLDPMVHQSA-N 0 1 256.258 0.110 20 5 CCBDMN COC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC000839695532 616709604 /nfs/dbraw/zinc/70/96/04/616709604.db2.gz HWPRDBSVSBBLCI-HRDYMLBCSA-N 0 1 254.242 0.749 20 5 CCBDMN COC(=O)C[C@H]1CSCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713836 616710704 /nfs/dbraw/zinc/71/07/04/616710704.db2.gz WYLPJQZOURBXNN-DJLDLDEBSA-N 0 1 288.325 0.159 20 5 CCBDMN COC(=O)N(C)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000855941253 616790014 /nfs/dbraw/zinc/79/00/14/616790014.db2.gz VYJPWJFXZCNYAD-UHFFFAOYSA-N 0 1 297.267 0.728 20 5 CCBDMN COC(=O)c1cc(C(C)(C)NC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC000839797807 616835115 /nfs/dbraw/zinc/83/51/15/616835115.db2.gz DIUIZALTABAKMV-RNFRBKRXSA-N 0 1 297.267 0.478 20 5 CCBDMN CO[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C12CCC2 ZINC000839798199 616852978 /nfs/dbraw/zinc/85/29/78/616852978.db2.gz KLEKZQGNAAWBQY-ZYUZMQFOSA-N 0 1 254.286 0.725 20 5 CCBDMN COC(=O)c1coc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840670855 617016605 /nfs/dbraw/zinc/01/66/05/617016605.db2.gz LCKPTOFBKLPJOX-RKDXNWHRSA-N 0 1 269.209 0.775 20 5 CCBDMN C[C@@]1(C2CC2)COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000890591389 624497691 /nfs/dbraw/zinc/49/76/91/624497691.db2.gz OURJDRJBUQKYTL-FOGDFJRCSA-N 0 1 254.286 0.679 20 5 CCBDMN O=[N+]([O-])CCNCc1ccc(Cn2cncn2)cc1 ZINC000905031767 634789251 /nfs/dbraw/zinc/78/92/51/634789251.db2.gz VZKZXXNRPQWNCQ-UHFFFAOYSA-N 0 1 261.285 0.693 20 5 CCBDMN O=C1C[C@H](NCC[N+](=O)[O-])CN1CCOc1ccccc1 ZINC000905135113 634806956 /nfs/dbraw/zinc/80/69/56/634806956.db2.gz VEPGVEUYAYYJOQ-LBPRGKRZSA-N 0 1 293.323 0.533 20 5 CCBDMN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)[C@@H]1C[N@@H+](C)CCN1C ZINC000895249462 632034637 /nfs/dbraw/zinc/03/46/37/632034637.db2.gz TXGSFQCZEGWUMB-ZJUUUORDSA-N 0 1 282.348 0.375 20 5 CCBDMN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)[C@H]1C[N@@H+](C)CCN1C ZINC000895249459 632035508 /nfs/dbraw/zinc/03/55/08/632035508.db2.gz TXGSFQCZEGWUMB-NXEZZACHSA-N 0 1 282.348 0.375 20 5 CCBDMN C[C@H](Nc1c([N+](=O)[O-])cnn1C)[C@@H]1CN(C)CCN1C ZINC000895247879 632038077 /nfs/dbraw/zinc/03/80/77/632038077.db2.gz JNVSVHCHBSDHDB-ONGXEEELSA-N 0 1 282.348 0.375 20 5 CCBDMN Cc1nn(C)c(N[C@H](C)[C@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC000895246571 632038801 /nfs/dbraw/zinc/03/88/01/632038801.db2.gz ASCQITWHWXFVSL-MWLCHTKSSA-N 0 1 296.375 0.683 20 5 CCBDMN O=C1N(CCNCC[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000905379345 634857962 /nfs/dbraw/zinc/85/79/62/634857962.db2.gz CYSBIFSNKLPFDY-SNVBAGLBSA-N 0 1 256.306 0.143 20 5 CCBDMN COc1ccc(OC)c([C@@H](O)[C@@H](C)NCC[N+](=O)[O-])c1 ZINC000905416249 634861150 /nfs/dbraw/zinc/86/11/50/634861150.db2.gz ZMBVAEXHICMTRK-RNCFNFMXSA-N 0 1 284.312 0.992 20 5 CCBDMN O=[N+]([O-])CCNCCOc1ccc2c(c1)OCO2 ZINC000899871432 633910579 /nfs/dbraw/zinc/91/05/79/633910579.db2.gz QYKZYZMPKZPBQP-UHFFFAOYSA-N 0 1 254.242 0.660 20 5 CCBDMN CCC(CC)C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991282281 635836884 /nfs/dbraw/zinc/83/68/84/635836884.db2.gz ZQWAGEFRRPKNSW-GHMZBOCLSA-N 0 1 283.328 0.415 20 5 CCBDMN O=C(/C=C\C1CC1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010885607 650276961 /nfs/dbraw/zinc/27/69/61/650276961.db2.gz WEXSTUJLJJLHHF-OPVGQWETSA-N 0 1 293.323 0.289 20 5 CCBDMN CN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000230685801 637181430 /nfs/dbraw/zinc/18/14/30/637181430.db2.gz VHCVVHUXWUEKKW-QMMMGPOBSA-N 0 1 279.300 0.396 20 5 CCBDMN C[C@@](O)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccs1 ZINC000839687770 640350638 /nfs/dbraw/zinc/35/06/38/640350638.db2.gz GSRAMOJLYUNKNS-SOCHQFKDSA-N 0 1 270.310 0.737 20 5 CCBDMN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701454 640351345 /nfs/dbraw/zinc/35/13/45/640351345.db2.gz LJDUVKKIEJMGME-DOLQZWNJSA-N 0 1 269.301 0.202 20 5 CCBDMN C[S@](=O)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839694147 640351881 /nfs/dbraw/zinc/35/18/81/640351881.db2.gz TZNOWPXPPSZQFY-JRQGXYTQSA-N 0 1 296.348 0.888 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000839734454 640354721 /nfs/dbraw/zinc/35/47/21/640354721.db2.gz SOHYOMMVEVDMOQ-ILPFRECESA-N 0 1 260.315 0.020 20 5 CCBDMN COc1cnccc1[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839732503 640355396 /nfs/dbraw/zinc/35/53/96/640355396.db2.gz FIIHXHVNGXPXQZ-SZEHBUNVSA-N 0 1 265.269 0.933 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(C[C@@H]1CCOC1)C1CC1 ZINC000839711513 640356958 /nfs/dbraw/zinc/35/69/58/640356958.db2.gz NKDOTJMCCJMZMZ-JMJZKYOTSA-N 0 1 254.286 0.679 20 5 CCBDMN O=C(N[C@H](CO)C[C@@H](O)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839725523 640357690 /nfs/dbraw/zinc/35/76/90/640357690.db2.gz SAZCMNGTAIMLQO-UMSGYPCISA-N 0 1 294.307 0.252 20 5 CCBDMN O=C(NC[C@H](O)CCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839726780 640358335 /nfs/dbraw/zinc/35/83/35/640358335.db2.gz SGXQDQBZXRUIOO-JHJVBQTASA-N 0 1 278.308 0.762 20 5 CCBDMN CN1C(=O)COc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc21 ZINC000839754200 640362127 /nfs/dbraw/zinc/36/21/27/640362127.db2.gz YGKJCKLQWHFALR-PSASIEDQSA-N 0 1 291.263 0.646 20 5 CCBDMN Cn1nc2c(c1CNC(=O)[C@@H]1CC1[N+](=O)[O-])CCCC2 ZINC000839773192 640363445 /nfs/dbraw/zinc/36/34/45/640363445.db2.gz CNLIUUQMKBAXJC-MWLCHTKSSA-N 0 1 278.312 0.580 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H](C2CCC2)C1 ZINC000839778888 640364149 /nfs/dbraw/zinc/36/41/49/640364149.db2.gz JKCNDMOTDAARTP-IJLUTSLNSA-N 0 1 268.313 0.927 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000839779905 640364167 /nfs/dbraw/zinc/36/41/67/640364167.db2.gz NREFNJCVNNHGLZ-UZWSLXQKSA-N 0 1 266.297 0.822 20 5 CCBDMN C[C@@H](O)CN(CC(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839787434 640365747 /nfs/dbraw/zinc/36/57/47/640365747.db2.gz MWZVWGRGLPOXPT-FSDSQADBSA-N 0 1 252.217 0.126 20 5 CCBDMN O=C(N[C@@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000808220826 640856515 /nfs/dbraw/zinc/85/65/15/640856515.db2.gz ANYHFWFSHLIZOW-SECBINFHSA-N 0 1 283.284 0.374 20 5 CCBDMN O=C(O[C@H]1CNOC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000816570624 641173941 /nfs/dbraw/zinc/17/39/41/641173941.db2.gz AHEBKBZDBHCDJV-ZETCQYMHSA-N 0 1 254.198 0.361 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(Oc2nccs2)C1 ZINC000820030945 641449195 /nfs/dbraw/zinc/44/91/95/641449195.db2.gz XRRPXGQZAPGLJD-HTQZYQBOSA-N 0 1 269.282 0.398 20 5 CCBDMN O=C(N[C@@H]1COC(=O)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000820078370 641454807 /nfs/dbraw/zinc/45/48/07/641454807.db2.gz NLBQBHLSMJXQLE-LURJTMIESA-N 0 1 290.235 0.516 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2ccccc2[C@@H]1CO ZINC000840405375 641521343 /nfs/dbraw/zinc/52/13/43/641521343.db2.gz IYQVGLRQKQTHKK-UPJWGTAASA-N 0 1 276.292 0.770 20 5 CCBDMN C[C@@H](O)C[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840441191 641577956 /nfs/dbraw/zinc/57/79/56/641577956.db2.gz OVHGXSHNJYWTKR-LMLFDSFASA-N 0 1 256.302 0.804 20 5 CCBDMN O=C(OC[C@H]1CCNC(=O)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000835518418 642665969 /nfs/dbraw/zinc/66/59/69/642665969.db2.gz DIIXSGIDYIRKEP-MRVPVSSYSA-N 0 1 281.268 0.996 20 5 CCBDMN CC(=O)N1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001017159761 650782616 /nfs/dbraw/zinc/78/26/16/650782616.db2.gz PCPCZTDYJWMBRW-VXGBXAGGSA-N 0 1 295.339 0.559 20 5 CCBDMN O=C(OCC1CN(c2ccccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842884973 642969292 /nfs/dbraw/zinc/96/92/92/642969292.db2.gz WIKVOZFKGUPEBC-GHMZBOCLSA-N 0 1 277.280 0.726 20 5 CCBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CNCCO1)CC2 ZINC000843493482 643077047 /nfs/dbraw/zinc/07/70/47/643077047.db2.gz DMPPIFRNAPFPNC-ZDUSSCGKSA-N 0 1 291.307 0.781 20 5 CCBDMN Nc1nccc([C@H]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000846650412 643434952 /nfs/dbraw/zinc/43/49/52/643434952.db2.gz HUFDDZBURQQPLK-IQJOONFLSA-N 0 1 291.311 0.430 20 5 CCBDMN C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000847192213 643492924 /nfs/dbraw/zinc/49/29/24/643492924.db2.gz KCXWFSQPHLFOFA-IWSPIJDZSA-N 0 1 272.301 0.746 20 5 CCBDMN O=C(NCC1SCCS1)c1n[nH]cc1[N+](=O)[O-] ZINC000856162441 644396575 /nfs/dbraw/zinc/39/65/75/644396575.db2.gz YHMSPFOBVWZWGX-UHFFFAOYSA-N 0 1 274.327 0.854 20 5 CCBDMN O=C(NC[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000927570090 648570394 /nfs/dbraw/zinc/57/03/94/648570394.db2.gz SIHWXWHRQGCDKY-OSMVPFSASA-N 0 1 282.218 0.878 20 5 CCBDMN C[C@@H]1[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CCN1C ZINC000928431691 648630349 /nfs/dbraw/zinc/63/03/49/648630349.db2.gz AOTAMOHXWKTQLU-HTQZYQBOSA-N 0 1 267.289 0.151 20 5 CCBDMN Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3OCCN(C)[C@H]3C2)n1 ZINC001164668792 719389084 /nfs/dbraw/zinc/38/90/84/719389084.db2.gz RXPIZPXVROMYCO-QWRGUYRKSA-N 0 1 279.300 0.212 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(OC[C@@H]2COCO2)n1 ZINC001231258596 805762186 /nfs/dbraw/zinc/76/21/86/805762186.db2.gz AIMXWSCIKVMGGF-ZETCQYMHSA-N 0 1 256.214 0.756 20 5 CCBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1ccn[nH]1 ZINC001123897511 799497566 /nfs/dbraw/zinc/49/75/66/799497566.db2.gz GKMHKAUTBSBLRP-UHFFFAOYSA-N 0 1 289.295 0.838 20 5 CCBDMN NCc1nnnn1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001158074713 801563140 /nfs/dbraw/zinc/56/31/40/801563140.db2.gz MCNRHKAAZHTFAF-UHFFFAOYSA-N 0 1 255.625 0.078 20 5 CCBDMN Cc1ccncc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001158982652 801732471 /nfs/dbraw/zinc/73/24/71/801732471.db2.gz NLPZRDJDNKSGIT-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN CS(=O)(=O)c1ccc(-n2cnc(CN)c2)c([N+](=O)[O-])c1 ZINC001162304923 802312734 /nfs/dbraw/zinc/31/27/34/802312734.db2.gz ZBIWOJCSDCYKHF-UHFFFAOYSA-N 0 1 296.308 0.643 20 5 CCBDMN O=[N+]([O-])c1cc[n+]([O-])cc1NCc1noc2c1CNCC2 ZINC001163131742 802488969 /nfs/dbraw/zinc/48/89/69/802488969.db2.gz KVBLBHCNCXPABB-UHFFFAOYSA-N 0 1 291.267 0.474 20 5 CCBDMN CCOC(=O)c1cn(-c2cccc([N+](=O)[O-])n2)nc1CN ZINC001163520581 802566183 /nfs/dbraw/zinc/56/61/83/802566183.db2.gz MJUYQYCOJSZMLK-UHFFFAOYSA-N 0 1 291.267 0.811 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)c1ccc([N+](=O)[O-])nc1 ZINC001163539556 802569308 /nfs/dbraw/zinc/56/93/08/802569308.db2.gz XRICIJVSXWNVRI-UHFFFAOYSA-N 0 1 251.202 0.715 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2cc([N+](=O)[O-])c3nccn3c2)S1 ZINC001163665585 802586493 /nfs/dbraw/zinc/58/64/93/802586493.db2.gz GCNJAQJEDVITOH-SECBINFHSA-N 0 1 293.264 0.964 20 5 CCBDMN C=CC(=O)OC[C@@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229380750 814951297 /nfs/dbraw/zinc/95/12/97/814951297.db2.gz KSWPNBMCFAEISK-ZCFIWIBFSA-N 0 1 283.240 0.895 20 5 CCBDMN Cc1cnc(=S)[n-]c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225743630 805156765 /nfs/dbraw/zinc/15/67/65/805156765.db2.gz YTRWVHUFKPYYMV-SECBINFHSA-O 0 1 286.377 0.436 20 5 CCBDMN C[C@@H](O)CC(=O)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227097009 805323199 /nfs/dbraw/zinc/32/31/99/805323199.db2.gz VZOOAAPJOPTWLZ-ZCFIWIBFSA-N 0 1 293.235 0.920 20 5 CCBDMN CC(=O)N1CC(Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602706 805458741 /nfs/dbraw/zinc/45/87/41/805458741.db2.gz DTGVWAGTABREAT-UHFFFAOYSA-N 0 1 294.267 0.577 20 5 CCBDMN CC[C@H](O)C(=O)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604950 805458826 /nfs/dbraw/zinc/45/88/26/805458826.db2.gz YVWGIFNTQTYLST-LURJTMIESA-N 0 1 283.240 0.644 20 5 CCBDMN Cc1nc(O[C@H]2C(=O)OCC2(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229376424 805527734 /nfs/dbraw/zinc/52/77/34/805527734.db2.gz VLEYJVRPXCLRCE-ZETCQYMHSA-N 0 1 283.240 0.729 20 5 CCBDMN Cc1nnc(CN(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])o1 ZINC001261751619 809076926 /nfs/dbraw/zinc/07/69/26/809076926.db2.gz BRVPLVOPLOOYQP-UHFFFAOYSA-N 0 1 280.244 0.590 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1cccc2ncc([N+](=O)[O-])n21 ZINC001167677133 811238786 /nfs/dbraw/zinc/23/87/86/811238786.db2.gz JMFXZRKLBLLIIB-UHFFFAOYSA-N 0 1 299.294 0.675 20 5 CCBDMN CNC(=O)COc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001125960103 811942864 /nfs/dbraw/zinc/94/28/64/811942864.db2.gz INWXFWOGNXCTGB-GHMZBOCLSA-N 0 1 293.279 0.415 20 5 CCBDMN O=C(NC1CN(Cc2cncs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030294091 815962727 /nfs/dbraw/zinc/96/27/27/815962727.db2.gz XLGLMLQRISPEIW-NXEZZACHSA-N 0 1 282.325 0.109 20 5 CCBDMN CN(C)c1ccc(-n2nnnc2CN)c([N+](=O)[O-])c1 ZINC001168923748 836055622 /nfs/dbraw/zinc/05/56/22/836055622.db2.gz FDESMHDUPKUIJF-UHFFFAOYSA-N 0 1 263.261 0.095 20 5 CCBDMN COC(=O)[C@H](CCC(=O)[O-])[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168971361 836090662 /nfs/dbraw/zinc/09/06/62/836090662.db2.gz JRBIEOFTTYIJPI-GUBZILKMSA-N 0 1 288.300 0.428 20 5 CCBDMN COc1cc(-n2c(C)cnc2CN)cnc1[N+](=O)[O-] ZINC001169028302 836104734 /nfs/dbraw/zinc/10/47/34/836104734.db2.gz ABCSUMKPCBLYEF-UHFFFAOYSA-N 0 1 263.257 0.951 20 5 CCBDMN O=C(C1CC1)N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169023828 836115093 /nfs/dbraw/zinc/11/50/93/836115093.db2.gz FOUMAVBLYRNLRK-YPMHNXCESA-N 0 1 281.356 0.986 20 5 CCBDMN NCc1nnnn1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001158076676 837919971 /nfs/dbraw/zinc/91/99/71/837919971.db2.gz HCGVONYQABKPTB-UHFFFAOYSA-N 0 1 271.240 0.577 20 5 CCBDMN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1nn[nH]n1 ZINC001131169835 838011623 /nfs/dbraw/zinc/01/16/23/838011623.db2.gz OQHVJWRCFVCRIJ-UHFFFAOYSA-N 0 1 278.228 0.150 20 5 CCBDMN CC[C@](N)(CO)Nc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001170859673 839442126 /nfs/dbraw/zinc/44/21/26/839442126.db2.gz QNNXOJCKGYMDIF-SNVBAGLBSA-N 0 1 266.261 0.335 20 5 CCBDMN CC[C@](N)(CO)Nc1cc([N+](=O)[O-])c2nncn2c1 ZINC001170864266 839464681 /nfs/dbraw/zinc/46/46/81/839464681.db2.gz SLRPSAXDVSJJMH-SNVBAGLBSA-N 0 1 266.261 0.107 20 5 CCBDMN C[C@]1(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CN2CCC1CC2 ZINC001146874014 840411128 /nfs/dbraw/zinc/41/11/28/840411128.db2.gz PCNNSYMMESFJHR-LBPRGKRZSA-N 0 1 279.300 0.532 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2cnn[nH]2)n1 ZINC001094243571 841568679 /nfs/dbraw/zinc/56/86/79/841568679.db2.gz UDVCNSJKFLVDNC-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)Cc2ncccn2)c1[N+](=O)[O-] ZINC001175571358 842262105 /nfs/dbraw/zinc/26/21/05/842262105.db2.gz YNMDCNYAKVRQOG-UHFFFAOYSA-N 0 1 290.283 0.943 20 5 CCBDMN O=[N+]([O-])c1ncccc1NCc1n[nH]c(CO)n1 ZINC001187162390 844653130 /nfs/dbraw/zinc/65/31/30/844653130.db2.gz QUXVEKRFJOELPV-UHFFFAOYSA-N 0 1 250.218 0.212 20 5 CCBDMN O=[N+]([O-])c1ncccc1NCc1nnc(CO)[nH]1 ZINC001187162390 844653131 /nfs/dbraw/zinc/65/31/31/844653131.db2.gz QUXVEKRFJOELPV-UHFFFAOYSA-N 0 1 250.218 0.212 20 5 CCBDMN CN(CCCN(C)C(=O)C1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001066588748 847971067 /nfs/dbraw/zinc/97/10/67/847971067.db2.gz LMDSRRRZVHHPAB-VXGBXAGGSA-N 0 1 297.355 0.759 20 5 CCBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCCc2cn[nH]c21 ZINC001116300036 855742476 /nfs/dbraw/zinc/74/24/76/855742476.db2.gz OONFSEHNOBIZMU-QMMMGPOBSA-N 0 1 291.271 0.103 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC001116691822 855813333 /nfs/dbraw/zinc/81/33/33/855813333.db2.gz GDTZTCJRKLTXOJ-UHFFFAOYSA-N 0 1 264.245 0.290 20 5 CCBDMN CN(CCNC(=O)C1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284493982 905324548 /nfs/dbraw/zinc/32/45/48/905324548.db2.gz JAQCPSCAPLAUIR-VXGBXAGGSA-N 0 1 297.355 0.807 20 5 CCBDMN CCCCC(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298038335 907147712 /nfs/dbraw/zinc/14/77/12/907147712.db2.gz UAXMKWFRJASOPZ-GHMZBOCLSA-N 0 1 285.344 0.759 20 5 CCBDMN CCN1CC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001307194377 908292640 /nfs/dbraw/zinc/29/26/40/908292640.db2.gz GCMOCJQPZKBXIR-MRVPVSSYSA-N 0 1 279.300 0.595 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1CSC1 ZINC001309680937 908474728 /nfs/dbraw/zinc/47/47/28/908474728.db2.gz OJEFNGKDRYFEHM-UHFFFAOYSA-N 0 1 289.338 0.631 20 5 CCBDMN COc1cccc(C(=O)NCCNCC[N+](=O)[O-])c1 ZINC001338423791 921464037 /nfs/dbraw/zinc/46/40/37/921464037.db2.gz PFCSPDIKAXEJOK-UHFFFAOYSA-N 0 1 267.285 0.291 20 5 CCBDMN CC(C)c1n[nH]c(NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC001322453606 911812181 /nfs/dbraw/zinc/81/21/81/911812181.db2.gz YVYAXTSISUNGHA-UHFFFAOYSA-N 0 1 279.260 0.672 20 5 CCBDMN CC(C)c1nc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC001322453606 911812189 /nfs/dbraw/zinc/81/21/89/911812189.db2.gz YVYAXTSISUNGHA-UHFFFAOYSA-N 0 1 279.260 0.672 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)NC2(c3nnc[nH]3)CCC2)n1 ZINC001322514943 911842051 /nfs/dbraw/zinc/84/20/51/911842051.db2.gz YOLSVZDUWVXSBI-UHFFFAOYSA-N 0 1 291.271 0.256 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC/C=C/C2CC2)n1 ZINC001329224530 915756698 /nfs/dbraw/zinc/75/66/98/915756698.db2.gz ZRVCRYOIHAQQPN-NSCUHMNNSA-N 0 1 286.313 0.573 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC001330454954 916639812 /nfs/dbraw/zinc/63/98/12/916639812.db2.gz RKTKOHHULOEROB-ZCFIWIBFSA-N 0 1 277.244 0.066 20 5 CCBDMN COCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001335300053 920102116 /nfs/dbraw/zinc/10/21/16/920102116.db2.gz DDZUKQSMKHOGBR-UHFFFAOYSA-N 0 1 288.325 0.605 20 5 CCBDMN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cnccn1 ZINC001335318432 920119771 /nfs/dbraw/zinc/11/97/71/920119771.db2.gz VGDWPZFBDNLIFS-KOLCDFICSA-N 0 1 292.299 0.293 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC001346539907 924256845 /nfs/dbraw/zinc/25/68/45/924256845.db2.gz IGACMKVQUSFNIN-WDEREUQCSA-N 0 1 278.312 0.553 20 5 CCBDMN C/C=C(/C)C(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001351366101 925409589 /nfs/dbraw/zinc/40/95/89/925409589.db2.gz DFBTWCRTKYJVKA-MTUFZTHRSA-N 0 1 283.328 0.583 20 5 CCBDMN C[NH+](C)C[C@H](NCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001353951762 925972351 /nfs/dbraw/zinc/97/23/51/925972351.db2.gz AWAHKPMNCKPERD-NSHDSACASA-N 0 1 267.285 0.699 20 5 CCBDMN CCC(=O)NCCN(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355955289 926329489 /nfs/dbraw/zinc/32/94/89/926329489.db2.gz RNUNTFABXRGSJF-RKDXNWHRSA-N 0 1 257.290 0.026 20 5 CCBDMN CC(C)CCC(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001357544236 926559504 /nfs/dbraw/zinc/55/95/04/926559504.db2.gz CTKPCBCQGHMEFV-BLDJZWNYSA-N 0 1 297.355 0.876 20 5 CCBDMN Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001360191655 926944423 /nfs/dbraw/zinc/94/44/23/926944423.db2.gz HUPGANMHTQVZQZ-GTNGPMTGSA-N 0 1 252.274 0.571 20 5 CCBDMN CCOC[C@H](C(=O)[O-])[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC001596884810 985777102 /nfs/dbraw/zinc/77/71/02/985777102.db2.gz PPQXKYNWQNHVJZ-SNVBAGLBSA-N 0 1 286.288 0.213 20 5 CCBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001599462523 998298794 /nfs/dbraw/zinc/29/87/94/998298794.db2.gz XRZYVLRFQCLBLS-ZDUSSCGKSA-N 0 1 296.279 0.625 20 5 CCBDMN COc1cc(CNC[C@H]2COCCO2)c([N+](=O)[O-])cc1O ZINC000337851988 214286855 /nfs/dbraw/zinc/28/68/55/214286855.db2.gz GACHDOGWOQGLHD-JTQLQIEISA-N 0 1 298.295 0.814 20 5 CCBDMN C[C@H]1CNCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000125625489 187193754 /nfs/dbraw/zinc/19/37/54/187193754.db2.gz VKOMHRHPBJUMFA-JTQLQIEISA-N 0 1 278.312 0.827 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCNC[C@@H]1C ZINC000125807984 187200916 /nfs/dbraw/zinc/20/09/16/187200916.db2.gz ZBEBQKUOJHQDNK-QMMMGPOBSA-N 0 1 264.285 0.732 20 5 CCBDMN CN1CCN(CCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413042145 529772266 /nfs/dbraw/zinc/77/22/66/529772266.db2.gz YEKOVANVXMVQLG-UHFFFAOYSA-N 0 1 283.307 0.788 20 5 CCBDMN C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000118494416 349903516 /nfs/dbraw/zinc/90/35/16/349903516.db2.gz HPXCGPGJCPOINK-QMMMGPOBSA-N 0 1 280.284 0.377 20 5 CCBDMN C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000118494416 349903517 /nfs/dbraw/zinc/90/35/17/349903517.db2.gz HPXCGPGJCPOINK-QMMMGPOBSA-N 0 1 280.284 0.377 20 5 CCBDMN C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000118494416 349903521 /nfs/dbraw/zinc/90/35/21/349903521.db2.gz HPXCGPGJCPOINK-QMMMGPOBSA-N 0 1 280.284 0.377 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000330378235 232018734 /nfs/dbraw/zinc/01/87/34/232018734.db2.gz FVRLHFQOFFKIJA-NKWVEPMBSA-N 0 1 254.246 0.473 20 5 CCBDMN C[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N(C)C ZINC000602139168 362519421 /nfs/dbraw/zinc/51/94/21/362519421.db2.gz DHRJXFYSTLPZGX-SNVBAGLBSA-N 0 1 295.343 0.905 20 5 CCBDMN C[C@@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CNCCO1 ZINC000602440085 362619370 /nfs/dbraw/zinc/61/93/70/362619370.db2.gz NRGYUKPCRWVKBQ-ZDUSSCGKSA-N 0 1 279.296 0.590 20 5 CCBDMN C[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CNCCO1 ZINC000602441882 362620273 /nfs/dbraw/zinc/62/02/73/362620273.db2.gz ZUOPTNNGRZXAFN-ZDUSSCGKSA-N 0 1 279.296 0.590 20 5 CCBDMN Cn1cc(CN2C[C@@H]3CCC[C@]3(CO)C2)c([N+](=O)[O-])n1 ZINC000602724311 362771749 /nfs/dbraw/zinc/77/17/49/362771749.db2.gz MRLVDUJWTBSFTI-WCQYABFASA-N 0 1 280.328 0.923 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCN(CCO)[C@@H](C)C1 ZINC000602813228 362813474 /nfs/dbraw/zinc/81/34/74/362813474.db2.gz VSRXGUSTDONTEG-NSHDSACASA-N 0 1 297.359 0.098 20 5 CCBDMN C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000086468549 136795078 /nfs/dbraw/zinc/79/50/78/136795078.db2.gz SGXVQYICLRXRSF-NXEZZACHSA-N 0 1 299.352 0.966 20 5 CCBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C[C@H](C)O ZINC000343961241 137170640 /nfs/dbraw/zinc/17/06/40/137170640.db2.gz SZRVKHBGHVFEJF-RQJHMYQMSA-N 0 1 256.262 0.455 20 5 CCBDMN NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343407127 137132930 /nfs/dbraw/zinc/13/29/30/137132930.db2.gz VYNWKXBCBRXOEL-RNFRBKRXSA-N 0 1 281.272 0.092 20 5 CCBDMN O=C(NCCC1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000343414442 137132994 /nfs/dbraw/zinc/13/29/94/137132994.db2.gz UPEMFMAEOJKTDF-UHFFFAOYSA-N 0 1 268.273 0.864 20 5 CCBDMN CCCN1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000007124269 348006418 /nfs/dbraw/zinc/00/64/18/348006418.db2.gz ZGJATVJASYPUEP-UHFFFAOYSA-N 0 1 253.306 0.860 20 5 CCBDMN CCN1C[C@@H](C)N(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1C ZINC000345168394 137237791 /nfs/dbraw/zinc/23/77/91/137237791.db2.gz FIUGBUGBICAETE-DTWKUNHWSA-N 0 1 280.332 0.716 20 5 CCBDMN COC(=O)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@H]1C ZINC000347219644 137326025 /nfs/dbraw/zinc/32/60/25/137326025.db2.gz IPUFHMJZGJMMCI-JGVFFNPUSA-N 0 1 296.283 0.650 20 5 CCBDMN Cc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000347928191 137364231 /nfs/dbraw/zinc/36/42/31/137364231.db2.gz UZQKHPWVASCXTP-SNVBAGLBSA-N 0 1 293.327 0.935 20 5 CCBDMN NC(=O)c1ccc(CN2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000049933668 348461630 /nfs/dbraw/zinc/46/16/30/348461630.db2.gz IFSQWGUZQXYRTF-SNVBAGLBSA-N 0 1 293.323 0.898 20 5 CCBDMN CC(C)(O)CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000070938042 348899905 /nfs/dbraw/zinc/89/99/05/348899905.db2.gz VOBOWZNIZKACGH-UHFFFAOYSA-N 0 1 280.328 0.883 20 5 CCBDMN C[C@@H]1C[C@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000124099725 350089122 /nfs/dbraw/zinc/08/91/22/350089122.db2.gz FYRIOUWBMOACEX-GHMZBOCLSA-N 0 1 295.343 0.732 20 5 CCBDMN O=C(N[C@H]1CC[C@H](CO)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000161857543 350730046 /nfs/dbraw/zinc/73/00/46/350730046.db2.gz QNJHZMDYIGWLMT-OCAPTIKFSA-N 0 1 268.273 0.599 20 5 CCBDMN CC1(C)[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000163863957 350774157 /nfs/dbraw/zinc/77/41/57/350774157.db2.gz VSRHTLUNFGRLRB-JUWDTYFHSA-N 0 1 280.284 0.861 20 5 CCBDMN COC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000164803150 350782948 /nfs/dbraw/zinc/78/29/48/350782948.db2.gz NUPWCSGKQSVWOJ-SSDOTTSWSA-N 0 1 254.246 0.473 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)CN(C)C ZINC000170762290 350858882 /nfs/dbraw/zinc/85/88/82/350858882.db2.gz HTYMIVMHFWUCDG-UHFFFAOYSA-N 0 1 267.285 0.781 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CCCC(=O)OC)c1[N+](=O)[O-] ZINC000171803168 350935046 /nfs/dbraw/zinc/93/50/46/350935046.db2.gz PAAGSVIOFOTNQY-UHFFFAOYSA-N 0 1 298.299 0.906 20 5 CCBDMN NC(=O)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000173012715 351021888 /nfs/dbraw/zinc/02/18/88/351021888.db2.gz CYSHKYKORALTQO-UHFFFAOYSA-N 0 1 277.240 0.076 20 5 CCBDMN C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1nnc[nH]1 ZINC000183613706 351384900 /nfs/dbraw/zinc/38/49/00/351384900.db2.gz RMHUCGQWSGIMPF-LURJTMIESA-N 0 1 277.244 0.991 20 5 CCBDMN CO[C@@](C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000291445625 198024193 /nfs/dbraw/zinc/02/41/93/198024193.db2.gz KSTSGPYYYNBUJX-NSHDSACASA-N 0 1 268.273 0.863 20 5 CCBDMN C[NH+](C)C[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000189563169 351689128 /nfs/dbraw/zinc/68/91/28/351689128.db2.gz MRBHVAFLFFWHBJ-SECBINFHSA-N 0 1 294.311 0.719 20 5 CCBDMN CCNC(=O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122219429 187021704 /nfs/dbraw/zinc/02/17/04/187021704.db2.gz PMLQLNPRBNOCTD-UHFFFAOYSA-N 0 1 291.267 0.337 20 5 CCBDMN C[NH2+]CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122957336 187062127 /nfs/dbraw/zinc/06/21/27/187062127.db2.gz XWBRJXAVTTXDRV-UHFFFAOYSA-N 0 1 291.304 0.622 20 5 CCBDMN CC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000194641493 351879134 /nfs/dbraw/zinc/87/91/34/351879134.db2.gz RESOLPUFWDUIHF-VIFPVBQESA-N 0 1 294.311 0.910 20 5 CCBDMN CC[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000194641493 351879136 /nfs/dbraw/zinc/87/91/36/351879136.db2.gz RESOLPUFWDUIHF-VIFPVBQESA-N 0 1 294.311 0.910 20 5 CCBDMN O=C(NC[C@H]1COC2(CCCC2)O1)c1n[nH]cc1[N+](=O)[O-] ZINC000271537626 191199262 /nfs/dbraw/zinc/19/92/62/191199262.db2.gz JMQFPLDEBXEQHR-QMMMGPOBSA-N 0 1 296.283 0.733 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000270074255 352901510 /nfs/dbraw/zinc/90/15/10/352901510.db2.gz KCKROBYPXWXWFC-RKDXNWHRSA-N 0 1 282.300 0.859 20 5 CCBDMN CCc1nnc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])[nH]1 ZINC000270740554 352976033 /nfs/dbraw/zinc/97/60/33/352976033.db2.gz CGLVQJHGFGSSQS-YFKPBYRVSA-N 0 1 279.260 0.489 20 5 CCBDMN CCc1nc([C@H](C)NC(=O)c2[nH]ncc2[N+](=O)[O-])n[nH]1 ZINC000270740554 352976037 /nfs/dbraw/zinc/97/60/37/352976037.db2.gz CGLVQJHGFGSSQS-YFKPBYRVSA-N 0 1 279.260 0.489 20 5 CCBDMN CCc1nc([C@@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000270762597 352980767 /nfs/dbraw/zinc/98/07/67/352980767.db2.gz PBSSNORVUIEHFY-SSDOTTSWSA-N 0 1 293.287 0.349 20 5 CCBDMN NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270797965 352987142 /nfs/dbraw/zinc/98/71/42/352987142.db2.gz NCVCBBCWXHFMDL-NKWVEPMBSA-N 0 1 281.272 0.092 20 5 CCBDMN O=C1CCCN1[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000270487097 352938872 /nfs/dbraw/zinc/93/88/72/352938872.db2.gz AIGZBKCRSHSTRE-LLVKDONJSA-N 0 1 293.327 0.488 20 5 CCBDMN C[C@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC[C@H]1O ZINC000270863697 352997586 /nfs/dbraw/zinc/99/75/86/352997586.db2.gz IOAMBQBWGFUNAM-BXKDBHETSA-N 0 1 282.300 0.989 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](CO)C1 ZINC000272638692 353081585 /nfs/dbraw/zinc/08/15/85/353081585.db2.gz CYNGBGWKCNGRKD-MRVPVSSYSA-N 0 1 266.253 0.755 20 5 CCBDMN O=C(NC[C@@H]1CSCCS1)c1n[nH]cc1[N+](=O)[O-] ZINC000152649498 188034956 /nfs/dbraw/zinc/03/49/56/188034956.db2.gz NLDLCFUCBLVOIA-ZCFIWIBFSA-N 0 1 288.354 0.896 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1CO ZINC000275094404 353184408 /nfs/dbraw/zinc/18/44/08/353184408.db2.gz ARELDGPCWZJTDP-VIFPVBQESA-N 0 1 266.253 0.897 20 5 CCBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@](O)(C(N)=O)C1 ZINC000286129942 353563810 /nfs/dbraw/zinc/56/38/10/353563810.db2.gz JYKYCYNBZRPSHH-IINYFYTJSA-N 0 1 293.323 0.968 20 5 CCBDMN Cc1nc([C@@H](C)Nc2c([N+](=O)[O-])ncn2C)n[nH]1 ZINC000286269527 353573300 /nfs/dbraw/zinc/57/33/00/353573300.db2.gz FNLNBHIXNVBDLS-RXMQYKEDSA-N 0 1 251.250 0.928 20 5 CCBDMN C[C@@H](NCCS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293649039 353826827 /nfs/dbraw/zinc/82/68/27/353826827.db2.gz ILSUIHPDRIDLJT-MRVPVSSYSA-N 0 1 287.341 0.872 20 5 CCBDMN CCC[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])OC ZINC000295549167 353902256 /nfs/dbraw/zinc/90/22/56/353902256.db2.gz YLRIJUWEDFJHBI-SSDOTTSWSA-N 0 1 256.262 0.863 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCN(CC3CC3)CC2)c1[N+](=O)[O-] ZINC000299524384 354024766 /nfs/dbraw/zinc/02/47/66/354024766.db2.gz JYNAKIGBNRKWRQ-UHFFFAOYSA-N 0 1 293.327 0.794 20 5 CCBDMN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1nn[nH]n1 ZINC000531824970 358484105 /nfs/dbraw/zinc/48/41/05/358484105.db2.gz QMQULTYWFQVSKC-MRVPVSSYSA-N 0 1 293.287 0.718 20 5 CCBDMN COCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531883200 358486457 /nfs/dbraw/zinc/48/64/57/358486457.db2.gz DTCNPGWPTUUIJD-JTQLQIEISA-N 0 1 294.311 0.440 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1CN1CC[NH+](CCO)CC1 ZINC000331168250 354476460 /nfs/dbraw/zinc/47/64/60/354476460.db2.gz HIXKBUSKAYSYEE-UHFFFAOYSA-N 0 1 281.312 0.410 20 5 CCBDMN CN1CC2(C1)CCN(C(=O)c1c(N)cccc1[N+](=O)[O-])C2 ZINC000619251597 366224637 /nfs/dbraw/zinc/22/46/37/366224637.db2.gz DFLYVZUKXLDRHH-UHFFFAOYSA-N 0 1 290.323 0.955 20 5 CCBDMN O=C1NCCC[C@H]1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331387322 354559780 /nfs/dbraw/zinc/55/97/80/354559780.db2.gz LBHKORPILLBYDZ-LLVKDONJSA-N 0 1 293.327 0.707 20 5 CCBDMN O=C(NN1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272583964 191803176 /nfs/dbraw/zinc/80/31/76/191803176.db2.gz OMNHVSGTBVQKGR-UHFFFAOYSA-N 0 1 267.241 0.277 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CC(N(C)C)C2)n1 ZINC000427683588 235375553 /nfs/dbraw/zinc/37/55/53/235375553.db2.gz WTHQZMSZYMKMAG-UHFFFAOYSA-N 0 1 267.289 0.197 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000352818409 356088758 /nfs/dbraw/zinc/08/87/58/356088758.db2.gz LFVFPPFGSUJLCH-POYBYMJQSA-N 0 1 295.299 0.352 20 5 CCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000360767485 138010212 /nfs/dbraw/zinc/01/02/12/138010212.db2.gz VAXRIKFFMUGPCC-UHFFFAOYSA-N 0 1 287.239 0.852 20 5 CCBDMN CCN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000610336477 363551747 /nfs/dbraw/zinc/55/17/47/363551747.db2.gz OKYOCXMRZNBYQL-WCQYABFASA-N 0 1 297.359 0.178 20 5 CCBDMN CN1CCC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000619786303 366352584 /nfs/dbraw/zinc/35/25/84/366352584.db2.gz OJAAPLUKOFSLRU-SSDOTTSWSA-N 0 1 253.262 0.142 20 5 CCBDMN CN1CCC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000619786304 366353267 /nfs/dbraw/zinc/35/32/67/366353267.db2.gz OJAAPLUKOFSLRU-ZETCQYMHSA-N 0 1 253.262 0.142 20 5 CCBDMN COCCN1CCC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000619787497 366353531 /nfs/dbraw/zinc/35/35/31/366353531.db2.gz RHMPKVAUKZFECJ-VIFPVBQESA-N 0 1 297.315 0.159 20 5 CCBDMN Cc1nn(CCC(=O)NCc2c[nH]nn2)c(C)c1[N+](=O)[O-] ZINC000610486840 363566626 /nfs/dbraw/zinc/56/66/26/363566626.db2.gz JIBRZNOADXVFBZ-UHFFFAOYSA-N 0 1 293.287 0.233 20 5 CCBDMN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1C ZINC000408072200 357903428 /nfs/dbraw/zinc/90/34/28/357903428.db2.gz NAOGARXFCCYALM-JGVFFNPUSA-N 0 1 267.289 0.530 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000573060850 358934155 /nfs/dbraw/zinc/93/41/55/358934155.db2.gz FTXOLSYEIQRKGR-UHFFFAOYSA-N 0 1 290.283 0.859 20 5 CCBDMN CCNC(=O)CN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000610919840 363631395 /nfs/dbraw/zinc/63/13/95/363631395.db2.gz JRESTLVCCXVTJJ-UHFFFAOYSA-N 0 1 297.315 0.649 20 5 CCBDMN CN1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])nc3)C[C@H]21 ZINC000585781926 359272695 /nfs/dbraw/zinc/27/26/95/359272695.db2.gz DQHONGNMMOQGRI-NEPJUHHUSA-N 0 1 278.312 0.899 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCN([C@H]3CCOC3)CC2)n1 ZINC000611140129 363664381 /nfs/dbraw/zinc/66/43/81/363664381.db2.gz VEHRNSRACUUZJY-LBPRGKRZSA-N 0 1 295.343 0.198 20 5 CCBDMN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCNCC1 ZINC000563146045 291199003 /nfs/dbraw/zinc/19/90/03/291199003.db2.gz MDCJTCJDTKUCDU-UHFFFAOYSA-N 0 1 250.258 0.222 20 5 CCBDMN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@H]1[NH3+] ZINC000592330531 359818357 /nfs/dbraw/zinc/81/83/57/359818357.db2.gz BVDYHHMQJQQEBI-GZMMTYOYSA-N 0 1 294.311 0.895 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592247879 359805130 /nfs/dbraw/zinc/80/51/30/359805130.db2.gz PSNKCUXEKNVJAE-KCJUWKMLSA-N 0 1 292.295 0.519 20 5 CCBDMN O=[N+]([O-])c1cnn(Cc2nc([C@@H]3CCCN3)no2)c1 ZINC000592357363 359825020 /nfs/dbraw/zinc/82/50/20/359825020.db2.gz YKIZMQKIZRRTRA-QMMMGPOBSA-N 0 1 264.245 0.647 20 5 CCBDMN CN1CCC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000611201634 363679685 /nfs/dbraw/zinc/67/96/85/363679685.db2.gz HKQBELBPQPVYAW-ZETCQYMHSA-N 0 1 253.262 0.142 20 5 CCBDMN COCCN1CCC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000611204235 363680778 /nfs/dbraw/zinc/68/07/78/363680778.db2.gz GOJKZLDLSJWNPE-VIFPVBQESA-N 0 1 297.315 0.159 20 5 CCBDMN CCCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592829705 359947565 /nfs/dbraw/zinc/94/75/65/359947565.db2.gz VUCXRCOFSJKLGZ-SNVBAGLBSA-N 0 1 295.343 0.885 20 5 CCBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000593288023 360061091 /nfs/dbraw/zinc/06/10/91/360061091.db2.gz FQNSUBLGHAJCRR-VIFPVBQESA-N 0 1 256.262 0.586 20 5 CCBDMN C[C@H](COCC1CC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000593859070 360178231 /nfs/dbraw/zinc/17/82/31/360178231.db2.gz NOYRGPWWCAONMW-SSDOTTSWSA-N 0 1 268.273 0.863 20 5 CCBDMN Cc1noc(CN(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])n1 ZINC000594412517 360296205 /nfs/dbraw/zinc/29/62/05/360296205.db2.gz TUPFBNJBVNTZDF-UHFFFAOYSA-N 0 1 280.244 0.590 20 5 CCBDMN CO[C@](C)(CO)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000594400829 360293578 /nfs/dbraw/zinc/29/35/78/360293578.db2.gz ZPEMDPMSEXMLKC-LBPRGKRZSA-N 0 1 284.268 0.428 20 5 CCBDMN O=[N+]([O-])c1cnccc1NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594590047 360336587 /nfs/dbraw/zinc/33/65/87/360336587.db2.gz QVQKOWLQPBUWOI-JTQLQIEISA-N 0 1 290.283 0.993 20 5 CCBDMN CC(C)OC[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000595254128 360460303 /nfs/dbraw/zinc/46/03/03/360460303.db2.gz TZBQKFHVCWBPRC-NSHDSACASA-N 0 1 281.312 0.963 20 5 CCBDMN COC(=O)[C@](C)(CO)NCc1cc(O)ccc1[N+](=O)[O-] ZINC000595530961 360566504 /nfs/dbraw/zinc/56/65/04/360566504.db2.gz CAAJEQIULNYGRA-LBPRGKRZSA-N 0 1 284.268 0.314 20 5 CCBDMN CO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C(=O)[O-])C1 ZINC000563457351 291232290 /nfs/dbraw/zinc/23/22/90/291232290.db2.gz ZXRSETYCQNCHJN-WDEREUQCSA-N 0 1 298.299 0.355 20 5 CCBDMN CC(C)[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000595949983 360727507 /nfs/dbraw/zinc/72/75/07/360727507.db2.gz IFQCBKGEZRXHJH-SNVBAGLBSA-N 0 1 282.300 0.799 20 5 CCBDMN O=C(CCNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCCCC1 ZINC000179538777 189200946 /nfs/dbraw/zinc/20/09/46/189200946.db2.gz FLWNRXORUPNUKS-UHFFFAOYSA-N 0 1 295.299 0.450 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOCCN1 ZINC000597705949 361202508 /nfs/dbraw/zinc/20/25/08/361202508.db2.gz MABGSACHKXEKRJ-UHFFFAOYSA-N 0 1 267.241 0.277 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cnc[nH]2)n1 ZINC000597859003 361270970 /nfs/dbraw/zinc/27/09/70/361270970.db2.gz YYUPBKXCEKEWTK-UHFFFAOYSA-N 0 1 278.272 0.807 20 5 CCBDMN Cc1cc(NCCCc2nc(=O)[nH][nH]2)ncc1[N+](=O)[O-] ZINC000301535901 201053504 /nfs/dbraw/zinc/05/35/04/201053504.db2.gz MNNXJBMTMNNJBY-UHFFFAOYSA-N 0 1 278.272 0.754 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC[C@@]3(O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000598226657 361358929 /nfs/dbraw/zinc/35/89/29/361358929.db2.gz UCVIBQHBUMEEGA-ISVAXAHUSA-N 0 1 294.311 0.867 20 5 CCBDMN O=C(N[C@H]1C[C@H](O)C12CCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000598314753 361388634 /nfs/dbraw/zinc/38/86/34/361388634.db2.gz YSUJAHMCZMAJSA-YUMQZZPRSA-N 0 1 266.257 0.351 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CC[C@H](O)C1 ZINC000599200175 361608773 /nfs/dbraw/zinc/60/87/73/361608773.db2.gz ZLFCLRQFCRSVEH-JTQLQIEISA-N 0 1 283.332 0.598 20 5 CCBDMN Cc1cnc(N2CCn3c(n[nH]c3=O)C2)c([N+](=O)[O-])c1 ZINC000613430494 364248548 /nfs/dbraw/zinc/24/85/48/364248548.db2.gz PVCRKQLGKGRIQK-UHFFFAOYSA-N 0 1 276.256 0.616 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](O)CC(F)(F)C2)c1[N+](=O)[O-] ZINC000615908663 365125995 /nfs/dbraw/zinc/12/59/95/365125995.db2.gz UIXMSQRUZGQGJJ-LURJTMIESA-N 0 1 290.226 0.468 20 5 CCBDMN Cc1c(CN2CC[C@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000276485571 193351128 /nfs/dbraw/zinc/35/11/28/193351128.db2.gz UCUKAXPUBFWZNF-CYBMUJFWSA-N 0 1 279.296 0.325 20 5 CCBDMN CC1(O)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000331937621 204313814 /nfs/dbraw/zinc/31/38/14/204313814.db2.gz FZCWKRHJJCTNRA-UHFFFAOYSA-N 0 1 252.226 0.507 20 5 CCBDMN COC(=O)C1(C)CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000425153469 533183884 /nfs/dbraw/zinc/18/38/84/533183884.db2.gz RWROUXFMWAGBQW-UHFFFAOYSA-N 0 1 282.256 0.261 20 5 CCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CCCC2)cc1 ZINC000012141745 388778713 /nfs/dbraw/zinc/77/87/13/388778713.db2.gz NWPJJUPTWDABCJ-UHFFFAOYSA-N 0 1 299.352 0.969 20 5 CCBDMN CN(C)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185760519 388814830 /nfs/dbraw/zinc/81/48/30/388814830.db2.gz YNWROUNHRYQGMO-LLVKDONJSA-N 0 1 299.352 0.919 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000291098118 388917270 /nfs/dbraw/zinc/91/72/70/388917270.db2.gz ZFNTWUDHRNMWKU-ZCFIWIBFSA-N 0 1 256.262 0.333 20 5 CCBDMN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C ZINC000355311690 389058441 /nfs/dbraw/zinc/05/84/41/389058441.db2.gz MRXAGTHVRQUCQX-SNVBAGLBSA-N 0 1 281.316 0.730 20 5 CCBDMN C[N@@H+]1C[C@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192524309 389042893 /nfs/dbraw/zinc/04/28/93/389042893.db2.gz CVEDAUFSOPZRNH-PHIMTYICSA-N 0 1 291.307 0.934 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000264670145 389343625 /nfs/dbraw/zinc/34/36/25/389343625.db2.gz LKZBBFNXKSRWBJ-ZETCQYMHSA-N 0 1 295.299 0.218 20 5 CCBDMN O=[N+]([O-])c1ccc(CN(CCO)CCCO)cc1 ZINC000264638271 389340867 /nfs/dbraw/zinc/34/08/67/389340867.db2.gz UDPBTWAYWLBFFQ-UHFFFAOYSA-N 0 1 254.286 0.772 20 5 CCBDMN Cc1nn(C)c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000153434107 389300460 /nfs/dbraw/zinc/30/04/60/389300460.db2.gz OYIBVXIEYVCSJT-OCAPTIKFSA-N 0 1 281.316 0.459 20 5 CCBDMN COC(=O)[C@H](CC(C)C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159696981 389371606 /nfs/dbraw/zinc/37/16/06/389371606.db2.gz JALKNOCVUIKCCE-ZETCQYMHSA-N 0 1 284.272 0.635 20 5 CCBDMN CCOC(=O)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159686229 389371702 /nfs/dbraw/zinc/37/17/02/389371702.db2.gz VWRCEJAGKLQYOH-UHFFFAOYSA-N 0 1 270.245 0.391 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000159763371 389373191 /nfs/dbraw/zinc/37/31/91/389373191.db2.gz VYNUBIMQFPJWHA-POYBYMJQSA-N 0 1 254.246 0.615 20 5 CCBDMN CC(C)(C)OC(=O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159840702 389374794 /nfs/dbraw/zinc/37/47/94/389374794.db2.gz RRIFGFCBJMXFHS-UHFFFAOYSA-N 0 1 270.245 0.389 20 5 CCBDMN C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000422829951 389485293 /nfs/dbraw/zinc/48/52/93/389485293.db2.gz VERRACPMPLANFA-DTORHVGOSA-N 0 1 278.312 0.999 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000351913618 389712959 /nfs/dbraw/zinc/71/29/59/389712959.db2.gz UVONGIOXVHFIDY-APPZFPTMSA-N 0 1 282.300 0.723 20 5 CCBDMN Cc1nc(=NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n(C)[nH]1 ZINC000352293930 389785769 /nfs/dbraw/zinc/78/57/69/389785769.db2.gz OUQZFYJUFQQIPC-UHFFFAOYSA-N 0 1 277.240 0.412 20 5 CCBDMN C[NH+](C)C1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000416307434 389731265 /nfs/dbraw/zinc/73/12/65/389731265.db2.gz LAJXFIJBMYQAPC-UHFFFAOYSA-N 0 1 280.284 0.519 20 5 CCBDMN C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)[C@H](C)CN1C ZINC000408069003 389824042 /nfs/dbraw/zinc/82/40/42/389824042.db2.gz ZSEHYTYQZZOYAQ-RKDXNWHRSA-N 0 1 253.306 0.857 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2C[C@H](O)[C@@H](O)C2)c1 ZINC000444716948 389915321 /nfs/dbraw/zinc/91/53/21/389915321.db2.gz QRKXCZPQDKOENL-RYUDHWBXSA-N 0 1 268.269 0.011 20 5 CCBDMN O=c1c2ccccc2n(Cc2nn[nH]n2)cc1[N+](=O)[O-] ZINC000487882537 390090129 /nfs/dbraw/zinc/09/01/29/390090129.db2.gz ULNKJGDEQYFSEC-UHFFFAOYSA-N 0 1 272.224 0.471 20 5 CCBDMN CCc1nc(CSc2ncc([N+](=O)[O-])c(N)n2)n[nH]1 ZINC000583883536 390321307 /nfs/dbraw/zinc/32/13/07/390321307.db2.gz UIQDOSYXDOVSTN-UHFFFAOYSA-N 0 1 281.301 0.770 20 5 CCBDMN CNc1nccc(C(=O)N2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000578375827 390881156 /nfs/dbraw/zinc/88/11/56/390881156.db2.gz INXYUYIJDITCMD-UHFFFAOYSA-N 0 1 293.327 0.231 20 5 CCBDMN CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000341780261 130041193 /nfs/dbraw/zinc/04/11/93/130041193.db2.gz OBSNGTBSTMPXPZ-JTQLQIEISA-N 0 1 281.316 0.344 20 5 CCBDMN COC(=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269142213 132120242 /nfs/dbraw/zinc/12/02/42/132120242.db2.gz NTSILUDGYIOUNB-UHFFFAOYSA-N 0 1 268.225 0.593 20 5 CCBDMN O=C(N[C@H]1CCCNC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356543226 144013013 /nfs/dbraw/zinc/01/30/13/144013013.db2.gz BXVDUEKLEVNNCT-JTQLQIEISA-N 0 1 279.252 0.309 20 5 CCBDMN O=C(NC[C@@H](O)[C@@H]1CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356584143 144016290 /nfs/dbraw/zinc/01/62/90/144016290.db2.gz WBPBETPDRSYOEQ-PRHODGIISA-N 0 1 296.279 0.428 20 5 CCBDMN C[C@H]1[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCCN1C ZINC000357474182 144094564 /nfs/dbraw/zinc/09/45/64/144094564.db2.gz LQJJUVPWIVQGMM-WPRPVWTQSA-N 0 1 293.327 0.983 20 5 CCBDMN CNC(=O)[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000357598556 144102948 /nfs/dbraw/zinc/10/29/48/144102948.db2.gz LBJLTJSXRSGXRB-ZCFIWIBFSA-N 0 1 283.288 0.080 20 5 CCBDMN C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H](C)N1C ZINC000358692880 144173253 /nfs/dbraw/zinc/17/32/53/144173253.db2.gz YQMVBKQEPQFZDQ-RKDXNWHRSA-N 0 1 294.311 0.860 20 5 CCBDMN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000372748804 144380026 /nfs/dbraw/zinc/38/00/26/144380026.db2.gz LIABFRHWYOKFPC-DLOVCJGASA-N 0 1 293.327 0.377 20 5 CCBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H](C)N1CCO ZINC000450793529 274370143 /nfs/dbraw/zinc/37/01/43/274370143.db2.gz PZOZMQKKFCQHSM-AOOOYVTPSA-N 0 1 281.316 0.276 20 5 CCBDMN C[C@H]1[C@H](C)N(c2nccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000357479010 280112569 /nfs/dbraw/zinc/11/25/69/280112569.db2.gz NTVIKUDLBMPZTQ-IUCAKERBSA-N 0 1 293.327 0.618 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ncccc2F)c1 ZINC000583139040 329325703 /nfs/dbraw/zinc/32/57/03/329325703.db2.gz SULHFNSFSZMWMI-JTQLQIEISA-N 0 1 295.274 0.476 20 5 CCBDMN Cn1nc([N+](=O)[O-])cc1-c1nc(C2(N)CCC2)no1 ZINC000581429092 336076048 /nfs/dbraw/zinc/07/60/48/336076048.db2.gz UOLOVFIOXWBAPS-UHFFFAOYSA-N 0 1 264.245 0.716 20 5 CCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000358174186 534827576 /nfs/dbraw/zinc/82/75/76/534827576.db2.gz XUUYEQSFAXOFPL-ZETCQYMHSA-N 0 1 290.283 0.339 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(Cn2ccnn2)CC1 ZINC000372198833 526506939 /nfs/dbraw/zinc/50/69/39/526506939.db2.gz AALNVNHFFVZFDF-GHMZBOCLSA-N 0 1 279.300 0.182 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)c2ccc([N+](=O)[O-])n2C)n1 ZINC000354483305 526825487 /nfs/dbraw/zinc/82/54/87/526825487.db2.gz WLRUYSKNGJWBHH-UHFFFAOYSA-N 0 1 278.272 0.332 20 5 CCBDMN CC(C)NC(=O)[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000412856217 529144099 /nfs/dbraw/zinc/14/40/99/529144099.db2.gz MXWDSCULVJGBJA-MRVPVSSYSA-N 0 1 295.295 0.943 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000269106856 535998799 /nfs/dbraw/zinc/99/87/99/535998799.db2.gz QMORAJCDWAMWHK-QMMMGPOBSA-N 0 1 282.300 0.725 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCOCC2)c1[N+](=O)[O-] ZINC000263759566 536000424 /nfs/dbraw/zinc/00/04/24/536000424.db2.gz UEMCQXGJUANBNF-UHFFFAOYSA-N 0 1 254.246 0.353 20 5 CCBDMN CN(CCNC(=O)c1n[nH]cc1[N+](=O)[O-])CC(F)(F)F ZINC000343487476 536386279 /nfs/dbraw/zinc/38/62/79/536386279.db2.gz SGGSCZZXKZCMLI-UHFFFAOYSA-N 0 1 295.221 0.542 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCc3n[nH]nc3C2)c1 ZINC000788469005 581112624 /nfs/dbraw/zinc/11/26/24/581112624.db2.gz NACAPFWPMCSIMV-CYBMUJFWSA-N 0 1 289.295 0.805 20 5 CCBDMN Cc1nc(COC(=O)Cn2cc([N+](=O)[O-])nc2C)n[nH]1 ZINC000795352935 581404632 /nfs/dbraw/zinc/40/46/32/581404632.db2.gz ARLXPHIAWNNMCN-UHFFFAOYSA-N 0 1 280.244 0.270 20 5 CCBDMN Cc1cc(C(=O)NCc2nnc[nH]2)c(N)c([N+](=O)[O-])c1 ZINC000729524626 581602196 /nfs/dbraw/zinc/60/21/96/581602196.db2.gz IKVCEOGNTBUMDJ-UHFFFAOYSA-N 0 1 276.256 0.534 20 5 CCBDMN O=C([O-])NC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000832534711 603996197 /nfs/dbraw/zinc/99/61/97/603996197.db2.gz ZCERJXUKAAZDRH-JTQLQIEISA-N 0 1 297.315 0.771 20 5 CCBDMN CS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000107645262 617188974 /nfs/dbraw/zinc/18/89/74/617188974.db2.gz SWJJQHSDUBPKCP-NXEZZACHSA-N 0 1 284.293 0.694 20 5 CCBDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000833834326 605887870 /nfs/dbraw/zinc/88/78/70/605887870.db2.gz NHNZPAWZSCTPPF-ZJUUUORDSA-N 0 1 297.315 0.769 20 5 CCBDMN CC(C)[C@@H](C(=O)OCCn1cnc([N+](=O)[O-])n1)N(C)C ZINC000798836628 614079842 /nfs/dbraw/zinc/07/98/42/614079842.db2.gz GOOYXRCYPZIEKF-VIFPVBQESA-N 0 1 285.304 0.316 20 5 CCBDMN COc1ccc([C@@H](CCO)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839716481 617278737 /nfs/dbraw/zinc/27/87/37/617278737.db2.gz PISDOGMDXHFYLK-JHJVBQTASA-N 0 1 294.307 0.900 20 5 CCBDMN C/C=C(\C)C(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954240264 613135158 /nfs/dbraw/zinc/13/51/58/613135158.db2.gz NADFCKHAJVYMFB-FVCIQNSBSA-N 0 1 281.312 0.287 20 5 CCBDMN COc1ccncc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673132 617327529 /nfs/dbraw/zinc/32/75/29/617327529.db2.gz HZKNYGKQGJEJCB-RKDXNWHRSA-N 0 1 252.226 0.799 20 5 CCBDMN CC(C)(C)N1CC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000820748877 613928982 /nfs/dbraw/zinc/92/89/82/613928982.db2.gz YBEYLNIXJWRXGP-IWSPIJDZSA-N 0 1 270.285 0.594 20 5 CCBDMN CC(C)(C)N1CC[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000820748876 613938295 /nfs/dbraw/zinc/93/82/95/613938295.db2.gz YBEYLNIXJWRXGP-HLTSFMKQSA-N 0 1 270.285 0.594 20 5 CCBDMN CC(C)(C)OC(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839724067 613983676 /nfs/dbraw/zinc/98/36/76/613983676.db2.gz MNPUDBGKANAEJZ-NUNSBDKSSA-N 0 1 299.327 0.849 20 5 CCBDMN CC(=O)OCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000798256758 614223419 /nfs/dbraw/zinc/22/34/19/614223419.db2.gz PLYRAQVYSHHKIT-UHFFFAOYSA-N 0 1 292.251 0.764 20 5 CCBDMN CC(C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1(CO)CCC1 ZINC000848122154 614235512 /nfs/dbraw/zinc/23/55/12/614235512.db2.gz PKMZRJQOKKVUBO-MXWKQRLJSA-N 0 1 270.329 0.955 20 5 CCBDMN CC(C)c1nc(Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000829834290 614319472 /nfs/dbraw/zinc/31/94/72/614319472.db2.gz SRQNOTFYNQCTKU-UHFFFAOYSA-N 0 1 281.232 0.989 20 5 CCBDMN CC(C)N1CCO[C@@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842334189 614363364 /nfs/dbraw/zinc/36/33/64/614363364.db2.gz PFBSOTYJIZOJAU-GMTAPVOTSA-N 0 1 272.301 0.304 20 5 CCBDMN CC(F)(F)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000972891736 614394464 /nfs/dbraw/zinc/39/44/64/614394464.db2.gz OLHRVDPBYDSJQG-WCTZXXKLSA-N 0 1 291.254 0.070 20 5 CCBDMN CCCCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000839702104 614928460 /nfs/dbraw/zinc/92/84/60/614928460.db2.gz UCRXXTVBKXVDNW-OPRDCNLKSA-N 0 1 272.301 0.890 20 5 CCBDMN CCN(CC)C(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671981 614986132 /nfs/dbraw/zinc/98/61/32/614986132.db2.gz BKFHOTKHDHMBIK-DJLDLDEBSA-N 0 1 258.274 0.452 20 5 CCBDMN CCNC(=O)C[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000836000150 615052665 /nfs/dbraw/zinc/05/26/65/615052665.db2.gz PYEKRXHIFXDOGU-SSDOTTSWSA-N 0 1 269.257 0.994 20 5 CCBDMN CCOC(CN(CC)C(=O)[C@@H]1CC1[N+](=O)[O-])OCC ZINC000868777439 615202086 /nfs/dbraw/zinc/20/20/86/615202086.db2.gz XXKOJKINUGTOMM-NXEZZACHSA-N 0 1 274.317 0.899 20 5 CCBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000839765462 615560091 /nfs/dbraw/zinc/56/00/91/615560091.db2.gz SAZGHIPJSJUHFU-ZYUZMQFOSA-N 0 1 290.341 0.076 20 5 CCBDMN CCc1nc([C@H](C)OC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000849677220 615756764 /nfs/dbraw/zinc/75/67/64/615756764.db2.gz SRSCMBNWKAYPKE-ZETCQYMHSA-N 0 1 294.271 0.776 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@H]2C)n1 ZINC000928444475 616014895 /nfs/dbraw/zinc/01/48/95/616014895.db2.gz SXKSGYNXKJSSBG-IUCAKERBSA-N 0 1 281.316 0.634 20 5 CCBDMN CN(CC(=O)Nc1c[nH]nn1)c1ccccc1[N+](=O)[O-] ZINC000819489528 616049552 /nfs/dbraw/zinc/04/95/52/616049552.db2.gz ZMMNASQOHHXGDB-UHFFFAOYSA-N 0 1 276.256 0.788 20 5 CCBDMN CN(C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)C(=O)[O-] ZINC000828260668 616139029 /nfs/dbraw/zinc/13/90/29/616139029.db2.gz VRYSQSGJAPMLCG-JTQLQIEISA-N 0 1 297.315 0.723 20 5 CCBDMN CN1c2ccccc2C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000855343793 616159481 /nfs/dbraw/zinc/15/94/81/616159481.db2.gz PXXTXQIJXSNVAM-CKYFFXLPSA-N 0 1 289.291 0.356 20 5 CCBDMN CN1C[C@@H](O)C[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000924983438 616306195 /nfs/dbraw/zinc/30/61/95/616306195.db2.gz CGEZTNGVDKIAAY-ZJUUUORDSA-N 0 1 297.286 0.529 20 5 CCBDMN COC(=O)[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000856214109 616470019 /nfs/dbraw/zinc/47/00/19/616470019.db2.gz JUPWYSSJFYBNNR-BZNPZCIMSA-N 0 1 256.258 0.062 20 5 CCBDMN CN1Cc2ccccc2[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000857889186 616515172 /nfs/dbraw/zinc/51/51/72/616515172.db2.gz IMTYWKYARDOOPW-IJLUTSLNSA-N 0 1 289.291 0.481 20 5 CCBDMN CNC(=O)Oc1cccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000851279659 616775410 /nfs/dbraw/zinc/77/54/10/616775410.db2.gz UNONEJWRKZOCOF-NXEZZACHSA-N 0 1 280.236 0.975 20 5 CCBDMN COCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000862428286 616851745 /nfs/dbraw/zinc/85/17/45/616851745.db2.gz OZMNDZVITLUPBS-GHMZBOCLSA-N 0 1 256.302 0.927 20 5 CCBDMN O=C(CC1CCC1)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973981120 625385207 /nfs/dbraw/zinc/38/52/07/625385207.db2.gz GAJOUFJAEXCYNG-WRWGMCAJSA-N 0 1 295.339 0.605 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1cc(F)ccc1[N+](=O)[O-] ZINC000236182874 623476947 /nfs/dbraw/zinc/47/69/47/623476947.db2.gz ZJYBXVZXRUCDGD-VIFPVBQESA-N 0 1 283.259 0.452 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2C2OCCO2)n1 ZINC000933903079 624986953 /nfs/dbraw/zinc/98/69/53/624986953.db2.gz GMODHAAFMHRCPB-SNVBAGLBSA-N 0 1 282.300 0.629 20 5 CCBDMN Cn1cc(CN2CCCCCNC(=O)CC2)c([N+](=O)[O-])n1 ZINC000934153681 625041294 /nfs/dbraw/zinc/04/12/94/625041294.db2.gz KLYUNIJXDRDEMG-UHFFFAOYSA-N 0 1 295.343 0.821 20 5 CCBDMN O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCC1 ZINC000979400552 630923101 /nfs/dbraw/zinc/92/31/01/630923101.db2.gz VNQFSXFHHFPLTR-HJQYOEGKSA-N 0 1 295.339 0.463 20 5 CCBDMN CC(C)=CC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010031010 630961161 /nfs/dbraw/zinc/96/11/61/630961161.db2.gz CERKQZUJMZOVTO-GHMZBOCLSA-N 0 1 281.312 0.289 20 5 CCBDMN O=[N+]([O-])CCNC[C@@H](O)COc1cccc(F)c1 ZINC000905339763 634849374 /nfs/dbraw/zinc/84/93/74/634849374.db2.gz CBPVRZCNYDJKKQ-SNVBAGLBSA-N 0 1 258.249 0.432 20 5 CCBDMN Cc1ncoc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000894343183 631722378 /nfs/dbraw/zinc/72/23/78/631722378.db2.gz AMBLYGUGMROVDH-UHFFFAOYSA-N 0 1 251.246 0.878 20 5 CCBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000163328200 632687528 /nfs/dbraw/zinc/68/75/28/632687528.db2.gz DNXHBKMIAHXNCN-MRVPVSSYSA-N 0 1 298.299 0.837 20 5 CCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCCCC1 ZINC000990092217 633445315 /nfs/dbraw/zinc/44/53/15/633445315.db2.gz KYNGQTUBGGBHEK-VXGBXAGGSA-N 0 1 295.339 0.559 20 5 CCBDMN O=C(NC[C@@H](O)Cc1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000899333844 633804384 /nfs/dbraw/zinc/80/43/84/633804384.db2.gz TUXNPCIWAVRIAC-QJPTWQEYSA-N 0 1 282.271 0.511 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](N2CCC2)C1 ZINC000912921819 636703540 /nfs/dbraw/zinc/70/35/40/636703540.db2.gz GDGHTOAVIJLFPM-JTQLQIEISA-N 0 1 279.300 0.098 20 5 CCBDMN C/C=C(\C)C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001795835 639339843 /nfs/dbraw/zinc/33/98/43/639339843.db2.gz KPBIJPVUQOPJTF-XBFWRGBKSA-N 0 1 281.312 0.192 20 5 CCBDMN C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Cn1cccn1 ZINC000839539669 640342370 /nfs/dbraw/zinc/34/23/70/640342370.db2.gz ROBVUSJATWBOMX-IVZWLZJFSA-N 0 1 252.274 0.301 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000839575687 640343486 /nfs/dbraw/zinc/34/34/86/640343486.db2.gz VXKWQPQCGYTVMC-XLPZGREQSA-N 0 1 257.290 0.071 20 5 CCBDMN O=C(NCCc1cccc(O)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839606031 640345648 /nfs/dbraw/zinc/34/56/48/640345648.db2.gz BTAFLEBRLIZBDY-GHMZBOCLSA-N 0 1 250.254 0.716 20 5 CCBDMN Cn1c(=O)oc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc21 ZINC000839623872 640346112 /nfs/dbraw/zinc/34/61/12/640346112.db2.gz AFNYVCJFRJEOBA-HTQZYQBOSA-N 0 1 277.236 0.735 20 5 CCBDMN C[C@H]1CN=C(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)S1 ZINC000839692537 640349536 /nfs/dbraw/zinc/34/95/36/640349536.db2.gz LASRTQYOVOKMBH-IVZWLZJFSA-N 0 1 298.368 0.287 20 5 CCBDMN O=C(NC[C@@H](O)c1ccccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000839697576 640350926 /nfs/dbraw/zinc/35/09/26/640350926.db2.gz YFDDVNCWDNAZGO-FBIMIBRVSA-N 0 1 268.244 0.641 20 5 CCBDMN O=C(NC[C@]1(O)CCCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839676057 640353041 /nfs/dbraw/zinc/35/30/41/640353041.db2.gz HXPWMWQLWXCKHA-UXIGCNINSA-N 0 1 290.319 0.992 20 5 CCBDMN Cc1cccc(C[C@@H](CO)NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839734649 640354604 /nfs/dbraw/zinc/35/46/04/640354604.db2.gz WGQRSCIYIYGHTR-YNEHKIRRSA-N 0 1 278.308 0.680 20 5 CCBDMN O=C(N[C@@H](CO)C[C@@H](O)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839725518 640357998 /nfs/dbraw/zinc/35/79/98/640357998.db2.gz SAZCMNGTAIMLQO-FDYHWXHSSA-N 0 1 294.307 0.252 20 5 CCBDMN O=C(NCCCO[C@H]1CCCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839749037 640361215 /nfs/dbraw/zinc/36/12/15/640361215.db2.gz BQVMFNOSEUWJBX-MXWKQRLJSA-N 0 1 272.301 0.701 20 5 CCBDMN Cc1ccncc1N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839752679 640361909 /nfs/dbraw/zinc/36/19/09/640361909.db2.gz HAQMVWFWYHKFDB-VXGBXAGGSA-N 0 1 290.323 0.704 20 5 CCBDMN Cn1c(=O)[nH]c2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc21 ZINC000839756940 640362801 /nfs/dbraw/zinc/36/28/01/640362801.db2.gz FNGHRSNAXODKHI-VXNVDRBHSA-N 0 1 276.252 0.883 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](O)C12CCCC2 ZINC000839777594 640365081 /nfs/dbraw/zinc/36/50/81/640365081.db2.gz KGGFLISBZAUCKZ-OPRDCNLKSA-N 0 1 254.286 0.558 20 5 CCBDMN C[C@@H]1[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CC(=O)N1C ZINC000806073676 640458717 /nfs/dbraw/zinc/45/87/17/640458717.db2.gz HSJRFOCHJUZFFP-HTRCEHHLSA-N 0 1 267.241 0.699 20 5 CCBDMN O=C(Nc1ccccc1-n1ccnn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840290935 641039012 /nfs/dbraw/zinc/03/90/12/641039012.db2.gz KKWGWMXAXCCMTE-LDYMZIIASA-N 0 1 273.252 0.871 20 5 CCBDMN Cc1ccnc(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000820748576 641531356 /nfs/dbraw/zinc/53/13/56/641531356.db2.gz UTBIUXFKGPTHHV-PSASIEDQSA-N 0 1 264.237 0.781 20 5 CCBDMN O=C(CN1CCCC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000821076851 641564480 /nfs/dbraw/zinc/56/44/80/641564480.db2.gz OYAMEFNUNXSENU-UHFFFAOYSA-N 0 1 267.289 0.003 20 5 CCBDMN Cn1cc([C@H]2CSCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000840438788 641576937 /nfs/dbraw/zinc/57/69/37/641576937.db2.gz AZCASGNLYYIQBP-GMTAPVOTSA-N 0 1 296.352 0.702 20 5 CCBDMN Cc1ccnc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000823704034 641784585 /nfs/dbraw/zinc/78/45/85/641784585.db2.gz MGHBTYOJYGBAFR-DJLDLDEBSA-N 0 1 250.258 0.627 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](n2ccnn2)CC1 ZINC000824532743 641831570 /nfs/dbraw/zinc/83/15/70/641831570.db2.gz PZUIHIRFILMLKE-GMTAPVOTSA-N 0 1 279.300 0.497 20 5 CCBDMN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCNCC1 ZINC000825668468 641902097 /nfs/dbraw/zinc/90/20/97/641902097.db2.gz PNXWBXQJPOSOTD-UHFFFAOYSA-N 0 1 289.295 0.376 20 5 CCBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC(=O)NC1 ZINC000837443803 642744609 /nfs/dbraw/zinc/74/46/09/642744609.db2.gz LEVDQHFGLFEEHZ-MRVPVSSYSA-N 0 1 294.263 0.870 20 5 CCBDMN O=C(OCc1ccc(CO)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840670258 642784069 /nfs/dbraw/zinc/78/40/69/642784069.db2.gz QANGGLXJIRSOQH-GHMZBOCLSA-N 0 1 251.238 0.887 20 5 CCBDMN O=C(O[C@H]1C[C@H]2CCCC[C@H]2NC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840674940 642786974 /nfs/dbraw/zinc/78/69/74/642786974.db2.gz TTYOJPDOWDVCLX-ILAIQSSSSA-N 0 1 282.296 0.642 20 5 CCBDMN Cc1cc(CC(=O)OCc2cn(C)nc2[N+](=O)[O-])n[nH]1 ZINC000847784355 643554880 /nfs/dbraw/zinc/55/48/80/643554880.db2.gz SXYXNFOMNMTVFK-UHFFFAOYSA-N 0 1 279.256 0.646 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(O)(CO)CC2)cc1 ZINC000852499490 643970925 /nfs/dbraw/zinc/97/09/25/643970925.db2.gz NUVFYFZZQJIIIQ-CYBMUJFWSA-N 0 1 296.323 0.447 20 5 CCBDMN O=c1[nH]ccc(N2CCN(CCCCO)CC2)c1[N+](=O)[O-] ZINC000853373017 644103142 /nfs/dbraw/zinc/10/31/42/644103142.db2.gz IDJLTXMGLPHBFK-UHFFFAOYSA-N 0 1 296.327 0.590 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2=C(CCC(=O)N2)C1 ZINC000855152620 644291894 /nfs/dbraw/zinc/29/18/94/644291894.db2.gz QEBYWMVMOLOHDI-PSASIEDQSA-N 0 1 265.269 0.048 20 5 CCBDMN O=C(NCc1cccnc1N1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000855341748 644305768 /nfs/dbraw/zinc/30/57/68/644305768.db2.gz ULMTXLYQKPXECM-VXGBXAGGSA-N 0 1 290.323 0.963 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cccn2C)n1 ZINC000859044543 644662579 /nfs/dbraw/zinc/66/25/79/644662579.db2.gz BCXFBBCDLGJADC-UHFFFAOYSA-N 0 1 299.312 0.145 20 5 CCBDMN O=C(OCC[C@H]1CCCNC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000861247060 644868299 /nfs/dbraw/zinc/86/82/99/644868299.db2.gz KDJLDKDVAPIMJZ-IWSPIJDZSA-N 0 1 256.258 0.111 20 5 CCBDMN O=C(NC[C@H]1CCC12CCOCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000871587331 646153687 /nfs/dbraw/zinc/15/36/87/646153687.db2.gz TZLDOYHCCLJROJ-GMTAPVOTSA-N 0 1 268.313 0.975 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000887818168 648159225 /nfs/dbraw/zinc/15/92/25/648159225.db2.gz ALCHSNGVNQZAHS-IRCOFANPSA-N 0 1 284.312 0.306 20 5 CCBDMN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cnccn1 ZINC000090539187 649681130 /nfs/dbraw/zinc/68/11/30/649681130.db2.gz APKCOOAQLOIVEJ-SECBINFHSA-N 0 1 262.273 0.932 20 5 CCBDMN CN1CCO[C@@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@@H]21 ZINC001164671302 719371296 /nfs/dbraw/zinc/37/12/96/719371296.db2.gz WFAHFCWMETWHCQ-DTWKUNHWSA-N 0 1 299.718 0.557 20 5 CCBDMN CN1CCO[C@@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@@H]21 ZINC001164669736 719379619 /nfs/dbraw/zinc/37/96/19/719379619.db2.gz ROKPKQBUMGOUGB-VHSXEESVSA-N 0 1 264.285 0.509 20 5 CCBDMN Cc1nc(N2C[C@H]3OCCN(C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164671079 719473146 /nfs/dbraw/zinc/47/31/46/719473146.db2.gz ZLXKJAROGONFSH-WDEREUQCSA-N 0 1 279.300 0.212 20 5 CCBDMN Cc1csc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001267193632 791652740 /nfs/dbraw/zinc/65/27/40/791652740.db2.gz ABAIUCSRGUAJBC-NXEZZACHSA-N 0 1 298.368 0.665 20 5 CCBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCNCC1 ZINC000255190014 793220417 /nfs/dbraw/zinc/22/04/17/793220417.db2.gz UKJMZBXUUPGJPA-UHFFFAOYSA-N 0 1 264.285 0.682 20 5 CCBDMN C[C@H](O)C1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC001152709544 800549392 /nfs/dbraw/zinc/54/93/92/800549392.db2.gz CFDLHLWTCVUEMM-ZETCQYMHSA-N 0 1 290.279 0.924 20 5 CCBDMN Cc1cc(Cl)c([N+](=O)[O-])c(-n2nnnc2CN)n1 ZINC001158074760 801561644 /nfs/dbraw/zinc/56/16/44/801561644.db2.gz KLEZYUPFQUKEIV-UHFFFAOYSA-N 0 1 269.652 0.386 20 5 CCBDMN COc1nc(N2CCN3CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001158424781 801643118 /nfs/dbraw/zinc/64/31/18/801643118.db2.gz IWKWIYSKMLQVEV-MRVPVSSYSA-N 0 1 265.273 0.288 20 5 CCBDMN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NC[C@H]2COCCN2)c1 ZINC001159044562 801750426 /nfs/dbraw/zinc/75/04/26/801750426.db2.gz YAKZTQSXPJIIFR-ZETCQYMHSA-N 0 1 288.691 0.282 20 5 CCBDMN CCN1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001163984628 802645005 /nfs/dbraw/zinc/64/50/05/802645005.db2.gz VBXUDFSCRPDLLA-QMMMGPOBSA-N 0 1 279.300 0.595 20 5 CCBDMN CC[C@@H](O)C(=O)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227096961 805322866 /nfs/dbraw/zinc/32/28/66/805322866.db2.gz VXHAUKGIVMBCCA-SECBINFHSA-N 0 1 293.235 0.920 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1nc(O)cc(=O)[nH]1 ZINC001228388349 805442235 /nfs/dbraw/zinc/44/22/35/805442235.db2.gz HXCFYWROHSXQTG-LURJTMIESA-N 0 1 295.255 0.768 20 5 CCBDMN O=c1[nH]c(=O)c(F)c(O[C@@H](C[N+](=O)[O-])c2cccnc2)[nH]1 ZINC001229126141 805505340 /nfs/dbraw/zinc/50/53/40/805505340.db2.gz WGYXHJQEBBHTCC-ZETCQYMHSA-N 0 1 296.214 0.819 20 5 CCBDMN CS(=O)(=O)c1ccc(OCCNCC[N+](=O)[O-])cc1 ZINC000905099059 815508675 /nfs/dbraw/zinc/50/86/75/815508675.db2.gz YJYLMPPUVCSDSN-UHFFFAOYSA-N 0 1 288.325 0.335 20 5 CCBDMN O=C(NC1CN(Cc2cncc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292476 815960944 /nfs/dbraw/zinc/96/09/44/815960944.db2.gz KTXOAFVBMPEKFA-VXGBXAGGSA-N 0 1 294.286 0.186 20 5 CCBDMN O=C(NC1CN(CCc2ccns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030294015 815962892 /nfs/dbraw/zinc/96/28/92/815962892.db2.gz UOPPSCIMLLNPSR-GHMZBOCLSA-N 0 1 296.352 0.151 20 5 CCBDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCNC[C@@H]1CO ZINC001122207853 816611444 /nfs/dbraw/zinc/61/14/44/816611444.db2.gz IYKIJRVLSJFYKQ-VUUYWXRKSA-N 0 1 291.307 0.401 20 5 CCBDMN CN1C(=O)Cc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc21 ZINC001128624830 818756369 /nfs/dbraw/zinc/75/63/69/818756369.db2.gz GYSLRXNHMZJOHI-MWLCHTKSSA-N 0 1 275.264 0.809 20 5 CCBDMN CCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989265 820127669 /nfs/dbraw/zinc/12/76/69/820127669.db2.gz WXQYTIJBFPLDTR-RKDXNWHRSA-N 0 1 269.301 0.217 20 5 CCBDMN Cc1c(F)cc([N+](=O)[O-])cc1-n1nnnc1CN ZINC001168923446 836056675 /nfs/dbraw/zinc/05/66/75/836056675.db2.gz KDDDURXESPQRKE-UHFFFAOYSA-N 0 1 252.209 0.477 20 5 CCBDMN NCc1nnnn1-c1ccc2ncccc2c1[N+](=O)[O-] ZINC001168924084 836060475 /nfs/dbraw/zinc/06/04/75/836060475.db2.gz HCUBDDZKBCXSTB-UHFFFAOYSA-N 0 1 271.240 0.577 20 5 CCBDMN COc1ncc([N+](=O)[O-])c(NCC2CN(C)C2)n1 ZINC001170252514 837283342 /nfs/dbraw/zinc/28/33/42/837283342.db2.gz PLTXVNIACDJMLX-UHFFFAOYSA-N 0 1 253.262 0.367 20 5 CCBDMN NCc1nnnn1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001158075068 837914196 /nfs/dbraw/zinc/91/41/96/837914196.db2.gz RMVHTOVEPPJMFC-UHFFFAOYSA-N 0 1 271.240 0.577 20 5 CCBDMN Cc1cc(F)cc(C(=O)N(C)c2nn[nH]n2)c1[N+](=O)[O-] ZINC001130972361 837962695 /nfs/dbraw/zinc/96/26/95/837962695.db2.gz WBOIXNFFWQNDRQ-UHFFFAOYSA-N 0 1 280.219 0.832 20 5 CCBDMN CC[C@@](N)(CO)Nc1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001170866716 839467099 /nfs/dbraw/zinc/46/70/99/839467099.db2.gz XEWBMNHGXBGGJR-LBPRGKRZSA-N 0 1 281.316 0.836 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](O)[C@@H](CO)C1 ZINC001171232105 840164089 /nfs/dbraw/zinc/16/40/89/840164089.db2.gz VEYQWPLOYVSLRA-YPMHNXCESA-N 0 1 296.323 0.649 20 5 CCBDMN O=C(Cc1cnc[nH]1)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001094150356 841550585 /nfs/dbraw/zinc/55/05/85/841550585.db2.gz BETJMSSIKUVOIY-UHFFFAOYSA-N 0 1 290.283 0.484 20 5 CCBDMN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)n[nH]1 ZINC000716763264 841677986 /nfs/dbraw/zinc/67/79/86/841677986.db2.gz ZUPCKDDYIKHJGR-UHFFFAOYSA-N 0 1 276.256 0.534 20 5 CCBDMN O=[N+]([O-])c1ncccc1CN1C[C@@H](CO)[C@H](CCO)C1 ZINC001176966247 842471210 /nfs/dbraw/zinc/47/12/10/842471210.db2.gz VNXOUTSVIQKIJE-PWSUYJOCSA-N 0 1 281.312 0.413 20 5 CCBDMN CN1C[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C(C)(C)C1 ZINC001178710165 842911732 /nfs/dbraw/zinc/91/17/32/842911732.db2.gz WMHQGTVJNHXHOL-QMMMGPOBSA-N 0 1 267.289 0.388 20 5 CCBDMN Cc1nnc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC001326096494 913748368 /nfs/dbraw/zinc/74/83/68/913748368.db2.gz GHBXOKVYIONZHH-UHFFFAOYSA-N 0 1 282.285 0.450 20 5 CCBDMN CC1(CC(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001299197746 894412449 /nfs/dbraw/zinc/41/24/49/894412449.db2.gz BEPMOWATSBFMBB-NXEZZACHSA-N 0 1 295.339 0.607 20 5 CCBDMN CC1(C)CC(CC(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001292716875 900958638 /nfs/dbraw/zinc/95/86/38/900958638.db2.gz CCDPSTCZGFNFTC-GHMZBOCLSA-N 0 1 297.355 0.710 20 5 CCBDMN CC(C)CCC(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001285997949 905828748 /nfs/dbraw/zinc/82/87/48/905828748.db2.gz ZEXINYCZDCNZSM-VXGBXAGGSA-N 0 1 297.355 0.757 20 5 CCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1=CCCC1 ZINC001296065530 906860304 /nfs/dbraw/zinc/86/03/04/906860304.db2.gz USOPEZLULKMHBP-GHMZBOCLSA-N 0 1 281.312 0.337 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](O)c1cnc[nH]1 ZINC001307207836 906863918 /nfs/dbraw/zinc/86/39/18/906863918.db2.gz BWMZMXKBQWRJPA-VIFPVBQESA-N 0 1 280.288 0.988 20 5 CCBDMN C[C@H](CCCCO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001298257229 907196544 /nfs/dbraw/zinc/19/65/44/907196544.db2.gz WGKAODCIBHITMS-SSDOTTSWSA-N 0 1 256.262 0.599 20 5 CCBDMN CCOC(=O)[C@H](F)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001298528504 907260888 /nfs/dbraw/zinc/26/08/88/907260888.db2.gz NVKOJZSGSIAUNN-IWSPIJDZSA-N 0 1 274.248 0.011 20 5 CCBDMN Nc1cc([N+](=O)[O-])ccc1C(=O)NC12CCN(CC1)C2 ZINC001302361303 908018838 /nfs/dbraw/zinc/01/88/38/908018838.db2.gz VOBJCPGRTQKELN-UHFFFAOYSA-N 0 1 276.296 0.755 20 5 CCBDMN COC(CNC(=O)[C@@H]1CC1[N+](=O)[O-])(OC)c1ccccn1 ZINC001302760936 908043635 /nfs/dbraw/zinc/04/36/35/908043635.db2.gz SPRCKUBCZRXCBG-NXEZZACHSA-N 0 1 295.295 0.309 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H]2C(=O)OC)c1[N+](=O)[O-] ZINC001304094006 908144553 /nfs/dbraw/zinc/14/45/53/908144553.db2.gz KESRUFRSFAHQSX-SSDOTTSWSA-N 0 1 282.256 0.268 20 5 CCBDMN CCN1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)C[C@H]1C ZINC001338834293 921588162 /nfs/dbraw/zinc/58/81/62/921588162.db2.gz YCWFHNHJKMZGTI-ZJUUUORDSA-N 0 1 282.348 0.683 20 5 CCBDMN C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C(=O)[O-] ZINC001329570649 916019858 /nfs/dbraw/zinc/01/98/58/916019858.db2.gz PWNMAKBOECRYFJ-UWVGGRQHSA-N 0 1 282.300 0.834 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H](c2nc[nH]n2)C1 ZINC001330454950 916637456 /nfs/dbraw/zinc/63/74/56/916637456.db2.gz RKTKOHHULOEROB-LURJTMIESA-N 0 1 277.244 0.066 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](c3nnc[nH]3)C2)c1[N+](=O)[O-] ZINC001330451592 916639631 /nfs/dbraw/zinc/63/96/31/916639631.db2.gz GLUPNQCBNXMBBN-ZETCQYMHSA-N 0 1 291.271 0.374 20 5 CCBDMN O=C([O-])C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC001333571997 919012016 /nfs/dbraw/zinc/01/20/16/919012016.db2.gz OOEBAXAEOCYEJL-LLVKDONJSA-N 0 1 298.299 0.091 20 5 CCBDMN Cc1ncoc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001336589327 920856935 /nfs/dbraw/zinc/85/69/35/920856935.db2.gz FJIGIDXDNOIBCR-UHFFFAOYSA-N 0 1 251.202 0.544 20 5 CCBDMN O=C(O[C@@H]1CCO[C@@H]([C@@H]2CCOC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001343260517 923252381 /nfs/dbraw/zinc/25/23/81/923252381.db2.gz CHVDXEANQNLJDI-LZQZFOIKSA-N 0 1 285.296 0.779 20 5 CCBDMN C/C=C(/C)C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001357710551 926588580 /nfs/dbraw/zinc/58/85/80/926588580.db2.gz SAVDWKVFTHKAMV-UYWPNCIYSA-N 0 1 281.312 0.406 20 5 CCBDMN C[C@H](C(=O)[O-])[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC001602821384 971627061 /nfs/dbraw/zinc/62/70/61/971627061.db2.gz BGEBDHYGCQGCAW-SSDOTTSWSA-N 0 1 268.273 0.766 20 5 CCBDMN O=C([O-])C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CC1 ZINC001595071344 951596099 /nfs/dbraw/zinc/59/60/99/951596099.db2.gz KPQQUULVJKIWIH-UHFFFAOYSA-N 0 1 295.295 0.553 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CC(=O)[O-])c1 ZINC001593886554 955755986 /nfs/dbraw/zinc/75/59/86/955755986.db2.gz ICMLYKBFCMECOZ-UHFFFAOYSA-N 0 1 282.252 0.898 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000062935839 957628719 /nfs/dbraw/zinc/62/87/19/957628719.db2.gz NIFNLYGHDUCBRW-LBPRGKRZSA-N 0 1 282.300 0.896 20 5 CCBDMN C[N@H+]1CC[C@@](O)(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001598585909 993382632 /nfs/dbraw/zinc/38/26/32/993382632.db2.gz LCNVLOUJJIJVGW-GFCCVEGCSA-N 0 1 296.283 0.167 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000124684413 187148563 /nfs/dbraw/zinc/14/85/63/187148563.db2.gz RSPLAYIZJDUOIY-SNVBAGLBSA-N 0 1 279.296 0.794 20 5 CCBDMN O=C(COc1cccc([N+](=O)[O-])c1)NCCN1CCC1 ZINC000337566203 214160336 /nfs/dbraw/zinc/16/03/36/214160336.db2.gz BJNSTKKQKZCAKT-UHFFFAOYSA-N 0 1 279.296 0.796 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C[C@H]2C[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600611633 362022834 /nfs/dbraw/zinc/02/28/34/362022834.db2.gz SHDMEHDQIPCNHM-OCAPTIKFSA-N 0 1 282.300 0.723 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000600809201 362065852 /nfs/dbraw/zinc/06/58/52/362065852.db2.gz WCXZYDGLOPAJBR-JTQLQIEISA-N 0 1 295.295 0.097 20 5 CCBDMN C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000358421047 529800691 /nfs/dbraw/zinc/80/06/91/529800691.db2.gz CPGOXVXCLKQVQE-CYBMUJFWSA-N 0 1 295.295 0.097 20 5 CCBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C)CNCCO1 ZINC000602444083 362620449 /nfs/dbraw/zinc/62/04/49/362620449.db2.gz LKRISDJKKSTVKZ-AWEZNQCLSA-N 0 1 293.323 0.932 20 5 CCBDMN Cn1cc(CN2CCN(CC(C)(C)O)CC2)c([N+](=O)[O-])n1 ZINC000602455371 362625947 /nfs/dbraw/zinc/62/59/47/362625947.db2.gz RHPZSAGCNHGMLF-UHFFFAOYSA-N 0 1 297.359 0.217 20 5 CCBDMN C[C@H](O)[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602605685 362710536 /nfs/dbraw/zinc/71/05/36/362710536.db2.gz JWRMUUHOGWUNML-DTWKUNHWSA-N 0 1 254.290 0.531 20 5 CCBDMN CC(C)N(Cc1cn(C)nc1[N+](=O)[O-])C[C@H](C)O ZINC000602774832 362794882 /nfs/dbraw/zinc/79/48/82/362794882.db2.gz BYHRQYBPQZTHSP-VIFPVBQESA-N 0 1 256.306 0.920 20 5 CCBDMN COC[C@@H]1C[C@@H](O)CN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602865009 362849109 /nfs/dbraw/zinc/84/91/09/362849109.db2.gz MHIYFWFMNJDVRR-WDEREUQCSA-N 0 1 284.316 0.181 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H](C)N1 ZINC000262189837 137030419 /nfs/dbraw/zinc/03/04/19/137030419.db2.gz LYDMZPPPOALVTE-RKDXNWHRSA-N 0 1 278.312 0.999 20 5 CCBDMN CC[C@@H](O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000311877117 137076003 /nfs/dbraw/zinc/07/60/03/137076003.db2.gz AZJKJWUZKQYPNW-SSDOTTSWSA-N 0 1 292.288 0.783 20 5 CCBDMN C[C@H](CN1CCCC1=O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343209949 137120864 /nfs/dbraw/zinc/12/08/64/137120864.db2.gz JEFVDVBQDHUMJK-SSDOTTSWSA-N 0 1 281.272 0.059 20 5 CCBDMN O=C(NCCCN1CCCCC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343669148 137147948 /nfs/dbraw/zinc/14/79/48/137147948.db2.gz MUQNAVSPPDVBHB-UHFFFAOYSA-N 0 1 295.299 0.450 20 5 CCBDMN Cc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2N)n[nH]1 ZINC000343333944 137128794 /nfs/dbraw/zinc/12/87/94/137128794.db2.gz ABAITFVSZHYRQT-YFKPBYRVSA-N 0 1 291.271 0.490 20 5 CCBDMN CCN1C[C@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1C ZINC000345980418 137262818 /nfs/dbraw/zinc/26/28/18/137262818.db2.gz KRNFKBMPKKLJBG-ZJUUUORDSA-N 0 1 296.331 0.127 20 5 CCBDMN CC(C)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000048557563 348415371 /nfs/dbraw/zinc/41/53/71/348415371.db2.gz ZJPDLFBWAMPPQU-UHFFFAOYSA-N 0 1 266.305 0.497 20 5 CCBDMN O=C(CNc1ccccc1[N+](=O)[O-])NCc1nnc[nH]1 ZINC000347679612 137349908 /nfs/dbraw/zinc/34/99/08/137349908.db2.gz JLNVSODSEZKGEZ-UHFFFAOYSA-N 0 1 276.256 0.441 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000080523615 349215538 /nfs/dbraw/zinc/21/55/38/349215538.db2.gz PLLMKJBCMQVVCV-UHFFFAOYSA-N 0 1 275.268 0.914 20 5 CCBDMN Cn1c(C(=O)NCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000080605523 349221478 /nfs/dbraw/zinc/22/14/78/349221478.db2.gz QJNYFHGVELMWNP-UHFFFAOYSA-N 0 1 264.245 0.024 20 5 CCBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1nnc[nH]1 ZINC000134752626 350374778 /nfs/dbraw/zinc/37/47/78/350374778.db2.gz GWTDFWSOPVVLIE-UHFFFAOYSA-N 0 1 261.241 0.572 20 5 CCBDMN CN(C)C1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000134959092 350381174 /nfs/dbraw/zinc/38/11/74/350381174.db2.gz XKRSKZRWJBOZPF-UHFFFAOYSA-N 0 1 292.339 0.803 20 5 CCBDMN COc1c(C(=O)NCc2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000137589730 350437347 /nfs/dbraw/zinc/43/73/47/350437347.db2.gz OPUQYESGVMQTMQ-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603091470 362958595 /nfs/dbraw/zinc/95/85/95/362958595.db2.gz XRMIQRPCVRHCMJ-BXKDBHETSA-N 0 1 250.254 0.867 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603091470 362958598 /nfs/dbraw/zinc/95/85/98/362958598.db2.gz XRMIQRPCVRHCMJ-BXKDBHETSA-N 0 1 250.254 0.867 20 5 CCBDMN COC(=O)C1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000153282823 350555906 /nfs/dbraw/zinc/55/59/06/350555906.db2.gz DZUQMEWIEJIACN-UHFFFAOYSA-N 0 1 296.283 0.780 20 5 CCBDMN COC[C@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000167861091 350815281 /nfs/dbraw/zinc/81/52/81/350815281.db2.gz KGZWUPULWVVRNC-JTQLQIEISA-N 0 1 267.285 0.527 20 5 CCBDMN Cc1[nH]nc(C(=O)N(CCO)CC2CC2)c1[N+](=O)[O-] ZINC000339767103 215331536 /nfs/dbraw/zinc/33/15/36/215331536.db2.gz LRTUMYCNVMVOFD-UHFFFAOYSA-N 0 1 268.273 0.471 20 5 CCBDMN COCCN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174813685 351105053 /nfs/dbraw/zinc/10/50/53/351105053.db2.gz SLGUPSOMOYDFMO-UHFFFAOYSA-N 0 1 283.332 0.055 20 5 CCBDMN CNCc1cn(Cc2ccc([N+](=O)[O-])cc2OC)nn1 ZINC000603244840 363019929 /nfs/dbraw/zinc/01/99/29/363019929.db2.gz VTUAYRDEUJOAGK-UHFFFAOYSA-N 0 1 277.284 0.963 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCC(=O)NC12CCC2 ZINC000338638855 282774630 /nfs/dbraw/zinc/77/46/30/282774630.db2.gz YKSOTCXJYNAHCS-JTQLQIEISA-N 0 1 293.327 0.619 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC(=O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000193928505 351849033 /nfs/dbraw/zinc/84/90/33/351849033.db2.gz UPQBDILUWGBXLZ-SSDOTTSWSA-N 0 1 280.284 0.931 20 5 CCBDMN O=[N+]([O-])c1cnc(NCc2nn[nH]n2)c(Cl)c1 ZINC000227652030 352056445 /nfs/dbraw/zinc/05/64/45/352056445.db2.gz IMUWGOKOURMPQP-UHFFFAOYSA-N 0 1 255.625 0.768 20 5 CCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1nnc[nH]1 ZINC000227766253 352058772 /nfs/dbraw/zinc/05/87/72/352058772.db2.gz WPQWRYNGRVPMEU-YFKPBYRVSA-N 0 1 250.218 0.532 20 5 CCBDMN Cc1cc(NC[C@H]2COCCN2)ncc1[N+](=O)[O-] ZINC000235827400 352188728 /nfs/dbraw/zinc/18/87/28/352188728.db2.gz IKUZQSWOSNVPJH-VIFPVBQESA-N 0 1 252.274 0.699 20 5 CCBDMN Cc1cc(C(=O)NC[C@H]2COCCN2)cc([N+](=O)[O-])c1 ZINC000235827688 352188862 /nfs/dbraw/zinc/18/88/62/352188862.db2.gz IJLPNNDEAVOWAN-NSHDSACASA-N 0 1 279.296 0.621 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCNCC1 ZINC000237190117 352250217 /nfs/dbraw/zinc/25/02/17/352250217.db2.gz LQWLQCBBULICFK-UHFFFAOYSA-N 0 1 265.269 0.649 20 5 CCBDMN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1nn[nH]n1 ZINC000268148991 352812306 /nfs/dbraw/zinc/81/23/06/352812306.db2.gz FRLDIFYGCSZOLC-LURJTMIESA-N 0 1 279.260 0.707 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000270074248 352900989 /nfs/dbraw/zinc/90/09/89/352900989.db2.gz KCKROBYPXWXWFC-DTWKUNHWSA-N 0 1 282.300 0.859 20 5 CCBDMN CCN1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000270765747 352981220 /nfs/dbraw/zinc/98/12/20/352981220.db2.gz GNVCKAFMVHDZEU-UHFFFAOYSA-N 0 1 267.289 0.486 20 5 CCBDMN C[C@H](O)CC(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270813779 352990004 /nfs/dbraw/zinc/99/00/04/352990004.db2.gz OXJGZBWDRWCZOH-ZETCQYMHSA-N 0 1 270.289 0.845 20 5 CCBDMN CC(C)(CO)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270869770 352997520 /nfs/dbraw/zinc/99/75/20/352997520.db2.gz JNSZHMZWHRWEQE-UHFFFAOYSA-N 0 1 270.289 0.846 20 5 CCBDMN CN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000270870485 352997580 /nfs/dbraw/zinc/99/75/80/352997580.db2.gz BUUPAPLGTIJZRE-UHFFFAOYSA-N 0 1 295.343 0.734 20 5 CCBDMN CC(C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000274650332 353149290 /nfs/dbraw/zinc/14/92/90/353149290.db2.gz SKDITDIOZRHWHS-UHFFFAOYSA-N 0 1 267.241 0.294 20 5 CCBDMN CN(CCOCCO)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000282129775 353395868 /nfs/dbraw/zinc/39/58/68/353395868.db2.gz JWQKRKUIDNAVPH-UHFFFAOYSA-N 0 1 284.268 0.381 20 5 CCBDMN COCC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC000282294210 353411412 /nfs/dbraw/zinc/41/14/12/353411412.db2.gz RVFHGNWEGSVUQO-UHFFFAOYSA-N 0 1 268.273 0.864 20 5 CCBDMN Cc1nc([C@@H](C)NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000286540261 353594324 /nfs/dbraw/zinc/59/43/24/353594324.db2.gz ZGMOYVWSDOWAQC-RXMQYKEDSA-N 0 1 292.255 0.613 20 5 CCBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@](O)(C(N)=O)C1 ZINC000286113495 353563069 /nfs/dbraw/zinc/56/30/69/353563069.db2.gz JBOYLMQLZJWCQX-IINYFYTJSA-N 0 1 293.323 0.968 20 5 CCBDMN CN(CCC(N)=O)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000286270226 353573296 /nfs/dbraw/zinc/57/32/96/353573296.db2.gz SBXFQYZIISRSJH-UHFFFAOYSA-N 0 1 291.267 0.419 20 5 CCBDMN Cc1[nH]ncc1CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287400843 353643816 /nfs/dbraw/zinc/64/38/16/353643816.db2.gz MPWWDUDSAJGQTD-UHFFFAOYSA-N 0 1 278.272 0.712 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000299551028 354026202 /nfs/dbraw/zinc/02/62/02/354026202.db2.gz QZUVKAQVXCNGQA-UHFFFAOYSA-N 0 1 281.316 0.793 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cn[nH]c1C ZINC000299592365 354030092 /nfs/dbraw/zinc/03/00/92/354030092.db2.gz FRESLVDRWBCNEG-UHFFFAOYSA-N 0 1 292.299 0.838 20 5 CCBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000330442987 354360465 /nfs/dbraw/zinc/36/04/65/354360465.db2.gz BIHGFANJURIYKH-ZDUSSCGKSA-N 0 1 282.296 0.884 20 5 CCBDMN CC[C@@H]1CO[C@@H](C)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331283831 354517214 /nfs/dbraw/zinc/51/72/14/354517214.db2.gz WRLGLVQECLFVBO-LOWVWBTDSA-N 0 1 298.343 0.652 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](n2cccn2)C1 ZINC000367860337 137929575 /nfs/dbraw/zinc/92/95/75/137929575.db2.gz SACRJLZKQQWPMS-IVZWLZJFSA-N 0 1 250.258 0.322 20 5 CCBDMN CC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000338891006 355446332 /nfs/dbraw/zinc/44/63/32/355446332.db2.gz ZHBQTITYAANXSV-LBPRGKRZSA-N 0 1 280.328 0.883 20 5 CCBDMN CCn1cc(S(=O)(=O)NCC(F)F)c([N+](=O)[O-])n1 ZINC000339049025 355477243 /nfs/dbraw/zinc/47/72/43/355477243.db2.gz ONQYGEWRIKRFLQ-UHFFFAOYSA-N 0 1 284.244 0.355 20 5 CCBDMN COC(=O)[C@]1(NCc2cc(O)ccc2[N+](=O)[O-])CCOC1 ZINC000339060257 355478760 /nfs/dbraw/zinc/47/87/60/355478760.db2.gz IAFMGQJXPAIHIY-ZDUSSCGKSA-N 0 1 296.279 0.722 20 5 CCBDMN O=C(NC1(c2nn[nH]n2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000348293772 355906121 /nfs/dbraw/zinc/90/61/21/355906121.db2.gz PBCRVQWYTHMFHF-UHFFFAOYSA-N 0 1 274.240 0.527 20 5 CCBDMN Cc1sc(C(=O)NCc2nn[nH]n2)cc1[N+](=O)[O-] ZINC000609532980 363502511 /nfs/dbraw/zinc/50/25/11/363502511.db2.gz SYWZSBCSXIHGAT-UHFFFAOYSA-N 0 1 268.258 0.408 20 5 CCBDMN CCOC(=O)c1ccnc(NCc2nn[nH]n2)c1[N+](=O)[O-] ZINC000609963683 363529095 /nfs/dbraw/zinc/52/90/95/363529095.db2.gz DTKVFHKLKUVWSN-UHFFFAOYSA-N 0 1 293.243 0.292 20 5 CCBDMN Cc1cc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])n[nH]1 ZINC000610264981 363548076 /nfs/dbraw/zinc/54/80/76/363548076.db2.gz KTOCBYVMKVZEKQ-UHFFFAOYSA-N 0 1 297.296 0.500 20 5 CCBDMN Cc1cc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])[nH]n1 ZINC000610264981 363548080 /nfs/dbraw/zinc/54/80/80/363548080.db2.gz KTOCBYVMKVZEKQ-UHFFFAOYSA-N 0 1 297.296 0.500 20 5 CCBDMN O=C(NCCn1cccn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356333806 356747775 /nfs/dbraw/zinc/74/77/75/356747775.db2.gz GLDCAIRITUULDH-UHFFFAOYSA-N 0 1 276.252 0.927 20 5 CCBDMN CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])[C@@H]2C1 ZINC000366808798 357240442 /nfs/dbraw/zinc/24/04/42/357240442.db2.gz OISPAEMBVHHTSU-OOCWMUITSA-N 0 1 284.312 0.447 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ncc[nH]1 ZINC000378522284 357690157 /nfs/dbraw/zinc/69/01/57/357690157.db2.gz XBBXPMZNKPOBTD-IWSPIJDZSA-N 0 1 250.258 0.738 20 5 CCBDMN CN1CCN(CCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401226535 357798193 /nfs/dbraw/zinc/79/81/93/357798193.db2.gz XTEJJYKBXUFFPF-UHFFFAOYSA-N 0 1 283.307 0.788 20 5 CCBDMN Cc1nc(NCCN2C[C@H]3CC[C@@H](C2)O3)ncc1[N+](=O)[O-] ZINC000450798943 236112446 /nfs/dbraw/zinc/11/24/46/236112446.db2.gz ZWOVBANMHHKOLF-PHIMTYICSA-N 0 1 293.327 0.390 20 5 CCBDMN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1C ZINC000408067219 357899769 /nfs/dbraw/zinc/89/97/69/357899769.db2.gz BDQPAAOJTRTWBN-UWVGGRQHSA-N 0 1 281.316 0.342 20 5 CCBDMN CC(C)[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN1C ZINC000408357203 358049657 /nfs/dbraw/zinc/04/96/57/358049657.db2.gz JFDLMIQDSDIWIG-NSHDSACASA-N 0 1 295.343 0.741 20 5 CCBDMN CN(CCn1ccc([N+](=O)[O-])n1)CCN1CCCC1=O ZINC000531143364 358444840 /nfs/dbraw/zinc/44/48/40/358444840.db2.gz ZCCFLDJBIZZTKF-UHFFFAOYSA-N 0 1 281.316 0.346 20 5 CCBDMN CN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000610772183 363613066 /nfs/dbraw/zinc/61/30/66/363613066.db2.gz UDBSPWNGTAVULK-SECBINFHSA-N 0 1 264.285 0.814 20 5 CCBDMN C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000582419535 359144633 /nfs/dbraw/zinc/14/46/33/359144633.db2.gz PXDRYVZIMLROQV-MRVPVSSYSA-N 0 1 280.284 0.519 20 5 CCBDMN C[C@H]1COCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000610990683 363642312 /nfs/dbraw/zinc/64/23/12/363642312.db2.gz HTCSHEXRBRUWCC-JTQLQIEISA-N 0 1 254.290 0.902 20 5 CCBDMN CN1CCO[C@H]2CCN(c3ccncc3[N+](=O)[O-])C[C@H]21 ZINC000585782191 359272770 /nfs/dbraw/zinc/27/27/70/359272770.db2.gz USSFGAYQHVORFR-OLZOCXBDSA-N 0 1 278.312 0.899 20 5 CCBDMN COC(=O)C[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000592042289 359742066 /nfs/dbraw/zinc/74/20/66/359742066.db2.gz DDRQLVQYMAOXFZ-JTQLQIEISA-N 0 1 281.268 0.101 20 5 CCBDMN [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000592330718 359819437 /nfs/dbraw/zinc/81/94/37/359819437.db2.gz BWSIHZCQHDAAIX-HTQZYQBOSA-N 0 1 280.284 0.695 20 5 CCBDMN C[C@@H](CO)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000611235310 363690513 /nfs/dbraw/zinc/69/05/13/363690513.db2.gz LOMPHSZJPZCQCB-LLVKDONJSA-N 0 1 280.328 0.740 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1C[C@H](O)C[C@H](O)C1 ZINC000611276762 363700598 /nfs/dbraw/zinc/70/05/98/363700598.db2.gz GTTWTSJEBPMJNS-PHIMTYICSA-N 0 1 268.269 0.228 20 5 CCBDMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563280046 291211918 /nfs/dbraw/zinc/21/19/18/291211918.db2.gz JRKTUEXLDQODGL-ZJUUUORDSA-N 0 1 298.295 0.739 20 5 CCBDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000593291028 360061828 /nfs/dbraw/zinc/06/18/28/360061828.db2.gz URWPKEJOOOGIMI-PSASIEDQSA-N 0 1 268.273 0.729 20 5 CCBDMN C[C@]1(C(=O)[O-])CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000593746555 360146432 /nfs/dbraw/zinc/14/64/32/360146432.db2.gz UBNOKJTVNPZLEX-LLVKDONJSA-N 0 1 268.273 0.730 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c1[N+](=O)[O-] ZINC000593870569 360184172 /nfs/dbraw/zinc/18/41/72/360184172.db2.gz QWJLZGKPPHSZEE-SXUWGWPLSA-N 0 1 298.324 0.226 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1C[C@H](O)C1(C)C ZINC000594003806 360232742 /nfs/dbraw/zinc/23/27/42/360232742.db2.gz ZNITURTWLOGILW-BDAKNGLRSA-N 0 1 254.290 0.577 20 5 CCBDMN CC[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])OC ZINC000594775791 360380573 /nfs/dbraw/zinc/38/05/73/360380573.db2.gz HVLTYTNADRISFY-MRVPVSSYSA-N 0 1 289.313 0.693 20 5 CCBDMN C[C@@H](O)CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772900 360380709 /nfs/dbraw/zinc/38/07/09/360380709.db2.gz ZLZONINZXBSLSQ-MRVPVSSYSA-N 0 1 289.313 0.429 20 5 CCBDMN CN(Cc1cnc[nH]1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595566179 360583878 /nfs/dbraw/zinc/58/38/78/360583878.db2.gz MFHHWSIFBXBJPP-UHFFFAOYSA-N 0 1 293.287 0.356 20 5 CCBDMN CN1CCN(C)[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596123891 360803567 /nfs/dbraw/zinc/80/35/67/360803567.db2.gz REQXLKNXFWIJDV-VIFPVBQESA-N 0 1 281.316 0.353 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC2CN(C)C2)n1 ZINC000596452136 360899297 /nfs/dbraw/zinc/89/92/97/360899297.db2.gz DLUPERTYIDYPDR-UHFFFAOYSA-N 0 1 294.311 0.774 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC)CCC(=O)OC)c1[N+](=O)[O-] ZINC000179427816 189193999 /nfs/dbraw/zinc/19/39/99/189193999.db2.gz MQIDXXWETSLIGS-UHFFFAOYSA-N 0 1 298.299 0.906 20 5 CCBDMN Cc1nc(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000596897157 360975569 /nfs/dbraw/zinc/97/55/69/360975569.db2.gz RBYHPQANARSXDL-UHFFFAOYSA-N 0 1 289.295 0.923 20 5 CCBDMN CC1(C)C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CO1 ZINC000597863791 361272011 /nfs/dbraw/zinc/27/20/11/361272011.db2.gz IMEWJSDCNGWXCA-ZCFIWIBFSA-N 0 1 254.246 0.615 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C[C@@H]2COCCO2)c1[N+](=O)[O-] ZINC000598180552 361348917 /nfs/dbraw/zinc/34/89/17/361348917.db2.gz GASFTZMPMFRZDU-MRVPVSSYSA-N 0 1 298.299 0.368 20 5 CCBDMN [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000598668510 361477177 /nfs/dbraw/zinc/47/71/77/361477177.db2.gz VYCLMIMMBJUJRT-OQPBUACISA-N 0 1 292.295 0.649 20 5 CCBDMN C[C@H]1[C@H](C)N(c2ncc([N+](=O)[O-])cn2)CCN1C ZINC000612794051 364012723 /nfs/dbraw/zinc/01/27/23/364012723.db2.gz WYCJOICYEFCGNJ-IUCAKERBSA-N 0 1 251.290 0.914 20 5 CCBDMN C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000564947176 291323395 /nfs/dbraw/zinc/32/33/95/291323395.db2.gz XNPBIZUHXLOFOE-SSDOTTSWSA-N 0 1 266.257 0.129 20 5 CCBDMN CCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496715865 240347829 /nfs/dbraw/zinc/34/78/29/240347829.db2.gz XWMGCJDGRPJEPR-HBNTYKKESA-N 0 1 299.327 0.779 20 5 CCBDMN CN1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC1=O ZINC000330458969 202850154 /nfs/dbraw/zinc/85/01/54/202850154.db2.gz SKVDWOJYJGKUTP-UHFFFAOYSA-N 0 1 251.242 0.532 20 5 CCBDMN C[C@@H](O)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000276067546 193204200 /nfs/dbraw/zinc/20/42/00/193204200.db2.gz UNAHJDKSNUYESK-DTWKUNHWSA-N 0 1 298.295 0.504 20 5 CCBDMN CN(CCCCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000276464752 193341575 /nfs/dbraw/zinc/34/15/75/193341575.db2.gz XUFCBXOOCPGWCM-UHFFFAOYSA-N 0 1 281.312 0.898 20 5 CCBDMN Cc1ccc(CNC[C@H]2CC(C(N)=O)=NO2)cc1[N+](=O)[O-] ZINC000276492702 193354544 /nfs/dbraw/zinc/35/45/44/193354544.db2.gz QLEAIQWXDJIERD-SNVBAGLBSA-N 0 1 292.295 0.623 20 5 CCBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000347627234 284194277 /nfs/dbraw/zinc/19/42/77/284194277.db2.gz ZKRVDGJIIVPDMS-QMMMGPOBSA-N 0 1 264.285 0.889 20 5 CCBDMN Cc1ccc(CN2C[C@@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000459692665 249053552 /nfs/dbraw/zinc/05/35/52/249053552.db2.gz FFZAYKYFVOPDEE-WCQYABFASA-N 0 1 266.297 0.688 20 5 CCBDMN CC(C)(O)CONC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000279164754 194313075 /nfs/dbraw/zinc/31/30/75/194313075.db2.gz IMXDESNWMBWQGY-UHFFFAOYSA-N 0 1 294.267 0.903 20 5 CCBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cnn[nH]1 ZINC000048919420 388910627 /nfs/dbraw/zinc/91/06/27/388910627.db2.gz DTGYPDZZKBPVSC-UHFFFAOYSA-N 0 1 261.241 0.685 20 5 CCBDMN C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC(=O)N1C ZINC000337553900 389063320 /nfs/dbraw/zinc/06/33/20/389063320.db2.gz USQMGPBDNHZWEV-VIFPVBQESA-N 0 1 279.296 0.963 20 5 CCBDMN COC(=O)[C@@H]1COCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339041547 389122275 /nfs/dbraw/zinc/12/22/75/389122275.db2.gz YJNJANLTTYMWCK-LBPRGKRZSA-N 0 1 296.279 0.674 20 5 CCBDMN CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000366146003 389293834 /nfs/dbraw/zinc/29/38/34/389293834.db2.gz UKJAPNDVYZHUKW-UHFFFAOYSA-N 0 1 264.285 0.768 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000331519466 389307189 /nfs/dbraw/zinc/30/71/89/389307189.db2.gz KDOYTVNREXMCDQ-QMMMGPOBSA-N 0 1 290.283 0.859 20 5 CCBDMN CCN(CC(N)=O)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000276666274 389525699 /nfs/dbraw/zinc/52/56/99/389525699.db2.gz UYBZXBNMVIEEHF-UHFFFAOYSA-N 0 1 267.241 0.248 20 5 CCBDMN C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)[O-] ZINC000178911329 389628301 /nfs/dbraw/zinc/62/83/01/389628301.db2.gz WOQCJQCJQDBOEQ-UHFFFAOYSA-N 0 1 254.242 0.990 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)Cc2ccnn2C)c1[N+](=O)[O-] ZINC000352548240 389830435 /nfs/dbraw/zinc/83/04/35/389830435.db2.gz OCHYUIAHCRFZIW-UHFFFAOYSA-N 0 1 278.272 0.632 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000408248925 389837667 /nfs/dbraw/zinc/83/76/67/389837667.db2.gz LZFDZUNUJFXTPE-GFCCVEGCSA-N 0 1 280.284 0.879 20 5 CCBDMN CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1O ZINC000446074312 389930763 /nfs/dbraw/zinc/93/07/63/389930763.db2.gz WYOJMICCGOJROZ-GFCCVEGCSA-N 0 1 295.339 0.849 20 5 CCBDMN CC[C@@H]1CN(C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000579152123 390148110 /nfs/dbraw/zinc/14/81/10/390148110.db2.gz LTGFYPJLCHPWJJ-SNVBAGLBSA-N 0 1 281.316 0.344 20 5 CCBDMN COC[C@@](C)(O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000542806862 390271191 /nfs/dbraw/zinc/27/11/91/390271191.db2.gz XZUIZZYLSMWVGL-LBPRGKRZSA-N 0 1 284.268 0.428 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC000521527817 390609274 /nfs/dbraw/zinc/60/92/74/390609274.db2.gz LJACLMMFACEOHY-FZMZJTMJSA-N 0 1 296.323 0.649 20 5 CCBDMN O=C(NCCN1CC=CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000527268462 390699060 /nfs/dbraw/zinc/69/90/60/390699060.db2.gz NZJJDUSLGZPATI-UHFFFAOYSA-N 0 1 276.296 0.982 20 5 CCBDMN O=C(N[C@H]1CCC(=O)NC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269136384 132118659 /nfs/dbraw/zinc/11/86/59/132118659.db2.gz DJAOUFRDKIUZFP-QMMMGPOBSA-N 0 1 279.252 0.309 20 5 CCBDMN CN(C)C(=O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269141044 132119496 /nfs/dbraw/zinc/11/94/96/132119496.db2.gz NGUMIGGEINAECN-UHFFFAOYSA-N 0 1 267.241 0.118 20 5 CCBDMN O=C(NCC1(O)CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269189838 132128179 /nfs/dbraw/zinc/12/81/79/132128179.db2.gz NSUUHJZTENGKCA-UHFFFAOYSA-N 0 1 296.279 0.572 20 5 CCBDMN O=C(N[C@@H](CO)c1cccc(F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000356367578 143995913 /nfs/dbraw/zinc/99/59/13/143995913.db2.gz UIAPOYMEKDZQGO-VIFPVBQESA-N 0 1 294.242 0.920 20 5 CCBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000356735153 144028380 /nfs/dbraw/zinc/02/83/80/144028380.db2.gz WOIRLGUOSBOCBB-SNVBAGLBSA-N 0 1 279.252 0.261 20 5 CCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN2CCC1CC2 ZINC000357015550 144051020 /nfs/dbraw/zinc/05/10/20/144051020.db2.gz XJJNLQRYTBWBQJ-UHFFFAOYSA-N 0 1 279.300 0.249 20 5 CCBDMN CNC(=O)[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000357598555 144103280 /nfs/dbraw/zinc/10/32/80/144103280.db2.gz LBJLTJSXRSGXRB-LURJTMIESA-N 0 1 283.288 0.080 20 5 CCBDMN CCC[C@@H]1CNCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000359214844 144202840 /nfs/dbraw/zinc/20/28/40/144202840.db2.gz MGZSWAHPCHIXQM-LLVKDONJSA-N 0 1 295.343 0.782 20 5 CCBDMN COC(=O)C1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000049801017 411677455 /nfs/dbraw/zinc/67/74/55/411677455.db2.gz WBMYKIOWTZDBSE-UHFFFAOYSA-N 0 1 296.327 0.985 20 5 CCBDMN CCN(CCc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000191718018 276134375 /nfs/dbraw/zinc/13/43/75/276134375.db2.gz SHIJWWYAMRDHIV-UHFFFAOYSA-N 0 1 251.286 0.945 20 5 CCBDMN CNC(=O)[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330793202 277245763 /nfs/dbraw/zinc/24/57/63/277245763.db2.gz CQFFWQQDOZCLET-LBPRGKRZSA-N 0 1 295.295 0.247 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000351885252 278001390 /nfs/dbraw/zinc/00/13/90/278001390.db2.gz BDSJFTFPZMQXDC-HTQZYQBOSA-N 0 1 282.300 0.894 20 5 CCBDMN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577372770 335344238 /nfs/dbraw/zinc/34/42/38/335344238.db2.gz PUZWIOSDDIEXCI-JGVFFNPUSA-N 0 1 288.329 0.394 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc(C2CCC2)n[nH]1 ZINC000184613298 527379819 /nfs/dbraw/zinc/37/98/19/527379819.db2.gz DLYKMJMXJFOTJT-UHFFFAOYSA-N 0 1 291.271 0.816 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1n[nH]c(C2CCC2)n1 ZINC000184613298 527379822 /nfs/dbraw/zinc/37/98/22/527379822.db2.gz DLYKMJMXJFOTJT-UHFFFAOYSA-N 0 1 291.271 0.816 20 5 CCBDMN CCC(=O)N[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000358269287 528407843 /nfs/dbraw/zinc/40/78/43/528407843.db2.gz URWIGRXDAQVPRW-LLVKDONJSA-N 0 1 295.343 0.782 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H]2CO)c1[N+](=O)[O-] ZINC000192933223 536000570 /nfs/dbraw/zinc/00/05/70/536000570.db2.gz LUDBSLTWPLHAQE-APPZFPTMSA-N 0 1 282.300 0.723 20 5 CCBDMN COCCCNC(=O)C1CCN(CC[N+](=O)[O-])CC1 ZINC000791054143 581206549 /nfs/dbraw/zinc/20/65/49/581206549.db2.gz XZOQYXKSVRMGCU-UHFFFAOYSA-N 0 1 273.333 0.128 20 5 CCBDMN COCCONC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780613819 581236477 /nfs/dbraw/zinc/23/64/77/581236477.db2.gz DFCKVLZZGCKLLD-UHFFFAOYSA-N 0 1 256.214 0.608 20 5 CCBDMN CC(C)c1n[nH]c(COC(=O)c2c([N+](=O)[O-])cnn2C)n1 ZINC000795479315 581408997 /nfs/dbraw/zinc/40/89/97/581408997.db2.gz IPXBNLNGXQQITB-UHFFFAOYSA-N 0 1 294.271 0.927 20 5 CCBDMN CC(C)c1nc(COC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC000795479315 581408999 /nfs/dbraw/zinc/40/89/99/581408999.db2.gz IPXBNLNGXQQITB-UHFFFAOYSA-N 0 1 294.271 0.927 20 5 CCBDMN Cc1nc(COC(=O)c2c(N)cccc2[N+](=O)[O-])n[nH]1 ZINC000795503250 581409852 /nfs/dbraw/zinc/40/98/52/581409852.db2.gz BPAGODQKOQEMCU-UHFFFAOYSA-N 0 1 277.240 0.961 20 5 CCBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000740056483 581648518 /nfs/dbraw/zinc/64/85/18/581648518.db2.gz GVMIAYCKOZCTIU-PWSUYJOCSA-N 0 1 296.279 0.493 20 5 CCBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000740056483 581648523 /nfs/dbraw/zinc/64/85/23/581648523.db2.gz GVMIAYCKOZCTIU-PWSUYJOCSA-N 0 1 296.279 0.493 20 5 CCBDMN COc1ccc([C@H](O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839525241 617281798 /nfs/dbraw/zinc/28/17/98/617281798.db2.gz VRRRFUJXPZABLD-IJLUTSLNSA-N 0 1 280.280 0.510 20 5 CCBDMN CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000952623301 613618718 /nfs/dbraw/zinc/61/87/18/613618718.db2.gz BVELAWWKYGQVSS-WRWGMCAJSA-N 0 1 281.312 0.263 20 5 CCBDMN CC(C)(C)CCNC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671999 613914273 /nfs/dbraw/zinc/91/42/73/613914273.db2.gz CCBGUXGJOCSHRW-RKDXNWHRSA-N 0 1 272.301 0.747 20 5 CCBDMN CC(C)OC(=O)C(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000891317745 613984570 /nfs/dbraw/zinc/98/45/70/613984570.db2.gz OTYUOWAALPTKSU-HTQZYQBOSA-N 0 1 258.274 0.498 20 5 CCBDMN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839702575 614000097 /nfs/dbraw/zinc/00/00/97/614000097.db2.gz YLBSLAPXBLERNS-OPRDCNLKSA-N 0 1 284.312 0.842 20 5 CCBDMN CC(C)CN1CCO[C@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842310420 614100836 /nfs/dbraw/zinc/10/08/36/614100836.db2.gz JKSSEXMEXPYDPU-QJPTWQEYSA-N 0 1 286.328 0.552 20 5 CCBDMN CC(C)(O)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000832447243 614213401 /nfs/dbraw/zinc/21/34/01/614213401.db2.gz KCKZYKBOXRESCQ-OPRDCNLKSA-N 0 1 256.302 0.661 20 5 CCBDMN CCC1(CC)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[S@]1=O ZINC000839729019 614679633 /nfs/dbraw/zinc/67/96/33/614679633.db2.gz UVWQLPDFLPDUMZ-QVMDTKBZSA-N 0 1 288.369 0.801 20 5 CCBDMN CCCC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000943615648 614736879 /nfs/dbraw/zinc/73/68/79/614736879.db2.gz GFOVRRHTKFSXCB-GHMZBOCLSA-N 0 1 283.328 0.559 20 5 CCBDMN CCNCc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000843223269 615102791 /nfs/dbraw/zinc/10/27/91/615102791.db2.gz ODCKKPSWSROTMO-UHFFFAOYSA-N 0 1 252.234 0.488 20 5 CCBDMN CCOC(=O)CC[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713606 615182286 /nfs/dbraw/zinc/18/22/86/615182286.db2.gz CRAPMGNVQNJKDM-IWSPIJDZSA-N 0 1 258.274 0.500 20 5 CCBDMN CCN1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000922164397 615257715 /nfs/dbraw/zinc/25/77/15/615257715.db2.gz LOFPZIZKOPGERN-MRVPVSSYSA-N 0 1 252.274 0.747 20 5 CCBDMN CCOC(=O)[C@@H](CC)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840437556 615271890 /nfs/dbraw/zinc/27/18/90/615271890.db2.gz WRTJMPNHYCXQGU-GMTAPVOTSA-N 0 1 284.312 0.984 20 5 CCBDMN CCOC[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839684412 615320073 /nfs/dbraw/zinc/32/00/73/615320073.db2.gz NZGDDIKQXGXROC-HBNTYKKESA-N 0 1 256.302 0.927 20 5 CCBDMN CC[C@H](CO)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886023145 615734298 /nfs/dbraw/zinc/73/42/98/615734298.db2.gz MHRCUJZVIZRGHL-CYBMUJFWSA-N 0 1 294.355 0.878 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC2CC2)C1 ZINC000954235662 615867250 /nfs/dbraw/zinc/86/72/50/615867250.db2.gz ZMXGQHFNXKZRRM-GHMZBOCLSA-N 0 1 281.312 0.121 20 5 CCBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000839697015 615907237 /nfs/dbraw/zinc/90/72/37/615907237.db2.gz WNEBSTKQWIAALB-YVECIDJPSA-N 0 1 297.355 0.900 20 5 CCBDMN CN(C)C(=O)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818941528 615971172 /nfs/dbraw/zinc/97/11/72/615971172.db2.gz XJCORHSOYWWNBF-NSHDSACASA-N 0 1 267.285 0.306 20 5 CCBDMN CN(CC(=O)NC[C@H]1CCN1C)c1ccccc1[N+](=O)[O-] ZINC000928562756 616047741 /nfs/dbraw/zinc/04/77/41/616047741.db2.gz HMZDOPRHXSPVEJ-LLVKDONJSA-N 0 1 292.339 0.851 20 5 CCBDMN CN(Cc1ncc(Cl)n1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839720220 616104984 /nfs/dbraw/zinc/10/49/84/616104984.db2.gz JWTNJSDCBVMZOT-RNFRBKRXSA-N 0 1 272.692 0.697 20 5 CCBDMN CN1C(=O)CC[C@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837629894 616133334 /nfs/dbraw/zinc/13/33/34/616133334.db2.gz LDAQNYYSDCVTAB-NSHDSACASA-N 0 1 294.263 0.964 20 5 CCBDMN CN1CCC[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825732470 616207828 /nfs/dbraw/zinc/20/78/28/616207828.db2.gz WJOKUFNZZDBQQD-WCQYABFASA-N 0 1 293.323 0.839 20 5 CCBDMN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)C1 ZINC000886370513 616302158 /nfs/dbraw/zinc/30/21/58/616302158.db2.gz KSYIPXDZNGFEGW-ZYUZMQFOSA-N 0 1 270.285 0.452 20 5 CCBDMN COC(=O)C1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839662259 616464308 /nfs/dbraw/zinc/46/43/08/616464308.db2.gz BVBPHQSGEKGOMU-YDYPAMBWSA-N 0 1 270.285 0.500 20 5 CCBDMN COC(=O)CC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840672916 616503524 /nfs/dbraw/zinc/50/35/24/616503524.db2.gz FRNFTRNKUWWWLB-HTQZYQBOSA-N 0 1 257.242 0.538 20 5 CCBDMN COCCO[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839758901 616587212 /nfs/dbraw/zinc/58/72/12/616587212.db2.gz QRQPIENJYXHRPA-HBNTYKKESA-N 0 1 272.301 0.306 20 5 CCBDMN COC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1F ZINC000840392933 616630227 /nfs/dbraw/zinc/63/02/27/616630227.db2.gz QUMGPTUKIFUTNX-FBIMIBRVSA-N 0 1 296.254 0.821 20 5 CCBDMN COC(=O)[C@]1(C)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840426637 616759037 /nfs/dbraw/zinc/75/90/37/616759037.db2.gz RMBIGWHIFCTITJ-XLDPMVHQSA-N 0 1 256.258 0.206 20 5 CCBDMN CNC(=O)[C@H]1CCC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886169819 616883153 /nfs/dbraw/zinc/88/31/53/616883153.db2.gz JKJFASXULQPGJF-WDEREUQCSA-N 0 1 278.312 0.994 20 5 CCBDMN CN[C@@H](C)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000848627738 617043280 /nfs/dbraw/zinc/04/32/80/617043280.db2.gz JYHCBBVEHKQVQK-YFKPBYRVSA-N 0 1 266.261 0.967 20 5 CCBDMN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000311967193 625300053 /nfs/dbraw/zinc/30/00/53/625300053.db2.gz OJJBFVZNWYONFD-SSDOTTSWSA-N 0 1 291.304 0.750 20 5 CCBDMN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000932343557 624490084 /nfs/dbraw/zinc/49/00/84/624490084.db2.gz BDBUMGBYPGOUAX-LLVKDONJSA-N 0 1 281.312 0.867 20 5 CCBDMN Cc1cccc(N(C)CC(=O)N2CCNCC2)c1[N+](=O)[O-] ZINC000234245912 624798956 /nfs/dbraw/zinc/79/89/56/624798956.db2.gz XZKKOZFBNPICEO-UHFFFAOYSA-N 0 1 292.339 0.771 20 5 CCBDMN NC(=O)[C@H](Cc1ccc(F)cc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673536 631715000 /nfs/dbraw/zinc/71/50/00/631715000.db2.gz RRUGGNVIIQUUKN-MXWKQRLJSA-N 0 1 296.254 0.431 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000928443130 631850144 /nfs/dbraw/zinc/85/01/44/631850144.db2.gz CVALWOYXWADYHV-RKDXNWHRSA-N 0 1 281.316 0.459 20 5 CCBDMN Cc1nn(C)c(N[C@H](C)[C@@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC000895246570 632036866 /nfs/dbraw/zinc/03/68/66/632036866.db2.gz ASCQITWHWXFVSL-KOLCDFICSA-N 0 1 296.375 0.683 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000911801083 636394225 /nfs/dbraw/zinc/39/42/25/636394225.db2.gz YALZKPBHRUMAAD-IUCAKERBSA-N 0 1 281.316 0.309 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1C1OCCO1 ZINC000888444596 639709558 /nfs/dbraw/zinc/70/95/58/639709558.db2.gz WHXFZZHDHMYMTE-IWSPIJDZSA-N 0 1 256.258 0.016 20 5 CCBDMN O=C(NC[C@@H]1CC1(Cl)Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000839506247 640316844 /nfs/dbraw/zinc/31/68/44/640316844.db2.gz OOKVCILMYIPDLN-KVQBGUIXSA-N 0 1 253.085 0.962 20 5 CCBDMN O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000839535682 640341965 /nfs/dbraw/zinc/34/19/65/640341965.db2.gz ZIRFUKKVTAYBCV-DDHJBXDOSA-N 0 1 262.265 0.426 20 5 CCBDMN O=C(CNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCc2ccccc21 ZINC000839627164 640347289 /nfs/dbraw/zinc/34/72/89/640347289.db2.gz XZOOIFWHIFWICG-ZYHUDNBSSA-N 0 1 289.291 0.357 20 5 CCBDMN Cc1cccn2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nc12 ZINC000839670770 640353288 /nfs/dbraw/zinc/35/32/88/640353288.db2.gz XCGQFYYDCZFOHW-GHMZBOCLSA-N 0 1 274.280 0.924 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000839670637 640353648 /nfs/dbraw/zinc/35/36/48/640353648.db2.gz VWHBPFIZZYNCMS-BWZBUEFSSA-N 0 1 258.274 0.498 20 5 CCBDMN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000839703764 640354660 /nfs/dbraw/zinc/35/46/60/640354660.db2.gz JXAISVCNCDTFDH-VPJKUYQRSA-N 0 1 254.286 0.725 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCS[C@H]2COCC[C@H]21 ZINC000839708526 640356191 /nfs/dbraw/zinc/35/61/91/640356191.db2.gz XYMNOHNIZFBTKH-KYXWUPHJSA-N 0 1 272.326 0.385 20 5 CCBDMN Cc1cccc([C@H](O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839708642 640356439 /nfs/dbraw/zinc/35/64/39/640356439.db2.gz YKEQRVHJLHYRPN-IJLUTSLNSA-N 0 1 264.281 0.810 20 5 CCBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)NC1CC1 ZINC000797976453 640473509 /nfs/dbraw/zinc/47/35/09/640473509.db2.gz KUGWAECSBAPQJK-LURJTMIESA-N 0 1 267.241 0.747 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1C(F)(F)F ZINC000840357313 641320746 /nfs/dbraw/zinc/32/07/46/641320746.db2.gz CRDHBANSLGTMCP-FSDSQADBSA-N 0 1 268.191 0.441 20 5 CCBDMN Cc1nc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])cnc2N)n[nH]1 ZINC000840405179 641518999 /nfs/dbraw/zinc/51/89/99/641518999.db2.gz JUYFCMHBPDPKKH-RXMQYKEDSA-N 0 1 292.255 0.917 20 5 CCBDMN NC(=O)C1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000837516311 642749724 /nfs/dbraw/zinc/74/97/24/642749724.db2.gz XHQOBUGJWNJSKS-UHFFFAOYSA-N 0 1 280.236 0.609 20 5 CCBDMN Cc1ncc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)n1 ZINC000841176538 642807142 /nfs/dbraw/zinc/80/71/42/642807142.db2.gz BVKCEUVMJNCWEC-NXEZZACHSA-N 0 1 251.242 0.802 20 5 CCBDMN O=C(OCCOc1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842308678 642890060 /nfs/dbraw/zinc/89/00/60/642890060.db2.gz XDIAKQROCDEMDW-NXEZZACHSA-N 0 1 252.226 0.669 20 5 CCBDMN C[C@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC(=O)NC1 ZINC000842423379 642897592 /nfs/dbraw/zinc/89/75/92/642897592.db2.gz UVBRZUNDXCOOAC-LBPRGKRZSA-N 0 1 281.268 0.996 20 5 CCBDMN [NH3+][C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000842799412 642955801 /nfs/dbraw/zinc/95/58/01/642955801.db2.gz OLYDIGPHSUSIDL-KNVOCYPGSA-N 0 1 289.288 0.502 20 5 CCBDMN C[C@H](CO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000846470086 643409564 /nfs/dbraw/zinc/40/95/64/643409564.db2.gz DYCOWXSIJPJBRG-FBIMIBRVSA-N 0 1 256.302 0.519 20 5 CCBDMN O=C(NCC[S@](=O)CC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000855265721 644299699 /nfs/dbraw/zinc/29/96/99/644299699.db2.gz NUWLSZIGMFPAOK-AAANXKGNSA-N 0 1 288.247 0.079 20 5 CCBDMN O=C(N[C@H]1C[C@H](O)c2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000855733061 644358899 /nfs/dbraw/zinc/35/88/99/644358899.db2.gz VBQMEPZBBUGBHU-KXNHARMFSA-N 0 1 262.265 0.946 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC2(C)C)n1 ZINC000859159490 644671998 /nfs/dbraw/zinc/67/19/98/644671998.db2.gz LMRILMBAWKSYMX-MRVPVSSYSA-N 0 1 288.329 0.795 20 5 CCBDMN O=C1OC[C@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000860166315 644778917 /nfs/dbraw/zinc/77/89/17/644778917.db2.gz YCMBEPLDMISIQD-RTXFEEFZSA-N 0 1 292.291 0.733 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000863232621 645071838 /nfs/dbraw/zinc/07/18/38/645071838.db2.gz BTFJHANBGJRSBZ-BTQIBKBOSA-N 0 1 254.286 0.273 20 5 CCBDMN O=C(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(F)c1F ZINC000869561645 645903906 /nfs/dbraw/zinc/90/39/06/645903906.db2.gz AFDTUPZCDVEKEN-VXNVDRBHSA-N 0 1 284.218 0.929 20 5 CCBDMN Cn1cc(CN2CCN(CCCCO)CC2)c([N+](=O)[O-])n1 ZINC000876724622 646650377 /nfs/dbraw/zinc/65/03/77/646650377.db2.gz CYBGOXOHIQOWAB-UHFFFAOYSA-N 0 1 297.359 0.218 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC=C[C@H]1CO ZINC000880493927 647213338 /nfs/dbraw/zinc/21/33/38/647213338.db2.gz GWICKISJKRMTHM-JTQLQIEISA-N 0 1 252.274 0.332 20 5 CCBDMN O=[N+]([O-])c1ncccc1CN1CCN(CCCCO)CC1 ZINC000886073167 647897796 /nfs/dbraw/zinc/89/77/96/647897796.db2.gz QYXHKYPTDPWQBE-UHFFFAOYSA-N 0 1 294.355 0.880 20 5 CCBDMN C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])[C@H](C)CN1CCO ZINC000886249137 647936594 /nfs/dbraw/zinc/93/65/94/647936594.db2.gz DGFRPCFONSJPQU-VXGBXAGGSA-N 0 1 294.355 0.877 20 5 CCBDMN CS(=O)(=O)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000106081879 648305244 /nfs/dbraw/zinc/30/52/44/648305244.db2.gz VTRUQWIHZKYXER-LLVKDONJSA-N 0 1 288.325 0.262 20 5 CCBDMN N=c1cc(C[NH3+])ncn1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001167359254 790967384 /nfs/dbraw/zinc/96/73/84/790967384.db2.gz NVFCIOMIMHRYAE-UHFFFAOYSA-N 0 1 286.295 0.322 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2n[nH]c(C)n2)n1 ZINC001140155825 799884392 /nfs/dbraw/zinc/88/43/92/799884392.db2.gz HIDOPMXJHWVVSL-ZCFIWIBFSA-N 0 1 293.287 0.729 20 5 CCBDMN O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000839465196 800025106 /nfs/dbraw/zinc/02/51/06/800025106.db2.gz KLQIMXLZLMEMPO-IVZWLZJFSA-N 0 1 278.264 0.608 20 5 CCBDMN Nc1nc(NCCNC(=O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001156203589 801129567 /nfs/dbraw/zinc/12/95/67/801129567.db2.gz RZMCUXANUGBCFM-UHFFFAOYSA-N 0 1 293.205 0.662 20 5 CCBDMN COc1cc(-n2c(C)cnc2CN)ncc1[N+](=O)[O-] ZINC001158164136 801579991 /nfs/dbraw/zinc/57/99/91/801579991.db2.gz GGKPQXOWAWODNX-UHFFFAOYSA-N 0 1 263.257 0.951 20 5 CCBDMN COc1cc(N2CC3(CN(C)C3)C2)ncc1[N+](=O)[O-] ZINC001158863833 801717017 /nfs/dbraw/zinc/71/70/17/801717017.db2.gz IPJOHUUTKDPGKS-UHFFFAOYSA-N 0 1 264.285 0.750 20 5 CCBDMN O=[N+]([O-])c1cc(NC[C@H]2COCCN2)nc2[nH]ccc21 ZINC001159043225 801748500 /nfs/dbraw/zinc/74/85/00/801748500.db2.gz AIVMTDTVONESHK-QMMMGPOBSA-N 0 1 277.284 0.871 20 5 CCBDMN CC(=O)NCC[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001160627087 801982961 /nfs/dbraw/zinc/98/29/61/801982961.db2.gz IKULYKVLZJNWMO-IJLUTSLNSA-N 0 1 283.328 0.416 20 5 CCBDMN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CN2CCC1CC2 ZINC001163381048 802549531 /nfs/dbraw/zinc/54/95/31/802549531.db2.gz LRDUNUQMSBDABY-NSHDSACASA-N 0 1 291.311 0.595 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2cccc3ncc([N+](=O)[O-])n32)S1 ZINC001163675079 802590464 /nfs/dbraw/zinc/59/04/64/802590464.db2.gz WUUNSIMSOLWESZ-SECBINFHSA-N 0 1 293.264 0.964 20 5 CCBDMN COC(=O)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccncc1 ZINC001163781535 802611024 /nfs/dbraw/zinc/61/10/24/802611024.db2.gz QRCAHLAZCZMXCM-GMTAPVOTSA-N 0 1 293.279 0.467 20 5 CCBDMN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1nnc[nH]1 ZINC001165855849 802870143 /nfs/dbraw/zinc/87/01/43/802870143.db2.gz BHTAYXDJIXIODH-UHFFFAOYSA-N 0 1 288.223 0.578 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1NC(=O)NCCc1nc[nH]n1 ZINC001216480381 803840476 /nfs/dbraw/zinc/84/04/76/803840476.db2.gz NUNBLSZGHJNNAD-UHFFFAOYSA-N 0 1 291.271 0.202 20 5 CCBDMN CO[C@@H]1CCN(CCOc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225664521 805149146 /nfs/dbraw/zinc/14/91/46/805149146.db2.gz PVKXPPJPIOPXCA-SECBINFHSA-N 0 1 283.284 0.795 20 5 CCBDMN O=C1OCC[C@@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227093735 805321043 /nfs/dbraw/zinc/32/10/43/805321043.db2.gz VZDMKGOIYBDYCO-VIFPVBQESA-N 0 1 291.219 0.938 20 5 CCBDMN C[N@@H+]1CCC[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228142669 805418738 /nfs/dbraw/zinc/41/87/38/805418738.db2.gz GNYWBXVFXPTDGT-MRVPVSSYSA-N 0 1 268.273 0.954 20 5 CCBDMN C[N@H+]1CCC[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228142669 805418741 /nfs/dbraw/zinc/41/87/41/805418741.db2.gz GNYWBXVFXPTDGT-MRVPVSSYSA-N 0 1 268.273 0.954 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCOC2=O)cc1O ZINC001228812195 805481417 /nfs/dbraw/zinc/48/14/17/805481417.db2.gz VEKTXEZMVWVTLV-VIFPVBQESA-N 0 1 297.219 0.781 20 5 CCBDMN CCN1CC(Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001229375537 805526766 /nfs/dbraw/zinc/52/67/66/805526766.db2.gz HHJRCSUIXQDAJH-UHFFFAOYSA-N 0 1 254.246 0.482 20 5 CCBDMN CN1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000687598517 812319538 /nfs/dbraw/zinc/31/95/38/812319538.db2.gz OXCQPGFOBCEJPZ-AWEZNQCLSA-N 0 1 279.340 0.746 20 5 CCBDMN Cc1ccncc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292486 815961145 /nfs/dbraw/zinc/96/11/45/815961145.db2.gz LAURXJBMTLCLEG-CHWSQXEVSA-N 0 1 290.323 0.356 20 5 CCBDMN CN1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000699491549 816746834 /nfs/dbraw/zinc/74/68/34/816746834.db2.gz TVORYUFPHQWWNH-LBPRGKRZSA-N 0 1 251.286 0.708 20 5 CCBDMN CC(C)C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062559493 819964966 /nfs/dbraw/zinc/96/49/66/819964966.db2.gz OFUIQACOCAEDGE-NXEZZACHSA-N 0 1 283.328 0.463 20 5 CCBDMN COc1cc(-n2c(C)nnc2CN)ncc1[N+](=O)[O-] ZINC001163346895 820023802 /nfs/dbraw/zinc/02/38/02/820023802.db2.gz VRXFPAZIELMDET-UHFFFAOYSA-N 0 1 264.245 0.346 20 5 CCBDMN CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079743767 820465495 /nfs/dbraw/zinc/46/54/95/820465495.db2.gz FLOOTNLUECGLLS-VXGBXAGGSA-N 0 1 297.355 0.901 20 5 CCBDMN CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1CO ZINC000828725043 821821361 /nfs/dbraw/zinc/82/13/61/821821361.db2.gz PGSPNLOOWQHCHJ-JTQLQIEISA-N 0 1 291.311 0.584 20 5 CCBDMN COc1nc(C)nc(NC[C@@H]2COCCN2)c1[N+](=O)[O-] ZINC001170036226 836754980 /nfs/dbraw/zinc/75/49/80/836754980.db2.gz WBDYAQVWBOBVCV-MRVPVSSYSA-N 0 1 283.288 0.102 20 5 CCBDMN CCCCOCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001112835398 836935436 /nfs/dbraw/zinc/93/54/36/836935436.db2.gz ABWJBBPKKLMDCU-CHWSQXEVSA-N 0 1 299.371 0.613 20 5 CCBDMN CN1CC(CNc2ccc([N+](=O)[O-])c(C(N)=O)n2)C1 ZINC001170249532 837281898 /nfs/dbraw/zinc/28/18/98/837281898.db2.gz JWISVLLMKSDDHI-UHFFFAOYSA-N 0 1 265.273 0.062 20 5 CCBDMN COc1nc(-n2c(C)cnc2CN)ccc1[N+](=O)[O-] ZINC001158162635 837954552 /nfs/dbraw/zinc/95/45/52/837954552.db2.gz AAHGJGSYXKBBSW-UHFFFAOYSA-N 0 1 263.257 0.951 20 5 CCBDMN CC[C@](N)(CO)Nc1ccc(CC(=O)OC)c([N+](=O)[O-])c1 ZINC001170861799 839453872 /nfs/dbraw/zinc/45/38/72/839453872.db2.gz DVAOBCFHFRUZLT-CYBMUJFWSA-N 0 1 297.311 0.780 20 5 CCBDMN CC[C@](N)(CO)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001170866769 839467780 /nfs/dbraw/zinc/46/77/80/839467780.db2.gz YSKKDJFOHBVQKO-GFCCVEGCSA-N 0 1 283.284 0.851 20 5 CCBDMN CC[C@@](N)(CO)Nc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001170865994 839468786 /nfs/dbraw/zinc/46/87/86/839468786.db2.gz RVZAESNDLCKVGJ-NSHDSACASA-N 0 1 265.273 0.712 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CCO)(CCO)CC1 ZINC001171469544 841729371 /nfs/dbraw/zinc/72/93/71/841729371.db2.gz IEOCNRRBIXPBHC-GHMZBOCLSA-N 0 1 286.328 0.025 20 5 CCBDMN COC1(OC)CC(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001181548356 843519674 /nfs/dbraw/zinc/51/96/74/843519674.db2.gz LPKWSKPUPPWGHW-UHFFFAOYSA-N 0 1 284.272 0.447 20 5 CCBDMN CC(C)(N)c1noc(Cn2cnc([N+](=O)[O-])c2)n1 ZINC001326331297 913893694 /nfs/dbraw/zinc/89/36/94/913893694.db2.gz UDNUPZSCYJRPPL-UHFFFAOYSA-N 0 1 252.234 0.416 20 5 CCBDMN C[C@]1(C(=O)[O-])CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001326832581 914213282 /nfs/dbraw/zinc/21/32/82/914213282.db2.gz RMFVAMUZOORVBL-LBPRGKRZSA-N 0 1 282.300 0.978 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001116938566 898411027 /nfs/dbraw/zinc/41/10/27/898411027.db2.gz UGVLKQUHGKFALG-UHFFFAOYSA-N 0 1 294.246 0.706 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001458445434 902034037 /nfs/dbraw/zinc/03/40/37/902034037.db2.gz DBCFLCXTWLMMKS-UHFFFAOYSA-N 0 1 267.201 0.420 20 5 CCBDMN O=C(Cc1ccccc1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001283004543 904667316 /nfs/dbraw/zinc/66/73/16/904667316.db2.gz FMMXZIRJKFKAJM-VXGBXAGGSA-N 0 1 291.307 0.127 20 5 CCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC ZINC001284705042 905420530 /nfs/dbraw/zinc/42/05/30/905420530.db2.gz LVBVDIIRHILGKK-NXEZZACHSA-N 0 1 271.317 0.416 20 5 CCBDMN NC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001292742862 906335920 /nfs/dbraw/zinc/33/59/20/906335920.db2.gz KDDUCIFGVVJFIG-IVZWLZJFSA-N 0 1 269.301 0.156 20 5 CCBDMN CNc1nccc(C(=O)NC23CCN(CC2)C3)c1[N+](=O)[O-] ZINC001302360514 908018601 /nfs/dbraw/zinc/01/86/01/908018601.db2.gz CFDHKXZEVNFSMI-UHFFFAOYSA-N 0 1 291.311 0.610 20 5 CCBDMN CS(=O)(=O)NCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001320080360 910454607 /nfs/dbraw/zinc/45/46/07/910454607.db2.gz FKFAAXRYRHOHIG-UHFFFAOYSA-N 0 1 291.285 0.019 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1N1CCCN(CCO)CC1 ZINC001320710944 910819490 /nfs/dbraw/zinc/81/94/90/910819490.db2.gz HCASCCJQTALFLI-UHFFFAOYSA-N 0 1 280.328 0.803 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC001332985556 918580905 /nfs/dbraw/zinc/58/09/05/918580905.db2.gz PYBONBSPMQHSFY-ZETCQYMHSA-N 0 1 293.287 0.910 20 5 CCBDMN CCN1CCN(C2CN(c3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC001336738218 920969495 /nfs/dbraw/zinc/96/94/95/920969495.db2.gz UXRJYUIZRGLZKE-UHFFFAOYSA-N 0 1 294.359 0.154 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC(OCCO)CC2)c1[N+](=O)[O-] ZINC001341682378 922623167 /nfs/dbraw/zinc/62/31/67/922623167.db2.gz CMGBOKJDUFFCNV-UHFFFAOYSA-N 0 1 298.299 0.240 20 5 CCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(C)(C)F ZINC001351467104 925422529 /nfs/dbraw/zinc/42/25/29/925422529.db2.gz SZADYODPOLHBAP-RKDXNWHRSA-N 0 1 289.307 0.364 20 5 CCBDMN C[N@H+]1CCC[C@H]1Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O ZINC001598592387 993454271 /nfs/dbraw/zinc/45/42/71/993454271.db2.gz DMEGZKZFGFXOQX-VIFPVBQESA-N 0 1 281.268 0.549 20 5 CCBDMN CCc1nn(C)c(NCc2nn[nH]n2)c1[N+](=O)[O-] ZINC000091559489 349467348 /nfs/dbraw/zinc/46/73/48/349467348.db2.gz RKOFOCNBNKSELN-UHFFFAOYSA-N 0 1 252.238 0.016 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000599632439 361765422 /nfs/dbraw/zinc/76/54/22/361765422.db2.gz NSPYHIAFWKIBBU-XAAFQQQXSA-N 0 1 298.368 0.777 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000124928737 187161644 /nfs/dbraw/zinc/16/16/44/187161644.db2.gz XZLXDBLJCDMGCT-SNVBAGLBSA-N 0 1 263.297 0.958 20 5 CCBDMN CC[C@@H]1CN(CC)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000456357305 529386507 /nfs/dbraw/zinc/38/65/07/529386507.db2.gz SBVHUVYNVYRLFF-SNVBAGLBSA-N 0 1 296.331 0.129 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC3(C2)CCCO3)c1[N+](=O)[O-] ZINC000600314636 361926574 /nfs/dbraw/zinc/92/65/74/361926574.db2.gz QQMPOUKCMCRXNB-UHFFFAOYSA-N 0 1 280.284 0.885 20 5 CCBDMN C[C@@H](C[S@](C)=O)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000126155561 187220418 /nfs/dbraw/zinc/22/04/18/187220418.db2.gz NOOXOHFZBKNRTI-NIVTXAMTSA-N 0 1 274.346 0.490 20 5 CCBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NCCN1CC[C@@H](O)C1 ZINC000600537147 362006849 /nfs/dbraw/zinc/00/68/49/362006849.db2.gz XWWJMDMSNOQSPS-CYBMUJFWSA-N 0 1 293.323 0.320 20 5 CCBDMN CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](CO)C1 ZINC000601979223 362449320 /nfs/dbraw/zinc/44/93/20/362449320.db2.gz AJFNJUXGJNZYLU-SNVBAGLBSA-N 0 1 291.311 0.584 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN1CC[C@@](C)(C(N)=O)C1 ZINC000361551504 232152297 /nfs/dbraw/zinc/15/22/97/232152297.db2.gz KAICZVYCSDWGAM-LLVKDONJSA-N 0 1 267.289 0.026 20 5 CCBDMN Cn1cc(CN2C[C@@H]3COC[C@]3(C)C2)c([N+](=O)[O-])n1 ZINC000602712633 362765197 /nfs/dbraw/zinc/76/51/97/362765197.db2.gz ZHPYIXYOGMRXGY-PWSUYJOCSA-N 0 1 266.301 0.797 20 5 CCBDMN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@]1(C)CO ZINC000602722072 362770540 /nfs/dbraw/zinc/77/05/40/362770540.db2.gz LVSPQUKBBUJONB-BXKDBHETSA-N 0 1 268.317 0.779 20 5 CCBDMN CCO[C@@H]1COCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602821012 362818085 /nfs/dbraw/zinc/81/80/85/362818085.db2.gz VTGSXNGKXLQSDQ-WDEREUQCSA-N 0 1 284.316 0.612 20 5 CCBDMN C[C@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCOC1 ZINC000343386345 137131615 /nfs/dbraw/zinc/13/16/15/137131615.db2.gz LQUKGMBAQQCIJL-SNVBAGLBSA-N 0 1 254.246 0.474 20 5 CCBDMN O=C(NCc1ccc(F)cn1)c1n[nH]cc1[N+](=O)[O-] ZINC000344278035 137187124 /nfs/dbraw/zinc/18/71/24/137187124.db2.gz NLGJAYMFQVMLSH-UHFFFAOYSA-N 0 1 265.204 0.782 20 5 CCBDMN Cc1c(C(=O)NCc2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000037921189 348219125 /nfs/dbraw/zinc/21/91/25/348219125.db2.gz UDNQMLAOLXDLJT-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc[nH]1 ZINC000041031548 348246143 /nfs/dbraw/zinc/24/61/43/348246143.db2.gz GHDGXILJXGWFDF-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN Cc1nc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000041010748 348246376 /nfs/dbraw/zinc/24/63/76/348246376.db2.gz PVASPWXSZLRJLE-LLVKDONJSA-N 0 1 297.340 0.707 20 5 CCBDMN C[C@@H](CO)N1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000347090024 137319690 /nfs/dbraw/zinc/31/96/90/137319690.db2.gz IOZZKYMCOLMSHF-JTQLQIEISA-N 0 1 296.327 0.452 20 5 CCBDMN O=C(NCCCCN1CCOCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000048285187 348403840 /nfs/dbraw/zinc/40/38/40/348403840.db2.gz RBKOHQMNYUCCTI-UHFFFAOYSA-N 0 1 296.327 0.765 20 5 CCBDMN CC(C)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000049033059 348436024 /nfs/dbraw/zinc/43/60/24/348436024.db2.gz OZFHWOBAAFQAGF-UHFFFAOYSA-N 0 1 281.316 0.344 20 5 CCBDMN Cc1[nH]ncc1CCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000050469832 348476421 /nfs/dbraw/zinc/47/64/21/348476421.db2.gz DDOQRTYKZANRJD-UHFFFAOYSA-N 0 1 292.299 0.572 20 5 CCBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC(N)=O ZINC000052831011 348515492 /nfs/dbraw/zinc/51/54/92/348515492.db2.gz CIMCCFGJJRIREL-UHFFFAOYSA-N 0 1 294.311 0.649 20 5 CCBDMN O=[N+]([O-])c1ccc(OCCN2CCN(CCO)CC2)cc1 ZINC000065208363 348707823 /nfs/dbraw/zinc/70/78/23/348707823.db2.gz MCQJAMGSNRBKGK-UHFFFAOYSA-N 0 1 295.339 0.584 20 5 CCBDMN CO[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000076480756 349085247 /nfs/dbraw/zinc/08/52/47/349085247.db2.gz QQVWHJAIRAJCBQ-MRVPVSSYSA-N 0 1 268.273 0.877 20 5 CCBDMN Nc1nc(N2CCN(CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC000076871014 349093912 /nfs/dbraw/zinc/09/39/12/349093912.db2.gz VMRKTWQBZZNUQD-UHFFFAOYSA-N 0 1 278.316 0.499 20 5 CCBDMN CN(C)CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000088325429 349360171 /nfs/dbraw/zinc/36/01/71/349360171.db2.gz DJNFCUFHLSZHBL-UHFFFAOYSA-N 0 1 287.341 0.777 20 5 CCBDMN CN1C(=O)CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1=O ZINC000090026171 349421781 /nfs/dbraw/zinc/42/17/81/349421781.db2.gz NCELGZNFMGXOQO-NSHDSACASA-N 0 1 277.280 0.832 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H]2C[C@@]2(O)C1 ZINC000603085281 362954158 /nfs/dbraw/zinc/95/41/58/362954158.db2.gz DUVBASQTDDVDHW-MWLCHTKSSA-N 0 1 252.274 0.166 20 5 CCBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000146215367 350465856 /nfs/dbraw/zinc/46/58/56/350465856.db2.gz WBBWLGHSBYJLTB-MRVPVSSYSA-N 0 1 264.285 0.889 20 5 CCBDMN CN1CCN(CCNc2cccnc2[N+](=O)[O-])CC1 ZINC000159316063 350675592 /nfs/dbraw/zinc/67/55/92/350675592.db2.gz AYHANNVWZUHBET-UHFFFAOYSA-N 0 1 265.317 0.649 20 5 CCBDMN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1nnc[nH]1 ZINC000174547029 351091541 /nfs/dbraw/zinc/09/15/41/351091541.db2.gz BDEMTOGLBTXVIP-MRVPVSSYSA-N 0 1 291.267 0.969 20 5 CCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1nnc[nH]1 ZINC000230698779 352117648 /nfs/dbraw/zinc/11/76/48/352117648.db2.gz LTZJUGOGRWWSOF-YFKPBYRVSA-N 0 1 277.244 0.181 20 5 CCBDMN C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000267265753 352755181 /nfs/dbraw/zinc/75/51/81/352755181.db2.gz URMAEDXYEXPKGY-MRVPVSSYSA-N 0 1 282.300 0.765 20 5 CCBDMN C[C@H](O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272643543 353082098 /nfs/dbraw/zinc/08/20/98/353082098.db2.gz DWMXGQFGVPWVSA-ZETCQYMHSA-N 0 1 254.242 0.801 20 5 CCBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@H](C)CN1CCO ZINC000419000203 234282920 /nfs/dbraw/zinc/28/29/20/234282920.db2.gz OCGWJIMZLQPWMV-GHMZBOCLSA-N 0 1 280.328 0.881 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000272811042 353096853 /nfs/dbraw/zinc/09/68/53/353096853.db2.gz LBHSDOVGSAZCMT-HTQZYQBOSA-N 0 1 282.300 0.723 20 5 CCBDMN CCc1n[nH]c(C(=O)N2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000275034449 353180945 /nfs/dbraw/zinc/18/09/45/353180945.db2.gz QIWWDKMLMGPTJJ-UHFFFAOYSA-N 0 1 281.316 0.658 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000275034449 353180947 /nfs/dbraw/zinc/18/09/47/353180947.db2.gz QIWWDKMLMGPTJJ-UHFFFAOYSA-N 0 1 281.316 0.658 20 5 CCBDMN CN(CCOCCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000282449399 353425507 /nfs/dbraw/zinc/42/55/07/353425507.db2.gz KCHBJTRXKFZGEL-ZDUSSCGKSA-N 0 1 284.312 0.569 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@](F)(CO)C2)c1[N+](=O)[O-] ZINC000286659749 353602687 /nfs/dbraw/zinc/60/26/87/353602687.db2.gz DTMFGSIAPCCVIP-LLVKDONJSA-N 0 1 286.263 0.563 20 5 CCBDMN Cc1nc(N2CCN(C[C@H](C)O)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000295092244 353891292 /nfs/dbraw/zinc/89/12/92/353891292.db2.gz SIPKFWYNRDJTPG-UWVGGRQHSA-N 0 1 295.343 0.585 20 5 CCBDMN C[C@H]1N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1(C)C ZINC000331056519 354431600 /nfs/dbraw/zinc/43/16/00/354431600.db2.gz PYGKJCXNONHITK-PWSUYJOCSA-N 0 1 298.343 0.652 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](CCO)C2)c1[N+](=O)[O-] ZINC000332663196 354714756 /nfs/dbraw/zinc/71/47/56/354714756.db2.gz BZESYAAMVAPFLD-QMMMGPOBSA-N 0 1 282.300 0.725 20 5 CCBDMN O=C(N[C@H]1CC[S@](=O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000334029658 354836690 /nfs/dbraw/zinc/83/66/90/354836690.db2.gz IVLKZHGSPUUKMF-RLBGWGEZSA-N 0 1 284.293 0.551 20 5 CCBDMN CN(Cc1nnnn1C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339017985 355470582 /nfs/dbraw/zinc/47/05/82/355470582.db2.gz RDSSHKTVXNXLLD-UHFFFAOYSA-N 0 1 278.272 0.456 20 5 CCBDMN Cn1ccc(=NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[nH]1 ZINC000427941416 235387308 /nfs/dbraw/zinc/38/73/08/235387308.db2.gz ZZRQKHDROJBUML-UHFFFAOYSA-N 0 1 262.225 0.708 20 5 CCBDMN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1COC[C@H]1O ZINC000352817172 356088885 /nfs/dbraw/zinc/08/88/85/356088885.db2.gz QBLLILKGXVSTTQ-QWHCGFSZSA-N 0 1 282.296 0.665 20 5 CCBDMN C[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000560325568 291094969 /nfs/dbraw/zinc/09/49/69/291094969.db2.gz FMTWKYDYLONLTC-SECBINFHSA-N 0 1 293.327 0.874 20 5 CCBDMN C[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000560325568 291094972 /nfs/dbraw/zinc/09/49/72/291094972.db2.gz FMTWKYDYLONLTC-SECBINFHSA-N 0 1 293.327 0.874 20 5 CCBDMN Cc1cc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000609594687 363507819 /nfs/dbraw/zinc/50/78/19/363507819.db2.gz CTEHQIIENJXOLI-UHFFFAOYSA-N 0 1 292.299 0.874 20 5 CCBDMN O=C(N[C@H](CO)c1cccc(F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000356367577 356754309 /nfs/dbraw/zinc/75/43/09/356754309.db2.gz UIAPOYMEKDZQGO-SECBINFHSA-N 0 1 294.242 0.920 20 5 CCBDMN COCC[C@@H](COC)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000359517334 356836892 /nfs/dbraw/zinc/83/68/92/356836892.db2.gz NOGDFIAUPBNQFH-ZETCQYMHSA-N 0 1 272.261 0.099 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000366853434 357245183 /nfs/dbraw/zinc/24/51/83/357245183.db2.gz PHCNVIUCJIFYBN-QMMMGPOBSA-N 0 1 282.300 0.989 20 5 CCBDMN COC[C@H]1CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000294495263 199061792 /nfs/dbraw/zinc/06/17/92/199061792.db2.gz XHGBDIPOMLAGKW-SSDOTTSWSA-N 0 1 254.246 0.487 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000408367953 358056009 /nfs/dbraw/zinc/05/60/09/358056009.db2.gz ZRPYMLJKHZVODT-QMMMGPOBSA-N 0 1 268.273 0.471 20 5 CCBDMN COc1ccc(CC(=O)NCCN2CCC2)cc1[N+](=O)[O-] ZINC000533566279 358542618 /nfs/dbraw/zinc/54/26/18/358542618.db2.gz JPRMQNDMSPUBLC-UHFFFAOYSA-N 0 1 293.323 0.968 20 5 CCBDMN COCC1(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000567950727 358616776 /nfs/dbraw/zinc/61/67/76/358616776.db2.gz XNQXCLISJMNELT-UHFFFAOYSA-N 0 1 268.273 0.864 20 5 CCBDMN CCC[C@H](C)[C@@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000584059005 359165391 /nfs/dbraw/zinc/16/53/91/359165391.db2.gz WXXCWCIZBRBXRA-JGVFFNPUSA-N 0 1 270.289 0.845 20 5 CCBDMN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)n[nH]1 ZINC000586780881 359288879 /nfs/dbraw/zinc/28/88/79/359288879.db2.gz FLQMRLFEHYFQEO-UHFFFAOYSA-N 0 1 250.218 0.279 20 5 CCBDMN CN1CC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])cn1C)C2 ZINC000589939990 359411267 /nfs/dbraw/zinc/41/12/67/359411267.db2.gz KKRBYZQOVFUHBM-UHFFFAOYSA-N 0 1 278.312 0.711 20 5 CCBDMN C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000590335252 359440544 /nfs/dbraw/zinc/44/05/44/359440544.db2.gz VFTGNAGWARCSAG-GHMZBOCLSA-N 0 1 294.311 0.908 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(O)(CC)C2)c1[N+](=O)[O-] ZINC000591080162 359555271 /nfs/dbraw/zinc/55/52/71/359555271.db2.gz XVNNDQZNLNLSGX-UHFFFAOYSA-N 0 1 268.273 0.477 20 5 CCBDMN C[C@@H](O)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000591763601 359654725 /nfs/dbraw/zinc/65/47/25/359654725.db2.gz NTALMEUVVJDADD-SSDOTTSWSA-N 0 1 250.258 0.942 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1-c1nc(C2(N)CCC2)no1 ZINC000563121332 291196235 /nfs/dbraw/zinc/19/62/35/291196235.db2.gz OQHLBTXFOJOYKM-UHFFFAOYSA-N 0 1 264.245 0.716 20 5 CCBDMN CC1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000592331134 359819447 /nfs/dbraw/zinc/81/94/47/359819447.db2.gz JDUAXECHBARJDT-UHFFFAOYSA-N 0 1 280.284 0.649 20 5 CCBDMN NCc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)o1 ZINC000592223086 359802293 /nfs/dbraw/zinc/80/22/93/359802293.db2.gz DZOHMDQWPNKJAF-UHFFFAOYSA-N 0 1 279.256 0.273 20 5 CCBDMN CO[C@@H]1COC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000563197339 291204098 /nfs/dbraw/zinc/20/40/98/291204098.db2.gz HVXLBLZEVOHTOE-GHMZBOCLSA-N 0 1 282.252 0.444 20 5 CCBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])NC1CCCC1 ZINC000611202295 363679740 /nfs/dbraw/zinc/67/97/40/363679740.db2.gz YPBDFOPRSWKENU-UHFFFAOYSA-N 0 1 281.272 0.107 20 5 CCBDMN O=C(NCC[C@@]1(O)CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000593813889 360165628 /nfs/dbraw/zinc/16/56/28/360165628.db2.gz QZKWFOQTDJNAKE-CYBMUJFWSA-N 0 1 296.279 0.572 20 5 CCBDMN C[C@H](O)C1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000595361810 360507428 /nfs/dbraw/zinc/50/74/28/360507428.db2.gz RPPMLTAEGKULFA-ZETCQYMHSA-N 0 1 287.297 0.182 20 5 CCBDMN Cc1noc(CN2CC[C@](C)(C(N)=O)C2)c1[N+](=O)[O-] ZINC000595467213 360542649 /nfs/dbraw/zinc/54/26/49/360542649.db2.gz QFAQAIYVSHYLDP-NSHDSACASA-N 0 1 268.273 0.589 20 5 CCBDMN O=[N+]([O-])c1cnc2ccc(N[C@H]3CC[N@H+](C4CC4)C3)nn21 ZINC000596091967 360791824 /nfs/dbraw/zinc/79/18/24/360791824.db2.gz QTNMBOBWBDQBJG-VIFPVBQESA-N 0 1 288.311 0.708 20 5 CCBDMN CC[C@@H](CO)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596139456 360809231 /nfs/dbraw/zinc/80/92/31/360809231.db2.gz AWRHEUWCECYFAX-JTQLQIEISA-N 0 1 296.327 0.588 20 5 CCBDMN CCc1nc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])n[nH]1 ZINC000596254405 360854560 /nfs/dbraw/zinc/85/45/60/360854560.db2.gz CNCYXCAIGUAZJE-UHFFFAOYSA-N 0 1 264.245 0.988 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1NCc1n[nH]c(COC)n1 ZINC000596435072 360895244 /nfs/dbraw/zinc/89/52/44/360895244.db2.gz AVXAYMDPFPNZOE-UHFFFAOYSA-N 0 1 295.303 0.996 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1NCc1nnc(COC)[nH]1 ZINC000596435072 360895247 /nfs/dbraw/zinc/89/52/47/360895247.db2.gz AVXAYMDPFPNZOE-UHFFFAOYSA-N 0 1 295.303 0.996 20 5 CCBDMN CN(Cc1cnc[nH]1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000597864289 361272723 /nfs/dbraw/zinc/27/27/23/361272723.db2.gz OXTLUNDXFIJXIC-UHFFFAOYSA-N 0 1 278.272 0.563 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](O)C(F)(F)C2)c1[N+](=O)[O-] ZINC000597999720 361306352 /nfs/dbraw/zinc/30/63/52/361306352.db2.gz HCPRBIQFBYNRBZ-LURJTMIESA-N 0 1 290.226 0.468 20 5 CCBDMN CNc1nccc(C(=O)N(C)CC2CN(C)C2)c1[N+](=O)[O-] ZINC000598162657 361346958 /nfs/dbraw/zinc/34/69/58/361346958.db2.gz ZBQWZCFQGVEQRG-UHFFFAOYSA-N 0 1 293.327 0.087 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)C(O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598187418 361352668 /nfs/dbraw/zinc/35/26/68/361352668.db2.gz LSXAEBHMWXHSRK-BQBZGAKWSA-N 0 1 282.300 0.715 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)Cc2cn(C)nn2)c1[N+](=O)[O-] ZINC000598224910 361357964 /nfs/dbraw/zinc/35/79/64/361357964.db2.gz HVKUSLWKSCYNKL-UHFFFAOYSA-N 0 1 279.260 0.027 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](CO)[C@H]2C)c1[N+](=O)[O-] ZINC000598741187 361504838 /nfs/dbraw/zinc/50/48/38/361504838.db2.gz WBUUVGSKLKDJRD-BDAKNGLRSA-N 0 1 282.300 0.859 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000598787674 361517690 /nfs/dbraw/zinc/51/76/90/361517690.db2.gz YKUTTZIMWIRAGC-VXNVDRBHSA-N 0 1 282.300 0.717 20 5 CCBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCOC[C@H]2O)cs1 ZINC000599012588 361555875 /nfs/dbraw/zinc/55/58/75/361555875.db2.gz UBAHSJFALFIDHL-RKDXNWHRSA-N 0 1 258.299 0.896 20 5 CCBDMN COCCCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599213555 361613615 /nfs/dbraw/zinc/61/36/15/361613615.db2.gz OLNFKAOJPIBLOR-UHFFFAOYSA-N 0 1 292.317 0.033 20 5 CCBDMN Cn1cc(CCN2CCc3ncc([N+](=O)[O-])cc3C2)nn1 ZINC000599354474 361666259 /nfs/dbraw/zinc/66/62/59/361666259.db2.gz WWRVMIJEMKJJGT-UHFFFAOYSA-N 0 1 288.311 0.719 20 5 CCBDMN COc1cc(C(=O)NCc2nn[nH]n2)cc([N+](=O)[O-])c1C ZINC000616334632 365272514 /nfs/dbraw/zinc/27/25/14/365272514.db2.gz JEKZGLCUEJCUHY-UHFFFAOYSA-N 0 1 292.255 0.355 20 5 CCBDMN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(N)=O ZINC000275475825 193052816 /nfs/dbraw/zinc/05/28/16/193052816.db2.gz MPHRIRYJMAROSP-UHFFFAOYSA-N 0 1 298.274 0.480 20 5 CCBDMN NC(=O)[C@]1(O)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000276450796 193336420 /nfs/dbraw/zinc/33/64/20/193336420.db2.gz MWLIHMAJGXEDCO-LBPRGKRZSA-N 0 1 265.269 0.017 20 5 CCBDMN CCN(CC(N)=O)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000276601389 193395451 /nfs/dbraw/zinc/39/54/51/193395451.db2.gz MAABBVISOKKFQQ-UHFFFAOYSA-N 0 1 291.267 0.419 20 5 CCBDMN O=[N+]([O-])c1cccc(CN2CCC[C@](O)(CO)C2)c1 ZINC000313644294 249000385 /nfs/dbraw/zinc/00/03/85/249000385.db2.gz UHNLUTQWBAQZHK-CYBMUJFWSA-N 0 1 266.297 0.914 20 5 CCBDMN O=C(Nc1ccncc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2 ZINC000515517765 249137612 /nfs/dbraw/zinc/13/76/12/249137612.db2.gz NYTAGYIFVKVDGZ-AOOOYVTPSA-N 0 1 291.311 0.770 20 5 CCBDMN COCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000518077855 249239393 /nfs/dbraw/zinc/23/93/93/249239393.db2.gz VMKPAGBZWGGTJI-SNVBAGLBSA-N 0 1 296.327 0.384 20 5 CCBDMN C[N@@H+]1C[C@H]2CN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000279166485 194314223 /nfs/dbraw/zinc/31/42/23/194314223.db2.gz GOHQNOKRNYULCY-PHIMTYICSA-N 0 1 291.307 0.934 20 5 CCBDMN CCN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000288649356 197136291 /nfs/dbraw/zinc/13/62/91/197136291.db2.gz ZQOSURHPWFTGEF-NSHDSACASA-N 0 1 295.343 0.734 20 5 CCBDMN Cc1c(NC(=O)[C@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000043708886 388869676 /nfs/dbraw/zinc/86/96/76/388869676.db2.gz DTNGVQXGSRERHB-LLVKDONJSA-N 0 1 265.269 0.830 20 5 CCBDMN C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000188448070 388928222 /nfs/dbraw/zinc/92/82/22/388928222.db2.gz HIPJAGKWPBSJGS-VIFPVBQESA-N 0 1 294.311 0.767 20 5 CCBDMN C[N@@H+]1CCC[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000188448070 388928225 /nfs/dbraw/zinc/92/82/25/388928225.db2.gz HIPJAGKWPBSJGS-VIFPVBQESA-N 0 1 294.311 0.767 20 5 CCBDMN C[N@H+]1CCC[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000188448070 388928228 /nfs/dbraw/zinc/92/82/28/388928228.db2.gz HIPJAGKWPBSJGS-VIFPVBQESA-N 0 1 294.311 0.767 20 5 CCBDMN CC(C)N(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1COC1 ZINC000295415375 389007308 /nfs/dbraw/zinc/00/73/08/389007308.db2.gz NBHCIXUWHWDTEZ-GFCCVEGCSA-N 0 1 284.316 0.261 20 5 CCBDMN C[C@H]1CNCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000125870603 389167997 /nfs/dbraw/zinc/16/79/97/389167997.db2.gz NJRPNHUVZMKAPZ-NSHDSACASA-N 0 1 292.339 0.851 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000264322310 389321207 /nfs/dbraw/zinc/32/12/07/389321207.db2.gz XWKQVMIGLJXOJN-MRVPVSSYSA-N 0 1 295.299 0.319 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](O)C2)c1[N+](=O)[O-] ZINC000264556487 389336089 /nfs/dbraw/zinc/33/60/89/389336089.db2.gz MAPRTQLDCAZESV-ZETCQYMHSA-N 0 1 268.273 0.477 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000263854313 389302566 /nfs/dbraw/zinc/30/25/66/389302566.db2.gz FOWBZRKPCMLYPE-ZETCQYMHSA-N 0 1 268.273 0.877 20 5 CCBDMN CCOC(=O)[C@H]1NCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000422939690 389508146 /nfs/dbraw/zinc/50/81/46/389508146.db2.gz IDJWCHABXSMTFP-STQMWFEESA-N 0 1 293.323 0.978 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000351866724 389703307 /nfs/dbraw/zinc/70/33/07/389703307.db2.gz XMDAJNMDDUYJSU-HTRCEHHLSA-N 0 1 268.273 0.333 20 5 CCBDMN O=C(NCc1nc2cccnc2[nH]1)c1n[nH]cc1[N+](=O)[O-] ZINC000352099281 389752789 /nfs/dbraw/zinc/75/27/89/389752789.db2.gz WBRLIQFYPUQSGP-UHFFFAOYSA-N 0 1 287.239 0.519 20 5 CCBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405197004 389813445 /nfs/dbraw/zinc/81/34/45/389813445.db2.gz AVHGGLUGVJOPBX-QWHCGFSZSA-N 0 1 291.307 0.486 20 5 CCBDMN COCCO[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000444471695 389907308 /nfs/dbraw/zinc/90/73/08/389907308.db2.gz GCIVMHYWBMKWND-SECBINFHSA-N 0 1 298.299 0.504 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2C[C@@H](O)[C@H](O)C2)c1 ZINC000444716950 389915302 /nfs/dbraw/zinc/91/53/02/389915302.db2.gz QRKXCZPQDKOENL-VXGBXAGGSA-N 0 1 268.269 0.011 20 5 CCBDMN CC1(C(N)=O)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000565424436 390513546 /nfs/dbraw/zinc/51/35/46/390513546.db2.gz UCPZFFUPUPLRPQ-UHFFFAOYSA-N 0 1 279.252 0.248 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCn2nncc2C1 ZINC000565432816 390514718 /nfs/dbraw/zinc/51/47/18/390514718.db2.gz NPDWDIYQCMEFCF-UHFFFAOYSA-N 0 1 275.268 0.908 20 5 CCBDMN C[N@H+]1CC[C@@H]2CN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC000578753075 390900289 /nfs/dbraw/zinc/90/02/89/390900289.db2.gz IDZHBLHFQLTCAW-KCJUWKMLSA-N 0 1 292.295 0.828 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000330378237 533320111 /nfs/dbraw/zinc/32/01/11/533320111.db2.gz FVRLHFQOFFKIJA-RQJHMYQMSA-N 0 1 254.246 0.473 20 5 CCBDMN CO[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000451751339 533473969 /nfs/dbraw/zinc/47/39/69/533473969.db2.gz UNCDLEBVMVCYTR-CHWSQXEVSA-N 0 1 282.296 0.665 20 5 CCBDMN CCN1CC(=O)N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000189888621 130036211 /nfs/dbraw/zinc/03/62/11/130036211.db2.gz QBSIVQWVPXPQEZ-LBPRGKRZSA-N 0 1 281.268 0.759 20 5 CCBDMN CN1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000269199337 132129813 /nfs/dbraw/zinc/12/98/13/132129813.db2.gz QQGWVIWGDSLHGL-QMMMGPOBSA-N 0 1 279.252 0.261 20 5 CCBDMN C[C@H](Cn1cncn1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269287815 132149868 /nfs/dbraw/zinc/14/98/68/132149868.db2.gz OMDXDSUYRUZZCP-MRVPVSSYSA-N 0 1 291.267 0.710 20 5 CCBDMN C[C@@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275415198 135106212 /nfs/dbraw/zinc/10/62/12/135106212.db2.gz SSGSJPIEQVAOOH-WDEREUQCSA-N 0 1 280.328 0.881 20 5 CCBDMN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356459761 144004640 /nfs/dbraw/zinc/00/46/40/144004640.db2.gz QBLLHHHRMDCFEW-UHFFFAOYSA-N 0 1 281.316 0.496 20 5 CCBDMN Cn1cnnc1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356513516 144009853 /nfs/dbraw/zinc/00/98/53/144009853.db2.gz OFKVHHSSEZBZSE-UHFFFAOYSA-N 0 1 291.267 0.401 20 5 CCBDMN C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356806325 144035254 /nfs/dbraw/zinc/03/52/54/144035254.db2.gz SDBFSUUVSHBJCS-PRHODGIISA-N 0 1 296.279 0.522 20 5 CCBDMN CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CCCN(C)C1 ZINC000357043868 144053137 /nfs/dbraw/zinc/05/31/37/144053137.db2.gz ULCJFTJRJBZZCC-SECBINFHSA-N 0 1 281.316 0.495 20 5 CCBDMN O=C(NC1(CO)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357636762 144107127 /nfs/dbraw/zinc/10/71/27/144107127.db2.gz PEEYEYQVFKWJBU-UHFFFAOYSA-N 0 1 252.226 0.555 20 5 CCBDMN O=C(N[C@H]1COc2ccccc2C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000371477466 144333175 /nfs/dbraw/zinc/33/31/75/144333175.db2.gz MCIPASPQUAVSJV-KXUCPTDWSA-N 0 1 276.248 0.412 20 5 CCBDMN C[C@H](CN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1)c1nn[nH]n1 ZINC000274812229 278176857 /nfs/dbraw/zinc/17/68/57/278176857.db2.gz VWNAEOXROCSOOT-ZCFIWIBFSA-N 0 1 279.260 0.312 20 5 CCBDMN COC[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299573807 293016377 /nfs/dbraw/zinc/01/63/77/293016377.db2.gz WOHFDCXGRLGSGN-LURJTMIESA-N 0 1 256.262 0.733 20 5 CCBDMN Nc1nccc(C(=O)N[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000576594884 335224190 /nfs/dbraw/zinc/22/41/90/335224190.db2.gz CDHNOCYKLCENKN-QMMMGPOBSA-N 0 1 291.311 0.369 20 5 CCBDMN O=C(CNCc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000052926393 526883726 /nfs/dbraw/zinc/88/37/26/526883726.db2.gz CYNYOCQGEFDUNE-UHFFFAOYSA-N 0 1 279.296 0.543 20 5 CCBDMN CCC[C@H](O)[C@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000412525025 528321930 /nfs/dbraw/zinc/32/19/30/528321930.db2.gz LEJUOTLEZYRLKL-RYUDHWBXSA-N 0 1 298.295 0.552 20 5 CCBDMN CC[C@H](C[C@@H](C)CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345053834 536129933 /nfs/dbraw/zinc/12/99/33/536129933.db2.gz HHSAOYSWZCQHBJ-HTQZYQBOSA-N 0 1 270.289 0.845 20 5 CCBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1nnc[nH]1 ZINC000791393925 581219718 /nfs/dbraw/zinc/21/97/18/581219718.db2.gz URIKXNSSVJSAIB-RXMQYKEDSA-N 0 1 294.246 0.925 20 5 CCBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1nnnn1C ZINC000796933662 581455725 /nfs/dbraw/zinc/45/57/25/581455725.db2.gz HDJAJFJPWXSANA-RXMQYKEDSA-N 0 1 266.217 0.364 20 5 CCBDMN CCc1nc(COC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000754868402 581613960 /nfs/dbraw/zinc/61/39/60/581613960.db2.gz SJRZUOUPNWUYFS-UHFFFAOYSA-N 0 1 280.244 0.366 20 5 CCBDMN COC[C@H](Cn1cncn1)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000756616512 581672896 /nfs/dbraw/zinc/67/28/96/581672896.db2.gz YHFTWSJFHHUQFQ-QMMMGPOBSA-N 0 1 295.255 0.386 20 5 CCBDMN C=CC(=O)NCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000772941784 581902083 /nfs/dbraw/zinc/90/20/83/581902083.db2.gz OMPLZGWIZUUCIG-UHFFFAOYSA-N 0 1 279.252 0.332 20 5 CCBDMN O=C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000776581861 582080580 /nfs/dbraw/zinc/08/05/80/582080580.db2.gz NVVKXFHDKMWDDG-GFCCVEGCSA-N 0 1 279.296 0.450 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C(=O)[O-] ZINC000828449711 601515921 /nfs/dbraw/zinc/51/59/21/601515921.db2.gz MXEKTQWOWCMYDC-SCZZXKLOSA-N 0 1 268.273 0.444 20 5 CCBDMN CN(C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000828223304 603997134 /nfs/dbraw/zinc/99/71/34/603997134.db2.gz LCJFXYYENBCSLX-SNVBAGLBSA-N 0 1 297.315 0.866 20 5 CCBDMN CC(C)(C)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839747203 614027101 /nfs/dbraw/zinc/02/71/01/614027101.db2.gz AFKNKDNXZWDDGA-BBBLOLIVSA-N 0 1 256.302 0.925 20 5 CCBDMN COc1ccc(CN[C@@]2(C)CCNC2=O)cc1[N+](=O)[O-] ZINC000897870925 617260224 /nfs/dbraw/zinc/26/02/24/617260224.db2.gz CDUNNNKNMUKHPQ-ZDUSSCGKSA-N 0 1 279.296 0.972 20 5 CCBDMN CC(C)O[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000928747329 614046481 /nfs/dbraw/zinc/04/64/81/614046481.db2.gz KYUOGJFPPWXYHA-CKYFFXLPSA-N 0 1 272.301 0.352 20 5 CCBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])OCC1CC1 ZINC000839845859 614106016 /nfs/dbraw/zinc/10/60/16/614106016.db2.gz NUDIBRRNQDPFPE-NXEZZACHSA-N 0 1 256.302 0.973 20 5 CCBDMN CC(C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnn(C)c1 ZINC000885416559 614235572 /nfs/dbraw/zinc/23/55/72/614235572.db2.gz FZOFZHXBYISCOS-MXWKQRLJSA-N 0 1 266.301 0.899 20 5 CCBDMN CC/C=C/[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000851336433 614418782 /nfs/dbraw/zinc/41/87/82/614418782.db2.gz WCGNCRYGQJTYLB-CAFNPDQUSA-N 0 1 257.242 0.703 20 5 CCBDMN CCOC(=O)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839501397 615171184 /nfs/dbraw/zinc/17/11/84/615171184.db2.gz DDMSBXWZYUKPCM-GHMZBOCLSA-N 0 1 284.312 0.843 20 5 CCBDMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000827823346 615842837 /nfs/dbraw/zinc/84/28/37/615842837.db2.gz UTXCFZCWGPROBM-SNVBAGLBSA-N 0 1 297.315 0.866 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000840440416 615867437 /nfs/dbraw/zinc/86/74/37/615867437.db2.gz AUMJNEZPIFNZBQ-IJLUTSLNSA-N 0 1 291.307 0.727 20 5 CCBDMN CC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000839748565 615902397 /nfs/dbraw/zinc/90/23/97/615902397.db2.gz UELKZTKMJGQLBI-WGBDABJCSA-N 0 1 284.312 0.448 20 5 CCBDMN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1C ZINC000839734307 616302275 /nfs/dbraw/zinc/30/22/75/616302275.db2.gz RTWAZBUNLZHLDP-FNCVBFRFSA-N 0 1 256.258 0.062 20 5 CCBDMN CN1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000900288364 616321357 /nfs/dbraw/zinc/32/13/57/616321357.db2.gz VSFABRWNHFSHEO-JSGCOSHPSA-N 0 1 293.323 0.666 20 5 CCBDMN COC(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000839695936 616359837 /nfs/dbraw/zinc/35/98/37/616359837.db2.gz NDYIVPUSMMTXQI-RKDXNWHRSA-N 0 1 270.285 0.501 20 5 CCBDMN COC(=O)CC(C)(C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000878271617 616500787 /nfs/dbraw/zinc/50/07/87/616500787.db2.gz QVXUQDIXNWDGRT-UHFFFAOYSA-N 0 1 270.289 0.760 20 5 CCBDMN COC(=O)CCCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842359222 616524931 /nfs/dbraw/zinc/52/49/31/616524931.db2.gz TXQYPDDUVGUDDI-RKDXNWHRSA-N 0 1 259.258 0.928 20 5 CCBDMN CNC(=O)C1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000837508461 616543703 /nfs/dbraw/zinc/54/37/03/616543703.db2.gz LMJQUNUXRIZNMQ-UHFFFAOYSA-N 0 1 294.263 0.870 20 5 CCBDMN COCCO[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839758900 616582970 /nfs/dbraw/zinc/58/29/70/616582970.db2.gz QRQPIENJYXHRPA-GMTAPVOTSA-N 0 1 272.301 0.306 20 5 CCBDMN COC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000839699115 616629926 /nfs/dbraw/zinc/62/99/26/616629926.db2.gz KAQKNKKVUWALGS-PRJMDXOYSA-N 0 1 258.274 0.356 20 5 CCBDMN COCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839779210 616763935 /nfs/dbraw/zinc/76/39/35/616763935.db2.gz VWMXPAAUJPVREB-NXEZZACHSA-N 0 1 256.302 0.975 20 5 CCBDMN CON(C)C(=O)[C@@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863586563 617054323 /nfs/dbraw/zinc/05/43/23/617054323.db2.gz HXAJSNYGNUDZRU-SKDRFNHKSA-N 0 1 297.311 0.626 20 5 CCBDMN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000311967194 625300022 /nfs/dbraw/zinc/30/00/22/625300022.db2.gz OJJBFVZNWYONFD-ZETCQYMHSA-N 0 1 291.304 0.750 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000935214259 623083347 /nfs/dbraw/zinc/08/33/47/623083347.db2.gz QCXXIULVXAYJBX-ZJUUUORDSA-N 0 1 295.343 0.651 20 5 CCBDMN C[C@@H](CN1CCN(C)CC1)Nc1c([N+](=O)[O-])cnn1C ZINC000892401285 623155409 /nfs/dbraw/zinc/15/54/09/623155409.db2.gz CWPXTWNVJJBKSN-JTQLQIEISA-N 0 1 282.348 0.376 20 5 CCBDMN O=C(N[C@@H]1C[C@@H](NC(=O)C2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000972878111 623273937 /nfs/dbraw/zinc/27/39/37/623273937.db2.gz AGUGGEXUWRUBAG-GWOFURMSSA-N 0 1 281.312 0.215 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(NC[C@H]2COCCN2)n1 ZINC000235914088 623431139 /nfs/dbraw/zinc/43/11/39/623431139.db2.gz RELNFLZJKKWBBY-VIFPVBQESA-N 0 1 252.274 0.699 20 5 CCBDMN Cc1cc(C)n(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000840673089 631710416 /nfs/dbraw/zinc/71/04/16/631710416.db2.gz QPCNQCYTRQPPPI-NXEZZACHSA-N 0 1 253.258 0.708 20 5 CCBDMN O=C(OCc1nncn1-c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673698 631717044 /nfs/dbraw/zinc/71/70/44/631717044.db2.gz YVIZLDFSNLTPAQ-GHMZBOCLSA-N 0 1 288.263 0.976 20 5 CCBDMN C[C@@H]1[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928433405 631833822 /nfs/dbraw/zinc/83/38/22/631833822.db2.gz TVBWDPOSPFTHQL-JIMOISOXSA-N 0 1 293.323 0.837 20 5 CCBDMN Cc1nn(C)c(N[C@@H](C)[C@@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC000895246572 632038046 /nfs/dbraw/zinc/03/80/46/632038046.db2.gz ASCQITWHWXFVSL-ONGXEEELSA-N 0 1 296.375 0.683 20 5 CCBDMN O=[N+]([O-])CCNC[C@H](O)C(F)(F)C(F)(F)F ZINC000905448646 634862951 /nfs/dbraw/zinc/86/29/51/634862951.db2.gz YFAJZPGALPVSDE-BYPYZUCNSA-N 0 1 252.139 0.411 20 5 CCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccsc1 ZINC000990175867 633475391 /nfs/dbraw/zinc/47/53/91/633475391.db2.gz KUVXMYGUIRCCNO-NXEZZACHSA-N 0 1 295.320 0.354 20 5 CCBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CN(C)CCN1C ZINC000900803538 634090497 /nfs/dbraw/zinc/09/04/97/634090497.db2.gz JXMSLMLUFPQZBQ-VHSXEESVSA-N 0 1 296.327 0.552 20 5 CCBDMN CC1(C)CC(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000991136972 635339217 /nfs/dbraw/zinc/33/92/17/635339217.db2.gz ZZGCQDORTGSNKK-GHMZBOCLSA-N 0 1 295.339 0.415 20 5 CCBDMN Cc1c(CN[C@@H]2COC[C@H]2O)cccc1[N+](=O)[O-] ZINC000231885639 637234129 /nfs/dbraw/zinc/23/41/29/637234129.db2.gz GKHOBTACRKHLJV-ZYHUDNBSSA-N 0 1 252.270 0.753 20 5 CCBDMN C[C@]1(OC(=O)c2ccc([N+](=O)[O-])[nH]2)CNC(=O)C1 ZINC000838999132 640287016 /nfs/dbraw/zinc/28/70/16/640287016.db2.gz YXSPTWDMTOGLKP-SNVBAGLBSA-N 0 1 253.214 0.358 20 5 CCBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)N(C)C ZINC000839007651 640289726 /nfs/dbraw/zinc/28/97/26/640289726.db2.gz GTYGAMHQZXZLKO-LURJTMIESA-N 0 1 255.230 0.556 20 5 CCBDMN O=C(NCCNc1ccccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000839499091 640316463 /nfs/dbraw/zinc/31/64/63/640316463.db2.gz XKVNTDBGQGCYNH-RKDXNWHRSA-N 0 1 250.258 0.275 20 5 CCBDMN Cc1cccc(OC[C@H](O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839574338 640344384 /nfs/dbraw/zinc/34/43/84/640344384.db2.gz LMQWVJQJOVAYDB-RAIGVLPGSA-N 0 1 294.307 0.516 20 5 CCBDMN C[C@](O)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccsc1 ZINC000839690977 640349389 /nfs/dbraw/zinc/34/93/89/640349389.db2.gz FCYXGNQCXCPRCX-KKZNHRDASA-N 0 1 270.310 0.737 20 5 CCBDMN O=C(NC[C@@H](CO)Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839701183 640351217 /nfs/dbraw/zinc/35/12/17/640351217.db2.gz WZTMVEPXAVQAJE-YNEHKIRRSA-N 0 1 278.308 0.619 20 5 CCBDMN C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC[C@@H]1O ZINC000839698156 640352203 /nfs/dbraw/zinc/35/22/03/640352203.db2.gz CWNQFPKJYKFZDQ-MWGHHZFTSA-N 0 1 256.302 0.709 20 5 CCBDMN Cc1cccc(C[C@H](CO)NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839734648 640355233 /nfs/dbraw/zinc/35/52/33/640355233.db2.gz WGQRSCIYIYGHTR-JHJVBQTASA-N 0 1 278.308 0.680 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000839707331 640356419 /nfs/dbraw/zinc/35/64/19/640356419.db2.gz CVUCDRJRIJVFMZ-ULAWRXDQSA-N 0 1 282.218 0.566 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CCCO)CC1 ZINC000839722442 640358160 /nfs/dbraw/zinc/35/81/60/640358160.db2.gz GSGUWJLSDBMHRX-GHMZBOCLSA-N 0 1 256.302 0.663 20 5 CCBDMN CS(=O)(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000839763089 640359061 /nfs/dbraw/zinc/35/90/61/640359061.db2.gz YIKHFXBFNDWQFN-RKDXNWHRSA-N 0 1 290.341 0.125 20 5 CCBDMN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839763009 640359184 /nfs/dbraw/zinc/35/91/84/640359184.db2.gz IWJYDQRJFCMONY-OSMVPFSASA-N 0 1 282.218 0.830 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1[C@@H]1CCCO1 ZINC000839762353 640360090 /nfs/dbraw/zinc/36/00/90/640360090.db2.gz VKIFSMDXKKTLNA-YTWAJWBKSA-N 0 1 254.286 0.822 20 5 CCBDMN C[C@H]1OCC[C@@]12CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C[C@@H](C)O2 ZINC000839750127 640360393 /nfs/dbraw/zinc/36/03/93/640360393.db2.gz ZDKNTTGZNKMMSF-VDWIVTDKSA-N 0 1 284.312 0.447 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000839778841 640364750 /nfs/dbraw/zinc/36/47/50/640364750.db2.gz RVNBGLMURRLNTO-FTLITQJKSA-N 0 1 251.242 0.630 20 5 CCBDMN O=C(N[C@H]1COc2ccccc2[C@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000839776259 640364845 /nfs/dbraw/zinc/36/48/45/640364845.db2.gz KDWXEVVLIMSTIW-DTHBNOIPSA-N 0 1 278.264 0.262 20 5 CCBDMN C[C@@H](O)C[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840441190 641577460 /nfs/dbraw/zinc/57/74/60/641577460.db2.gz OVHGXSHNJYWTKR-GWOFURMSSA-N 0 1 256.302 0.804 20 5 CCBDMN Cn1c2ccc(OC(=O)[C@@H]3CC3[N+](=O)[O-])cc2n(C)c1=O ZINC000840462765 641581919 /nfs/dbraw/zinc/58/19/19/641581919.db2.gz RCAZJBADAZJIJI-PSASIEDQSA-N 0 1 291.263 0.448 20 5 CCBDMN C[S@](=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000828311194 642085354 /nfs/dbraw/zinc/08/53/54/642085354.db2.gz MTDBJLWRPXOIBC-SBKAZYGRSA-N 0 1 298.368 0.855 20 5 CCBDMN O=C(N[C@H]1CCCn2nccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000831183979 642323912 /nfs/dbraw/zinc/32/39/12/642323912.db2.gz ZHQPCROOGOBGPC-KHQFGBGNSA-N 0 1 250.258 0.499 20 5 CCBDMN Cn1ncc(CCCOC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000836145759 642687935 /nfs/dbraw/zinc/68/79/35/642687935.db2.gz RFDMXYJBMJGWQB-UHFFFAOYSA-N 0 1 279.256 0.841 20 5 CCBDMN O=[N+]([O-])c1ccc(N2CC(N3CC[C@@H](O)C3)C2)cc1 ZINC000845722138 643340182 /nfs/dbraw/zinc/34/01/82/643340182.db2.gz ABWHVYYYTNHBDT-CYBMUJFWSA-N 0 1 263.297 0.850 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)C1CCSCC1 ZINC000848022669 643574483 /nfs/dbraw/zinc/57/44/83/643574483.db2.gz GOBXWTIIVDJTJI-NXEZZACHSA-N 0 1 274.342 0.368 20 5 CCBDMN O=C(OCCOc1cncc(F)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000851118749 643833867 /nfs/dbraw/zinc/83/38/67/643833867.db2.gz GJOOZYBUMLSVGG-RNFRBKRXSA-N 0 1 271.204 0.203 20 5 CCBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(CO)(CO)C2)c1 ZINC000852629617 643983361 /nfs/dbraw/zinc/98/33/61/643983361.db2.gz KAIJWYYUEZYZGM-ZDUSSCGKSA-N 0 1 296.323 0.305 20 5 CCBDMN C[C@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCNC1=O ZINC000853169471 644083361 /nfs/dbraw/zinc/08/33/61/644083361.db2.gz CQOPIFBOUVGHGG-LLVKDONJSA-N 0 1 267.241 0.606 20 5 CCBDMN Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000855871262 644370527 /nfs/dbraw/zinc/37/05/27/644370527.db2.gz WCQBMPRJYJDKDY-UMSGYPCISA-N 0 1 292.339 0.913 20 5 CCBDMN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCN1CC[C@@H](O)C1 ZINC000858812482 644651109 /nfs/dbraw/zinc/65/11/09/644651109.db2.gz PRNOTZZPALTQKU-SECBINFHSA-N 0 1 296.283 0.982 20 5 CCBDMN C[C@H]([NH3+])C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122200937 645789673 /nfs/dbraw/zinc/78/96/73/645789673.db2.gz GSDHOPOSPGZDTI-LURJTMIESA-N 0 1 277.277 0.359 20 5 CCBDMN Cn1cc(C[N@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])n1 ZINC000877555641 646823448 /nfs/dbraw/zinc/82/34/48/646823448.db2.gz YHALBJZDCMTISA-SNVBAGLBSA-N 0 1 268.317 0.923 20 5 CCBDMN Cn1cc(CN2CCC[C@@H](CO)CC2)c([N+](=O)[O-])n1 ZINC000877555641 646823450 /nfs/dbraw/zinc/82/34/50/646823450.db2.gz YHALBJZDCMTISA-SNVBAGLBSA-N 0 1 268.317 0.923 20 5 CCBDMN CC1(C)C[C@@H](O)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000879622428 647087767 /nfs/dbraw/zinc/08/77/67/647087767.db2.gz JMAWOVTVWPDRSN-GFCCVEGCSA-N 0 1 295.339 0.849 20 5 CCBDMN C[C@H](O)CN1CCN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886144748 647908514 /nfs/dbraw/zinc/90/85/14/647908514.db2.gz GONORTKVVUNNTR-RYUDHWBXSA-N 0 1 294.355 0.877 20 5 CCBDMN Cn1cc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000886571941 647988268 /nfs/dbraw/zinc/98/82/68/647988268.db2.gz PGKZCYQXNUCUCZ-GDPRMGEGSA-N 0 1 266.301 0.531 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(OC2COCOC2)n1 ZINC001231259210 805762730 /nfs/dbraw/zinc/76/27/30/805762730.db2.gz HITBCMWHVAQAQO-UHFFFAOYSA-N 0 1 256.214 0.756 20 5 CCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1csnn1 ZINC001267240931 793227982 /nfs/dbraw/zinc/22/79/82/793227982.db2.gz DORYKKLZSURGCL-NXEZZACHSA-N 0 1 299.356 0.141 20 5 CCBDMN NCc1nc2cnccc2n1-c1cc(N)c([N+](=O)[O-])cn1 ZINC001162216037 802290733 /nfs/dbraw/zinc/29/07/33/802290733.db2.gz VMMBGGFGYZWBCM-UHFFFAOYSA-N 0 1 285.267 0.765 20 5 CCBDMN N[C@H]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1(F)F ZINC001166960404 802995436 /nfs/dbraw/zinc/99/54/36/802995436.db2.gz PFLXASHECTWZFK-QMMMGPOBSA-N 0 1 274.227 0.401 20 5 CCBDMN O=c1ncc(F)c(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)[nH]1 ZINC001225885218 805172646 /nfs/dbraw/zinc/17/26/46/805172646.db2.gz MBIHSSKIEVSWKC-YFKPBYRVSA-N 0 1 297.202 0.266 20 5 CCBDMN O=c1nc(O[C@H](C[N+](=O)[O-])C2CC2)c2c([nH]1)COC2 ZINC001227686439 805379954 /nfs/dbraw/zinc/37/99/54/805379954.db2.gz PPETVTZRDUHPTM-SECBINFHSA-N 0 1 267.241 0.647 20 5 CCBDMN Cc1nc(O[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229375451 805526621 /nfs/dbraw/zinc/52/66/21/805526621.db2.gz DLXIMGOJNCEGAK-ZETCQYMHSA-N 0 1 254.246 0.482 20 5 CCBDMN O=[N+]([O-])c1ccc(Cc2noc([C@H]3CNCCO3)n2)nc1 ZINC001261442505 808979170 /nfs/dbraw/zinc/97/91/70/808979170.db2.gz SOYKIFSIYZZBNV-SNVBAGLBSA-N 0 1 291.267 0.625 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCNC[C@@H]1C(C)C ZINC001263165235 809467299 /nfs/dbraw/zinc/46/72/99/809467299.db2.gz VZMHAWWQRLGFDG-LLVKDONJSA-N 0 1 295.343 0.556 20 5 CCBDMN CC(C)C1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001263998964 809620647 /nfs/dbraw/zinc/62/06/47/809620647.db2.gz ROVKIZRQDUIVHO-NXEZZACHSA-N 0 1 256.302 0.661 20 5 CCBDMN CC(C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ncccn1 ZINC001129105171 819411933 /nfs/dbraw/zinc/41/19/33/819411933.db2.gz MLLREJBSEVWCHM-HTQZYQBOSA-N 0 1 250.258 0.493 20 5 CCBDMN COc1cc([N+](=O)[O-])c(-n2nnnc2CN)cc1F ZINC001168920350 836052850 /nfs/dbraw/zinc/05/28/50/836052850.db2.gz NXYDUROOMFFDJC-UHFFFAOYSA-N 0 1 268.208 0.177 20 5 CCBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2CC3(C2)CS(=O)C3)C1 ZINC001169011528 836099771 /nfs/dbraw/zinc/09/97/71/836099771.db2.gz KPBBWZMRMJNXPX-UWVGGRQHSA-N 0 1 258.343 0.496 20 5 CCBDMN CS(=O)(=O)C1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169033633 836108297 /nfs/dbraw/zinc/10/82/97/836108297.db2.gz CQWBNYZMSFEJTJ-MNOVXSKESA-N 0 1 290.385 0.941 20 5 CCBDMN CS(=O)(=O)C1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169033635 836108925 /nfs/dbraw/zinc/10/89/25/836108925.db2.gz CQWBNYZMSFEJTJ-WDEREUQCSA-N 0 1 290.385 0.941 20 5 CCBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC(N3CCOCC3)C2)C1 ZINC001169038390 836112543 /nfs/dbraw/zinc/11/25/43/836112543.db2.gz YKPDJCIVQFYOHX-VXGBXAGGSA-N 0 1 269.345 0.448 20 5 CCBDMN C[C@H]1CN(C)C(=O)CN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049649 836116633 /nfs/dbraw/zinc/11/66/33/836116633.db2.gz XGVUXUAWUHKMLX-HBNTYKKESA-N 0 1 255.318 0.594 20 5 CCBDMN COc1cc(NC[C@H]2COCCN2)cnc1[N+](=O)[O-] ZINC001170043858 836779537 /nfs/dbraw/zinc/77/95/37/836779537.db2.gz IBXOZUKIEDEXCB-VIFPVBQESA-N 0 1 268.273 0.399 20 5 CCBDMN O=[N+]([O-])c1cc(NC[C@H]2COCCN2)cnc1F ZINC001170045936 836786642 /nfs/dbraw/zinc/78/66/42/836786642.db2.gz YAQJFQZEELXMOO-QMMMGPOBSA-N 0 1 256.237 0.529 20 5 CCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CN(C)CCN1C ZINC001136874807 839794544 /nfs/dbraw/zinc/79/45/44/839794544.db2.gz TZYZIHSIRPHETJ-CABZTGNLSA-N 0 1 295.343 0.287 20 5 CCBDMN O=C(NCCNc1ccc([N+](=O)[O-])cc1F)c1cnn[nH]1 ZINC001094243039 841569306 /nfs/dbraw/zinc/56/93/06/841569306.db2.gz LOCMMFCCMYLRCU-UHFFFAOYSA-N 0 1 294.246 0.694 20 5 CCBDMN O=[N+]([O-])c1ncccc1CN1C[C@H](CO)[C@@H](CCO)C1 ZINC001176966167 842469727 /nfs/dbraw/zinc/46/97/27/842469727.db2.gz VNXOUTSVIQKIJE-CMPLNLGQSA-N 0 1 281.312 0.413 20 5 CCBDMN Cn1cc(CN2CC[C@H](O)C2(C)C)c([N+](=O)[O-])n1 ZINC000878634744 848138184 /nfs/dbraw/zinc/13/81/84/848138184.db2.gz MOIHJIVVWUTKOQ-VIFPVBQESA-N 0 1 254.290 0.674 20 5 CCBDMN C[C@H](O)[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000717286189 848217203 /nfs/dbraw/zinc/21/72/03/848217203.db2.gz BPJSYENQEJFUJS-HOTUBEGUSA-N 0 1 254.286 0.987 20 5 CCBDMN Cc1ncc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001042711090 850743309 /nfs/dbraw/zinc/74/33/09/850743309.db2.gz PGXVKBYHSKFULJ-VXGBXAGGSA-N 0 1 294.311 0.291 20 5 CCBDMN NC(=O)c1cc[nH]c(=NOC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC001117647495 856034530 /nfs/dbraw/zinc/03/45/30/856034530.db2.gz FQILVSMTTJWFFQ-SSDOTTSWSA-N 0 1 282.256 0.469 20 5 CCBDMN O=C([O-])C[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001118324271 856260884 /nfs/dbraw/zinc/26/08/84/856260884.db2.gz SEMKNCSCLOKQKZ-VIFPVBQESA-N 0 1 268.273 0.730 20 5 CCBDMN Cc1ocnc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001323350927 912288616 /nfs/dbraw/zinc/28/86/16/912288616.db2.gz WDPHQXQSGUSIOF-UHFFFAOYSA-N 0 1 251.202 0.544 20 5 CCBDMN Cc1nc([C@@H](C)NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n[nH]1 ZINC001326474972 913978414 /nfs/dbraw/zinc/97/84/14/913978414.db2.gz JZXREYIXKKULHK-ZCFIWIBFSA-N 0 1 293.287 0.554 20 5 CCBDMN CC1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC001327036195 914326884 /nfs/dbraw/zinc/32/68/84/914326884.db2.gz SFRYGGSZVQMFLZ-UHFFFAOYSA-N 0 1 257.271 0.821 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1nnc[nH]1 ZINC001327442314 902156970 /nfs/dbraw/zinc/15/69/70/902156970.db2.gz SQNWDXMANPYPHG-UHFFFAOYSA-N 0 1 280.244 0.351 20 5 CCBDMN CC(C)=C(F)C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284522671 905357008 /nfs/dbraw/zinc/35/70/08/905357008.db2.gz WRZUWTQBTGHAOP-RKDXNWHRSA-N 0 1 287.291 0.490 20 5 CCBDMN CC1(C)CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CCN1 ZINC001294495060 906595399 /nfs/dbraw/zinc/59/53/99/906595399.db2.gz XEVQQRZUKMZLQE-UHFFFAOYSA-N 0 1 279.300 0.396 20 5 CCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)/C=C\C1CC1 ZINC001296301762 906898229 /nfs/dbraw/zinc/89/82/29/906898229.db2.gz YLDMFDGICRMQQB-GKKDLHFNSA-N 0 1 295.339 0.583 20 5 CCBDMN O=C(CCC1CC1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001299132286 907395961 /nfs/dbraw/zinc/39/59/61/907395961.db2.gz WKIAAMJIUFDEQQ-GHMZBOCLSA-N 0 1 295.339 0.607 20 5 CCBDMN NS(=O)(=O)C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001308128087 908384787 /nfs/dbraw/zinc/38/47/87/908384787.db2.gz LEJNOVRZPDAETQ-JTQLQIEISA-N 0 1 299.352 0.705 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ncon1 ZINC001320141761 910477468 /nfs/dbraw/zinc/47/74/68/910477468.db2.gz GZNLAWUKKVSGOV-BYPYZUCNSA-N 0 1 252.190 0.192 20 5 CCBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@](C)(O)C(=O)[O-] ZINC001328753700 915410323 /nfs/dbraw/zinc/41/03/23/915410323.db2.gz DGFNUFHXJBIPSY-CYBMUJFWSA-N 0 1 282.296 0.905 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2nc[nH]c2C1 ZINC001329076452 915647727 /nfs/dbraw/zinc/64/77/27/915647727.db2.gz KAIUCCLACKPOIX-UHFFFAOYSA-N 0 1 276.256 0.250 20 5 CCBDMN CC[N@H+]1CCN(c2nnc(C[N+](=O)[O-])n2C)C[C@H]1C ZINC001339663292 921792737 /nfs/dbraw/zinc/79/27/37/921792737.db2.gz ADGPBIDTYLJJKI-SECBINFHSA-N 0 1 268.321 0.122 20 5 CCBDMN CCN1CCN(c2nnc(C[N+](=O)[O-])n2C)C[C@H]1C ZINC001339663292 921792747 /nfs/dbraw/zinc/79/27/47/921792747.db2.gz ADGPBIDTYLJJKI-SECBINFHSA-N 0 1 268.321 0.122 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C(=O)[O-] ZINC001329570646 916019426 /nfs/dbraw/zinc/01/94/26/916019426.db2.gz PWNMAKBOECRYFJ-NXEZZACHSA-N 0 1 282.300 0.834 20 5 CCBDMN Cc1noc(CN(C)Cc2nnc[nH]2)c1[N+](=O)[O-] ZINC001329875950 916249136 /nfs/dbraw/zinc/24/91/36/916249136.db2.gz HLHJTIZUZVXVLJ-UHFFFAOYSA-N 0 1 252.234 0.641 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1N[C@H](C)[C@H]1CN(C)CCN1C ZINC001339814665 921838558 /nfs/dbraw/zinc/83/85/58/921838558.db2.gz FRQVEABBOXOTFQ-DGCLKSJQSA-N 0 1 293.371 0.766 20 5 CCBDMN CCn1c(C[N+](=O)[O-])nnc1N1CCN(C(C)C)CC1 ZINC001340992422 922307977 /nfs/dbraw/zinc/30/79/77/922307977.db2.gz IJYRBGMMUXSWBU-UHFFFAOYSA-N 0 1 282.348 0.605 20 5 CCBDMN COC[C@@H]1CNCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC001343052916 923181460 /nfs/dbraw/zinc/18/14/60/923181460.db2.gz GREIMYUSTUNUKT-NSHDSACASA-N 0 1 293.323 0.964 20 5 CCBDMN CCCCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001344193959 923565210 /nfs/dbraw/zinc/56/52/10/923565210.db2.gz KWUYEVHAVWGJGB-WRWGMCAJSA-N 0 1 297.355 0.853 20 5 CCBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1(CO)COC1 ZINC001344545548 923632157 /nfs/dbraw/zinc/63/21/57/923632157.db2.gz PHBXFOAWINGHMT-UHFFFAOYSA-N 0 1 283.236 0.353 20 5 CCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1=CCCC1 ZINC001356051005 926339295 /nfs/dbraw/zinc/33/92/95/926339295.db2.gz NSCVJAYREQBKAV-VXGBXAGGSA-N 0 1 295.339 0.727 20 5 CCBDMN CC(C)CC(=O)NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001356554119 926399087 /nfs/dbraw/zinc/39/90/87/926399087.db2.gz SSSXZIMGRSFWFF-VXGBXAGGSA-N 0 1 297.355 0.805 20 5 CCBDMN CC1(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001357813999 926602052 /nfs/dbraw/zinc/60/20/52/926602052.db2.gz IUMJSBJCIOSLDY-LVUHIJSRSA-N 0 1 295.339 0.630 20 5 CCBDMN Cc1c([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cnn1C ZINC001360401933 926944167 /nfs/dbraw/zinc/94/41/67/926944167.db2.gz HFVATZQZVXOENL-SKWCMTHISA-N 0 1 252.274 0.571 20 5 CCBDMN O=C(NCC[C@H](O)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001448546389 930915756 /nfs/dbraw/zinc/91/57/56/930915756.db2.gz OGYPNIMMYJPSLM-PBXRRBTRSA-N 0 1 256.180 0.081 20 5 CCBDMN NC(=O)C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000599661130 361775806 /nfs/dbraw/zinc/77/58/06/361775806.db2.gz WQVYJGKUOZFSBL-LLVKDONJSA-N 0 1 295.295 0.377 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000600222627 361895896 /nfs/dbraw/zinc/89/58/96/361895896.db2.gz YCKJFCDTLSMOQG-KNVOCYPGSA-N 0 1 250.258 0.972 20 5 CCBDMN O=C(NCCN1CC[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000600525815 362003753 /nfs/dbraw/zinc/00/37/53/362003753.db2.gz DTCJXNOMGOYFJL-SNVBAGLBSA-N 0 1 279.296 0.391 20 5 CCBDMN C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C[C@H]21 ZINC000600826603 362073902 /nfs/dbraw/zinc/07/39/02/362073902.db2.gz PYLHPWKARWQBFL-URLYPYJESA-N 0 1 292.295 0.327 20 5 CCBDMN COCCOCCN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000290540475 197744203 /nfs/dbraw/zinc/74/42/03/197744203.db2.gz DFPZWKIEHAUOIY-UHFFFAOYSA-N 0 1 286.288 0.361 20 5 CCBDMN Cc1c(CNC(=O)[C@@]2(C)CNCCO2)cccc1[N+](=O)[O-] ZINC000602499875 362645572 /nfs/dbraw/zinc/64/55/72/362645572.db2.gz UTBUOXOWTUWMHU-CQSZACIVSA-N 0 1 293.323 0.898 20 5 CCBDMN CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000119707317 349948912 /nfs/dbraw/zinc/94/89/12/349948912.db2.gz UUSDSDVARCVFRM-QMMMGPOBSA-N 0 1 267.289 0.484 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000119771741 349952899 /nfs/dbraw/zinc/95/28/99/349952899.db2.gz UTJAOSRGXCMPQI-ZETCQYMHSA-N 0 1 268.273 0.477 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@]1(CO)CCOC1 ZINC000602804849 362808868 /nfs/dbraw/zinc/80/88/68/362808868.db2.gz HEHFIUHEQUAAEI-LBPRGKRZSA-N 0 1 284.316 0.183 20 5 CCBDMN C[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@H]1CO ZINC000602818674 362817340 /nfs/dbraw/zinc/81/73/40/362817340.db2.gz WLCHWJCAHICADH-WPRPVWTQSA-N 0 1 254.290 0.531 20 5 CCBDMN COC[C@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262351285 137039826 /nfs/dbraw/zinc/03/98/26/137039826.db2.gz UMSHEHJKEDTZQL-QMMMGPOBSA-N 0 1 279.256 0.383 20 5 CCBDMN Cc1nc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)nn1C ZINC000344587820 137202764 /nfs/dbraw/zinc/20/27/64/137202764.db2.gz RTLUCBXAJGCYAF-UHFFFAOYSA-N 0 1 277.240 0.990 20 5 CCBDMN C[C@]1(CO)C[C@H](O)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000602903785 362876555 /nfs/dbraw/zinc/87/65/55/362876555.db2.gz BPRZNITVBRPYJG-SMDDNHRTSA-N 0 1 296.323 0.791 20 5 CCBDMN C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)N1CCN(C)CC1 ZINC000076270013 349076804 /nfs/dbraw/zinc/07/68/04/349076804.db2.gz KVNWDTOARAESBI-VIFPVBQESA-N 0 1 295.347 0.015 20 5 CCBDMN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000080305426 349207690 /nfs/dbraw/zinc/20/76/90/349207690.db2.gz RSMMRCSULYMCHX-WCBMZHEXSA-N 0 1 297.340 0.960 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)CC(N)=O ZINC000135732122 350407407 /nfs/dbraw/zinc/40/74/07/350407407.db2.gz RYKFVWLIFCHNLC-MRVPVSSYSA-N 0 1 267.285 0.957 20 5 CCBDMN Cc1ccc(S(=O)(=O)NCCN(C)C)c([N+](=O)[O-])c1 ZINC000136437249 350423570 /nfs/dbraw/zinc/42/35/70/350423570.db2.gz KPWQUTAYNIXXSN-UHFFFAOYSA-N 0 1 287.341 0.743 20 5 CCBDMN CN(C)C1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000540420392 290909057 /nfs/dbraw/zinc/90/90/57/290909057.db2.gz OQHISSBPHBZNOE-UHFFFAOYSA-N 0 1 293.279 0.710 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1CCCCC1 ZINC000162115081 350736663 /nfs/dbraw/zinc/73/66/63/350736663.db2.gz CSLDGTXHQQNGQQ-UHFFFAOYSA-N 0 1 281.316 0.544 20 5 CCBDMN COc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2nnc[nH]2)c1 ZINC000172618216 350999488 /nfs/dbraw/zinc/99/94/88/350999488.db2.gz CLWQGJNODYFVNB-UHFFFAOYSA-N 0 1 291.267 0.994 20 5 CCBDMN CCc1nc(Cn2cc([N+](=O)[O-])c(C)cc2=O)n[nH]1 ZINC000181769542 351337016 /nfs/dbraw/zinc/33/70/16/351337016.db2.gz NBGJBOCYSOBCFI-UHFFFAOYSA-N 0 1 263.257 0.794 20 5 CCBDMN NC(=O)CCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000541266990 290927111 /nfs/dbraw/zinc/92/71/11/290927111.db2.gz OAPDCYRYTDEFAY-UHFFFAOYSA-N 0 1 281.268 0.686 20 5 CCBDMN CC(C)(C[NH3+])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123482479 187094433 /nfs/dbraw/zinc/09/44/33/187094433.db2.gz QYLSBIYGYNQFSU-UHFFFAOYSA-N 0 1 291.304 0.750 20 5 CCBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000227885382 352061680 /nfs/dbraw/zinc/06/16/80/352061680.db2.gz XCVDNDXNXBDDGX-QMMMGPOBSA-N 0 1 291.311 0.539 20 5 CCBDMN Nc1c(C(=O)NCCc2nc[nH]n2)cc(F)cc1[N+](=O)[O-] ZINC000228865438 352085020 /nfs/dbraw/zinc/08/50/20/352085020.db2.gz YYLZPWLWMYZFGT-UHFFFAOYSA-N 0 1 294.246 0.407 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000265780326 352663430 /nfs/dbraw/zinc/66/34/30/352663430.db2.gz QPCOQPAGPYSYIZ-UHFFFAOYSA-N 0 1 290.283 0.783 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)c2cccc([N+](=O)[O-])c2N)n1 ZINC000267927167 352797999 /nfs/dbraw/zinc/79/79/99/352797999.db2.gz DJQOXUFXJQUCGK-UHFFFAOYSA-N 0 1 290.283 0.576 20 5 CCBDMN C[C@@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC[C@H]1O ZINC000270863701 352997549 /nfs/dbraw/zinc/99/75/49/352997549.db2.gz IOAMBQBWGFUNAM-SKDRFNHKSA-N 0 1 282.300 0.989 20 5 CCBDMN O=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272568595 353075460 /nfs/dbraw/zinc/07/54/60/353075460.db2.gz ROSUVWBDCDGRAE-WCBMZHEXSA-N 0 1 278.264 0.967 20 5 CCBDMN C[C@H](CCO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272685511 353085364 /nfs/dbraw/zinc/08/53/64/353085364.db2.gz OXOXLMRDNYSIFQ-SSDOTTSWSA-N 0 1 254.242 0.801 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@H](CO)C1 ZINC000272709623 353086822 /nfs/dbraw/zinc/08/68/22/353086822.db2.gz XFFNLAPLGLPVJU-NSHDSACASA-N 0 1 282.252 0.134 20 5 CCBDMN CCC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000286225390 353569956 /nfs/dbraw/zinc/56/99/56/353569956.db2.gz DHRUGVVQUICWOB-JTQLQIEISA-N 0 1 281.268 0.684 20 5 CCBDMN C[C@@H](C[NH+](C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000286867871 353615219 /nfs/dbraw/zinc/61/52/19/353615219.db2.gz CTEZFWKGMCOULE-ZETCQYMHSA-N 0 1 268.273 0.375 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC(O)(COC)C2)c1[N+](=O)[O-] ZINC000295502758 353899303 /nfs/dbraw/zinc/89/93/03/353899303.db2.gz GKRAHOXMPKEHFF-UHFFFAOYSA-N 0 1 298.299 0.104 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN(C2CC2)C2COC2)c1 ZINC000295560230 353903652 /nfs/dbraw/zinc/90/36/52/353903652.db2.gz XUVJYTKILCHXTN-GFCCVEGCSA-N 0 1 282.300 0.015 20 5 CCBDMN CN1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298852138 353973942 /nfs/dbraw/zinc/97/39/42/353973942.db2.gz MOGRNHFJRPEYMR-UHFFFAOYSA-N 0 1 252.274 0.701 20 5 CCBDMN COC(=O)[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299535104 354025840 /nfs/dbraw/zinc/02/58/40/354025840.db2.gz MXONFCNRFREEFT-ZCFIWIBFSA-N 0 1 284.272 0.507 20 5 CCBDMN CC(C)CN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000330392392 354341800 /nfs/dbraw/zinc/34/18/00/354341800.db2.gz JBOABKIMCUCPGN-UHFFFAOYSA-N 0 1 295.343 0.592 20 5 CCBDMN CC[C@@H](O)CN1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331070529 354437784 /nfs/dbraw/zinc/43/77/84/354437784.db2.gz SRKIKEFHROORPK-LLVKDONJSA-N 0 1 297.359 0.217 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CC[C@@H](C)O)c1[N+](=O)[O-] ZINC000331078096 354441187 /nfs/dbraw/zinc/44/11/87/354441187.db2.gz JVOKKQOHJVITJW-SSDOTTSWSA-N 0 1 270.289 0.723 20 5 CCBDMN O=C(NCC[C@H](O)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000337031794 355252667 /nfs/dbraw/zinc/25/26/67/355252667.db2.gz GJMIMHUGUIZPAU-YFKPBYRVSA-N 0 1 282.178 0.361 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@](F)(CO)C1 ZINC000338740712 355409400 /nfs/dbraw/zinc/40/94/00/355409400.db2.gz GHBSTQBWOPQFPO-LBPRGKRZSA-N 0 1 284.243 0.847 20 5 CCBDMN CN1CC[C@H]2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])[C@@H]2C1 ZINC000558754371 291072463 /nfs/dbraw/zinc/07/24/63/291072463.db2.gz KLGVGLBJPGBNPV-WCBMZHEXSA-N 0 1 279.300 0.484 20 5 CCBDMN O=C(NC[C@@H]1CCC[C@H](CO)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000360638873 138003964 /nfs/dbraw/zinc/00/39/64/138003964.db2.gz LTCLXQKJDJAVTJ-BDAKNGLRSA-N 0 1 282.300 0.846 20 5 CCBDMN O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361916741 138037979 /nfs/dbraw/zinc/03/79/79/138037979.db2.gz SQZUNGMFOHRURK-VIFPVBQESA-N 0 1 292.295 0.662 20 5 CCBDMN O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361916741 138037980 /nfs/dbraw/zinc/03/79/80/138037980.db2.gz SQZUNGMFOHRURK-VIFPVBQESA-N 0 1 292.295 0.662 20 5 CCBDMN Cn1cnnc1[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000362104295 138046639 /nfs/dbraw/zinc/04/66/39/138046639.db2.gz COCUATDGJIFBLG-HRDYMLBCSA-N 0 1 265.273 0.144 20 5 CCBDMN O=C(NCc1n[nH]c(C2CC2)n1)c1ccc([N+](=O)[O-])cn1 ZINC000560331783 291095306 /nfs/dbraw/zinc/09/53/06/291095306.db2.gz VXIWSCSCGBBQMN-UHFFFAOYSA-N 0 1 288.267 0.915 20 5 CCBDMN Cc1[nH]nc(C(=O)N2COCC2(C)C)c1[N+](=O)[O-] ZINC000619871787 366365776 /nfs/dbraw/zinc/36/57/76/366365776.db2.gz YWUMFDFAPYJRMB-UHFFFAOYSA-N 0 1 254.246 0.835 20 5 CCBDMN CC(C)(C)NC(=O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356356069 356752569 /nfs/dbraw/zinc/75/25/69/356752569.db2.gz HTLKXVZCYHPWQD-UHFFFAOYSA-N 0 1 295.295 0.945 20 5 CCBDMN O=C(NC[C@@H](CO)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000359819829 356902998 /nfs/dbraw/zinc/90/29/98/356902998.db2.gz IYJBSLABHZIUEX-ZETCQYMHSA-N 0 1 254.246 0.066 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCOCC3(CC3)C2)n1 ZINC000360090905 356945822 /nfs/dbraw/zinc/94/58/22/356945822.db2.gz ZQKFJWDYFQKKJH-UHFFFAOYSA-N 0 1 266.301 0.904 20 5 CCBDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000376155684 357438329 /nfs/dbraw/zinc/43/83/29/357438329.db2.gz DGSIXBQIOWQDSY-LZCWHGQZSA-N 0 1 266.297 0.533 20 5 CCBDMN CCN1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000408052255 357890309 /nfs/dbraw/zinc/89/03/09/357890309.db2.gz KREXFHSVRBVFBD-UHFFFAOYSA-N 0 1 281.316 0.496 20 5 CCBDMN CN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000408206620 357970472 /nfs/dbraw/zinc/97/04/72/357970472.db2.gz BYBRPTBQLCXSDK-UHFFFAOYSA-N 0 1 265.269 0.688 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408382274 358065043 /nfs/dbraw/zinc/06/50/43/358065043.db2.gz QJPPAUCOUOEMLP-CBAPKCEASA-N 0 1 282.300 0.723 20 5 CCBDMN CNC(=O)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000294696418 199139213 /nfs/dbraw/zinc/13/92/13/199139213.db2.gz QPLVTFHXQKKKGE-LURJTMIESA-N 0 1 267.241 0.165 20 5 CCBDMN CC[N@@H+](C)CCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567982103 358620333 /nfs/dbraw/zinc/62/03/33/358620333.db2.gz MTDUJIRKNSBMLS-UHFFFAOYSA-N 0 1 282.300 0.782 20 5 CCBDMN Nc1nc(SCCc2c[nH]nn2)ncc1[N+](=O)[O-] ZINC000568650115 358695226 /nfs/dbraw/zinc/69/52/26/358695226.db2.gz YOYVNVSTNYKHMQ-UHFFFAOYSA-N 0 1 267.274 0.250 20 5 CCBDMN Cc1cc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])n[nH]1 ZINC000589573703 359391326 /nfs/dbraw/zinc/39/13/26/359391326.db2.gz NYPSNXQPNCGTPP-UHFFFAOYSA-N 0 1 276.256 0.732 20 5 CCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H]1CCC[NH2+]C1 ZINC000563106773 291193806 /nfs/dbraw/zinc/19/38/06/291193806.db2.gz BMUKDKLACLUODA-DTWKUNHWSA-N 0 1 294.311 0.813 20 5 CCBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000611202118 363680012 /nfs/dbraw/zinc/68/00/12/363680012.db2.gz AQROCZHYZGXZRJ-ZETCQYMHSA-N 0 1 265.273 0.284 20 5 CCBDMN CC[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC000592861486 359963008 /nfs/dbraw/zinc/96/30/08/359963008.db2.gz PIFTUMZAPAZMHR-ZCFIWIBFSA-N 0 1 270.245 0.247 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000593032877 360019479 /nfs/dbraw/zinc/01/94/79/360019479.db2.gz FHHXZRSZDMQWEA-CABZTGNLSA-N 0 1 268.269 0.085 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC000593032877 360019483 /nfs/dbraw/zinc/01/94/83/360019483.db2.gz FHHXZRSZDMQWEA-CABZTGNLSA-N 0 1 268.269 0.085 20 5 CCBDMN CC(C)n1cnc(=NC(=O)c2cc([N+](=O)[O-])cn2C)[nH]1 ZINC000593229889 360053731 /nfs/dbraw/zinc/05/37/31/360053731.db2.gz LVOZMKOBPRCPNL-UHFFFAOYSA-N 0 1 278.272 0.780 20 5 CCBDMN CCN1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594286098 360268519 /nfs/dbraw/zinc/26/85/19/360268519.db2.gz MAKKRFTUYPUPSW-UHFFFAOYSA-N 0 1 293.327 0.570 20 5 CCBDMN CC(C)Oc1nc(NCc2c[nH]nn2)ccc1[N+](=O)[O-] ZINC000594552659 360329890 /nfs/dbraw/zinc/32/98/90/360329890.db2.gz DSQPQAVAPHGCOT-UHFFFAOYSA-N 0 1 278.272 0.929 20 5 CCBDMN COC(C)(C)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594757792 360376816 /nfs/dbraw/zinc/37/68/16/360376816.db2.gz KAEALLVKRLZEEP-UHFFFAOYSA-N 0 1 289.313 0.693 20 5 CCBDMN CC[C@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761700 360378372 /nfs/dbraw/zinc/37/83/72/360378372.db2.gz HNYYGGKBWUDFNT-SSDOTTSWSA-N 0 1 275.286 0.039 20 5 CCBDMN CC(C)OC[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595253256 360459197 /nfs/dbraw/zinc/45/91/97/360459197.db2.gz KETCATXSYIQOBL-LBPRGKRZSA-N 0 1 281.312 0.963 20 5 CCBDMN O=[N+]([O-])c1ccc(OCCN2CCC(CO)(CO)C2)cc1 ZINC000595800890 360657578 /nfs/dbraw/zinc/65/75/78/360657578.db2.gz SQJUVRPOCJLCTB-UHFFFAOYSA-N 0 1 296.323 0.650 20 5 CCBDMN C[C@H](CN1CCN(C)CC1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596122125 360802974 /nfs/dbraw/zinc/80/29/74/360802974.db2.gz JKWUAOBBUIBLHK-SNVBAGLBSA-N 0 1 295.343 0.743 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1(CO)CC1 ZINC000598037271 361321546 /nfs/dbraw/zinc/32/15/46/361321546.db2.gz UQZFKKNKJYIAEO-ZCFIWIBFSA-N 0 1 254.246 0.209 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000598163465 361346469 /nfs/dbraw/zinc/34/64/69/361346469.db2.gz PHVITXZPIFSGSH-UHFFFAOYSA-N 0 1 293.323 0.994 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)C(O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000598187420 361352578 /nfs/dbraw/zinc/35/25/78/361352578.db2.gz LSXAEBHMWXHSRK-RNFRBKRXSA-N 0 1 282.300 0.715 20 5 CCBDMN COC(=O)c1ccnc(N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000598606803 361457975 /nfs/dbraw/zinc/45/79/75/361457975.db2.gz JBXYSSNEBZROHK-UHFFFAOYSA-N 0 1 280.284 0.527 20 5 CCBDMN CCC[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599206960 361612409 /nfs/dbraw/zinc/61/24/09/361612409.db2.gz NQJATIQMVKMXAG-ZETCQYMHSA-N 0 1 276.318 0.795 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC=CC2)n1 ZINC000599257928 361622764 /nfs/dbraw/zinc/62/27/64/361622764.db2.gz RDUZFOGYXXCSEP-UHFFFAOYSA-N 0 1 272.286 0.325 20 5 CCBDMN C[N@H+](CC(=O)[O-])C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000565107146 291345351 /nfs/dbraw/zinc/34/53/51/291345351.db2.gz OFIGZTAQEDBJAB-SECBINFHSA-N 0 1 284.268 0.351 20 5 CCBDMN O=C(N[C@@H]1CCc2c[nH]nc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000343897097 284103910 /nfs/dbraw/zinc/10/39/10/284103910.db2.gz NNWUOYAVEIBACX-SSDOTTSWSA-N 0 1 276.256 0.328 20 5 CCBDMN CNC(=O)[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330793201 203243245 /nfs/dbraw/zinc/24/32/45/203243245.db2.gz CQFFWQQDOZCLET-GFCCVEGCSA-N 0 1 295.295 0.247 20 5 CCBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](CO)[C@H](O)C1 ZINC000459695688 249054296 /nfs/dbraw/zinc/05/42/96/249054296.db2.gz LQUHXYAKBIHGKL-IRUJWGPZSA-N 0 1 266.297 0.941 20 5 CCBDMN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[NH+]1CCCC1 ZINC000518037661 249238622 /nfs/dbraw/zinc/23/86/22/249238622.db2.gz GWHAGTVCYANQSU-VIFPVBQESA-N 0 1 294.311 0.910 20 5 CCBDMN COCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000518077854 249240155 /nfs/dbraw/zinc/24/01/55/249240155.db2.gz VMKPAGBZWGGTJI-JTQLQIEISA-N 0 1 296.327 0.384 20 5 CCBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(OC)OC ZINC000278563865 194045993 /nfs/dbraw/zinc/04/59/93/194045993.db2.gz HUXOIERSXLWCGI-ZCFIWIBFSA-N 0 1 272.261 0.445 20 5 CCBDMN COC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279339819 194390712 /nfs/dbraw/zinc/39/07/12/194390712.db2.gz DTLUXSQKKHKBAH-APPZFPTMSA-N 0 1 284.272 0.242 20 5 CCBDMN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237209828 284967141 /nfs/dbraw/zinc/96/71/41/284967141.db2.gz DYNHYABXVOGDTM-ZETCQYMHSA-N 0 1 293.370 0.790 20 5 CCBDMN CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@H](C)C1 ZINC000288463630 197084784 /nfs/dbraw/zinc/08/47/84/197084784.db2.gz OLGZDRSRHCVBTN-SNVBAGLBSA-N 0 1 295.343 0.652 20 5 CCBDMN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C ZINC000355311687 389058457 /nfs/dbraw/zinc/05/84/57/389058457.db2.gz MRXAGTHVRQUCQX-JTQLQIEISA-N 0 1 281.316 0.730 20 5 CCBDMN C[C@H](C(N)=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338364522 389110264 /nfs/dbraw/zinc/11/02/64/389110264.db2.gz ZXVAGNJUQKSZJV-SECBINFHSA-N 0 1 251.286 0.943 20 5 CCBDMN O=C(Nc1nn[nH]n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345608057 389310816 /nfs/dbraw/zinc/31/08/16/389310816.db2.gz HAOWDWNRGZKSNX-UHFFFAOYSA-N 0 1 285.223 0.908 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)N1 ZINC000422823590 389482630 /nfs/dbraw/zinc/48/26/30/389482630.db2.gz LVNLHNYHFYILMP-KNVOCYPGSA-N 0 1 253.262 0.140 20 5 CCBDMN COc1cc(C(=O)NCc2nnc[nH]2)cc([N+](=O)[O-])c1C ZINC000276812929 389541782 /nfs/dbraw/zinc/54/17/82/389541782.db2.gz LTFUCEGGQJMTPG-UHFFFAOYSA-N 0 1 291.267 0.960 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CCCO)c1[N+](=O)[O-] ZINC000281990278 389642835 /nfs/dbraw/zinc/64/28/35/389642835.db2.gz QSPBKRYCSNYTBA-UHFFFAOYSA-N 0 1 256.262 0.335 20 5 CCBDMN CN(CCn1ccc([N+](=O)[O-])n1)Cc1nnc[nH]1 ZINC000177135128 389573185 /nfs/dbraw/zinc/57/31/85/389573185.db2.gz MMRIBMMUMLMNFJ-UHFFFAOYSA-N 0 1 251.250 0.041 20 5 CCBDMN O=c1c([N+](=O)[O-])cccn1Cc1n[nH]c(C2CC2)n1 ZINC000179652654 389661844 /nfs/dbraw/zinc/66/18/44/389661844.db2.gz YRQGJSIRWSNAPR-UHFFFAOYSA-N 0 1 261.241 0.800 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415345415 389675867 /nfs/dbraw/zinc/67/58/67/389675867.db2.gz POVGXAGBJKHNSS-SECBINFHSA-N 0 1 292.295 0.354 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CCOCC2)CC1 ZINC000375905507 389723402 /nfs/dbraw/zinc/72/34/02/389723402.db2.gz SSFQRJKESKTHCE-GHMZBOCLSA-N 0 1 284.312 0.450 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000444353499 389902968 /nfs/dbraw/zinc/90/29/68/389902968.db2.gz QTYAHDCTITUADF-MRVPVSSYSA-N 0 1 282.300 0.867 20 5 CCBDMN O=C(NCC[NH+]1CCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436489074 389977729 /nfs/dbraw/zinc/97/77/29/389977729.db2.gz FQOOKVLYVPYDCO-UHFFFAOYSA-N 0 1 265.269 0.736 20 5 CCBDMN CN1CC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000440069638 390031197 /nfs/dbraw/zinc/03/11/97/390031197.db2.gz IAIPUAUTLRUVAW-LLVKDONJSA-N 0 1 299.352 0.718 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](OC)[C@H](OC)C2)c1[N+](=O)[O-] ZINC000489210773 390098566 /nfs/dbraw/zinc/09/85/66/390098566.db2.gz VPNDJPGYMMVIDS-RKDXNWHRSA-N 0 1 298.299 0.366 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000537123108 390173915 /nfs/dbraw/zinc/17/39/15/390173915.db2.gz CRIIXBRNVSEBPR-SSDOTTSWSA-N 0 1 291.271 0.456 20 5 CCBDMN Cc1cc(C)c([N+](=O)[O-])c(Nc2ccn(CCO)n2)n1 ZINC000541004888 390234219 /nfs/dbraw/zinc/23/42/19/390234219.db2.gz HUTIVMDWUWUVSV-UHFFFAOYSA-N 0 1 277.284 0.961 20 5 CCBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1COC[C@H]1O ZINC000583510348 390289321 /nfs/dbraw/zinc/28/93/21/390289321.db2.gz PATCRYNHEMPLFZ-DMDPSCGWSA-N 0 1 264.281 0.931 20 5 CCBDMN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ncn[nH]1 ZINC000543761252 390292457 /nfs/dbraw/zinc/29/24/57/390292457.db2.gz GRFKOCCQEVNSKN-UHFFFAOYSA-N 0 1 277.240 0.522 20 5 CCBDMN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1nc[nH]n1 ZINC000543761252 390292460 /nfs/dbraw/zinc/29/24/60/390292460.db2.gz GRFKOCCQEVNSKN-UHFFFAOYSA-N 0 1 277.240 0.522 20 5 CCBDMN CCOC(=O)N(C)CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496797607 390365314 /nfs/dbraw/zinc/36/53/14/390365314.db2.gz YIWLBCVGGYVHCE-HTQZYQBOSA-N 0 1 260.246 0.283 20 5 CCBDMN Cc1cc(N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000517572616 390489985 /nfs/dbraw/zinc/48/99/85/390489985.db2.gz PIUMQGCNSCQYDQ-JTQLQIEISA-N 0 1 294.311 0.751 20 5 CCBDMN C[C@@H]1CC[N@H+](CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000566719269 390640826 /nfs/dbraw/zinc/64/08/26/390640826.db2.gz KLFQRZWRULVFSH-SECBINFHSA-N 0 1 294.311 0.767 20 5 CCBDMN C[C@@H]1CC[N@@H+](CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000566719269 390640828 /nfs/dbraw/zinc/64/08/28/390640828.db2.gz KLFQRZWRULVFSH-SECBINFHSA-N 0 1 294.311 0.767 20 5 CCBDMN C[C@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000566795551 390648902 /nfs/dbraw/zinc/64/89/02/390648902.db2.gz OMOYRCFNPPNVOT-ZCFIWIBFSA-N 0 1 254.246 0.163 20 5 CCBDMN COC(=O)c1cc(C(=O)N2CCNCC2)cc([N+](=O)[O-])c1 ZINC000237160811 131009211 /nfs/dbraw/zinc/00/92/11/131009211.db2.gz DTVAOQUKBNOQGR-UHFFFAOYSA-N 0 1 293.279 0.427 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCN1 ZINC000262227977 131202933 /nfs/dbraw/zinc/20/29/33/131202933.db2.gz PXWFJHGLVBVNGO-QMMMGPOBSA-N 0 1 264.285 0.611 20 5 CCBDMN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCN(C)CC1 ZINC000263719912 131315976 /nfs/dbraw/zinc/31/59/76/131315976.db2.gz FNKAWKLYODOIAE-JTQLQIEISA-N 0 1 295.343 0.289 20 5 CCBDMN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCN(C)CC1 ZINC000263819464 131338486 /nfs/dbraw/zinc/33/84/86/131338486.db2.gz ZGFKRXWHSDMEPX-SNVBAGLBSA-N 0 1 296.327 0.554 20 5 CCBDMN CC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000268787332 132065446 /nfs/dbraw/zinc/06/54/46/132065446.db2.gz WAEZYLPPKRGIAR-SSDOTTSWSA-N 0 1 295.299 0.319 20 5 CCBDMN COCCOCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269214433 132133299 /nfs/dbraw/zinc/13/32/99/132133299.db2.gz XNHHYYMGTBYSRM-UHFFFAOYSA-N 0 1 284.268 0.693 20 5 CCBDMN O=C(NC[C@H](O)[C@H]1CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356584145 144016275 /nfs/dbraw/zinc/01/62/75/144016275.db2.gz WBPBETPDRSYOEQ-UFBFGSQYSA-N 0 1 296.279 0.428 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCN(C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356901961 144042429 /nfs/dbraw/zinc/04/24/29/144042429.db2.gz NICWWZDZNMNFGR-RKDXNWHRSA-N 0 1 281.316 0.791 20 5 CCBDMN C[C@@H](CN1CCN(C)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000358904452 144186707 /nfs/dbraw/zinc/18/67/07/144186707.db2.gz JBUGNGLDWKMVAH-NSHDSACASA-N 0 1 279.344 0.460 20 5 CCBDMN CN1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1(C)C ZINC000551955124 286140288 /nfs/dbraw/zinc/14/02/88/286140288.db2.gz RHCYPZQXEPAFGR-UHFFFAOYSA-N 0 1 294.311 0.862 20 5 CCBDMN Cc1cnc(NCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000039956587 174178980 /nfs/dbraw/zinc/17/89/80/174178980.db2.gz ROZZBZDXYPOSRU-UHFFFAOYSA-N 0 1 279.344 0.958 20 5 CCBDMN O=[N+]([O-])c1ccccc1CN1[C@@H](CO)CC[C@H]1CO ZINC000347325905 275039841 /nfs/dbraw/zinc/03/98/41/275039841.db2.gz ZQABKHJCODBSRU-TXEJJXNPSA-N 0 1 266.297 0.912 20 5 CCBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](O)[C@@H](CO)C1 ZINC000459701428 290267766 /nfs/dbraw/zinc/26/77/66/290267766.db2.gz ODQBZXHGOHNZGN-BREBYQMCSA-N 0 1 266.297 0.941 20 5 CCBDMN CC[C@@H]1CN(C)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000582782432 329189688 /nfs/dbraw/zinc/18/96/88/329189688.db2.gz UPHYZHXJCVVYJU-SNVBAGLBSA-N 0 1 267.333 0.854 20 5 CCBDMN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000182447433 521044760 /nfs/dbraw/zinc/04/47/60/521044760.db2.gz OGYWLAUYBARDLS-BQBZGAKWSA-N 0 1 284.272 0.635 20 5 CCBDMN CCC[C@@H](O)[C@@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000412525026 529052786 /nfs/dbraw/zinc/05/27/86/529052786.db2.gz LEJUOTLEZYRLKL-VXGBXAGGSA-N 0 1 298.295 0.552 20 5 CCBDMN CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)NC ZINC000457047422 535866197 /nfs/dbraw/zinc/86/61/97/535866197.db2.gz KYVGDLBNFOKRFY-JTQLQIEISA-N 0 1 281.268 0.555 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000362348901 536002706 /nfs/dbraw/zinc/00/27/06/536002706.db2.gz OORJDKHDXOUNHC-JGVFFNPUSA-N 0 1 282.300 0.581 20 5 CCBDMN O=C(Nc1nn[nH]n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778285155 581149178 /nfs/dbraw/zinc/14/91/78/581149178.db2.gz FOEGZFJDMMNJMS-UHFFFAOYSA-N 0 1 284.182 0.838 20 5 CCBDMN CN(C)c1noc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000793277774 581291938 /nfs/dbraw/zinc/29/19/38/581291938.db2.gz SXZDJUFTRZGDHD-UHFFFAOYSA-N 0 1 281.228 0.729 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782603770 581312306 /nfs/dbraw/zinc/31/23/06/581312306.db2.gz ISGUFOCBVFRCPU-IACUBPJLSA-N 0 1 278.308 0.942 20 5 CCBDMN C[C@H]1CN(C)C(=O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000783757225 581359105 /nfs/dbraw/zinc/35/91/05/581359105.db2.gz VDAISHLJKKHSDH-QMMMGPOBSA-N 0 1 293.279 0.603 20 5 CCBDMN O=C(OC[C@@H]1COCCO1)c1ccc([N+](=O)[O-])[nH]1 ZINC000729101685 581551007 /nfs/dbraw/zinc/55/10/07/581551007.db2.gz BZOSHGQHOUQTTJ-ZETCQYMHSA-N 0 1 256.214 0.495 20 5 CCBDMN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)no1 ZINC000731548859 581770899 /nfs/dbraw/zinc/77/08/99/581770899.db2.gz NYGLBJVDKSAIPL-UHFFFAOYSA-N 0 1 252.186 0.971 20 5 CCBDMN C[C@H](C[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CC1)C(=O)[O-] ZINC000736581579 581798231 /nfs/dbraw/zinc/79/82/31/581798231.db2.gz JNGMKDCRCHMZNO-MRVPVSSYSA-N 0 1 268.273 0.934 20 5 CCBDMN C[C@H](C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CC1)C(=O)[O-] ZINC000736581579 581798234 /nfs/dbraw/zinc/79/82/34/581798234.db2.gz JNGMKDCRCHMZNO-MRVPVSSYSA-N 0 1 268.273 0.934 20 5 CCBDMN O=C(NCc1c[nH]nn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000748415842 581974449 /nfs/dbraw/zinc/97/44/49/581974449.db2.gz DIEIDOVZWYODMC-UHFFFAOYSA-N 0 1 292.211 0.551 20 5 CCBDMN COC(=O)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000764557320 582055942 /nfs/dbraw/zinc/05/59/42/582055942.db2.gz JQGWADOCHJDFKG-SSDOTTSWSA-N 0 1 282.256 0.389 20 5 CCBDMN O=C([O-])N[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000832365271 603707661 /nfs/dbraw/zinc/70/76/61/603707661.db2.gz IKFHIFHKXPIAND-VIFPVBQESA-N 0 1 283.288 0.523 20 5 CCBDMN CS(=O)(=O)c1ccccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841237467 617190507 /nfs/dbraw/zinc/19/05/07/617190507.db2.gz MUAWPUAZJWSBSX-NXEZZACHSA-N 0 1 299.304 0.799 20 5 CCBDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000833834070 605900674 /nfs/dbraw/zinc/90/06/74/605900674.db2.gz MFAAZVXEVGIQTL-VHSXEESVSA-N 0 1 297.315 0.769 20 5 CCBDMN C[C@@H]1[C@H](C)N(C(=O)[O-])CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000833830737 606041839 /nfs/dbraw/zinc/04/18/39/606041839.db2.gz XGZHQJQHAYZKIB-ZJUUUORDSA-N 0 1 297.315 0.864 20 5 CCBDMN C[C@@H]1[C@H](C)N(C(=O)[O-])CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000833830737 606041843 /nfs/dbraw/zinc/04/18/43/606041843.db2.gz XGZHQJQHAYZKIB-ZJUUUORDSA-N 0 1 297.315 0.864 20 5 CCBDMN CC(C)C(=O)c1cnccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841187942 613965897 /nfs/dbraw/zinc/96/58/97/613965897.db2.gz HSEUKKKIIJAEFZ-LDYMZIIASA-N 0 1 277.280 0.946 20 5 CCBDMN CC(C)(CCC(=O)NCCCc1nc[nH]n1)[N+](=O)[O-] ZINC000846646129 614081124 /nfs/dbraw/zinc/08/11/24/614081124.db2.gz HEMVLKHSGNQZST-UHFFFAOYSA-N 0 1 269.305 0.689 20 5 CCBDMN CC(C)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000943629575 613927643 /nfs/dbraw/zinc/92/76/43/613927643.db2.gz HMXMCMBIESBCRL-DDHJBXDOSA-N 0 1 297.355 0.851 20 5 CCBDMN CC(C)CC(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954235407 613986843 /nfs/dbraw/zinc/98/68/43/613986843.db2.gz VNWNFUREPUKECN-GHMZBOCLSA-N 0 1 283.328 0.367 20 5 CCBDMN CC(C)OCCONC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000812805928 614021830 /nfs/dbraw/zinc/02/18/30/614021830.db2.gz GSFSTHZCMSLQEQ-UHFFFAOYSA-N 0 1 258.234 0.404 20 5 CCBDMN CC(C)(C[C@@H]1CCCN(CC[N+](=O)[O-])C1)C(N)=O ZINC000930604065 614127548 /nfs/dbraw/zinc/12/75/48/614127548.db2.gz PNYWSEJMOPIWKA-JTQLQIEISA-N 0 1 257.334 0.877 20 5 CCBDMN CC(C)[C@H](CO)ONC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000836894409 614214795 /nfs/dbraw/zinc/21/47/95/614214795.db2.gz QSFHJUWWAPYEEY-NSHDSACASA-N 0 1 284.268 0.979 20 5 CCBDMN CCC[C@]1(CO)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840437131 614454348 /nfs/dbraw/zinc/45/43/48/614454348.db2.gz HPJIKBXNCFDEGZ-CKYFFXLPSA-N 0 1 256.302 0.805 20 5 CCBDMN CCN1CC[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819298896 615235763 /nfs/dbraw/zinc/23/57/63/615235763.db2.gz RDPXVZQGVSNNPM-OLZOCXBDSA-N 0 1 293.323 0.839 20 5 CCBDMN CCN1CC[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000882483610 615312536 /nfs/dbraw/zinc/31/25/36/615312536.db2.gz GQDNBMZEMHMVSU-VIFPVBQESA-N 0 1 267.289 0.002 20 5 CCBDMN CCN1C[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000842309140 615348998 /nfs/dbraw/zinc/34/89/98/615348998.db2.gz MYOGDBDDWUUDNZ-DJLDLDEBSA-N 0 1 256.258 0.063 20 5 CCBDMN CCn1ncc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000836074064 615711769 /nfs/dbraw/zinc/71/17/69/615711769.db2.gz RCVPJAPNMNAQOU-UHFFFAOYSA-N 0 1 265.229 0.891 20 5 CCBDMN CN(CC[NH+](C)C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821586469 615893713 /nfs/dbraw/zinc/89/37/13/615893713.db2.gz ZCTKCTXCYBVBAN-UHFFFAOYSA-N 0 1 292.303 0.168 20 5 CCBDMN CN(CC[NH+](C)C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821586469 615893716 /nfs/dbraw/zinc/89/37/16/615893716.db2.gz ZCTKCTXCYBVBAN-UHFFFAOYSA-N 0 1 292.303 0.168 20 5 CCBDMN CN(Cc1nnc2ccccn21)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862111297 616109671 /nfs/dbraw/zinc/10/96/71/616109671.db2.gz NEPHJLHEBIJOOZ-RKDXNWHRSA-N 0 1 275.268 0.353 20 5 CCBDMN CN1CCN(Cc2cn(CC(C)(C)[N+](=O)[O-])nn2)CC1 ZINC000864642595 616245443 /nfs/dbraw/zinc/24/54/43/616245443.db2.gz RTPMBCDMKAWNQR-UHFFFAOYSA-N 0 1 282.348 0.081 20 5 CCBDMN COC(=O)[C@@H]1CCCC[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842331892 616286074 /nfs/dbraw/zinc/28/60/74/616286074.db2.gz OPGLYICKCKARRW-KYXWUPHJSA-N 0 1 271.269 0.927 20 5 CCBDMN CN1C[C@@H](O)C[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000924991966 616325892 /nfs/dbraw/zinc/32/58/92/616325892.db2.gz NYEDVVIQNOHUDP-STQMWFEESA-N 0 1 293.323 0.319 20 5 CCBDMN COC(=O)C(C)(C)n1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000856090548 616344079 /nfs/dbraw/zinc/34/40/79/616344079.db2.gz VQLSQSCIKCNTNL-RKDXNWHRSA-N 0 1 296.283 0.395 20 5 CCBDMN CO[C@@H]1CC[C@H]2OCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])[C@H]2C1 ZINC000839713019 616715739 /nfs/dbraw/zinc/71/57/39/616715739.db2.gz OISPAEMBVHHTSU-PZWNZHSQSA-N 0 1 284.312 0.447 20 5 CCBDMN CNC(=O)NCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837739459 616730349 /nfs/dbraw/zinc/73/03/49/616730349.db2.gz FNNFGSISOLKQFG-UHFFFAOYSA-N 0 1 297.267 0.663 20 5 CCBDMN COC(=O)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839690464 616965554 /nfs/dbraw/zinc/96/55/54/616965554.db2.gz AVMFZXWRDDYOSU-GRYCIOLGSA-N 0 1 292.291 0.725 20 5 CCBDMN COCCN(Cc1ccccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839704760 617027595 /nfs/dbraw/zinc/02/75/95/617027595.db2.gz WBYMWRYQFVAEOX-VXGBXAGGSA-N 0 1 279.296 0.722 20 5 CCBDMN Cn1c(Cl)ncc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000893126005 625330655 /nfs/dbraw/zinc/33/06/55/625330655.db2.gz CIHHJJYHNIXZBF-RNFRBKRXSA-N 0 1 259.649 0.782 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CC[C@H](N2CC=CC2)C1 ZINC000892680410 623699513 /nfs/dbraw/zinc/69/95/13/623699513.db2.gz YLCSWFULTVPFER-JTQLQIEISA-N 0 1 263.301 0.779 20 5 CCBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@H]2CO)cc1 ZINC000934017901 625004409 /nfs/dbraw/zinc/00/44/09/625004409.db2.gz TXNDJVLRGRTNAY-NEPJUHHUSA-N 0 1 252.270 0.695 20 5 CCBDMN C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840672866 631709107 /nfs/dbraw/zinc/70/91/07/631709107.db2.gz XGHBNUMCSASDMR-GWOFURMSSA-N 0 1 284.312 0.699 20 5 CCBDMN Cc1cccc(C)c1OC[C@@H](O)CNCC[N+](=O)[O-] ZINC000899873435 633912473 /nfs/dbraw/zinc/91/24/73/633912473.db2.gz PBFGYHWADJUXNR-LBPRGKRZSA-N 0 1 268.313 0.909 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000912379937 636559854 /nfs/dbraw/zinc/55/98/54/636559854.db2.gz XUDDKXYCMSPHBF-ZDUSSCGKSA-N 0 1 293.327 0.542 20 5 CCBDMN Nc1ccc(C(=O)NCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000070287334 638478108 /nfs/dbraw/zinc/47/81/08/638478108.db2.gz RZYBGKZIGPOUDB-UHFFFAOYSA-N 0 1 262.229 0.225 20 5 CCBDMN CCC(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001013919449 650426059 /nfs/dbraw/zinc/42/60/59/650426059.db2.gz RNHNWORUFDVYPI-GLVIPLPLSA-N 0 1 295.339 0.605 20 5 CCBDMN Cc1nnc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[nH]1 ZINC000103252836 640281271 /nfs/dbraw/zinc/28/12/71/640281271.db2.gz JTZYSCFELYLOQS-UHFFFAOYSA-N 0 1 262.229 0.856 20 5 CCBDMN Cc1n[nH]c(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000103252836 640281277 /nfs/dbraw/zinc/28/12/77/640281277.db2.gz JTZYSCFELYLOQS-UHFFFAOYSA-N 0 1 262.229 0.856 20 5 CCBDMN O=C(NC[C@@H](O)c1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839520246 640317270 /nfs/dbraw/zinc/31/72/70/640317270.db2.gz DBFAOBYXGHUPOB-GMTAPVOTSA-N 0 1 268.244 0.641 20 5 CCBDMN O=C(NC[C@H](O)c1c(F)cccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000839694725 640351659 /nfs/dbraw/zinc/35/16/59/640351659.db2.gz XSMWUOXJBHAZNT-DRTBCBBWSA-N 0 1 286.234 0.780 20 5 CCBDMN O=C(N[C@@H](CCO)c1cccs1)[C@@H]1CC1[N+](=O)[O-] ZINC000839715848 640356392 /nfs/dbraw/zinc/35/63/92/640356392.db2.gz IQLCTTVYKNQCTC-HRDYMLBCSA-N 0 1 270.310 0.953 20 5 CCBDMN C[C@@H](c1ccccc1)[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726203 640357766 /nfs/dbraw/zinc/35/77/66/640357766.db2.gz VOYQAHKMHWHGMO-ZBAXXZLZSA-N 0 1 278.308 0.932 20 5 CCBDMN C[C@H]1C[C@H](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839723143 640358495 /nfs/dbraw/zinc/35/84/95/640358495.db2.gz FWHGTHFATAZLHP-LNFKQOIKSA-N 0 1 256.302 0.973 20 5 CCBDMN C[C@@H]1[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CC(=O)N1C ZINC000806073680 640458828 /nfs/dbraw/zinc/45/88/28/640458828.db2.gz HSJRFOCHJUZFFP-SVRRBLITSA-N 0 1 267.241 0.699 20 5 CCBDMN O=C(Nc1cccc(O[C@H]2CC(=O)N2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839897880 640607369 /nfs/dbraw/zinc/60/73/69/640607369.db2.gz VEUHBMBNJNQUPT-FOGDFJRCSA-N 0 1 291.263 0.515 20 5 CCBDMN Cc1nc([C@H](C)OC(=O)c2cc([N+](=O)[O-])cnc2N)n[nH]1 ZINC000840405180 641518692 /nfs/dbraw/zinc/51/86/92/641518692.db2.gz JUYFCMHBPDPKKH-YFKPBYRVSA-N 0 1 292.255 0.917 20 5 CCBDMN C[C@H](O)C[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840441193 641577745 /nfs/dbraw/zinc/57/77/45/641577745.db2.gz OVHGXSHNJYWTKR-LNFKQOIKSA-N 0 1 256.302 0.804 20 5 CCBDMN Cc1noc(CCCOC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000829278189 642154399 /nfs/dbraw/zinc/15/43/99/642154399.db2.gz IVQIVTLSGJMMJT-HTQZYQBOSA-N 0 1 255.230 0.519 20 5 CCBDMN O=C(NC[C@H]1CCCN1CC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000830939609 642302702 /nfs/dbraw/zinc/30/27/02/642302702.db2.gz ZDRWRJQFCSAXOQ-IWSPIJDZSA-N 0 1 295.261 0.795 20 5 CCBDMN O=C([O-])C[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000833211904 642534700 /nfs/dbraw/zinc/53/47/00/642534700.db2.gz REFMWCBJWKKBMH-QMMMGPOBSA-N 0 1 254.246 0.688 20 5 CCBDMN O=C([O-])C[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000833211904 642534705 /nfs/dbraw/zinc/53/47/05/642534705.db2.gz REFMWCBJWKKBMH-QMMMGPOBSA-N 0 1 254.246 0.688 20 5 CCBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1CNC(=O)N1 ZINC000837514205 642749778 /nfs/dbraw/zinc/74/97/78/642749778.db2.gz LSXASSFCFBHUNR-MRVPVSSYSA-N 0 1 281.224 0.025 20 5 CCBDMN O=C(OCc1cc(=O)[nH]c(C2CC2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000840675349 642786617 /nfs/dbraw/zinc/78/66/17/642786617.db2.gz XDJUVDCXNGTHAB-RKDXNWHRSA-N 0 1 279.252 0.768 20 5 CCBDMN O=C(OC[C@H]1CCCN1CC(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000842337319 642892532 /nfs/dbraw/zinc/89/25/32/642892532.db2.gz NDFXIGSQONRTIT-IWSPIJDZSA-N 0 1 278.255 0.924 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844449334 643217390 /nfs/dbraw/zinc/21/73/90/643217390.db2.gz GNCCDVINJYEMHY-DTORHVGOSA-N 0 1 258.228 0.988 20 5 CCBDMN O=C(O[C@H]1CNOC1)c1cc([N+](=O)[O-])ccc1O ZINC000848059968 643580793 /nfs/dbraw/zinc/58/07/93/643580793.db2.gz MGOQOMFNLQEHFT-ZETCQYMHSA-N 0 1 254.198 0.361 20 5 CCBDMN C[C@@H](c1ccccc1)[C@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856289122 644406674 /nfs/dbraw/zinc/40/66/74/644406674.db2.gz LAXRUBXUSBPMPU-WKSBVSIWSA-N 0 1 278.308 0.932 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000863059050 645058434 /nfs/dbraw/zinc/05/84/34/645058434.db2.gz RUQJMHLKZQNWMT-OTLFIQNISA-N 0 1 272.326 0.164 20 5 CCBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1C[NH2+]C1 ZINC000123842552 646192638 /nfs/dbraw/zinc/19/26/38/646192638.db2.gz WRVSBCZUFOFGNP-UHFFFAOYSA-N 0 1 291.716 0.498 20 5 CCBDMN O=C(OC[C@@H]1CCCCNC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000873611509 646389540 /nfs/dbraw/zinc/38/95/40/646389540.db2.gz RCUHNHFYYFOSAP-DJLDLDEBSA-N 0 1 256.258 0.111 20 5 CCBDMN O=C(N[C@@H](C1CC1)[C@H]1CCCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000885490972 647857849 /nfs/dbraw/zinc/85/78/49/647857849.db2.gz OLOWQGKOLRUXMJ-QCNOEVLYSA-N 0 1 268.313 0.973 20 5 CCBDMN C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000886249134 647936873 /nfs/dbraw/zinc/93/68/73/647936873.db2.gz DGFRPCFONSJPQU-NEPJUHHUSA-N 0 1 294.355 0.877 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000887818170 648158827 /nfs/dbraw/zinc/15/88/27/648158827.db2.gz ALCHSNGVNQZAHS-WRWGMCAJSA-N 0 1 284.312 0.306 20 5 CCBDMN O=C(N[C@@H]1CCOC12CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000890409199 648295638 /nfs/dbraw/zinc/29/56/38/648295638.db2.gz VXYOMUZWGXERQL-OPRDCNLKSA-N 0 1 254.286 0.870 20 5 CCBDMN CN1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@@H]21 ZINC001164670677 719403823 /nfs/dbraw/zinc/40/38/23/719403823.db2.gz XJZXXLPTIRSGEF-VHSXEESVSA-N 0 1 279.300 0.091 20 5 CCBDMN O=C(NC[C@@H](O)COc1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839532389 800025693 /nfs/dbraw/zinc/02/56/93/800025693.db2.gz XDWQWBRIRLYWLI-YUSALJHKSA-N 0 1 298.270 0.347 20 5 CCBDMN Cc1ccc(CNC(=O)CCc2nn[nH]n2)cc1[N+](=O)[O-] ZINC001152094793 800488604 /nfs/dbraw/zinc/48/86/04/800488604.db2.gz LQJOMYXFFLRDNP-UHFFFAOYSA-N 0 1 290.283 0.665 20 5 CCBDMN Cc1ncc([N+](=O)[O-])c(NCc2noc3c2CNCC3)n1 ZINC001155496990 800991792 /nfs/dbraw/zinc/99/17/92/800991792.db2.gz FRTATVYSTABOQY-UHFFFAOYSA-N 0 1 290.283 0.939 20 5 CCBDMN NCc1nnnn1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001158075170 801565099 /nfs/dbraw/zinc/56/50/99/801565099.db2.gz XTJFITANUBSEKU-UHFFFAOYSA-N 0 1 255.625 0.078 20 5 CCBDMN COc1nc(C)c([N+](=O)[O-])c(NC[C@@H]2COCCN2)n1 ZINC001159042481 801747017 /nfs/dbraw/zinc/74/70/17/801747017.db2.gz GSTPLWJVTSFPFY-MRVPVSSYSA-N 0 1 283.288 0.102 20 5 CCBDMN CCOc1nc(N[C@](N)(CC)CO)ccc1[N+](=O)[O-] ZINC001159742550 801857420 /nfs/dbraw/zinc/85/74/20/801857420.db2.gz BBVLKISTQDDCON-LLVKDONJSA-N 0 1 270.289 0.858 20 5 CCBDMN NC(=O)c1cc(NCc2c[nH]nn2)ccc1[N+](=O)[O-] ZINC001162669042 802384238 /nfs/dbraw/zinc/38/42/38/802384238.db2.gz DCHKPBYWYXPQLX-UHFFFAOYSA-N 0 1 262.229 0.424 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(NCc2n[nH]c(C)n2)n1 ZINC001164295357 802710811 /nfs/dbraw/zinc/71/08/11/802710811.db2.gz WPPQNWQVWNIKFS-UHFFFAOYSA-N 0 1 292.255 0.815 20 5 CCBDMN CN1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227109313 805324779 /nfs/dbraw/zinc/32/47/79/805324779.db2.gz WKRGJRAEIJTTQY-MRVPVSSYSA-N 0 1 268.229 0.981 20 5 CCBDMN O=[N+]([O-])c1c[n+]([O-])ccc1O[C@@H]1CN2CCC1CC2 ZINC001229452821 805535737 /nfs/dbraw/zinc/53/57/37/805535737.db2.gz WXXNYVIWRAQYPW-GFCCVEGCSA-N 0 1 265.269 0.701 20 5 CCBDMN C[C@H](CC[S@@](C)=O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001253838312 808154884 /nfs/dbraw/zinc/15/48/84/808154884.db2.gz HBKJNMHRMBOUMQ-FWCARGHBSA-N 0 1 274.302 0.205 20 5 CCBDMN Cc1c(C(=O)N2CCNC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC001263180443 809472282 /nfs/dbraw/zinc/47/22/82/809472282.db2.gz LYUMJJVTEXZSEO-SNVBAGLBSA-N 0 1 279.296 0.310 20 5 CCBDMN Cc1nc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)o1 ZINC001126936657 815325121 /nfs/dbraw/zinc/32/51/21/815325121.db2.gz PDFCLRKSYSKFFH-MWLCHTKSSA-N 0 1 282.300 0.162 20 5 CCBDMN Cc1cccc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001030292119 815961051 /nfs/dbraw/zinc/96/10/51/815961051.db2.gz UZIVRNWUHJKSGH-ZIAGYGMSSA-N 0 1 289.335 0.961 20 5 CCBDMN O=C(CC1CC1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062388568 819930852 /nfs/dbraw/zinc/93/08/52/819930852.db2.gz OOKLEWYYVBIQEI-GHMZBOCLSA-N 0 1 295.339 0.607 20 5 CCBDMN COc1nc(C)c([N+](=O)[O-])c(N2CC(N(C)C)C2)n1 ZINC001163933736 820452618 /nfs/dbraw/zinc/45/26/18/820452618.db2.gz OIQAQILCUNBKBI-UHFFFAOYSA-N 0 1 267.289 0.452 20 5 CCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC(N2CCCC2)C1 ZINC000827897431 821710038 /nfs/dbraw/zinc/71/00/38/821710038.db2.gz KYIXEQOVIQADSA-UHFFFAOYSA-N 0 1 293.327 0.488 20 5 CCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(F)F ZINC001066574523 822344459 /nfs/dbraw/zinc/34/44/59/822344459.db2.gz FJAYQSMZNGHGEF-HTQZYQBOSA-N 0 1 293.270 0.224 20 5 CCBDMN CCC(=O)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169005251 836095024 /nfs/dbraw/zinc/09/50/24/836095024.db2.gz AAWMSHAEBBSENA-VXGBXAGGSA-N 0 1 269.345 0.986 20 5 CCBDMN CS(=O)(=O)[C@H]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037970 836111653 /nfs/dbraw/zinc/11/16/53/836111653.db2.gz UOHJAVVLEHROHY-AXFHLTTASA-N 0 1 276.358 0.551 20 5 CCBDMN CS(=O)(=O)[C@H]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037977 836111808 /nfs/dbraw/zinc/11/18/08/836111808.db2.gz UOHJAVVLEHROHY-VWYCJHECSA-N 0 1 276.358 0.551 20 5 CCBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC(N3CCOCC3)C2)C1 ZINC001169038387 836112771 /nfs/dbraw/zinc/11/27/71/836112771.db2.gz YKPDJCIVQFYOHX-NEPJUHHUSA-N 0 1 269.345 0.448 20 5 CCBDMN COCCOC1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169050518 836116521 /nfs/dbraw/zinc/11/65/21/836116521.db2.gz BHXKATVVWBMZOU-GHMZBOCLSA-N 0 1 258.318 0.779 20 5 CCBDMN COc1ccc([N+](=O)[O-])nc1NC[C@@H]1COCCN1 ZINC001170042783 836774462 /nfs/dbraw/zinc/77/44/62/836774462.db2.gz DRUZIKKWWJGCFX-MRVPVSSYSA-N 0 1 268.273 0.399 20 5 CCBDMN COc1ncnc(N2C[C@H]3CCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157264842 836905523 /nfs/dbraw/zinc/90/55/23/836905523.db2.gz GDYQGPWHZUJGAL-NXEZZACHSA-N 0 1 293.327 0.924 20 5 CCBDMN COc1ccc(C[C@@H](C)n2nnnc2CN)c([N+](=O)[O-])c1 ZINC001170304532 837288398 /nfs/dbraw/zinc/28/83/98/837288398.db2.gz DPQPKNIWFZLGDG-MRVPVSSYSA-N 0 1 292.299 0.852 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2nn[nH]n2)c1C ZINC001136627426 839685621 /nfs/dbraw/zinc/68/56/21/839685621.db2.gz IUEXXFZFEQEDAL-UHFFFAOYSA-N 0 1 276.256 0.655 20 5 CCBDMN Cc1ccc(CN2C[C@H](CO)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000714029185 841168323 /nfs/dbraw/zinc/16/83/23/841168323.db2.gz LBNLKIQPMJPDDP-BETUJISGSA-N 0 1 280.324 0.936 20 5 CCBDMN O=C(NCCNc1ccc([N+](=O)[O-])cn1)c1[nH]ncc1F ZINC001094103800 841546950 /nfs/dbraw/zinc/54/69/50/841546950.db2.gz IZKIQQLSMCVURU-UHFFFAOYSA-N 0 1 294.246 0.694 20 5 CCBDMN COc1ncc([N+](=O)[O-])cc1Nc1nccnc1CN ZINC001171447416 841650563 /nfs/dbraw/zinc/65/05/63/841650563.db2.gz DZPMYGPEBDTCDX-UHFFFAOYSA-N 0 1 276.256 0.991 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C)CC2(C)C)n1 ZINC001178709375 842909300 /nfs/dbraw/zinc/90/93/00/842909300.db2.gz NFOBARFFHJSVGV-SECBINFHSA-N 0 1 281.316 0.398 20 5 CCBDMN CNC(=O)C[C@H](C)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001181829240 843623098 /nfs/dbraw/zinc/62/30/98/843623098.db2.gz XYWOXCJBPMPILA-QMMMGPOBSA-N 0 1 297.311 0.923 20 5 CCBDMN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(C)=O)CC1 ZINC001069072869 853943604 /nfs/dbraw/zinc/94/36/04/853943604.db2.gz PBPAAPLAWJHVQA-GHMZBOCLSA-N 0 1 283.328 0.559 20 5 CCBDMN C/C=C(/C)C(=O)NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001296566104 906934462 /nfs/dbraw/zinc/93/44/62/906934462.db2.gz JPIBCNRGIPDART-BTRLNGJCSA-N 0 1 295.339 0.725 20 5 CCBDMN CCn1c(C[N+](=O)[O-])nnc1N1CCN(C)C(C)(C)C1 ZINC001339327785 921700163 /nfs/dbraw/zinc/70/01/63/921700163.db2.gz RDVDJQNUIOJLIZ-UHFFFAOYSA-N 0 1 282.348 0.605 20 5 CCBDMN Cc1noc(CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC001336413536 920761281 /nfs/dbraw/zinc/76/12/81/920761281.db2.gz SUNYWVSEHNPWAW-UHFFFAOYSA-N 0 1 280.244 0.372 20 5 CCBDMN CC(C)C(=O)NCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001340499872 922102397 /nfs/dbraw/zinc/10/23/97/922102397.db2.gz QZFPTOMFULAIDG-GHMZBOCLSA-N 0 1 297.355 0.710 20 5 CCBDMN CN(CCCOC(=O)[C@@H]1CC1[N+](=O)[O-])CC(F)F ZINC001344434202 923603449 /nfs/dbraw/zinc/60/34/49/923603449.db2.gz CWEALIXHHDRJOL-HTQZYQBOSA-N 0 1 266.244 0.782 20 5 CCBDMN Cn1cccc1[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001345064198 923780422 /nfs/dbraw/zinc/78/04/22/923780422.db2.gz ATNZQBMHEZVYQG-YUSALJHKSA-N 0 1 279.296 0.590 20 5 CCBDMN C[C@H]1CC(=O)NN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001473534144 926788606 /nfs/dbraw/zinc/78/86/06/926788606.db2.gz VDUJFCSLJHQNOE-ZETCQYMHSA-N 0 1 251.242 0.926 20 5 CCBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCc3[nH]nnc3C2)n1 ZINC001444498294 929884611 /nfs/dbraw/zinc/88/46/11/929884611.db2.gz FEUTULAPKFEVQC-UHFFFAOYSA-N 0 1 288.267 0.615 20 5 CCBDMN CC[N@@H+](C)C[C@@H](O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001596190378 983563772 /nfs/dbraw/zinc/56/37/72/983563772.db2.gz CGTKXRBHVFEIQN-SECBINFHSA-N 0 1 298.295 0.984 20 5 CCBDMN CC[N@H+](CCC(=O)[O-])Cn1cc([N+](=O)[O-])c(C)n1 ZINC001596316129 983748880 /nfs/dbraw/zinc/74/88/80/983748880.db2.gz UXOUIWUKORUXOI-UHFFFAOYSA-N 0 1 256.262 0.854 20 5 CCBDMN CC[N@@H+](CCC(=O)[O-])Cn1cc([N+](=O)[O-])c(C)n1 ZINC001596316129 983748883 /nfs/dbraw/zinc/74/88/83/983748883.db2.gz UXOUIWUKORUXOI-UHFFFAOYSA-N 0 1 256.262 0.854 20 5 CCBDMN C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC001599929926 985293080 /nfs/dbraw/zinc/29/30/80/985293080.db2.gz HDOWTJINHWKATN-WCBMZHEXSA-N 0 1 282.300 0.871 20 5 CCBDMN C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1CC(=O)[O-] ZINC001599867480 989292751 /nfs/dbraw/zinc/29/27/51/989292751.db2.gz UBRJOPCBUYMNTN-RKDXNWHRSA-N 0 1 282.300 0.871 20 5 CCBDMN CO[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC001599123315 997784654 /nfs/dbraw/zinc/78/46/54/997784654.db2.gz JVQMFSYBYGCKBL-VHSXEESVSA-N 0 1 298.299 0.392 20 5 CCBDMN CC(C)[C@@H]1CNCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000599614823 361760370 /nfs/dbraw/zinc/76/03/70/361760370.db2.gz UMWKGDLRFYJDGO-NSHDSACASA-N 0 1 293.327 0.873 20 5 CCBDMN CO[C@H]1C[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000600801295 362063390 /nfs/dbraw/zinc/06/33/90/362063390.db2.gz SAZGLIDGEFDSIS-KNVOCYPGSA-N 0 1 254.246 0.473 20 5 CCBDMN O=C(Nc1cc(-n2cnnn2)ccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000361536017 232149636 /nfs/dbraw/zinc/14/96/36/232149636.db2.gz OLUWKWSCVQDNOG-GMSGAONNSA-N 0 1 292.230 0.405 20 5 CCBDMN CC(C)N1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602438471 362617241 /nfs/dbraw/zinc/61/72/41/362617241.db2.gz RDGLWELWPGLPFD-UHFFFAOYSA-N 0 1 267.333 0.854 20 5 CCBDMN C[C@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CNCCO1 ZINC000602445584 362622129 /nfs/dbraw/zinc/62/21/29/362622129.db2.gz RIEMBWDLZBFVRK-CQSZACIVSA-N 0 1 293.323 0.632 20 5 CCBDMN C[N@H+](CCC(N)=O)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339196971 215006448 /nfs/dbraw/zinc/00/64/48/215006448.db2.gz XRFMEGAUXTWTSB-UHFFFAOYSA-N 0 1 253.258 0.608 20 5 CCBDMN C[N@@H+](CCC(N)=O)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339196971 215006450 /nfs/dbraw/zinc/00/64/50/215006450.db2.gz XRFMEGAUXTWTSB-UHFFFAOYSA-N 0 1 253.258 0.608 20 5 CCBDMN Cn1cc(CN[C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])n1 ZINC000602622113 362718338 /nfs/dbraw/zinc/71/83/38/362718338.db2.gz JWGMMKHALHTYQG-BDAKNGLRSA-N 0 1 254.290 0.577 20 5 CCBDMN CN(C)C(=O)[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602690456 362751761 /nfs/dbraw/zinc/75/17/61/362751761.db2.gz NCFVFRHNWNPDQE-SECBINFHSA-N 0 1 281.316 0.238 20 5 CCBDMN C[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1CO ZINC000602713481 362765184 /nfs/dbraw/zinc/76/51/84/362765184.db2.gz BZDZYKPDCGJHJM-KOLCDFICSA-N 0 1 268.317 0.779 20 5 CCBDMN COC[C@H](N)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000262263544 137033623 /nfs/dbraw/zinc/03/36/23/137033623.db2.gz USGJHJUBBMRFHN-JTQLQIEISA-N 0 1 297.267 0.294 20 5 CCBDMN O=C(NC[C@H]1CCCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC000343232636 137121847 /nfs/dbraw/zinc/12/18/47/137121847.db2.gz QWKZEDWFVRJVIN-SSDOTTSWSA-N 0 1 254.246 0.474 20 5 CCBDMN O=C(NCCCOC[C@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC000343717498 137152130 /nfs/dbraw/zinc/15/21/30/137152130.db2.gz GEWVZYXBDBLUTD-SECBINFHSA-N 0 1 298.299 0.491 20 5 CCBDMN O=C(NCCSCCCO)c1n[nH]cc1[N+](=O)[O-] ZINC000343849636 137161855 /nfs/dbraw/zinc/16/18/55/137161855.db2.gz CUSRUAISYAGUTR-UHFFFAOYSA-N 0 1 274.302 0.163 20 5 CCBDMN O=C(N[C@@H]1CCc2n[nH]cc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000343382078 137131783 /nfs/dbraw/zinc/13/17/83/137131783.db2.gz DNBSCMBLKRMALT-SSDOTTSWSA-N 0 1 276.256 0.328 20 5 CCBDMN Cc1ccc(C(=O)NCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000037921199 348219292 /nfs/dbraw/zinc/21/92/92/348219292.db2.gz OQNZNWSZJQZBAO-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN C[C@@]1(CO)C[C@H](O)CN1Cc1ccccc1[N+](=O)[O-] ZINC000602900297 362874549 /nfs/dbraw/zinc/87/45/49/362874549.db2.gz SVNYRDRPPIUCHX-AAEUAGOBSA-N 0 1 266.297 0.912 20 5 CCBDMN C[C@@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1CO ZINC000602989882 362926199 /nfs/dbraw/zinc/92/61/99/362926199.db2.gz ANLLHAREVDYNHL-MWLCHTKSSA-N 0 1 268.317 0.921 20 5 CCBDMN O=C1CCN(CCOc2cccc([N+](=O)[O-])c2)CCN1 ZINC000065955020 348729985 /nfs/dbraw/zinc/72/99/85/348729985.db2.gz ORBKTGDLZSJKHL-UHFFFAOYSA-N 0 1 279.296 0.796 20 5 CCBDMN O=C1CCN(CCOc2ccccc2[N+](=O)[O-])CCN1 ZINC000065954573 348730185 /nfs/dbraw/zinc/73/01/85/348730185.db2.gz SWSLYYLCXRYTMO-UHFFFAOYSA-N 0 1 279.296 0.796 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603091472 362958665 /nfs/dbraw/zinc/95/86/65/362958665.db2.gz XRMIQRPCVRHCMJ-CABZTGNLSA-N 0 1 250.254 0.867 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603091472 362958668 /nfs/dbraw/zinc/95/86/68/362958668.db2.gz XRMIQRPCVRHCMJ-CABZTGNLSA-N 0 1 250.254 0.867 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](CC(=O)[O-])CC2)n1 ZINC000162698459 350750463 /nfs/dbraw/zinc/75/04/63/350750463.db2.gz JTPCEPWIGYMAIR-UHFFFAOYSA-N 0 1 294.311 0.895 20 5 CCBDMN COC[C@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167829065 350814736 /nfs/dbraw/zinc/81/47/36/350814736.db2.gz MVRCGTWAKWZZKL-KWQFWETISA-N 0 1 267.285 0.746 20 5 CCBDMN CC[C@@H](NCC(=O)NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000181555992 351325864 /nfs/dbraw/zinc/32/58/64/351325864.db2.gz DUSCVVPSYFDIFN-SNVBAGLBSA-N 0 1 280.284 0.830 20 5 CCBDMN CC[C@H](NCC(=O)NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000181555977 351326323 /nfs/dbraw/zinc/32/63/23/351326323.db2.gz DUSCVVPSYFDIFN-JTQLQIEISA-N 0 1 280.284 0.830 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H]2CO)c1[N+](=O)[O-] ZINC000192933259 351804329 /nfs/dbraw/zinc/80/43/29/351804329.db2.gz LUDBSLTWPLHAQE-VXNVDRBHSA-N 0 1 282.300 0.723 20 5 CCBDMN CN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CCCN(C)C1 ZINC000230697672 352118185 /nfs/dbraw/zinc/11/81/85/352118185.db2.gz DYRWKMZAFLIZFM-SECBINFHSA-N 0 1 293.327 0.738 20 5 CCBDMN COCC[N@@H+](C)CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000234623991 352164015 /nfs/dbraw/zinc/16/40/15/352164015.db2.gz SUBPCHCIQDPHSJ-UHFFFAOYSA-N 0 1 297.311 0.608 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2COCCN2)c1 ZINC000235908140 352189745 /nfs/dbraw/zinc/18/97/45/352189745.db2.gz DAQHJGRIPQQDQV-JTQLQIEISA-N 0 1 279.296 0.621 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000236078613 352191300 /nfs/dbraw/zinc/19/13/00/352191300.db2.gz SGFVSJLFDGCUTP-SNVBAGLBSA-N 0 1 299.714 0.966 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1csc([N+](=O)[O-])c1 ZINC000236403260 352194416 /nfs/dbraw/zinc/19/44/16/352194416.db2.gz ZGZLYGWHJZIODD-MRVPVSSYSA-N 0 1 271.298 0.375 20 5 CCBDMN CO[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000270846603 352994938 /nfs/dbraw/zinc/99/49/38/352994938.db2.gz WOUPXXSEOHQEJZ-MRVPVSSYSA-N 0 1 256.262 0.719 20 5 CCBDMN C[C@H](CO)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272670103 353084825 /nfs/dbraw/zinc/08/48/25/353084825.db2.gz KMODRHRWHJIZFO-ZETCQYMHSA-N 0 1 254.242 0.659 20 5 CCBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@](O)(C(N)=O)C1 ZINC000286113503 353563229 /nfs/dbraw/zinc/56/32/29/353563229.db2.gz JBOYLMQLZJWCQX-YGRLFVJLSA-N 0 1 293.323 0.968 20 5 CCBDMN C[C@H]1COCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000286699937 353604802 /nfs/dbraw/zinc/60/48/02/353604802.db2.gz DCLQRENNWUCRJE-JGVFFNPUSA-N 0 1 268.273 0.720 20 5 CCBDMN C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000288020725 353682256 /nfs/dbraw/zinc/68/22/56/353682256.db2.gz CSTRIXQCZLYPES-ZETCQYMHSA-N 0 1 268.273 0.375 20 5 CCBDMN CCCN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000298721757 353966369 /nfs/dbraw/zinc/96/63/69/353966369.db2.gz NOMDDKROHNCTNP-UHFFFAOYSA-N 0 1 281.316 0.346 20 5 CCBDMN CC(C)(O)CONC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000298887622 353976069 /nfs/dbraw/zinc/97/60/69/353976069.db2.gz IOQCEQHSKVPRHY-UHFFFAOYSA-N 0 1 270.241 0.733 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000299443484 354017134 /nfs/dbraw/zinc/01/71/34/354017134.db2.gz LTPRYGQVNRCRQW-RNFRBKRXSA-N 0 1 268.273 0.876 20 5 CCBDMN CC[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CCO1 ZINC000299546176 354026571 /nfs/dbraw/zinc/02/65/71/354026571.db2.gz PREKSICBWSMYNJ-QMMMGPOBSA-N 0 1 268.273 0.877 20 5 CCBDMN C[C@H]1COC(C)(C)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331118497 354455655 /nfs/dbraw/zinc/45/56/55/354455655.db2.gz ONVOUKGRSSXVHS-JQWIXIFHSA-N 0 1 298.343 0.652 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H](CO)C(C)(C)C ZINC000331308357 354528121 /nfs/dbraw/zinc/52/81/21/354528121.db2.gz XDFBDJRTTCWYFZ-VIFPVBQESA-N 0 1 256.306 0.825 20 5 CCBDMN CC(=O)N1CC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000332439527 354672442 /nfs/dbraw/zinc/67/24/42/354672442.db2.gz JNLRPJULUURFEP-UHFFFAOYSA-N 0 1 279.252 0.261 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000425527914 235305259 /nfs/dbraw/zinc/30/52/59/235305259.db2.gz OPACOCQJEKHGIU-GARJFASQSA-N 0 1 280.328 0.921 20 5 CCBDMN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1COC[C@@H]1O ZINC000352802620 356084055 /nfs/dbraw/zinc/08/40/55/356084055.db2.gz MFGNOFRGNDFMSB-OLZOCXBDSA-N 0 1 282.296 0.665 20 5 CCBDMN CCc1nc(NC(=O)c2cc([N+](=O)[O-])nn2C)n[nH]1 ZINC000360752984 138009324 /nfs/dbraw/zinc/00/93/24/138009324.db2.gz HWTAPDXRYALUBW-UHFFFAOYSA-N 0 1 265.233 0.261 20 5 CCBDMN CCc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])nn2C)n1 ZINC000360752984 138009325 /nfs/dbraw/zinc/00/93/25/138009325.db2.gz HWTAPDXRYALUBW-UHFFFAOYSA-N 0 1 265.233 0.261 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(Nc2ccn(CC(N)=O)n2)n1 ZINC000360670290 138005743 /nfs/dbraw/zinc/00/57/43/138005743.db2.gz VGYMHNQKMOMXJT-UHFFFAOYSA-N 0 1 276.256 0.146 20 5 CCBDMN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000363157016 138086588 /nfs/dbraw/zinc/08/65/88/138086588.db2.gz ZIRFUKKVTAYBCV-KKOKHZNYSA-N 0 1 262.265 0.426 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000609132321 363473202 /nfs/dbraw/zinc/47/32/02/363473202.db2.gz DFQWWHDCTJHNOY-WDEREUQCSA-N 0 1 295.343 0.364 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)Cc2cn[nH]c2)c1[N+](=O)[O-] ZINC000609624451 363510974 /nfs/dbraw/zinc/51/09/74/363510974.db2.gz DHRODCGQKWHBMT-UHFFFAOYSA-N 0 1 264.245 0.622 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2[nH]nnc2C1 ZINC000359744780 356883468 /nfs/dbraw/zinc/88/34/68/356883468.db2.gz QUJNCYQCXUQEPJ-UHFFFAOYSA-N 0 1 273.252 0.911 20 5 CCBDMN CO[C@@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCOC1 ZINC000359943814 356924142 /nfs/dbraw/zinc/92/41/42/356924142.db2.gz KLGUGPKDDABVOU-CYBMUJFWSA-N 0 1 296.279 0.836 20 5 CCBDMN CS(=O)(=O)N1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000400162393 357788042 /nfs/dbraw/zinc/78/80/42/357788042.db2.gz HBCDOJXTMKMKGN-LLVKDONJSA-N 0 1 299.352 0.718 20 5 CCBDMN COC1(C)CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000408057387 357894089 /nfs/dbraw/zinc/89/40/89/357894089.db2.gz UCKPWZQCELSRRT-UHFFFAOYSA-N 0 1 254.246 0.487 20 5 CCBDMN C[N@H+]1CC[C@@H]2CN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC000567985158 358621705 /nfs/dbraw/zinc/62/17/05/358621705.db2.gz NSDGWYRYBZGNQP-KCJUWKMLSA-N 0 1 292.295 0.828 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C3CC3)C2)n1 ZINC000568465195 358676047 /nfs/dbraw/zinc/67/60/47/358676047.db2.gz DTBONKQUNOJGCT-VIFPVBQESA-N 0 1 293.327 0.778 20 5 CCBDMN C[C@@H](C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1)C(=O)[O-] ZINC000573856360 359005611 /nfs/dbraw/zinc/00/56/11/359005611.db2.gz XNPINWPJWYKKNX-VIFPVBQESA-N 0 1 282.300 0.976 20 5 CCBDMN Cc1cc(C[C@H](C)NC(=O)c2c[nH]nc2[N+](=O)[O-])n[nH]1 ZINC000580029436 359077225 /nfs/dbraw/zinc/07/72/25/359077225.db2.gz VDHYXDITGMHTLH-LURJTMIESA-N 0 1 278.272 0.710 20 5 CCBDMN C[NH+](C)C1CC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000590355893 359443327 /nfs/dbraw/zinc/44/33/27/359443327.db2.gz KJCFKHCQXLOZOP-UHFFFAOYSA-N 0 1 280.284 0.518 20 5 CCBDMN C[N@@H+]1C[C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590446503 359470098 /nfs/dbraw/zinc/47/00/98/359470098.db2.gz UDSZXZUMYVPTGO-KCJUWKMLSA-N 0 1 292.295 0.472 20 5 CCBDMN C[N@H+]1C[C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590446503 359470102 /nfs/dbraw/zinc/47/01/02/359470102.db2.gz UDSZXZUMYVPTGO-KCJUWKMLSA-N 0 1 292.295 0.472 20 5 CCBDMN COC(=O)Cc1ccc(NCc2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000590690176 359507544 /nfs/dbraw/zinc/50/75/44/359507544.db2.gz CFEYNWIVPSPQOX-UHFFFAOYSA-N 0 1 292.255 0.436 20 5 CCBDMN C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000563107705 291193960 /nfs/dbraw/zinc/19/39/60/291193960.db2.gz YVFXNRCAVRDGPF-GMSGAONNSA-N 0 1 280.284 0.423 20 5 CCBDMN COC(=O)C[C@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000592048841 359742964 /nfs/dbraw/zinc/74/29/64/359742964.db2.gz JZLWZMIUZFDEML-NSHDSACASA-N 0 1 295.295 0.144 20 5 CCBDMN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592367208 359826358 /nfs/dbraw/zinc/82/63/58/359826358.db2.gz RPNZJNZRFXCFFB-ZETCQYMHSA-N 0 1 274.302 0.005 20 5 CCBDMN CCCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592829704 359947461 /nfs/dbraw/zinc/94/74/61/359947461.db2.gz VUCXRCOFSJKLGZ-JTQLQIEISA-N 0 1 295.343 0.885 20 5 CCBDMN CNc1nccc(C(=O)NCc2cc(C)[nH]n2)c1[N+](=O)[O-] ZINC000594297542 360270704 /nfs/dbraw/zinc/27/07/04/360270704.db2.gz XDTFRGKZSFZEPI-UHFFFAOYSA-N 0 1 290.283 0.415 20 5 CCBDMN O=[N+]([O-])c1ccsc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594601399 360337386 /nfs/dbraw/zinc/33/73/86/360337386.db2.gz AIKBPQOHPDZEAS-DTWKUNHWSA-N 0 1 269.326 0.912 20 5 CCBDMN CC(C)OC[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595248401 360457358 /nfs/dbraw/zinc/45/73/58/360457358.db2.gz GFTGNLCUUQBUKO-LBPRGKRZSA-N 0 1 281.312 0.963 20 5 CCBDMN [NH3+]CC12CC(C1)CN2C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000595942532 360718582 /nfs/dbraw/zinc/71/85/82/360718582.db2.gz JOUJRCOMRDSAGH-UHFFFAOYSA-N 0 1 278.268 0.259 20 5 CCBDMN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccn1C ZINC000596069120 360787493 /nfs/dbraw/zinc/78/74/93/360787493.db2.gz KFWKRECPOPSMIU-MWLCHTKSSA-N 0 1 294.315 0.237 20 5 CCBDMN C[C@@H](O)CN1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596109552 360797726 /nfs/dbraw/zinc/79/77/26/360797726.db2.gz DIVZNHNTRXZDIB-SECBINFHSA-N 0 1 282.300 0.198 20 5 CCBDMN CNC(=O)c1ccc(N(C)CC2CN(C)C2)c([N+](=O)[O-])c1 ZINC000596454964 360900317 /nfs/dbraw/zinc/90/03/17/360900317.db2.gz XDIMZIAPXCDIIV-UHFFFAOYSA-N 0 1 292.339 0.952 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CCOCCN2)c1[N+](=O)[O-] ZINC000597705191 361201490 /nfs/dbraw/zinc/20/14/90/361201490.db2.gz AAIJWASLXHHEKK-UHFFFAOYSA-N 0 1 283.288 0.418 20 5 CCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCOC1 ZINC000597721301 361210954 /nfs/dbraw/zinc/21/09/54/361210954.db2.gz QJPNXBSXFVRQEX-UHFFFAOYSA-N 0 1 262.225 0.901 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000597858751 361271258 /nfs/dbraw/zinc/27/12/58/361271258.db2.gz OVRVKNVYJNVQIX-VIFPVBQESA-N 0 1 295.343 0.931 20 5 CCBDMN COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598537059 361443116 /nfs/dbraw/zinc/44/31/16/361443116.db2.gz DHCKXBPARVGCCD-RQJHMYQMSA-N 0 1 282.256 0.389 20 5 CCBDMN CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000598774320 361512956 /nfs/dbraw/zinc/51/29/56/361512956.db2.gz FVPHFVPDNOBPAJ-SECBINFHSA-N 0 1 294.311 0.910 20 5 CCBDMN CCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000598774320 361512960 /nfs/dbraw/zinc/51/29/60/361512960.db2.gz FVPHFVPDNOBPAJ-SECBINFHSA-N 0 1 294.311 0.910 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1NCCN1CC[C@H](O)C1 ZINC000599198986 361608519 /nfs/dbraw/zinc/60/85/19/361608519.db2.gz DTVDTLFJFWHXPQ-NSHDSACASA-N 0 1 266.301 0.199 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2CCCC2)n1 ZINC000599212732 361613225 /nfs/dbraw/zinc/61/32/25/361613225.db2.gz DTLSZOXJRVLPEF-UHFFFAOYSA-N 0 1 288.329 0.797 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC=CCC2)n1 ZINC000599238225 361617921 /nfs/dbraw/zinc/61/79/21/361617921.db2.gz OZJDUQYJCNCESH-QMMMGPOBSA-N 0 1 286.313 0.715 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(C)CC2)n1 ZINC000599247347 361619672 /nfs/dbraw/zinc/61/96/72/361619672.db2.gz ALIZAFNIYHSFRC-UHFFFAOYSA-N 0 1 274.302 0.407 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCCF)n1 ZINC000599318079 361651192 /nfs/dbraw/zinc/65/11/92/361651192.db2.gz FWJNUXFNGBAZGS-UHFFFAOYSA-N 0 1 280.281 0.356 20 5 CCBDMN NC(=O)c1cnccc1NCCn1cc([N+](=O)[O-])cn1 ZINC000302143585 201362698 /nfs/dbraw/zinc/36/26/98/201362698.db2.gz IEWKQNKBDFFXRP-UHFFFAOYSA-N 0 1 276.256 0.397 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](CO)[C@H](CO)C1 ZINC000599531131 361727638 /nfs/dbraw/zinc/72/76/38/361727638.db2.gz JRFRKUYHZVBONH-RYUDHWBXSA-N 0 1 296.323 0.636 20 5 CCBDMN NC(=O)C1(NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000616141934 365188239 /nfs/dbraw/zinc/18/82/39/365188239.db2.gz ZHUUQDYGZUECFQ-UHFFFAOYSA-N 0 1 279.296 0.719 20 5 CCBDMN CO[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C(=O)[O-])C1 ZINC000515672871 249143391 /nfs/dbraw/zinc/14/33/91/249143391.db2.gz KYVZKZUYMPIMCU-NXEZZACHSA-N 0 1 298.299 0.355 20 5 CCBDMN CN1CCN(CCNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000285957984 388818340 /nfs/dbraw/zinc/81/83/40/388818340.db2.gz AHTBHHRDVDLXBU-UHFFFAOYSA-N 0 1 279.344 0.836 20 5 CCBDMN CCc1nc(CNC(=O)c2cccc([N+](=O)[O-])c2N)n[nH]1 ZINC000295382097 389005159 /nfs/dbraw/zinc/00/51/59/389005159.db2.gz POXFFVGMTJONNE-UHFFFAOYSA-N 0 1 290.283 0.788 20 5 CCBDMN C[C@@H](O)CN1CCN(c2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000264296529 389318910 /nfs/dbraw/zinc/31/89/10/389318910.db2.gz CKWGAVILLVGIMH-NXEZZACHSA-N 0 1 283.332 0.220 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408375743 389343976 /nfs/dbraw/zinc/34/39/76/389343976.db2.gz LGTWCNCUAMRFJO-POYBYMJQSA-N 0 1 268.273 0.469 20 5 CCBDMN CCOCCO[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000157636641 389332583 /nfs/dbraw/zinc/33/25/83/389332583.db2.gz LRGGFOOIZGGODW-LBPRGKRZSA-N 0 1 298.343 0.919 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268968433 389396462 /nfs/dbraw/zinc/39/64/62/389396462.db2.gz LBTDROUHXIWYRX-SECBINFHSA-N 0 1 290.283 0.708 20 5 CCBDMN C[C@H]1CCN(C)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347523238 389354474 /nfs/dbraw/zinc/35/44/74/389354474.db2.gz NOKHGYVDHHLNTP-VIFPVBQESA-N 0 1 281.316 0.495 20 5 CCBDMN O=C(NCCCOC[C@@H]1CCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000159187011 389360384 /nfs/dbraw/zinc/36/03/84/389360384.db2.gz XOYHEORXGHUNMD-VIFPVBQESA-N 0 1 298.299 0.633 20 5 CCBDMN CC(C)c1n[nH]c(C(=O)N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000270860500 389435268 /nfs/dbraw/zinc/43/52/68/389435268.db2.gz SWJYYOMPYFWLHG-UHFFFAOYSA-N 0 1 281.316 0.827 20 5 CCBDMN C[C@@H]1[C@@H](C)N(C(=O)Nc2ccncc2[N+](=O)[O-])CCN1C ZINC000349904779 389456723 /nfs/dbraw/zinc/45/67/23/389456723.db2.gz KGNJBVUUOPOWGV-NXEZZACHSA-N 0 1 293.327 0.968 20 5 CCBDMN C[C@@H]1CCN(C)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000350904015 389555424 /nfs/dbraw/zinc/55/54/24/389555424.db2.gz VGDWRFMDSXEYPD-SECBINFHSA-N 0 1 293.327 0.738 20 5 CCBDMN CC[C@@](C)(CCO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000351635787 389642453 /nfs/dbraw/zinc/64/24/53/389642453.db2.gz LSHCWIHQRWDJOE-JTQLQIEISA-N 0 1 256.262 0.599 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C)C[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000428613180 389710329 /nfs/dbraw/zinc/71/03/29/389710329.db2.gz AHLFBYVCCSMEHN-SVRRBLITSA-N 0 1 295.299 0.352 20 5 CCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC[NH2+]CC2)s1 ZINC000440348348 390035600 /nfs/dbraw/zinc/03/56/00/390035600.db2.gz KMAFUWOSVJXETD-UHFFFAOYSA-N 0 1 291.354 0.687 20 5 CCBDMN O=C(NCCCCn1ccnc1)c1n[nH]cc1[N+](=O)[O-] ZINC000535002189 390133470 /nfs/dbraw/zinc/13/34/70/390133470.db2.gz GHNQZNMEQXPSSR-UHFFFAOYSA-N 0 1 278.272 0.725 20 5 CCBDMN CN(C)C1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000540418895 390219250 /nfs/dbraw/zinc/21/92/50/390219250.db2.gz BLZGVEDNVJHTRF-UHFFFAOYSA-N 0 1 250.258 0.376 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC(=O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000281629773 195313613 /nfs/dbraw/zinc/31/36/13/195313613.db2.gz QAHRUENTUUDBDL-LURJTMIESA-N 0 1 266.257 0.677 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000554451980 390427011 /nfs/dbraw/zinc/42/70/11/390427011.db2.gz NVBRZCWBXFFHEN-RXMQYKEDSA-N 0 1 296.205 0.622 20 5 CCBDMN COC(=O)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000191860271 130319210 /nfs/dbraw/zinc/31/92/10/130319210.db2.gz UVJNDBNZPKCPJV-MNOVXSKESA-N 0 1 296.327 0.922 20 5 CCBDMN C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN1 ZINC000237529593 131038850 /nfs/dbraw/zinc/03/88/50/131038850.db2.gz CYVSHSBIXZNLQI-QMMMGPOBSA-N 0 1 289.295 0.905 20 5 CCBDMN C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1 ZINC000237647152 131050923 /nfs/dbraw/zinc/05/09/23/131050923.db2.gz XALIZXOOUCYDBT-QMMMGPOBSA-N 0 1 264.285 0.611 20 5 CCBDMN CC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000268787334 132065594 /nfs/dbraw/zinc/06/55/94/132065594.db2.gz WAEZYLPPKRGIAR-ZETCQYMHSA-N 0 1 295.299 0.319 20 5 CCBDMN O=C(NCC[NH+]1CCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356805024 144034938 /nfs/dbraw/zinc/03/49/38/144034938.db2.gz PNNYMOOLZDLHON-UHFFFAOYSA-N 0 1 265.269 0.736 20 5 CCBDMN C[C@@H]1[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000356907751 144043085 /nfs/dbraw/zinc/04/30/85/144043085.db2.gz UMILWWBQVKGMPK-ZJUUUORDSA-N 0 1 281.316 0.342 20 5 CCBDMN Cc1n[nH]c(C(=O)NC2(c3nnc[nH]3)CCC2)c1[N+](=O)[O-] ZINC000357009924 144050647 /nfs/dbraw/zinc/05/06/47/144050647.db2.gz KXMMJWMSVRFBNN-UHFFFAOYSA-N 0 1 291.271 0.554 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccncc2O)n1 ZINC000357917397 144133233 /nfs/dbraw/zinc/13/32/33/144133233.db2.gz XQXLIJHPBUUOLE-UHFFFAOYSA-N 0 1 263.213 0.103 20 5 CCBDMN COCC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCOCC1 ZINC000358868065 144184258 /nfs/dbraw/zinc/18/42/58/144184258.db2.gz YVGMFCFTOGMXDN-UHFFFAOYSA-N 0 1 298.299 0.491 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([C@H]2CCOC2)CC1 ZINC000371765408 144343072 /nfs/dbraw/zinc/34/30/72/144343072.db2.gz JHJOEMRIDGQFCG-QJPTWQEYSA-N 0 1 268.313 0.927 20 5 CCBDMN CS(=O)(=O)c1ccc(NCc2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000044931681 411633481 /nfs/dbraw/zinc/63/34/81/411633481.db2.gz GTXITVTYCSCWPE-UHFFFAOYSA-N 0 1 298.284 0.124 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1ccc([N+](=O)[O-])s1 ZINC000044929019 411633513 /nfs/dbraw/zinc/63/35/13/411633513.db2.gz VIFGXFZGJQCRPA-UHFFFAOYSA-N 0 1 254.231 0.099 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCOCC2(CC2)C1 ZINC000360099623 275044075 /nfs/dbraw/zinc/04/40/75/275044075.db2.gz UHHVIBVZCFTCAN-UHFFFAOYSA-N 0 1 293.323 0.869 20 5 CCBDMN CC[C@H]1COCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000408175683 281206859 /nfs/dbraw/zinc/20/68/59/281206859.db2.gz XFYIFIHFXZJBIL-QMMMGPOBSA-N 0 1 268.273 0.877 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC(CCO)C2)c1[N+](=O)[O-] ZINC000343056555 535320576 /nfs/dbraw/zinc/32/05/76/535320576.db2.gz UZDLLQQJLWTXSX-UHFFFAOYSA-N 0 1 282.300 0.896 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](O)C[C@H]2CO)c1[N+](=O)[O-] ZINC000347733439 535320740 /nfs/dbraw/zinc/32/07/40/535320740.db2.gz OILZDQCOZPYJQJ-JGVFFNPUSA-N 0 1 298.299 0.009 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)CO)c1[N+](=O)[O-] ZINC000344880818 535321175 /nfs/dbraw/zinc/32/11/75/535321175.db2.gz UZFOPGBCTDJVMC-SSDOTTSWSA-N 0 1 270.289 0.894 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408382278 536001466 /nfs/dbraw/zinc/00/14/66/536001466.db2.gz QJPPAUCOUOEMLP-VXNVDRBHSA-N 0 1 282.300 0.723 20 5 CCBDMN COc1cc(CN[C@@H](C)CC(N)=O)c([N+](=O)[O-])cc1O ZINC000345829629 536804667 /nfs/dbraw/zinc/80/46/67/536804667.db2.gz JRKSVYXPXUIXRX-ZETCQYMHSA-N 0 1 283.284 0.663 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H]3C[C@@]3(CO)C2)c1[N+](=O)[O-] ZINC000783818697 581364950 /nfs/dbraw/zinc/36/49/50/581364950.db2.gz JJUDWBWUKDLPBE-HQJQHLMTSA-N 0 1 266.257 0.081 20 5 CCBDMN C[S@](=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000770416863 581742490 /nfs/dbraw/zinc/74/24/90/581742490.db2.gz IDBLSHAMIKKSJH-SFHVURJKSA-N 0 1 272.282 0.409 20 5 CCBDMN CC1(C)C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C(=O)O1 ZINC000765141970 581805322 /nfs/dbraw/zinc/80/53/22/581805322.db2.gz JXKZIEJQVCAZGS-YFKPBYRVSA-N 0 1 268.229 0.142 20 5 CCBDMN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1c[nH]nn1 ZINC000748416659 581974414 /nfs/dbraw/zinc/97/44/14/581974414.db2.gz HWVHQDFICYWWQN-UHFFFAOYSA-N 0 1 295.230 0.547 20 5 CCBDMN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000763893603 582019672 /nfs/dbraw/zinc/01/96/72/582019672.db2.gz XGLPXTUVGWEHOJ-UONOGXRCSA-N 0 1 296.323 0.711 20 5 CCBDMN CCN(CC(=O)NC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000768303432 582105460 /nfs/dbraw/zinc/10/54/60/582105460.db2.gz SKZHGTYREGTMFG-UHFFFAOYSA-N 0 1 267.285 0.868 20 5 CCBDMN O=C([O-])N[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000834189708 605650264 /nfs/dbraw/zinc/65/02/64/605650264.db2.gz OIRMBZPIWUOTAR-SECBINFHSA-N 0 1 296.283 0.098 20 5 CCBDMN COc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnc1OC ZINC000862723843 617205701 /nfs/dbraw/zinc/20/57/01/617205701.db2.gz ZCGYUKHDOXBZDP-HTQZYQBOSA-N 0 1 267.241 0.703 20 5 CCBDMN CC(C)[C@@H](N)c1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000843148479 614119533 /nfs/dbraw/zinc/11/95/33/614119533.db2.gz STAMBXRZVMFAMB-SECBINFHSA-N 0 1 266.261 0.878 20 5 CCBDMN CC(C)(C)N1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000856098967 613944549 /nfs/dbraw/zinc/94/45/49/613944549.db2.gz WXRXQJMJMLHVKV-OPRDCNLKSA-N 0 1 283.328 0.415 20 5 CCBDMN CC(C)OC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839680603 613993124 /nfs/dbraw/zinc/99/31/24/613993124.db2.gz KAPHNTSBFCQMEN-GHMZBOCLSA-N 0 1 299.327 0.777 20 5 CCBDMN CC(C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnn(C)c1 ZINC000885416558 614126302 /nfs/dbraw/zinc/12/63/02/614126302.db2.gz FZOFZHXBYISCOS-GMTAPVOTSA-N 0 1 266.301 0.899 20 5 CCBDMN CC(C)(C[C@H]1CCCN(CC[N+](=O)[O-])C1)C(N)=O ZINC000930604067 614127494 /nfs/dbraw/zinc/12/74/94/614127494.db2.gz PNYWSEJMOPIWKA-SNVBAGLBSA-N 0 1 257.334 0.877 20 5 CCBDMN CC(C)COC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842347041 614159656 /nfs/dbraw/zinc/15/96/56/614159656.db2.gz CNCLZRZTUYQOOS-IWSPIJDZSA-N 0 1 259.258 0.783 20 5 CCBDMN CC(=O)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])nc1C ZINC000839714641 614253016 /nfs/dbraw/zinc/25/30/16/614253016.db2.gz MCIRVHQELCAMHK-VXGBXAGGSA-N 0 1 277.280 0.874 20 5 CCBDMN CC(C)c1nc(COC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC000840672781 614321413 /nfs/dbraw/zinc/32/14/13/614321413.db2.gz NZLHZPTZHCCVHP-RNFRBKRXSA-N 0 1 255.230 0.901 20 5 CCBDMN CC(C)c1nccn1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839599487 614328263 /nfs/dbraw/zinc/32/82/63/614328263.db2.gz UCORJERCAJTRBL-NXEZZACHSA-N 0 1 266.301 0.788 20 5 CCBDMN CCC(=O)N1CC(N(CC)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000967949796 614498021 /nfs/dbraw/zinc/49/80/21/614498021.db2.gz KLKOIZIIHBUWDC-NXEZZACHSA-N 0 1 269.301 0.121 20 5 CCBDMN CCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000967948807 614725506 /nfs/dbraw/zinc/72/55/06/614725506.db2.gz ANRZBVCFGDAICW-GHMZBOCLSA-N 0 1 283.328 0.511 20 5 CCBDMN CCCC(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000948664017 614732948 /nfs/dbraw/zinc/73/29/48/614732948.db2.gz COHDMCAGPDRBSJ-VXGBXAGGSA-N 0 1 297.355 0.807 20 5 CCBDMN CC1(C)[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000880489311 614852218 /nfs/dbraw/zinc/85/22/18/614852218.db2.gz SEUAHKVLMYDASP-WYUUTHIRSA-N 0 1 297.355 0.267 20 5 CCBDMN CC1(C)[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000880489308 614863536 /nfs/dbraw/zinc/86/35/36/614863536.db2.gz SEUAHKVLMYDASP-DDHJBXDOSA-N 0 1 297.355 0.267 20 5 CCBDMN CC1(C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)OCCO1 ZINC000839701430 614873538 /nfs/dbraw/zinc/87/35/38/614873538.db2.gz XEKODSROUYEZTP-GHMZBOCLSA-N 0 1 284.312 0.653 20 5 CCBDMN CC1=NO[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000854800482 614988818 /nfs/dbraw/zinc/98/88/18/614988818.db2.gz UUWLWJVKPXWJTQ-ZCFIWIBFSA-N 0 1 253.218 0.213 20 5 CCBDMN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122202025 615523790 /nfs/dbraw/zinc/52/37/90/615523790.db2.gz ZXSBBIMCUGEBSR-SSDOTTSWSA-N 0 1 291.304 0.750 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2(C)CC2)C1 ZINC000954242467 615867305 /nfs/dbraw/zinc/86/73/05/615867305.db2.gz QVRVSEAJYSWOFZ-NXEZZACHSA-N 0 1 281.312 0.121 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2=CCCC2)C1 ZINC000954239732 615867331 /nfs/dbraw/zinc/86/73/31/615867331.db2.gz FTNZIOICJVFMCI-VXGBXAGGSA-N 0 1 293.323 0.431 20 5 CCBDMN CC[C@H]1C(=O)N(CC)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839730484 615869219 /nfs/dbraw/zinc/86/92/19/615869219.db2.gz JHZOAGWMTGYZSY-KXUCPTDWSA-N 0 1 269.301 0.121 20 5 CCBDMN CN(C)CCN(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119914314 615893906 /nfs/dbraw/zinc/89/39/06/615893906.db2.gz SULVAYZROALPJC-UHFFFAOYSA-N 0 1 293.370 0.838 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)OCc2n[nH]c(C)n2)n1 ZINC000755818642 616015115 /nfs/dbraw/zinc/01/51/15/616015115.db2.gz OOUJHAUVPIHTHE-UHFFFAOYSA-N 0 1 280.244 0.595 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000857291902 616108892 /nfs/dbraw/zinc/10/88/92/616108892.db2.gz QAINKRGFDREHDR-UHFFFAOYSA-N 0 1 272.261 0.569 20 5 CCBDMN CN1CCC[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825732471 616190252 /nfs/dbraw/zinc/19/02/52/616190252.db2.gz WJOKUFNZZDBQQD-YPMHNXCESA-N 0 1 293.323 0.839 20 5 CCBDMN COC(=O)[C@@H]1CCN(CC[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000931263700 616306724 /nfs/dbraw/zinc/30/67/24/616306724.db2.gz UXENEYCTTPQLAE-GMTAPVOTSA-N 0 1 256.302 0.927 20 5 CCBDMN COC(=O)C1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCSCC1 ZINC000840404749 616370323 /nfs/dbraw/zinc/37/03/23/616370323.db2.gz FNYRVPDLEIDZAO-HTQZYQBOSA-N 0 1 288.325 0.207 20 5 CCBDMN CNC(=O)C1(NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000887082842 616550446 /nfs/dbraw/zinc/55/04/46/616550446.db2.gz HXAJSUVRAUOLIG-UHFFFAOYSA-N 0 1 293.323 0.980 20 5 CCBDMN COC(=O)c1ccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839488593 616897602 /nfs/dbraw/zinc/89/76/02/616897602.db2.gz QQSMWPBUHSSTEL-VXGBXAGGSA-N 0 1 292.291 0.797 20 5 CCBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc[nH]c1 ZINC000974116330 625406617 /nfs/dbraw/zinc/40/66/17/625406617.db2.gz KAWOJDIFCNQWDY-LMLFDSFASA-N 0 1 292.295 0.057 20 5 CCBDMN NC(=O)[C@@]1(c2ccccc2)CCN(CC[N+](=O)[O-])C1 ZINC000930716853 625421040 /nfs/dbraw/zinc/42/10/40/625421040.db2.gz HDUOFOGJSRRHCL-ZDUSSCGKSA-N 0 1 263.297 0.392 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H]2CO)cc1 ZINC000934017903 625004294 /nfs/dbraw/zinc/00/42/94/625004294.db2.gz TXNDJVLRGRTNAY-NWDGAFQWSA-N 0 1 252.270 0.695 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CC(N2CCCC2)C1 ZINC000894517699 631783876 /nfs/dbraw/zinc/78/38/76/631783876.db2.gz OKSFLIBVGZOTKE-UHFFFAOYSA-N 0 1 251.290 0.613 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000928443125 631849557 /nfs/dbraw/zinc/84/95/57/631849557.db2.gz CVALWOYXWADYHV-IUCAKERBSA-N 0 1 281.316 0.459 20 5 CCBDMN C[C@H](Nc1c([N+](=O)[O-])ncn1C)[C@@H]1C[N@@H+](C)CCN1C ZINC000895249460 632034408 /nfs/dbraw/zinc/03/44/08/632034408.db2.gz TXGSFQCZEGWUMB-UWVGGRQHSA-N 0 1 282.348 0.375 20 5 CCBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CN(C)CCN1C ZINC000900800069 634104813 /nfs/dbraw/zinc/10/48/13/634104813.db2.gz AXGGVGZJFOHOHY-MWLCHTKSSA-N 0 1 295.343 0.287 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000912379936 636560661 /nfs/dbraw/zinc/56/06/61/636560661.db2.gz XUDDKXYCMSPHBF-CYBMUJFWSA-N 0 1 293.327 0.542 20 5 CCBDMN O=C(/C=C/C1CC1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010885606 650277455 /nfs/dbraw/zinc/27/74/55/650277455.db2.gz WEXSTUJLJJLHHF-BLDJZWNYSA-N 0 1 293.323 0.289 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])Cc2c[nH]nc21 ZINC000913583501 637311816 /nfs/dbraw/zinc/31/18/16/637311816.db2.gz OBIQGULYQZDJGY-FTLITQJKSA-N 0 1 250.258 0.521 20 5 CCBDMN O=C(COc1ccc([N+](=O)[O-])cc1)NC12CCN(CC1)C2 ZINC000913625353 637386700 /nfs/dbraw/zinc/38/67/00/637386700.db2.gz LETXSGDJBFJLKL-UHFFFAOYSA-N 0 1 291.307 0.938 20 5 CCBDMN Cn1ncc2c1CCC[C@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839517747 640316262 /nfs/dbraw/zinc/31/62/62/640316262.db2.gz VPVKOFHUAIUIFF-BCMRRPTOSA-N 0 1 264.285 0.579 20 5 CCBDMN O=C(NCc1ccc2c(c1)CCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000839624648 640346459 /nfs/dbraw/zinc/34/64/59/640346459.db2.gz HFHAQXXXKHWSCE-GHMZBOCLSA-N 0 1 262.265 0.903 20 5 CCBDMN O=C(NC[C@@H](CO)Cc1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839691468 640349185 /nfs/dbraw/zinc/34/91/85/640349185.db2.gz NKSZQVMGFRVQOI-CYZMBNFOSA-N 0 1 296.298 0.758 20 5 CCBDMN O=C(NC[C@@H](O)c1c(F)cccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000839694724 640351200 /nfs/dbraw/zinc/35/12/00/640351200.db2.gz XSMWUOXJBHAZNT-BDODKLCJSA-N 0 1 286.234 0.780 20 5 CCBDMN O=C(Nc1cnn(CC(F)F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839682975 640354373 /nfs/dbraw/zinc/35/43/73/640354373.db2.gz AHYJZPUPMSUDPG-RNFRBKRXSA-N 0 1 260.200 0.752 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](OCc2ccccn2)C1 ZINC000839704287 640355228 /nfs/dbraw/zinc/35/52/28/640355228.db2.gz VFNAHOJCGGYBAK-YNEHKIRRSA-N 0 1 291.307 0.864 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000839707332 640356109 /nfs/dbraw/zinc/35/61/09/640356109.db2.gz CVUCDRJRIJVFMZ-WCTZXXKLSA-N 0 1 282.218 0.566 20 5 CCBDMN Cc1ccccc1[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839723315 640358255 /nfs/dbraw/zinc/35/82/55/640358255.db2.gz HNTNYEWWZNJPAO-IJLUTSLNSA-N 0 1 264.281 0.810 20 5 CCBDMN Cc1nn(C)c(C)c1CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839719707 640358438 /nfs/dbraw/zinc/35/84/38/640358438.db2.gz XVKPMGVYFIUDPK-VXGBXAGGSA-N 0 1 280.328 0.751 20 5 CCBDMN O=C(N[C@H](CO)c1c(F)cccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000839725535 640358450 /nfs/dbraw/zinc/35/84/50/640358450.db2.gz SGXGHLUCQHIGPB-BDODKLCJSA-N 0 1 286.234 0.780 20 5 CCBDMN Cn1nccc1[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839758810 640362771 /nfs/dbraw/zinc/36/27/71/640362771.db2.gz DPNMAUVWBUOKCV-HOSYDEDBSA-N 0 1 278.312 0.791 20 5 CCBDMN O=C(OCC[C@H]1CCNC1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000813920808 641049563 /nfs/dbraw/zinc/04/95/63/641049563.db2.gz FLKWEUAWFIIOGM-SSDOTTSWSA-N 0 1 267.241 0.606 20 5 CCBDMN C[C@H](C[N+](=O)[O-])OC(=O)CCCCc1cn[nH]n1 ZINC000814050396 641055618 /nfs/dbraw/zinc/05/56/18/641055618.db2.gz WXKHOVIQERLDOJ-MRVPVSSYSA-N 0 1 256.262 0.726 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](n2ccnn2)C1 ZINC000819639142 641422322 /nfs/dbraw/zinc/42/23/22/641422322.db2.gz CQHNDVBJPXQAJQ-IVZWLZJFSA-N 0 1 265.273 0.107 20 5 CCBDMN O=C(N[C@@H]1COc2ccccc2C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840405269 641519407 /nfs/dbraw/zinc/51/94/07/641519407.db2.gz MCIPASPQUAVSJV-OPRDCNLKSA-N 0 1 276.248 0.412 20 5 CCBDMN COc1ccc([C@H](CO)N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840411205 641571123 /nfs/dbraw/zinc/57/11/23/641571123.db2.gz GJKCTEAVMGGSDW-UPJWGTAASA-N 0 1 294.307 0.852 20 5 CCBDMN O=C(NC1(C(=O)Nc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840426725 641575556 /nfs/dbraw/zinc/57/55/56/641575556.db2.gz VKRXWBRZWJJMNF-GHMZBOCLSA-N 0 1 289.291 0.939 20 5 CCBDMN O=C(O[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840674945 642786005 /nfs/dbraw/zinc/78/60/05/642786005.db2.gz TTYOJPDOWDVCLX-VPJKUYQRSA-N 0 1 282.296 0.642 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844451253 643218006 /nfs/dbraw/zinc/21/80/06/643218006.db2.gz NSUXVVJHMLDYLQ-BBBLOLIVSA-N 0 1 288.254 0.349 20 5 CCBDMN O=C(NCCc1ccc(=O)[nH]c1)[C@@H]1CC1[N+](=O)[O-] ZINC000848067038 643582839 /nfs/dbraw/zinc/58/28/39/643582839.db2.gz SUGSCMDYFXPLHO-RKDXNWHRSA-N 0 1 251.242 0.111 20 5 CCBDMN O=C(NCc1ccc2nc[nH]c2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854812524 644262476 /nfs/dbraw/zinc/26/24/76/644262476.db2.gz VYGNCVSJCUFBOZ-LDYMZIIASA-N 0 1 260.253 0.844 20 5 CCBDMN CC(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001018794403 650908325 /nfs/dbraw/zinc/90/83/25/650908325.db2.gz BYSAOTPZMIJVID-GHMZBOCLSA-N 0 1 295.339 0.369 20 5 CCBDMN O=C(NC[C@H]1CCCN1CC(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000862695059 645021895 /nfs/dbraw/zinc/02/18/95/645021895.db2.gz KWJMIEOUOODVOU-IWSPIJDZSA-N 0 1 277.271 0.497 20 5 CCBDMN Cc1ccccc1C(=O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869551265 645902319 /nfs/dbraw/zinc/90/23/19/645902319.db2.gz PWNUQVNMHQJQCN-GHMZBOCLSA-N 0 1 262.265 0.959 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCc3ncncc3C2)c1 ZINC000880595406 647238695 /nfs/dbraw/zinc/23/86/95/647238695.db2.gz QKUORBFIZQSCDI-UHFFFAOYSA-N 0 1 274.284 0.640 20 5 CCBDMN O=C(NC[C@H]1CCC2(CCOCC2)CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000881555788 647325233 /nfs/dbraw/zinc/32/52/33/647325233.db2.gz FPTGOKFCBPBKBT-IJLUTSLNSA-N 0 1 298.339 0.744 20 5 CCBDMN Cc1ncc([N+](=O)[O-])c(N2C[C@H]3OCCN(C)[C@@H]3C2)n1 ZINC001164668786 719389249 /nfs/dbraw/zinc/38/92/49/719389249.db2.gz RXPIZPXVROMYCO-GHMZBOCLSA-N 0 1 279.300 0.212 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(OC[C@H]2COCCO2)n1 ZINC001231259918 805764027 /nfs/dbraw/zinc/76/40/27/805764027.db2.gz QECRBWZOYOTCAC-MRVPVSSYSA-N 0 1 270.241 0.798 20 5 CCBDMN C[C@H](c1nnc(N2CCN(C)C(C)(C)C2)n1C)[N+](=O)[O-] ZINC001121298486 799029169 /nfs/dbraw/zinc/02/91/69/799029169.db2.gz WYYUJQOKAKWIAD-SECBINFHSA-N 0 1 282.348 0.683 20 5 CCBDMN COc1nc(N[C@H]2CCN(C)C2)nc(OC)c1[N+](=O)[O-] ZINC001156580252 801190335 /nfs/dbraw/zinc/19/03/35/801190335.db2.gz JBCRUMGZHXCZNE-ZETCQYMHSA-N 0 1 283.288 0.518 20 5 CCBDMN COc1cnc(-n2c(C)cnc2CN)c([N+](=O)[O-])c1 ZINC001158164540 801579696 /nfs/dbraw/zinc/57/96/96/801579696.db2.gz LJTSJDSZDVIQFQ-UHFFFAOYSA-N 0 1 263.257 0.951 20 5 CCBDMN COc1cc(C)nc(NC[C@H]2COCCN2)c1[N+](=O)[O-] ZINC001159043939 801748077 /nfs/dbraw/zinc/74/80/77/801748077.db2.gz YTKOYOMCCHBXKQ-VIFPVBQESA-N 0 1 282.300 0.707 20 5 CCBDMN Cc1nc(NC[C@H](C)N2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001162431095 802339799 /nfs/dbraw/zinc/33/97/99/802339799.db2.gz POVFQLFBCQWAIU-JTQLQIEISA-N 0 1 294.359 0.741 20 5 CCBDMN COC(=O)c1cnc(-n2c(C)nnc2CN)c([N+](=O)[O-])c1 ZINC001163346634 802539261 /nfs/dbraw/zinc/53/92/61/802539261.db2.gz RAVDAROVIKMNMP-UHFFFAOYSA-N 0 1 292.255 0.124 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])cnc1-n1c(C)nnc1CN ZINC001163346416 802539507 /nfs/dbraw/zinc/53/95/07/802539507.db2.gz PBQVLVGLPMCKTP-UHFFFAOYSA-N 0 1 292.255 0.124 20 5 CCBDMN COC(=O)[C@H]1CNCCN1c1ncc(F)cc1[N+](=O)[O-] ZINC001165437589 802841319 /nfs/dbraw/zinc/84/13/19/802841319.db2.gz UHNPDLDQJFOVLM-SECBINFHSA-N 0 1 284.247 0.080 20 5 CCBDMN COCc1nn(-c2cc(N)c([N+](=O)[O-])cn2)c2c1CNC2 ZINC001165632663 802857839 /nfs/dbraw/zinc/85/78/39/802857839.db2.gz ICDQDPHNDOGDDB-UHFFFAOYSA-N 0 1 290.283 0.507 20 5 CCBDMN COC(=O)[C@H](CCO)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001218217731 803939004 /nfs/dbraw/zinc/93/90/04/803939004.db2.gz YCLUKMXLWXGGDV-VIFPVBQESA-N 0 1 271.225 0.603 20 5 CCBDMN COC(=O)[C@H](CCO)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001218221132 803941306 /nfs/dbraw/zinc/94/13/06/803941306.db2.gz WZGAMIUPXRCVAN-QMMMGPOBSA-N 0 1 286.240 0.307 20 5 CCBDMN O=c1nc2cc([N+](=O)[O-])ccc2c(OC[C@@H]2COCO2)[nH]1 ZINC001228243472 805424630 /nfs/dbraw/zinc/42/46/30/805424630.db2.gz YZNDSOQNPQEWGM-QMMMGPOBSA-N 0 1 293.235 0.995 20 5 CCBDMN O=c1[nH]c(=O)c(F)c(O[C@H](C[N+](=O)[O-])c2cccnc2)[nH]1 ZINC001229126136 805504687 /nfs/dbraw/zinc/50/46/87/805504687.db2.gz WGYXHJQEBBHTCC-SSDOTTSWSA-N 0 1 296.214 0.819 20 5 CCBDMN Cc1nc(OC[C@@H]2COC(=O)O2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382311 805526922 /nfs/dbraw/zinc/52/69/22/805526922.db2.gz RJYJPPFMYIWBHO-RXMQYKEDSA-N 0 1 271.185 0.313 20 5 CCBDMN O=[N+]([O-])c1c[n+]([O-])ccc1O[C@H]1CN2CCC1CC2 ZINC001229452822 805536023 /nfs/dbraw/zinc/53/60/23/805536023.db2.gz WXXNYVIWRAQYPW-LBPRGKRZSA-N 0 1 265.269 0.701 20 5 CCBDMN C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001278754540 808168013 /nfs/dbraw/zinc/16/80/13/808168013.db2.gz IHCBNWIEGKJLCY-HOTMZDKISA-N 0 1 269.301 0.153 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ncn(C(C)(C)C)n2)n1 ZINC001254564286 808259610 /nfs/dbraw/zinc/25/96/10/808259610.db2.gz FBDMZBPEJYCMJT-UHFFFAOYSA-N 0 1 293.287 0.927 20 5 CCBDMN CO[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC001261748031 809075991 /nfs/dbraw/zinc/07/59/91/809075991.db2.gz FIODMMDBPBWQCF-CBAPKCEASA-N 0 1 284.272 0.099 20 5 CCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cscn1 ZINC001265843194 809872501 /nfs/dbraw/zinc/87/25/01/809872501.db2.gz WQLLCUOVIFEWEM-GHMZBOCLSA-N 0 1 298.368 0.746 20 5 CCBDMN CC(C)n1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126938743 815331320 /nfs/dbraw/zinc/33/13/20/815331320.db2.gz JDTXKEAELUIRIZ-VXGBXAGGSA-N 0 1 295.343 0.335 20 5 CCBDMN COc1cnc(-n2c(C)ncc(CN)c2=N)cc1[N+](=O)[O-] ZINC001167671878 811116082 /nfs/dbraw/zinc/11/60/82/811116082.db2.gz DGCJSMCRCUQYCX-UHFFFAOYSA-N 0 1 290.283 0.431 20 5 CCBDMN C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2nccn21 ZINC001272652256 816939296 /nfs/dbraw/zinc/93/92/96/816939296.db2.gz VRADSYGRJFGTEE-UYXSQOIJSA-N 0 1 250.258 0.670 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702040072 819046306 /nfs/dbraw/zinc/04/63/06/819046306.db2.gz VMYVBWJRVPAKTC-SECBINFHSA-N 0 1 299.714 0.966 20 5 CCBDMN Cc1c([N+](=O)[O-])cc(F)cc1-n1nnnc1CN ZINC001168920389 836054151 /nfs/dbraw/zinc/05/41/51/836054151.db2.gz PCFGSXKCRYGWHV-UHFFFAOYSA-N 0 1 252.209 0.477 20 5 CCBDMN Cc1cnc(CN)n1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001169030641 836107169 /nfs/dbraw/zinc/10/71/69/836107169.db2.gz GITZQLARCXWSAA-UHFFFAOYSA-N 0 1 287.279 0.791 20 5 CCBDMN COC(=O)C[C@H]1COCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035488 836110267 /nfs/dbraw/zinc/11/02/67/836110267.db2.gz BLOPGOZOHVUFCG-TUAOUCFPSA-N 0 1 286.328 0.696 20 5 CCBDMN CS(=O)(=O)[C@@H]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037973 836112063 /nfs/dbraw/zinc/11/20/63/836112063.db2.gz UOHJAVVLEHROHY-GMTAPVOTSA-N 0 1 276.358 0.551 20 5 CCBDMN O=C(C1CC1)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169023826 836115198 /nfs/dbraw/zinc/11/51/98/836115198.db2.gz FOUMAVBLYRNLRK-DGCLKSJQSA-N 0 1 281.356 0.986 20 5 CCBDMN Cc1c(F)cnc(NC[C@H]2COCCN2)c1[N+](=O)[O-] ZINC001170035794 836755220 /nfs/dbraw/zinc/75/52/20/836755220.db2.gz PKYDZERIZBJXTH-QMMMGPOBSA-N 0 1 270.264 0.838 20 5 CCBDMN O=C1NCc2c1c([N+](=O)[O-])ccc2NC[C@H]1COCCN1 ZINC001170046627 836789203 /nfs/dbraw/zinc/78/92/03/836789203.db2.gz FJUYCJFEOVFFSZ-QMMMGPOBSA-N 0 1 292.295 0.239 20 5 CCBDMN COC(=O)c1ccnc(NCc2nnc[nH]2)c1[N+](=O)[O-] ZINC001185045900 844334615 /nfs/dbraw/zinc/33/46/15/844334615.db2.gz ABNBUNZKYKOLIE-UHFFFAOYSA-N 0 1 278.228 0.507 20 5 CCBDMN Cc1nc([C@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001133527988 838663611 /nfs/dbraw/zinc/66/36/11/838663611.db2.gz UGEQYAAVHRQWDT-DJLDLDEBSA-N 0 1 266.257 0.359 20 5 CCBDMN Cc1nc(NC[C@H]2COCCN2)ncc1[N+](=O)[O-] ZINC001159047288 838845454 /nfs/dbraw/zinc/84/54/54/838845454.db2.gz ROPVBXNHHNXMPL-QMMMGPOBSA-N 0 1 253.262 0.094 20 5 CCBDMN CN(CCC[NH+]1CCN(C)CC1)c1nn(C)cc1[N+](=O)[O-] ZINC001185405138 844413877 /nfs/dbraw/zinc/41/38/77/844413877.db2.gz YUIKKIFBTYZVSN-UHFFFAOYSA-N 0 1 296.375 0.402 20 5 CCBDMN CC[C@@](N)(CO)Nc1ccc(OC)c([N+](=O)[O-])n1 ZINC001170859694 839441170 /nfs/dbraw/zinc/44/11/70/839441170.db2.gz QVLOIRHMQOOOHP-JTQLQIEISA-N 0 1 256.262 0.468 20 5 CCBDMN O=C(NCCNc1ncc([N+](=O)[O-])cc1F)c1cnn[nH]1 ZINC001094256731 841591076 /nfs/dbraw/zinc/59/10/76/841591076.db2.gz GPDYVKZAEJKRPL-UHFFFAOYSA-N 0 1 295.234 0.089 20 5 CCBDMN O=C(N[C@H]1C[C@@H](CO)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001171590722 841734994 /nfs/dbraw/zinc/73/49/94/841734994.db2.gz TYUSAEHWMKLODG-OTSSQURYSA-N 0 1 266.253 0.801 20 5 CCBDMN CCc1ncc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)[nH]1 ZINC001178662755 842894511 /nfs/dbraw/zinc/89/45/11/842894511.db2.gz YQFIWSHNUCCEGP-UHFFFAOYSA-N 0 1 278.272 0.393 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C(=O)[O-] ZINC001118951560 856506742 /nfs/dbraw/zinc/50/67/42/856506742.db2.gz GQQWKNWCDXWAFU-MWLCHTKSSA-N 0 1 282.300 0.834 20 5 CCBDMN C/C=C(\C)C(=O)N(CC)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001294449236 900257647 /nfs/dbraw/zinc/25/76/47/900257647.db2.gz VNSWHYZARRUQLW-LGSVWZNTSA-N 0 1 297.355 0.973 20 5 CCBDMN O=C([O-])C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001327361514 914498553 /nfs/dbraw/zinc/49/85/53/914498553.db2.gz YPEJEBCHHMLRSY-SECBINFHSA-N 0 1 268.273 0.730 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccncc2)n1 ZINC001309001362 901263299 /nfs/dbraw/zinc/26/32/99/901263299.db2.gz NJOUDHZYZKDQOT-UHFFFAOYSA-N 0 1 297.296 0.202 20 5 CCBDMN CCc1occc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491263520 903475008 /nfs/dbraw/zinc/47/50/08/903475008.db2.gz AFFBDSHSAJFBOY-NXEZZACHSA-N 0 1 295.295 0.353 20 5 CCBDMN CC(C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-])=C1CCC1 ZINC001284521801 905356975 /nfs/dbraw/zinc/35/69/75/905356975.db2.gz LIQHILFFJNRFMH-VXGBXAGGSA-N 0 1 295.339 0.727 20 5 CCBDMN CC(C)(F)C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298216217 907183838 /nfs/dbraw/zinc/18/38/38/907183838.db2.gz DRWSTHMDTQOCGE-UREXNXCXSA-N 0 1 287.291 0.188 20 5 CCBDMN COC[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC001304005545 908132766 /nfs/dbraw/zinc/13/27/66/908132766.db2.gz LJUSQGYXIAZAIZ-MRVPVSSYSA-N 0 1 270.289 0.966 20 5 CCBDMN COc1cn(C)nc1[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001304058512 908136918 /nfs/dbraw/zinc/13/69/18/908136918.db2.gz DRGOSTCGWPBXRG-XLPZGREQSA-N 0 1 268.273 0.271 20 5 CCBDMN C[C@@H](Nc1nn(C)cc1[N+](=O)[O-])C1N=NC(=O)N1C ZINC001307155006 908288027 /nfs/dbraw/zinc/28/80/27/908288027.db2.gz IQPJFLGPCIOYLE-RXMQYKEDSA-N 0 1 267.249 0.336 20 5 CCBDMN CCN1CC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001307194378 908293425 /nfs/dbraw/zinc/29/34/25/908293425.db2.gz GCMOCJQPZKBXIR-QMMMGPOBSA-N 0 1 279.300 0.595 20 5 CCBDMN O=C(c1cnc[nH]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001320959600 910957321 /nfs/dbraw/zinc/95/73/21/910957321.db2.gz RVNCSPNKSFENNP-UHFFFAOYSA-N 0 1 290.283 0.992 20 5 CCBDMN Cc1nc([C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC001322527664 911844680 /nfs/dbraw/zinc/84/46/80/911844680.db2.gz DSWJNOLWVNFVRC-ZCFIWIBFSA-N 0 1 279.260 0.095 20 5 CCBDMN O=C(NCCOC[C@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001323163413 912145263 /nfs/dbraw/zinc/14/52/63/912145263.db2.gz GKNPHUDKQXSMCF-QMMMGPOBSA-N 0 1 284.272 0.101 20 5 CCBDMN COCCNC(=O)[C@H](CC(C)C)NCC[N+](=O)[O-] ZINC001336015450 920563619 /nfs/dbraw/zinc/56/36/19/920563619.db2.gz CLWCLKKABQHEGS-JTQLQIEISA-N 0 1 261.322 0.030 20 5 CCBDMN NC(=O)[C@@H](CNCC[N+](=O)[O-])Cc1ccccc1Cl ZINC001336752871 920980128 /nfs/dbraw/zinc/98/01/28/920980128.db2.gz BDYVJUHTVQOHSD-SNVBAGLBSA-N 0 1 285.731 0.850 20 5 CCBDMN O=C(O[C@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001343397361 923300674 /nfs/dbraw/zinc/30/06/74/923300674.db2.gz VANYWRIBFAKJQY-BTQIBKBOSA-N 0 1 271.269 0.533 20 5 CCBDMN CC(C)(COC(=O)[C@@H]1CC1[N+](=O)[O-])n1ccnc1 ZINC001344112876 923552686 /nfs/dbraw/zinc/55/26/86/923552686.db2.gz YDYMABOCMARPII-RKDXNWHRSA-N 0 1 253.258 0.827 20 5 CCBDMN COC[C@@H]1CNCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001345645328 923937310 /nfs/dbraw/zinc/93/73/10/923937310.db2.gz BKCIVVLULLRRSY-LBPRGKRZSA-N 0 1 293.323 0.584 20 5 CCBDMN C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(=O)[O-] ZINC001345945100 924020563 /nfs/dbraw/zinc/02/05/63/924020563.db2.gz RHXLZTJEPYIXRH-GXSJLCMTSA-N 0 1 282.300 0.834 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CCc3nc[nH]c3C2)n1 ZINC001348319393 924650534 /nfs/dbraw/zinc/65/05/34/924650534.db2.gz HUTFGIKLXAGKNE-UHFFFAOYSA-N 0 1 276.256 0.250 20 5 CCBDMN O=C(NCCNC(=O)C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001348369791 924667671 /nfs/dbraw/zinc/66/76/71/924667671.db2.gz QRZCEFFYZVWMDE-GHMZBOCLSA-N 0 1 283.328 0.464 20 5 CCBDMN O=C(NCCNC(=O)C1(F)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001348934937 924846737 /nfs/dbraw/zinc/84/67/37/924846737.db2.gz CDRZTLIADNGFHD-RKDXNWHRSA-N 0 1 287.291 0.166 20 5 CCBDMN O=C(NC1([C@H]2CCCO2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001353431799 925833406 /nfs/dbraw/zinc/83/34/06/925833406.db2.gz CKZOWJVBNIQPPU-OPRDCNLKSA-N 0 1 254.286 0.870 20 5 CCBDMN C[C@@H](NC(=O)[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001354829747 926171743 /nfs/dbraw/zinc/17/17/43/926171743.db2.gz LTTXRBWHUZMBQH-BXKDBHETSA-N 0 1 279.296 0.760 20 5 CCBDMN COc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1NC(N)=O ZINC001448811514 930992549 /nfs/dbraw/zinc/99/25/49/930992549.db2.gz LCNGUPKKOGEBAM-VXNVDRBHSA-N 0 1 294.267 0.790 20 5 CCBDMN Cn1cc(C[N@@H+](CC(=O)[O-])C2CCOCC2)c([N+](=O)[O-])n1 ZINC001594543203 955671750 /nfs/dbraw/zinc/67/17/50/955671750.db2.gz SVNJXSOETIGECN-UHFFFAOYSA-N 0 1 298.299 0.394 20 5 CCBDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001594219193 959354403 /nfs/dbraw/zinc/35/44/03/959354403.db2.gz GTJBFQMFLSUHNR-DVVUODLYSA-N 0 1 298.299 0.090 20 5 CCBDMN CC[C@H](C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)[O-] ZINC001594985221 982798290 /nfs/dbraw/zinc/79/82/90/982798290.db2.gz KFTWFEGATLASBF-JTQLQIEISA-N 0 1 297.311 0.942 20 5 CCBDMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC001594167373 998645406 /nfs/dbraw/zinc/64/54/06/998645406.db2.gz PDEKUZDIDXAMSQ-IONNQARKSA-N 0 1 268.273 0.623 20 5 CCBDMN NC(=O)N1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092753950 349504654 /nfs/dbraw/zinc/50/46/54/349504654.db2.gz GOHHIYBGNPPWKR-UHFFFAOYSA-N 0 1 294.311 0.887 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3nc[nH]c3C2)n1 ZINC000599951609 361841517 /nfs/dbraw/zinc/84/15/17/361841517.db2.gz GAYSPZNGGCVYOF-UHFFFAOYSA-N 0 1 290.283 0.733 20 5 CCBDMN Cc1ncc(CNCCn2cc([N+](=O)[O-])cn2)o1 ZINC000600141637 361876440 /nfs/dbraw/zinc/87/64/40/361876440.db2.gz GQZSNJWGOJEXMO-UHFFFAOYSA-N 0 1 251.246 0.878 20 5 CCBDMN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1c[nH]nn1 ZINC000097011266 349623996 /nfs/dbraw/zinc/62/39/96/349623996.db2.gz PGXWNKBAVPVJGA-UHFFFAOYSA-N 0 1 290.283 0.831 20 5 CCBDMN CN1CCOC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600422129 361957489 /nfs/dbraw/zinc/95/74/89/361957489.db2.gz RMGOABXKNDMUBJ-NSHDSACASA-N 0 1 295.295 0.361 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCN(C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000192909584 529466020 /nfs/dbraw/zinc/46/60/20/529466020.db2.gz RDFPRTHGBSKYNA-SSDOTTSWSA-N 0 1 295.299 0.183 20 5 CCBDMN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000105790540 349724209 /nfs/dbraw/zinc/72/42/09/349724209.db2.gz HBEIUSZQWACNGT-WDEREUQCSA-N 0 1 280.328 0.881 20 5 CCBDMN Cc1cc(C(=O)NCCN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000600554208 362009192 /nfs/dbraw/zinc/00/91/92/362009192.db2.gz VSEUGUAUODESNS-GFCCVEGCSA-N 0 1 293.323 0.700 20 5 CCBDMN CNC(=O)C[C@@H](C)NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000449601495 529869448 /nfs/dbraw/zinc/86/94/48/529869448.db2.gz NCPDPTUUIGIXPK-MRVPVSSYSA-N 0 1 297.311 0.923 20 5 CCBDMN CN(Cc1cccnc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000119046838 349915998 /nfs/dbraw/zinc/91/59/98/349915998.db2.gz OYZRMYAXQYOIHP-CYBMUJFWSA-N 0 1 291.311 0.679 20 5 CCBDMN Cc1c(CNC(=O)[C@]2(C)CNCCO2)cccc1[N+](=O)[O-] ZINC000602499874 362645506 /nfs/dbraw/zinc/64/55/06/362645506.db2.gz UTBUOXOWTUWMHU-AWEZNQCLSA-N 0 1 293.323 0.898 20 5 CCBDMN O=[N+]([O-])c1ccc(CCN2CC(N3CC[C@@H](O)C3)C2)cc1 ZINC000602713215 362764722 /nfs/dbraw/zinc/76/47/22/362764722.db2.gz QVGAAKICEGBALO-OAHLLOKOSA-N 0 1 291.351 0.888 20 5 CCBDMN COC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000262195735 137030702 /nfs/dbraw/zinc/03/07/02/137030702.db2.gz CPYZWFXENIKWTC-LBPRGKRZSA-N 0 1 279.296 0.453 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343487346 137138326 /nfs/dbraw/zinc/13/83/26/137138326.db2.gz HZAWQBVBUQFWCS-NXEZZACHSA-N 0 1 295.343 0.849 20 5 CCBDMN Cn1c(C(=O)N=c2ncn(C(C)(C)C)[nH]2)ccc1[N+](=O)[O-] ZINC000344043809 137175015 /nfs/dbraw/zinc/17/50/15/137175015.db2.gz GPVZMIMIVUOXAQ-UHFFFAOYSA-N 0 1 292.299 0.954 20 5 CCBDMN CCc1nc(Cn2ccc(C)c([N+](=O)[O-])c2=O)n[nH]1 ZINC000344760636 137211876 /nfs/dbraw/zinc/21/18/76/137211876.db2.gz FIJVQZFPJJKMJR-UHFFFAOYSA-N 0 1 263.257 0.794 20 5 CCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1nnc[nH]1 ZINC000037920253 348218795 /nfs/dbraw/zinc/21/87/95/348218795.db2.gz CIEDTSOYKVLTBN-UHFFFAOYSA-N 0 1 261.241 0.572 20 5 CCBDMN C[C@]1(CO)C[C@@H](O)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000602909963 362882345 /nfs/dbraw/zinc/88/23/45/362882345.db2.gz WLSALBNODCZWRT-CHWSQXEVSA-N 0 1 266.297 0.912 20 5 CCBDMN O=C([O-])[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000043705001 348313319 /nfs/dbraw/zinc/31/33/19/348313319.db2.gz YNSCPFXHOJOZQE-LBPRGKRZSA-N 0 1 280.280 0.923 20 5 CCBDMN O=C([O-])[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000043705001 348313324 /nfs/dbraw/zinc/31/33/24/348313324.db2.gz YNSCPFXHOJOZQE-LBPRGKRZSA-N 0 1 280.280 0.923 20 5 CCBDMN CNC(=O)[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000346859961 137308985 /nfs/dbraw/zinc/30/89/85/137308985.db2.gz QPLVTFHXQKKKGE-ZCFIWIBFSA-N 0 1 267.241 0.165 20 5 CCBDMN CC[C@H](CO)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000078522807 349141830 /nfs/dbraw/zinc/14/18/30/349141830.db2.gz NVYZOEUTFZTCJX-LLVKDONJSA-N 0 1 280.328 0.883 20 5 CCBDMN COc1ccc(C(=O)NCCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000080577542 349219070 /nfs/dbraw/zinc/21/90/70/349219070.db2.gz RAZOXLICSOLEKE-UHFFFAOYSA-N 0 1 291.267 0.694 20 5 CCBDMN O=C(NCc1nnc[nH]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135014747 350382644 /nfs/dbraw/zinc/38/26/44/350382644.db2.gz VXWWCSBQHXHBON-UHFFFAOYSA-N 0 1 265.204 0.782 20 5 CCBDMN CC(C)N1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1=O ZINC000159013934 350666311 /nfs/dbraw/zinc/66/63/11/350666311.db2.gz ANJLFOODKIYIRQ-ZETCQYMHSA-N 0 1 281.272 0.057 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000171369307 350903539 /nfs/dbraw/zinc/90/35/39/350903539.db2.gz NNWGLZZLGRVKTN-SSDOTTSWSA-N 0 1 268.273 0.741 20 5 CCBDMN CCc1n[nH]c(C(=O)N2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000171805856 350935917 /nfs/dbraw/zinc/93/59/17/350935917.db2.gz WLLUCHBSPAAIBC-UHFFFAOYSA-N 0 1 293.327 0.801 20 5 CCBDMN CNC(=O)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174857253 351108087 /nfs/dbraw/zinc/10/80/87/351108087.db2.gz LPYMWWSDHPINCL-JTQLQIEISA-N 0 1 281.316 0.249 20 5 CCBDMN CCc1nnc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)[nH]1 ZINC000123084133 187070326 /nfs/dbraw/zinc/07/03/26/187070326.db2.gz SQHGHTSCOVMTER-UHFFFAOYSA-N 0 1 293.287 0.809 20 5 CCBDMN CCc1n[nH]c(NC(=O)CCn2cc([N+](=O)[O-])nc2C)n1 ZINC000123084133 187070327 /nfs/dbraw/zinc/07/03/27/187070327.db2.gz SQHGHTSCOVMTER-UHFFFAOYSA-N 0 1 293.287 0.809 20 5 CCBDMN CC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000194641511 351878970 /nfs/dbraw/zinc/87/89/70/351878970.db2.gz RESOLPUFWDUIHF-SECBINFHSA-N 0 1 294.311 0.910 20 5 CCBDMN CC[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000194641511 351878978 /nfs/dbraw/zinc/87/89/78/351878978.db2.gz RESOLPUFWDUIHF-SECBINFHSA-N 0 1 294.311 0.910 20 5 CCBDMN CN(C)S(=O)(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000230990059 352124161 /nfs/dbraw/zinc/12/41/61/352124161.db2.gz SUYCPFNCFRYCPN-UHFFFAOYSA-N 0 1 287.341 0.576 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1COCCN1 ZINC000235761919 352187508 /nfs/dbraw/zinc/18/75/08/352187508.db2.gz JYOZBHXUWADRNN-SECBINFHSA-N 0 1 252.274 0.699 20 5 CCBDMN Cc1cc(NC[C@@H]2COCCN2)ncc1[N+](=O)[O-] ZINC000235904375 352189775 /nfs/dbraw/zinc/18/97/75/352189775.db2.gz IKUZQSWOSNVPJH-SECBINFHSA-N 0 1 252.274 0.699 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000236069025 352190826 /nfs/dbraw/zinc/19/08/26/352190826.db2.gz UESDPCLLLVPCCX-VIFPVBQESA-N 0 1 299.714 0.966 20 5 CCBDMN C[NH2+]CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237139188 352246206 /nfs/dbraw/zinc/24/62/06/352246206.db2.gz HULSWVRZFACAOI-UHFFFAOYSA-N 0 1 293.732 0.746 20 5 CCBDMN C[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000604197922 363181803 /nfs/dbraw/zinc/18/18/03/363181803.db2.gz BREDULPDRFFSEG-MRVPVSSYSA-N 0 1 280.284 0.519 20 5 CCBDMN C[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000604197922 363181804 /nfs/dbraw/zinc/18/18/04/363181804.db2.gz BREDULPDRFFSEG-MRVPVSSYSA-N 0 1 280.284 0.519 20 5 CCBDMN COc1cc(C(=O)NCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000135628392 187844288 /nfs/dbraw/zinc/84/42/88/187844288.db2.gz LWWKYSCDXFBWNC-UHFFFAOYSA-N 0 1 291.267 0.694 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCN(C)C(=O)C2(C)C)c1[N+](=O)[O-] ZINC000268049448 352804679 /nfs/dbraw/zinc/80/46/79/352804679.db2.gz OJWWGOBXQMLEOU-UHFFFAOYSA-N 0 1 295.299 0.319 20 5 CCBDMN CC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1O ZINC000270695955 352969415 /nfs/dbraw/zinc/96/94/15/352969415.db2.gz WVUJGEXLIKYWIE-SFYZADRCSA-N 0 1 268.273 0.469 20 5 CCBDMN CC[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1O ZINC000270695953 352969635 /nfs/dbraw/zinc/96/96/35/352969635.db2.gz WVUJGEXLIKYWIE-JGVFFNPUSA-N 0 1 268.273 0.469 20 5 CCBDMN COC[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000272533893 353072290 /nfs/dbraw/zinc/07/22/90/353072290.db2.gz NBBCXKRUEQJRMS-LBPRGKRZSA-N 0 1 296.279 0.788 20 5 CCBDMN COC[C@H](CCO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272635679 353081305 /nfs/dbraw/zinc/08/13/05/353081305.db2.gz CLELMNPYASFUEF-VIFPVBQESA-N 0 1 284.268 0.428 20 5 CCBDMN O=C(NC[C@H](O)C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272692080 353085971 /nfs/dbraw/zinc/08/59/71/353085971.db2.gz QOYYQABGADAQEF-NSHDSACASA-N 0 1 266.253 0.801 20 5 CCBDMN CCOC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000274578424 353142955 /nfs/dbraw/zinc/14/29/55/353142955.db2.gz NRGQWLLEBYUUBO-SSDOTTSWSA-N 0 1 297.271 0.279 20 5 CCBDMN CCCOC(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000153356592 188077665 /nfs/dbraw/zinc/07/76/65/188077665.db2.gz UHVMPWRWJQBQSZ-UHFFFAOYSA-N 0 1 270.245 0.391 20 5 CCBDMN C[C@H]1C[C@@H](O)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000292377255 198265171 /nfs/dbraw/zinc/26/51/71/198265171.db2.gz JIKXEFUEYWZYFH-JQWIXIFHSA-N 0 1 281.312 0.602 20 5 CCBDMN COC[C@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000280288430 353353352 /nfs/dbraw/zinc/35/33/52/353353352.db2.gz QYSWXWAPRAYBPG-QMMMGPOBSA-N 0 1 270.241 0.038 20 5 CCBDMN CCN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCNC1=O ZINC000282415003 353422030 /nfs/dbraw/zinc/42/20/30/353422030.db2.gz QJKSFTNNUPMPHP-VIFPVBQESA-N 0 1 267.289 0.002 20 5 CCBDMN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000282211172 353403044 /nfs/dbraw/zinc/40/30/44/353403044.db2.gz PLDYOCYLRQJPMY-RDDDGLTNSA-N 0 1 293.279 0.555 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000282967816 353468943 /nfs/dbraw/zinc/46/89/43/353468943.db2.gz BBIVDHIMKXCDAN-LURJTMIESA-N 0 1 256.262 0.333 20 5 CCBDMN CCN1CCN(c2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000286278222 353574094 /nfs/dbraw/zinc/57/40/94/353574094.db2.gz HUYWOSGYCGGAJG-SECBINFHSA-N 0 1 253.306 0.859 20 5 CCBDMN C[C@@]1(F)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000295520004 353900621 /nfs/dbraw/zinc/90/06/21/353900621.db2.gz UPRJESNJZFWHQR-VXGBXAGGSA-N 0 1 286.307 0.976 20 5 CCBDMN CC[C@@H](CO)N1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000297034767 353959902 /nfs/dbraw/zinc/95/99/02/353959902.db2.gz HOKRNRGHUKAEGL-NSHDSACASA-N 0 1 295.343 0.586 20 5 CCBDMN Cc1nc(N2CCN(C[C@H](C)O)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000297266018 353960792 /nfs/dbraw/zinc/96/07/92/353960792.db2.gz WKKHNXROHDCPMD-ZJUUUORDSA-N 0 1 295.343 0.585 20 5 CCBDMN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1nnc[nH]1 ZINC000299274307 354005454 /nfs/dbraw/zinc/00/54/54/354005454.db2.gz LFADGGHLJCVIAR-UHFFFAOYSA-N 0 1 290.283 0.831 20 5 CCBDMN C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CC1 ZINC000299282575 354006243 /nfs/dbraw/zinc/00/62/43/354006243.db2.gz TXEFGRBBLHJBNC-UHFFFAOYSA-N 0 1 280.284 0.519 20 5 CCBDMN C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CC1 ZINC000299282575 354006245 /nfs/dbraw/zinc/00/62/45/354006245.db2.gz TXEFGRBBLHJBNC-UHFFFAOYSA-N 0 1 280.284 0.519 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCc3n[nH]cc3C2)c1[N+](=O)[O-] ZINC000299557946 354027566 /nfs/dbraw/zinc/02/75/66/354027566.db2.gz KUOZFSJSXJFARJ-UHFFFAOYSA-N 0 1 276.256 0.548 20 5 CCBDMN O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1n[nH]cc1[N+](=O)[O-] ZINC000305727570 354156124 /nfs/dbraw/zinc/15/61/24/354156124.db2.gz JRHKPBSTPOGPKM-GHMZBOCLSA-N 0 1 288.263 0.706 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000330378234 354336480 /nfs/dbraw/zinc/33/64/80/354336480.db2.gz FVRLHFQOFFKIJA-BQBZGAKWSA-N 0 1 254.246 0.473 20 5 CCBDMN O=C(NC[C@H]1CCCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000330532802 354396637 /nfs/dbraw/zinc/39/66/37/354396637.db2.gz NWMXIFJFRVWVCO-SSDOTTSWSA-N 0 1 254.246 0.617 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCS(=O)CC1 ZINC000330598741 354425301 /nfs/dbraw/zinc/42/53/01/354425301.db2.gz BIQPCKMHJBPNOA-UHFFFAOYSA-N 0 1 270.310 0.865 20 5 CCBDMN CCN1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000331109522 354452606 /nfs/dbraw/zinc/45/26/06/354452606.db2.gz IKRWICROYHZSPO-UHFFFAOYSA-N 0 1 279.252 0.562 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCC(O)(C(F)F)CC2)c1 ZINC000331153350 354469278 /nfs/dbraw/zinc/46/92/78/354469278.db2.gz ORXVNWPKGVLKNL-UHFFFAOYSA-N 0 1 290.270 0.883 20 5 CCBDMN CNC(=O)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339039630 355475077 /nfs/dbraw/zinc/47/50/77/355475077.db2.gz JIFOOAYHRHRGDQ-UHFFFAOYSA-N 0 1 294.311 0.757 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1n[nH]c(=O)o1 ZINC000425278922 235279907 /nfs/dbraw/zinc/27/99/07/235279907.db2.gz HOULGCOYCCNDEM-UHFFFAOYSA-N 0 1 282.260 0.845 20 5 CCBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2nn[nH]n2)CC1 ZINC000348296034 355907321 /nfs/dbraw/zinc/90/73/21/355907321.db2.gz DCCWWRBBADCZHM-UHFFFAOYSA-N 0 1 288.267 0.835 20 5 CCBDMN Cc1[nH]ncc1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000352789057 356080195 /nfs/dbraw/zinc/08/01/95/356080195.db2.gz MJVVAHMMFPYJJJ-UHFFFAOYSA-N 0 1 276.256 0.732 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000360759772 138009358 /nfs/dbraw/zinc/00/93/58/138009358.db2.gz XEYFUSYWMXCZIT-BZPMIXESSA-N 0 1 294.282 0.911 20 5 CCBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@@H]3COC[C@H]3O)C2)nc1 ZINC000361316907 138029041 /nfs/dbraw/zinc/02/90/41/138029041.db2.gz WVRCMUFVYQTKJQ-YUSALJHKSA-N 0 1 294.311 0.236 20 5 CCBDMN C[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])N(C)C ZINC000560315665 291094532 /nfs/dbraw/zinc/09/45/32/291094532.db2.gz FCEKAOOWFFTXQR-QMMMGPOBSA-N 0 1 288.329 0.218 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(c2nccs2)CC1 ZINC000363626879 138092574 /nfs/dbraw/zinc/09/25/74/138092574.db2.gz GPPXMAVKQCNANY-NXEZZACHSA-N 0 1 296.352 0.847 20 5 CCBDMN Cc1cc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n[nH]1 ZINC000609594678 363507968 /nfs/dbraw/zinc/50/79/68/363507968.db2.gz CHDGFBQHQCMPSU-UHFFFAOYSA-N 0 1 291.267 0.104 20 5 CCBDMN O=C(c1csc([N+](=O)[O-])c1)N1CCc2[nH]nnc2C1 ZINC000359748353 356883602 /nfs/dbraw/zinc/88/36/02/356883602.db2.gz ZSKGDTGVQSCXPF-UHFFFAOYSA-N 0 1 279.281 0.973 20 5 CCBDMN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@]12CCCO2 ZINC000368119847 357323321 /nfs/dbraw/zinc/32/33/21/357323321.db2.gz YWWYMGZVNWUADG-HMUNZLOLSA-N 0 1 284.312 0.494 20 5 CCBDMN Nc1nccc([C@@H]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000376124965 357435564 /nfs/dbraw/zinc/43/55/64/357435564.db2.gz HUFDDZBURQQPLK-FXPVBKGRSA-N 0 1 291.311 0.260 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC000377196584 357551027 /nfs/dbraw/zinc/55/10/27/357551027.db2.gz WWGFFFKRTJINFS-ZETCQYMHSA-N 0 1 295.299 0.218 20 5 CCBDMN O=[N+]([O-])c1cnc(NCCN2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000450786011 236111542 /nfs/dbraw/zinc/11/15/42/236111542.db2.gz CEYIKCFHCJUNMT-DTORHVGOSA-N 0 1 284.341 0.748 20 5 CCBDMN CC1(C)CCC[C@]1(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000294476271 199054882 /nfs/dbraw/zinc/05/48/82/199054882.db2.gz RFCABRBWIRBMJE-LBPRGKRZSA-N 0 1 282.300 0.989 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000408250631 357992696 /nfs/dbraw/zinc/99/26/96/357992696.db2.gz PFVPGVWHWOJGKM-OCAPTIKFSA-N 0 1 266.257 0.630 20 5 CCBDMN C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C[C@@H]21 ZINC000408461575 358106933 /nfs/dbraw/zinc/10/69/33/358106933.db2.gz ASJYKVRPKHYOSD-KCJUWKMLSA-N 0 1 292.295 0.472 20 5 CCBDMN C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C[C@@H]21 ZINC000408461575 358106936 /nfs/dbraw/zinc/10/69/36/358106936.db2.gz ASJYKVRPKHYOSD-KCJUWKMLSA-N 0 1 292.295 0.472 20 5 CCBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000451134161 358259299 /nfs/dbraw/zinc/25/92/99/358259299.db2.gz GUMSMUQNGSHXNV-UHFFFAOYSA-N 0 1 267.285 0.996 20 5 CCBDMN Cc1[nH]nc(C(=O)N2Cc3cncnc3C2)c1[N+](=O)[O-] ZINC000579858415 359057012 /nfs/dbraw/zinc/05/70/12/359057012.db2.gz ZUPMHHPNQNSPJS-UHFFFAOYSA-N 0 1 274.240 0.572 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCc3c[nH]nc3C2)c1[N+](=O)[O-] ZINC000611012104 363649430 /nfs/dbraw/zinc/64/94/30/363649430.db2.gz KOHVMKGXCHZKNL-UHFFFAOYSA-N 0 1 276.256 0.548 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590053380 359420620 /nfs/dbraw/zinc/42/06/20/359420620.db2.gz UWOZOZXIHXACFJ-GDNZZTSVSA-N 0 1 264.281 0.971 20 5 CCBDMN CCN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H]1C ZINC000611084803 363657137 /nfs/dbraw/zinc/65/71/37/363657137.db2.gz VAOZJKHHBSUHRQ-VIFPVBQESA-N 0 1 293.327 0.619 20 5 CCBDMN CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000611087924 363657244 /nfs/dbraw/zinc/65/72/44/363657244.db2.gz SATGWNUUOKVFET-SNVBAGLBSA-N 0 1 295.343 0.652 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCO[C@H]3C[C@H]32)c1[N+](=O)[O-] ZINC000590434514 359461109 /nfs/dbraw/zinc/46/11/09/359461109.db2.gz NTYMHZLNQVKNDM-SFYZADRCSA-N 0 1 266.257 0.494 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(F)cn2)c1 ZINC000591754447 359653873 /nfs/dbraw/zinc/65/38/73/359653873.db2.gz MLBCDGPWAPENGI-GFCCVEGCSA-N 0 1 295.274 0.476 20 5 CCBDMN O=[N+]([O-])c1cnn(CCc2nc([C@@H]3CCCN3)no2)c1 ZINC000592356978 359823579 /nfs/dbraw/zinc/82/35/79/359823579.db2.gz OHYLVCFHYVWLMQ-VIFPVBQESA-N 0 1 278.272 0.842 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(-c2nc([C@H]3CCCN3)no2)n1 ZINC000592356800 359823835 /nfs/dbraw/zinc/82/38/35/359823835.db2.gz AKHVBHQJSVIFEP-ZCFIWIBFSA-N 0 1 264.245 0.803 20 5 CCBDMN C[C@@H](C[C@@H]1CCOC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000611212572 363683465 /nfs/dbraw/zinc/68/34/65/363683465.db2.gz QTRXQVSQCLTJFD-YUMQZZPRSA-N 0 1 268.273 0.863 20 5 CCBDMN C[C@@H](CC(N)=O)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611223042 363687127 /nfs/dbraw/zinc/68/71/27/363687127.db2.gz KMLLRLKZPWRURG-QMMMGPOBSA-N 0 1 295.295 0.720 20 5 CCBDMN CCc1nc(CNC(=O)Nc2ccncc2[N+](=O)[O-])n[nH]1 ZINC000297793975 200281215 /nfs/dbraw/zinc/28/12/15/200281215.db2.gz OOVKCZXUAFEBBI-UHFFFAOYSA-N 0 1 291.271 0.992 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CN(C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592899790 359972754 /nfs/dbraw/zinc/97/27/54/359972754.db2.gz DDUORTWXENWVSL-LURJTMIESA-N 0 1 281.272 0.141 20 5 CCBDMN CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CO1 ZINC000593064716 360026745 /nfs/dbraw/zinc/02/67/45/360026745.db2.gz VMDHPXRFWZGXIH-CYZMBNFOSA-N 0 1 298.343 0.652 20 5 CCBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000593187286 360051330 /nfs/dbraw/zinc/05/13/30/360051330.db2.gz IWITWPCNUOOZSS-GMTAPVOTSA-N 0 1 295.343 0.731 20 5 CCBDMN NC(=O)[C@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000593812317 360163531 /nfs/dbraw/zinc/16/35/31/360163531.db2.gz ARWMNEBANBWTGU-WRXNHJIOSA-N 0 1 279.252 0.294 20 5 CCBDMN C[C@@H](O)CN[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000593920051 360215884 /nfs/dbraw/zinc/21/58/84/360215884.db2.gz JKBOTOPQIIYEDE-KCJUWKMLSA-N 0 1 293.279 0.197 20 5 CCBDMN CC1(C)[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1O ZINC000594004166 360232996 /nfs/dbraw/zinc/23/29/96/360232996.db2.gz WOSDTKRTTIUBIL-NEPJUHHUSA-N 0 1 293.323 0.943 20 5 CCBDMN COc1cccc(C(=O)NCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000563397742 291223045 /nfs/dbraw/zinc/22/30/45/291223045.db2.gz NPLTVRXNZDYPCY-UHFFFAOYSA-N 0 1 291.267 0.694 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000177395734 189047752 /nfs/dbraw/zinc/04/77/52/189047752.db2.gz QMMRMSGSMGAVGJ-GFCCVEGCSA-N 0 1 282.300 0.867 20 5 CCBDMN O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCc1c[nH]nn1)CC2 ZINC000595422466 360526376 /nfs/dbraw/zinc/52/63/76/360526376.db2.gz HBNXVJBXRWLLLQ-UHFFFAOYSA-N 0 1 274.284 0.709 20 5 CCBDMN O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCc1c[nH]nn1)CC2 ZINC000595422466 360526379 /nfs/dbraw/zinc/52/63/79/360526379.db2.gz HBNXVJBXRWLLLQ-UHFFFAOYSA-N 0 1 274.284 0.709 20 5 CCBDMN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cscn1 ZINC000595667605 360614539 /nfs/dbraw/zinc/61/45/39/360614539.db2.gz HOFFAMVQPJLTLH-SCZZXKLOSA-N 0 1 297.340 0.960 20 5 CCBDMN CO[C@]1(CO)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595657649 360607064 /nfs/dbraw/zinc/60/70/64/360607064.db2.gz DZDQLTJFDXVMGR-GFCCVEGCSA-N 0 1 284.316 0.265 20 5 CCBDMN COC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC000180625647 189266228 /nfs/dbraw/zinc/26/62/28/189266228.db2.gz PENYJYDCFHAMJS-UHFFFAOYSA-N 0 1 254.246 0.617 20 5 CCBDMN O=C(N[C@@H]1CCNC(=O)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597784922 361244848 /nfs/dbraw/zinc/24/48/48/361244848.db2.gz VXXCCOYSDIRHLF-VIFPVBQESA-N 0 1 293.279 0.699 20 5 CCBDMN C[C@@H]1CN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000597997094 361305068 /nfs/dbraw/zinc/30/50/68/361305068.db2.gz LBKPUDYPUGIKRW-RKDXNWHRSA-N 0 1 297.315 0.157 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598162042 361346632 /nfs/dbraw/zinc/34/66/32/361346632.db2.gz HJPQNFSKWSFJKE-UHFFFAOYSA-N 0 1 281.316 0.201 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC1CN(C)C1 ZINC000598164723 361346859 /nfs/dbraw/zinc/34/68/59/361346859.db2.gz VKAAJHXSDNTJNX-UHFFFAOYSA-N 0 1 295.343 0.510 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000598741189 361505446 /nfs/dbraw/zinc/50/54/46/361505446.db2.gz WBUUVGSKLKDJRD-IUCAKERBSA-N 0 1 282.300 0.859 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC(C)(C)F)n1 ZINC000599343096 361662343 /nfs/dbraw/zinc/66/23/43/361662343.db2.gz XKYHRAGLUMPZCC-UHFFFAOYSA-N 0 1 294.308 0.745 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCc3nc[nH]c3C2)n1 ZINC000599429099 361696166 /nfs/dbraw/zinc/69/61/66/361696166.db2.gz FQVYKHRXEDOXOR-UHFFFAOYSA-N 0 1 262.273 0.573 20 5 CCBDMN CCN1CCC[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000330657409 203086708 /nfs/dbraw/zinc/08/67/08/203086708.db2.gz OGFBPEIPIBPYHR-VIFPVBQESA-N 0 1 281.316 0.542 20 5 CCBDMN NC(=O)[C@]1(O)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000276497218 193356728 /nfs/dbraw/zinc/35/67/28/193356728.db2.gz WXYLSVWEJJCJBO-LBPRGKRZSA-N 0 1 265.269 0.017 20 5 CCBDMN CC[C@H]1CN(C)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000574427714 335019052 /nfs/dbraw/zinc/01/90/52/335019052.db2.gz FXQUIKIRSQYAPE-JTQLQIEISA-N 0 1 281.316 0.344 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](O)[C@H](CO)C1 ZINC000459712884 249057207 /nfs/dbraw/zinc/05/72/07/249057207.db2.gz RWSIBMGMOXEFRY-WCQYABFASA-N 0 1 266.297 0.688 20 5 CCBDMN CO[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C(=O)[O-])C1 ZINC000515672873 249143006 /nfs/dbraw/zinc/14/30/06/249143006.db2.gz KYVZKZUYMPIMCU-VHSXEESVSA-N 0 1 298.299 0.355 20 5 CCBDMN CN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 ZINC000284776918 388783568 /nfs/dbraw/zinc/78/35/68/388783568.db2.gz ANJJWSIWESGNKT-NXEZZACHSA-N 0 1 295.295 0.733 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)N1 ZINC000070076031 388953830 /nfs/dbraw/zinc/95/38/30/388953830.db2.gz XLRFRKLFJODRMQ-RKDXNWHRSA-N 0 1 266.301 0.756 20 5 CCBDMN CCO[C@@H]1COCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000354339005 389020517 /nfs/dbraw/zinc/02/05/17/389020517.db2.gz JRWWRRPJEFMXLH-VXNVDRBHSA-N 0 1 284.272 0.242 20 5 CCBDMN O=C(NCc1cnc[nH]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000225816321 389146759 /nfs/dbraw/zinc/14/67/59/389146759.db2.gz TVLZTZVBSGGQOC-UHFFFAOYSA-N 0 1 262.225 0.954 20 5 CCBDMN O=C(N[C@@H](CO)CC1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000338244110 389096511 /nfs/dbraw/zinc/09/65/11/389096511.db2.gz CXNIMIQRCNVCNI-SECBINFHSA-N 0 1 282.300 0.989 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOCC12CCCC2 ZINC000367088822 389320190 /nfs/dbraw/zinc/32/01/90/389320190.db2.gz FIFIUOXQLWKAFL-NXEZZACHSA-N 0 1 254.286 0.823 20 5 CCBDMN CC[C@@H](C)[C@@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000160029995 389377679 /nfs/dbraw/zinc/37/76/79/389377679.db2.gz SMERTFXKJUKWSZ-SVRRBLITSA-N 0 1 256.262 0.455 20 5 CCBDMN CC[C@H](C)[C@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000160029875 389377719 /nfs/dbraw/zinc/37/77/19/389377719.db2.gz SMERTFXKJUKWSZ-POYBYMJQSA-N 0 1 256.262 0.455 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](CO)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000421939823 389385712 /nfs/dbraw/zinc/38/57/12/389385712.db2.gz XMGCWXIUUJPCJS-MRVPVSSYSA-N 0 1 298.299 0.238 20 5 CCBDMN NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000422015999 389390657 /nfs/dbraw/zinc/39/06/57/389390657.db2.gz OFTYGPJVCOPMMC-MNOVXSKESA-N 0 1 293.279 0.684 20 5 CCBDMN CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000422036611 389392819 /nfs/dbraw/zinc/39/28/19/389392819.db2.gz NXWUFMUXYBAYBG-JTQLQIEISA-N 0 1 294.311 0.862 20 5 CCBDMN CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000422036611 389392822 /nfs/dbraw/zinc/39/28/22/389392822.db2.gz NXWUFMUXYBAYBG-JTQLQIEISA-N 0 1 294.311 0.862 20 5 CCBDMN O=C(NC[C@H]1CC[C@H](CO)O1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000349694499 389421627 /nfs/dbraw/zinc/42/16/27/389421627.db2.gz MYLLBATYAPXTPN-VXGBXAGGSA-N 0 1 296.279 0.570 20 5 CCBDMN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000371761941 389437635 /nfs/dbraw/zinc/43/76/35/389437635.db2.gz AAWGFNBKDYWCNG-WISYIIOYSA-N 0 1 298.339 0.430 20 5 CCBDMN O=C(N[C@H]1CC(=O)N2CCCC[C@@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000374918092 389620669 /nfs/dbraw/zinc/62/06/69/389620669.db2.gz VROBMCRUHIYELF-YUMQZZPRSA-N 0 1 293.283 0.201 20 5 CCBDMN CCc1nc(NC(=O)c2cc([N+](=O)[O-])cnc2N)n[nH]1 ZINC000351748702 389672635 /nfs/dbraw/zinc/67/26/35/389672635.db2.gz JPUHPRCDLPNVDF-UHFFFAOYSA-N 0 1 277.244 0.505 20 5 CCBDMN CCc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])cnc2N)n1 ZINC000351748702 389672636 /nfs/dbraw/zinc/67/26/36/389672636.db2.gz JPUHPRCDLPNVDF-UHFFFAOYSA-N 0 1 277.244 0.505 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405205754 389813693 /nfs/dbraw/zinc/81/36/93/389813693.db2.gz FZXPGWVYLDCUPU-QWHCGFSZSA-N 0 1 291.307 0.486 20 5 CCBDMN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000440407062 390036458 /nfs/dbraw/zinc/03/64/58/390036458.db2.gz MUKUAWHLCVYZQC-ZETCQYMHSA-N 0 1 291.354 0.672 20 5 CCBDMN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1n[nH]cc1[N+](=O)[O-] ZINC000486725618 390082713 /nfs/dbraw/zinc/08/27/13/390082713.db2.gz SXRCSNBLBPQJQO-JKMUOGBPSA-N 0 1 252.230 0.368 20 5 CCBDMN Cc1nc(CN(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])no1 ZINC000539787529 390210598 /nfs/dbraw/zinc/21/05/98/390210598.db2.gz QMBHUBOQHYFNBJ-UHFFFAOYSA-N 0 1 280.244 0.590 20 5 CCBDMN CCOC(=O)NCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000495942116 390271001 /nfs/dbraw/zinc/27/10/01/390271001.db2.gz MSEVIRDKVKAKSC-UHFFFAOYSA-N 0 1 271.229 0.826 20 5 CCBDMN CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000547763888 390397225 /nfs/dbraw/zinc/39/72/25/390397225.db2.gz IOVNBLCYSGEXGD-MRVPVSSYSA-N 0 1 267.289 0.484 20 5 CCBDMN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[NH2+]1 ZINC000572402502 390782143 /nfs/dbraw/zinc/78/21/43/390782143.db2.gz SLVAHCFRTHMPHJ-UHFFFAOYSA-N 0 1 280.284 0.519 20 5 CCBDMN COC(=O)C[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269366220 132161190 /nfs/dbraw/zinc/16/11/90/132161190.db2.gz KTMWJYXOHDTRFW-ZETCQYMHSA-N 0 1 282.252 0.982 20 5 CCBDMN O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1c[nH]nn1 ZINC000352161106 397463944 /nfs/dbraw/zinc/46/39/44/397463944.db2.gz UCRBYIYGKNGLKC-UHFFFAOYSA-N 0 1 255.621 0.576 20 5 CCBDMN Cc1cc(C(=O)N=c2ncn(C)[nH]2)ccc1[N+](=O)[O-] ZINC000356431099 144002490 /nfs/dbraw/zinc/00/24/90/144002490.db2.gz PNZQHIZIJLOMLN-UHFFFAOYSA-N 0 1 261.241 0.706 20 5 CCBDMN O=C(NCCc1ncc[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356542561 144013060 /nfs/dbraw/zinc/01/30/60/144013060.db2.gz AYRQMTOEPRMMJI-UHFFFAOYSA-N 0 1 276.252 0.996 20 5 CCBDMN Cc1cc(C(=O)NC2(c3nn[nH]n3)CC2)cc([N+](=O)[O-])c1 ZINC000357071580 144056508 /nfs/dbraw/zinc/05/65/08/144056508.db2.gz KWMRRTVHAKSFOX-UHFFFAOYSA-N 0 1 288.267 0.835 20 5 CCBDMN Cn1c(C(=O)N2CCNC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000357346492 144083168 /nfs/dbraw/zinc/08/31/68/144083168.db2.gz WQEJTSYETPHQTO-UHFFFAOYSA-N 0 1 266.301 0.757 20 5 CCBDMN C[C@@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCOC1 ZINC000357962745 144137509 /nfs/dbraw/zinc/13/75/09/144137509.db2.gz IKQXLKXJFAGXKT-SNVBAGLBSA-N 0 1 254.246 0.617 20 5 CCBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000359092047 144193844 /nfs/dbraw/zinc/19/38/44/144193844.db2.gz CFGIMZRWSAYXLN-JTQLQIEISA-N 0 1 295.343 0.289 20 5 CCBDMN CCC[C@H]1CNCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000359212674 144202898 /nfs/dbraw/zinc/20/28/98/144202898.db2.gz CXOXUKVOVNPWIT-JTQLQIEISA-N 0 1 281.316 0.392 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](C2CCOCC2)C1 ZINC000371076041 144318080 /nfs/dbraw/zinc/31/80/80/144318080.db2.gz SYQGZKGWONUURO-IJLUTSLNSA-N 0 1 268.313 0.927 20 5 CCBDMN CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(=O)[O-] ZINC000038021406 174000898 /nfs/dbraw/zinc/00/08/98/174000898.db2.gz ATYKUXMGBAETGH-UHFFFAOYSA-N 0 1 270.289 0.896 20 5 CCBDMN Cc1ccc(NC(=O)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000043707776 175100790 /nfs/dbraw/zinc/10/07/90/175100790.db2.gz IIDYHVHPLILRCV-LLVKDONJSA-N 0 1 265.269 0.830 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)Nc2nn[nH]n2)c1[N+](=O)[O-] ZINC000433774623 278003144 /nfs/dbraw/zinc/00/31/44/278003144.db2.gz MRVINZBUWSUDOI-UHFFFAOYSA-N 0 1 266.221 0.207 20 5 CCBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(N)=O ZINC000296541286 278364417 /nfs/dbraw/zinc/36/44/17/278364417.db2.gz FEPIPEFTMGINBT-JGVFFNPUSA-N 0 1 280.284 0.829 20 5 CCBDMN C[C@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577372772 335344151 /nfs/dbraw/zinc/34/41/51/335344151.db2.gz PUZWIOSDDIEXCI-YUMQZZPRSA-N 0 1 288.329 0.394 20 5 CCBDMN NC(=O)C[C@H]1COCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449779539 534362674 /nfs/dbraw/zinc/36/26/74/534362674.db2.gz XVLJZPHYNBAOPD-JTQLQIEISA-N 0 1 295.295 0.377 20 5 CCBDMN O=C(N[C@@H]1CCCc2c1cnn2CCO)[C@@H]1CC1[N+](=O)[O-] ZINC000364765518 526913238 /nfs/dbraw/zinc/91/32/38/526913238.db2.gz XEIUXORDPRIFIK-HLUHBDAQSA-N 0 1 294.311 0.034 20 5 CCBDMN O=C(N[C@H](CO)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000155628642 527000486 /nfs/dbraw/zinc/00/04/86/527000486.db2.gz LOCOHJJOQXOKFQ-SECBINFHSA-N 0 1 276.252 0.781 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCCNC(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000373118451 535999840 /nfs/dbraw/zinc/99/98/40/535999840.db2.gz ROHLTYIBPATPKK-ZETCQYMHSA-N 0 1 295.299 0.231 20 5 CCBDMN CNC(=O)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000356757448 536352609 /nfs/dbraw/zinc/35/26/09/536352609.db2.gz AFSZSHFJWZPOKM-NSHDSACASA-N 0 1 295.295 0.801 20 5 CCBDMN CCCc1[nH]nc(C(=O)Nc2c[nH]nn2)c1[N+](=O)[O-] ZINC000789925825 581163921 /nfs/dbraw/zinc/16/39/21/581163921.db2.gz JZFGKPYZZZGFDF-UHFFFAOYSA-N 0 1 265.233 0.641 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2C[C@@H]3C[C@]3(CO)C2)c1[N+](=O)[O-] ZINC000783820948 581365055 /nfs/dbraw/zinc/36/50/55/581365055.db2.gz QAGGEFXROPXVPT-ISVAXAHUSA-N 0 1 294.311 0.725 20 5 CCBDMN COC[C@@H](Cn1cncn1)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000756616509 581672916 /nfs/dbraw/zinc/67/29/16/581672916.db2.gz YHFTWSJFHHUQFQ-MRVPVSSYSA-N 0 1 295.255 0.386 20 5 CCBDMN CCOC(=O)[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769491859 581692012 /nfs/dbraw/zinc/69/20/12/581692012.db2.gz QIRUYMCRLBOCHA-SSDOTTSWSA-N 0 1 282.252 0.982 20 5 CCBDMN CC(=O)OC1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000753717475 581696781 /nfs/dbraw/zinc/69/67/81/581696781.db2.gz FYRQNWYSTWUMBB-UHFFFAOYSA-N 0 1 296.283 0.794 20 5 CCBDMN O=C(O[C@H]1CC(=O)N(C2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000762110068 581931859 /nfs/dbraw/zinc/93/18/59/581931859.db2.gz GWXFNGJSZXZFSD-QMMMGPOBSA-N 0 1 279.252 0.843 20 5 CCBDMN O=C(N[C@H]1CCCCC12OCCO2)c1n[nH]cc1[N+](=O)[O-] ZINC000764903102 582075972 /nfs/dbraw/zinc/07/59/72/582075972.db2.gz GVRWVKGWNFAHLC-VIFPVBQESA-N 0 1 296.283 0.733 20 5 CCBDMN COCCN(CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582092 582080666 /nfs/dbraw/zinc/08/06/66/582080666.db2.gz QETYCDQQWTYUGQ-CYBMUJFWSA-N 0 1 284.312 0.569 20 5 CCBDMN O=C([O-])[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000819287389 601113460 /nfs/dbraw/zinc/11/34/60/601113460.db2.gz SVBLTSLKAGWLRU-QMMMGPOBSA-N 0 1 254.246 0.198 20 5 CCBDMN O=C([O-])[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000819240074 601114507 /nfs/dbraw/zinc/11/45/07/601114507.db2.gz SUQASXRJUUTEFH-VIFPVBQESA-N 0 1 254.246 0.340 20 5 CCBDMN CS(=O)(=O)c1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840673639 617188332 /nfs/dbraw/zinc/18/83/32/617188332.db2.gz WPBXMZMELSWYLG-GHMZBOCLSA-N 0 1 299.304 0.799 20 5 CCBDMN COc1cc(CNCCN(C)OC)c([N+](=O)[O-])cc1O ZINC000883172554 617188989 /nfs/dbraw/zinc/18/89/89/617188989.db2.gz LFRPOHQUFADFPR-UHFFFAOYSA-N 0 1 285.300 0.892 20 5 CCBDMN O=C([O-])NCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000834238966 605764301 /nfs/dbraw/zinc/76/43/01/605764301.db2.gz BXQYDWQOCQYSNN-SECBINFHSA-N 0 1 295.299 0.744 20 5 CCBDMN CC(C)(C)[S@@](=O)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839679317 614044210 /nfs/dbraw/zinc/04/42/10/614044210.db2.gz HLIVBJMDIRTGNN-ZEAWXOLYSA-N 0 1 262.331 0.315 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839556545 617282547 /nfs/dbraw/zinc/28/25/47/617282547.db2.gz KNSLSVBDGKNQJA-NXEZZACHSA-N 0 1 295.251 0.885 20 5 CCBDMN CC(=O)NCCOCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000813941806 613743893 /nfs/dbraw/zinc/74/38/93/613743893.db2.gz TVWISZKXHALWIE-UHFFFAOYSA-N 0 1 285.256 0.232 20 5 CCBDMN CC(C)CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)C1=O ZINC000839729835 614095681 /nfs/dbraw/zinc/09/56/81/614095681.db2.gz APJNVAHHDQLQOB-HBNTYKKESA-N 0 1 283.328 0.367 20 5 CCBDMN CC(C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCC1CCCC1 ZINC000840401233 614168028 /nfs/dbraw/zinc/16/80/28/614168028.db2.gz MOPGUEBZUWDLDK-GHMZBOCLSA-N 0 1 297.355 0.853 20 5 CCBDMN CC(=O)[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000887249720 614236484 /nfs/dbraw/zinc/23/64/84/614236484.db2.gz CYGDNWPYOJMXFI-GWOFURMSSA-N 0 1 254.286 0.916 20 5 CCBDMN CC(C)[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839716316 614276191 /nfs/dbraw/zinc/27/61/91/614276191.db2.gz BVFYBKIESOQXGL-LNFKQOIKSA-N 0 1 256.302 0.971 20 5 CCBDMN CC1(C)CC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000862771034 614506871 /nfs/dbraw/zinc/50/68/71/614506871.db2.gz PYGSVMUYOXELAZ-NXEZZACHSA-N 0 1 254.286 0.869 20 5 CCBDMN CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC000959799003 614880801 /nfs/dbraw/zinc/88/08/01/614880801.db2.gz YZUKEASGTNVJHO-WRWGMCAJSA-N 0 1 295.339 0.369 20 5 CCBDMN CCOC(=O)C(CC)(CC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840462354 615152800 /nfs/dbraw/zinc/15/28/00/615152800.db2.gz RJJQYLBRNBWIEP-RKDXNWHRSA-N 0 1 272.301 0.890 20 5 CCBDMN CCOC(=O)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000840313383 615184959 /nfs/dbraw/zinc/18/49/59/615184959.db2.gz XZSMIMOISRDYCA-RKDXNWHRSA-N 0 1 258.274 0.452 20 5 CCBDMN CCN1CC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000882486076 615244112 /nfs/dbraw/zinc/24/41/12/615244112.db2.gz YALYNYBTJZUSIW-SNVBAGLBSA-N 0 1 281.316 0.310 20 5 CCBDMN CC[C@@H](CO)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886023146 615488471 /nfs/dbraw/zinc/48/84/71/615488471.db2.gz MHRCUJZVIZRGHL-ZDUSSCGKSA-N 0 1 294.355 0.878 20 5 CCBDMN CCn1cnc(CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000902340763 615625187 /nfs/dbraw/zinc/62/51/87/615625187.db2.gz ZQZGGSRPBDTOBO-UHFFFAOYSA-N 0 1 264.289 0.798 20 5 CCBDMN CN(C)C(=O)[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886247650 615832985 /nfs/dbraw/zinc/83/29/85/615832985.db2.gz XBFLOXVRVMSNLK-NSHDSACASA-N 0 1 278.312 0.900 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852188998 616109602 /nfs/dbraw/zinc/10/96/02/616109602.db2.gz SLDJDRCYSPTKJV-JTQLQIEISA-N 0 1 294.267 0.849 20 5 CCBDMN C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828345852 616127710 /nfs/dbraw/zinc/12/77/10/616127710.db2.gz KQTXFDGDJFWCAH-SECBINFHSA-N 0 1 283.288 0.475 20 5 CCBDMN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839720535 616134992 /nfs/dbraw/zinc/13/49/92/616134992.db2.gz LQKGJVDHZSKERF-ZDCRXTMVSA-N 0 1 256.302 0.661 20 5 CCBDMN CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000900288362 616346238 /nfs/dbraw/zinc/34/62/38/616346238.db2.gz VSFABRWNHFSHEO-GXTWGEPZSA-N 0 1 293.323 0.666 20 5 CCBDMN CN1C[C@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1=O ZINC000842455468 616436004 /nfs/dbraw/zinc/43/60/04/616436004.db2.gz DZJJBBTVTXFHRX-MRVPVSSYSA-N 0 1 281.268 0.948 20 5 CCBDMN COC(=O)[C@H](C)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840314083 616573900 /nfs/dbraw/zinc/57/39/00/616573900.db2.gz FWNNXSDBFORLGP-SZEHBUNVSA-N 0 1 270.285 0.452 20 5 CCBDMN COC(=O)[C@H]1CCCC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842331893 616651449 /nfs/dbraw/zinc/65/14/49/616651449.db2.gz OPGLYICKCKARRW-SGIHWFKDSA-N 0 1 271.269 0.927 20 5 CCBDMN COCC1(C2CC2)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000870524173 616758054 /nfs/dbraw/zinc/75/80/54/616758054.db2.gz GKPDJSCBUPPTCC-NXEZZACHSA-N 0 1 254.286 0.537 20 5 CCBDMN O=[N+]([O-])CCNC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000905026107 634787813 /nfs/dbraw/zinc/78/78/13/634787813.db2.gz NCEATPROHPOPAV-CQSZACIVSA-N 0 1 279.340 0.754 20 5 CCBDMN O=C(N[C@H]1CCCN(CCF)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000898504947 633613761 /nfs/dbraw/zinc/61/37/61/633613761.db2.gz VEOKJARKXGNIMC-IVZWLZJFSA-N 0 1 259.281 0.202 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1Cc1[nH]nc2c1COCC2 ZINC000901477398 634251374 /nfs/dbraw/zinc/25/13/74/634251374.db2.gz PBLVTAUIHHJSQD-UHFFFAOYSA-N 0 1 263.257 0.944 20 5 CCBDMN CC(C)CC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991276378 635823508 /nfs/dbraw/zinc/82/35/08/635823508.db2.gz DBJNAQWTDDYSBU-NXEZZACHSA-N 0 1 269.301 0.025 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H]1C(F)(F)F ZINC000912080822 636491441 /nfs/dbraw/zinc/49/14/41/636491441.db2.gz LPLTYHFXXGIRGJ-WYDQCIBASA-N 0 1 254.164 0.399 20 5 CCBDMN C/C=C(/C)C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010944614 650279349 /nfs/dbraw/zinc/27/93/49/650279349.db2.gz XQQBEKKOJRMCAH-GIGCTMKZSA-N 0 1 281.312 0.289 20 5 CCBDMN O=C(NC1CCN(C(=O)C(F)F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000943183128 638709921 /nfs/dbraw/zinc/70/99/21/638709921.db2.gz ZGGXTDAHULQKSE-HTQZYQBOSA-N 0 1 291.254 0.024 20 5 CCBDMN O=C(NC[C@@H](CO)Cc1ccco1)[C@@H]1CC1[N+](=O)[O-] ZINC000839515427 640316347 /nfs/dbraw/zinc/31/63/47/640316347.db2.gz ZISXIVHLOHTZTF-JMJZKYOTSA-N 0 1 268.269 0.212 20 5 CCBDMN O=C(NC1CCN(CC(F)(F)F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839596104 640345321 /nfs/dbraw/zinc/34/53/21/640345321.db2.gz QSTMPUNVIMLGJP-RKDXNWHRSA-N 0 1 295.261 0.795 20 5 CCBDMN NC(=O)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839779035 640364624 /nfs/dbraw/zinc/36/46/24/640364624.db2.gz RWBVKBGKDCLMIS-GMTAPVOTSA-N 0 1 277.280 0.385 20 5 CCBDMN O=C(Nc1ccc(O[C@@H]2CC(=O)N2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839786268 640366112 /nfs/dbraw/zinc/36/61/12/640366112.db2.gz WKQFJZKDRHSKRV-CKYFFXLPSA-N 0 1 291.263 0.515 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCO[C@@H](C(F)F)C2)c1[N+](=O)[O-] ZINC000801423793 640650118 /nfs/dbraw/zinc/65/01/18/640650118.db2.gz IDEHZRBZPBLSBH-ZCFIWIBFSA-N 0 1 290.226 0.732 20 5 CCBDMN C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Cn1ccnc1 ZINC000840357507 641320473 /nfs/dbraw/zinc/32/04/73/641320473.db2.gz JFAMIEMLYPYVEH-IVZWLZJFSA-N 0 1 252.274 0.301 20 5 CCBDMN C[C@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000828473616 642098075 /nfs/dbraw/zinc/09/80/75/642098075.db2.gz YRDXBHOJMUWZHK-JGVFFNPUSA-N 0 1 254.246 0.401 20 5 CCBDMN C[C@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000828473616 642098080 /nfs/dbraw/zinc/09/80/80/642098080.db2.gz YRDXBHOJMUWZHK-JGVFFNPUSA-N 0 1 254.246 0.401 20 5 CCBDMN O=C(N[C@@H]1CCCn2nccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000831183987 642324159 /nfs/dbraw/zinc/32/41/59/642324159.db2.gz ZHQPCROOGOBGPC-NQMVMOMDSA-N 0 1 250.258 0.499 20 5 CCBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ncnn1C ZINC000835611238 642668999 /nfs/dbraw/zinc/66/89/99/642668999.db2.gz IJFPAUFZOPCJGR-ZCFIWIBFSA-N 0 1 265.229 0.969 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ncon1 ZINC000848113442 643597111 /nfs/dbraw/zinc/59/71/11/643597111.db2.gz JODIGHUYLSQBSF-GJMOJQLCSA-N 0 1 252.230 0.398 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H](CO)C1CC1 ZINC000849379274 643735172 /nfs/dbraw/zinc/73/51/72/643735172.db2.gz RCTLRDFPBVOTOX-MRVPVSSYSA-N 0 1 287.297 0.039 20 5 CCBDMN O=C(OC[C@H]1CCC(=O)NC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000853141131 644079670 /nfs/dbraw/zinc/07/96/70/644079670.db2.gz UJKTZWRIBFFFPY-ZETCQYMHSA-N 0 1 267.241 0.606 20 5 CCBDMN C[C@@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1nnc[nH]1 ZINC000853216555 644091424 /nfs/dbraw/zinc/09/14/24/644091424.db2.gz JIUJHBUCKWGZSV-ZCFIWIBFSA-N 0 1 265.229 0.969 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CCOCCO)C1CCC1 ZINC000855142060 644290360 /nfs/dbraw/zinc/29/03/60/644290360.db2.gz SDJJZASRRCIHPB-GHMZBOCLSA-N 0 1 272.301 0.042 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](O)CC12CCC2 ZINC000857291069 644495462 /nfs/dbraw/zinc/49/54/62/644495462.db2.gz SGHUBDRMUHMLBR-OPRDCNLKSA-N 0 1 254.286 0.558 20 5 CCBDMN C[C@@H](O)[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000929271061 648723161 /nfs/dbraw/zinc/72/31/61/648723161.db2.gz TZJMXXKLOPOFHJ-BXUZGUMPSA-N 0 1 295.339 0.459 20 5 CCBDMN O=C1CCCCN1CC1CCN(CC[N+](=O)[O-])CC1 ZINC000929988246 648808820 /nfs/dbraw/zinc/80/88/20/648808820.db2.gz RHQXGFUPNRRFCP-UHFFFAOYSA-N 0 1 269.345 0.988 20 5 CCBDMN CN1CCO[C@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@H]21 ZINC001164669741 719379607 /nfs/dbraw/zinc/37/96/07/719379607.db2.gz ROKPKQBUMGOUGB-ZJUUUORDSA-N 0 1 264.285 0.509 20 5 CCBDMN CN1CCO[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@@H]21 ZINC001164669873 719400762 /nfs/dbraw/zinc/40/07/62/719400762.db2.gz VUQIWOYCVLRQRQ-WDEREUQCSA-N 0 1 279.300 0.091 20 5 CCBDMN CN1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@H]21 ZINC001164670190 719431705 /nfs/dbraw/zinc/43/17/05/719431705.db2.gz NSDOTCAOAAQZRH-MNOVXSKESA-N 0 1 279.300 0.091 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(OC2CS(=O)(=O)C2)n1 ZINC001231264183 805763771 /nfs/dbraw/zinc/76/37/71/805763771.db2.gz OLSYCAAOBFFWCO-UHFFFAOYSA-N 0 1 274.254 0.180 20 5 CCBDMN CCC[C@H]1CNCCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001122012045 799121557 /nfs/dbraw/zinc/12/15/57/799121557.db2.gz ZTDRHESTHHJVCC-NSHDSACASA-N 0 1 295.343 0.700 20 5 CCBDMN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCc1nc[nH]n1 ZINC001141333252 799999283 /nfs/dbraw/zinc/99/92/83/799999283.db2.gz HTUYGHDHCBUHOQ-UHFFFAOYSA-N 0 1 293.258 0.753 20 5 CCBDMN COc1cc(-n2c(C)ncc(CN)c2=N)ncc1[N+](=O)[O-] ZINC001156829489 801243291 /nfs/dbraw/zinc/24/32/91/801243291.db2.gz NENHPGNWQSUUKH-UHFFFAOYSA-N 0 1 290.283 0.431 20 5 CCBDMN O=[N+]([O-])c1ccc2ncc(NC[C@@H]3COCCN3)nc2c1 ZINC001159042230 801747183 /nfs/dbraw/zinc/74/71/83/801747183.db2.gz DFQOWKRTVAPNGS-SECBINFHSA-N 0 1 289.295 0.938 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])cnc1N1CC(N(C)C)C1 ZINC001163932835 802635732 /nfs/dbraw/zinc/63/57/32/802635732.db2.gz UKBVARVUBJPZJF-UHFFFAOYSA-N 0 1 280.284 0.527 20 5 CCBDMN COc1ncnc(N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC001163933697 802636222 /nfs/dbraw/zinc/63/62/22/802636222.db2.gz NMCFGAQCEPCWOY-UHFFFAOYSA-N 0 1 253.262 0.144 20 5 CCBDMN Cc1c(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cnn1C ZINC001271370684 814396042 /nfs/dbraw/zinc/39/60/42/814396042.db2.gz REKGTOMRIIXNQM-NXEZZACHSA-N 0 1 252.274 0.352 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(C)C2)n1 ZINC000166709111 803612742 /nfs/dbraw/zinc/61/27/42/803612742.db2.gz QXCQSAMVYDLYQX-QMMMGPOBSA-N 0 1 280.284 0.892 20 5 CCBDMN COC(=O)c1cc(=O)[nH]c(O[C@H](C[N+](=O)[O-])C2CC2)n1 ZINC001225730939 805155430 /nfs/dbraw/zinc/15/54/30/805155430.db2.gz QNAVUTIIXNFBBQ-MRVPVSSYSA-N 0 1 283.240 0.403 20 5 CCBDMN CC(=O)c1c[n-]c(=O)nc1O[C@@H](C)C[N+](C)(C)C ZINC001226237365 805210118 /nfs/dbraw/zinc/21/01/18/805210118.db2.gz ITQRYIYAABJXKR-QMMMGPOBSA-O 0 1 254.310 0.858 20 5 CCBDMN C[C@H](CON)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228241985 805424862 /nfs/dbraw/zinc/42/48/62/805424862.db2.gz HHSYHTWLHZOJBP-ZCFIWIBFSA-N 0 1 280.240 0.901 20 5 CCBDMN O=C1OCC[C@@H]1Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604909 805458680 /nfs/dbraw/zinc/45/86/80/805458680.db2.gz YEZMRIFNSPRDKI-LURJTMIESA-N 0 1 281.224 0.662 20 5 CCBDMN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CNCCO2)n1 ZINC001247732400 807485275 /nfs/dbraw/zinc/48/52/75/807485275.db2.gz YLSMBLYGPDUHIT-QMMMGPOBSA-N 0 1 295.230 0.840 20 5 CCBDMN O=C(CCO)CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579991 808262856 /nfs/dbraw/zinc/26/28/56/808262856.db2.gz YFJQYKJYLPBEIB-NSHDSACASA-N 0 1 264.281 0.603 20 5 CCBDMN O=C(c1csc([N+](=O)[O-])c1)N1CCNC[C@@H]1CO ZINC001263180059 809472452 /nfs/dbraw/zinc/47/24/52/809472452.db2.gz CLQVBDNGKHJCRY-MRVPVSSYSA-N 0 1 271.298 0.063 20 5 CCBDMN O=[N+]([O-])CCNCC[S@@](=O)Cc1ccccc1 ZINC000905104363 815510388 /nfs/dbraw/zinc/51/03/88/815510388.db2.gz FDRDPRBMHCJXEL-QGZVFWFLSA-N 0 1 256.327 0.802 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701051915 818890747 /nfs/dbraw/zinc/89/07/47/818890747.db2.gz QZSWORMFQHTDSP-MRVPVSSYSA-N 0 1 299.714 0.966 20 5 CCBDMN NCc1nnnn1-c1nccc2c1cccc2[N+](=O)[O-] ZINC001168917650 836048033 /nfs/dbraw/zinc/04/80/33/836048033.db2.gz MIRYBGSCTPCYDP-UHFFFAOYSA-N 0 1 271.240 0.577 20 5 CCBDMN COC(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007331 836097793 /nfs/dbraw/zinc/09/77/93/836097793.db2.gz MOAQQDYNEINFDZ-WDEREUQCSA-N 0 1 271.317 0.816 20 5 CCBDMN O=C1OC[C@H]2CN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCN12 ZINC001169033238 836108689 /nfs/dbraw/zinc/10/86/89/836108689.db2.gz BMQANXCZVCMXQN-HBNTYKKESA-N 0 1 269.301 0.568 20 5 CCBDMN COCCOC1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169050522 836117211 /nfs/dbraw/zinc/11/72/11/836117211.db2.gz BHXKATVVWBMZOU-MNOVXSKESA-N 0 1 258.318 0.779 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])cc(NC[C@H]2COCCN2)n1 ZINC001170035248 836753322 /nfs/dbraw/zinc/75/33/22/836753322.db2.gz KMEGWQKUYQYMDF-QMMMGPOBSA-N 0 1 296.283 0.177 20 5 CCBDMN COc1ncnc(N2C[C@H]3CCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC001157264845 836904868 /nfs/dbraw/zinc/90/48/68/836904868.db2.gz GDYQGPWHZUJGAL-ZJUUUORDSA-N 0 1 293.327 0.924 20 5 CCBDMN COc1ncnc(N2C[C@H]3[C@H](C2)CCCN3C)c1[N+](=O)[O-] ZINC001157264843 836905876 /nfs/dbraw/zinc/90/58/76/836905876.db2.gz GDYQGPWHZUJGAL-UWVGGRQHSA-N 0 1 293.327 0.924 20 5 CCBDMN COc1ccc(C[C@H](C)N2CC(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170353470 837308255 /nfs/dbraw/zinc/30/82/55/837308255.db2.gz YMDBSFJNIXBEOW-VIFPVBQESA-N 0 1 293.323 0.952 20 5 CCBDMN COc1ccc(C(=O)N(C)c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001130969031 837962336 /nfs/dbraw/zinc/96/23/36/837962336.db2.gz HIJHNEPEVAKVKP-UHFFFAOYSA-N 0 1 278.228 0.393 20 5 CCBDMN COc1nc(C)c([N+](=O)[O-])c(NCC2CN(C)C2)n1 ZINC001159218450 839030059 /nfs/dbraw/zinc/03/00/59/839030059.db2.gz OIVNLYDJZQRXCT-UHFFFAOYSA-N 0 1 267.289 0.675 20 5 CCBDMN COC(=O)C[C@@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001134632321 839030704 /nfs/dbraw/zinc/03/07/04/839030704.db2.gz ULGFXHSOIZXDTN-UTINFBMNSA-N 0 1 270.285 0.500 20 5 CCBDMN CC[C@](N)(CO)Nc1cnc([N+](=O)[O-])cc1C(=O)OC ZINC001170866657 839467047 /nfs/dbraw/zinc/46/70/47/839467047.db2.gz VRJBWMTZWCDYDP-LLVKDONJSA-N 0 1 284.272 0.246 20 5 CCBDMN O=C(NC1(CF)CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001160043768 839665655 /nfs/dbraw/zinc/66/56/55/839665655.db2.gz OUGHCLYLOAKELO-UHFFFAOYSA-N 0 1 272.236 0.566 20 5 CCBDMN O=C(NCCNc1ccc(F)cc1[N+](=O)[O-])c1ncn[nH]1 ZINC001093793510 841459145 /nfs/dbraw/zinc/45/91/45/841459145.db2.gz UFDLLPFGTYSBDI-UHFFFAOYSA-N 0 1 294.246 0.694 20 5 CCBDMN O=C(NCCNc1ccc(F)cc1[N+](=O)[O-])c1nc[nH]n1 ZINC001093793510 841459150 /nfs/dbraw/zinc/45/91/50/841459150.db2.gz UFDLLPFGTYSBDI-UHFFFAOYSA-N 0 1 294.246 0.694 20 5 CCBDMN Cc1cnc(NCCNC(=O)c2cnn[nH]2)c([N+](=O)[O-])c1 ZINC001094241942 841566341 /nfs/dbraw/zinc/56/63/41/841566341.db2.gz FUMWQKOAPXJGKJ-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN Cc1cc(NCCNC(=O)c2cnn[nH]2)ncc1[N+](=O)[O-] ZINC001094243505 841568909 /nfs/dbraw/zinc/56/89/09/841568909.db2.gz RXQZKIWFVVGASM-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN O=C(NCCCNc1ccccc1[N+](=O)[O-])c1ncn[nH]1 ZINC001094533078 841659925 /nfs/dbraw/zinc/65/99/25/841659925.db2.gz GNKGRULGWJRJRG-UHFFFAOYSA-N 0 1 290.283 0.945 20 5 CCBDMN O=C(NCCCNc1ccccc1[N+](=O)[O-])c1nc[nH]n1 ZINC001094533078 841659932 /nfs/dbraw/zinc/65/99/32/841659932.db2.gz GNKGRULGWJRJRG-UHFFFAOYSA-N 0 1 290.283 0.945 20 5 CCBDMN O=C(N[C@H]1CN2CCC1CC2)c1c[nH]nc1[N+](=O)[O-] ZINC001176467923 842372944 /nfs/dbraw/zinc/37/29/44/842372944.db2.gz UMUUPMVAQBWUSM-VIFPVBQESA-N 0 1 265.273 0.142 20 5 CCBDMN COC(=O)[C@H]1CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC001179037683 842963186 /nfs/dbraw/zinc/96/31/86/842963186.db2.gz YYEFHQZTBXRTBY-SSDOTTSWSA-N 0 1 296.283 0.829 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CC[C@@](O)(C(F)F)C2)c1 ZINC001194477412 846304858 /nfs/dbraw/zinc/30/48/58/846304858.db2.gz LHHPQRDVBCDISC-JTQLQIEISA-N 0 1 276.243 0.493 20 5 CCBDMN O=C(NCCN1CC=CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001116202685 855730132 /nfs/dbraw/zinc/73/01/32/855730132.db2.gz SHLWVGVQLWPKKA-UHFFFAOYSA-N 0 1 278.268 0.297 20 5 CCBDMN Cc1nnc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC001116516504 855781400 /nfs/dbraw/zinc/78/14/00/855781400.db2.gz HVOLMCSIPMGLMQ-UHFFFAOYSA-N 0 1 268.258 0.408 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC001116835179 855843017 /nfs/dbraw/zinc/84/30/17/855843017.db2.gz ACZPFVFRNQDEHR-LBPRGKRZSA-N 0 1 280.284 0.613 20 5 CCBDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1[nH]ncc1[N+](=O)[O-] ZINC001324677743 912979514 /nfs/dbraw/zinc/97/95/14/912979514.db2.gz ZUKFTVHHMJNFCS-ZCFIWIBFSA-N 0 1 276.256 0.328 20 5 CCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nccs1 ZINC001482596237 894367174 /nfs/dbraw/zinc/36/71/74/894367174.db2.gz LFKWIFVFQNJDBL-NXEZZACHSA-N 0 1 298.368 0.699 20 5 CCBDMN O=C(NC/C=C/CNCc1nccs1)[C@@H]1CC1[N+](=O)[O-] ZINC001483006988 894794674 /nfs/dbraw/zinc/79/46/74/894794674.db2.gz CLXLZSCFQBKHEX-UFLMBTITSA-N 0 1 296.352 0.570 20 5 CCBDMN CC(C)=CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001489817204 900525202 /nfs/dbraw/zinc/52/52/02/900525202.db2.gz KHYVLAVDGLWIHF-WRWGMCAJSA-N 0 1 295.339 0.629 20 5 CCBDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001327366711 902144706 /nfs/dbraw/zinc/14/47/06/902144706.db2.gz CSJWYMOUNJRZJH-WPRPVWTQSA-N 0 1 268.273 0.586 20 5 CCBDMN Cc1ccoc1CC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001292717268 906331593 /nfs/dbraw/zinc/33/15/93/906331593.db2.gz FXDDWGZMFHMWER-NXEZZACHSA-N 0 1 295.295 0.028 20 5 CCBDMN CCN1CC[C@@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001303018568 908059706 /nfs/dbraw/zinc/05/97/06/908059706.db2.gz DDHRLJRKAZXCTM-ZCFIWIBFSA-N 0 1 287.707 0.795 20 5 CCBDMN COC(=O)[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001303781359 908111728 /nfs/dbraw/zinc/11/17/28/908111728.db2.gz AHUFIPGGFNVRBV-RQJHMYQMSA-N 0 1 282.256 0.389 20 5 CCBDMN C[C@H]1[C@@H](O)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001307774033 908342671 /nfs/dbraw/zinc/34/26/71/908342671.db2.gz CNDJBLWOICJKKE-UFBFGSQYSA-N 0 1 279.296 0.649 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2CC[C@H](O)[C@@H](CO)C2)c1 ZINC001307850545 908356223 /nfs/dbraw/zinc/35/62/23/908356223.db2.gz SGOILDPYQDICRA-RISCZKNCSA-N 0 1 296.323 0.649 20 5 CCBDMN Cc1cc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])on1 ZINC001309100112 908454165 /nfs/dbraw/zinc/45/41/65/908454165.db2.gz CHYRSERYEAFNJD-UHFFFAOYSA-N 0 1 298.280 0.765 20 5 CCBDMN CC(C)(C)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001322421815 911795173 /nfs/dbraw/zinc/79/51/73/911795173.db2.gz PGKIJNKLEFYFFD-UHFFFAOYSA-N 0 1 281.316 0.874 20 5 CCBDMN CN(Cc1cnc[nH]1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001328638400 915325732 /nfs/dbraw/zinc/32/57/32/915325732.db2.gz DCAJRMWXFHDCQJ-UHFFFAOYSA-N 0 1 264.245 0.324 20 5 CCBDMN O=C(NCCN1CC=CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001330574315 916708670 /nfs/dbraw/zinc/70/86/70/916708670.db2.gz BRLYLAHKZFYSNI-ZDUSSCGKSA-N 0 1 291.307 0.616 20 5 CCBDMN CC(C)(CCC(=O)N1CC[C@@H](c2nc[nH]n2)C1)[N+](=O)[O-] ZINC001332036771 917818088 /nfs/dbraw/zinc/81/80/88/917818088.db2.gz IWMHWBHUFMUWML-SECBINFHSA-N 0 1 281.316 0.956 20 5 CCBDMN O=C(COc1cc(F)cc([N+](=O)[O-])c1)N1CCNCC1 ZINC001332134159 917891083 /nfs/dbraw/zinc/89/10/83/917891083.db2.gz BQWOBXYTKGXAPD-UHFFFAOYSA-N 0 1 283.259 0.545 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1NCC(C)(C)N1CCN(C)CC1 ZINC001334123277 919382222 /nfs/dbraw/zinc/38/22/22/919382222.db2.gz JJFAKFODNTZAMW-UHFFFAOYSA-N 0 1 296.375 0.766 20 5 CCBDMN COC[C@H](N)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001341592415 922571314 /nfs/dbraw/zinc/57/13/14/922571314.db2.gz GRMBPYCEHKNHPI-NSHDSACASA-N 0 1 265.269 0.411 20 5 CCBDMN Cc1cc(C(=O)N2CCNC[C@H]2CO)cc([N+](=O)[O-])c1 ZINC001344517296 923619939 /nfs/dbraw/zinc/61/99/39/923619939.db2.gz KZMODCVPIQMMOL-LBPRGKRZSA-N 0 1 279.296 0.310 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N[C@H]1CN2CCC1CC2 ZINC001354313339 926081299 /nfs/dbraw/zinc/08/12/99/926081299.db2.gz MMJVXPGVBSCPBW-VIFPVBQESA-N 0 1 251.290 0.834 20 5 CCBDMN CCC1(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001357808480 926600332 /nfs/dbraw/zinc/60/03/32/926600332.db2.gz LDQBONXJCCZZNM-ANDSXOESSA-N 0 1 295.339 0.630 20 5 CCBDMN Cn1cc(CN2CCC[C@H](CC(N)=O)C2)c([N+](=O)[O-])n1 ZINC001559588321 926932212 /nfs/dbraw/zinc/93/22/12/926932212.db2.gz AFJGJJGIMCVJNY-SECBINFHSA-N 0 1 281.316 0.416 20 5 CCBDMN Cn1cc(CN2CCC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])n1 ZINC001559588331 926934260 /nfs/dbraw/zinc/93/42/60/926934260.db2.gz AFJGJJGIMCVJNY-VIFPVBQESA-N 0 1 281.316 0.416 20 5 CCBDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC001574275699 960634412 /nfs/dbraw/zinc/63/44/12/960634412.db2.gz ZGSLHVKWPPRIPH-VXNVDRBHSA-N 0 1 268.273 0.766 20 5 CCBDMN Cn1cc(C[N@@H+](CC(=O)[O-])C2CCC2)c([N+](=O)[O-])n1 ZINC001605491327 973651787 /nfs/dbraw/zinc/65/17/87/973651787.db2.gz YAGDIPLMAXXEER-UHFFFAOYSA-N 0 1 268.273 0.767 20 5 CCBDMN C[N@@H+](CCNC(=O)c1csc([N+](=O)[O-])c1)CC(=O)[O-] ZINC001598495442 992352811 /nfs/dbraw/zinc/35/28/11/992352811.db2.gz KUAHPBNZHFCKKN-UHFFFAOYSA-N 0 1 287.297 0.403 20 5 CCBDMN C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598504148 992477667 /nfs/dbraw/zinc/47/76/67/992477667.db2.gz SOEDOUQGIQJECE-JGZJWPJOSA-N 0 1 295.295 0.552 20 5 CCBDMN C[N@H+]1CCN(Cc2cccnc2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001598621963 994020664 /nfs/dbraw/zinc/02/06/64/994020664.db2.gz XFIGLWYEGSMNRJ-NSHDSACASA-N 0 1 294.311 0.438 20 5 CCBDMN C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)NCC(=O)[O-] ZINC001593354172 994987643 /nfs/dbraw/zinc/98/76/43/994987643.db2.gz JOSBHONQIWBDJD-RKDXNWHRSA-N 0 1 295.295 0.835 20 5 CCBDMN CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599324417 997637239 /nfs/dbraw/zinc/63/72/39/997637239.db2.gz WKROZHYZNWNGNK-ZYHUDNBSSA-N 0 1 296.279 0.796 20 5 CCBDMN C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC001594167389 998644777 /nfs/dbraw/zinc/64/47/77/998644777.db2.gz PHWUIGOWWICSRY-JGVFFNPUSA-N 0 1 254.246 0.544 20 5 CCBDMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC001594167389 998644785 /nfs/dbraw/zinc/64/47/85/998644785.db2.gz PHWUIGOWWICSRY-JGVFFNPUSA-N 0 1 254.246 0.544 20 5 CCBDMN CCc1nn(C)c(NCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000091561861 349467361 /nfs/dbraw/zinc/46/73/61/349467361.db2.gz CLJQGDNDSGNHIN-UHFFFAOYSA-N 0 1 296.375 0.550 20 5 CCBDMN CC(C)(CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000124837015 187156747 /nfs/dbraw/zinc/15/67/47/187156747.db2.gz ONZIDRSPAVNVHF-UHFFFAOYSA-N 0 1 278.268 0.972 20 5 CCBDMN Cc1nn(CCC(=O)N2CCNC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000125597930 187192158 /nfs/dbraw/zinc/19/21/58/187192158.db2.gz GZMMYFZDQUETBG-VIFPVBQESA-N 0 1 295.343 0.619 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000600810569 362067411 /nfs/dbraw/zinc/06/74/11/362067411.db2.gz ZZBRWPYTPFYMJQ-JTQLQIEISA-N 0 1 295.295 0.097 20 5 CCBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1COCCN1 ZINC000602552483 362674896 /nfs/dbraw/zinc/67/48/96/362674896.db2.gz SPFTVNZKPHWRPY-NSHDSACASA-N 0 1 293.323 0.930 20 5 CCBDMN C[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@H]1CO ZINC000602818664 362816587 /nfs/dbraw/zinc/81/65/87/362816587.db2.gz WLCHWJCAHICADH-SCZZXKLOSA-N 0 1 254.290 0.531 20 5 CCBDMN NC1(c2noc(Cn3cc([N+](=O)[O-])cn3)n2)CCCC1 ZINC000261634657 137013317 /nfs/dbraw/zinc/01/33/17/137013317.db2.gz CVHUZXLQAYKQQK-UHFFFAOYSA-N 0 1 278.272 0.951 20 5 CCBDMN COC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000262195731 137030727 /nfs/dbraw/zinc/03/07/27/137030727.db2.gz CPYZWFXENIKWTC-GFCCVEGCSA-N 0 1 279.296 0.453 20 5 CCBDMN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1 ZINC000263248775 137061628 /nfs/dbraw/zinc/06/16/28/137061628.db2.gz OAMIHNLPSALOHB-UHFFFAOYSA-N 0 1 253.262 0.142 20 5 CCBDMN C[C@](O)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000343490195 137138517 /nfs/dbraw/zinc/13/85/17/137138517.db2.gz DVWWEDYEQQCCFK-JTQLQIEISA-N 0 1 254.246 0.209 20 5 CCBDMN C[C@H](O)C[C@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343961238 137170687 /nfs/dbraw/zinc/17/06/87/137170687.db2.gz SZRVKHBGHVFEJF-BQBZGAKWSA-N 0 1 256.262 0.455 20 5 CCBDMN O=C(NCc1cscn1)c1n[nH]cc1[N+](=O)[O-] ZINC000343348794 137130153 /nfs/dbraw/zinc/13/01/53/137130153.db2.gz AVFMLQUQLURWEC-UHFFFAOYSA-N 0 1 253.243 0.704 20 5 CCBDMN C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000026857240 348095810 /nfs/dbraw/zinc/09/58/10/348095810.db2.gz GFGBBDCOWPJHJR-VIFPVBQESA-N 0 1 287.341 0.823 20 5 CCBDMN CCCc1n[nH]c(C(=O)NCc2nnc[nH]2)c1[N+](=O)[O-] ZINC000345683883 137245952 /nfs/dbraw/zinc/24/59/52/137245952.db2.gz UIVYUHGUBNJGDA-UHFFFAOYSA-N 0 1 279.260 0.319 20 5 CCBDMN C[C@](CO)(NC[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602962046 362911042 /nfs/dbraw/zinc/91/10/42/362911042.db2.gz FKBNXRKVIRQDFM-UONOGXRCSA-N 0 1 296.323 0.807 20 5 CCBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](O)CO ZINC000347499450 137339502 /nfs/dbraw/zinc/33/95/02/137339502.db2.gz KNQXMFPVMSGZLG-NSHDSACASA-N 0 1 270.285 0.436 20 5 CCBDMN COc1ccc(CNC(CO)CO)cc1[N+](=O)[O-] ZINC000087752830 179481865 /nfs/dbraw/zinc/48/18/65/179481865.db2.gz HXXWVWQDHVZHCB-UHFFFAOYSA-N 0 1 256.258 0.046 20 5 CCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2nc[nH]n2)cc1 ZINC000080624035 349223010 /nfs/dbraw/zinc/22/30/10/349223010.db2.gz OTHUUNYLCRLGPO-UHFFFAOYSA-N 0 1 297.296 0.234 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000079962437 349196948 /nfs/dbraw/zinc/19/69/48/349196948.db2.gz HTOGHMQIFHCRRT-NSHDSACASA-N 0 1 295.343 0.487 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000089975761 349417589 /nfs/dbraw/zinc/41/75/89/349417589.db2.gz GNGRUHHDATWJSK-SECBINFHSA-N 0 1 280.284 0.877 20 5 CCBDMN CCOC(=O)[C@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000133892073 350347570 /nfs/dbraw/zinc/34/75/70/350347570.db2.gz MNBAFAFUTIYLCV-ZCFIWIBFSA-N 0 1 270.245 0.247 20 5 CCBDMN CCC[C@@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC000136590302 350424831 /nfs/dbraw/zinc/42/48/31/350424831.db2.gz UHGFPRGCHHPKDO-LLVKDONJSA-N 0 1 284.272 0.780 20 5 CCBDMN Cc1cccnc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152736387 350539659 /nfs/dbraw/zinc/53/96/59/350539659.db2.gz DXRVWAHYQOPADU-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000153875763 350565535 /nfs/dbraw/zinc/56/55/35/350565535.db2.gz ZKPKBHYLAJXXOP-NSHDSACASA-N 0 1 295.343 0.590 20 5 CCBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172553949 350992899 /nfs/dbraw/zinc/99/28/99/350992899.db2.gz LGAKJMBPJVVLNC-LBPRGKRZSA-N 0 1 295.343 0.590 20 5 CCBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1COCCN1 ZINC000235761508 352187871 /nfs/dbraw/zinc/18/78/71/352187871.db2.gz ASUWNEWAIQTNBE-JTQLQIEISA-N 0 1 279.296 0.621 20 5 CCBDMN O=C(Nc1nn2cnnc2s1)c1ccc([N+](=O)[O-])s1 ZINC000603467403 363134265 /nfs/dbraw/zinc/13/42/65/363134265.db2.gz BBTHAMKFVSKWBA-UHFFFAOYSA-N 0 1 296.293 0.830 20 5 CCBDMN CCN1CCCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000264806709 352599056 /nfs/dbraw/zinc/59/90/56/352599056.db2.gz VCXJPJGNVCHABZ-UHFFFAOYSA-N 0 1 281.316 0.794 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000270074252 352901288 /nfs/dbraw/zinc/90/12/88/352901288.db2.gz KCKROBYPXWXWFC-IUCAKERBSA-N 0 1 282.300 0.859 20 5 CCBDMN COC(=O)[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272492302 353068283 /nfs/dbraw/zinc/06/82/83/353068283.db2.gz CHXAJJGHPGRHAT-QMMMGPOBSA-N 0 1 294.263 0.936 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)n1 ZINC000272664006 353083657 /nfs/dbraw/zinc/08/36/57/353083657.db2.gz RWLJUUWXVKMLNL-UWVGGRQHSA-N 0 1 293.327 0.495 20 5 CCBDMN CCCCN(CCn1cc([N+](=O)[O-])cn1)CC(N)=O ZINC000157678842 188331860 /nfs/dbraw/zinc/33/18/60/188331860.db2.gz YBICXGKTPKUZIW-UHFFFAOYSA-N 0 1 269.305 0.379 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC(O)(CC)C2)c1[N+](=O)[O-] ZINC000282974750 353469665 /nfs/dbraw/zinc/46/96/65/353469665.db2.gz SNBWFEBHHCDBFN-UHFFFAOYSA-N 0 1 282.300 0.867 20 5 CCBDMN COC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000556807941 291008892 /nfs/dbraw/zinc/00/88/92/291008892.db2.gz ZCYYOEFNBKKOND-GFCCVEGCSA-N 0 1 296.327 0.119 20 5 CCBDMN CC1(C)[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000163863632 188616836 /nfs/dbraw/zinc/61/68/36/188616836.db2.gz VSRHTLUNFGRLRB-DRTBCBBWSA-N 0 1 280.284 0.861 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCC(=O)NC12CCC2 ZINC000338638856 355388257 /nfs/dbraw/zinc/38/82/57/355388257.db2.gz YKSOTCXJYNAHCS-SNVBAGLBSA-N 0 1 293.327 0.619 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@](F)(CO)C2)c1[N+](=O)[O-] ZINC000338741456 355409450 /nfs/dbraw/zinc/40/94/50/355409450.db2.gz CAECREDCIWJWLT-SNVBAGLBSA-N 0 1 272.236 0.173 20 5 CCBDMN COCC[N@H+]1CC[C@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000341119392 355609938 /nfs/dbraw/zinc/60/99/38/355609938.db2.gz BXNTXEHFVOFWGW-JTQLQIEISA-N 0 1 266.301 0.544 20 5 CCBDMN COCCN1CC[C@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000341119392 355609940 /nfs/dbraw/zinc/60/99/40/355609940.db2.gz BXNTXEHFVOFWGW-JTQLQIEISA-N 0 1 266.301 0.544 20 5 CCBDMN Cc1sc(C(=O)NC2(c3nn[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000348281256 355903314 /nfs/dbraw/zinc/90/33/14/355903314.db2.gz KKKDBLBXQWVLJP-UHFFFAOYSA-N 0 1 294.296 0.897 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@H]1CN1CCCC1=O ZINC000363518184 138090969 /nfs/dbraw/zinc/09/09/69/138090969.db2.gz RZRFRKMKTRWXNN-QJPTWQEYSA-N 0 1 295.339 0.655 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000609257676 363480828 /nfs/dbraw/zinc/48/08/28/363480828.db2.gz HRYUXEHYSOLVNE-SECBINFHSA-N 0 1 281.316 0.461 20 5 CCBDMN COCCN1CCC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000609268945 363486383 /nfs/dbraw/zinc/48/63/83/363486383.db2.gz ADJYZARGJQZUPK-VIFPVBQESA-N 0 1 296.331 0.320 20 5 CCBDMN COCCN1CCC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000619787496 366352860 /nfs/dbraw/zinc/35/28/60/366352860.db2.gz RHMPKVAUKZFECJ-SECBINFHSA-N 0 1 297.315 0.159 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(N2CCCNC2=O)CC1 ZINC000366723367 357233743 /nfs/dbraw/zinc/23/37/43/357233743.db2.gz ZSDGXNJBTJJIJX-GHMZBOCLSA-N 0 1 296.327 0.058 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@H](C)C2)c1[N+](=O)[O-] ZINC000366853432 357245285 /nfs/dbraw/zinc/24/52/85/357245285.db2.gz PHCNVIUCJIFYBN-MRVPVSSYSA-N 0 1 282.300 0.989 20 5 CCBDMN O=[N+]([O-])c1ccc(OCCN2C[C@H](O)C[C@H](O)C2)cc1 ZINC000610604465 363584748 /nfs/dbraw/zinc/58/47/48/363584748.db2.gz UFAQYBGWQBABGG-TXEJJXNPSA-N 0 1 282.296 0.401 20 5 CCBDMN Cc1nc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450794518 236112505 /nfs/dbraw/zinc/11/25/05/236112505.db2.gz NQJCUMISAPWUTM-AOOOYVTPSA-N 0 1 295.343 0.585 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCO[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000408279233 358005583 /nfs/dbraw/zinc/00/55/83/358005583.db2.gz IKMVENXYILMHHA-LBPRGKRZSA-N 0 1 296.283 0.258 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C[C@@H](O)C2CC2)c1[N+](=O)[O-] ZINC000610670021 363594714 /nfs/dbraw/zinc/59/47/14/363594714.db2.gz XYIATKDHJCUPJY-MRVPVSSYSA-N 0 1 268.273 0.469 20 5 CCBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1c[nH]nn1 ZINC000610669486 363594625 /nfs/dbraw/zinc/59/46/25/363594625.db2.gz OPJADPLNHPZFOZ-UHFFFAOYSA-N 0 1 275.268 0.962 20 5 CCBDMN O=C(NC[C@H]1CCCCN1CCO)c1ccc([N+](=O)[O-])[nH]1 ZINC000452802114 236261970 /nfs/dbraw/zinc/26/19/70/236261970.db2.gz USPFTEALARAXCH-SNVBAGLBSA-N 0 1 296.327 0.500 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])cn1)CCN1CCCC1=O ZINC000531101153 358441028 /nfs/dbraw/zinc/44/10/28/358441028.db2.gz ITTUIUPQTHAQSI-UHFFFAOYSA-N 0 1 281.316 0.346 20 5 CCBDMN Cc1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000569952843 358809166 /nfs/dbraw/zinc/80/91/66/358809166.db2.gz XLPOOEKPKYDKMS-ZCFIWIBFSA-N 0 1 276.256 0.907 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000588849549 359341122 /nfs/dbraw/zinc/34/11/22/359341122.db2.gz VJPRWUOJJKCSTF-UHFFFAOYSA-N 0 1 278.224 0.956 20 5 CCBDMN Cc1ccc(C(=O)Nc2n[nH]c3ncnn23)cc1[N+](=O)[O-] ZINC000590378912 359447032 /nfs/dbraw/zinc/44/70/32/359447032.db2.gz GONYYTUXPIFCCV-UHFFFAOYSA-N 0 1 287.239 0.921 20 5 CCBDMN C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592290628 359812451 /nfs/dbraw/zinc/81/24/51/359812451.db2.gz NWSRBCRUJVDMAM-UHFFFAOYSA-N 0 1 254.246 0.035 20 5 CCBDMN CC(C)[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592298385 359813166 /nfs/dbraw/zinc/81/31/66/359813166.db2.gz JOMYRGNVVQVLBH-SECBINFHSA-N 0 1 268.273 0.409 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN1 ZINC000563165020 291202073 /nfs/dbraw/zinc/20/20/73/291202073.db2.gz XXTJFEXHNQHEQF-QMMMGPOBSA-N 0 1 293.279 0.757 20 5 CCBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593746532 360146583 /nfs/dbraw/zinc/14/65/83/360146583.db2.gz RZUHKOCEWJDOMB-PWSUYJOCSA-N 0 1 298.299 0.091 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C[C@@H](C)O)C2CC2)c1[N+](=O)[O-] ZINC000594416526 360297993 /nfs/dbraw/zinc/29/79/93/360297993.db2.gz XAUFLGGMVGKGRM-ZCFIWIBFSA-N 0 1 268.273 0.612 20 5 CCBDMN CSCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594742772 360372014 /nfs/dbraw/zinc/37/20/14/360372014.db2.gz AIUFCRBYGWAUIR-UHFFFAOYSA-N 0 1 277.327 0.631 20 5 CCBDMN CC(C)(CO)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594773806 360380723 /nfs/dbraw/zinc/38/07/23/360380723.db2.gz BOWUCLGXGRWGJV-UHFFFAOYSA-N 0 1 289.313 0.287 20 5 CCBDMN Cc1noc(CN2CCN3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000595561526 360580937 /nfs/dbraw/zinc/58/09/37/360580937.db2.gz MURRINKQEJLUIQ-VHSXEESVSA-N 0 1 282.300 0.142 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1COCCO1 ZINC000595736489 360634818 /nfs/dbraw/zinc/63/48/18/360634818.db2.gz LXLPZOGYJXJHFO-LBPRGKRZSA-N 0 1 297.311 0.104 20 5 CCBDMN C[C@H](NC(=O)C1(O)CNC1)c1cccc([N+](=O)[O-])c1 ZINC000595926385 360706780 /nfs/dbraw/zinc/70/67/80/360706780.db2.gz CXOKZZRGRZYSES-QMMMGPOBSA-N 0 1 265.269 0.106 20 5 CCBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](O)C2)c1 ZINC000178860413 189150798 /nfs/dbraw/zinc/15/07/98/189150798.db2.gz KMZQVWOBPVPRMI-RYUDHWBXSA-N 0 1 252.270 0.695 20 5 CCBDMN CCN1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596050605 360781159 /nfs/dbraw/zinc/78/11/59/360781159.db2.gz MBNPYZVZCVEZKS-UHFFFAOYSA-N 0 1 252.274 0.837 20 5 CCBDMN C[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]C1 ZINC000596050707 360781315 /nfs/dbraw/zinc/78/13/15/360781315.db2.gz NJYKJEKJBSIYFK-VIFPVBQESA-N 0 1 291.354 0.687 20 5 CCBDMN C[C@@H](O)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000178906573 189154212 /nfs/dbraw/zinc/15/42/12/189154212.db2.gz ZLWQJDHUDKIWSD-SSDOTTSWSA-N 0 1 292.288 0.783 20 5 CCBDMN C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)[C@H](C)CN1CCO ZINC000596275143 360864427 /nfs/dbraw/zinc/86/44/27/360864427.db2.gz NOVVKPIDSNWAEF-NXEZZACHSA-N 0 1 295.343 0.463 20 5 CCBDMN CNC(=O)NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180435762 189255076 /nfs/dbraw/zinc/25/50/76/189255076.db2.gz VMMBTKOFPHLVHK-MRVPVSSYSA-N 0 1 280.284 0.701 20 5 CCBDMN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597945965 361288735 /nfs/dbraw/zinc/28/87/35/361288735.db2.gz LIPRPBXPBVWVCK-JTQLQIEISA-N 0 1 295.343 0.977 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000598165538 361346055 /nfs/dbraw/zinc/34/60/55/361346055.db2.gz YJYNXXGIRGIEOL-UHFFFAOYSA-N 0 1 253.258 0.821 20 5 CCBDMN O=[N+]([O-])c1cnn(CCNc2ncnc3[nH]cnc32)c1 ZINC000301703412 201147922 /nfs/dbraw/zinc/14/79/22/201147922.db2.gz FJATWCTYSYOTQK-UHFFFAOYSA-N 0 1 274.244 0.570 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC2(C)C)n1 ZINC000599246051 361619479 /nfs/dbraw/zinc/61/94/79/361619479.db2.gz YYGQNWGLMKLRIQ-SSDOTTSWSA-N 0 1 288.329 0.653 20 5 CCBDMN CC1CC(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599248087 361619562 /nfs/dbraw/zinc/61/95/62/361619562.db2.gz GZKOYFQOPZBAMR-UHFFFAOYSA-N 0 1 274.302 0.405 20 5 CCBDMN CC(C)=CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599290348 361636034 /nfs/dbraw/zinc/63/60/34/361636034.db2.gz TZINIDYVCGAJHK-UHFFFAOYSA-N 0 1 274.302 0.573 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(C)CC=CC2)n1 ZINC000599337420 361659519 /nfs/dbraw/zinc/65/95/19/361659519.db2.gz VYSRQCTZMXZDBM-UHFFFAOYSA-N 0 1 286.313 0.715 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CC[C@@H](n3cncn3)C2)n1 ZINC000614419189 364599846 /nfs/dbraw/zinc/59/98/46/364599846.db2.gz YWCIDIQRXDWTLH-SNVBAGLBSA-N 0 1 277.288 0.330 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1c1ccco1 ZINC000370904559 296073516 /nfs/dbraw/zinc/07/35/16/296073516.db2.gz KEHMVNCGBPDNJU-OPRDCNLKSA-N 0 1 266.253 0.845 20 5 CCBDMN CC(=O)NC1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000276127573 193221095 /nfs/dbraw/zinc/22/10/95/193221095.db2.gz CGEQHBLZISJYLP-UHFFFAOYSA-N 0 1 279.252 0.261 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)n1 ZINC000276384867 193310563 /nfs/dbraw/zinc/31/05/63/193310563.db2.gz QOZCKPMQEUOGGA-UHFFFAOYSA-N 0 1 290.283 0.576 20 5 CCBDMN CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H]1CC[NH2+]C1 ZINC000567829529 291522046 /nfs/dbraw/zinc/52/20/46/291522046.db2.gz ZAFZHFDVNQHGSP-ZETCQYMHSA-N 0 1 266.257 0.129 20 5 CCBDMN CC[NH2+]CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000574517576 335025853 /nfs/dbraw/zinc/02/58/53/335025853.db2.gz BQEQRIAGYWHZEU-UHFFFAOYSA-N 0 1 293.370 0.934 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CC[C@H](N3CC=CC3)C2)nc1 ZINC000273591765 285176883 /nfs/dbraw/zinc/17/68/83/285176883.db2.gz HMOSMACXAKPWGZ-JTQLQIEISA-N 0 1 261.285 0.835 20 5 CCBDMN CCN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000288649352 197136658 /nfs/dbraw/zinc/13/66/58/197136658.db2.gz ZQOSURHPWFTGEF-LLVKDONJSA-N 0 1 295.343 0.734 20 5 CCBDMN CNC(=O)CCCN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000338118013 389075409 /nfs/dbraw/zinc/07/54/09/389075409.db2.gz KZJBREPKCCGRBT-UHFFFAOYSA-N 0 1 283.288 0.225 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000299443482 389041570 /nfs/dbraw/zinc/04/15/70/389041570.db2.gz LTPRYGQVNRCRQW-NKWVEPMBSA-N 0 1 268.273 0.876 20 5 CCBDMN COCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000340961848 389170702 /nfs/dbraw/zinc/17/07/02/389170702.db2.gz FKSMCFIBWLPHAV-JTQLQIEISA-N 0 1 296.327 0.384 20 5 CCBDMN CCCC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000363432620 389248076 /nfs/dbraw/zinc/24/80/76/389248076.db2.gz MUMVEHYJTJYSIJ-GHMZBOCLSA-N 0 1 283.328 0.513 20 5 CCBDMN C[C@H](CN1CCN(C)CC1)Nc1c([N+](=O)[O-])ncn1C ZINC000264438648 389328877 /nfs/dbraw/zinc/32/88/77/389328877.db2.gz WENYGMAWQWANNG-SNVBAGLBSA-N 0 1 282.348 0.376 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000365758183 389286427 /nfs/dbraw/zinc/28/64/27/389286427.db2.gz MDZVDEFTCNBENJ-GMTAPVOTSA-N 0 1 284.312 0.448 20 5 CCBDMN C[C@H](O)CN1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000331053014 389297999 /nfs/dbraw/zinc/29/79/99/389297999.db2.gz JHHWDLDJWHLXAQ-QWRGUYRKSA-N 0 1 297.359 0.215 20 5 CCBDMN C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)N1 ZINC000153672941 389305868 /nfs/dbraw/zinc/30/58/68/389305868.db2.gz XRPWMOGOUANFPI-NXEZZACHSA-N 0 1 281.316 0.390 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000331560885 389308116 /nfs/dbraw/zinc/30/81/16/389308116.db2.gz VAJDXGNZWFEODS-AEJSXWLSSA-N 0 1 294.311 0.859 20 5 CCBDMN COCC(C)(C)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000425277885 389643967 /nfs/dbraw/zinc/64/39/67/389643967.db2.gz JEMBPPCECULISD-UHFFFAOYSA-N 0 1 295.343 0.932 20 5 CCBDMN C[C@H]1CNCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415345420 389675628 /nfs/dbraw/zinc/67/56/28/389675628.db2.gz POVGXAGBJKHNSS-VIFPVBQESA-N 0 1 292.295 0.354 20 5 CCBDMN CC(C)[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1nncn1C ZINC000352457722 389813733 /nfs/dbraw/zinc/81/37/33/389813733.db2.gz DZAKDRHNKJOFOU-LLVKDONJSA-N 0 1 293.331 0.907 20 5 CCBDMN C[C@H]1COCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000432569196 389883950 /nfs/dbraw/zinc/88/39/50/389883950.db2.gz OPRREGMFPGDBIX-NKWVEPMBSA-N 0 1 254.246 0.473 20 5 CCBDMN CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)CC[C@H]1O ZINC000446059174 389928677 /nfs/dbraw/zinc/92/86/77/389928677.db2.gz IBSZQOXODZSKCV-LLVKDONJSA-N 0 1 268.317 0.884 20 5 CCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000446336059 389933957 /nfs/dbraw/zinc/93/39/57/389933957.db2.gz DFKMVZLUUKUTIT-UHFFFAOYSA-N 0 1 288.267 0.835 20 5 CCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC1(c2nn[nH]n2)CC1 ZINC000446336059 389933958 /nfs/dbraw/zinc/93/39/58/389933958.db2.gz DFKMVZLUUKUTIT-UHFFFAOYSA-N 0 1 288.267 0.835 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(OC(F)F)C2)c1[N+](=O)[O-] ZINC000437560297 389994375 /nfs/dbraw/zinc/99/43/75/389994375.db2.gz QSWBFVWTJFSIHE-UHFFFAOYSA-N 0 1 290.226 0.944 20 5 CCBDMN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CCN1C ZINC000489405031 390100040 /nfs/dbraw/zinc/10/00/40/390100040.db2.gz TVQIVFDNNATYKD-LLVKDONJSA-N 0 1 295.343 0.741 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](CO)[C@H](O)C1 ZINC000555669732 390462748 /nfs/dbraw/zinc/46/27/48/390462748.db2.gz APOKZBMMTFOCAY-WCQYABFASA-N 0 1 296.323 0.649 20 5 CCBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000578109490 390864843 /nfs/dbraw/zinc/86/48/43/390864843.db2.gz KMIJMESBCCAXBQ-AAEUAGOBSA-N 0 1 266.297 0.770 20 5 CCBDMN O=C(NC[C@@H](O)C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000268436131 132008796 /nfs/dbraw/zinc/00/87/96/132008796.db2.gz SOEKZRIAZYLHFG-LLVKDONJSA-N 0 1 290.279 0.972 20 5 CCBDMN O=C(NN1CCCCC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269213097 132133048 /nfs/dbraw/zinc/13/30/48/132133048.db2.gz WWBKUQCDXLMSLQ-UHFFFAOYSA-N 0 1 279.252 0.958 20 5 CCBDMN CN(Cc1nc[nH]n1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356600045 144017973 /nfs/dbraw/zinc/01/79/73/144017973.db2.gz SADZAMATMIJGBC-UHFFFAOYSA-N 0 1 277.240 0.691 20 5 CCBDMN Cn1cnc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000356802969 144034769 /nfs/dbraw/zinc/03/47/69/144034769.db2.gz CSULIXIGZWEPGV-UHFFFAOYSA-N 0 1 277.240 0.359 20 5 CCBDMN O=C(NC1(c2nn[nH]n2)CC1)c1csc([N+](=O)[O-])c1 ZINC000357078675 144058021 /nfs/dbraw/zinc/05/80/21/144058021.db2.gz XNQYAULLPLIZBS-UHFFFAOYSA-N 0 1 280.269 0.589 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(CCO)C1 ZINC000357498417 144096571 /nfs/dbraw/zinc/09/65/71/144096571.db2.gz PCFGRFATUQKJAJ-UHFFFAOYSA-N 0 1 266.253 0.755 20 5 CCBDMN Nc1nccc(C(=O)NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000548059015 286001258 /nfs/dbraw/zinc/00/12/58/286001258.db2.gz FGTWGRMAXKLFTB-UHFFFAOYSA-N 0 1 293.327 0.618 20 5 CCBDMN C[C@H]1CN(CC(C)(C)O)CCN1c1c([N+](=O)[O-])ncn1C ZINC000548692381 286058401 /nfs/dbraw/zinc/05/84/01/286058401.db2.gz DLWDOFWBBXSBTR-JTQLQIEISA-N 0 1 297.359 0.610 20 5 CCBDMN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1COC[C@H]1O ZINC000286024279 411741265 /nfs/dbraw/zinc/74/12/65/411741265.db2.gz QBLLILKGXVSTTQ-CHWSQXEVSA-N 0 1 282.296 0.665 20 5 CCBDMN Cc1ccc(CNCCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000037241462 173058160 /nfs/dbraw/zinc/05/81/60/173058160.db2.gz RQGIWMRJBCNFKW-UHFFFAOYSA-N 0 1 287.341 0.542 20 5 CCBDMN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CNCCO1 ZINC000043707865 175101043 /nfs/dbraw/zinc/10/10/43/175101043.db2.gz QGSXNMWIWDZXKQ-JTQLQIEISA-N 0 1 251.242 0.522 20 5 CCBDMN Cc1c(CN2C[C@H](CO)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000317447214 260228396 /nfs/dbraw/zinc/22/83/96/260228396.db2.gz NEKFWIFRJSSEIS-DGCLKSJQSA-N 0 1 266.297 0.688 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CCN(CC3CC3)CC2)nc1 ZINC000302121381 275041073 /nfs/dbraw/zinc/04/10/73/275041073.db2.gz UNCHWMMWINFWLR-UHFFFAOYSA-N 0 1 263.301 0.917 20 5 CCBDMN C[C@@H](CN(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286594095 278239766 /nfs/dbraw/zinc/23/97/66/278239766.db2.gz GOJLVIAZAOLPIN-VIFPVBQESA-N 0 1 287.341 0.823 20 5 CCBDMN C[C@H](CN(C)C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000344897086 279279996 /nfs/dbraw/zinc/27/99/96/279279996.db2.gz MZRVFVNEHZAVIU-SECBINFHSA-N 0 1 287.341 0.823 20 5 CCBDMN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCNCC1 ZINC000269101147 280169934 /nfs/dbraw/zinc/16/99/34/280169934.db2.gz CMSOKWZUFLZDGB-UHFFFAOYSA-N 0 1 293.279 0.411 20 5 CCBDMN C[NH+](C)C[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000298519233 289192063 /nfs/dbraw/zinc/19/20/63/289192063.db2.gz VQEBDYAGKMLCRE-JTQLQIEISA-N 0 1 294.311 0.862 20 5 CCBDMN C[N@@H+]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@H]2C1 ZINC000192488785 290287412 /nfs/dbraw/zinc/28/74/12/290287412.db2.gz AQDFLVWSPGOYDV-PHIMTYICSA-N 0 1 291.307 0.934 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCNC[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000566009114 327112916 /nfs/dbraw/zinc/11/29/16/327112916.db2.gz BVUFUPGXFIQWJR-NSHDSACASA-N 0 1 285.279 0.400 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ncccc2F)c1 ZINC000583139041 329325887 /nfs/dbraw/zinc/32/58/87/329325887.db2.gz SULHFNSFSZMWMI-SNVBAGLBSA-N 0 1 295.274 0.476 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000578130334 335510933 /nfs/dbraw/zinc/51/09/33/335510933.db2.gz DZDIRFVNMJEZFS-LDYMZIIASA-N 0 1 292.295 0.519 20 5 CCBDMN CNS(=O)(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000187192266 522205382 /nfs/dbraw/zinc/20/53/82/522205382.db2.gz IBGKTRZDEQVNGA-VIFPVBQESA-N 0 1 287.341 0.795 20 5 CCBDMN O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000366364802 526942708 /nfs/dbraw/zinc/94/27/08/526942708.db2.gz YKWCEZRTPABVNT-DNRKLUKYSA-N 0 1 286.353 0.823 20 5 CCBDMN CC(C)(CCO)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344280170 535046175 /nfs/dbraw/zinc/04/61/75/535046175.db2.gz OQGIJZGKCQQPGI-UHFFFAOYSA-N 0 1 256.262 0.456 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(n3ccnn3)C2)c1[N+](=O)[O-] ZINC000371666325 535999712 /nfs/dbraw/zinc/99/97/12/535999712.db2.gz SWDUHSWJVHXGNL-UHFFFAOYSA-N 0 1 291.271 0.169 20 5 CCBDMN Cc1nc(COC(=O)c2c([N+](=O)[O-])c(C)nn2C)n[nH]1 ZINC000795355965 581404781 /nfs/dbraw/zinc/40/47/81/581404781.db2.gz ZMXRZJWEFUDAAG-UHFFFAOYSA-N 0 1 280.244 0.420 20 5 CCBDMN C[C@@H](C[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CC1)C(=O)[O-] ZINC000736581581 581798796 /nfs/dbraw/zinc/79/87/96/581798796.db2.gz JNGMKDCRCHMZNO-QMMMGPOBSA-N 0 1 268.273 0.934 20 5 CCBDMN C[C@@H](C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CC1)C(=O)[O-] ZINC000736581581 581798799 /nfs/dbraw/zinc/79/87/99/581798799.db2.gz JNGMKDCRCHMZNO-QMMMGPOBSA-N 0 1 268.273 0.934 20 5 CCBDMN CCc1cc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000732793417 581848732 /nfs/dbraw/zinc/84/87/32/581848732.db2.gz KYMFPASXLSNDHM-UHFFFAOYSA-N 0 1 278.272 0.393 20 5 CCBDMN CCc1cc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000772918135 581899800 /nfs/dbraw/zinc/89/98/00/581899800.db2.gz RXRVUVAFIVCQKT-UHFFFAOYSA-N 0 1 278.272 0.544 20 5 CCBDMN CC1(C)C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C(=O)O1 ZINC000765141967 582091957 /nfs/dbraw/zinc/09/19/57/582091957.db2.gz JXKZIEJQVCAZGS-RXMQYKEDSA-N 0 1 268.229 0.142 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)N1C(=O)[O-] ZINC000826056121 603709321 /nfs/dbraw/zinc/70/93/21/603709321.db2.gz BJBPVRXIGNNPKJ-AOOOYVTPSA-N 0 1 297.315 0.864 20 5 CCBDMN C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)N1C(=O)[O-] ZINC000826056121 603709325 /nfs/dbraw/zinc/70/93/25/603709325.db2.gz BJBPVRXIGNNPKJ-AOOOYVTPSA-N 0 1 297.315 0.864 20 5 CCBDMN O=C([O-])[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000821509168 604966690 /nfs/dbraw/zinc/96/66/90/604966690.db2.gz KFNCBWIACGKRBW-SNVBAGLBSA-N 0 1 281.268 0.306 20 5 CCBDMN O=[N+]([O-])c1ccsc1-n1cnc(-c2nn[nH]n2)n1 ZINC000826500631 608583015 /nfs/dbraw/zinc/58/30/15/608583015.db2.gz GAYBXMVFQQFBDP-UHFFFAOYSA-N 0 1 264.230 0.417 20 5 CCBDMN COc1ccc(CC(=O)NC[C@H]2CCN2C)cc1[N+](=O)[O-] ZINC000928564823 617241757 /nfs/dbraw/zinc/24/17/57/617241757.db2.gz ZXFXJRYKWKUXGH-LLVKDONJSA-N 0 1 293.323 0.966 20 5 CCBDMN COc1ccc([C@H](CO)CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839796588 617281208 /nfs/dbraw/zinc/28/12/08/617281208.db2.gz CPQBCBOMAJUBKS-CYZMBNFOSA-N 0 1 294.307 0.553 20 5 CCBDMN CC(C)(C)OC(=O)N1CCO[C@@H](CNCC[N+](=O)[O-])C1 ZINC000905277918 613977321 /nfs/dbraw/zinc/97/73/21/613977321.db2.gz BMIZLCQATNWMIY-JTQLQIEISA-N 0 1 289.332 0.489 20 5 CCBDMN CC(C)(C)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1O ZINC000839722292 614040601 /nfs/dbraw/zinc/04/06/01/614040601.db2.gz YDRYVTOKLFTMBA-LMLFDSFASA-N 0 1 270.329 0.907 20 5 CCBDMN CC(=O)Nc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839484661 614201119 /nfs/dbraw/zinc/20/11/19/614201119.db2.gz DMQHBUVWIYSJFF-VXGBXAGGSA-N 0 1 277.280 0.926 20 5 CCBDMN CCCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839609005 614426097 /nfs/dbraw/zinc/42/60/97/614426097.db2.gz AOLWWTWSTKIXMT-IJLUTSLNSA-N 0 1 297.355 0.807 20 5 CCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC2CC2)C1 ZINC000967950855 614651250 /nfs/dbraw/zinc/65/12/50/614651250.db2.gz YMGUKCKTLYJYMQ-VXGBXAGGSA-N 0 1 295.339 0.511 20 5 CCBDMN CC1(C)[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000839689883 614870119 /nfs/dbraw/zinc/87/01/19/614870119.db2.gz ASTPZMRREZGGNP-IGORNWKESA-N 0 1 254.286 0.581 20 5 CCBDMN CCC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979738622 614945997 /nfs/dbraw/zinc/94/59/97/614945997.db2.gz LDZZALKIAQTRFB-ZYUZMQFOSA-N 0 1 269.301 0.073 20 5 CCBDMN CCOC(=O)C1=CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000862882569 615165532 /nfs/dbraw/zinc/16/55/32/615165532.db2.gz ATYGTGWGZUZYAQ-IVZWLZJFSA-N 0 1 268.269 0.420 20 5 CCBDMN CCOC(=O)c1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC000840675434 615182163 /nfs/dbraw/zinc/18/21/63/615182163.db2.gz ZFYMUWWMTVWWIH-GHMZBOCLSA-N 0 1 294.263 0.967 20 5 CCBDMN CCc1nc([C@@H](C)OC(=O)Cn2cnc([N+](=O)[O-])n2)n[nH]1 ZINC000849705122 615754553 /nfs/dbraw/zinc/75/45/53/615754553.db2.gz UEBARDGGGKUSFQ-ZCFIWIBFSA-N 0 1 295.259 0.171 20 5 CCBDMN CCc1nocc1CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839779114 615863488 /nfs/dbraw/zinc/86/34/88/615863488.db2.gz SIYDYGHBNCEBTM-PSASIEDQSA-N 0 1 253.258 0.861 20 5 CCBDMN CCc1onc(C)c1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000886680142 615891234 /nfs/dbraw/zinc/89/12/34/615891234.db2.gz USCFYCGCOGCUDN-VXNVDRBHSA-N 0 1 253.258 0.827 20 5 CCBDMN CN1c2ccccc2CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000857892907 616134316 /nfs/dbraw/zinc/13/43/16/616134316.db2.gz LSBPAIFLJGBTOS-ZYHUDNBSSA-N 0 1 289.291 0.657 20 5 CCBDMN CN1CC2(C1)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2 ZINC000834522911 616164127 /nfs/dbraw/zinc/16/41/27/616164127.db2.gz WRMBBKCNBMSPTC-UHFFFAOYSA-N 0 1 269.345 0.986 20 5 CCBDMN COC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000839683274 616280877 /nfs/dbraw/zinc/28/08/77/616280877.db2.gz FSNUIBPFKPOKQT-KXUCPTDWSA-N 0 1 282.296 0.453 20 5 CCBDMN COC(=O)C1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000842433659 616364340 /nfs/dbraw/zinc/36/43/40/616364340.db2.gz QGTGJCRCQFTRQT-HTQZYQBOSA-N 0 1 257.242 0.538 20 5 CCBDMN COC(=O)[C@@]1(C)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839912768 616540417 /nfs/dbraw/zinc/54/04/17/616540417.db2.gz DSKSOOWIERAZIQ-LNLATYFQSA-N 0 1 270.285 0.453 20 5 CCBDMN COC(=O)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000840346082 616542588 /nfs/dbraw/zinc/54/25/88/616542588.db2.gz YZDXNTDJJSNNSH-RKDXNWHRSA-N 0 1 258.274 0.452 20 5 CCBDMN COC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840425022 616722699 /nfs/dbraw/zinc/72/26/99/616722699.db2.gz FVGFMYTXSCTQGB-ZYUZMQFOSA-N 0 1 270.285 0.452 20 5 CCBDMN COC(=O)[C@]1(C)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839912766 616758548 /nfs/dbraw/zinc/75/85/48/616758548.db2.gz DSKSOOWIERAZIQ-KBVBSXBZSA-N 0 1 270.285 0.453 20 5 CCBDMN COC[C@]1(C(=O)OC(C)(C)C)CCN(CC[N+](=O)[O-])C1 ZINC000931472022 616857984 /nfs/dbraw/zinc/85/79/84/616857984.db2.gz VWIBVQQPRVHFSF-ZDUSSCGKSA-N 0 1 288.344 0.943 20 5 CCBDMN COC[C@@H](NCc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886918109 616901586 /nfs/dbraw/zinc/90/15/86/616901586.db2.gz RPHIQVOSGJXREH-ZYHUDNBSSA-N 0 1 298.343 0.860 20 5 CCBDMN COC[C@@H]1C[C@@H](O)CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844393221 616991450 /nfs/dbraw/zinc/99/14/50/616991450.db2.gz PLFVCFMMFXODDP-BFHYXJOUSA-N 0 1 296.323 0.710 20 5 CCBDMN CO[C@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCOC1 ZINC000845784740 617139299 /nfs/dbraw/zinc/13/92/99/617139299.db2.gz WMOVGLGRHJLMAN-LLVKDONJSA-N 0 1 270.241 0.885 20 5 CCBDMN COc1c(F)nccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000890826792 617148705 /nfs/dbraw/zinc/14/87/05/617148705.db2.gz PNKDAKOWIAUTCQ-IYSWYEEDSA-N 0 1 255.205 0.833 20 5 CCBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]2CO)c1 ZINC000934027391 625003355 /nfs/dbraw/zinc/00/33/55/625003355.db2.gz UBZWRVLDLLQOFX-VXGBXAGGSA-N 0 1 282.296 0.401 20 5 CCBDMN Cc1ccc(C(=O)NCCNCC[N+](=O)[O-])cc1F ZINC000905026083 634788135 /nfs/dbraw/zinc/78/81/35/634788135.db2.gz QUEKISWKONTPOX-UHFFFAOYSA-N 0 1 269.276 0.730 20 5 CCBDMN O=[N+]([O-])CCN[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000905364305 634854350 /nfs/dbraw/zinc/85/43/50/634854350.db2.gz DDXMJCCTKGHCOJ-NWDGAFQWSA-N 0 1 254.286 0.337 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000894699403 631814964 /nfs/dbraw/zinc/81/49/64/631814964.db2.gz DXTZIRBTZMEBIN-DBIOUOCHSA-N 0 1 254.286 0.679 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CCN(CCCCCO)CC2)nc1 ZINC000894962280 631887941 /nfs/dbraw/zinc/88/79/41/631887941.db2.gz VBVYNHKZTVSWQX-UHFFFAOYSA-N 0 1 295.343 0.669 20 5 CCBDMN Cc1nn(CCC(=O)NC[C@H]2CCN2C)c(C)c1[N+](=O)[O-] ZINC000928561962 631996842 /nfs/dbraw/zinc/99/68/42/631996842.db2.gz JHOHVURXTHETFT-LLVKDONJSA-N 0 1 295.343 0.619 20 5 CCBDMN O=C(NC[C@H](O)Cc1ccccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000899306400 633796833 /nfs/dbraw/zinc/79/68/33/633796833.db2.gz CDWDVOGKVINWHC-CKYFFXLPSA-N 0 1 282.271 0.511 20 5 CCBDMN O=C(NC[C@@H](O)Cc1ccccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000899306401 633797555 /nfs/dbraw/zinc/79/75/55/633797555.db2.gz CDWDVOGKVINWHC-HOSYDEDBSA-N 0 1 282.271 0.511 20 5 CCBDMN CS(=O)(=O)C1(CNCC[N+](=O)[O-])CCCCC1 ZINC000899890816 633912797 /nfs/dbraw/zinc/91/27/97/633912797.db2.gz CYSCRLAGBANHGX-UHFFFAOYSA-N 0 1 264.347 0.600 20 5 CCBDMN Cc1ccoc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991278576 635832526 /nfs/dbraw/zinc/83/25/26/635832526.db2.gz IQHXEAYMOUEHHX-NXEZZACHSA-N 0 1 293.279 0.194 20 5 CCBDMN O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912908579 636698075 /nfs/dbraw/zinc/69/80/75/636698075.db2.gz BAXJAEXJGJOZIN-SNVBAGLBSA-N 0 1 292.295 0.616 20 5 CCBDMN Cc1nn(C)c(C)c1CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842324971 637056079 /nfs/dbraw/zinc/05/60/79/637056079.db2.gz QWORJDVJGQYGID-GHMZBOCLSA-N 0 1 267.285 0.788 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NC12CCN(CC1)C2 ZINC000913626726 637388571 /nfs/dbraw/zinc/38/85/71/637388571.db2.gz FJCGVKLMCFEQTA-UHFFFAOYSA-N 0 1 264.285 0.511 20 5 CCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1(F)CCCC1 ZINC000994990609 638392140 /nfs/dbraw/zinc/39/21/40/638392140.db2.gz CELOHXJUKGDCDD-NXEZZACHSA-N 0 1 299.302 0.261 20 5 CCBDMN O=C(CC1CC1)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000943413857 638720667 /nfs/dbraw/zinc/72/06/67/638720667.db2.gz VGNDVETWLJYTDX-VXGBXAGGSA-N 0 1 295.339 0.559 20 5 CCBDMN CC(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001809207 639341856 /nfs/dbraw/zinc/34/18/56/639341856.db2.gz BBPKXDOMNNSUHY-NXEZZACHSA-N 0 1 283.328 0.272 20 5 CCBDMN CCC1(C(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001001811167 639342514 /nfs/dbraw/zinc/34/25/14/639342514.db2.gz YDWCTTHOQVVKES-GHMZBOCLSA-N 0 1 295.339 0.416 20 5 CCBDMN O=C(NCC(F)(F)Br)[C@@H]1CC1[N+](=O)[O-] ZINC000839765065 640359753 /nfs/dbraw/zinc/35/97/53/640359753.db2.gz KOCTWCSISLKUAS-QWWZWVQMSA-N 0 1 273.033 0.756 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000839575674 640343946 /nfs/dbraw/zinc/34/39/46/640343946.db2.gz VXKWQPQCGYTVMC-BWZBUEFSSA-N 0 1 257.290 0.071 20 5 CCBDMN O=C(Nc1cnn(Cc2ccccn2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839619743 640346939 /nfs/dbraw/zinc/34/69/39/640346939.db2.gz WFYBPDPQWQYABY-VXGBXAGGSA-N 0 1 287.279 0.930 20 5 CCBDMN Cc1ccc([C@@H](O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000839690657 640349646 /nfs/dbraw/zinc/34/96/46/640349646.db2.gz FCBSUJMIHAYSTB-HLTSFMKQSA-N 0 1 254.242 0.403 20 5 CCBDMN O=C(NC[C@@H](CCO)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839698899 640351986 /nfs/dbraw/zinc/35/19/86/640351986.db2.gz ILWNUVPJTCEZDK-JHJVBQTASA-N 0 1 278.308 0.934 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000839681286 640353409 /nfs/dbraw/zinc/35/34/09/640353409.db2.gz UTCVIFRYEOFLTF-QJPTWQEYSA-N 0 1 295.339 0.513 20 5 CCBDMN C[C@H]1OCC[C@@]12CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000839747621 640360547 /nfs/dbraw/zinc/36/05/47/640360547.db2.gz CUDATDFVIJXCDY-DNRKLUKYSA-N 0 1 270.285 0.058 20 5 CCBDMN COc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(OC)n1 ZINC000839773941 640363178 /nfs/dbraw/zinc/36/31/78/640363178.db2.gz JOOHIIPMDHSUDU-RKDXNWHRSA-N 0 1 281.268 0.380 20 5 CCBDMN O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839775641 640363537 /nfs/dbraw/zinc/36/35/37/640363537.db2.gz GYBWKSFBINTZQX-RGCMKSIDSA-N 0 1 290.319 0.934 20 5 CCBDMN O=C(NC[C@H](CO)C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839779162 640363946 /nfs/dbraw/zinc/36/39/46/640363946.db2.gz UINATSHPSNYNBW-IJLUTSLNSA-N 0 1 270.329 0.957 20 5 CCBDMN NC(=O)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000840377262 641390637 /nfs/dbraw/zinc/39/06/37/641390637.db2.gz RYEPVDIMEWNDIB-GMTAPVOTSA-N 0 1 283.328 0.592 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCn2c(nnc2C(F)F)C1 ZINC000834759129 642629393 /nfs/dbraw/zinc/62/93/93/642629393.db2.gz DAIGMBCJILMVAQ-PHDIDXHHSA-N 0 1 287.226 0.223 20 5 CCBDMN O=C(O[C@@H]1C[C@H]2CCCC[C@H]2NC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840674942 642785757 /nfs/dbraw/zinc/78/57/57/642785757.db2.gz TTYOJPDOWDVCLX-ISUQUUIWSA-N 0 1 282.296 0.642 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](Nc2ncccn2)C1 ZINC000843616647 643099276 /nfs/dbraw/zinc/09/92/76/643099276.db2.gz ONHGKXQPCVAJBQ-IVZWLZJFSA-N 0 1 277.284 0.155 20 5 CCBDMN O=C(NCCc1nc[nH]n1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000848152638 643610287 /nfs/dbraw/zinc/61/02/87/643610287.db2.gz KKCLDHRHJKDQPS-NSHDSACASA-N 0 1 291.267 0.105 20 5 CCBDMN C[C@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1nnc[nH]1 ZINC000853216554 644091141 /nfs/dbraw/zinc/09/11/41/644091141.db2.gz JIUJHBUCKWGZSV-LURJTMIESA-N 0 1 265.229 0.969 20 5 CCBDMN O=C(NCCO[C@H]1CCCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000854549779 644221698 /nfs/dbraw/zinc/22/16/98/644221698.db2.gz RPBYANGSIULVFI-BBBLOLIVSA-N 0 1 258.274 0.311 20 5 CCBDMN O=C(NCCN1C[C@H]2CCCCN2C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856140798 644394042 /nfs/dbraw/zinc/39/40/42/644394042.db2.gz FNVRWUISRQOKFA-GMTAPVOTSA-N 0 1 296.327 0.058 20 5 CCBDMN C[S@](=O)[C@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000857304445 644497458 /nfs/dbraw/zinc/49/74/58/644497458.db2.gz JGQPXQINANTFIR-OTLFIQNISA-N 0 1 274.342 0.458 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2nc(C3CC3)ncc2C1 ZINC000862965939 645051547 /nfs/dbraw/zinc/05/15/47/645051547.db2.gz HNRXRCYPXMDKEW-ZYHUDNBSSA-N 0 1 288.307 0.904 20 5 CCBDMN C[C@@](CO)(Cc1ccccc1F)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000870933179 646050731 /nfs/dbraw/zinc/05/07/31/646050731.db2.gz QLJDGXMKSKHENQ-QKCSRTOESA-N 0 1 296.298 0.901 20 5 CCBDMN O=C(NC[C@H]1CC[C@@H](C2CC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000887473966 648116088 /nfs/dbraw/zinc/11/60/88/648116088.db2.gz JBAGKMMNQLRJBK-DBIOUOCHSA-N 0 1 254.286 0.725 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000890509397 648304887 /nfs/dbraw/zinc/30/48/87/648304887.db2.gz CMZPYZHZSCIBJW-AAVRWANBSA-N 0 1 290.319 0.714 20 5 CCBDMN C[C@H]1[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CCN1C ZINC000928431696 648630019 /nfs/dbraw/zinc/63/00/19/648630019.db2.gz AOTAMOHXWKTQLU-YUMQZZPRSA-N 0 1 267.289 0.151 20 5 CCBDMN C[C@@H]1[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CCN1C ZINC000928438799 648634152 /nfs/dbraw/zinc/63/41/52/648634152.db2.gz HKSVAUOSMAYLCY-SFYZADRCSA-N 0 1 267.289 0.151 20 5 CCBDMN O=[N+]([O-])CCN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000930127550 648827831 /nfs/dbraw/zinc/82/78/31/648827831.db2.gz XEXXJFZAVWPITJ-LLVKDONJSA-N 0 1 258.318 0.781 20 5 CCBDMN O=C(N1C[C@H]2CN(CC[N+](=O)[O-])CC[C@@H]2C1)C(F)(F)F ZINC000930638802 648884956 /nfs/dbraw/zinc/88/49/56/648884956.db2.gz FGRBCEKBKAFKRX-RKDXNWHRSA-N 0 1 295.261 0.606 20 5 CCBDMN C[C@@](CO)(Cc1ccccc1F)NCC[N+](=O)[O-] ZINC000933427239 649121949 /nfs/dbraw/zinc/12/19/49/649121949.db2.gz FBIFKCVKODJXRO-LBPRGKRZSA-N 0 1 256.277 0.986 20 5 CCBDMN CN1CCO[C@@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]21 ZINC001164671306 719371290 /nfs/dbraw/zinc/37/12/90/719371290.db2.gz WFAHFCWMETWHCQ-RKDXNWHRSA-N 0 1 299.718 0.557 20 5 CCBDMN Cc1oncc1CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266273652 790377583 /nfs/dbraw/zinc/37/75/83/790377583.db2.gz WLYVHWFZLWRPJI-GHMZBOCLSA-N 0 1 282.300 0.196 20 5 CCBDMN COc1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cccc1C(N)=O ZINC001266588136 790990874 /nfs/dbraw/zinc/99/08/74/790990874.db2.gz SDCVEYBJMGEYCP-VXNVDRBHSA-N 0 1 279.252 0.398 20 5 CCBDMN O=C([O-])C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000061145880 793222260 /nfs/dbraw/zinc/22/22/60/793222260.db2.gz LYITYBXHAQCORZ-UHFFFAOYSA-N 0 1 280.284 0.587 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)NCCCc2nc[nH]n2)n1 ZINC001138966055 799772480 /nfs/dbraw/zinc/77/24/80/799772480.db2.gz FLNCCVFZAYSWCH-UHFFFAOYSA-N 0 1 293.287 0.292 20 5 CCBDMN O=C(OCCO[C@@H]1CCCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672593 800049743 /nfs/dbraw/zinc/04/97/43/800049743.db2.gz CIPCZHSZENCXQM-OPRDCNLKSA-N 0 1 259.258 0.738 20 5 CCBDMN Nc1cc([N+](=O)[O-])cnc1NCc1noc2c1CNCC2 ZINC001155498105 800991620 /nfs/dbraw/zinc/99/16/20/800991620.db2.gz SWJDASGXRFKJPU-UHFFFAOYSA-N 0 1 290.283 0.818 20 5 CCBDMN COc1cc(NC[C@@H]2COCCN2)ncc1[N+](=O)[O-] ZINC001159042711 801747510 /nfs/dbraw/zinc/74/75/10/801747510.db2.gz JBRWYWBCAOUSTO-MRVPVSSYSA-N 0 1 268.273 0.399 20 5 CCBDMN Cc1nnc(CN)n1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001163348490 802541762 /nfs/dbraw/zinc/54/17/62/802541762.db2.gz DPTHONTZDYQIGS-UHFFFAOYSA-N 0 1 284.663 0.229 20 5 CCBDMN CCc1nc([C@H](C)OC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC001261587075 809025336 /nfs/dbraw/zinc/02/53/36/809025336.db2.gz RSXQMSLEDCDXFD-LURJTMIESA-N 0 1 294.271 0.927 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2cnc(F)c([N+](=O)[O-])c2)S1 ZINC001163673084 802588626 /nfs/dbraw/zinc/58/86/26/802588626.db2.gz VMSDEVRMBWPRMS-ZETCQYMHSA-N 0 1 272.217 0.850 20 5 CCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC(N(C)C)C1 ZINC001163940050 802637575 /nfs/dbraw/zinc/63/75/75/802637575.db2.gz AHMVRTRXJUHGMJ-UHFFFAOYSA-N 0 1 252.274 0.287 20 5 CCBDMN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC(N(C)C)C1 ZINC001163940448 802637700 /nfs/dbraw/zinc/63/77/00/802637700.db2.gz KQEJQCDINBTBAA-UHFFFAOYSA-N 0 1 294.311 0.917 20 5 CCBDMN COCc1nn(-c2ccc([N+](=O)[O-])c(N)n2)c2c1CNC2 ZINC001165633069 802858424 /nfs/dbraw/zinc/85/84/24/802858424.db2.gz NYUZPGJGDOUKIT-UHFFFAOYSA-N 0 1 290.283 0.507 20 5 CCBDMN CN(Cc1cnc[nH]1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC001166403116 802905234 /nfs/dbraw/zinc/90/52/34/802905234.db2.gz WOCGFVBCCPWPTF-UHFFFAOYSA-N 0 1 276.256 0.567 20 5 CCBDMN O=c1ccnc(O[C@H](C[N+](=O)[O-])c2cccnc2)[nH]1 ZINC001226324859 805218590 /nfs/dbraw/zinc/21/85/90/805218590.db2.gz VXVFIQQTNFWBIX-SECBINFHSA-N 0 1 262.225 0.974 20 5 CCBDMN C[C@H](C[N+](C)(C)C)Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1 ZINC001227430435 805350396 /nfs/dbraw/zinc/35/03/96/805350396.db2.gz KXDCJIVBHPCWML-ZCFIWIBFSA-O 0 1 268.297 0.238 20 5 CCBDMN C[C@H](C[N+](C)(C)C)Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O ZINC001227430435 805350407 /nfs/dbraw/zinc/35/04/07/805350407.db2.gz KXDCJIVBHPCWML-ZCFIWIBFSA-O 0 1 268.297 0.238 20 5 CCBDMN CC[NH+]1CC(Oc2ncc([N+](=O)[O-])c3[n-]cnc32)C1 ZINC001227693093 805382587 /nfs/dbraw/zinc/38/25/87/805382587.db2.gz KPNUXIZMRURWBL-UHFFFAOYSA-N 0 1 263.257 0.949 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCOC2=O)cc1O ZINC001228812194 805481441 /nfs/dbraw/zinc/48/14/41/805481441.db2.gz VEKTXEZMVWVTLV-SECBINFHSA-N 0 1 297.219 0.781 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc3ccccn3n2)n1 ZINC001254358806 808223055 /nfs/dbraw/zinc/22/30/55/808223055.db2.gz LRDZGEZUTUSLET-UHFFFAOYSA-N 0 1 287.239 0.623 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1NC[C@@H](C)N1CCN(C)CC1 ZINC001258056594 808650908 /nfs/dbraw/zinc/65/09/08/808650908.db2.gz UJOVWNLPPBWCJA-GFCCVEGCSA-N 0 1 293.371 0.768 20 5 CCBDMN C[C@@H]([NH3+])CO[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001263141214 809457049 /nfs/dbraw/zinc/45/70/49/809457049.db2.gz QVCWVHBKBPWQKO-SECBINFHSA-N 0 1 267.285 0.922 20 5 CCBDMN C[C@H](O)C(=O)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228602305 814755407 /nfs/dbraw/zinc/75/54/07/814755407.db2.gz AAEOLGDXDSTKTD-BYPYZUCNSA-N 0 1 269.213 0.254 20 5 CCBDMN COc1ncc([N+](=O)[O-])cc1-n1c(C)cnc1CN ZINC001169028145 836105969 /nfs/dbraw/zinc/10/59/69/836105969.db2.gz JSLFYXIKMKEOBM-UHFFFAOYSA-N 0 1 263.257 0.951 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])ncc1-n1c(C)cnc1CN ZINC001169031020 836107357 /nfs/dbraw/zinc/10/73/57/836107357.db2.gz UWWFRQHUVRCRHO-UHFFFAOYSA-N 0 1 291.267 0.729 20 5 CCBDMN COc1ccc([N+](=O)[O-])nc1NC[C@H]1COCCN1 ZINC001170042785 836773703 /nfs/dbraw/zinc/77/37/03/836773703.db2.gz DRUZIKKWWJGCFX-QMMMGPOBSA-N 0 1 268.273 0.399 20 5 CCBDMN COc1ncc([N+](=O)[O-])cc1NC[C@@H]1COCCN1 ZINC001170046263 836786890 /nfs/dbraw/zinc/78/68/90/836786890.db2.gz WLNKKFFKDDOEJA-MRVPVSSYSA-N 0 1 268.273 0.399 20 5 CCBDMN CN1CC(CNc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C1 ZINC001170253351 837285280 /nfs/dbraw/zinc/28/52/80/837285280.db2.gz ZZRFPKMTWPOFHH-UHFFFAOYSA-N 0 1 272.692 0.855 20 5 CCBDMN CC[C@@](N)(CO)Nc1ncc([N+](=O)[O-])cc1OC ZINC001170854501 839422807 /nfs/dbraw/zinc/42/28/07/839422807.db2.gz DOSZLZXAUXAGPC-JTQLQIEISA-N 0 1 256.262 0.468 20 5 CCBDMN Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2N)[nH]1 ZINC001143727153 839874322 /nfs/dbraw/zinc/87/43/22/839874322.db2.gz OUUWSNHNFFAMIM-UHFFFAOYSA-N 0 1 262.229 0.856 20 5 CCBDMN Cc1n[nH]c(NC(=O)c2ccc([N+](=O)[O-])cc2N)n1 ZINC001143727153 839874332 /nfs/dbraw/zinc/87/43/32/839874332.db2.gz OUUWSNHNFFAMIM-UHFFFAOYSA-N 0 1 262.229 0.856 20 5 CCBDMN Cc1ccc(NCCNC(=O)c2cnn[nH]2)c([N+](=O)[O-])c1 ZINC001094241839 841566745 /nfs/dbraw/zinc/56/67/45/841566745.db2.gz CVZPCHSDYTUNOY-UHFFFAOYSA-N 0 1 290.283 0.863 20 5 CCBDMN C[C@H]1[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCN1C ZINC001178224227 842797030 /nfs/dbraw/zinc/79/70/30/842797030.db2.gz FFAHKWXVHQCVLG-NKWVEPMBSA-N 0 1 253.262 0.140 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2OCCC[C@H]2C1 ZINC001117998129 856132157 /nfs/dbraw/zinc/13/21/57/856132157.db2.gz SVCUUQLVNQHQCH-LNFKQOIKSA-N 0 1 254.286 0.679 20 5 CCBDMN O=[N+]([O-])c1ccccc1CNC[C@@H](O)C1(O)CCC1 ZINC001120472062 857081612 /nfs/dbraw/zinc/08/16/12/857081612.db2.gz BJFYQVQDYIKWNN-GFCCVEGCSA-N 0 1 266.297 0.960 20 5 CCBDMN Cc1oncc1CN(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001482594811 894352894 /nfs/dbraw/zinc/35/28/94/894352894.db2.gz CRVXWBJTEOZNLT-VXGBXAGGSA-N 0 1 296.327 0.538 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOCC2(CCOCC2)C1 ZINC001127899015 897427560 /nfs/dbraw/zinc/42/75/60/897427560.db2.gz VIPOLVMJMQFYIS-GHMZBOCLSA-N 0 1 284.312 0.307 20 5 CCBDMN C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001327500685 914575459 /nfs/dbraw/zinc/57/54/59/914575459.db2.gz ZPBRGJNDVQYVOT-DTORHVGOSA-N 0 1 268.273 0.586 20 5 CCBDMN CC(C)=CC(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284521757 905356385 /nfs/dbraw/zinc/35/63/85/905356385.db2.gz JPFKRIFJCPJSKI-NXEZZACHSA-N 0 1 269.301 0.192 20 5 CCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)=C1CCCC1 ZINC001292636651 906310942 /nfs/dbraw/zinc/31/09/42/906310942.db2.gz BPBZGDPZBIHWCI-NXEZZACHSA-N 0 1 299.302 0.682 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc2[nH]nnc21 ZINC001298212268 907183557 /nfs/dbraw/zinc/18/35/57/907183557.db2.gz VAUXGFVRZVQWQY-UHFFFAOYSA-N 0 1 287.239 0.852 20 5 CCBDMN C[C@H](O)C1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC001302836944 908046337 /nfs/dbraw/zinc/04/63/37/908046337.db2.gz QCDXYVJGYPGSEY-ZETCQYMHSA-N 0 1 266.253 0.753 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CN2CCC1CC2 ZINC001339141571 921662545 /nfs/dbraw/zinc/66/25/45/921662545.db2.gz LZEWQAIBSPVLJP-LLVKDONJSA-N 0 1 293.327 0.310 20 5 CCBDMN Cc1nc(NC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC001341455933 922493442 /nfs/dbraw/zinc/49/34/42/922493442.db2.gz NYBYJMRFYSZYAD-UHFFFAOYSA-N 0 1 251.206 0.007 20 5 CCBDMN O=C(O[C@@H]1CCO[C@H]([C@H]2CCOC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001343260516 923252747 /nfs/dbraw/zinc/25/27/47/923252747.db2.gz CHVDXEANQNLJDI-KQSJRHEJSA-N 0 1 285.296 0.779 20 5 CCBDMN O=C(NCCNC(=O)C1(CF)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001348934692 924845836 /nfs/dbraw/zinc/84/58/36/924845836.db2.gz SGUIPASUWCKXQZ-RKDXNWHRSA-N 0 1 287.291 0.024 20 5 CCBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000044620822 967529866 /nfs/dbraw/zinc/52/98/66/967529866.db2.gz JWOKWIZBXVHGRH-VIFPVBQESA-N 0 1 270.289 0.895 20 5 CCBDMN COC(=O)[C@@]1(OC)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000599561318 361739715 /nfs/dbraw/zinc/73/97/15/361739715.db2.gz BMKAMDWMGANFRO-GFCCVEGCSA-N 0 1 298.299 0.055 20 5 CCBDMN COc1cc(C(=O)N2CCNCC2)cc([N+](=O)[O-])c1OC ZINC000082725492 178241986 /nfs/dbraw/zinc/24/19/86/178241986.db2.gz OJBISKGYTWUPOD-UHFFFAOYSA-N 0 1 295.295 0.657 20 5 CCBDMN CC(=O)NC[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000599705676 361793734 /nfs/dbraw/zinc/79/37/34/361793734.db2.gz ZCXGCTMSZKJEAA-GFCCVEGCSA-N 0 1 295.343 0.782 20 5 CCBDMN O=C(NC[C@@H](O)[C@@H]1CCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600242331 361902358 /nfs/dbraw/zinc/90/23/58/361902358.db2.gz PJPBZLGBSPMVOP-NEPJUHHUSA-N 0 1 296.279 0.570 20 5 CCBDMN CCOC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CCO1 ZINC000600408557 361952685 /nfs/dbraw/zinc/95/26/85/361952685.db2.gz AHJOKVUIKPVJOE-VIFPVBQESA-N 0 1 298.299 0.504 20 5 CCBDMN CN(CCNC(=O)c1n[nH]cc1[N+](=O)[O-])CC(F)F ZINC000600803731 362062479 /nfs/dbraw/zinc/06/24/79/362062479.db2.gz WCDCQFXNTJGIMP-UHFFFAOYSA-N 0 1 277.231 0.245 20 5 CCBDMN Cc1nn(C)c(C(=O)N2CCN(C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000347959883 282255274 /nfs/dbraw/zinc/25/52/74/282255274.db2.gz BXELBXSBXWOXEV-VIFPVBQESA-N 0 1 295.343 0.803 20 5 CCBDMN CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](CO)C1 ZINC000601979222 362449674 /nfs/dbraw/zinc/44/96/74/362449674.db2.gz AJFNJUXGJNZYLU-JTQLQIEISA-N 0 1 291.311 0.584 20 5 CCBDMN CC(C)[C@H]1CNCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000602527716 362658101 /nfs/dbraw/zinc/65/81/01/362658101.db2.gz KHNSRRDIBITGHJ-SECBINFHSA-N 0 1 281.316 0.398 20 5 CCBDMN CCO[C@@H]1COCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602821009 362818961 /nfs/dbraw/zinc/81/89/61/362818961.db2.gz VTGSXNGKXLQSDQ-GHMZBOCLSA-N 0 1 284.316 0.612 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000343487356 137138351 /nfs/dbraw/zinc/13/83/51/137138351.db2.gz HZAWQBVBUQFWCS-VHSXEESVSA-N 0 1 295.343 0.849 20 5 CCBDMN NC(=O)[C@H]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343407126 137132913 /nfs/dbraw/zinc/13/29/13/137132913.db2.gz VYNWKXBCBRXOEL-NKWVEPMBSA-N 0 1 281.272 0.092 20 5 CCBDMN Cc1ccc(NC(=O)C(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000036904388 348173562 /nfs/dbraw/zinc/17/35/62/348173562.db2.gz DMHJARMBXGKMLR-UHFFFAOYSA-N 0 1 292.295 0.274 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc[nH]1 ZINC000037920414 348219062 /nfs/dbraw/zinc/21/90/62/348219062.db2.gz GMQCAVZWJAKQKN-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN O=C(COc1ccccc1[N+](=O)[O-])NCc1nnc[nH]1 ZINC000037920384 348219242 /nfs/dbraw/zinc/21/92/42/348219242.db2.gz VLHGOJZTCGHWNI-UHFFFAOYSA-N 0 1 277.240 0.408 20 5 CCBDMN C[C@H](O)[C@H]1CCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602895811 362871743 /nfs/dbraw/zinc/87/17/43/362871743.db2.gz MBOIHPCGPZGWHO-WCBMZHEXSA-N 0 1 254.290 0.674 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000345957206 137262250 /nfs/dbraw/zinc/26/22/50/137262250.db2.gz MAPPMKQVPHRJJG-GHMZBOCLSA-N 0 1 295.343 0.732 20 5 CCBDMN O=C(Nc1cccnc1-n1cccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000044490561 348320987 /nfs/dbraw/zinc/32/09/87/348320987.db2.gz YNEBIQPNLNFGES-PSASIEDQSA-N 0 1 273.252 0.871 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](O)C2)c1[N+](=O)[O-] ZINC000068769567 348821530 /nfs/dbraw/zinc/82/15/30/348821530.db2.gz JIXYRRMMROJTPO-QMMMGPOBSA-N 0 1 282.300 0.867 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C1)CCOCC2 ZINC000075339587 349032353 /nfs/dbraw/zinc/03/23/53/349032353.db2.gz PJGOOKIOJAMESO-NXEZZACHSA-N 0 1 254.286 0.681 20 5 CCBDMN CC(C)[C@@H]1CN(C)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000078022638 349128263 /nfs/dbraw/zinc/12/82/63/349128263.db2.gz KOXMTEKSCKBSIR-JTQLQIEISA-N 0 1 280.332 0.743 20 5 CCBDMN CC[C@@H](CO)N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000078522442 349142070 /nfs/dbraw/zinc/14/20/70/349142070.db2.gz YPACUHBYWXZTQY-JTQLQIEISA-N 0 1 283.332 0.221 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2nc[nH]n2)c1 ZINC000088147649 349357683 /nfs/dbraw/zinc/35/76/83/349357683.db2.gz ZCUPMJRJVBADHK-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCN1 ZINC000088058993 349354383 /nfs/dbraw/zinc/35/43/83/349354383.db2.gz LMXTXISERYMDJU-QMMMGPOBSA-N 0 1 252.274 0.367 20 5 CCBDMN CN(C)C1CN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000135031912 350382619 /nfs/dbraw/zinc/38/26/19/350382619.db2.gz WCNCZYSWSQOPQF-UHFFFAOYSA-N 0 1 279.296 0.746 20 5 CCBDMN CC[C@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000123907876 187114253 /nfs/dbraw/zinc/11/42/53/187114253.db2.gz TVQOJUKMQXXRON-SSDOTTSWSA-N 0 1 278.268 0.972 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)Nc1ccc([N+](=O)[O-])cc1 ZINC000236402317 352194163 /nfs/dbraw/zinc/19/41/63/352194163.db2.gz QQHFKKQXVQIELB-SNVBAGLBSA-N 0 1 280.284 0.705 20 5 CCBDMN O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000248387866 352436741 /nfs/dbraw/zinc/43/67/41/352436741.db2.gz CCNXQMJAQNTGAF-QWHCGFSZSA-N 0 1 296.323 0.791 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC000266916409 352732484 /nfs/dbraw/zinc/73/24/84/352732484.db2.gz NGWJSNFKBHCFGA-MRVPVSSYSA-N 0 1 295.299 0.354 20 5 CCBDMN CCc1nc([C@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000270762600 352980670 /nfs/dbraw/zinc/98/06/70/352980670.db2.gz PBSSNORVUIEHFY-ZETCQYMHSA-N 0 1 293.287 0.349 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCn2cnnc2C1 ZINC000272465436 353066824 /nfs/dbraw/zinc/06/68/24/353066824.db2.gz CZAWPRGNLOSFPB-UHFFFAOYSA-N 0 1 289.251 0.548 20 5 CCBDMN CCNC(=O)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272590087 353077276 /nfs/dbraw/zinc/07/72/76/353077276.db2.gz MNVXHOIFCCGIDF-ZETCQYMHSA-N 0 1 281.268 0.555 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)n1 ZINC000272664003 353083634 /nfs/dbraw/zinc/08/36/34/353083634.db2.gz RWLJUUWXVKMLNL-NXEZZACHSA-N 0 1 293.327 0.495 20 5 CCBDMN C[C@@H]1CN(CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])nc1 ZINC000419000216 234283869 /nfs/dbraw/zinc/28/38/69/234283869.db2.gz OCGWJIMZLQPWMV-WDEREUQCSA-N 0 1 280.328 0.881 20 5 CCBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000330458389 354366827 /nfs/dbraw/zinc/36/68/27/354366827.db2.gz PGLVKIBUGQXCFU-BXKDBHETSA-N 0 1 282.296 0.882 20 5 CCBDMN CCN1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331059532 354433357 /nfs/dbraw/zinc/43/33/57/354433357.db2.gz NBKFFZWCNLZFFT-UHFFFAOYSA-N 0 1 253.306 0.466 20 5 CCBDMN C[C@@H]1CCN(C)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347523237 355880678 /nfs/dbraw/zinc/88/06/78/355880678.db2.gz NOKHGYVDHHLNTP-SECBINFHSA-N 0 1 281.316 0.495 20 5 CCBDMN CCCc1[nH]nc(C(=O)Nc2nn[nH]n2)c1[N+](=O)[O-] ZINC000348598011 355954534 /nfs/dbraw/zinc/95/45/34/355954534.db2.gz LQEPQNIXGFNZGQ-UHFFFAOYSA-N 0 1 266.221 0.036 20 5 CCBDMN CCN1CCN(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000352660018 356044268 /nfs/dbraw/zinc/04/42/68/356044268.db2.gz PSJFCEQBTOJDLS-JTQLQIEISA-N 0 1 267.333 0.854 20 5 CCBDMN O=C(NC[C@@H]1CCC[C@@H](CO)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000360638876 138003814 /nfs/dbraw/zinc/00/38/14/138003814.db2.gz LTCLXQKJDJAVTJ-RKDXNWHRSA-N 0 1 282.300 0.846 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1C ZINC000354429727 356411997 /nfs/dbraw/zinc/41/19/97/356411997.db2.gz MXGJHWRCCJBGGK-DTWKUNHWSA-N 0 1 281.316 0.873 20 5 CCBDMN CC[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN1C[C@@H](C)O ZINC000609257394 363480632 /nfs/dbraw/zinc/48/06/32/363480632.db2.gz MMUFTARXNHLNBR-MNOVXSKESA-N 0 1 297.359 0.610 20 5 CCBDMN C[C@H]1COCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000366795942 357239679 /nfs/dbraw/zinc/23/96/79/357239679.db2.gz IDACEGQLZOMIQX-SNVBAGLBSA-N 0 1 254.290 0.760 20 5 CCBDMN O=C(Nc1cccnc1-n1cncn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000377480733 357578761 /nfs/dbraw/zinc/57/87/61/357578761.db2.gz DUXPBEIBBSTBES-VXNVDRBHSA-N 0 1 274.240 0.266 20 5 CCBDMN CS(=O)(=O)N1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000400149970 357786767 /nfs/dbraw/zinc/78/67/67/357786767.db2.gz AZESKOFVLPERRC-NSHDSACASA-N 0 1 299.352 0.718 20 5 CCBDMN O=[N+]([O-])c1cnc(NCCN2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000450797291 236112893 /nfs/dbraw/zinc/11/28/93/236112893.db2.gz XATXIYKZVUDOTL-PHIMTYICSA-N 0 1 279.300 0.082 20 5 CCBDMN O=C(NCCC[NH+]1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000294439185 199039327 /nfs/dbraw/zinc/03/93/27/199039327.db2.gz OGGJHNGIEWKTNL-UHFFFAOYSA-N 0 1 294.311 0.911 20 5 CCBDMN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCc1c[nH]nn1 ZINC000562440217 291151751 /nfs/dbraw/zinc/15/17/51/291151751.db2.gz ZFEMFQKJJXHUTM-UHFFFAOYSA-N 0 1 287.235 0.552 20 5 CCBDMN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCc1cnn[nH]1 ZINC000562440217 291151753 /nfs/dbraw/zinc/15/17/53/291151753.db2.gz ZFEMFQKJJXHUTM-UHFFFAOYSA-N 0 1 287.235 0.552 20 5 CCBDMN NC1(c2noc(-c3cc([N+](=O)[O-])n[nH]3)n2)CCC1 ZINC000568748198 358700776 /nfs/dbraw/zinc/70/07/76/358700776.db2.gz AODOBCCKEAFVBZ-UHFFFAOYSA-N 0 1 250.218 0.706 20 5 CCBDMN O=C(NC[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000569240016 358746838 /nfs/dbraw/zinc/74/68/38/358746838.db2.gz GZJRHYOSPMTMLO-QMMMGPOBSA-N 0 1 280.284 0.425 20 5 CCBDMN C[C@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570396758 358852604 /nfs/dbraw/zinc/85/26/04/358852604.db2.gz PZKBTCCREOQSGN-SECBINFHSA-N 0 1 288.325 0.339 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCc3c[nH]nc3C2)c1 ZINC000611009227 363648359 /nfs/dbraw/zinc/64/83/59/363648359.db2.gz VCHADSRFHSVOKI-UHFFFAOYSA-N 0 1 262.273 0.573 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C2(CO)CC2)c1[N+](=O)[O-] ZINC000588857333 359341844 /nfs/dbraw/zinc/34/18/44/359341844.db2.gz VVSDWOUKHGSVGV-UHFFFAOYSA-N 0 1 254.246 0.223 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCO[C@H]3C[C@H]32)c1[N+](=O)[O-] ZINC000590433977 359461247 /nfs/dbraw/zinc/46/12/47/359461247.db2.gz XXSFUERTIOFUDE-RQJHMYQMSA-N 0 1 252.230 0.240 20 5 CCBDMN C[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592294471 359813870 /nfs/dbraw/zinc/81/38/70/359813870.db2.gz FRDXUKCUFYQNPG-LURJTMIESA-N 0 1 254.246 0.163 20 5 CCBDMN Cc1[nH]nc(C(=O)N(CCCO)C2CC2)c1[N+](=O)[O-] ZINC000611216709 363684228 /nfs/dbraw/zinc/68/42/28/363684228.db2.gz QZOHLNUOMWCZNH-UHFFFAOYSA-N 0 1 268.273 0.613 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000611219836 363685660 /nfs/dbraw/zinc/68/56/60/363685660.db2.gz VBCDXLAUKNPDOJ-SNVBAGLBSA-N 0 1 293.327 0.542 20 5 CCBDMN O=C(Nc1nc2ccccn2n1)c1n[nH]cc1[N+](=O)[O-] ZINC000611218192 363685841 /nfs/dbraw/zinc/68/58/41/363685841.db2.gz ONAVPFNJQLCRLO-UHFFFAOYSA-N 0 1 273.212 0.613 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C3CC3)C2)n1 ZINC000611238745 363692226 /nfs/dbraw/zinc/69/22/26/363692226.db2.gz ATIWGGFGRJWUQY-QMMMGPOBSA-N 0 1 279.300 0.295 20 5 CCBDMN O=C(N[C@H]1C[C@@H](O)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000298250398 200371648 /nfs/dbraw/zinc/37/16/48/200371648.db2.gz DYMCRWVKDAOCCY-WRXNHJIOSA-N 0 1 276.252 0.724 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CCCOC1 ZINC000594753410 360376827 /nfs/dbraw/zinc/37/68/27/360376827.db2.gz AUVSZXGNPKHGKC-MRVPVSSYSA-N 0 1 287.297 0.447 20 5 CCBDMN CCc1nn(C)c(NCc2n[nH]c(COC)n2)c1[N+](=O)[O-] ZINC000596435319 360895493 /nfs/dbraw/zinc/89/54/93/360895493.db2.gz COQVKYBOBPVCHP-UHFFFAOYSA-N 0 1 295.303 0.767 20 5 CCBDMN CCc1nn(C)c(NCc2nnc(COC)[nH]2)c1[N+](=O)[O-] ZINC000596435319 360895497 /nfs/dbraw/zinc/89/54/97/360895497.db2.gz COQVKYBOBPVCHP-UHFFFAOYSA-N 0 1 295.303 0.767 20 5 CCBDMN CCOC[C@@H](O)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000563882094 291255831 /nfs/dbraw/zinc/25/58/31/291255831.db2.gz RBWKOEFZLKXHBR-JTQLQIEISA-N 0 1 294.311 0.958 20 5 CCBDMN CN(Cc1cnc[nH]1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000597866588 361273612 /nfs/dbraw/zinc/27/36/12/361273612.db2.gz ZGLXKKWIPPTYEM-UHFFFAOYSA-N 0 1 291.267 0.138 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@]3(O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000598226660 361358672 /nfs/dbraw/zinc/35/86/72/361358672.db2.gz UDUZRPYIROISRU-WRWORJQWSA-N 0 1 266.257 0.223 20 5 CCBDMN COC(C)(C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599247607 361619522 /nfs/dbraw/zinc/61/95/22/361619522.db2.gz FTFVUSGOMWHDGE-UHFFFAOYSA-N 0 1 292.317 0.032 20 5 CCBDMN CCC1(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599253978 361620976 /nfs/dbraw/zinc/62/09/76/361620976.db2.gz RWHDOOFSMULIRP-UHFFFAOYSA-N 0 1 288.329 0.797 20 5 CCBDMN CC[C@@H]1C[C@H]1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599317288 361649643 /nfs/dbraw/zinc/64/96/43/361649643.db2.gz SLTKYPAFIZWQNS-SFYZADRCSA-N 0 1 288.329 0.653 20 5 CCBDMN O=[N+]([O-])c1cnc(NCCN2CCCOCC2)nc1 ZINC000275518058 193064805 /nfs/dbraw/zinc/06/48/05/193064805.db2.gz WDOXNOIVDIOWEP-UHFFFAOYSA-N 0 1 267.289 0.519 20 5 CCBDMN CC[N@H+](CC(=O)[O-])C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566361481 291397477 /nfs/dbraw/zinc/39/74/77/291397477.db2.gz IAMNHVKNHNJRBZ-JTQLQIEISA-N 0 1 298.295 0.741 20 5 CCBDMN CC1(C)SC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000276447677 193335585 /nfs/dbraw/zinc/33/55/85/193335585.db2.gz BJBLOFZQYCRDSV-LURJTMIESA-N 0 1 256.287 0.942 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCc3cncnc3C2)c1[N+](=O)[O-] ZINC000332007100 204383232 /nfs/dbraw/zinc/38/32/32/204383232.db2.gz QFANKOOMRVVNBI-UHFFFAOYSA-N 0 1 288.267 0.615 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](OC)C2)c1[N+](=O)[O-] ZINC000332735428 204936826 /nfs/dbraw/zinc/93/68/26/204936826.db2.gz VVMUOJZGRIYVOQ-ZETCQYMHSA-N 0 1 268.273 0.741 20 5 CCBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@](O)(CO)C2)c1 ZINC000313644296 249000752 /nfs/dbraw/zinc/00/07/52/249000752.db2.gz UHNLUTQWBAQZHK-ZDUSSCGKSA-N 0 1 266.297 0.914 20 5 CCBDMN CCc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000514933814 249112883 /nfs/dbraw/zinc/11/28/83/249112883.db2.gz ZRLOHQFYTRYLAY-LLVKDONJSA-N 0 1 295.299 0.492 20 5 CCBDMN CCc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000514933815 249112480 /nfs/dbraw/zinc/11/24/80/249112480.db2.gz ZRLOHQFYTRYLAY-NSHDSACASA-N 0 1 295.299 0.492 20 5 CCBDMN CNC(=O)NC(=O)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000046599863 388877377 /nfs/dbraw/zinc/87/73/77/388877377.db2.gz ZXVCGPYZFHDUOM-UHFFFAOYSA-N 0 1 294.311 0.872 20 5 CCBDMN CCc1nc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000295377883 389004865 /nfs/dbraw/zinc/00/48/65/389004865.db2.gz PGRVKAABFNWYRN-UHFFFAOYSA-N 0 1 292.255 0.306 20 5 CCBDMN CC1=CC[N@@H+](CCNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000355351221 389064408 /nfs/dbraw/zinc/06/44/08/389064408.db2.gz YOLVVWUDGWIDGQ-UHFFFAOYSA-N 0 1 293.327 0.710 20 5 CCBDMN CC1=CCN(CCNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000355351221 389064410 /nfs/dbraw/zinc/06/44/10/389064410.db2.gz YOLVVWUDGWIDGQ-UHFFFAOYSA-N 0 1 293.327 0.710 20 5 CCBDMN O=C(C[C@H]1COCCN1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000130418837 389205537 /nfs/dbraw/zinc/20/55/37/389205537.db2.gz UUJWDUDYDDSAAT-LBPRGKRZSA-N 0 1 293.323 0.632 20 5 CCBDMN O=c1ccn(Cc2n[nH]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000342690589 389241946 /nfs/dbraw/zinc/24/19/46/389241946.db2.gz KGBCYACUYDIPDR-UHFFFAOYSA-N 0 1 261.241 0.800 20 5 CCBDMN C[C@H]1CSC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000342315164 389209989 /nfs/dbraw/zinc/20/99/89/389209989.db2.gz KVMJOYJOMJIIFH-WDSKDSINSA-N 0 1 256.287 0.799 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000264311387 389320550 /nfs/dbraw/zinc/32/05/50/389320550.db2.gz CQTJWUSGIGWWIW-UHFFFAOYSA-N 0 1 289.295 0.923 20 5 CCBDMN O=[N+]([O-])c1cccc(CN(CCO)CCCO)c1 ZINC000264636865 389340712 /nfs/dbraw/zinc/34/07/12/389340712.db2.gz TWXJAGIDHHVYCD-UHFFFAOYSA-N 0 1 254.286 0.772 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366524435 389303897 /nfs/dbraw/zinc/30/38/97/389303897.db2.gz CQGLWAWYKMGNSP-DNRKLUKYSA-N 0 1 270.285 0.058 20 5 CCBDMN COC(=O)[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000281890054 389632226 /nfs/dbraw/zinc/63/22/26/389632226.db2.gz SVUVZSWUTJFWKN-LURJTMIESA-N 0 1 270.245 0.260 20 5 CCBDMN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCCN1C ZINC000352105784 389753955 /nfs/dbraw/zinc/75/39/55/389753955.db2.gz VSBHTYYSHDKTRV-GZMMTYOYSA-N 0 1 293.327 0.785 20 5 CCBDMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCCCC1=O ZINC000352088040 389749805 /nfs/dbraw/zinc/74/98/05/389749805.db2.gz WLQBIMVWHFSJPO-MRVPVSSYSA-N 0 1 295.299 0.449 20 5 CCBDMN C[C@@H]1CN(CCO)[C@@H](C)CN1c1c([N+](=O)[O-])ncn1C ZINC000419008326 389885843 /nfs/dbraw/zinc/88/58/43/389885843.db2.gz UAWLNACMYPHFPG-VHSXEESVSA-N 0 1 283.332 0.220 20 5 CCBDMN CCn1cc(S(=O)(=O)NCCF)c([N+](=O)[O-])n1 ZINC000435637853 389960330 /nfs/dbraw/zinc/96/03/30/389960330.db2.gz PZXOZEDLRKQZGM-UHFFFAOYSA-N 0 1 266.254 0.059 20 5 CCBDMN CN1CCO[C@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@@H]21 ZINC000579093051 390139648 /nfs/dbraw/zinc/13/96/48/390139648.db2.gz WPOIGPPUVPWVFO-YUMQZZPRSA-N 0 1 270.314 0.571 20 5 CCBDMN COCCN1CCC[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554858568 390443489 /nfs/dbraw/zinc/44/34/89/390443489.db2.gz VSFSVTZEHGEYPG-VIFPVBQESA-N 0 1 297.315 0.159 20 5 CCBDMN Cc1ccnc(Nc2ccn(CCO)n2)c1[N+](=O)[O-] ZINC000525705910 390665686 /nfs/dbraw/zinc/66/56/86/390665686.db2.gz ZSTRDKLPISDIRY-UHFFFAOYSA-N 0 1 263.257 0.653 20 5 CCBDMN COc1ccc2c(c1)OC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000367302606 533286499 /nfs/dbraw/zinc/28/64/99/533286499.db2.gz JXNVWBAYGBQQAS-YUSALJHKSA-N 0 1 292.291 0.780 20 5 CCBDMN Cc1cc(C(=O)N2CCN[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000237638464 131049570 /nfs/dbraw/zinc/04/95/70/131049570.db2.gz MJPBGDDLIHGMBQ-VIFPVBQESA-N 0 1 278.312 0.919 20 5 CCBDMN O=C(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)OCC1CC1 ZINC000269192971 132128889 /nfs/dbraw/zinc/12/88/89/132128889.db2.gz OXKYTDCQWMVKOB-UHFFFAOYSA-N 0 1 294.263 0.983 20 5 CCBDMN Cn1cnc(=NC(=O)c2ccc([N+](=O)[O-])s2)[nH]1 ZINC000356443290 144003604 /nfs/dbraw/zinc/00/36/04/144003604.db2.gz LVOHGJMTWRXEFD-UHFFFAOYSA-N 0 1 253.243 0.459 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000356757510 144030181 /nfs/dbraw/zinc/03/01/81/144030181.db2.gz AOKYLNWHPQGDHZ-CPCISQLKSA-N 0 1 266.253 0.753 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000356844878 144037786 /nfs/dbraw/zinc/03/77/86/144037786.db2.gz INZQEEOKBMEXIM-UWVGGRQHSA-N 0 1 295.343 0.651 20 5 CCBDMN CN(CC(N)=O)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000357840199 144125655 /nfs/dbraw/zinc/12/56/55/144125655.db2.gz QXVBGXQTUMVPLO-UHFFFAOYSA-N 0 1 277.240 0.028 20 5 CCBDMN O=C(NCCNc1ccccc1[N+](=O)[O-])c1ncn[nH]1 ZINC000358439101 144156947 /nfs/dbraw/zinc/15/69/47/144156947.db2.gz XFBOLFQZJHNWKP-UHFFFAOYSA-N 0 1 276.256 0.555 20 5 CCBDMN O=C(NCCNc1ccccc1[N+](=O)[O-])c1nc[nH]n1 ZINC000358439101 144156948 /nfs/dbraw/zinc/15/69/48/144156948.db2.gz XFBOLFQZJHNWKP-UHFFFAOYSA-N 0 1 276.256 0.555 20 5 CCBDMN Cn1cnnc1C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000371438850 144331256 /nfs/dbraw/zinc/33/12/56/144331256.db2.gz NHVYAMHPRYWZTB-NXEZZACHSA-N 0 1 279.300 0.186 20 5 CCBDMN CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCCNC1=O ZINC000372713197 144378627 /nfs/dbraw/zinc/37/86/27/144378627.db2.gz IEROGIGSNWPICB-JTQLQIEISA-N 0 1 281.316 0.392 20 5 CCBDMN CN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 ZINC000285048153 196185517 /nfs/dbraw/zinc/18/55/17/196185517.db2.gz QBCHOGQCALCTCU-WDEREUQCSA-N 0 1 294.311 0.468 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000078006910 177317444 /nfs/dbraw/zinc/31/74/44/177317444.db2.gz URAYHCCXNPRJNI-UHFFFAOYSA-N 0 1 291.267 0.750 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000269298510 278000102 /nfs/dbraw/zinc/00/01/02/278000102.db2.gz BFQUQEIXVIXBNR-UHFFFAOYSA-N 0 1 281.316 0.829 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CCOCC2)c1[N+](=O)[O-] ZINC000269328413 278000524 /nfs/dbraw/zinc/00/05/24/278000524.db2.gz LTBYZYAFDZWENW-UHFFFAOYSA-N 0 1 268.273 0.914 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCN2CCOC[C@@H]2C1 ZINC000332567033 280369055 /nfs/dbraw/zinc/36/90/55/280369055.db2.gz ZZNADFQCPMESLV-LBPRGKRZSA-N 0 1 293.323 0.817 20 5 CCBDMN C[C@H]1CCN(C)CCN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000584180827 327060640 /nfs/dbraw/zinc/06/06/40/327060640.db2.gz FSJNWAJXMLYCEU-VIFPVBQESA-N 0 1 293.327 0.569 20 5 CCBDMN COc1ccc(OCCNC2(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000183817731 335907325 /nfs/dbraw/zinc/90/73/25/335907325.db2.gz LMQZYPUXHFDPQQ-UHFFFAOYSA-N 0 1 295.295 0.590 20 5 CCBDMN CC(C)[N@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000581358744 336060155 /nfs/dbraw/zinc/06/01/55/336060155.db2.gz VAUREZSEGJXEPT-SECBINFHSA-N 0 1 281.316 0.921 20 5 CCBDMN C[C@@H](CN(C)C(=O)c1ccc([N+](=O)[O-])n1C)c1nn[nH]n1 ZINC000358386992 533725364 /nfs/dbraw/zinc/72/53/64/533725364.db2.gz YDGKZAOJDHLBQL-ZETCQYMHSA-N 0 1 293.287 0.322 20 5 CCBDMN O=C(N[C@@H]1CCO[C@H]1C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000367248973 534752721 /nfs/dbraw/zinc/75/27/21/534752721.db2.gz QPPOGHIBWMZCKK-XCBNKYQSSA-N 0 1 266.257 0.615 20 5 CCBDMN CC[C@H]1CN(CC)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000450833772 529291266 /nfs/dbraw/zinc/29/12/66/529291266.db2.gz TZHHWTWVGNXLNL-VIFPVBQESA-N 0 1 280.332 0.718 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](O)C2(C)C)c1[N+](=O)[O-] ZINC000408377651 536001477 /nfs/dbraw/zinc/00/14/77/536001477.db2.gz RKGWIMHTVJFBFW-QMMMGPOBSA-N 0 1 282.300 0.866 20 5 CCBDMN CCc1nn(C)c(NCCc2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000340743176 536181637 /nfs/dbraw/zinc/18/16/37/536181637.db2.gz LODQQCCUOAKVKI-UHFFFAOYSA-N 0 1 279.304 0.972 20 5 CCBDMN CCc1nn(C)c(NCCc2nnc(C)[nH]2)c1[N+](=O)[O-] ZINC000340743176 536181639 /nfs/dbraw/zinc/18/16/39/536181639.db2.gz LODQQCCUOAKVKI-UHFFFAOYSA-N 0 1 279.304 0.972 20 5 CCBDMN CNC(=O)Cc1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000362727833 536303903 /nfs/dbraw/zinc/30/39/03/536303903.db2.gz YSRRLICGECVHTR-UHFFFAOYSA-N 0 1 278.224 0.639 20 5 CCBDMN O=C(NN1CCCC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780698713 581241066 /nfs/dbraw/zinc/24/10/66/581241066.db2.gz BLPFVHQTXNWNCH-UHFFFAOYSA-N 0 1 265.225 0.568 20 5 CCBDMN Cc1cc(CC(=O)OCCn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000756705723 581676181 /nfs/dbraw/zinc/67/61/81/581676181.db2.gz YMYNVBYZVCTRPX-UHFFFAOYSA-N 0 1 279.256 0.609 20 5 CCBDMN C[N@@H+](CC(=O)[O-])Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000737403704 581953690 /nfs/dbraw/zinc/95/36/90/581953690.db2.gz GAXBGRZOZXHLEJ-UHFFFAOYSA-N 0 1 282.252 0.978 20 5 CCBDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000054068684 597475699 /nfs/dbraw/zinc/47/56/99/597475699.db2.gz OCFRDUJYEMNQMW-SSDOTTSWSA-N 0 1 281.268 0.599 20 5 CCBDMN C[C@@H](CNC(=O)[O-])[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000824967707 603996355 /nfs/dbraw/zinc/99/63/55/603996355.db2.gz UYBXDUCZKGCXLX-QMMMGPOBSA-N 0 1 271.277 0.379 20 5 CCBDMN CC(C)OC(=O)[C@H](C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839692854 613996909 /nfs/dbraw/zinc/99/69/09/613996909.db2.gz XYRBKPBASRKVRT-IWSPIJDZSA-N 0 1 258.274 0.356 20 5 CCBDMN COc1ccc([C@@H](CO)CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839796592 617278733 /nfs/dbraw/zinc/27/87/33/617278733.db2.gz CPQBCBOMAJUBKS-RAIGVLPGSA-N 0 1 294.307 0.553 20 5 CCBDMN COc1ccc2c(c1)OC[C@@H](NCC[N+](=O)[O-])C2 ZINC000905187557 617286422 /nfs/dbraw/zinc/28/64/22/617286422.db2.gz CXOYXGWTSATFTA-JTQLQIEISA-N 0 1 252.270 0.865 20 5 CCBDMN COc1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839609945 617299219 /nfs/dbraw/zinc/29/92/19/617299219.db2.gz WKNMUVGMAMAGFF-RKDXNWHRSA-N 0 1 251.242 0.372 20 5 CCBDMN C/C=C(\C)C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940687036 613142006 /nfs/dbraw/zinc/14/20/06/613142006.db2.gz YSQZEHHQDVTEIO-IPANGIIDSA-N 0 1 295.339 0.679 20 5 CCBDMN CC(=O)NCc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000855207172 613944249 /nfs/dbraw/zinc/94/42/49/613944249.db2.gz OHRPOEHKDRAUCT-CHWSQXEVSA-N 0 1 291.307 0.604 20 5 CCBDMN CCC(CC)C(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954234768 614531151 /nfs/dbraw/zinc/53/11/51/614531151.db2.gz JKPAEZYMUVTDHV-VXGBXAGGSA-N 0 1 297.355 0.757 20 5 CCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C=C(C)C)C1 ZINC000967950177 614651345 /nfs/dbraw/zinc/65/13/45/614651345.db2.gz OCKHBLKDUCJWTF-VXGBXAGGSA-N 0 1 295.339 0.677 20 5 CCBDMN CCNC(=O)C[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000836000153 615053510 /nfs/dbraw/zinc/05/35/10/615053510.db2.gz PYEKRXHIFXDOGU-ZETCQYMHSA-N 0 1 269.257 0.994 20 5 CCBDMN CC[C@@H](C)NC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672460 615462475 /nfs/dbraw/zinc/46/24/75/615462475.db2.gz JUDNNQICSPSSSE-BZNPZCIMSA-N 0 1 258.274 0.498 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccoc2)C1 ZINC000954235421 615867416 /nfs/dbraw/zinc/86/74/16/615867416.db2.gz WAHCFSNZRLSBCO-GHMZBOCLSA-N 0 1 293.279 0.228 20 5 CCBDMN C[NH+](C)CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821584570 615884185 /nfs/dbraw/zinc/88/41/85/615884185.db2.gz JKKDUROSRSZJIE-UHFFFAOYSA-N 0 1 292.303 0.534 20 5 CCBDMN C[NH+](C)CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821584570 615884189 /nfs/dbraw/zinc/88/41/89/615884189.db2.gz JKKDUROSRSZJIE-UHFFFAOYSA-N 0 1 292.303 0.534 20 5 CCBDMN CN(C)C(=O)C1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC000840474832 615947130 /nfs/dbraw/zinc/94/71/30/615947130.db2.gz QPQSPOQHQNLKHT-NXEZZACHSA-N 0 1 283.328 0.559 20 5 CCBDMN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839701685 616017587 /nfs/dbraw/zinc/01/75/87/616017587.db2.gz PVYKQWTWZUIFRL-GZLMVOJJSA-N 0 1 288.369 0.848 20 5 CCBDMN C[N@@H+](CC(=O)[O-])Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000820569115 616049918 /nfs/dbraw/zinc/04/99/18/616049918.db2.gz KMMSYAGISZEPFG-UHFFFAOYSA-N 0 1 282.252 0.882 20 5 CCBDMN CN(CCCNC(=O)C1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839741715 616074848 /nfs/dbraw/zinc/07/48/48/616074848.db2.gz GEBNUIITLSMKSU-GHMZBOCLSA-N 0 1 283.328 0.416 20 5 CCBDMN CN(CCNCC[N+](=O)[O-])S(=O)(=O)c1cccs1 ZINC000905178623 616096087 /nfs/dbraw/zinc/09/60/87/616096087.db2.gz YGZHWVXDDBNEIC-UHFFFAOYSA-N 0 1 293.370 0.235 20 5 CCBDMN C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828345853 616127588 /nfs/dbraw/zinc/12/75/88/616127588.db2.gz KQTXFDGDJFWCAH-VIFPVBQESA-N 0 1 283.288 0.475 20 5 CCBDMN CN1C(=O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000840436573 616134312 /nfs/dbraw/zinc/13/43/12/616134312.db2.gz PTJGHLXILLOQRQ-NQBHXWOUSA-N 0 1 289.291 0.651 20 5 CCBDMN CN1C(=O)[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1=O ZINC000877721434 616158979 /nfs/dbraw/zinc/15/89/79/616158979.db2.gz YPDPRMKAEXPRSQ-TXEJJXNPSA-N 0 1 289.291 0.641 20 5 CCBDMN CN1C(=O)c2ccccc2[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000863003067 616159838 /nfs/dbraw/zinc/15/98/38/616159838.db2.gz RZXCALSTEMLKBN-IJLUTSLNSA-N 0 1 289.291 0.595 20 5 CCBDMN CN1C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1=O ZINC000107645745 616159846 /nfs/dbraw/zinc/15/98/46/616159846.db2.gz ZNTJEYJIZXENGG-NXEZZACHSA-N 0 1 289.247 0.516 20 5 CCBDMN CN1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823602833 616185377 /nfs/dbraw/zinc/18/53/77/616185377.db2.gz TXHVJPPSJWNQAN-ZDUSSCGKSA-N 0 1 293.323 0.792 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)n1 ZINC000874833266 616216956 /nfs/dbraw/zinc/21/69/56/616216956.db2.gz LLLRCSGEKDBCPC-ZJUUUORDSA-N 0 1 293.327 0.637 20 5 CCBDMN CN1CC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000895769694 616305398 /nfs/dbraw/zinc/30/53/98/616305398.db2.gz GMWCYOGJZBYOLN-MRVPVSSYSA-N 0 1 262.273 0.754 20 5 CCBDMN CNC(=O)CC[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839762959 616587791 /nfs/dbraw/zinc/58/77/91/616587791.db2.gz WKXCRYMUNMNRIB-GMTAPVOTSA-N 0 1 283.328 0.559 20 5 CCBDMN COCC1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000905969475 616823732 /nfs/dbraw/zinc/82/37/32/616823732.db2.gz AZCYOAANAMLHFY-LBPRGKRZSA-N 0 1 296.323 0.913 20 5 CCBDMN COC(=O)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC000819980513 616902190 /nfs/dbraw/zinc/90/21/90/616902190.db2.gz UUKYBODYSQSPEU-NXEZZACHSA-N 0 1 279.252 0.150 20 5 CCBDMN COC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(O)cc1 ZINC000840421264 617013350 /nfs/dbraw/zinc/01/33/50/617013350.db2.gz AQPICESRNVFTGP-MXWKQRLJSA-N 0 1 294.263 0.388 20 5 CCBDMN CO[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000849806158 617091059 /nfs/dbraw/zinc/09/10/59/617091059.db2.gz DWEWLQUGVUPIOM-ZYUZMQFOSA-N 0 1 259.258 0.246 20 5 CCBDMN O=C(CC1CC1)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978795259 630846470 /nfs/dbraw/zinc/84/64/70/630846470.db2.gz NVLBVDLAHCLRNX-WRWGMCAJSA-N 0 1 295.339 0.463 20 5 CCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000840672416 631688171 /nfs/dbraw/zinc/68/81/71/631688171.db2.gz QAYXMQZBXNGHAM-BWZBUEFSSA-N 0 1 258.274 0.498 20 5 CCBDMN C[C@@H]1[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928433408 631833645 /nfs/dbraw/zinc/83/36/45/631833645.db2.gz TVBWDPOSPFTHQL-OASPWFOLSA-N 0 1 293.323 0.837 20 5 CCBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CN(C)CCN1C ZINC000900803532 634090518 /nfs/dbraw/zinc/09/05/18/634090518.db2.gz JXMSLMLUFPQZBQ-NXEZZACHSA-N 0 1 296.327 0.552 20 5 CCBDMN CC1(CC(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000991291191 635855662 /nfs/dbraw/zinc/85/56/62/635855662.db2.gz RZPIGXLQSMPTNJ-NXEZZACHSA-N 0 1 281.312 0.169 20 5 CCBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H](N2CCC2)C1 ZINC000912914124 636701786 /nfs/dbraw/zinc/70/17/86/636701786.db2.gz WBEFKLDKCWQSSG-QMMMGPOBSA-N 0 1 265.273 0.238 20 5 CCBDMN CN(C)CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194330798 637806996 /nfs/dbraw/zinc/80/69/96/637806996.db2.gz NLZXNNNKNDNLRI-UHFFFAOYSA-N 0 1 291.304 0.574 20 5 CCBDMN Cc1cocc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000997833959 638885652 /nfs/dbraw/zinc/88/56/52/638885652.db2.gz WFCNGEKBIOHIIE-MWLCHTKSSA-N 0 1 293.279 0.194 20 5 CCBDMN C/C=C(/C)C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001795834 639340802 /nfs/dbraw/zinc/34/08/02/639340802.db2.gz KPBIJPVUQOPJTF-LTNPCIDKSA-N 0 1 281.312 0.192 20 5 CCBDMN O=C(NC[C@H](O)c1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839520248 640317151 /nfs/dbraw/zinc/31/71/51/640317151.db2.gz DBFAOBYXGHUPOB-MXWKQRLJSA-N 0 1 268.244 0.641 20 5 CCBDMN O=C(NC[C@@H](O)Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839656528 640348492 /nfs/dbraw/zinc/34/84/92/640348492.db2.gz RGPXLDGKRBOZQX-QJPTWQEYSA-N 0 1 264.281 0.371 20 5 CCBDMN O=C(NC[C@H](O)c1ccsc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839688889 640350654 /nfs/dbraw/zinc/35/06/54/640350654.db2.gz SLURWQAGKPVMRM-HLTSFMKQSA-N 0 1 256.283 0.563 20 5 CCBDMN O=C(NCCn1c(=O)[nH]c2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839699223 640351289 /nfs/dbraw/zinc/35/12/89/640351289.db2.gz DCKKDCKDFLJDFP-LDYMZIIASA-N 0 1 290.279 0.523 20 5 CCBDMN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839694451 640351722 /nfs/dbraw/zinc/35/17/22/640351722.db2.gz WNLIDCFRIFVADH-NZXMKCKXSA-N 0 1 280.328 0.749 20 5 CCBDMN NC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701458 640352095 /nfs/dbraw/zinc/35/20/95/640352095.db2.gz LJDUVKKIEJMGME-SGIHWFKDSA-N 0 1 269.301 0.202 20 5 CCBDMN NC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839679384 640352676 /nfs/dbraw/zinc/35/26/76/640352676.db2.gz IHKKDZJJJFDSKW-GHMZBOCLSA-N 0 1 277.280 0.166 20 5 CCBDMN O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839704984 640355432 /nfs/dbraw/zinc/35/54/32/640355432.db2.gz GQOLADQXYXHEDL-IJLUTSLNSA-N 0 1 295.339 0.701 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000839716174 640356336 /nfs/dbraw/zinc/35/63/36/640356336.db2.gz MIWZEXBDJDUWST-IWSPIJDZSA-N 0 1 295.261 0.747 20 5 CCBDMN O=C(N[C@H](CO)Cc1ccc(O)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839724559 640357843 /nfs/dbraw/zinc/35/78/43/640357843.db2.gz DHCZUIRITHIUEU-MVWJERBFSA-N 0 1 280.280 0.077 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](OC(F)F)C1 ZINC000839722614 640358405 /nfs/dbraw/zinc/35/84/05/640358405.db2.gz ZDUKWAYTFNGPMG-BWZBUEFSSA-N 0 1 264.228 0.882 20 5 CCBDMN O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839775637 640363053 /nfs/dbraw/zinc/36/30/53/640363053.db2.gz GYBWKSFBINTZQX-COMQUAJESA-N 0 1 290.319 0.934 20 5 CCBDMN COc1cccnc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839789826 640366168 /nfs/dbraw/zinc/36/61/68/640366168.db2.gz ICOQSHZAFIGLTA-VXNVDRBHSA-N 0 1 251.242 0.372 20 5 CCBDMN Cn1nncc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819314735 641400183 /nfs/dbraw/zinc/40/01/83/641400183.db2.gz JHHBXNMUJOUIRO-GFCCVEGCSA-N 0 1 277.284 0.547 20 5 CCBDMN O=C([O-])C[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000833211903 642534774 /nfs/dbraw/zinc/53/47/74/642534774.db2.gz REFMWCBJWKKBMH-MRVPVSSYSA-N 0 1 254.246 0.688 20 5 CCBDMN O=C([O-])C[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000833211903 642534778 /nfs/dbraw/zinc/53/47/78/642534778.db2.gz REFMWCBJWKKBMH-MRVPVSSYSA-N 0 1 254.246 0.688 20 5 CCBDMN O=C(OCCCN1CCOC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670455 642785329 /nfs/dbraw/zinc/78/53/29/642785329.db2.gz FXBLCWYCTFZOCZ-HTQZYQBOSA-N 0 1 258.230 0.037 20 5 CCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000840672782 642786196 /nfs/dbraw/zinc/78/61/96/642786196.db2.gz QGIVPEDQASRTNG-NXEZZACHSA-N 0 1 294.219 0.986 20 5 CCBDMN NC(=O)[C@@H](Cc1ccc(F)cc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673535 642786667 /nfs/dbraw/zinc/78/66/67/642786667.db2.gz RRUGGNVIIQUUKN-GMTAPVOTSA-N 0 1 296.254 0.431 20 5 CCBDMN O=C(O[C@@H]1CC(=O)NC12CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000842903156 642970688 /nfs/dbraw/zinc/97/06/88/642970688.db2.gz YNLXUVLMKJSRQO-IWSPIJDZSA-N 0 1 268.269 0.396 20 5 CCBDMN C[C@H](N[C@H]1CCNC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850480458 643802152 /nfs/dbraw/zinc/80/21/52/643802152.db2.gz BMNXNVQZSFUICG-XVKPBYJWSA-N 0 1 264.285 0.716 20 5 CCBDMN O=C1CCC2=C(CCN(CCn3cc([N+](=O)[O-])cn3)C2)N1 ZINC000852297878 643951385 /nfs/dbraw/zinc/95/13/85/643951385.db2.gz QOEDUPCTLHJIRX-UHFFFAOYSA-N 0 1 291.311 0.661 20 5 CCBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(CO)(CO)C2)cc1 ZINC000852629760 643983537 /nfs/dbraw/zinc/98/35/37/643983537.db2.gz LSDRKFBEMWVKEO-ZDUSSCGKSA-N 0 1 296.323 0.305 20 5 CCBDMN O=C(N[C@H](CCO)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000854614230 644236528 /nfs/dbraw/zinc/23/65/28/644236528.db2.gz UYBWRAMKDIMSHI-HSUXUTPPSA-N 0 1 256.180 0.081 20 5 CCBDMN C[C@@H](CO)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855460458 644321457 /nfs/dbraw/zinc/32/14/57/644321457.db2.gz DPNFUAJYTJVIAU-ZRUFSTJUSA-N 0 1 256.302 0.661 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000857279789 644491316 /nfs/dbraw/zinc/49/13/16/644491316.db2.gz DFOBELRJNZYACV-LZQZFOIKSA-N 0 1 284.312 0.040 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC=C[C@@H]2CO)cc1 ZINC000880489702 647211267 /nfs/dbraw/zinc/21/12/67/647211267.db2.gz XFYFLGLIQTZFQG-CHWSQXEVSA-N 0 1 264.281 0.861 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2COCCN2)c1C ZINC000884436959 647736980 /nfs/dbraw/zinc/73/69/80/647736980.db2.gz TUOBKIPDACQVGU-NSHDSACASA-N 0 1 293.323 0.930 20 5 CCBDMN O=C(NCCCNc1ncccn1)c1n[nH]cc1[N+](=O)[O-] ZINC000136500624 647895463 /nfs/dbraw/zinc/89/54/63/647895463.db2.gz BLKALHAEDUJDNG-UHFFFAOYSA-N 0 1 291.271 0.340 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000887853809 648162749 /nfs/dbraw/zinc/16/27/49/648162749.db2.gz QMUYABKVDVJMSW-NNYUYHANSA-N 0 1 284.312 0.448 20 5 CCBDMN C[C@H]1[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CCN1C ZINC000928438797 648634463 /nfs/dbraw/zinc/63/44/63/648634463.db2.gz HKSVAUOSMAYLCY-JGVFFNPUSA-N 0 1 267.289 0.151 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C)CC1(C)C ZINC000935174038 649214820 /nfs/dbraw/zinc/21/48/20/649214820.db2.gz XWQQABSBVYYPQC-UHFFFAOYSA-N 0 1 295.343 0.652 20 5 CCBDMN COc1nc(N2C[C@H](C)N(C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001164631643 719147522 /nfs/dbraw/zinc/14/75/22/719147522.db2.gz OAXXOHOTDZLKMJ-DTWKUNHWSA-N 0 1 281.316 0.922 20 5 CCBDMN CN1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001164670681 719404415 /nfs/dbraw/zinc/40/44/15/719404415.db2.gz XJZXXLPTIRSGEF-ZJUUUORDSA-N 0 1 279.300 0.091 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(OC[C@H]2CN(C)CCO2)n1 ZINC001231261298 805763552 /nfs/dbraw/zinc/76/35/52/805763552.db2.gz AKKHRHPDSMZICH-SECBINFHSA-N 0 1 283.284 0.713 20 5 CCBDMN O=C(NCCc1cc[nH]n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001153780143 800664260 /nfs/dbraw/zinc/66/42/60/800664260.db2.gz BQVXHJIVZQXWGC-UHFFFAOYSA-N 0 1 276.252 0.996 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2ncc(F)cc2[N+](=O)[O-])S1 ZINC001155837649 801062808 /nfs/dbraw/zinc/06/28/08/801062808.db2.gz QMAISXQJPSGAFX-SSDOTTSWSA-N 0 1 272.217 0.850 20 5 CCBDMN CN1CC[C@H](Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001156580462 801191289 /nfs/dbraw/zinc/19/12/89/801191289.db2.gz DMZGKRURPXWRRF-ZETCQYMHSA-N 0 1 272.692 0.998 20 5 CCBDMN CCOC(=O)c1c(CN)ncn1-c1ccc([N+](=O)[O-])cn1 ZINC001162530661 802359726 /nfs/dbraw/zinc/35/97/26/802359726.db2.gz NEMFVDMXXCVLOQ-UHFFFAOYSA-N 0 1 291.267 0.811 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2COC(=O)C2)cc1O ZINC001228812826 805481021 /nfs/dbraw/zinc/48/10/21/805481021.db2.gz YPDWHVNLIRNIAX-LURJTMIESA-N 0 1 297.219 0.781 20 5 CCBDMN CO[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC001261748032 809075732 /nfs/dbraw/zinc/07/57/32/809075732.db2.gz FIODMMDBPBWQCF-IONNQARKSA-N 0 1 284.272 0.099 20 5 CCBDMN COCC[C@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC001263255156 809497741 /nfs/dbraw/zinc/49/77/41/809497741.db2.gz VHVRIMHCSFYCLY-VIFPVBQESA-N 0 1 283.284 0.638 20 5 CCBDMN CC(C)(O)CC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001126476757 813857742 /nfs/dbraw/zinc/85/77/42/813857742.db2.gz HWGQYLWWDXMWKA-UHFFFAOYSA-N 0 1 295.339 0.962 20 5 CCBDMN CO[C@@H]1CCN(CCOc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733389 814115082 /nfs/dbraw/zinc/11/50/82/814115082.db2.gz NZPJPLYYSXTHIJ-SNVBAGLBSA-N 0 1 268.273 0.484 20 5 CCBDMN O=C(NC1(CO)C2CC3CC(C2)CC1C3)[C@@H]1CC1[N+](=O)[O-] ZINC000840524857 814293997 /nfs/dbraw/zinc/29/39/97/814293997.db2.gz VJKSXYBFIGFTEB-WVICUFPUSA-N 0 1 294.351 0.955 20 5 CCBDMN Nc1cc([N+](=O)[O-])cnc1NCCNC(=O)C(F)(F)F ZINC001156205235 835992784 /nfs/dbraw/zinc/99/27/84/835992784.db2.gz OMURNMMBQCAGEH-UHFFFAOYSA-N 0 1 293.205 0.662 20 5 CCBDMN O=C1NC(=O)[C@H](N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)S1 ZINC001168961894 836085069 /nfs/dbraw/zinc/08/50/69/836085069.db2.gz LAOPFOOREDFXSY-GKROBHDKSA-N 0 1 259.287 0.331 20 5 CCBDMN O=C1[N-]C(=O)[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)S1 ZINC001168961894 836085081 /nfs/dbraw/zinc/08/50/81/836085081.db2.gz LAOPFOOREDFXSY-GKROBHDKSA-N 0 1 259.287 0.331 20 5 CCBDMN CCC(=O)N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005250 836094888 /nfs/dbraw/zinc/09/48/88/836094888.db2.gz AAWMSHAEBBSENA-RYUDHWBXSA-N 0 1 269.345 0.986 20 5 CCBDMN COC(=O)N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007329 836096818 /nfs/dbraw/zinc/09/68/18/836096818.db2.gz MOAQQDYNEINFDZ-QWRGUYRKSA-N 0 1 271.317 0.816 20 5 CCBDMN CS(=O)(=O)[C@H]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037975 836111610 /nfs/dbraw/zinc/11/16/10/836111610.db2.gz UOHJAVVLEHROHY-MXWKQRLJSA-N 0 1 276.358 0.551 20 5 CCBDMN COc1ccnc(-n2[n-]c(=O)c(CC[NH3+])c2C)c1[N+](=O)[O-] ZINC001170339915 837320901 /nfs/dbraw/zinc/32/09/01/837320901.db2.gz ISFYXCQDCIGLTO-UHFFFAOYSA-N 0 1 293.283 0.699 20 5 CCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCN2CC[C@H]2C1 ZINC001158433079 838177233 /nfs/dbraw/zinc/17/72/33/838177233.db2.gz MQZPWXCBBKQVCZ-JTQLQIEISA-N 0 1 264.285 0.431 20 5 CCBDMN CC[C@@](N)(CO)Nc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001170866142 839463894 /nfs/dbraw/zinc/46/38/94/839463894.db2.gz NZDOEBOUMCAIFX-LBPRGKRZSA-N 0 1 280.284 0.307 20 5 CCBDMN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCc1nc[nH]n1 ZINC001136780770 839761166 /nfs/dbraw/zinc/76/11/66/839761166.db2.gz SCDKXPBHWCKTSB-UHFFFAOYSA-N 0 1 276.256 0.268 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001175570345 842260794 /nfs/dbraw/zinc/26/07/94/842260794.db2.gz WXEGZYSWFCBEMN-PHIMTYICSA-N 0 1 282.296 0.333 20 5 CCBDMN O=C(NC1(c2ncon2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001179143673 842964677 /nfs/dbraw/zinc/96/46/77/842964677.db2.gz SUNBYFYXFWMXHU-RNFRBKRXSA-N 0 1 252.230 0.230 20 5 CCBDMN CC(=O)N[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC001195306964 846500008 /nfs/dbraw/zinc/50/00/08/846500008.db2.gz NZVOMNSRTUNPAL-JTQLQIEISA-N 0 1 267.289 0.002 20 5 CCBDMN CCC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073013312 854516036 /nfs/dbraw/zinc/51/60/36/854516036.db2.gz ZPSSTOVCQPFWRF-NXEZZACHSA-N 0 1 283.328 0.559 20 5 CCBDMN NC(=O)c1nc(Cl)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001117955333 856119911 /nfs/dbraw/zinc/11/99/11/856119911.db2.gz HTSPUCHGFYQCNX-INEUFUBQSA-N 0 1 284.659 0.438 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)c1[N+](=O)[O-] ZINC001324088795 912659971 /nfs/dbraw/zinc/65/99/71/912659971.db2.gz WDVWERUAZCEFHD-USUYBEQLSA-N 0 1 294.311 0.859 20 5 CCBDMN Cc1occc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001293128205 906419643 /nfs/dbraw/zinc/41/96/43/906419643.db2.gz BYRMQLKSUHYVKG-GHMZBOCLSA-N 0 1 295.295 0.489 20 5 CCBDMN COCCCOC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001293846747 906518893 /nfs/dbraw/zinc/51/88/93/906518893.db2.gz SIHUUDXKEDHWLJ-VXGBXAGGSA-N 0 1 286.328 0.696 20 5 CCBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)c1[nH]ncc1F ZINC001294740475 906629179 /nfs/dbraw/zinc/62/91/79/906629179.db2.gz CVHXMEOVLLPEQP-UHFFFAOYSA-N 0 1 268.208 0.084 20 5 CCBDMN C[C@@]1(CO)C[C@H](O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001301121050 907953879 /nfs/dbraw/zinc/95/38/79/907953879.db2.gz AYSZXNQMNXZRIO-AAEUAGOBSA-N 0 1 296.279 0.258 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](O)CC(C)(C)C2)c1[N+](=O)[O-] ZINC001302517460 908028404 /nfs/dbraw/zinc/02/84/04/908028404.db2.gz MEKAVALJYYWSDF-QMMMGPOBSA-N 0 1 282.300 0.859 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(Cc2c[nH]cn2)CC1 ZINC001305934040 908229178 /nfs/dbraw/zinc/22/91/78/908229178.db2.gz NLNIAMOBWMFZAC-VXGBXAGGSA-N 0 1 278.312 0.856 20 5 CCBDMN CNC(=O)[C@@H]1CCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC001307682817 908332479 /nfs/dbraw/zinc/33/24/79/908332479.db2.gz MDAQTGTXWNNTTG-NXEZZACHSA-N 0 1 281.316 0.333 20 5 CCBDMN COC(=O)CN(CC(C)C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC001319587137 910217522 /nfs/dbraw/zinc/21/75/22/910217522.db2.gz KXIQNWYQRVBWIX-UHFFFAOYSA-N 0 1 298.299 0.898 20 5 CCBDMN CC(=O)N1CCC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001322458934 911815974 /nfs/dbraw/zinc/81/59/74/911815974.db2.gz FCNRFMUEHWPBCQ-SECBINFHSA-N 0 1 295.299 0.306 20 5 CCBDMN Cc1cc(=O)n(C)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001323176995 912154996 /nfs/dbraw/zinc/15/49/96/912154996.db2.gz IZLVSVOIXATLKE-UHFFFAOYSA-N 0 1 277.240 0.577 20 5 CCBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCNC[C@H]1CO ZINC001342441598 922964152 /nfs/dbraw/zinc/96/41/52/922964152.db2.gz WOUYEQQOXZIYDU-NSHDSACASA-N 0 1 279.296 0.310 20 5 CCBDMN O=C(NCCCNC(=O)C1CC=CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001349843245 925077180 /nfs/dbraw/zinc/07/71/80/925077180.db2.gz JFJULUNJYXCFJY-GHMZBOCLSA-N 0 1 281.312 0.240 20 5 CCBDMN CNC(=O)Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001349860015 925078673 /nfs/dbraw/zinc/07/86/73/925078673.db2.gz AKOSVXNYCWTAAC-GHMZBOCLSA-N 0 1 277.280 0.579 20 5 CCBDMN CCCC(=O)NCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001350973317 925325855 /nfs/dbraw/zinc/32/58/55/925325855.db2.gz QIGVLGCLTVLXEU-VXGBXAGGSA-N 0 1 297.355 0.807 20 5 CCBDMN O=C(NCC(F)(F)F)[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC001351332781 925406217 /nfs/dbraw/zinc/40/62/17/925406217.db2.gz MLIZGZUIKIOONZ-ZETCQYMHSA-N 0 1 269.223 0.264 20 5 CCBDMN C/C(=C\C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001355592126 926290508 /nfs/dbraw/zinc/29/05/08/926290508.db2.gz PMSHHOHZOSZOQN-FUDMEFDJSA-N 0 1 295.339 0.583 20 5 CCBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC001589441924 954731732 /nfs/dbraw/zinc/73/17/32/954731732.db2.gz YMNHJJIEXWXFOX-JTQLQIEISA-N 0 1 283.284 0.552 20 5 CCBDMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001593966628 956553529 /nfs/dbraw/zinc/55/35/29/956553529.db2.gz KHDTWBQBSQFXAP-LBPRGKRZSA-N 0 1 298.299 0.251 20 5 CCBDMN C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C(=O)[O-])C1 ZINC001598612777 993813532 /nfs/dbraw/zinc/81/35/32/993813532.db2.gz AHENQHAXVWBPMX-QMMMGPOBSA-N 0 1 297.267 0.276 20 5 CCBDMN C[C@]1(CO)CN(CCn2cc([N+](=O)[O-])cn2)C[C@@]1(C)CO ZINC000599623358 361762838 /nfs/dbraw/zinc/76/28/38/361762838.db2.gz MKYZTOZMHAAKOA-BETUJISGSA-N 0 1 298.343 0.104 20 5 CCBDMN COCCN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)C(N)=O ZINC000093137130 349527347 /nfs/dbraw/zinc/52/73/47/349527347.db2.gz VOMXWMGFZNEOGO-VIFPVBQESA-N 0 1 297.311 0.623 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599780664 361812035 /nfs/dbraw/zinc/81/20/35/361812035.db2.gz RSGKKGALJPXQQX-GFCCVEGCSA-N 0 1 294.311 0.783 20 5 CCBDMN O=C(NCCN1CC[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599780664 361812043 /nfs/dbraw/zinc/81/20/43/361812043.db2.gz RSGKKGALJPXQQX-GFCCVEGCSA-N 0 1 294.311 0.783 20 5 CCBDMN O=C(NCCc1nc[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000093653334 349547957 /nfs/dbraw/zinc/54/79/57/349547957.db2.gz KGLZMALTXCYNMM-UHFFFAOYSA-N 0 1 279.231 0.825 20 5 CCBDMN O=C(NCCN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000600809067 362066064 /nfs/dbraw/zinc/06/60/64/362066064.db2.gz RLKGBBOQWNWISQ-LBPRGKRZSA-N 0 1 279.296 0.391 20 5 CCBDMN C[C@@H](CC(C)(C)O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600823581 362072454 /nfs/dbraw/zinc/07/24/54/362072454.db2.gz GXBZQRGQKPRZNG-LURJTMIESA-N 0 1 256.262 0.597 20 5 CCBDMN CCCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000118494683 349903404 /nfs/dbraw/zinc/90/34/04/349903404.db2.gz DROFJZWUCUFWKH-SECBINFHSA-N 0 1 295.343 0.952 20 5 CCBDMN CC[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1O ZINC000602495881 362645747 /nfs/dbraw/zinc/64/57/47/362645747.db2.gz YUAMPSNJUDIZQK-WPRPVWTQSA-N 0 1 254.290 0.531 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCNC[C@H]1C(C)C ZINC000602526991 362658801 /nfs/dbraw/zinc/65/88/01/362658801.db2.gz HHGVKRDYKSSAQQ-NSHDSACASA-N 0 1 295.343 0.556 20 5 CCBDMN COC[C@H](NCc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602806072 362810621 /nfs/dbraw/zinc/81/06/21/362810621.db2.gz SGKABEIKWXUMKG-JTQLQIEISA-N 0 1 254.290 0.843 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](n2cncn2)C1 ZINC000602819685 362818892 /nfs/dbraw/zinc/81/88/92/362818892.db2.gz QUFDRPPCHKGKEW-NSHDSACASA-N 0 1 291.315 0.638 20 5 CCBDMN COC(=O)[C@@H]1CCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602835191 362826392 /nfs/dbraw/zinc/82/63/92/362826392.db2.gz HFZJKEQVFNAVCH-ZJUUUORDSA-N 0 1 282.300 0.760 20 5 CCBDMN CC[C@@H](C)N(CCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602825413 362821884 /nfs/dbraw/zinc/82/18/84/362821884.db2.gz AFONCRHAFGGRJZ-SECBINFHSA-N 0 1 256.306 0.921 20 5 CCBDMN C[C@@H]1[C@H](C)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262168796 137029398 /nfs/dbraw/zinc/02/93/98/137029398.db2.gz AOFQXTMOJRSHMD-VHSXEESVSA-N 0 1 299.352 0.966 20 5 CCBDMN NC(=O)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000343176387 137119253 /nfs/dbraw/zinc/11/92/53/137119253.db2.gz MOYHRAIXQBTLRD-SECBINFHSA-N 0 1 289.251 0.274 20 5 CCBDMN O=C(NCCc1ccc(O)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000343217851 137121253 /nfs/dbraw/zinc/12/12/53/137121253.db2.gz PVRBRFKLHUCBNK-UHFFFAOYSA-N 0 1 276.252 0.996 20 5 CCBDMN COc1cc([N+](=O)[O-])ccc1CN1[C@@H](CO)CC[C@@H]1CO ZINC000347284590 137328696 /nfs/dbraw/zinc/32/86/96/137328696.db2.gz YWLMMZICKMXRTG-CHWSQXEVSA-N 0 1 296.323 0.921 20 5 CCBDMN NC(=O)c1ccc(CN2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000050116448 348468784 /nfs/dbraw/zinc/46/87/84/348468784.db2.gz SYOITCZVRFDJSX-LLVKDONJSA-N 0 1 279.296 0.650 20 5 CCBDMN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000088058935 179541872 /nfs/dbraw/zinc/54/18/72/179541872.db2.gz YITIPMLWWINNKS-JTQLQIEISA-N 0 1 263.297 0.958 20 5 CCBDMN CN(C)c1nc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cs1 ZINC000127251339 350165388 /nfs/dbraw/zinc/16/53/88/350165388.db2.gz DZQAXUUXYGFBJO-UHFFFAOYSA-N 0 1 296.312 0.770 20 5 CCBDMN CCN(C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000135865710 350408698 /nfs/dbraw/zinc/40/86/98/350408698.db2.gz OYMQIMLJAGUHQX-UHFFFAOYSA-N 0 1 287.341 0.825 20 5 CCBDMN C[NH+]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000166634319 350800177 /nfs/dbraw/zinc/80/01/77/350800177.db2.gz LQXUDBBVBCNDEU-UHFFFAOYSA-N 0 1 266.257 0.440 20 5 CCBDMN C[NH+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000170859672 350868522 /nfs/dbraw/zinc/86/85/22/350868522.db2.gz OMEGQADAPWIKPU-MRVPVSSYSA-N 0 1 280.284 0.472 20 5 CCBDMN Cc1cc(C(=O)N(C)Cc2nnc[nH]2)c(N)c([N+](=O)[O-])c1 ZINC000174165039 351072850 /nfs/dbraw/zinc/07/28/50/351072850.db2.gz BVFBOJHEYNIPLB-UHFFFAOYSA-N 0 1 290.283 0.876 20 5 CCBDMN C[N@@H+]1CC[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186993474 351525671 /nfs/dbraw/zinc/52/56/71/351525671.db2.gz TVJDALNEZCLYHF-MRVPVSSYSA-N 0 1 280.284 0.377 20 5 CCBDMN C[N@H+]1CC[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186993474 351525677 /nfs/dbraw/zinc/52/56/77/351525677.db2.gz TVJDALNEZCLYHF-MRVPVSSYSA-N 0 1 280.284 0.377 20 5 CCBDMN C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000188388630 351591988 /nfs/dbraw/zinc/59/19/88/351591988.db2.gz QLNYDKCADVEKSM-QMMMGPOBSA-N 0 1 294.311 0.908 20 5 CCBDMN C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000188388630 351591991 /nfs/dbraw/zinc/59/19/91/351591991.db2.gz QLNYDKCADVEKSM-QMMMGPOBSA-N 0 1 294.311 0.908 20 5 CCBDMN Cn1c(C(=O)N[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000604199951 363183321 /nfs/dbraw/zinc/18/33/21/363183321.db2.gz YBRAMOVAMNNLKG-SECBINFHSA-N 0 1 266.301 0.757 20 5 CCBDMN CN(C)CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266587567 352712095 /nfs/dbraw/zinc/71/20/95/352712095.db2.gz WOZPGBHMVPLMBE-UHFFFAOYSA-N 0 1 251.286 0.815 20 5 CCBDMN COc1ccc(NC(=O)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000136481069 187880505 /nfs/dbraw/zinc/88/05/05/187880505.db2.gz BMNDZLJFLZBZMG-LLVKDONJSA-N 0 1 281.268 0.530 20 5 CCBDMN Cc1noc(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000272457024 353065492 /nfs/dbraw/zinc/06/54/92/353065492.db2.gz BRUOCGXNVOZFQY-UHFFFAOYSA-N 0 1 292.251 0.964 20 5 CCBDMN CCOCCOC1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000272227413 353045361 /nfs/dbraw/zinc/04/53/61/353045361.db2.gz LKLGBMQNOGTREW-UHFFFAOYSA-N 0 1 298.299 0.504 20 5 CCBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)CN1CCO ZINC000419000536 234283904 /nfs/dbraw/zinc/28/39/04/234283904.db2.gz KLPSHMGJAPBUDK-ZJUUUORDSA-N 0 1 281.316 0.276 20 5 CCBDMN COC(=O)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000154128290 188124441 /nfs/dbraw/zinc/12/44/41/188124441.db2.gz ZNJNDTHUSXGNBF-ZETCQYMHSA-N 0 1 270.245 0.245 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCOCC1 ZINC000155618161 188216384 /nfs/dbraw/zinc/21/63/84/188216384.db2.gz JYDASOQAVNAKDD-ZETCQYMHSA-N 0 1 268.273 0.863 20 5 CCBDMN C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000282211176 353403502 /nfs/dbraw/zinc/40/35/02/353403502.db2.gz PLDYOCYLRQJPMY-WRWORJQWSA-N 0 1 293.279 0.555 20 5 CCBDMN O=[N+]([O-])c1ccccc1CN1[C@@H](CO)CC[C@@H]1CO ZINC000287619025 353658045 /nfs/dbraw/zinc/65/80/45/353658045.db2.gz ZQABKHJCODBSRU-VXGBXAGGSA-N 0 1 266.297 0.912 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000299548979 354026668 /nfs/dbraw/zinc/02/66/68/354026668.db2.gz QGOCDAVXSLFZKY-SSDOTTSWSA-N 0 1 254.246 0.223 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000304510803 354118386 /nfs/dbraw/zinc/11/83/86/354118386.db2.gz UTJAOSRGXCMPQI-SSDOTTSWSA-N 0 1 268.273 0.477 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(O)CC1 ZINC000305270416 354143028 /nfs/dbraw/zinc/14/30/28/354143028.db2.gz XQZBOICDPIKMQQ-UHFFFAOYSA-N 0 1 267.285 0.213 20 5 CCBDMN CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1nn[nH]n1 ZINC000531824971 358484311 /nfs/dbraw/zinc/48/43/11/358484311.db2.gz QMQULTYWFQVSKC-QMMMGPOBSA-N 0 1 293.287 0.718 20 5 CCBDMN CC[C@]1(O)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000332662241 354714448 /nfs/dbraw/zinc/71/44/48/354714448.db2.gz OEXVNMFUQSCPQE-NSHDSACASA-N 0 1 268.273 0.613 20 5 CCBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000332462034 354679412 /nfs/dbraw/zinc/67/94/12/354679412.db2.gz PSXCDGKWOPWFME-UHFFFAOYSA-N 0 1 266.253 0.896 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000337107321 355266066 /nfs/dbraw/zinc/26/60/66/355266066.db2.gz BMZNUWGJUZLESA-ZETCQYMHSA-N 0 1 281.272 0.059 20 5 CCBDMN Cn1cc([C@@H](CO)NCc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000339085523 355484712 /nfs/dbraw/zinc/48/47/12/355484712.db2.gz ODUCUFSYFFCJEX-GFCCVEGCSA-N 0 1 292.295 0.857 20 5 CCBDMN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)[C@H](C)C1 ZINC000359635255 356862287 /nfs/dbraw/zinc/86/22/87/356862287.db2.gz NRJSSFMGYJGKHQ-GHMZBOCLSA-N 0 1 280.328 0.881 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@H]1CN1CCOCC1 ZINC000365252361 357137621 /nfs/dbraw/zinc/13/76/21/357137621.db2.gz IOIATTYRLYOWJO-YNEHKIRRSA-N 0 1 297.355 0.365 20 5 CCBDMN C[C@H]1CCC[C@]1(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000294396665 199024831 /nfs/dbraw/zinc/02/48/31/199024831.db2.gz SUPXCCQZICKKCR-CPCISQLKSA-N 0 1 268.273 0.599 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000450785298 236112054 /nfs/dbraw/zinc/11/20/54/236112054.db2.gz AHJKULFDXHLFSG-AOOOYVTPSA-N 0 1 281.316 0.603 20 5 CCBDMN Cc1nn(C)c(NCCN2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000450798373 236112925 /nfs/dbraw/zinc/11/29/25/236112925.db2.gz YVQMTSISRLOGAK-PHIMTYICSA-N 0 1 295.343 0.912 20 5 CCBDMN C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](C)CN1C ZINC000408075332 357905008 /nfs/dbraw/zinc/90/50/08/357905008.db2.gz YVROBCYBCXSUMW-NXEZZACHSA-N 0 1 281.316 0.342 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC(O)(C3CC3)C2)c1[N+](=O)[O-] ZINC000408321042 358033608 /nfs/dbraw/zinc/03/36/08/358033608.db2.gz NTWLWKNNDYIGQR-UHFFFAOYSA-N 0 1 266.257 0.223 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C1 ZINC000579971901 359072073 /nfs/dbraw/zinc/07/20/73/359072073.db2.gz JITLWIMJIIYGFZ-DTORHVGOSA-N 0 1 281.316 0.873 20 5 CCBDMN O=c1c([N+](=O)[O-])cc(Cl)cn1CCc1c[nH]nn1 ZINC000579921692 359061421 /nfs/dbraw/zinc/06/14/21/359061421.db2.gz ZQRJPIPXPJSDJD-UHFFFAOYSA-N 0 1 269.648 0.771 20 5 CCBDMN O=c1c([N+](=O)[O-])cc(Cl)cn1CCc1cnn[nH]1 ZINC000579921692 359061423 /nfs/dbraw/zinc/06/14/23/359061423.db2.gz ZQRJPIPXPJSDJD-UHFFFAOYSA-N 0 1 269.648 0.771 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000610951240 363637407 /nfs/dbraw/zinc/63/74/07/363637407.db2.gz ZHXQOEFUGJSJCX-ZETCQYMHSA-N 0 1 268.273 0.877 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000588849321 359340870 /nfs/dbraw/zinc/34/08/70/359340870.db2.gz VWUSHZCSBPAYDM-UHFFFAOYSA-N 0 1 278.224 0.956 20 5 CCBDMN CN1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 ZINC000590044252 359419276 /nfs/dbraw/zinc/41/92/76/359419276.db2.gz JFQYYMIETYYUCM-DTWKUNHWSA-N 0 1 265.269 0.964 20 5 CCBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[NH+](C)CC2)n1 ZINC000592963988 360004394 /nfs/dbraw/zinc/00/43/94/360004394.db2.gz JGQRRYFPQLRFRB-UHFFFAOYSA-N 0 1 280.284 0.748 20 5 CCBDMN CC1(C)[C@H](O)C[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000594004169 360233507 /nfs/dbraw/zinc/23/35/07/360233507.db2.gz WOSDTKRTTIUBIL-VXGBXAGGSA-N 0 1 293.323 0.943 20 5 CCBDMN C[C@H](CO)[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594759499 360376896 /nfs/dbraw/zinc/37/68/96/360376896.db2.gz OLSAAXXBCZTIGF-SFYZADRCSA-N 0 1 289.313 0.285 20 5 CCBDMN C[C@@H]1C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CO1 ZINC000594798187 360385422 /nfs/dbraw/zinc/38/54/22/360385422.db2.gz ZWSYFMCBQMZPKA-SFYZADRCSA-N 0 1 287.297 0.446 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1COCCO1 ZINC000595736487 360634803 /nfs/dbraw/zinc/63/48/03/360634803.db2.gz LXLPZOGYJXJHFO-GFCCVEGCSA-N 0 1 297.311 0.104 20 5 CCBDMN CN(CC1CN(C)C1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596452889 360899164 /nfs/dbraw/zinc/89/91/64/360899164.db2.gz HOPBUYRYOVFMEK-UHFFFAOYSA-N 0 1 279.300 0.087 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCCCN2)c1[N+](=O)[O-] ZINC000597641392 361170428 /nfs/dbraw/zinc/17/04/28/361170428.db2.gz BXYPFLTYPAIQNV-UHFFFAOYSA-N 0 1 253.262 0.621 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000598162618 361346759 /nfs/dbraw/zinc/34/67/59/361346759.db2.gz KNOVMEJQQBPATG-UHFFFAOYSA-N 0 1 278.312 0.811 20 5 CCBDMN CC(C)(C(=O)NCCn1cc([N+](=O)[O-])cn1)c1cnc[nH]1 ZINC000598691690 361486885 /nfs/dbraw/zinc/48/68/85/361486885.db2.gz OWPUKWCPJRRRNO-UHFFFAOYSA-N 0 1 292.299 0.608 20 5 CCBDMN CN(CC1C[NH+](C)C1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598770736 361512026 /nfs/dbraw/zinc/51/20/26/361512026.db2.gz MSVZZVKCFMMBHU-UHFFFAOYSA-N 0 1 280.284 0.329 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCc3nc[nH]c3C2)c1 ZINC000599423170 361692852 /nfs/dbraw/zinc/69/28/52/361692852.db2.gz VOSUYCUTODJMBF-UHFFFAOYSA-N 0 1 262.273 0.573 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@]2(CCCOC2)C1 ZINC000376010459 296073539 /nfs/dbraw/zinc/07/35/39/296073539.db2.gz BEADJLRUPOEUGF-FOGDFJRCSA-N 0 1 270.285 0.060 20 5 CCBDMN NC(=O)C1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000616008934 365156824 /nfs/dbraw/zinc/15/68/24/365156824.db2.gz HWKWMVSBUKKZJA-UHFFFAOYSA-N 0 1 279.296 0.719 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H]2CO)c1[N+](=O)[O-] ZINC000276000128 193184930 /nfs/dbraw/zinc/18/49/30/193184930.db2.gz OFNCYRBEMJZCRD-SVRRBLITSA-N 0 1 268.273 0.469 20 5 CCBDMN Cc1[nH]nc(C(=O)N(CCO)C2CCC2)c1[N+](=O)[O-] ZINC000276059765 193201903 /nfs/dbraw/zinc/20/19/03/193201903.db2.gz SJRDXFPIIMCRPU-UHFFFAOYSA-N 0 1 268.273 0.613 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000330786823 203235824 /nfs/dbraw/zinc/23/58/24/203235824.db2.gz WDRXIKCGAKATLR-YUMQZZPRSA-N 0 1 268.273 0.863 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CC(C(N)=O)=NO1 ZINC000276482372 193350120 /nfs/dbraw/zinc/35/01/20/193350120.db2.gz OMUIHEKKQIKDLF-LLVKDONJSA-N 0 1 292.295 0.623 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1nnc[nH]1 ZINC000288902450 197189135 /nfs/dbraw/zinc/18/91/35/197189135.db2.gz NYMHMUKUPBETRQ-UHFFFAOYSA-N 0 1 265.277 0.874 20 5 CCBDMN NCc1nnnn1CCOc1ccccc1[N+](=O)[O-] ZINC000520806533 285272749 /nfs/dbraw/zinc/27/27/49/285272749.db2.gz VIBKCBUHOZHJMD-UHFFFAOYSA-N 0 1 264.245 0.119 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CC[C@H](n3cccn3)C2)c1 ZINC000291820905 388939070 /nfs/dbraw/zinc/93/90/70/388939070.db2.gz NVYLZOQZXQZPOM-NSHDSACASA-N 0 1 276.300 0.935 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)N1 ZINC000070075776 388953462 /nfs/dbraw/zinc/95/34/62/388953462.db2.gz CZLFRGCOPNSVDG-HTQZYQBOSA-N 0 1 252.274 0.745 20 5 CCBDMN CC(C)(O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000070938056 388956800 /nfs/dbraw/zinc/95/68/00/388956800.db2.gz PTMNEDKFXLFMFS-UHFFFAOYSA-N 0 1 280.328 0.883 20 5 CCBDMN C[C@@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(=O)O1 ZINC000298550656 389029608 /nfs/dbraw/zinc/02/96/08/389029608.db2.gz XTKAIWAICHIJEH-LDWIPMOCSA-N 0 1 280.236 0.734 20 5 CCBDMN COc1ccc(CC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000108243530 389097980 /nfs/dbraw/zinc/09/79/80/389097980.db2.gz ZTUBNFYEKBAWCS-UHFFFAOYSA-N 0 1 279.296 0.578 20 5 CCBDMN [NH3+][C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000194733950 389102333 /nfs/dbraw/zinc/10/23/33/389102333.db2.gz QOKMSLCZKSRTQZ-SSDOTTSWSA-N 0 1 291.354 0.672 20 5 CCBDMN COC(=O)[C@H]1COCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339041546 389122175 /nfs/dbraw/zinc/12/21/75/389122175.db2.gz YJNJANLTTYMWCK-GFCCVEGCSA-N 0 1 296.279 0.674 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000339888912 389140689 /nfs/dbraw/zinc/14/06/89/389140689.db2.gz CUCJBWZTBOQYJI-ZETCQYMHSA-N 0 1 295.299 0.531 20 5 CCBDMN Cc1n[nH]c(C(=O)N(C)Cc2nccn2C)c1[N+](=O)[O-] ZINC000264229782 389313884 /nfs/dbraw/zinc/31/38/84/389313884.db2.gz CAXGAJSDGNLYBK-UHFFFAOYSA-N 0 1 278.272 0.632 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408375745 389343743 /nfs/dbraw/zinc/34/37/43/389343743.db2.gz LGTWCNCUAMRFJO-SVRRBLITSA-N 0 1 268.273 0.469 20 5 CCBDMN COCCN1CC[C@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000264565845 389337056 /nfs/dbraw/zinc/33/70/56/389337056.db2.gz RNDMNBBHLSNVPD-VIFPVBQESA-N 0 1 297.315 0.077 20 5 CCBDMN COCC[N@@H+]1CC[C@H](NC(=O)c2[n-]nc(C)c2[N+](=O)[O-])C1 ZINC000264565845 389337057 /nfs/dbraw/zinc/33/70/57/389337057.db2.gz RNDMNBBHLSNVPD-VIFPVBQESA-N 0 1 297.315 0.077 20 5 CCBDMN COCC[N@H+]1CC[C@H](NC(=O)c2[n-]nc(C)c2[N+](=O)[O-])C1 ZINC000264565845 389337060 /nfs/dbraw/zinc/33/70/60/389337060.db2.gz RNDMNBBHLSNVPD-VIFPVBQESA-N 0 1 297.315 0.077 20 5 CCBDMN O=C(NC[C@@H]1CCCS1)c1n[nH]cc1[N+](=O)[O-] ZINC000153799887 389308575 /nfs/dbraw/zinc/30/85/75/389308575.db2.gz HFTUDAUXRSQIAH-LURJTMIESA-N 0 1 256.287 0.943 20 5 CCBDMN CCc1nnc(NC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000159600203 389369895 /nfs/dbraw/zinc/36/98/95/389369895.db2.gz ZHKJEVPOEOYYBA-UHFFFAOYSA-N 0 1 268.258 0.984 20 5 CCBDMN CN1CC[C@@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000373277491 389469451 /nfs/dbraw/zinc/46/94/51/389469451.db2.gz YNLHWRCDNGFWQQ-LLVKDONJSA-N 0 1 293.327 0.659 20 5 CCBDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000349904781 389456197 /nfs/dbraw/zinc/45/61/97/389456197.db2.gz KGNJBVUUOPOWGV-VHSXEESVSA-N 0 1 293.327 0.968 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOC[C@@]23CCOC3)c1[N+](=O)[O-] ZINC000282050214 389650865 /nfs/dbraw/zinc/65/08/65/389650865.db2.gz CCZMFJXKCCWTLA-LBPRGKRZSA-N 0 1 296.283 0.258 20 5 CCBDMN O=[N+]([O-])c1cccc(F)c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405211350 389813558 /nfs/dbraw/zinc/81/35/58/389813558.db2.gz IEXXOASZNKBHMO-VHSXEESVSA-N 0 1 281.287 0.989 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C(C)(C)C(=O)OC)c1[N+](=O)[O-] ZINC000444087771 389890021 /nfs/dbraw/zinc/89/00/21/389890021.db2.gz LLCHGGMPFROJOG-UHFFFAOYSA-N 0 1 298.299 0.904 20 5 CCBDMN O=C(NC[C@@H]1CCCC(=O)N1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000447761387 389964778 /nfs/dbraw/zinc/96/47/78/389964778.db2.gz VGNDOUUETIDEPZ-VIFPVBQESA-N 0 1 293.279 0.699 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CS3)c1[N+](=O)[O-] ZINC000458321087 390055769 /nfs/dbraw/zinc/05/57/69/390055769.db2.gz MZYTUUQWODCBMN-BQBZGAKWSA-N 0 1 268.298 0.956 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000520766137 390589497 /nfs/dbraw/zinc/58/94/97/390589497.db2.gz LIHVGEPPZPDHFL-VIFPVBQESA-N 0 1 278.312 0.900 20 5 CCBDMN NC(=O)N1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356205140 143981795 /nfs/dbraw/zinc/98/17/95/143981795.db2.gz OSIYSRQGQVTFDR-QMMMGPOBSA-N 0 1 294.267 0.183 20 5 CCBDMN CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1C ZINC000356704711 144026006 /nfs/dbraw/zinc/02/60/06/144026006.db2.gz BPGBUJXHTOXWCN-ZJUUUORDSA-N 0 1 295.343 0.883 20 5 CCBDMN O=C(NC1(c2nn[nH]n2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357064197 144055528 /nfs/dbraw/zinc/05/55/28/144055528.db2.gz AQRXYFNRJHEECQ-UHFFFAOYSA-N 0 1 292.230 0.666 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]nnc3c2)n1 ZINC000357934288 144135219 /nfs/dbraw/zinc/13/52/19/144135219.db2.gz KZUZIVNFODPPJZ-UHFFFAOYSA-N 0 1 287.239 0.852 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](O)C3(CC3)C2)c1[N+](=O)[O-] ZINC000372361587 144364693 /nfs/dbraw/zinc/36/46/93/144364693.db2.gz ZPDIQSLPZGGQHA-SECBINFHSA-N 0 1 294.311 0.867 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000372898265 144384762 /nfs/dbraw/zinc/38/47/62/144384762.db2.gz UMGQJWYXAFZWSQ-AOOOYVTPSA-N 0 1 279.300 0.144 20 5 CCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1nn[nH]n1 ZINC000044929306 411633318 /nfs/dbraw/zinc/63/33/18/411633318.db2.gz VWQFJNQKMPUUPG-UHFFFAOYSA-N 0 1 262.229 0.346 20 5 CCBDMN CN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 ZINC000284776924 196130418 /nfs/dbraw/zinc/13/04/18/196130418.db2.gz ANJJWSIWESGNKT-VHSXEESVSA-N 0 1 295.295 0.733 20 5 CCBDMN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CNCCO1 ZINC000043707866 175101170 /nfs/dbraw/zinc/10/11/70/175101170.db2.gz QGSXNMWIWDZXKQ-SNVBAGLBSA-N 0 1 251.242 0.522 20 5 CCBDMN COC(=O)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])CC(C)C ZINC000179438828 260049356 /nfs/dbraw/zinc/04/93/56/260049356.db2.gz DZJAKJKKJMQVFT-MRVPVSSYSA-N 0 1 298.299 0.883 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCn2nncc2C1 ZINC000576412804 335201154 /nfs/dbraw/zinc/20/11/54/335201154.db2.gz RINHWZPRPIUTOR-UHFFFAOYSA-N 0 1 289.251 0.548 20 5 CCBDMN C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000577512841 335362945 /nfs/dbraw/zinc/36/29/45/335362945.db2.gz ZCZLUSZNLJSNFC-OIBJUYFYSA-N 0 1 280.284 0.423 20 5 CCBDMN C[C@@H]1[C@@H](CO)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000386209494 336167946 /nfs/dbraw/zinc/16/79/46/336167946.db2.gz DDNDRKLSWSZLQU-BXKDBHETSA-N 0 1 293.323 0.896 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](O)C[C@@H]2CO)c1[N+](=O)[O-] ZINC000347733441 535320874 /nfs/dbraw/zinc/32/08/74/535320874.db2.gz OILZDQCOZPYJQJ-SFYZADRCSA-N 0 1 298.299 0.009 20 5 CCBDMN CC(C)(C(=O)OCCc1c[nH]nn1)n1cc([N+](=O)[O-])cn1 ZINC000734384686 581562144 /nfs/dbraw/zinc/56/21/44/581562144.db2.gz LRNHZHHOCQSMIS-UHFFFAOYSA-N 0 1 294.271 0.430 20 5 CCBDMN CC(C)(C(=O)OCCc1cnn[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000734384686 581562146 /nfs/dbraw/zinc/56/21/46/581562146.db2.gz LRNHZHHOCQSMIS-UHFFFAOYSA-N 0 1 294.271 0.430 20 5 CCBDMN CCOC(=O)[C@H](COC)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000766317528 581562698 /nfs/dbraw/zinc/56/26/98/581562698.db2.gz JKORWHRGAFKBPP-QMMMGPOBSA-N 0 1 286.240 0.658 20 5 CCBDMN O=C(COc1cccc([N+](=O)[O-])c1)OCCc1c[nH]nn1 ZINC000735127341 581624766 /nfs/dbraw/zinc/62/47/66/581624766.db2.gz AGMUJAHQTQARSD-UHFFFAOYSA-N 0 1 292.251 0.878 20 5 CCBDMN O=C(COc1cccc([N+](=O)[O-])c1)OCCc1cnn[nH]1 ZINC000735127341 581624769 /nfs/dbraw/zinc/62/47/69/581624769.db2.gz AGMUJAHQTQARSD-UHFFFAOYSA-N 0 1 292.251 0.878 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@H]2CCO)c1[N+](=O)[O-] ZINC000768121179 581645269 /nfs/dbraw/zinc/64/52/69/581645269.db2.gz OABWCTNNCHNKJG-MRVPVSSYSA-N 0 1 298.299 0.104 20 5 CCBDMN NC(=O)C1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCC1 ZINC000772987733 581904235 /nfs/dbraw/zinc/90/42/35/581904235.db2.gz ISBPHALDZUTLJV-UHFFFAOYSA-N 0 1 293.279 0.828 20 5 CCBDMN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000763882959 582019010 /nfs/dbraw/zinc/01/90/10/582019010.db2.gz XXASJBHMRTXHMW-KBPBESRZSA-N 0 1 296.323 0.711 20 5 CCBDMN C[C@H](C(=O)[O-])[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000819888353 597466485 /nfs/dbraw/zinc/46/64/85/597466485.db2.gz BJCWOWFFQMJINZ-MRVPVSSYSA-N 0 1 269.257 0.161 20 5 CCBDMN Cc1c(C[N@@H+]2C[C@H](O)C[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000253104596 600138808 /nfs/dbraw/zinc/13/88/08/600138808.db2.gz ZKUODDWJHXNBTP-PWSUYJOCSA-N 0 1 280.280 0.923 20 5 CCBDMN Cc1c(C[N@H+]2C[C@H](O)C[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000253104596 600138810 /nfs/dbraw/zinc/13/88/10/600138810.db2.gz ZKUODDWJHXNBTP-PWSUYJOCSA-N 0 1 280.280 0.923 20 5 CCBDMN C[C@@H](C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000042706499 600372121 /nfs/dbraw/zinc/37/21/21/600372121.db2.gz KBSSHWNICKCHPT-QMMMGPOBSA-N 0 1 295.295 0.846 20 5 CCBDMN O=C([O-])CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000819463378 601012095 /nfs/dbraw/zinc/01/20/95/601012095.db2.gz YONVRZZLASHRTG-VIFPVBQESA-N 0 1 280.284 0.951 20 5 CCBDMN C[C@]1(C(=O)[O-])CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000828035497 601891946 /nfs/dbraw/zinc/89/19/46/601891946.db2.gz QOGHCDYFXKEVKI-JTQLQIEISA-N 0 1 254.246 0.545 20 5 CCBDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000828035497 601891950 /nfs/dbraw/zinc/89/19/50/601891950.db2.gz QOGHCDYFXKEVKI-JTQLQIEISA-N 0 1 254.246 0.545 20 5 CCBDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000833834323 605888391 /nfs/dbraw/zinc/88/83/91/605888391.db2.gz NHNZPAWZSCTPPF-NXEZZACHSA-N 0 1 297.315 0.769 20 5 CCBDMN CC(C)OC(=O)[C@@H](C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839692852 613994949 /nfs/dbraw/zinc/99/49/49/613994949.db2.gz XYRBKPBASRKVRT-DJLDLDEBSA-N 0 1 258.274 0.356 20 5 CCBDMN CC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000863814221 613751143 /nfs/dbraw/zinc/75/11/43/613751143.db2.gz VVYJJUFOPVJXEC-HBNTYKKESA-N 0 1 269.301 0.169 20 5 CCBDMN CC(C)(C)OC(=O)N1CC[C@H]1CNCC[N+](=O)[O-] ZINC000905592243 613980472 /nfs/dbraw/zinc/98/04/72/613980472.db2.gz MRHUJSMEHLITFG-VIFPVBQESA-N 0 1 259.306 0.862 20 5 CCBDMN CC(C)CNC(=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000884925326 614134991 /nfs/dbraw/zinc/13/49/91/614134991.db2.gz WKMFVQONHTZXIK-VXGBXAGGSA-N 0 1 297.355 0.662 20 5 CCBDMN CC(C)(O)[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000832447238 614221711 /nfs/dbraw/zinc/22/17/11/614221711.db2.gz KCKZYKBOXRESCQ-IVZWLZJFSA-N 0 1 256.302 0.661 20 5 CCBDMN CC(=O)O[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839711593 614228334 /nfs/dbraw/zinc/22/83/34/614228334.db2.gz XNSDIZZHFYWWLX-IVZWLZJFSA-N 0 1 256.258 0.206 20 5 CCBDMN CCC[C@]1(C)C(=O)NCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840430089 614453046 /nfs/dbraw/zinc/45/30/46/614453046.db2.gz KIJKNTJHZNLXPP-KBVBSXBZSA-N 0 1 269.301 0.169 20 5 CCBDMN CCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000944801530 614526710 /nfs/dbraw/zinc/52/67/10/614526710.db2.gz QJIQEXDLMWTIFH-GHMZBOCLSA-N 0 1 295.339 0.513 20 5 CCBDMN CCN(CC(C)=O)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000820453371 614954986 /nfs/dbraw/zinc/95/49/86/614954986.db2.gz FRHMRBWZRKOANN-UHFFFAOYSA-N 0 1 254.246 0.677 20 5 CCBDMN CCC[C@@H](C)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673419 614980951 /nfs/dbraw/zinc/98/09/51/614980951.db2.gz YNKPHUYAQACQNT-ZYUZMQFOSA-N 0 1 272.301 0.888 20 5 CCBDMN CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000840395487 615182910 /nfs/dbraw/zinc/18/29/10/615182910.db2.gz LPQANAJZQBYTPE-PSASIEDQSA-N 0 1 279.252 0.862 20 5 CCBDMN CCOCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839710006 615237484 /nfs/dbraw/zinc/23/74/84/615237484.db2.gz KXPCOGDGRBSMPS-NXEZZACHSA-N 0 1 256.302 0.975 20 5 CCBDMN CCN1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000882488967 615325082 /nfs/dbraw/zinc/32/50/82/615325082.db2.gz KDOFRTQXIYWBAP-VIFPVBQESA-N 0 1 264.285 0.814 20 5 CCBDMN CC[C@@H](C)NC(=O)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839555221 615458431 /nfs/dbraw/zinc/45/84/31/615458431.db2.gz LZYHKUYIAJWVHZ-IWSPIJDZSA-N 0 1 257.290 0.073 20 5 CCBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000839762730 615560169 /nfs/dbraw/zinc/56/01/69/615560169.db2.gz UVZHOWVLWDKMHK-IBJJFRMHSA-N 0 1 274.342 0.410 20 5 CCBDMN CCc1nc(COC(=O)c2ccnc(N)c2[N+](=O)[O-])n[nH]1 ZINC000848787059 615749295 /nfs/dbraw/zinc/74/92/95/615749295.db2.gz MRMBCPUYIYILQC-UHFFFAOYSA-N 0 1 292.255 0.610 20 5 CCBDMN CCc1nn(C)c(CC)c1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839712259 615792626 /nfs/dbraw/zinc/79/26/26/615792626.db2.gz GHDAMHZZKJJEGM-PRHODGIISA-N 0 1 280.328 0.826 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)/C=C\C2CC2)C1 ZINC000954240017 615867519 /nfs/dbraw/zinc/86/75/19/615867519.db2.gz KEZHRXXXEINHKG-XLMCQVRKSA-N 0 1 293.323 0.287 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@H]2C)n1 ZINC000928444473 616014708 /nfs/dbraw/zinc/01/47/08/616014708.db2.gz SXKSGYNXKJSSBG-DTWKUNHWSA-N 0 1 281.316 0.634 20 5 CCBDMN CN1CC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000928574306 616288131 /nfs/dbraw/zinc/28/81/31/616288131.db2.gz UHNLWKGWJCMDIE-SNVBAGLBSA-N 0 1 279.296 0.794 20 5 CCBDMN COC(=O)[C@@H]1CCC[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842343427 616296521 /nfs/dbraw/zinc/29/65/21/616296521.db2.gz NECXODHTPFBZSJ-UTINFBMNSA-N 0 1 271.269 0.927 20 5 CCBDMN COC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000894822904 616709756 /nfs/dbraw/zinc/70/97/56/616709756.db2.gz WNYGTGRXYIIGNK-ZRUFSTJUSA-N 0 1 272.301 0.209 20 5 CCBDMN COCC1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000905970415 616823820 /nfs/dbraw/zinc/82/38/20/616823820.db2.gz HSHLZYXNSAEEHG-ZDUSSCGKSA-N 0 1 296.323 0.913 20 5 CCBDMN COC(=O)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000839683420 616902306 /nfs/dbraw/zinc/90/23/06/616902306.db2.gz OGIOGTNSZRQQPH-HTQZYQBOSA-N 0 1 268.225 0.348 20 5 CCBDMN COC[C@@H]1C[C@@H](O)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844392511 616990947 /nfs/dbraw/zinc/99/09/47/616990947.db2.gz KALAEILGSUQFEK-BFHYXJOUSA-N 0 1 296.323 0.710 20 5 CCBDMN CON(C)C(=O)CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000808743996 617010449 /nfs/dbraw/zinc/01/04/49/617010449.db2.gz DWGSHOSNKKYPNQ-UHFFFAOYSA-N 0 1 294.311 0.758 20 5 CCBDMN CON(C)C(=O)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819372399 617038696 /nfs/dbraw/zinc/03/86/96/617038696.db2.gz BEIRCUIVRQOLBH-NSHDSACASA-N 0 1 283.284 0.238 20 5 CCBDMN CON(C)C(=O)[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000863706948 617051868 /nfs/dbraw/zinc/05/18/68/617051868.db2.gz QLYICCDZUJOFDL-SSDOTTSWSA-N 0 1 297.267 0.439 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1CC1CCOCC1 ZINC000890806153 624643219 /nfs/dbraw/zinc/64/32/19/624643219.db2.gz LXVTXCWLBVREGL-JHJVBQTASA-N 0 1 298.339 0.696 20 5 CCBDMN CC(=O)N[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001021747710 624818511 /nfs/dbraw/zinc/81/85/11/624818511.db2.gz ZVVGZJMHCOJLSH-DTORHVGOSA-N 0 1 267.289 0.085 20 5 CCBDMN O=c1[nH]c2ccccc2n1CCNCC[N+](=O)[O-] ZINC000905153757 634803000 /nfs/dbraw/zinc/80/30/00/634803000.db2.gz LUUOWKWRJLSFAB-UHFFFAOYSA-N 0 1 250.258 0.608 20 5 CCBDMN O=C(OCc1nnc2ccccc2n1)[C@@H]1CC1[N+](=O)[O-] ZINC000841217368 631824133 /nfs/dbraw/zinc/82/41/33/631824133.db2.gz XQNDYBUKPZOANY-GMSGAONNSA-N 0 1 274.236 0.733 20 5 CCBDMN Cn1cc(CC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000899005544 633707578 /nfs/dbraw/zinc/70/75/78/633707578.db2.gz TWCSXPZMCQNSMQ-GHMZBOCLSA-N 0 1 264.285 0.086 20 5 CCBDMN O=C(Nc1nn[nH]n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013953334 650312626 /nfs/dbraw/zinc/31/26/26/650312626.db2.gz DEPCFSCXTQQFJE-UHFFFAOYSA-N 0 1 279.172 0.268 20 5 CCBDMN Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839517749 640316754 /nfs/dbraw/zinc/31/67/54/640316754.db2.gz VPVKOFHUAIUIFF-POZPLHJXSA-N 0 1 264.285 0.579 20 5 CCBDMN O=C(NC[C@H](O)COc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839525363 640317358 /nfs/dbraw/zinc/31/73/58/640317358.db2.gz SQUIRSSQODUQTO-MVWJERBFSA-N 0 1 280.280 0.208 20 5 CCBDMN O=C(NC[C@@H](O)COc1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839574756 640343372 /nfs/dbraw/zinc/34/33/72/640343372.db2.gz NSLGCHPLZAGXQH-YUSALJHKSA-N 0 1 298.270 0.347 20 5 CCBDMN O=C(NCc1ccc(CO)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839573442 640343554 /nfs/dbraw/zinc/34/35/54/640343554.db2.gz XWUDYQQKPXQJDI-MWLCHTKSSA-N 0 1 268.244 0.599 20 5 CCBDMN Cn1cc(N2CCC[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000839692960 640350004 /nfs/dbraw/zinc/35/00/04/640350004.db2.gz WLFIBHMPRPTBDF-YUSALJHKSA-N 0 1 293.327 0.170 20 5 CCBDMN O=C(NCCOc1ncccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000839707730 640356153 /nfs/dbraw/zinc/35/61/53/640356153.db2.gz FINLVYZKVVBAOR-VXNVDRBHSA-N 0 1 269.232 0.381 20 5 CCBDMN O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839725541 640358141 /nfs/dbraw/zinc/35/81/41/640358141.db2.gz SHHALZXBHLYWAZ-IJLUTSLNSA-N 0 1 264.281 0.371 20 5 CCBDMN O=C(N[C@@H](CO)C[C@H](O)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839725522 640358203 /nfs/dbraw/zinc/35/82/03/640358203.db2.gz SAZCMNGTAIMLQO-LPWJVIDDSA-N 0 1 294.307 0.252 20 5 CCBDMN O=C(NCc1ccnc(OC(F)F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839762355 640359551 /nfs/dbraw/zinc/35/95/51/640359551.db2.gz VNIPFCZTNNCUQK-HTQZYQBOSA-N 0 1 287.222 0.964 20 5 CCBDMN C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000839747624 640361272 /nfs/dbraw/zinc/36/12/72/640361272.db2.gz CUDZXPYOQJDXOD-DJLDLDEBSA-N 0 1 287.316 0.681 20 5 CCBDMN O=C(NC[C@H]1COc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839778995 640364288 /nfs/dbraw/zinc/36/42/88/640364288.db2.gz YSXYTKBZBRLCKS-JMJZKYOTSA-N 0 1 262.265 0.944 20 5 CCBDMN C[C@H](c1ccccc1)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(N)=O ZINC000839777597 640364908 /nfs/dbraw/zinc/36/49/08/640364908.db2.gz TZGFQQHADUGFSI-HKWIRBFKSA-N 0 1 291.307 0.425 20 5 CCBDMN Cn1ccnc1[C@H]1N(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1(C)C ZINC000839781463 640364939 /nfs/dbraw/zinc/36/49/39/640364939.db2.gz PWPAANYVWQSNPB-OPRDCNLKSA-N 0 1 278.312 0.995 20 5 CCBDMN Cn1cnnc1CCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000810685974 640945004 /nfs/dbraw/zinc/94/50/04/640945004.db2.gz GGNSHFYOAFOFOD-UHFFFAOYSA-N 0 1 265.229 0.451 20 5 CCBDMN C[C@@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000828473615 642097895 /nfs/dbraw/zinc/09/78/95/642097895.db2.gz YRDXBHOJMUWZHK-HTQZYQBOSA-N 0 1 254.246 0.401 20 5 CCBDMN C[C@@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000828473615 642097900 /nfs/dbraw/zinc/09/79/00/642097900.db2.gz YRDXBHOJMUWZHK-HTQZYQBOSA-N 0 1 254.246 0.401 20 5 CCBDMN C[C@@H]1[C@H](C)N(C(=O)[O-])CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000833830653 642542304 /nfs/dbraw/zinc/54/23/04/642542304.db2.gz WETKQEYRZVOXDX-ZJUUUORDSA-N 0 1 297.315 0.864 20 5 CCBDMN C[C@@H]1[C@H](C)N(C(=O)[O-])CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000833830653 642542310 /nfs/dbraw/zinc/54/23/10/642542310.db2.gz WETKQEYRZVOXDX-ZJUUUORDSA-N 0 1 297.315 0.864 20 5 CCBDMN [NH3+][C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000842799894 642955780 /nfs/dbraw/zinc/95/57/80/642955780.db2.gz OLYDIGPHSUSIDL-LJGSYFOKSA-N 0 1 289.288 0.502 20 5 CCBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000844434496 643216108 /nfs/dbraw/zinc/21/61/08/643216108.db2.gz UNZYBGUKPSNDLY-CCKXHYTFSA-N 0 1 296.348 0.833 20 5 CCBDMN O=C(N[C@@H]1COC(=O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000854557997 644226333 /nfs/dbraw/zinc/22/63/33/644226333.db2.gz RBKBOUHPNWGBEI-ZETCQYMHSA-N 0 1 266.209 0.346 20 5 CCBDMN C[C@H](O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000856432158 644418588 /nfs/dbraw/zinc/41/85/88/644418588.db2.gz WZBBQDLZKTZGGB-JTLRNRKASA-N 0 1 264.281 0.890 20 5 CCBDMN Cc1conc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139505 651043555 /nfs/dbraw/zinc/04/35/55/651043555.db2.gz BOFNJVLEYSEPSD-DNRKLUKYSA-N 0 1 294.311 0.385 20 5 CCBDMN Cn1cc(C[N@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])n1 ZINC000877555640 646823135 /nfs/dbraw/zinc/82/31/35/646823135.db2.gz YHALBJZDCMTISA-JTQLQIEISA-N 0 1 268.317 0.923 20 5 CCBDMN Cn1cc(CN2CCC[C@H](CO)CC2)c([N+](=O)[O-])n1 ZINC000877555640 646823138 /nfs/dbraw/zinc/82/31/38/646823138.db2.gz YHALBJZDCMTISA-JTQLQIEISA-N 0 1 268.317 0.923 20 5 CCBDMN C[C@@H]1CC[C@H](CO)N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000880434681 647199442 /nfs/dbraw/zinc/19/94/42/647199442.db2.gz GHJSBBPFGVVPGH-PSASIEDQSA-N 0 1 254.290 0.674 20 5 CCBDMN C[C@H](O)CN1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885984140 647889543 /nfs/dbraw/zinc/88/95/43/647889543.db2.gz YEYQMPWVLVWWTR-NSHDSACASA-N 0 1 280.328 0.488 20 5 CCBDMN C[C@@H]1CN(CCO)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886238940 647927055 /nfs/dbraw/zinc/92/70/55/647927055.db2.gz MEACVSVBUXQOBK-LLVKDONJSA-N 0 1 280.328 0.488 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCCn2nncc2C1 ZINC000886468893 647978959 /nfs/dbraw/zinc/97/89/59/647978959.db2.gz VDVZZMILKZUYKQ-UHFFFAOYSA-N 0 1 291.315 0.597 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOc2ccccc2[C@@H]1CO ZINC000887116514 648070864 /nfs/dbraw/zinc/07/08/64/648070864.db2.gz AJJPUGVBHNFYBY-UTUOFQBUSA-N 0 1 292.291 0.606 20 5 CCBDMN Cc1nc(CC2CCN(CC[N+](=O)[O-])CC2)no1 ZINC000932239051 649057717 /nfs/dbraw/zinc/05/77/17/649057717.db2.gz YYRBDBGGHGUFCS-UHFFFAOYSA-N 0 1 254.290 0.909 20 5 CCBDMN C[C@](CO)(Cc1ccccc1F)NCC[N+](=O)[O-] ZINC000933427238 649121424 /nfs/dbraw/zinc/12/14/24/649121424.db2.gz FBIFKCVKODJXRO-GFCCVEGCSA-N 0 1 256.277 0.986 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000935091269 649209643 /nfs/dbraw/zinc/20/96/43/649209643.db2.gz WGEALBIBBJUGTJ-UWVGGRQHSA-N 0 1 295.343 0.651 20 5 CCBDMN CN1CCO[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC001164670286 719379260 /nfs/dbraw/zinc/37/92/60/719379260.db2.gz UDKNHRDSTJZCBL-MNOVXSKESA-N 0 1 282.275 0.648 20 5 CCBDMN O=C(NCCCOC[C@@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839472383 800026195 /nfs/dbraw/zinc/02/61/95/800026195.db2.gz UNIBAOOMJHBVMC-HBNTYKKESA-N 0 1 272.301 0.354 20 5 CCBDMN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cn1)c1c[nH]nn1 ZINC001142026315 800059197 /nfs/dbraw/zinc/05/91/97/800059197.db2.gz NFGBXKIIZPETRQ-UHFFFAOYSA-N 0 1 276.256 0.773 20 5 CCBDMN CN(C1CN(c2cc([N+](=O)[O-])ccn2)C1)[C@H]1CCOC1 ZINC001158725226 801694638 /nfs/dbraw/zinc/69/46/38/801694638.db2.gz GTAQQCQUNPFLBZ-NSHDSACASA-N 0 1 278.312 0.899 20 5 CCBDMN Cc1ncc([N+](=O)[O-])c(NC[C@@H]2COCCN2)n1 ZINC001159042090 801746399 /nfs/dbraw/zinc/74/63/99/801746399.db2.gz CABRCRXJFZOBHN-MRVPVSSYSA-N 0 1 253.262 0.094 20 5 CCBDMN CC[C@@](N)(CO)Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001159744820 801859699 /nfs/dbraw/zinc/85/96/99/801859699.db2.gz WQGDRUAHYUBAQM-NSHDSACASA-N 0 1 265.273 0.940 20 5 CCBDMN C[N@@H+]1CCO[C@H](CNc2ncnc3[n-]cc([N+](=O)[O-])c32)C1 ZINC001162682973 802391859 /nfs/dbraw/zinc/39/18/59/802391859.db2.gz MBRSCZOPRPNHFP-MRVPVSSYSA-N 0 1 292.299 0.560 20 5 CCBDMN C[N@H+]1CCO[C@H](CNc2ncnc3[n-]cc([N+](=O)[O-])c32)C1 ZINC001162682973 802391867 /nfs/dbraw/zinc/39/18/67/802391867.db2.gz MBRSCZOPRPNHFP-MRVPVSSYSA-N 0 1 292.299 0.560 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccccc2)n1 ZINC001207952917 803470405 /nfs/dbraw/zinc/47/04/05/803470405.db2.gz GYYZGPZOGSPHCA-UHFFFAOYSA-N 0 1 296.308 0.807 20 5 CCBDMN O=c1ccnc(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)[nH]1 ZINC001226326299 805218645 /nfs/dbraw/zinc/21/86/45/805218645.db2.gz JNPHOXDCYNZOEF-LURJTMIESA-N 0 1 279.212 0.127 20 5 CCBDMN CC[C@H](O)C(=O)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227096967 805323347 /nfs/dbraw/zinc/32/33/47/805323347.db2.gz VXHAUKGIVMBCCA-VIFPVBQESA-N 0 1 293.235 0.920 20 5 CCBDMN O=c1[nH]c(C2CC2)nc(OC[C@@H]2COCO2)c1[N+](=O)[O-] ZINC001228602485 805458037 /nfs/dbraw/zinc/45/80/37/805458037.db2.gz CFBVROWEHOFQPB-ZETCQYMHSA-N 0 1 283.240 0.720 20 5 CCBDMN COC(=O)c1cnc(O[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001233858888 816425012 /nfs/dbraw/zinc/42/50/12/816425012.db2.gz GQKWVOPJSYDZHK-SECBINFHSA-N 0 1 281.268 0.859 20 5 CCBDMN Cc1ncc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001031663091 817227790 /nfs/dbraw/zinc/22/77/90/817227790.db2.gz SIASCTKDPMRCPX-VXGBXAGGSA-N 0 1 294.311 0.196 20 5 CCBDMN Cc1cc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001031661908 817228088 /nfs/dbraw/zinc/22/80/88/817228088.db2.gz MUMJSJKBLSCNCS-VXGBXAGGSA-N 0 1 294.311 0.196 20 5 CCBDMN CCOc1cc(-n2nnnc2CN)ccc1[N+](=O)[O-] ZINC001168923447 836057826 /nfs/dbraw/zinc/05/78/26/836057826.db2.gz KDRMQZSWUYRMTO-UHFFFAOYSA-N 0 1 264.245 0.428 20 5 CCBDMN COC(=O)C1(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN(C)CC1 ZINC001168984317 836080212 /nfs/dbraw/zinc/08/02/12/836080212.db2.gz LYHXXLCKGMAGAG-NWDGAFQWSA-N 0 1 299.371 0.659 20 5 CCBDMN COc1nc(NC[C@@H]2COCCN2)nc(C)c1[N+](=O)[O-] ZINC001170036232 836755521 /nfs/dbraw/zinc/75/55/21/836755521.db2.gz WDDLRGYJLXQTSY-MRVPVSSYSA-N 0 1 283.288 0.102 20 5 CCBDMN COc1nc(C)c(NC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC001170042968 836774140 /nfs/dbraw/zinc/77/41/40/836774140.db2.gz CPUZIUIAGNADHP-VIFPVBQESA-N 0 1 282.300 0.707 20 5 CCBDMN COc1nc(C)c(NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC001170042965 836774191 /nfs/dbraw/zinc/77/41/91/836774191.db2.gz CPUZIUIAGNADHP-SECBINFHSA-N 0 1 282.300 0.707 20 5 CCBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)c2nn[nH]n2)n1 ZINC001131172576 838011831 /nfs/dbraw/zinc/01/18/31/838011831.db2.gz NQDYBMSTZRPNSY-UHFFFAOYSA-N 0 1 263.217 0.088 20 5 CCBDMN CC[C@@](N)(CO)Nc1cc([N+](=O)[O-])c(OC)cn1 ZINC001170856425 839435481 /nfs/dbraw/zinc/43/54/81/839435481.db2.gz BIMIQLGEUQJEQC-JTQLQIEISA-N 0 1 256.262 0.468 20 5 CCBDMN CC[C@](N)(CO)Nc1nc([N+](=O)[O-])ccc1OC ZINC001170864838 839458683 /nfs/dbraw/zinc/45/86/83/839458683.db2.gz JEZGBXQWNCHGRQ-SNVBAGLBSA-N 0 1 256.262 0.468 20 5 CCBDMN O=[N+]([O-])c1cc(CO)c(NCc2c[nH]nn2)cc1F ZINC001185582093 844439423 /nfs/dbraw/zinc/43/94/23/844439423.db2.gz BOQCJWQZEYXSFW-UHFFFAOYSA-N 0 1 267.220 0.956 20 5 CCBDMN N[C@H](CCC[NH3+])Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001170903430 839554126 /nfs/dbraw/zinc/55/41/26/839554126.db2.gz JTEYLRGVXNGXOH-JTQLQIEISA-N 0 1 268.273 0.729 20 5 CCBDMN O=C(NCCNc1cccc(F)c1[N+](=O)[O-])c1ncn[nH]1 ZINC001093793273 841458922 /nfs/dbraw/zinc/45/89/22/841458922.db2.gz KRGBRILPRYYPIL-UHFFFAOYSA-N 0 1 294.246 0.694 20 5 CCBDMN O=C(NCCNc1cccc(F)c1[N+](=O)[O-])c1nc[nH]n1 ZINC001093793273 841458928 /nfs/dbraw/zinc/45/89/28/841458928.db2.gz KRGBRILPRYYPIL-UHFFFAOYSA-N 0 1 294.246 0.694 20 5 CCBDMN O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1ncn[nH]1 ZINC001094533369 841660114 /nfs/dbraw/zinc/66/01/14/841660114.db2.gz RQWKRGBLKSTLPS-UHFFFAOYSA-N 0 1 290.283 0.945 20 5 CCBDMN O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1nc[nH]n1 ZINC001094533369 841660119 /nfs/dbraw/zinc/66/01/19/841660119.db2.gz RQWKRGBLKSTLPS-UHFFFAOYSA-N 0 1 290.283 0.945 20 5 CCBDMN C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1nnnn1C ZINC001176792967 842406824 /nfs/dbraw/zinc/40/68/24/842406824.db2.gz MDOJWPGRPQPDNT-SSDOTTSWSA-N 0 1 278.272 0.675 20 5 CCBDMN CCC[C@@H]1C[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001193431616 846079647 /nfs/dbraw/zinc/07/96/47/846079647.db2.gz AABUWBOOXWFFOU-HTQZYQBOSA-N 0 1 288.329 0.795 20 5 CCBDMN Cc1ccn(C)c(=O)c1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001137180916 848157835 /nfs/dbraw/zinc/15/78/35/848157835.db2.gz SIRVQNYBUADCTF-UHFFFAOYSA-N 0 1 277.240 0.577 20 5 CCBDMN C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C(=O)[O-] ZINC001118951558 856506654 /nfs/dbraw/zinc/50/66/54/856506654.db2.gz GQQWKNWCDXWAFU-GXSJLCMTSA-N 0 1 282.300 0.834 20 5 CCBDMN O=C(NCc1nccc(C(F)F)n1)c1n[nH]cc1[N+](=O)[O-] ZINC001323587833 912429778 /nfs/dbraw/zinc/42/97/78/912429778.db2.gz KZZQNMUWMHDBOH-UHFFFAOYSA-N 0 1 298.209 0.976 20 5 CCBDMN CCC(CC)C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285909033 894118959 /nfs/dbraw/zinc/11/89/59/894118959.db2.gz YNPXTLXRQYOQNZ-GHMZBOCLSA-N 0 1 297.355 0.853 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CCOC1 ZINC001327080593 914360762 /nfs/dbraw/zinc/36/07/62/914360762.db2.gz QDJFBITYVXKYOH-QMMMGPOBSA-N 0 1 287.297 0.305 20 5 CCBDMN CC(C)[C@@]1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001327352997 914494057 /nfs/dbraw/zinc/49/40/57/914494057.db2.gz IECGDTHDJMUEPI-FOGDFJRCSA-N 0 1 256.302 0.519 20 5 CCBDMN CC(C)CC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284951119 905506455 /nfs/dbraw/zinc/50/64/55/905506455.db2.gz ZNFHDRNGQKOWNE-GHMZBOCLSA-N 0 1 283.328 0.272 20 5 CCBDMN CC/C(C)=C\C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285923513 905814918 /nfs/dbraw/zinc/81/49/18/905814918.db2.gz IZQOYLPPPRBYMM-GOLMWGNGSA-N 0 1 295.339 0.773 20 5 CCBDMN CC(=O)N1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001286148073 905858230 /nfs/dbraw/zinc/85/82/30/905858230.db2.gz QNYURJBRQQRJTK-GHMZBOCLSA-N 0 1 283.328 0.416 20 5 CCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc[nH]1 ZINC001298033869 907145447 /nfs/dbraw/zinc/14/54/47/907145447.db2.gz MAULZVQZNMDSEU-MWLCHTKSSA-N 0 1 294.311 0.210 20 5 CCBDMN CCN(C)C(=O)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC001298203537 907175345 /nfs/dbraw/zinc/17/53/45/907175345.db2.gz LTZKYCKFKVHUIM-VIFPVBQESA-N 0 1 297.315 0.551 20 5 CCBDMN Cc1nocc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001298576128 907277519 /nfs/dbraw/zinc/27/75/19/907277519.db2.gz XFZSGNWOEQPXLZ-UHFFFAOYSA-N 0 1 251.202 0.544 20 5 CCBDMN Cc1cnc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001492250115 907800299 /nfs/dbraw/zinc/80/02/99/907800299.db2.gz PVIHEDWFERZUGQ-NXEZZACHSA-N 0 1 298.368 0.665 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2nc[nH]n2)c1[N+](=O)[O-] ZINC001301214042 907959986 /nfs/dbraw/zinc/95/99/86/907959986.db2.gz YFEQLYHZYSVROO-ZETCQYMHSA-N 0 1 291.271 0.722 20 5 CCBDMN NS(=O)(=O)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001308127604 908383882 /nfs/dbraw/zinc/38/38/82/908383882.db2.gz GAYRBFMTUWOTJF-LLVKDONJSA-N 0 1 299.352 0.705 20 5 CCBDMN O=C(NCCN(Cc1ccon1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001317552861 909323114 /nfs/dbraw/zinc/32/31/14/909323114.db2.gz MWJSWHKPPJVCQF-VXGBXAGGSA-N 0 1 294.311 0.420 20 5 CCBDMN CCc1[nH]nc(C(=O)OCc2nnc[nH]2)c1[N+](=O)[O-] ZINC001327966468 914897501 /nfs/dbraw/zinc/89/75/01/914897501.db2.gz ICBLGKUXHOFQHY-UHFFFAOYSA-N 0 1 266.217 0.355 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCn3ccnc32)c1 ZINC001327993790 914910739 /nfs/dbraw/zinc/91/07/39/914910739.db2.gz XOVSWXCWWBDLDV-WDEREUQCSA-N 0 1 292.299 0.083 20 5 CCBDMN Cc1nc(N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC001332520101 918245812 /nfs/dbraw/zinc/24/58/12/918245812.db2.gz OUEXYKOXXUTDLZ-SECBINFHSA-N 0 1 295.299 0.146 20 5 CCBDMN COC[C@@H]1CNCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001341641247 922596169 /nfs/dbraw/zinc/59/61/69/922596169.db2.gz WRORVZUVELDDEB-LBPRGKRZSA-N 0 1 297.286 0.794 20 5 CCBDMN Cn1ccnc1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001347329546 924423285 /nfs/dbraw/zinc/42/32/85/924423285.db2.gz SULYYYKFPOVQTM-UHFFFAOYSA-N 0 1 264.245 0.024 20 5 CCBDMN Cn1cc[nH+]c1CCNC(=O)c1[n-]ncc1[N+](=O)[O-] ZINC001347329546 924423290 /nfs/dbraw/zinc/42/32/90/924423290.db2.gz SULYYYKFPOVQTM-UHFFFAOYSA-N 0 1 264.245 0.024 20 5 CCBDMN CC(C)N1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001350587343 925233330 /nfs/dbraw/zinc/23/33/30/925233330.db2.gz JPWIOBOQCBTDOS-SNVBAGLBSA-N 0 1 282.348 0.683 20 5 CCBDMN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001360506637 926947930 /nfs/dbraw/zinc/94/79/30/926947930.db2.gz HHLZXAREBIFYSA-SGIHWFKDSA-N 0 1 290.341 0.124 20 5 CCBDMN Nc1ncc(C(=O)NCCN2CC=CCC2)cc1[N+](=O)[O-] ZINC001448786257 930982896 /nfs/dbraw/zinc/98/28/96/930982896.db2.gz NKMGPGXRNVLJSN-UHFFFAOYSA-N 0 1 291.311 0.564 20 5 CCBDMN C[C@@H](C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)C(=O)[O-] ZINC001589034370 955550226 /nfs/dbraw/zinc/55/02/26/955550226.db2.gz ZWPHDENQAABHCO-VIFPVBQESA-N 0 1 283.284 0.409 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC(=O)[O-])C(C)C ZINC000037995183 957342032 /nfs/dbraw/zinc/34/20/32/957342032.db2.gz JAHXMJQLEHSQKZ-UHFFFAOYSA-N 0 1 270.289 0.895 20 5 CCBDMN C[C@H](CO)[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599892391 984710574 /nfs/dbraw/zinc/71/05/74/984710574.db2.gz NAKDVNXUGDUMOU-SECBINFHSA-N 0 1 298.295 0.871 20 5 CCBDMN C[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@]1(C)C(=O)[O-] ZINC001599930435 985303795 /nfs/dbraw/zinc/30/37/95/985303795.db2.gz MLKFAEQECBMESH-KWQFWETISA-N 0 1 268.273 0.791 20 5 CCBDMN C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C(=O)[O-])C1 ZINC001598611121 993774605 /nfs/dbraw/zinc/77/46/05/993774605.db2.gz OBEHDWFXBKEHSP-QMMMGPOBSA-N 0 1 296.283 0.011 20 5 CCBDMN O=C1NC[C@@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CCN12 ZINC000091863876 349476575 /nfs/dbraw/zinc/47/65/75/349476575.db2.gz QCVHQYLRLIWEPJ-SNVBAGLBSA-N 0 1 292.295 0.510 20 5 CCBDMN COC(=O)[C@]1(OC)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000599561319 361739440 /nfs/dbraw/zinc/73/94/40/361739440.db2.gz BMKAMDWMGANFRO-LBPRGKRZSA-N 0 1 298.299 0.055 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CC[C@H]3CC[C@@H](C2)[S@]3=O)n1 ZINC000599631965 361764877 /nfs/dbraw/zinc/76/48/77/361764877.db2.gz LPTMFIXWRVFFSY-NLQQUQSOSA-N 0 1 298.368 0.777 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000125003965 187164852 /nfs/dbraw/zinc/16/48/52/187164852.db2.gz FYLDSBOAGMRGKS-MRVPVSSYSA-N 0 1 264.285 0.611 20 5 CCBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000093502505 349543602 /nfs/dbraw/zinc/54/36/02/349543602.db2.gz PCOWMLFGMFUBSU-UHFFFAOYSA-N 0 1 284.312 0.723 20 5 CCBDMN O=[N+]([O-])c1ccccc1/C=C/CN(CCO)CCO ZINC000600179324 361882862 /nfs/dbraw/zinc/88/28/62/361882862.db2.gz NMCYDBSWLFXYHS-HWKANZROSA-N 0 1 266.297 0.895 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111009942 349764871 /nfs/dbraw/zinc/76/48/71/349764871.db2.gz KQLGOYCOQBVVGR-UHFFFAOYSA-N 0 1 282.647 0.691 20 5 CCBDMN CNC(=O)C[C@H](C)NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000449601496 529872523 /nfs/dbraw/zinc/87/25/23/529872523.db2.gz NCPDPTUUIGIXPK-QMMMGPOBSA-N 0 1 297.311 0.923 20 5 CCBDMN C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000118494413 349903613 /nfs/dbraw/zinc/90/36/13/349903613.db2.gz HPXCGPGJCPOINK-MRVPVSSYSA-N 0 1 280.284 0.377 20 5 CCBDMN C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000118494413 349903615 /nfs/dbraw/zinc/90/36/15/349903615.db2.gz HPXCGPGJCPOINK-MRVPVSSYSA-N 0 1 280.284 0.377 20 5 CCBDMN C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000118494413 349903617 /nfs/dbraw/zinc/90/36/17/349903617.db2.gz HPXCGPGJCPOINK-MRVPVSSYSA-N 0 1 280.284 0.377 20 5 CCBDMN Cn1nccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356319709 232046062 /nfs/dbraw/zinc/04/60/62/232046062.db2.gz CWVRPTLPAZHNPN-UHFFFAOYSA-N 0 1 276.252 0.964 20 5 CCBDMN CC[C@H]1[C@H](CO)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602679184 362745540 /nfs/dbraw/zinc/74/55/40/362745540.db2.gz OZGAXJLLTMGQIR-ONGXEEELSA-N 0 1 268.317 0.921 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)CCNC(=O)N(C)C ZINC000602797192 362805948 /nfs/dbraw/zinc/80/59/48/362805948.db2.gz IRQPCOSDAFMSNZ-UHFFFAOYSA-N 0 1 298.347 0.303 20 5 CCBDMN COC(=O)CC1(NCc2cn(C)nc2[N+](=O)[O-])CCC1 ZINC000602803249 362808772 /nfs/dbraw/zinc/80/87/72/362808772.db2.gz ARONDECCRCHBCR-UHFFFAOYSA-N 0 1 282.300 0.904 20 5 CCBDMN CC[C@@H]1OCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602840671 362829144 /nfs/dbraw/zinc/82/91/44/362829144.db2.gz PIFDLDWJWZVQTD-ZJUUUORDSA-N 0 1 254.290 0.985 20 5 CCBDMN COC[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000262222320 137031317 /nfs/dbraw/zinc/03/13/17/137031317.db2.gz FTWVMHWAKOBAKE-JTQLQIEISA-N 0 1 283.284 0.193 20 5 CCBDMN CC[C@@H](O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000344367004 137190773 /nfs/dbraw/zinc/19/07/73/137190773.db2.gz CSLJLMGVTLJHLL-MRVPVSSYSA-N 0 1 278.268 0.972 20 5 CCBDMN O=C(COc1ccccc1[N+](=O)[O-])N1CCNCC1 ZINC000032048151 348129812 /nfs/dbraw/zinc/12/98/12/348129812.db2.gz CBRLIVCNOQECIK-UHFFFAOYSA-N 0 1 265.269 0.405 20 5 CCBDMN CS(=O)(=O)c1ccc(NCc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000037920165 348219151 /nfs/dbraw/zinc/21/91/51/348219151.db2.gz FTMVGYVTIIUHJX-UHFFFAOYSA-N 0 1 297.296 0.729 20 5 CCBDMN C[C@]1(CO)C[C@@H](O)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000602903782 362876177 /nfs/dbraw/zinc/87/61/77/362876177.db2.gz BPRZNITVBRPYJG-BXUZGUMPSA-N 0 1 296.323 0.791 20 5 CCBDMN O=C(NCc1nnc[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000043571948 348311021 /nfs/dbraw/zinc/31/10/21/348311021.db2.gz MZMQXJJXPNWTKW-UHFFFAOYSA-N 0 1 265.204 0.782 20 5 CCBDMN Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1-n1cnnn1 ZINC000044498454 348320552 /nfs/dbraw/zinc/32/05/52/348320552.db2.gz FIGHIPIJMAIXJT-MWLCHTKSSA-N 0 1 288.267 0.574 20 5 CCBDMN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC000050015979 348463445 /nfs/dbraw/zinc/46/34/45/348463445.db2.gz XPFYUAXCONHIIP-LLVKDONJSA-N 0 1 265.269 0.199 20 5 CCBDMN NC(=O)c1ccc(CN2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000051887347 348499631 /nfs/dbraw/zinc/49/96/31/348499631.db2.gz STXASPQEBOIFQY-SECBINFHSA-N 0 1 279.296 0.508 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000064336362 348698560 /nfs/dbraw/zinc/69/85/60/348698560.db2.gz FLSZFEIDYLDWOI-LURJTMIESA-N 0 1 254.246 0.487 20 5 CCBDMN CN(Cc1nnc[nH]1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000080527744 349215634 /nfs/dbraw/zinc/21/56/34/349215634.db2.gz KSAIPHNJTOSACY-UHFFFAOYSA-N 0 1 297.296 0.534 20 5 CCBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1nc[nH]n1 ZINC000080624034 349222556 /nfs/dbraw/zinc/22/25/56/349222556.db2.gz OBWRRMCZBBRRDO-UHFFFAOYSA-N 0 1 297.296 0.234 20 5 CCBDMN CC[N@H+]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000137946415 350439790 /nfs/dbraw/zinc/43/97/90/350439790.db2.gz IBLCWSZODAIGKI-MRVPVSSYSA-N 0 1 267.289 0.532 20 5 CCBDMN CCN1CCC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000137946415 350439792 /nfs/dbraw/zinc/43/97/92/350439792.db2.gz IBLCWSZODAIGKI-MRVPVSSYSA-N 0 1 267.289 0.532 20 5 CCBDMN COc1ccc(CN(CCO)CCCO)cc1[N+](=O)[O-] ZINC000109797606 186271603 /nfs/dbraw/zinc/27/16/03/186271603.db2.gz ZDSSJODQLHRZIE-UHFFFAOYSA-N 0 1 284.312 0.780 20 5 CCBDMN COC[C@@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167828953 350814778 /nfs/dbraw/zinc/81/47/78/350814778.db2.gz MVRCGTWAKWZZKL-LDYMZIIASA-N 0 1 267.285 0.746 20 5 CCBDMN CCN1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000618385413 366010889 /nfs/dbraw/zinc/01/08/89/366010889.db2.gz HLNPIBCXJZZCJU-VIFPVBQESA-N 0 1 294.311 0.862 20 5 CCBDMN CNC(=O)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176239247 351163995 /nfs/dbraw/zinc/16/39/95/351163995.db2.gz LEYACFHKERFUKK-SNVBAGLBSA-N 0 1 281.316 0.249 20 5 CCBDMN C[C@@]1(O)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000177974387 351217349 /nfs/dbraw/zinc/21/73/49/351217349.db2.gz IFBSBCDCTUJEAR-CYBMUJFWSA-N 0 1 279.296 0.650 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H](O)C[C@H]2CO)c1 ZINC000186491816 351498184 /nfs/dbraw/zinc/49/81/84/351498184.db2.gz FURRCTLVIIWOOV-RWMBFGLXSA-N 0 1 282.296 0.056 20 5 CCBDMN C[N@@H+]1CC[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186993493 351524752 /nfs/dbraw/zinc/52/47/52/351524752.db2.gz TVJDALNEZCLYHF-QMMMGPOBSA-N 0 1 280.284 0.377 20 5 CCBDMN C[N@H+]1CC[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186993493 351524756 /nfs/dbraw/zinc/52/47/56/351524756.db2.gz TVJDALNEZCLYHF-QMMMGPOBSA-N 0 1 280.284 0.377 20 5 CCBDMN Cc1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000187671516 351553014 /nfs/dbraw/zinc/55/30/14/351553014.db2.gz GGOWKARCKUIXEF-RYUDHWBXSA-N 0 1 266.297 0.831 20 5 CCBDMN NC(=O)c1ccc(N2CCN3CCC2CC3)c([N+](=O)[O-])c1 ZINC000190276199 351716534 /nfs/dbraw/zinc/71/65/34/351716534.db2.gz IEKYWIDBJZAAQM-UHFFFAOYSA-N 0 1 290.323 0.978 20 5 CCBDMN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271471786 191156269 /nfs/dbraw/zinc/15/62/69/191156269.db2.gz YXTYJGUIWWVVJB-WCBMZHEXSA-N 0 1 293.327 0.541 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000270393119 352928616 /nfs/dbraw/zinc/92/86/16/352928616.db2.gz SUYDHRSVVFJZOI-MRVPVSSYSA-N 0 1 282.300 0.896 20 5 CCBDMN CNC(=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272532579 353071945 /nfs/dbraw/zinc/07/19/45/353071945.db2.gz IQGVQHFEELBBTP-UHFFFAOYSA-N 0 1 267.241 0.166 20 5 CCBDMN C[C@@H](O)CN1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000276125724 353207466 /nfs/dbraw/zinc/20/74/66/353207466.db2.gz NPHKFBKKKVDQGR-VHSXEESVSA-N 0 1 281.316 0.276 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCOCC1 ZINC000155618272 188216207 /nfs/dbraw/zinc/21/62/07/188216207.db2.gz JYDASOQAVNAKDD-SSDOTTSWSA-N 0 1 268.273 0.863 20 5 CCBDMN CCN1CCN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000286278227 353574043 /nfs/dbraw/zinc/57/40/43/353574043.db2.gz HUYWOSGYCGGAJG-VIFPVBQESA-N 0 1 253.306 0.859 20 5 CCBDMN CC(C)N1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331075089 354439879 /nfs/dbraw/zinc/43/98/79/354439879.db2.gz VBJXRFWDBVBDCZ-UHFFFAOYSA-N 0 1 267.333 0.854 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000331102523 354450184 /nfs/dbraw/zinc/45/01/84/354450184.db2.gz GTONMOQVYQYHPR-QMMMGPOBSA-N 0 1 268.273 0.735 20 5 CCBDMN O=C(N[C@H]1CC[S@@](=O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000334029730 354836743 /nfs/dbraw/zinc/83/67/43/354836743.db2.gz IVLKZHGSPUUKMF-WPCRTTGESA-N 0 1 284.293 0.551 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000337107320 355265816 /nfs/dbraw/zinc/26/58/16/355265816.db2.gz BMZNUWGJUZLESA-SSDOTTSWSA-N 0 1 281.272 0.059 20 5 CCBDMN C[C@H](C(=O)NC(N)=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338384868 355337381 /nfs/dbraw/zinc/33/73/81/355337381.db2.gz QCJKVZIAVPDDRK-SECBINFHSA-N 0 1 294.311 0.653 20 5 CCBDMN C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339150382 355495671 /nfs/dbraw/zinc/49/56/71/355495671.db2.gz WLDXIQOHMAYZBK-CYBMUJFWSA-N 0 1 279.296 0.998 20 5 CCBDMN CCN(C[C@H](C)O)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000341343973 355657111 /nfs/dbraw/zinc/65/71/11/355657111.db2.gz FRAWBJXOKYPZJT-LURJTMIESA-N 0 1 256.262 0.469 20 5 CCBDMN O=C(NCc1ccc(=O)[nH]c1)c1n[nH]cc1[N+](=O)[O-] ZINC000345453518 355830460 /nfs/dbraw/zinc/83/04/60/355830460.db2.gz SWCCSLTWVVYNQY-UHFFFAOYSA-N 0 1 263.213 0.349 20 5 CCBDMN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1nnc[nH]1 ZINC000174547015 188905147 /nfs/dbraw/zinc/90/51/47/188905147.db2.gz BDEMTOGLBTXVIP-QMMMGPOBSA-N 0 1 291.267 0.969 20 5 CCBDMN O=C(NC1(c2nn[nH]n2)CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000352977525 356124513 /nfs/dbraw/zinc/12/45/13/356124513.db2.gz QDZREUURUGXEKF-UHFFFAOYSA-N 0 1 292.259 0.030 20 5 CCBDMN CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1COC[C@@H]1O ZINC000352805162 356084765 /nfs/dbraw/zinc/08/47/65/356084765.db2.gz RDQFNEZIGINXRB-RYUDHWBXSA-N 0 1 282.296 0.665 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000354221155 356369213 /nfs/dbraw/zinc/36/92/13/356369213.db2.gz KTOUODDWFZEMTH-UHFFFAOYSA-N 0 1 264.245 0.322 20 5 CCBDMN CCO[C@H]1COCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000354339002 356393495 /nfs/dbraw/zinc/39/34/95/356393495.db2.gz JRWWRRPJEFMXLH-APPZFPTMSA-N 0 1 284.272 0.242 20 5 CCBDMN CO[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CCO1 ZINC000619565869 366283331 /nfs/dbraw/zinc/28/33/31/366283331.db2.gz KMVDJJNHSXLMNF-SSDOTTSWSA-N 0 1 270.245 0.071 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2COC[C@@H]2O)c1[N+](=O)[O-] ZINC000342440212 535320631 /nfs/dbraw/zinc/32/06/31/535320631.db2.gz OTWGYBGTJQYXJX-YUMQZZPRSA-N 0 1 298.299 0.273 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609533051 363502399 /nfs/dbraw/zinc/50/23/99/363502399.db2.gz WBLGIWRHXXAXER-UHFFFAOYSA-N 0 1 287.239 0.519 20 5 CCBDMN CCN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000610336478 363551719 /nfs/dbraw/zinc/55/17/19/363551719.db2.gz OKYOCXMRZNBYQL-YPMHNXCESA-N 0 1 297.359 0.178 20 5 CCBDMN CCN1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1=O ZINC000619825144 366361190 /nfs/dbraw/zinc/36/11/90/366361190.db2.gz IJHXJUFQOFCQDQ-NSHDSACASA-N 0 1 293.279 0.651 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)Cc2nncn2C)c1[N+](=O)[O-] ZINC000360460118 357017047 /nfs/dbraw/zinc/01/70/47/357017047.db2.gz HNDLNFXNAYPLOV-UHFFFAOYSA-N 0 1 293.287 0.281 20 5 CCBDMN C[N@H+]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000408010661 357866408 /nfs/dbraw/zinc/86/64/08/357866408.db2.gz WQBXMLVLEZPLJQ-UHFFFAOYSA-N 0 1 295.343 0.691 20 5 CCBDMN CN1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000408010661 357866411 /nfs/dbraw/zinc/86/64/11/357866411.db2.gz WQBXMLVLEZPLJQ-UHFFFAOYSA-N 0 1 295.343 0.691 20 5 CCBDMN O=C(N[C@@H]1CCCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000408120972 357926579 /nfs/dbraw/zinc/92/65/79/357926579.db2.gz ZXAOXBGWRKOJII-SSDOTTSWSA-N 0 1 254.246 0.617 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408375742 358061066 /nfs/dbraw/zinc/06/10/66/358061066.db2.gz LGTWCNCUAMRFJO-HTRCEHHLSA-N 0 1 268.273 0.469 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408441088 358096008 /nfs/dbraw/zinc/09/60/08/358096008.db2.gz GUCDRTHIKVGRHD-NKWVEPMBSA-N 0 1 268.273 0.476 20 5 CCBDMN C[C@@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569486115 358768451 /nfs/dbraw/zinc/76/84/51/358768451.db2.gz PZKBTCCREOQSGN-VIFPVBQESA-N 0 1 288.325 0.339 20 5 CCBDMN COCCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000586775247 359289353 /nfs/dbraw/zinc/28/93/53/359289353.db2.gz AZOIECWEVCUMPL-SECBINFHSA-N 0 1 297.315 0.159 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000588849529 359340811 /nfs/dbraw/zinc/34/08/11/359340811.db2.gz UFUIZDYVFZNHTI-UHFFFAOYSA-N 0 1 292.251 0.885 20 5 CCBDMN O=C(N[C@@H](CO)CN1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000588868664 359344834 /nfs/dbraw/zinc/34/48/34/359344834.db2.gz BKSDMECHDYKIMZ-SNVBAGLBSA-N 0 1 299.352 0.843 20 5 CCBDMN CCN1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000611088235 363657262 /nfs/dbraw/zinc/65/72/62/363657262.db2.gz KSWIPJZAVGJZSY-MRVPVSSYSA-N 0 1 281.316 0.793 20 5 CCBDMN CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000611087950 363658025 /nfs/dbraw/zinc/65/80/25/363658025.db2.gz VELSKCLIUYOIKP-SNVBAGLBSA-N 0 1 281.316 0.344 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000611234047 363690596 /nfs/dbraw/zinc/69/05/96/363690596.db2.gz QKULSPQBGDDGMR-QMMMGPOBSA-N 0 1 279.300 0.295 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000611200409 363678480 /nfs/dbraw/zinc/67/84/80/363678480.db2.gz UKWJAQCAWOSUEZ-UHFFFAOYSA-N 0 1 297.315 0.431 20 5 CCBDMN CCCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592828131 359946835 /nfs/dbraw/zinc/94/68/35/359946835.db2.gz CWNDCMDUOXFMOC-SECBINFHSA-N 0 1 281.316 0.874 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CN(C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592901793 359973179 /nfs/dbraw/zinc/97/31/79/359973179.db2.gz OIHOYRGTDJFIDG-ZETCQYMHSA-N 0 1 295.299 0.531 20 5 CCBDMN C[C@]1(C(=O)[O-])CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593746533 360146542 /nfs/dbraw/zinc/14/65/42/360146542.db2.gz RZUHKOCEWJDOMB-ZYHUDNBSSA-N 0 1 298.299 0.091 20 5 CCBDMN O=C(N[C@@H](CO)CCF)c1cc(O)cc([N+](=O)[O-])c1 ZINC000593861059 360179517 /nfs/dbraw/zinc/17/95/17/360179517.db2.gz OYQXBPLLDXPHSA-MRVPVSSYSA-N 0 1 272.232 0.751 20 5 CCBDMN C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000594401773 360294531 /nfs/dbraw/zinc/29/45/31/360294531.db2.gz HQVNIWXVYDMBEL-WAAGHKOSSA-N 0 1 294.311 0.765 20 5 CCBDMN COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595658249 360607567 /nfs/dbraw/zinc/60/75/67/360607567.db2.gz DNZXRAUEYUYETJ-CMPLNLGQSA-N 0 1 296.279 0.721 20 5 CCBDMN O=[N+]([O-])c1ccccc1CN1CCC(CO)(CO)C1 ZINC000595802043 360659425 /nfs/dbraw/zinc/65/94/25/360659425.db2.gz YIZAOPSPWZQCQI-UHFFFAOYSA-N 0 1 266.297 0.772 20 5 CCBDMN COCc1nc(CNc2ccncc2[N+](=O)[O-])n[nH]1 ZINC000596437412 360896085 /nfs/dbraw/zinc/89/60/85/360896085.db2.gz XUGPQYAKWWPWNW-UHFFFAOYSA-N 0 1 264.245 0.288 20 5 CCBDMN COCc1nnc(CNc2ccncc2[N+](=O)[O-])[nH]1 ZINC000596437412 360896087 /nfs/dbraw/zinc/89/60/87/360896087.db2.gz XUGPQYAKWWPWNW-UHFFFAOYSA-N 0 1 264.245 0.288 20 5 CCBDMN COC[C@@H](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])OC ZINC000597888479 361277158 /nfs/dbraw/zinc/27/71/58/361277158.db2.gz RVHOYBQTPYQLDY-SSDOTTSWSA-N 0 1 272.261 0.099 20 5 CCBDMN CCC[N@@H+]1CC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000598344059 361392552 /nfs/dbraw/zinc/39/25/52/361392552.db2.gz ZEOIALWFATWIOF-SNVBAGLBSA-N 0 1 294.311 0.910 20 5 CCBDMN CCC[N@H+]1CC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000598344059 361392554 /nfs/dbraw/zinc/39/25/54/361392554.db2.gz ZEOIALWFATWIOF-SNVBAGLBSA-N 0 1 294.311 0.910 20 5 CCBDMN O=C(NCC(O)(C1CC1)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000598288813 361378179 /nfs/dbraw/zinc/37/81/79/361378179.db2.gz PYCVMPAXHSDXCC-UHFFFAOYSA-N 0 1 280.284 0.599 20 5 CCBDMN O=c1[nH]nc2n1CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC000613430230 364248398 /nfs/dbraw/zinc/24/83/98/364248398.db2.gz DKDPBIABEBZREH-UHFFFAOYSA-N 0 1 296.674 0.961 20 5 CCBDMN CNC(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496651956 240288796 /nfs/dbraw/zinc/28/87/96/240288796.db2.gz UFDFVYFQLSLHDX-OPRDCNLKSA-N 0 1 285.300 0.389 20 5 CCBDMN Cc1ccc(CNC[C@@H]2CC(C(N)=O)=NO2)cc1[N+](=O)[O-] ZINC000276492698 193354343 /nfs/dbraw/zinc/35/43/43/193354343.db2.gz QLEAIQWXDJIERD-JTQLQIEISA-N 0 1 292.295 0.623 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@]1(C)C[NH3+] ZINC000568999874 291641572 /nfs/dbraw/zinc/64/15/72/291641572.db2.gz WYMXQFHUWXJCKW-AMIZOPFISA-N 0 1 294.311 0.752 20 5 CCBDMN CC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186288647 388831416 /nfs/dbraw/zinc/83/14/16/388831416.db2.gz PWXGVQZMCZXBHJ-UHFFFAOYSA-N 0 1 267.285 0.982 20 5 CCBDMN CC[C@@H](CO)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000293598638 388985573 /nfs/dbraw/zinc/98/55/73/388985573.db2.gz BRHIUULUHCOTAT-NSHDSACASA-N 0 1 281.312 0.896 20 5 CCBDMN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000302415924 389069680 /nfs/dbraw/zinc/06/96/80/389069680.db2.gz HUNGQRFQHMDMJW-MNOVXSKESA-N 0 1 280.328 0.881 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000338362234 389109910 /nfs/dbraw/zinc/10/99/10/389109910.db2.gz YDQSYGXWHKUTKI-ZETCQYMHSA-N 0 1 268.273 0.735 20 5 CCBDMN CN(CCn1ccc([N+](=O)[O-])n1)C1(C(N)=O)CCCC1 ZINC000120169202 389142134 /nfs/dbraw/zinc/14/21/34/389142134.db2.gz RZMAKDSOOZJFEL-UHFFFAOYSA-N 0 1 281.316 0.521 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000264441314 389328897 /nfs/dbraw/zinc/32/88/97/389328897.db2.gz QCCSEGFTPPAEBJ-SSDOTTSWSA-N 0 1 254.246 0.487 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153377481 389299153 /nfs/dbraw/zinc/29/91/53/389299153.db2.gz LNUQNQGOJFDCGM-AOOOYVTPSA-N 0 1 295.343 0.699 20 5 CCBDMN CC(C)C[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000160846864 389400925 /nfs/dbraw/zinc/40/09/25/389400925.db2.gz LOUHPCZDZPSWLX-SSDOTTSWSA-N 0 1 256.262 0.455 20 5 CCBDMN Cc1cc(C)n(CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000159399719 389365673 /nfs/dbraw/zinc/36/56/73/389365673.db2.gz RFHOYWWJFXXRQA-UHFFFAOYSA-N 0 1 292.299 0.951 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)N1 ZINC000422823589 389482399 /nfs/dbraw/zinc/48/23/99/389482399.db2.gz LVNLHNYHFYILMP-BQBZGAKWSA-N 0 1 253.262 0.140 20 5 CCBDMN C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)CN1C ZINC000351504293 389597564 /nfs/dbraw/zinc/59/75/64/389597564.db2.gz IUVFHFMINNTHDA-YUMQZZPRSA-N 0 1 266.305 0.326 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000428608895 389710014 /nfs/dbraw/zinc/71/00/14/389710014.db2.gz ZKLFCLKHJUVDFB-QMMMGPOBSA-N 0 1 268.273 0.613 20 5 CCBDMN Cc1nc(CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)n[nH]1 ZINC000392668344 389774741 /nfs/dbraw/zinc/77/47/41/389774741.db2.gz XKBKXCHHCBRLDE-UHFFFAOYSA-N 0 1 287.283 0.974 20 5 CCBDMN Cc1nnc(CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]1 ZINC000392668344 389774744 /nfs/dbraw/zinc/77/47/44/389774744.db2.gz XKBKXCHHCBRLDE-UHFFFAOYSA-N 0 1 287.283 0.974 20 5 CCBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCNCC1 ZINC000417223114 389804328 /nfs/dbraw/zinc/80/43/28/389804328.db2.gz GHDSDUOKKXBMQL-UHFFFAOYSA-N 0 1 278.312 0.752 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(C)(COC)C2)c1[N+](=O)[O-] ZINC000447882249 389967639 /nfs/dbraw/zinc/96/76/39/389967639.db2.gz OHJLCFMCPCOLKJ-UHFFFAOYSA-N 0 1 282.300 0.989 20 5 CCBDMN C[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000445146918 389921702 /nfs/dbraw/zinc/92/17/02/389921702.db2.gz ZLLOHYBCQRRWLE-IUCAKERBSA-N 0 1 294.311 0.860 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000446401003 389935585 /nfs/dbraw/zinc/93/55/85/389935585.db2.gz RXLGTMVYOZQSTC-DTORHVGOSA-N 0 1 264.285 0.889 20 5 CCBDMN Cc1nc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n[nH]1 ZINC000488266855 390092407 /nfs/dbraw/zinc/09/24/07/390092407.db2.gz QJYKJFRKGKPEHO-UHFFFAOYSA-N 0 1 287.235 0.818 20 5 CCBDMN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CCN1C ZINC000489405032 390099944 /nfs/dbraw/zinc/09/99/44/390099944.db2.gz TVQIVFDNNATYKD-NSHDSACASA-N 0 1 295.343 0.741 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000537641743 390183296 /nfs/dbraw/zinc/18/32/96/390183296.db2.gz VEASSMSIVLQLQC-UHFFFAOYSA-N 0 1 276.256 0.389 20 5 CCBDMN CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000583261866 390277476 /nfs/dbraw/zinc/27/74/76/390277476.db2.gz ACANRMHRNWESGQ-UHFFFAOYSA-N 0 1 254.246 0.035 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000545246847 390320284 /nfs/dbraw/zinc/32/02/84/390320284.db2.gz PQOWTHQWZVCALM-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN O=c1c(Cl)cc([N+](=O)[O-])cn1CCc1c[nH]nn1 ZINC000572226361 390772948 /nfs/dbraw/zinc/77/29/48/390772948.db2.gz JFGFHRDOQHDXHU-UHFFFAOYSA-N 0 1 269.648 0.771 20 5 CCBDMN O=c1c(Cl)cc([N+](=O)[O-])cn1CCc1cnn[nH]1 ZINC000572226361 390772950 /nfs/dbraw/zinc/77/29/50/390772950.db2.gz JFGFHRDOQHDXHU-UHFFFAOYSA-N 0 1 269.648 0.771 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000532631191 390882744 /nfs/dbraw/zinc/88/27/44/390882744.db2.gz AHBZNHGGZLUONW-IUCAKERBSA-N 0 1 282.300 0.859 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@]23CCOC3)c1 ZINC000341963259 130176560 /nfs/dbraw/zinc/17/65/60/130176560.db2.gz FLPVXSCSNSRDGA-CHWSQXEVSA-N 0 1 296.327 0.407 20 5 CCBDMN C[C@@H](CO)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000268929116 132090091 /nfs/dbraw/zinc/09/00/91/132090091.db2.gz XPHOCCVWYPQWLI-SSDOTTSWSA-N 0 1 278.268 0.829 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC(O)C2)c1[N+](=O)[O-] ZINC000268929753 132090151 /nfs/dbraw/zinc/09/01/51/132090151.db2.gz QNLALYWOYCHWFP-UHFFFAOYSA-N 0 1 254.246 0.087 20 5 CCBDMN CN1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1=O ZINC000269172096 132124671 /nfs/dbraw/zinc/12/46/71/132124671.db2.gz IFJPFZUFTWUHBO-SECBINFHSA-N 0 1 293.279 0.651 20 5 CCBDMN CCOC(=O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269272538 132148084 /nfs/dbraw/zinc/14/80/84/132148084.db2.gz HABRCGITOQWGED-UHFFFAOYSA-N 0 1 268.225 0.593 20 5 CCBDMN C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CCN1CC(C)(C)O ZINC000275509894 135108520 /nfs/dbraw/zinc/10/85/20/135108520.db2.gz MFMMUXOAWFLNKC-JTQLQIEISA-N 0 1 295.343 0.666 20 5 CCBDMN CCN1CCC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357185073 144067864 /nfs/dbraw/zinc/06/78/64/144067864.db2.gz MNYOAZCZVXVXLL-VIFPVBQESA-N 0 1 293.327 0.985 20 5 CCBDMN O=C(NC1(CO)CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357481879 144095101 /nfs/dbraw/zinc/09/51/01/144095101.db2.gz SFHLRZLRYNNRLT-UHFFFAOYSA-N 0 1 296.279 0.572 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](CO)[C@H](O)C1 ZINC000547405353 285939451 /nfs/dbraw/zinc/93/94/51/285939451.db2.gz XNUVPSMNLLNFNE-QPUJVOFHSA-N 0 1 296.279 0.116 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)Cc2cnn(C)c2C)c1[N+](=O)[O-] ZINC000548070896 286002718 /nfs/dbraw/zinc/00/27/18/286002718.db2.gz YHQPIKHRAPKHAH-UHFFFAOYSA-N 0 1 292.299 0.940 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000043709415 175103031 /nfs/dbraw/zinc/10/30/31/175103031.db2.gz BWLCNRVVJYSSJJ-CABZTGNLSA-N 0 1 279.296 0.760 20 5 CCBDMN CN(C)CCN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O ZINC000296844603 276788441 /nfs/dbraw/zinc/78/84/41/276788441.db2.gz XNKGUTDDZFLHDZ-UHFFFAOYSA-N 0 1 299.308 0.301 20 5 CCBDMN CN1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@@H]21 ZINC000377995892 277125328 /nfs/dbraw/zinc/12/53/28/277125328.db2.gz WPOIGPPUVPWVFO-JGVFFNPUSA-N 0 1 270.314 0.571 20 5 CCBDMN COC[C@@H](NCc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000347804271 277569612 /nfs/dbraw/zinc/56/96/12/277569612.db2.gz OOXQNJKVXQEDPZ-SECBINFHSA-N 0 1 254.290 0.843 20 5 CCBDMN C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000086468550 288242930 /nfs/dbraw/zinc/24/29/30/288242930.db2.gz SGXVQYICLRXRSF-ZJUUUORDSA-N 0 1 299.352 0.966 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCNCC1 ZINC000575396248 335099792 /nfs/dbraw/zinc/09/97/92/335099792.db2.gz LKWDKDKCFPZLPZ-UHFFFAOYSA-N 0 1 293.279 0.411 20 5 CCBDMN C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000577176024 335316178 /nfs/dbraw/zinc/31/61/78/335316178.db2.gz ACJDDNMEKGYKMP-IUCAKERBSA-N 0 1 294.311 0.895 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](C)C1 ZINC000579971905 335940750 /nfs/dbraw/zinc/94/07/50/335940750.db2.gz JITLWIMJIIYGFZ-RKDXNWHRSA-N 0 1 281.316 0.873 20 5 CCBDMN O=C(NCCC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000580892412 335980556 /nfs/dbraw/zinc/98/05/56/335980556.db2.gz JCQCLXQNFJALCT-SECBINFHSA-N 0 1 294.311 0.957 20 5 CCBDMN CCN1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000452950532 527947357 /nfs/dbraw/zinc/94/73/57/527947357.db2.gz KSNHGAOPVFAEAS-VIFPVBQESA-N 0 1 293.279 0.651 20 5 CCBDMN CC(C)c1n[nH]c(C(=O)NCc2nnc[nH]2)c1[N+](=O)[O-] ZINC000433754240 528000129 /nfs/dbraw/zinc/00/01/29/528000129.db2.gz SJUPRDNQEMNOGG-UHFFFAOYSA-N 0 1 279.260 0.489 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(=O)N(CC)C2)c1[N+](=O)[O-] ZINC000191829340 535997400 /nfs/dbraw/zinc/99/74/00/535997400.db2.gz GWLORDDLHOZKLN-UHFFFAOYSA-N 0 1 281.272 0.142 20 5 CCBDMN COCCN(CC(F)F)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264139437 536831692 /nfs/dbraw/zinc/83/16/92/536831692.db2.gz ODBXAAQOJRIKBE-UHFFFAOYSA-N 0 1 292.242 0.980 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782603764 581312414 /nfs/dbraw/zinc/31/24/14/581312414.db2.gz ISGUFOCBVFRCPU-BNOWGMLFSA-N 0 1 278.308 0.942 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCCCNC2=O)c1[N+](=O)[O-] ZINC000729361629 581576376 /nfs/dbraw/zinc/57/63/76/581576376.db2.gz CXZKIJCGCQACMD-MRVPVSSYSA-N 0 1 295.299 0.367 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCc1c[nH]nn1 ZINC000735003268 581603179 /nfs/dbraw/zinc/60/31/79/581603179.db2.gz XRHQQJJPKRFCAX-UHFFFAOYSA-N 0 1 294.271 0.394 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCc1cnn[nH]1 ZINC000735003268 581603182 /nfs/dbraw/zinc/60/31/82/581603182.db2.gz XRHQQJJPKRFCAX-UHFFFAOYSA-N 0 1 294.271 0.394 20 5 CCBDMN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000763893601 582019293 /nfs/dbraw/zinc/01/92/93/582019293.db2.gz XGLPXTUVGWEHOJ-KGLIPLIRSA-N 0 1 296.323 0.711 20 5 CCBDMN O=C(NCCOC1CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000764420056 582046119 /nfs/dbraw/zinc/04/61/19/582046119.db2.gz OOPVQYCITNXSRO-UHFFFAOYSA-N 0 1 254.246 0.617 20 5 CCBDMN NC(=O)N[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776599223 582084545 /nfs/dbraw/zinc/08/45/45/582084545.db2.gz YSRDTXOTRZJLSF-CMPLNLGQSA-N 0 1 294.311 0.371 20 5 CCBDMN COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000881746715 616591190 /nfs/dbraw/zinc/59/11/90/616591190.db2.gz JFVDSGBJZUTMIF-HRDYMLBCSA-N 0 1 258.274 0.356 20 5 CCBDMN Cc1nn(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000819029998 597538133 /nfs/dbraw/zinc/53/81/33/597538133.db2.gz PMDILTKUQWXWCI-SECBINFHSA-N 0 1 268.273 0.772 20 5 CCBDMN Cc1nn(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000819029998 597538134 /nfs/dbraw/zinc/53/81/34/597538134.db2.gz PMDILTKUQWXWCI-SECBINFHSA-N 0 1 268.273 0.772 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1NC(=O)[O-] ZINC000826056066 603709978 /nfs/dbraw/zinc/70/99/78/603709978.db2.gz ASTSHVBKVMPIAY-ZJUUUORDSA-N 0 1 297.315 0.769 20 5 CCBDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000833834324 605887787 /nfs/dbraw/zinc/88/77/87/605887787.db2.gz NHNZPAWZSCTPPF-UWVGGRQHSA-N 0 1 297.315 0.769 20 5 CCBDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000833834067 605900826 /nfs/dbraw/zinc/90/08/26/605900826.db2.gz MFAAZVXEVGIQTL-NXEZZACHSA-N 0 1 297.315 0.769 20 5 CCBDMN C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[NH+](C)C ZINC000820280435 607166778 /nfs/dbraw/zinc/16/67/78/607166778.db2.gz GCLOUVLPCYMJIH-ZETCQYMHSA-N 0 1 292.303 0.532 20 5 CCBDMN C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[NH+](C)C ZINC000820280435 607166780 /nfs/dbraw/zinc/16/67/80/607166780.db2.gz GCLOUVLPCYMJIH-ZETCQYMHSA-N 0 1 292.303 0.532 20 5 CCBDMN CC(C)S(=O)(=O)CCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671248 614062040 /nfs/dbraw/zinc/06/20/40/614062040.db2.gz RRIGCJXERCOCHP-RKDXNWHRSA-N 0 1 279.314 0.408 20 5 CCBDMN CC(C)[C@H](O)C(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713307 614253219 /nfs/dbraw/zinc/25/32/19/614253219.db2.gz SMAVVMPEMMDAND-BBBLOLIVSA-N 0 1 258.318 0.811 20 5 CCBDMN CC(=O)NCCN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000830148336 613735320 /nfs/dbraw/zinc/73/53/20/613735320.db2.gz RMRRITCNNBCBIM-CYBMUJFWSA-N 0 1 281.312 0.696 20 5 CCBDMN CC(C)(C)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978798506 613892597 /nfs/dbraw/zinc/89/25/97/613892597.db2.gz IAIZPXCGGVEENC-LMLFDSFASA-N 0 1 297.355 0.709 20 5 CCBDMN CC(C)(C)NC(=O)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839644265 613947535 /nfs/dbraw/zinc/94/75/35/613947535.db2.gz OUFXHBHFBBDLAN-HTQZYQBOSA-N 0 1 257.290 0.073 20 5 CCBDMN CC(C)[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)N(C)C ZINC000803493321 614194291 /nfs/dbraw/zinc/19/42/91/614194291.db2.gz LDKDVDHFZDYVQE-LLVKDONJSA-N 0 1 284.316 0.921 20 5 CCBDMN CC(=O)O[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839711594 614227445 /nfs/dbraw/zinc/22/74/45/614227445.db2.gz XNSDIZZHFYWWLX-OPRDCNLKSA-N 0 1 256.258 0.206 20 5 CCBDMN CCC(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954239857 614477572 /nfs/dbraw/zinc/47/75/72/614477572.db2.gz SSNNBJFTLILOKJ-GHMZBOCLSA-N 0 1 297.355 0.757 20 5 CCBDMN CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000969001048 614861905 /nfs/dbraw/zinc/86/19/05/614861905.db2.gz CHCOSKQXPRAWLR-WRWGMCAJSA-N 0 1 295.339 0.654 20 5 CCBDMN CCN1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000882481779 615324926 /nfs/dbraw/zinc/32/49/26/615324926.db2.gz VRZLFXHTZGBNHA-VIFPVBQESA-N 0 1 266.301 0.757 20 5 CCBDMN CCOC(=O)[C@H](C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000874734002 615336948 /nfs/dbraw/zinc/33/69/48/615336948.db2.gz YTNUWOBXKKYJLM-SZEHBUNVSA-N 0 1 270.285 0.309 20 5 CCBDMN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000839779865 615433314 /nfs/dbraw/zinc/43/33/14/615433314.db2.gz MZHXPFXDGSBNOG-OOCWMUITSA-N 0 1 294.311 0.383 20 5 CCBDMN CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)C(=O)OC ZINC000842379990 615544465 /nfs/dbraw/zinc/54/44/65/615544465.db2.gz QPAGZJFNNRWPLR-FNCVBFRFSA-N 0 1 259.258 0.783 20 5 CCBDMN CN(C)C(=O)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105855458 615971219 /nfs/dbraw/zinc/97/12/19/615971219.db2.gz YGADSKJIRQJEHK-NSHDSACASA-N 0 1 267.285 0.306 20 5 CCBDMN CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000931409060 616242181 /nfs/dbraw/zinc/24/21/81/616242181.db2.gz IPTFCXJFZFVXJO-ZDUSSCGKSA-N 0 1 295.339 0.582 20 5 CCBDMN COC(=O)[C@@H]1CC=C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000845808409 616281722 /nfs/dbraw/zinc/28/17/22/616281722.db2.gz BQNUEMIVOYUFBX-UTINFBMNSA-N 0 1 269.253 0.703 20 5 CCBDMN COC(=O)[C@@H]1CCCC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842331913 616287484 /nfs/dbraw/zinc/28/74/84/616287484.db2.gz OPGLYICKCKARRW-ZYUZMQFOSA-N 0 1 271.269 0.927 20 5 CCBDMN C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000928559946 616300407 /nfs/dbraw/zinc/30/04/07/616300407.db2.gz NGOASPOZGBXCDY-SECBINFHSA-N 0 1 265.269 0.734 20 5 CCBDMN C[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000928559946 616300412 /nfs/dbraw/zinc/30/04/12/616300412.db2.gz NGOASPOZGBXCDY-SECBINFHSA-N 0 1 265.269 0.734 20 5 CCBDMN CN1CC[C@@](C)(COC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000870518368 616347228 /nfs/dbraw/zinc/34/72/28/616347228.db2.gz DTQRFBSMDKLGBS-XLDPMVHQSA-N 0 1 256.258 0.063 20 5 CCBDMN COC(=O)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839701807 616519971 /nfs/dbraw/zinc/51/99/71/616519971.db2.gz VQXJJNKXLHAXHA-GHMZBOCLSA-N 0 1 284.312 0.843 20 5 CCBDMN COC(=O)COCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837720655 616612308 /nfs/dbraw/zinc/61/23/08/616612308.db2.gz BNPRTNKEFWTNRH-UHFFFAOYSA-N 0 1 299.235 0.533 20 5 CCBDMN CNC(=O)COc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000842308522 616664748 /nfs/dbraw/zinc/66/47/48/616664748.db2.gz VOZRVSZZKSJMIR-GHMZBOCLSA-N 0 1 294.263 0.382 20 5 CCBDMN COC[C@H]1C[C@@H](O)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844404123 616813205 /nfs/dbraw/zinc/81/32/05/616813205.db2.gz KALAEILGSUQFEK-MCIONIFRSA-N 0 1 296.323 0.710 20 5 CCBDMN COCC1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839854226 616820098 /nfs/dbraw/zinc/82/00/98/616820098.db2.gz NZFZFCAQDTXMKN-JPPWEJMLSA-N 0 1 256.302 0.973 20 5 CCBDMN COC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCOCC1 ZINC000855291795 616892272 /nfs/dbraw/zinc/89/22/72/616892272.db2.gz PTEFOAKAKCNGJL-GMTAPVOTSA-N 0 1 272.301 0.209 20 5 CCBDMN CON(C)C(=O)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000863628850 617066651 /nfs/dbraw/zinc/06/66/51/617066651.db2.gz QLYICCDZUJOFDL-ZETCQYMHSA-N 0 1 297.267 0.439 20 5 CCBDMN O=C(Nc1ccnc2cccnc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000891219120 624765146 /nfs/dbraw/zinc/76/51/46/624765146.db2.gz SCSAYDFNVOYVJK-GMSGAONNSA-N 0 1 258.237 0.655 20 5 CCBDMN CS(=O)(=O)Cc1cccc(CNCC[N+](=O)[O-])c1 ZINC000905079866 634788856 /nfs/dbraw/zinc/78/88/56/634788856.db2.gz KMYQAHVALGMZOE-UHFFFAOYSA-N 0 1 272.326 0.598 20 5 CCBDMN O=C(NC[C@@H]1C[C@H](NC(=O)C2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000978794107 630844345 /nfs/dbraw/zinc/84/43/45/630844345.db2.gz FWTNFHBRGJCXTE-SASUGWTJSA-N 0 1 295.339 0.463 20 5 CCBDMN CC(C)C1(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000991292509 635854337 /nfs/dbraw/zinc/85/43/37/635854337.db2.gz AKEXIRBWJKGZRI-GHMZBOCLSA-N 0 1 295.339 0.415 20 5 CCBDMN O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC000839460359 640315795 /nfs/dbraw/zinc/31/57/95/640315795.db2.gz ICCNCEUYOZAWMQ-GMSGAONNSA-N 0 1 260.253 0.844 20 5 CCBDMN O=C(NC[C@H]1Cc2ccccc2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000839522732 640316740 /nfs/dbraw/zinc/31/67/40/640316740.db2.gz ZNOKYHCGMATZCK-GMTAPVOTSA-N 0 1 262.265 0.772 20 5 CCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000839694032 640351373 /nfs/dbraw/zinc/35/13/73/640351373.db2.gz KTMMZZUEKYPJPV-OSMVPFSASA-N 0 1 282.218 0.830 20 5 CCBDMN O=C(NC[C@H]1CSCCS1)[C@@H]1CC1[N+](=O)[O-] ZINC000839702030 640351710 /nfs/dbraw/zinc/35/17/10/640351710.db2.gz XTPQTKSKHAGTGR-XLPZGREQSA-N 0 1 262.356 0.616 20 5 CCBDMN O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839703961 640354334 /nfs/dbraw/zinc/35/43/34/640354334.db2.gz MFPFXGHTZAYATK-QJPTWQEYSA-N 0 1 295.339 0.559 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC2(C1)OCCO2 ZINC000839710109 640355939 /nfs/dbraw/zinc/35/59/39/640355939.db2.gz VIFZCWKDXKRNHV-RKDXNWHRSA-N 0 1 256.258 0.017 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000839710684 640356681 /nfs/dbraw/zinc/35/66/81/640356681.db2.gz OLGPODXBKBZCIN-LMLFDSFASA-N 0 1 254.286 0.537 20 5 CCBDMN O=C(NCc1ccc(OC(F)F)cn1)[C@@H]1CC1[N+](=O)[O-] ZINC000839746296 640360433 /nfs/dbraw/zinc/36/04/33/640360433.db2.gz UNZKPOIFBAJJJE-RKDXNWHRSA-N 0 1 287.222 0.964 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000839772331 640363017 /nfs/dbraw/zinc/36/30/17/640363017.db2.gz BTLPNCBRLYYTJO-JTLRNRKASA-N 0 1 264.281 0.890 20 5 CCBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCc1nc[nH]n1 ZINC000801915632 640672779 /nfs/dbraw/zinc/67/27/79/640672779.db2.gz TWSNEYOCIKZUHY-UHFFFAOYSA-N 0 1 294.246 0.407 20 5 CCBDMN C[C@H](c1ccccc1)N(CC(N)=O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840392710 641423834 /nfs/dbraw/zinc/42/38/34/641423834.db2.gz NQAVVGYXBCMQFJ-YUSALJHKSA-N 0 1 291.307 0.727 20 5 CCBDMN C[C@H](C[C@@H](O)c1ccco1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840396707 641428166 /nfs/dbraw/zinc/42/81/66/641428166.db2.gz RATQVGQLFLLAOK-ZYUZMQFOSA-N 0 1 268.269 0.873 20 5 CCBDMN O=C(OC[C@@H]1CCNC(=O)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000835518420 642666011 /nfs/dbraw/zinc/66/60/11/642666011.db2.gz DIIXSGIDYIRKEP-QMMMGPOBSA-N 0 1 281.268 0.996 20 5 CCBDMN C[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000853219403 644090947 /nfs/dbraw/zinc/09/09/47/644090947.db2.gz HORBWRDFABPMDO-SSDOTTSWSA-N 0 1 280.244 0.604 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)c1nnc[nH]1 ZINC000853217567 644091496 /nfs/dbraw/zinc/09/14/96/644091496.db2.gz BRINZYYKXLPFBU-SSDOTTSWSA-N 0 1 294.271 0.912 20 5 CCBDMN C[C@@]12COC[C@]1(C)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000855543621 644333896 /nfs/dbraw/zinc/33/38/96/644333896.db2.gz JTOGQDXUKYNAFP-IQIPOGNMSA-N 0 1 254.286 0.537 20 5 CCBDMN O=C(OCCOC1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000859719993 644726570 /nfs/dbraw/zinc/72/65/70/644726570.db2.gz FUDHKMKOAZICOZ-NXEZZACHSA-N 0 1 259.258 0.390 20 5 CCBDMN O=C(NC[C@H](O)c1cccc(F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000120572139 645370050 /nfs/dbraw/zinc/37/00/50/645370050.db2.gz SDMKGKNQGBQRSI-JTQLQIEISA-N 0 1 294.242 0.920 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1COCCN1 ZINC000877037875 646718928 /nfs/dbraw/zinc/71/89/28/646718928.db2.gz DELHSJXJMLFWHU-NSHDSACASA-N 0 1 293.323 0.930 20 5 CCBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1nnc[nH]1 ZINC000188123669 649341553 /nfs/dbraw/zinc/34/15/53/649341553.db2.gz JKAYXLGXIOYUCI-ZCFIWIBFSA-N 0 1 276.256 0.786 20 5 CCBDMN Cc1nc(N2C[C@@H]3OCCN(C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164671078 719472505 /nfs/dbraw/zinc/47/25/05/719472505.db2.gz ZLXKJAROGONFSH-QWRGUYRKSA-N 0 1 279.300 0.212 20 5 CCBDMN COC(=O)c1nc[n-]c(=O)c1O[C@@H](C)C[N+](C)(C)C ZINC001233757304 806116434 /nfs/dbraw/zinc/11/64/34/806116434.db2.gz BCVDTAAULTWJDC-QMMMGPOBSA-O 0 1 270.309 0.442 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C(=O)NC)C2)c1[N+](=O)[O-] ZINC001142620986 800138968 /nfs/dbraw/zinc/13/89/68/800138968.db2.gz VNVZMRRRQLEQSK-ZETCQYMHSA-N 0 1 295.299 0.088 20 5 CCBDMN CSCc1n[nH]c(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC001155651781 801031870 /nfs/dbraw/zinc/03/18/70/801031870.db2.gz PPNUOGLAGNZFRY-UHFFFAOYSA-N 0 1 296.312 0.834 20 5 CCBDMN CSCc1nnc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]1 ZINC001155651781 801031875 /nfs/dbraw/zinc/03/18/75/801031875.db2.gz PPNUOGLAGNZFRY-UHFFFAOYSA-N 0 1 296.312 0.834 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2cc([N+](=O)[O-])ccn2)S1 ZINC001155837096 801062405 /nfs/dbraw/zinc/06/24/05/801062405.db2.gz JJKAHEMWSGBEJM-ZETCQYMHSA-N 0 1 254.227 0.711 20 5 CCBDMN Cc1nc(CNCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])oc1C ZINC001157761058 801473742 /nfs/dbraw/zinc/47/37/42/801473742.db2.gz LQWKHMYXWIWSOO-GHMZBOCLSA-N 0 1 296.327 0.553 20 5 CCBDMN NCc1nnnn1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001158074452 801562701 /nfs/dbraw/zinc/56/27/01/801562701.db2.gz AWOBVBKKQCMCBY-UHFFFAOYSA-N 0 1 255.625 0.078 20 5 CCBDMN Cc1cc(Cl)nc(-n2nnnc2CN)c1[N+](=O)[O-] ZINC001158074493 801563350 /nfs/dbraw/zinc/56/33/50/801563350.db2.gz DFRYWVUHIHVGQB-UHFFFAOYSA-N 0 1 269.652 0.386 20 5 CCBDMN COc1cnc(NCC2CN(C)C2)c([N+](=O)[O-])c1 ZINC001159218475 801776383 /nfs/dbraw/zinc/77/63/83/801776383.db2.gz PMRZPLVOOWMTCG-UHFFFAOYSA-N 0 1 252.274 0.972 20 5 CCBDMN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncc([N+](=O)[O-])cc1N ZINC001159300060 801788053 /nfs/dbraw/zinc/78/80/53/801788053.db2.gz OCBSURZCOYUEEY-UHFFFAOYSA-N 0 1 278.272 0.273 20 5 CCBDMN O=C(Nc1nc2n(n1)CCCC2)c1n[nH]cc1[N+](=O)[O-] ZINC001161724188 802208580 /nfs/dbraw/zinc/20/85/80/802208580.db2.gz DSHHWXJFVDFUOX-UHFFFAOYSA-N 0 1 277.244 0.498 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(N2CC[C@@H](N3CC=CC3)C2)n1 ZINC001162631489 802380004 /nfs/dbraw/zinc/38/00/04/802380004.db2.gz JVRPZAGWRHJNPF-SNVBAGLBSA-N 0 1 263.301 0.779 20 5 CCBDMN O=[N+]([O-])c1cc(F)cnc1NC[C@H]1COCCN1 ZINC000401263268 803784482 /nfs/dbraw/zinc/78/44/82/803784482.db2.gz KRURJQDWAQYTEQ-QMMMGPOBSA-N 0 1 256.237 0.529 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1OC1CS(=O)(=O)C1 ZINC001225490654 805134871 /nfs/dbraw/zinc/13/48/71/805134871.db2.gz JHJRTSUGWKKZLP-UHFFFAOYSA-N 0 1 259.239 0.476 20 5 CCBDMN C[N@H+]1CCC[C@@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])CC1 ZINC001226330793 805217976 /nfs/dbraw/zinc/21/79/76/805217976.db2.gz CDZKJUIFXUBVBK-MRVPVSSYSA-N 0 1 268.273 0.954 20 5 CCBDMN O=[N+]([O-])c1cnc(O[C@@H]2CN3CCC2CC3)nc1 ZINC001226731224 805273294 /nfs/dbraw/zinc/27/32/94/805273294.db2.gz MJKUSUBCOFUODB-SNVBAGLBSA-N 0 1 250.258 0.858 20 5 CCBDMN CN1CC(Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228606965 805458553 /nfs/dbraw/zinc/45/85/53/805458553.db2.gz SXACPNRTMTXBOI-UHFFFAOYSA-N 0 1 266.257 0.661 20 5 CCBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NC1(CO)COC1)C2 ZINC001254574412 808260806 /nfs/dbraw/zinc/26/08/06/808260806.db2.gz GXWUPOSKFNPRKF-NSHDSACASA-N 0 1 264.281 0.413 20 5 CCBDMN CO[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001261748030 809076051 /nfs/dbraw/zinc/07/60/51/809076051.db2.gz FIODMMDBPBWQCF-APPZFPTMSA-N 0 1 284.272 0.099 20 5 CCBDMN Cc1nc(N[C@H](C)[C@H]2CN(C)CCN2C)ncc1[N+](=O)[O-] ZINC001262373218 809294079 /nfs/dbraw/zinc/29/40/79/809294079.db2.gz PQDYGFLYQHSUKH-ZYHUDNBSSA-N 0 1 294.359 0.739 20 5 CCBDMN CCc1cnc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001126932069 815308489 /nfs/dbraw/zinc/30/84/89/815308489.db2.gz HCPOTDVTXYAMFD-NXEZZACHSA-N 0 1 282.300 0.108 20 5 CCBDMN CCOCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001122966269 816814978 /nfs/dbraw/zinc/81/49/78/816814978.db2.gz QDHCXSQRKCDVFC-UHFFFAOYSA-N 0 1 281.312 0.837 20 5 CCBDMN CCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060730494 817154372 /nfs/dbraw/zinc/15/43/72/817154372.db2.gz NZEVTNGKJUVUKW-DDHJBXDOSA-N 0 1 297.355 0.853 20 5 CCBDMN COC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccsc1 ZINC001128369508 818207594 /nfs/dbraw/zinc/20/75/94/818207594.db2.gz BCWYCAFCGLSUTR-IWSPIJDZSA-N 0 1 284.293 0.744 20 5 CCBDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1c[nH]nc1[N+](=O)[O-] ZINC001117651645 818584923 /nfs/dbraw/zinc/58/49/23/818584923.db2.gz OHTVXNXAPBUTEM-ZCFIWIBFSA-N 0 1 276.256 0.328 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(N2CCCC2)C1 ZINC000827897519 821710669 /nfs/dbraw/zinc/71/06/69/821710669.db2.gz PGMNXZPHWCTPAH-UHFFFAOYSA-N 0 1 293.327 0.406 20 5 CCBDMN CCOC(=O)c1nnc(CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)o1 ZINC001168967359 836087927 /nfs/dbraw/zinc/08/79/27/836087927.db2.gz OZAWFMGNWWPXTI-BDAKNGLRSA-N 0 1 298.299 0.781 20 5 CCBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC(N3CC(F)C3)C2)C1 ZINC001169005981 836095430 /nfs/dbraw/zinc/09/54/30/836095430.db2.gz DUTREZXBLLYCQD-GXSJLCMTSA-N 0 1 257.309 0.770 20 5 CCBDMN CCOC(=O)c1noc(CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168988926 836102071 /nfs/dbraw/zinc/10/20/71/836102071.db2.gz VBPHYOSSEFJMOL-BDAKNGLRSA-N 0 1 298.299 0.781 20 5 CCBDMN COc1ccc([N+](=O)[O-])nc1-n1c(C)cnc1CN ZINC001169028104 836104990 /nfs/dbraw/zinc/10/49/90/836104990.db2.gz IDRIXIWZMFUCKX-UHFFFAOYSA-N 0 1 263.257 0.951 20 5 CCBDMN CS(=O)(=O)[C@@H]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037976 836111674 /nfs/dbraw/zinc/11/16/74/836111674.db2.gz UOHJAVVLEHROHY-OUAUKWLOSA-N 0 1 276.358 0.551 20 5 CCBDMN CS(=O)(=O)[C@@H]1CCCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169039953 836112502 /nfs/dbraw/zinc/11/25/02/836112502.db2.gz WGOGAAHCMLNIIS-SDDRHHMPSA-N 0 1 290.385 0.941 20 5 CCBDMN Cc1cnc(CN)n1-c1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001169020492 836115177 /nfs/dbraw/zinc/11/51/77/836115177.db2.gz MCVWKQANUPFXEA-UHFFFAOYSA-N 0 1 276.256 0.042 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CC[C@](O)(C(F)F)C2)n1 ZINC001170423827 837373321 /nfs/dbraw/zinc/37/33/21/837373321.db2.gz IVHOKMLFZCTSQT-SNVBAGLBSA-N 0 1 276.243 0.493 20 5 CCBDMN CO[C@@H]1COCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001159237021 839050001 /nfs/dbraw/zinc/05/00/01/839050001.db2.gz CILFZGQQMWZCQH-VXNVDRBHSA-N 0 1 284.272 0.099 20 5 CCBDMN CC[C@@](N)(CO)Nc1cccc2ncc([N+](=O)[O-])n21 ZINC001170866174 839464218 /nfs/dbraw/zinc/46/42/18/839464218.db2.gz OSJXZWYVEPHXOB-NSHDSACASA-N 0 1 265.273 0.712 20 5 CCBDMN Cc1nc(NCCNC(=O)c2ncn[nH]2)ccc1[N+](=O)[O-] ZINC001093793267 841458711 /nfs/dbraw/zinc/45/87/11/841458711.db2.gz KFBCJLVIZWBGME-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN Cc1nc(NCCNC(=O)c2nc[nH]n2)ccc1[N+](=O)[O-] ZINC001093793267 841458716 /nfs/dbraw/zinc/45/87/16/841458716.db2.gz KFBCJLVIZWBGME-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN O=C(NCCCNc1ncccc1[N+](=O)[O-])c1cnn[nH]1 ZINC001094881390 841865282 /nfs/dbraw/zinc/86/52/82/841865282.db2.gz IIHZOZLOMNAINY-UHFFFAOYSA-N 0 1 291.271 0.340 20 5 CCBDMN CCn1nnc(C)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC001178064455 842741996 /nfs/dbraw/zinc/74/19/96/842741996.db2.gz JYRWGXZUWGAEHJ-UHFFFAOYSA-N 0 1 279.304 0.501 20 5 CCBDMN CC(C)(O)[C@@H](O)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196909846 846819014 /nfs/dbraw/zinc/81/90/14/846819014.db2.gz WRPWWUPMOMKJOH-GXTWGEPZSA-N 0 1 298.339 0.524 20 5 CCBDMN CCC(=O)N1CCC(CC)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069057804 853942290 /nfs/dbraw/zinc/94/22/90/853942290.db2.gz NULDZFMGHSWHNX-GHMZBOCLSA-N 0 1 297.355 0.949 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1Cc1nc(C2(N)CCC2)no1 ZINC001118173422 856187393 /nfs/dbraw/zinc/18/73/93/856187393.db2.gz ZTWQTYQWBMMXQH-UHFFFAOYSA-N 0 1 278.272 0.869 20 5 CCBDMN C[NH2+][C@H](C)CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001118176938 856189109 /nfs/dbraw/zinc/18/91/09/856189109.db2.gz QLMHLIXGUPPEEI-MRVPVSSYSA-N 0 1 288.329 0.266 20 5 CCBDMN CSc1n[nH]c(NC(=O)c2c([N+](=O)[O-])cnn2C)n1 ZINC001324655878 912964294 /nfs/dbraw/zinc/96/42/94/912964294.db2.gz AMUAMMJUKHGQHD-UHFFFAOYSA-N 0 1 283.273 0.421 20 5 CCBDMN C[C@@H]1C[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)O1 ZINC001299455961 901007378 /nfs/dbraw/zinc/00/73/78/901007378.db2.gz JJUDFWCPMZTEOS-GJMOJQLCSA-N 0 1 268.273 0.861 20 5 CCBDMN CC(C)(C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)F ZINC001283004289 904667609 /nfs/dbraw/zinc/66/76/09/904667609.db2.gz BJEFKQKZAKYSQW-RNFRBKRXSA-N 0 1 293.270 0.175 20 5 CCBDMN CC(C)=CC(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001295997640 906835744 /nfs/dbraw/zinc/83/57/44/906835744.db2.gz HBMLKUKQDGAEEH-NXEZZACHSA-N 0 1 269.301 0.192 20 5 CCBDMN Cc1nn(C)c(C(=O)NCc2cnc[nH]2)c1[N+](=O)[O-] ZINC001319521937 910182312 /nfs/dbraw/zinc/18/23/12/910182312.db2.gz OWTZDVDLVUAKEJ-UHFFFAOYSA-N 0 1 264.245 0.290 20 5 CCBDMN Cn1cncc1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC001320419692 910670606 /nfs/dbraw/zinc/67/06/06/910670606.db2.gz AAFSUWHFMQWTBD-UHFFFAOYSA-N 0 1 264.245 0.024 20 5 CCBDMN Cn1c[nH+]cc1CCNC(=O)c1[n-]ncc1[N+](=O)[O-] ZINC001320419692 910670611 /nfs/dbraw/zinc/67/06/11/910670611.db2.gz AAFSUWHFMQWTBD-UHFFFAOYSA-N 0 1 264.245 0.024 20 5 CCBDMN Cc1nn(C)c(C(=O)N(C)Cc2nnc[nH]2)c1[N+](=O)[O-] ZINC001320977218 910976513 /nfs/dbraw/zinc/97/65/13/910976513.db2.gz JHWSDRFVFKGZML-UHFFFAOYSA-N 0 1 279.260 0.027 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1NCCN1CCN(C)CC1 ZINC001328504182 915238744 /nfs/dbraw/zinc/23/87/44/915238744.db2.gz MPZRRHGBQNAEGA-UHFFFAOYSA-N 0 1 279.344 0.379 20 5 CCBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(F)F ZINC001492945972 918911916 /nfs/dbraw/zinc/91/19/16/918911916.db2.gz PDYGHFOASFSJTQ-HTQZYQBOSA-N 0 1 293.270 0.272 20 5 CCBDMN Cc1cccc(C(=O)NCCNCC[N+](=O)[O-])c1 ZINC001336763792 920989820 /nfs/dbraw/zinc/98/98/20/920989820.db2.gz SEOAQICVTAJXFV-UHFFFAOYSA-N 0 1 251.286 0.591 20 5 CCBDMN COC[C@H]1CNCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001341641246 922597033 /nfs/dbraw/zinc/59/70/33/922597033.db2.gz WRORVZUVELDDEB-GFCCVEGCSA-N 0 1 297.286 0.794 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1CCn1ccnn1 ZINC001348548447 924723925 /nfs/dbraw/zinc/72/39/25/924723925.db2.gz XISAHAXYVGMTBC-IJLUTSLNSA-N 0 1 293.327 0.715 20 5 CCBDMN CC/C=C(/C)C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001358661374 926781681 /nfs/dbraw/zinc/78/16/81/926781681.db2.gz OUYBYXVSQAMTFL-MTUFZTHRSA-N 0 1 295.339 0.773 20 5 CCBDMN CCc1cc(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC001443801961 929706008 /nfs/dbraw/zinc/70/60/08/929706008.db2.gz IHGJVKYJKXBEKE-UHFFFAOYSA-N 0 1 290.283 0.788 20 5 CCBDMN Cc1cc(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC001443938815 929746264 /nfs/dbraw/zinc/74/62/64/929746264.db2.gz WPMARBGZQWYGHZ-UHFFFAOYSA-N 0 1 291.267 0.104 20 5 CCBDMN CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC001589740529 950582460 /nfs/dbraw/zinc/58/24/60/950582460.db2.gz QEKZMTAIIOBWCH-SSDOTTSWSA-N 0 1 256.262 0.623 20 5 CCBDMN COCC[N@@H+](C)CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162417434 959213843 /nfs/dbraw/zinc/21/38/43/959213843.db2.gz KQORBGLBPAUPAX-UHFFFAOYSA-N 0 1 298.299 0.678 20 5 CCBDMN C[N@H+]1CC[C@@](O)(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598585980 993383547 /nfs/dbraw/zinc/38/35/47/993383547.db2.gz MYWNNKAPIPPGGM-CYBMUJFWSA-N 0 1 295.295 0.772 20 5 CCBDMN C[C@H](O)C[N@@H+](CCO)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593460622 995376722 /nfs/dbraw/zinc/37/67/22/995376722.db2.gz YNTWBRVPXIGDHA-VIFPVBQESA-N 0 1 298.295 0.468 20 5 CCBDMN CC1([NH2+]Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)COC1 ZINC001594060305 997832707 /nfs/dbraw/zinc/83/27/07/997832707.db2.gz MVNPTKMXIWOQJZ-UHFFFAOYSA-N 0 1 296.279 0.937 20 5 CCBDMN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090518132 349437689 /nfs/dbraw/zinc/43/76/89/349437689.db2.gz CINYBNJJGFMIQA-SNVBAGLBSA-N 0 1 295.295 0.251 20 5 CCBDMN COCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090518955 349437839 /nfs/dbraw/zinc/43/78/39/349437839.db2.gz RERGDHJCERRDHM-UHFFFAOYSA-N 0 1 255.274 0.335 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCN(C)CC1 ZINC000091556119 349467721 /nfs/dbraw/zinc/46/77/21/349467721.db2.gz DYKHWJJOXRHFCF-UHFFFAOYSA-N 0 1 296.375 0.779 20 5 CCBDMN Cc1c(C(=O)NCCN2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000600526442 362003475 /nfs/dbraw/zinc/00/34/75/362003475.db2.gz ITHBKENVLPSXTK-LLVKDONJSA-N 0 1 293.323 0.700 20 5 CCBDMN O=C(N[C@H]1CO[C@H](C2CC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000600523214 362003354 /nfs/dbraw/zinc/00/33/54/362003354.db2.gz VFPNEECVTJKPTA-APPZFPTMSA-N 0 1 266.257 0.615 20 5 CCBDMN C[C@H]1CNCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000125963915 187208347 /nfs/dbraw/zinc/20/83/47/187208347.db2.gz JOOKHRJQJFPOTC-JTQLQIEISA-N 0 1 279.296 0.794 20 5 CCBDMN O=C(NCCN1CC[C@@H](O)C1)c1csc([N+](=O)[O-])c1 ZINC000600530705 362005457 /nfs/dbraw/zinc/00/54/57/362005457.db2.gz JBZCDQOEXIQCAT-SECBINFHSA-N 0 1 285.325 0.453 20 5 CCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CC[C@@H](O)C1 ZINC000600537340 362006802 /nfs/dbraw/zinc/00/68/02/362006802.db2.gz ZULAZQPLQNLKCY-LLVKDONJSA-N 0 1 293.323 0.700 20 5 CCBDMN O=C(NCCN1CC[C@H](O)C1)c1csc([N+](=O)[O-])c1 ZINC000600807591 362064626 /nfs/dbraw/zinc/06/46/26/362064626.db2.gz JBZCDQOEXIQCAT-VIFPVBQESA-N 0 1 285.325 0.453 20 5 CCBDMN CC(C)Oc1nc(NC[C@@H]2COCCN2)ccc1[N+](=O)[O-] ZINC000600953951 362099526 /nfs/dbraw/zinc/09/95/26/362099526.db2.gz HTUPQSRAJQNMBS-SNVBAGLBSA-N 0 1 296.327 0.599 20 5 CCBDMN CCOC1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000295060316 199324512 /nfs/dbraw/zinc/32/45/12/199324512.db2.gz YGMLARPQJKTYTN-UHFFFAOYSA-N 0 1 254.246 0.487 20 5 CCBDMN CN(C)C1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000601448483 362276981 /nfs/dbraw/zinc/27/69/81/362276981.db2.gz IOCMUVIWZSVMBQ-UHFFFAOYSA-N 0 1 299.352 0.967 20 5 CCBDMN Cn1cc(CN2CCc3cn[nH]c3C2)c([N+](=O)[O-])n1 ZINC000602472581 362635731 /nfs/dbraw/zinc/63/57/31/362635731.db2.gz OKZLVTSORXIEKO-UHFFFAOYSA-N 0 1 262.273 0.610 20 5 CCBDMN CCN1CCN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1C ZINC000602478002 362637523 /nfs/dbraw/zinc/63/75/23/362637523.db2.gz ZLTCRFAMDRSPLK-JTQLQIEISA-N 0 1 267.333 0.854 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000339204063 215011795 /nfs/dbraw/zinc/01/17/95/215011795.db2.gz YDAJQZVLAINFFS-GHMZBOCLSA-N 0 1 282.296 0.618 20 5 CCBDMN CN(C)c1nccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000343037363 137111627 /nfs/dbraw/zinc/11/16/27/137111627.db2.gz IYNROIGUYVIAEE-UHFFFAOYSA-N 0 1 291.271 0.104 20 5 CCBDMN O=C(NCCCOC[C@@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC000343717499 137152228 /nfs/dbraw/zinc/15/22/28/137152228.db2.gz GEWVZYXBDBLUTD-VIFPVBQESA-N 0 1 298.299 0.491 20 5 CCBDMN COc1ccc(CNCC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000036782519 348170115 /nfs/dbraw/zinc/17/01/15/348170115.db2.gz PQGZKCFRTZUCMK-UHFFFAOYSA-N 0 1 279.296 0.972 20 5 CCBDMN CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602903013 362877003 /nfs/dbraw/zinc/87/70/03/362877003.db2.gz HOHHIVQNSDGSIR-ZDUSSCGKSA-N 0 1 295.339 0.582 20 5 CCBDMN CNC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000346839302 137307486 /nfs/dbraw/zinc/30/74/86/137307486.db2.gz QZBAMGKUECPCLF-ZCFIWIBFSA-N 0 1 291.267 0.335 20 5 CCBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000347627232 137346126 /nfs/dbraw/zinc/34/61/26/137346126.db2.gz ZKRVDGJIIVPDMS-MRVPVSSYSA-N 0 1 264.285 0.889 20 5 CCBDMN CN1CCN(C)[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000068806447 348822502 /nfs/dbraw/zinc/82/25/02/348822502.db2.gz JMGHJRCOEAJUAE-SNVBAGLBSA-N 0 1 265.317 0.648 20 5 CCBDMN COC1CCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000079670611 349186802 /nfs/dbraw/zinc/18/68/02/349186802.db2.gz SSGYMCQPSUNZEZ-UHFFFAOYSA-N 0 1 296.327 0.764 20 5 CCBDMN C[C@@H](C[S@@](C)=O)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000273487438 192171216 /nfs/dbraw/zinc/17/12/16/192171216.db2.gz MCVUZYWIBMFOMM-ZDVLTJLQSA-N 0 1 286.309 0.797 20 5 CCBDMN C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(CO)CO ZINC000135931796 350410080 /nfs/dbraw/zinc/41/00/80/350410080.db2.gz FIGAKRUUVNQYDT-UHFFFAOYSA-N 0 1 298.339 0.896 20 5 CCBDMN COC(=O)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)C ZINC000153074465 350552243 /nfs/dbraw/zinc/55/22/43/350552243.db2.gz XUBDURJCIIXIBX-MRVPVSSYSA-N 0 1 284.272 0.635 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000171662206 350925542 /nfs/dbraw/zinc/92/55/42/350925542.db2.gz NBCNNWNFIZDEFV-UHFFFAOYSA-N 0 1 281.316 0.658 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1nnc[nH]1 ZINC000354178612 137562811 /nfs/dbraw/zinc/56/28/11/137562811.db2.gz GMIYIKGIRJZIKW-UHFFFAOYSA-N 0 1 262.229 0.346 20 5 CCBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1nnc[nH]1 ZINC000227766249 352058810 /nfs/dbraw/zinc/05/88/10/352058810.db2.gz WPQWRYNGRVPMEU-RXMQYKEDSA-N 0 1 250.218 0.532 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2COCCN2)c1 ZINC000235908002 352189059 /nfs/dbraw/zinc/18/90/59/352189059.db2.gz DAQHJGRIPQQDQV-SNVBAGLBSA-N 0 1 279.296 0.621 20 5 CCBDMN Cc1nc(NC[C@@H]2COCCN2)ccc1[N+](=O)[O-] ZINC000235951049 352190217 /nfs/dbraw/zinc/19/02/17/352190217.db2.gz MOQHKYHKFAKFON-SECBINFHSA-N 0 1 252.274 0.699 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1ccc(F)cc1[N+](=O)[O-] ZINC000236284734 352193162 /nfs/dbraw/zinc/19/31/62/352193162.db2.gz ZCPYGBKEHGBLKX-VIFPVBQESA-N 0 1 283.259 0.452 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1csc([N+](=O)[O-])c1 ZINC000236409118 352194453 /nfs/dbraw/zinc/19/44/53/352194453.db2.gz ZGZLYGWHJZIODD-QMMMGPOBSA-N 0 1 271.298 0.375 20 5 CCBDMN C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000267265754 352755632 /nfs/dbraw/zinc/75/56/32/352755632.db2.gz URMAEDXYEXPKGY-QMMMGPOBSA-N 0 1 282.300 0.765 20 5 CCBDMN O=C(NCC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000573919204 334977185 /nfs/dbraw/zinc/97/71/85/334977185.db2.gz CRHJKDCUVMNMEW-MRVPVSSYSA-N 0 1 280.284 0.567 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](CC)[C@H](O)C2)c1[N+](=O)[O-] ZINC000270548027 352947091 /nfs/dbraw/zinc/94/70/91/352947091.db2.gz IMENYPRRPJHDIB-VXNVDRBHSA-N 0 1 282.300 0.723 20 5 CCBDMN COC(=O)N1CC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272700821 353087134 /nfs/dbraw/zinc/08/71/34/353087134.db2.gz UIJFHYZSIREMCB-UHFFFAOYSA-N 0 1 295.251 0.481 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC000152775962 188042676 /nfs/dbraw/zinc/04/26/76/188042676.db2.gz IKEOHUUZBPIQHE-IUCAKERBSA-N 0 1 297.315 0.157 20 5 CCBDMN O=C(NC1(c2nnc[nH]2)CCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286481472 353589810 /nfs/dbraw/zinc/58/98/10/353589810.db2.gz LROJJERWTSJOKT-UHFFFAOYSA-N 0 1 277.244 0.245 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2nnc[nH]2)n1 ZINC000287412070 353644733 /nfs/dbraw/zinc/64/47/33/353644733.db2.gz SVGFJAZYRHKOLF-UHFFFAOYSA-N 0 1 292.255 0.531 20 5 CCBDMN CCc1nc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000295435696 353893776 /nfs/dbraw/zinc/89/37/76/353893776.db2.gz VEDUPXZCESHWKN-UHFFFAOYSA-N 0 1 290.283 0.788 20 5 CCBDMN CCC[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])OC ZINC000295549169 353902206 /nfs/dbraw/zinc/90/22/06/353902206.db2.gz YLRIJUWEDFJHBI-ZETCQYMHSA-N 0 1 256.262 0.863 20 5 CCBDMN CN1CC[N@@H+](C)C[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000313091364 354212247 /nfs/dbraw/zinc/21/22/47/354212247.db2.gz YBIXBLCWPARVGK-VIFPVBQESA-N 0 1 280.332 0.230 20 5 CCBDMN O=C1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCN1 ZINC000330433984 354356702 /nfs/dbraw/zinc/35/67/02/354356702.db2.gz POVZAKPRAHBBDB-UHFFFAOYSA-N 0 1 251.242 0.232 20 5 CCBDMN C[C@H]1N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1(C)C ZINC000331056520 354432096 /nfs/dbraw/zinc/43/20/96/354432096.db2.gz PYGKJCXNONHITK-ZYHUDNBSSA-N 0 1 298.343 0.652 20 5 CCBDMN Cc1noc([C@@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000331370902 354554710 /nfs/dbraw/zinc/55/47/10/354554710.db2.gz AUCUJXGKFOBCPV-SNVBAGLBSA-N 0 1 292.299 0.972 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](CCO)C2)c1[N+](=O)[O-] ZINC000332681928 354719703 /nfs/dbraw/zinc/71/97/03/354719703.db2.gz TVPXPYGOLVCWHK-MRVPVSSYSA-N 0 1 268.273 0.471 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)Cc2ncc[nH]2)c1[N+](=O)[O-] ZINC000341589214 355699428 /nfs/dbraw/zinc/69/94/28/355699428.db2.gz KIDHBUVYTDAEPG-UHFFFAOYSA-N 0 1 278.272 0.876 20 5 CCBDMN CCc1nc([C@@H](C)Nc2ncc([N+](=O)[O-])c(N)n2)n[nH]1 ZINC000342799120 355749763 /nfs/dbraw/zinc/74/97/63/355749763.db2.gz ZXHFRZMSZYCOGR-RXMQYKEDSA-N 0 1 278.276 0.651 20 5 CCBDMN CC[C@H]1CN(C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000558984918 291075627 /nfs/dbraw/zinc/07/56/27/291075627.db2.gz JSQRGGDRQOGSBM-VIFPVBQESA-N 0 1 251.290 0.915 20 5 CCBDMN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1nn[nH]n1 ZINC000360746672 138008959 /nfs/dbraw/zinc/00/89/59/138008959.db2.gz PQFWOIZGLOIYKL-ZCFIWIBFSA-N 0 1 294.275 0.113 20 5 CCBDMN CN(CCc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000361378101 138033203 /nfs/dbraw/zinc/03/32/03/138033203.db2.gz QIOJULHMKFGUSL-CHWSQXEVSA-N 0 1 266.297 0.829 20 5 CCBDMN Cc1cc(C(=O)Nc2nn[nH]c2C(N)=O)ccc1[N+](=O)[O-] ZINC000362412493 138058660 /nfs/dbraw/zinc/05/86/60/138058660.db2.gz STAPDMLFAXOHFH-UHFFFAOYSA-N 0 1 290.239 0.373 20 5 CCBDMN COc1ccc([N+](=O)[O-])c(C(=O)NCCc2nc[nH]n2)c1 ZINC000359755842 356885818 /nfs/dbraw/zinc/88/58/18/356885818.db2.gz PIMOJLCFADDCDO-UHFFFAOYSA-N 0 1 291.267 0.694 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]nnc2C1 ZINC000359572314 356847563 /nfs/dbraw/zinc/84/75/63/356847563.db2.gz ARNJVNGAKDZHJA-UHFFFAOYSA-N 0 1 288.267 0.615 20 5 CCBDMN O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000365280300 357140338 /nfs/dbraw/zinc/14/03/38/357140338.db2.gz UOKNTQDDTQUFST-NQMVMOMDSA-N 0 1 250.258 0.048 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408130591 357930476 /nfs/dbraw/zinc/93/04/76/357930476.db2.gz VTERLYMJICLVBC-PSASIEDQSA-N 0 1 295.343 0.849 20 5 CCBDMN O=C(NC[C@H]1CCCCN1CCO)c1cc([N+](=O)[O-])c[nH]1 ZINC000452795202 236261962 /nfs/dbraw/zinc/26/19/62/236261962.db2.gz JJHQRRVCIXHHMD-SNVBAGLBSA-N 0 1 296.327 0.500 20 5 CCBDMN NC(=O)C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000588803684 359338783 /nfs/dbraw/zinc/33/87/83/359338783.db2.gz TUVKOWKTZMGGAE-MRVPVSSYSA-N 0 1 293.279 0.638 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000591784723 359658621 /nfs/dbraw/zinc/65/86/21/359658621.db2.gz JGWDRMJXDTUZBG-AWFVSMACSA-N 0 1 282.178 0.359 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H](C)[NH2+]1 ZINC000563101025 291193085 /nfs/dbraw/zinc/19/30/85/291193085.db2.gz OOZQOHRPHFYXLT-HTQZYQBOSA-N 0 1 280.284 0.518 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592247883 359805329 /nfs/dbraw/zinc/80/53/29/359805329.db2.gz PSNKCUXEKNVJAE-LDYMZIIASA-N 0 1 292.295 0.519 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[NH2+]CC1 ZINC000592286892 359811370 /nfs/dbraw/zinc/81/13/70/359811370.db2.gz FLPLSRPJKWLGRR-UHFFFAOYSA-N 0 1 266.257 0.131 20 5 CCBDMN C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H](C)N1 ZINC000592297010 359813356 /nfs/dbraw/zinc/81/33/56/359813356.db2.gz BKOUIEBKLUXWIM-YUMQZZPRSA-N 0 1 267.289 0.151 20 5 CCBDMN CN(CCC[NH3+])C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592298053 359813387 /nfs/dbraw/zinc/81/33/87/359813387.db2.gz DIDHEHVTWFPTLO-UHFFFAOYSA-N 0 1 254.246 0.116 20 5 CCBDMN CCNC(=O)CN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611262373 363699419 /nfs/dbraw/zinc/69/94/19/363699419.db2.gz PMEPMEHAAYEZIF-UHFFFAOYSA-N 0 1 267.285 0.868 20 5 CCBDMN CC[C@H](C)C[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592873184 359967349 /nfs/dbraw/zinc/96/73/49/359967349.db2.gz MZDIAMUYJUTNSU-JGVFFNPUSA-N 0 1 270.289 0.845 20 5 CCBDMN C[C@H](CCO)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593108598 360041126 /nfs/dbraw/zinc/04/11/26/360041126.db2.gz YVLHIBKIMKBDSH-SECBINFHSA-N 0 1 281.312 0.896 20 5 CCBDMN Nc1c(F)c(N2CCN3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594604508 360338738 /nfs/dbraw/zinc/33/87/38/360338738.db2.gz WXLCTCHAUMYULI-DTWKUNHWSA-N 0 1 296.302 0.571 20 5 CCBDMN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594759503 360376847 /nfs/dbraw/zinc/37/68/47/360376847.db2.gz OLSAAXXBCZTIGF-YUMQZZPRSA-N 0 1 289.313 0.285 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCSC1 ZINC000594757015 360377354 /nfs/dbraw/zinc/37/73/54/360377354.db2.gz GIHKNSXOWFSITA-ZETCQYMHSA-N 0 1 289.338 0.774 20 5 CCBDMN CC[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])[C@@H](C)O ZINC000594779563 360381903 /nfs/dbraw/zinc/38/19/03/360381903.db2.gz VFSBBTVNPDTZDK-HTQZYQBOSA-N 0 1 289.313 0.428 20 5 CCBDMN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cscn1 ZINC000595667610 360614920 /nfs/dbraw/zinc/61/49/20/360614920.db2.gz HOFFAMVQPJLTLH-WPRPVWTQSA-N 0 1 297.340 0.960 20 5 CCBDMN NC(=O)c1ccc(CN2CCC3(COC3)C2)c([N+](=O)[O-])c1 ZINC000595833501 360671825 /nfs/dbraw/zinc/67/18/25/360671825.db2.gz LHMNGEZAPBYGAN-UHFFFAOYSA-N 0 1 291.307 0.916 20 5 CCBDMN O=C(NCC12CC(C1)C[NH2+]2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000595947412 360725189 /nfs/dbraw/zinc/72/51/89/360725189.db2.gz OBXKTBNTRQBKJM-UHFFFAOYSA-N 0 1 278.268 0.177 20 5 CCBDMN C[C@@H](O)CN1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596110226 360797217 /nfs/dbraw/zinc/79/72/17/360797217.db2.gz KIALUGPNFRGHDZ-SECBINFHSA-N 0 1 281.316 0.075 20 5 CCBDMN CC(C)(CO)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596127811 360804941 /nfs/dbraw/zinc/80/49/41/360804941.db2.gz BKYNECWCTSGEMB-UHFFFAOYSA-N 0 1 296.327 0.588 20 5 CCBDMN CCc1[nH]nc(C(=O)N2Cc3c[nH]nc3C2)c1[N+](=O)[O-] ZINC000597680788 361190791 /nfs/dbraw/zinc/19/07/91/361190791.db2.gz RXHKXAPIOSFMLK-UHFFFAOYSA-N 0 1 276.256 0.759 20 5 CCBDMN CCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@H]1CCN(C)C1 ZINC000597945556 361288977 /nfs/dbraw/zinc/28/89/77/361288977.db2.gz ICGZIRBFTUWFRZ-JTQLQIEISA-N 0 1 295.343 0.803 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](O)C(F)(F)C2)c1[N+](=O)[O-] ZINC000597999726 361305694 /nfs/dbraw/zinc/30/56/94/361305694.db2.gz HCPRBIQFBYNRBZ-ZCFIWIBFSA-N 0 1 290.226 0.468 20 5 CCBDMN Cc1ccnc(NCCCc2nc(=O)[nH][nH]2)c1[N+](=O)[O-] ZINC000301575997 201077491 /nfs/dbraw/zinc/07/74/91/201077491.db2.gz YSKSIYLSAVUIEC-UHFFFAOYSA-N 0 1 278.272 0.754 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nccn1C ZINC000598465312 361424408 /nfs/dbraw/zinc/42/44/08/361424408.db2.gz PRAMNEQQHNNCFG-ZCFIWIBFSA-N 0 1 264.245 0.542 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2n[nH]c(=O)o2)n1 ZINC000598744000 361506292 /nfs/dbraw/zinc/50/62/92/361506292.db2.gz FHECFSCYRYLTTF-UHFFFAOYSA-N 0 1 296.243 0.172 20 5 CCBDMN O=[N+]([O-])c1cc(CNCC[N@H+]2CC[C@@H](O)C2)cs1 ZINC000599007129 361553146 /nfs/dbraw/zinc/55/31/46/361553146.db2.gz BEYYPHNOPPVUMR-SNVBAGLBSA-N 0 1 271.342 0.813 20 5 CCBDMN CS[C@H](C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599266673 361627383 /nfs/dbraw/zinc/62/73/83/361627383.db2.gz PAYQGALZEBKBDR-ZCFIWIBFSA-N 0 1 294.358 0.358 20 5 CCBDMN C[C@@H]1C[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599302083 361643365 /nfs/dbraw/zinc/64/33/65/361643365.db2.gz DKWWPGILFOUUQI-PHDIDXHHSA-N 0 1 260.275 0.015 20 5 CCBDMN C/C=C/CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599475641 361714626 /nfs/dbraw/zinc/71/46/26/361714626.db2.gz VHHKRLKYQUSMBR-ONEGZZNKSA-N 0 1 260.275 0.183 20 5 CCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(CO)C1 ZINC000612421054 363912787 /nfs/dbraw/zinc/91/27/87/363912787.db2.gz ZJKYKKQZISVATA-UHFFFAOYSA-N 0 1 276.252 0.535 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)C2O ZINC000363648081 296073730 /nfs/dbraw/zinc/07/37/30/296073730.db2.gz FQLGSBWLIXTHOJ-SJWJCTCFSA-N 0 1 254.286 0.271 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000330786821 203234805 /nfs/dbraw/zinc/23/48/05/203234805.db2.gz WDRXIKCGAKATLR-JGVFFNPUSA-N 0 1 268.273 0.863 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2C[C@@H](O)[C@H](CO)C2)c1 ZINC000459685989 249053400 /nfs/dbraw/zinc/05/34/00/249053400.db2.gz GTQUTIJFHFAFHX-GXFFZTMASA-N 0 1 282.296 0.259 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H](CO)[C@H](O)C1 ZINC000516494738 249168115 /nfs/dbraw/zinc/16/81/15/249168115.db2.gz PCNXSZOBKPODJE-TVQRCGJNSA-N 0 1 282.296 0.476 20 5 CCBDMN C[C@H]1OCC[C@@]1(O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000279639845 194508200 /nfs/dbraw/zinc/50/82/00/194508200.db2.gz YYLDEPZOMRQUGI-AMIZOPFISA-N 0 1 296.279 0.570 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H](CO)C1 ZINC000330601758 285136738 /nfs/dbraw/zinc/13/67/38/285136738.db2.gz DQAODKIYIPAGRS-LLVKDONJSA-N 0 1 268.269 0.494 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC(=O)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000296159892 285162888 /nfs/dbraw/zinc/16/28/88/285162888.db2.gz NBVQMJCANKMVPE-ZETCQYMHSA-N 0 1 295.299 0.231 20 5 CCBDMN CN(C)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185760539 388814791 /nfs/dbraw/zinc/81/47/91/388814791.db2.gz YNWROUNHRYQGMO-NSHDSACASA-N 0 1 299.352 0.919 20 5 CCBDMN COc1ccc(CN[C@H](C)C(N)=O)cc1[N+](=O)[O-] ZINC000035794710 388837486 /nfs/dbraw/zinc/83/74/86/388837486.db2.gz LTHDMJLOANCXDV-SSDOTTSWSA-N 0 1 253.258 0.567 20 5 CCBDMN COC[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000083395047 389001976 /nfs/dbraw/zinc/00/19/76/389001976.db2.gz OBVGQPNZVNXMEO-VIFPVBQESA-N 0 1 253.258 0.185 20 5 CCBDMN C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000355669219 389109636 /nfs/dbraw/zinc/10/96/36/389109636.db2.gz SHNYDLVGFCRIOZ-SSDOTTSWSA-N 0 1 279.260 0.177 20 5 CCBDMN Cc1cc(N2C[C@@H](O)[C@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000235973391 389166990 /nfs/dbraw/zinc/16/69/90/389166990.db2.gz HZIWZEHXKNDVPU-ZIAGYGMSSA-N 0 1 289.291 0.993 20 5 CCBDMN C[C@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCO1 ZINC000153478176 389301683 /nfs/dbraw/zinc/30/16/83/389301683.db2.gz DTCLTGZEMBABFR-SNVBAGLBSA-N 0 1 254.246 0.617 20 5 CCBDMN CN1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1=O ZINC000369336725 389394545 /nfs/dbraw/zinc/39/45/45/389394545.db2.gz XYXYTCNQSPVMPX-NXEZZACHSA-N 0 1 281.312 0.123 20 5 CCBDMN CN(CCCO)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000282021960 389647126 /nfs/dbraw/zinc/64/71/26/389647126.db2.gz UMXPFINTLNCMMH-UHFFFAOYSA-N 0 1 254.242 0.755 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H](c2ccco2)C1 ZINC000374528768 389586093 /nfs/dbraw/zinc/58/60/93/389586093.db2.gz DPLVHFMQCKQBTD-KKZNHRDASA-N 0 1 266.253 0.845 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000351913619 389712906 /nfs/dbraw/zinc/71/29/06/389712906.db2.gz UVONGIOXVHFIDY-CBAPKCEASA-N 0 1 282.300 0.723 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(=O)N(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000282049502 389651065 /nfs/dbraw/zinc/65/10/65/389651065.db2.gz AOWZOCJWFMMVGZ-SSDOTTSWSA-N 0 1 295.299 0.183 20 5 CCBDMN C[N@@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000351975802 389728201 /nfs/dbraw/zinc/72/82/01/389728201.db2.gz OYMYYEJZJHDLQI-UHFFFAOYSA-N 0 1 291.311 0.564 20 5 CCBDMN CC[C@@H]1COCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000408175682 389831677 /nfs/dbraw/zinc/83/16/77/389831677.db2.gz XFYIFIHFXZJBIL-MRVPVSSYSA-N 0 1 268.273 0.877 20 5 CCBDMN C[C@H]1OCC[C@]1(C)NCc1c([N+](=O)[O-])ncn1C ZINC000494251789 390160534 /nfs/dbraw/zinc/16/05/34/390160534.db2.gz STZCLADTPAHHHO-KCJUWKMLSA-N 0 1 254.290 0.985 20 5 CCBDMN COC(=O)[C@@H](C)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000281731325 195356244 /nfs/dbraw/zinc/35/62/44/195356244.db2.gz IVDCTAPZGLAHDV-SSDOTTSWSA-N 0 1 282.252 0.934 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](O)C3(CC3)C2)c1[N+](=O)[O-] ZINC000547981879 390412393 /nfs/dbraw/zinc/41/23/93/390412393.db2.gz BJVOJBKGQOGOKZ-ZETCQYMHSA-N 0 1 266.257 0.223 20 5 CCBDMN CC[C@@H]1CN(C)CCN1c1c([N+](=O)[O-])ncn1C ZINC000521915340 390613763 /nfs/dbraw/zinc/61/37/63/390613763.db2.gz SLXOYKRNSTTYHZ-SECBINFHSA-N 0 1 253.306 0.859 20 5 CCBDMN CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000341780262 130042062 /nfs/dbraw/zinc/04/20/62/130042062.db2.gz OBSNGTBSTMPXPZ-SNVBAGLBSA-N 0 1 281.316 0.344 20 5 CCBDMN C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CC1 ZINC000341961468 130175994 /nfs/dbraw/zinc/17/59/94/130175994.db2.gz DQRRHDYZTNHIDE-LLVKDONJSA-N 0 1 294.311 0.765 20 5 CCBDMN COc1ccc(CNC(=O)c2cnn[nH]2)cc1[N+](=O)[O-] ZINC000342166518 130356462 /nfs/dbraw/zinc/35/64/62/130356462.db2.gz ZDARCEKLIUHKCT-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN Cc1nn(C)c(C(=O)N2CCN[C@@H](C)C2)c1[N+](=O)[O-] ZINC000237636311 131050021 /nfs/dbraw/zinc/05/00/21/131050021.db2.gz KUIWHSJCQKQFFS-ZETCQYMHSA-N 0 1 267.289 0.071 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCO[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000268931945 132089729 /nfs/dbraw/zinc/08/97/29/132089729.db2.gz ZVNNNYXOZYPUBF-HTQZYQBOSA-N 0 1 268.273 0.876 20 5 CCBDMN COCC[N@@H+](C)CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269215407 132133484 /nfs/dbraw/zinc/13/34/84/132133484.db2.gz XTQSNVYVTBLCGP-UHFFFAOYSA-N 0 1 297.311 0.608 20 5 CCBDMN O=C(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)N1CCCC1 ZINC000356510834 144009147 /nfs/dbraw/zinc/00/91/47/144009147.db2.gz JNUDQICMALDFCB-UHFFFAOYSA-N 0 1 293.279 0.653 20 5 CCBDMN Cc1cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])nn2C)n[nH]1 ZINC000356745029 144029135 /nfs/dbraw/zinc/02/91/35/144029135.db2.gz XFWZARNRZFVDTA-ZETCQYMHSA-N 0 1 292.299 0.721 20 5 CCBDMN O=C(NCC1(CO)COC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356786758 144033713 /nfs/dbraw/zinc/03/37/13/144033713.db2.gz VUGYITAEJFRIBI-UHFFFAOYSA-N 0 1 282.252 0.039 20 5 CCBDMN Cc1ccc(C(=O)NCc2nn[nH]n2)cc1[N+](=O)[O-] ZINC000044929516 411633390 /nfs/dbraw/zinc/63/33/90/411633390.db2.gz QUTLEBIHZGAMHR-UHFFFAOYSA-N 0 1 262.229 0.346 20 5 CCBDMN C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000178913983 265700837 /nfs/dbraw/zinc/70/08/37/265700837.db2.gz GXEGHXGNHLUWNP-UHFFFAOYSA-N 0 1 254.242 0.990 20 5 CCBDMN C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C(=O)[O-] ZINC000424265780 533689172 /nfs/dbraw/zinc/68/91/72/533689172.db2.gz IJRLGBRJBRRQSF-KOLCDFICSA-N 0 1 282.300 0.976 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CCNC(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000269505501 276040789 /nfs/dbraw/zinc/04/07/89/276040789.db2.gz ZTZGKEKMEZEBOC-ZETCQYMHSA-N 0 1 295.299 0.402 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCn3cncc3C2)c1[N+](=O)[O-] ZINC000291161433 280188920 /nfs/dbraw/zinc/18/89/20/280188920.db2.gz QUXGNRVCYKPLDI-UHFFFAOYSA-N 0 1 276.256 0.479 20 5 CCBDMN C[C@H](O)CN1CCN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000277878761 290117434 /nfs/dbraw/zinc/11/74/34/290117434.db2.gz VUZMJORATGHSSP-UWVGGRQHSA-N 0 1 283.332 0.220 20 5 CCBDMN C[N@@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C[C@H]2C1 ZINC000192503742 290287768 /nfs/dbraw/zinc/28/77/68/290287768.db2.gz ROSMXMKYDKFTKA-AOOOYVTPSA-N 0 1 291.307 0.934 20 5 CCBDMN Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000282369132 294318668 /nfs/dbraw/zinc/31/86/68/294318668.db2.gz BXDCLJYJFQJXLV-QMMMGPOBSA-N 0 1 290.283 0.859 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000578130331 335511027 /nfs/dbraw/zinc/51/10/27/335511027.db2.gz DZDIRFVNMJEZFS-GZMMTYOYSA-N 0 1 292.295 0.519 20 5 CCBDMN COc1cc([C@@H]2NC(=O)CN2C)cc([N+](=O)[O-])c1O ZINC000339967365 522929298 /nfs/dbraw/zinc/92/92/98/522929298.db2.gz XMTMVUBUUNIDKQ-LLVKDONJSA-N 0 1 267.241 0.369 20 5 CCBDMN COC(=O)[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000353423724 523748957 /nfs/dbraw/zinc/74/89/57/523748957.db2.gz SDJMGKDQRQOZGP-LBPRGKRZSA-N 0 1 296.279 0.674 20 5 CCBDMN CCN1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000452950530 527988328 /nfs/dbraw/zinc/98/83/28/527988328.db2.gz KSNHGAOPVFAEAS-SECBINFHSA-N 0 1 293.279 0.651 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3C[C@]3(CO)C2)c1[N+](=O)[O-] ZINC000783935518 581368021 /nfs/dbraw/zinc/36/80/21/581368021.db2.gz BDDGXSMBDICLRH-JVXZTZIISA-N 0 1 280.284 0.335 20 5 CCBDMN O=C(NOCC(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000764755480 582067352 /nfs/dbraw/zinc/06/73/52/582067352.db2.gz WXDGPSGMRNXZHN-UHFFFAOYSA-N 0 1 254.124 0.542 20 5 CCBDMN O=C(NOCCO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000776584056 582081119 /nfs/dbraw/zinc/08/11/19/582081119.db2.gz JLJMFYPNNPXGEE-UHFFFAOYSA-N 0 1 266.213 0.125 20 5 CCBDMN O=C([O-])C[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000819385234 597048453 /nfs/dbraw/zinc/04/84/53/597048453.db2.gz ICFAIPTVEXWKGB-VIFPVBQESA-N 0 1 268.273 0.936 20 5 CCBDMN O=C([O-])C[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000819385234 597048455 /nfs/dbraw/zinc/04/84/55/597048455.db2.gz ICFAIPTVEXWKGB-VIFPVBQESA-N 0 1 268.273 0.936 20 5 CCBDMN O=C([O-])[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000062133983 597534910 /nfs/dbraw/zinc/53/49/10/597534910.db2.gz NQFCJADOLCQMON-SECBINFHSA-N 0 1 293.279 0.940 20 5 CCBDMN O=C([O-])[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000062133983 597534911 /nfs/dbraw/zinc/53/49/11/597534911.db2.gz NQFCJADOLCQMON-SECBINFHSA-N 0 1 293.279 0.940 20 5 CCBDMN O=C([O-])NC[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000832595966 603707373 /nfs/dbraw/zinc/70/73/73/603707373.db2.gz RZNJNEIBARAKIC-SECBINFHSA-N 0 1 283.288 0.381 20 5 CCBDMN CC(C)(CCc1noc([C@@H]2CNCCO2)n1)[N+](=O)[O-] ZINC000843233074 614087001 /nfs/dbraw/zinc/08/70/01/614087001.db2.gz HYRYBVNYJVVMCS-QMMMGPOBSA-N 0 1 270.289 0.718 20 5 CCBDMN CC(C)C[C@H](CCO)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839697516 614213832 /nfs/dbraw/zinc/21/38/32/614213832.db2.gz ZYSGBXBONASAJR-HBNTYKKESA-N 0 1 258.318 0.813 20 5 CCBDMN COc1ccc(C(=O)NCCNCC[N+](=O)[O-])cc1 ZINC000905055975 617228919 /nfs/dbraw/zinc/22/89/19/617228919.db2.gz VBNAHRWNVVVFMT-UHFFFAOYSA-N 0 1 267.285 0.291 20 5 CCBDMN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839702574 614004765 /nfs/dbraw/zinc/00/47/65/614004765.db2.gz YLBSLAPXBLERNS-IVZWLZJFSA-N 0 1 284.312 0.842 20 5 CCBDMN CC(C)=CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976484494 614282099 /nfs/dbraw/zinc/28/20/99/614282099.db2.gz RWSLUNPUOHIWAZ-HMUNZLOLSA-N 0 1 293.323 0.191 20 5 CCBDMN CCCN(CCC)C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671937 614576373 /nfs/dbraw/zinc/57/63/73/614576373.db2.gz HNKKGIAYIGRKHG-NXEZZACHSA-N 0 1 272.301 0.843 20 5 CCBDMN CCOC(=O)[C@@]1(COC)CCCN(CC[N+](=O)[O-])C1 ZINC000930313795 615331480 /nfs/dbraw/zinc/33/14/80/615331480.db2.gz GBANBVZUTATMBR-LBPRGKRZSA-N 0 1 274.317 0.555 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC(C)(C)OC1=O ZINC000839778891 615867379 /nfs/dbraw/zinc/86/73/79/615867379.db2.gz JKOPHNYPGCWHIZ-PRJMDXOYSA-N 0 1 256.258 0.204 20 5 CCBDMN C[NH+](C)CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825870635 615904854 /nfs/dbraw/zinc/90/48/54/615904854.db2.gz WAYFBUNMUNRHTL-UHFFFAOYSA-N 0 1 278.276 0.143 20 5 CCBDMN C[NH+](C)CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825870635 615904857 /nfs/dbraw/zinc/90/48/57/615904857.db2.gz WAYFBUNMUNRHTL-UHFFFAOYSA-N 0 1 278.276 0.143 20 5 CCBDMN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839701694 616017811 /nfs/dbraw/zinc/01/78/11/616017811.db2.gz PVYKQWTWZUIFRL-YYZXAGPNSA-N 0 1 288.369 0.848 20 5 CCBDMN CN(C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000828223303 616137379 /nfs/dbraw/zinc/13/73/79/616137379.db2.gz LCJFXYYENBCSLX-JTQLQIEISA-N 0 1 297.315 0.866 20 5 CCBDMN CN1CCC[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825732468 616207716 /nfs/dbraw/zinc/20/77/16/616207716.db2.gz WJOKUFNZZDBQQD-AAEUAGOBSA-N 0 1 293.323 0.839 20 5 CCBDMN CN1C[C@@H](O)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000924979465 616307184 /nfs/dbraw/zinc/30/71/84/616307184.db2.gz FILCCKARDXHXMH-ZJUUUORDSA-N 0 1 297.286 0.529 20 5 CCBDMN CN1CC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000928571640 616423215 /nfs/dbraw/zinc/42/32/15/616423215.db2.gz BMSLFSYJNWJPAX-NSHDSACASA-N 0 1 263.297 0.958 20 5 CCBDMN COCCNC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000799637495 616493530 /nfs/dbraw/zinc/49/35/30/616493530.db2.gz LXMQOLZAGFHIIM-SSDOTTSWSA-N 0 1 285.256 0.231 20 5 CCBDMN COC(=O)C[C@H](NCc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000878414750 616701519 /nfs/dbraw/zinc/70/15/19/616701519.db2.gz SNVZUANTEUNHHC-JTQLQIEISA-N 0 1 282.300 0.760 20 5 CCBDMN COC(=O)Cc1ccccc1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841126504 616721650 /nfs/dbraw/zinc/72/16/50/616721650.db2.gz GORDDLWFWDVLOD-NXEZZACHSA-N 0 1 279.248 0.973 20 5 CCBDMN CNC(=O)c1cccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839693365 616917058 /nfs/dbraw/zinc/91/70/58/616917058.db2.gz OOPCCWFNHGMAPP-VXGBXAGGSA-N 0 1 291.307 0.370 20 5 CCBDMN COC(=O)[C@@H](CCSC)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842366807 616961745 /nfs/dbraw/zinc/96/17/45/616961745.db2.gz DWRQKRYBVXXCKN-BWZBUEFSSA-N 0 1 277.298 0.490 20 5 CCBDMN CON(C)C(=O)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819372398 617037794 /nfs/dbraw/zinc/03/77/94/617037794.db2.gz BEIRCUIVRQOLBH-LLVKDONJSA-N 0 1 283.284 0.238 20 5 CCBDMN CON(C)C(=O)[C@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863587026 617069553 /nfs/dbraw/zinc/06/95/53/617069553.db2.gz HXAJSNYGNUDZRU-CABZTGNLSA-N 0 1 297.311 0.626 20 5 CCBDMN Cn1cc([C@@H]2CN(CC[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000930619786 625386568 /nfs/dbraw/zinc/38/65/68/625386568.db2.gz HVNGGOLEHHNDDR-ZDUSSCGKSA-N 0 1 294.355 0.893 20 5 CCBDMN Cc1nc2ccccn2c1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000890850680 624648791 /nfs/dbraw/zinc/64/87/91/624648791.db2.gz FJWONQQHDFZWPL-NXEZZACHSA-N 0 1 274.280 0.924 20 5 CCBDMN C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672368 631685989 /nfs/dbraw/zinc/68/59/89/631685989.db2.gz KBOTUHUUYBHYJT-ZRUFSTJUSA-N 0 1 284.312 0.890 20 5 CCBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC000840672421 631688342 /nfs/dbraw/zinc/68/83/42/631688342.db2.gz QBHRLVSJQXWJRI-FXBDTBDDSA-N 0 1 298.320 0.961 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000928443119 631849361 /nfs/dbraw/zinc/84/93/61/631849361.db2.gz CVALWOYXWADYHV-DTWKUNHWSA-N 0 1 281.316 0.459 20 5 CCBDMN Cc1csc(NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000909445360 631943013 /nfs/dbraw/zinc/94/30/13/631943013.db2.gz MLLLBRXEUFTNBZ-HTQZYQBOSA-N 0 1 270.314 0.645 20 5 CCBDMN Cc1nn(CCC(=O)NC[C@@H]2CCN2C)c(C)c1[N+](=O)[O-] ZINC000928561971 631996794 /nfs/dbraw/zinc/99/67/94/631996794.db2.gz JHOHVURXTHETFT-NSHDSACASA-N 0 1 295.343 0.619 20 5 CCBDMN O=C(NCc1cnc(Cl)cn1)[C@@H]1CC1[N+](=O)[O-] ZINC000910032769 635669307 /nfs/dbraw/zinc/66/93/07/635669307.db2.gz HVBABBSHSLYKGD-RNFRBKRXSA-N 0 1 256.649 0.411 20 5 CCBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1c1ccc([N+](=O)[O-])cn1 ZINC000910458007 635773637 /nfs/dbraw/zinc/77/36/37/635773637.db2.gz ZTFIWPBBOXHJBC-SNVBAGLBSA-N 0 1 294.311 0.975 20 5 CCBDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1c1ccc([N+](=O)[O-])nc1 ZINC000910457487 635774105 /nfs/dbraw/zinc/77/41/05/635774105.db2.gz VJXOSVBNBQHIDH-JTQLQIEISA-N 0 1 294.311 0.975 20 5 CCBDMN Cc1c(CN[C@@H]2COC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000231885636 637231818 /nfs/dbraw/zinc/23/18/18/637231818.db2.gz GKHOBTACRKHLJV-PWSUYJOCSA-N 0 1 252.270 0.753 20 5 CCBDMN C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000154147591 637922036 /nfs/dbraw/zinc/92/20/36/637922036.db2.gz KJZSBTLKJRRELC-DTORHVGOSA-N 0 1 278.312 0.999 20 5 CCBDMN O=CN1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000839021939 640291390 /nfs/dbraw/zinc/29/13/90/640291390.db2.gz NEGNOILUSRGBNP-UHFFFAOYSA-N 0 1 279.296 0.965 20 5 CCBDMN O=C(NCC[C@H](O)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839697498 640351229 /nfs/dbraw/zinc/35/12/29/640351229.db2.gz SDAYYIAMDXVMJW-UTUOFQBUSA-N 0 1 264.281 0.892 20 5 CCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000839716173 640356511 /nfs/dbraw/zinc/35/65/11/640356511.db2.gz MIWZEXBDJDUWST-DJLDLDEBSA-N 0 1 295.261 0.747 20 5 CCBDMN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000839713278 640357242 /nfs/dbraw/zinc/35/72/42/640357242.db2.gz RZPIOTMURJAQSU-ISUQUUIWSA-N 0 1 266.297 0.725 20 5 CCBDMN C[C@H]1C[C@@H](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839723181 640358650 /nfs/dbraw/zinc/35/86/50/640358650.db2.gz FWHGTHFATAZLHP-UKKRHICBSA-N 0 1 256.302 0.973 20 5 CCBDMN O=C(N[C@H]1COc2ccccc2[C@@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000839776264 640364383 /nfs/dbraw/zinc/36/43/83/640364383.db2.gz KDWXEVVLIMSTIW-KLBPJQLPSA-N 0 1 278.264 0.262 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](CO)[C@@H](O)C2)c1 ZINC000808751849 640877618 /nfs/dbraw/zinc/87/76/18/640877618.db2.gz NBUNKTRXBMVLBF-BNOWGMLFSA-N 0 1 296.323 0.303 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CSC[C@H]1C(=O)N1CCCC1 ZINC000840305598 641050805 /nfs/dbraw/zinc/05/08/05/641050805.db2.gz NJIZACXHLGGANP-BBBLOLIVSA-N 0 1 299.352 0.176 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1[C@@H]1CCCCC1=O ZINC000840402918 641497040 /nfs/dbraw/zinc/49/70/40/641497040.db2.gz GMNXPYVYWSZIRX-QCNOEVLYSA-N 0 1 296.323 0.638 20 5 CCBDMN O=[N+]([O-])c1ccc(-c2noc([C@H]3CNCCO3)n2)o1 ZINC000823269791 641752534 /nfs/dbraw/zinc/75/25/34/641752534.db2.gz LEHBKRAHNHLOMT-SSDOTTSWSA-N 0 1 266.213 0.899 20 5 CCBDMN O=C(OCc1cnnn1-c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673581 642786126 /nfs/dbraw/zinc/78/61/26/642786126.db2.gz UEMWMCSULONCHE-VXGBXAGGSA-N 0 1 288.263 0.976 20 5 CCBDMN O=C(OCCOCCn1cccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000842302447 642890422 /nfs/dbraw/zinc/89/04/22/642890422.db2.gz RXWYACHWMDENEY-NXEZZACHSA-N 0 1 269.257 0.108 20 5 CCBDMN Cc1noc(C(C)(C)NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000846652744 643436315 /nfs/dbraw/zinc/43/63/15/643436315.db2.gz SKEULTJNRBHVKM-RNFRBKRXSA-N 0 1 254.246 0.395 20 5 CCBDMN O=C1OCCN1[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000852431589 643961406 /nfs/dbraw/zinc/96/14/06/643961406.db2.gz DHBFGISLADRXTC-JTQLQIEISA-N 0 1 295.299 0.318 20 5 CCBDMN C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCNC1=O ZINC000853169474 644083555 /nfs/dbraw/zinc/08/35/55/644083555.db2.gz CQOPIFBOUVGHGG-NSHDSACASA-N 0 1 267.241 0.606 20 5 CCBDMN C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000853218458 644091037 /nfs/dbraw/zinc/09/10/37/644091037.db2.gz MHIHLVQASFJXCQ-SSDOTTSWSA-N 0 1 294.271 0.949 20 5 CCBDMN CCCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001018695941 650898521 /nfs/dbraw/zinc/89/85/21/650898521.db2.gz OFOZYPDNLCLLDV-GHMZBOCLSA-N 0 1 295.339 0.513 20 5 CCBDMN O=C(N[C@@H]1COc2cc(F)ccc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000855813322 644364703 /nfs/dbraw/zinc/36/47/03/644364703.db2.gz ZGHLCSCYBYTWHF-HBNTYKKESA-N 0 1 280.255 0.911 20 5 CCBDMN O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c2nonc21 ZINC000858866673 644656363 /nfs/dbraw/zinc/65/63/63/644656363.db2.gz DSMAZLGGAAXPBR-QMMMGPOBSA-N 0 1 293.283 0.610 20 5 CCBDMN C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CCN1CCO ZINC000886147219 647907284 /nfs/dbraw/zinc/90/72/84/647907284.db2.gz MELCOJQNPNZBRT-LLVKDONJSA-N 0 1 280.328 0.488 20 5 CCBDMN O=C(N1C[C@@H]2CCN(CC[N+](=O)[O-])C[C@H]2C1)C(F)(F)F ZINC000930638801 648884866 /nfs/dbraw/zinc/88/48/66/648884866.db2.gz FGRBCEKBKAFKRX-IUCAKERBSA-N 0 1 295.261 0.606 20 5 CCBDMN Cc1ccnc(N2C[C@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000153141127 719379903 /nfs/dbraw/zinc/37/99/03/719379903.db2.gz NNAGHIUDIABIBD-GHMZBOCLSA-N 0 1 278.312 0.817 20 5 CCBDMN CN1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@H]21 ZINC001164670187 719430364 /nfs/dbraw/zinc/43/03/64/719430364.db2.gz NSDOTCAOAAQZRH-GHMZBOCLSA-N 0 1 279.300 0.091 20 5 CCBDMN Cc1noc([C@H]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001125273614 790347505 /nfs/dbraw/zinc/34/75/05/790347505.db2.gz ATERZONFSHIBRD-IVZWLZJFSA-N 0 1 280.284 0.749 20 5 CCBDMN Cc1nc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)o1 ZINC001266272869 790373545 /nfs/dbraw/zinc/37/35/45/790373545.db2.gz FLRXLVBSCIQEAH-ZYHUDNBSSA-N 0 1 296.327 0.505 20 5 CCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1coc(C)n1 ZINC001266391074 790624198 /nfs/dbraw/zinc/62/41/98/790624198.db2.gz YIMQXHKZIPVLCL-VXGBXAGGSA-N 0 1 296.327 0.586 20 5 CCBDMN COC(=O)[C@@H]1C[C@@H]2C[C@@H](OC(=O)[C@@H]3CC3[N+](=O)[O-])[C@@H]2C1 ZINC001123370002 799398824 /nfs/dbraw/zinc/39/88/24/799398824.db2.gz XARDVCCHRUUNSC-VRGHXPGPSA-N 0 1 283.280 0.783 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(C2CCOCC2)C1 ZINC001155567004 801006973 /nfs/dbraw/zinc/00/69/73/801006973.db2.gz ZZWPNMHHVSNGBX-GHMZBOCLSA-N 0 1 254.286 0.537 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CCOCN2)c1[N+](=O)[O-] ZINC001155916142 801076832 /nfs/dbraw/zinc/07/68/32/801076832.db2.gz JJRVCNXTHCQGMU-UHFFFAOYSA-N 0 1 269.261 0.205 20 5 CCBDMN NCc1nnnn1-c1ncc([N+](=O)[O-])cc1Cl ZINC001158075231 801565326 /nfs/dbraw/zinc/56/53/26/801565326.db2.gz ZRLFPWIZEMPZGI-UHFFFAOYSA-N 0 1 255.625 0.078 20 5 CCBDMN Cc1[nH]nc(C(=O)N(CC(F)F)C[C@@H](C)O)c1[N+](=O)[O-] ZINC001158145651 801577165 /nfs/dbraw/zinc/57/71/65/801577165.db2.gz NLYLENVTPQEDMC-RXMQYKEDSA-N 0 1 292.242 0.714 20 5 CCBDMN Cc1nc(Cl)c([N+](=O)[O-])c(NC[C@H]2COCCN2)n1 ZINC001159043808 801748164 /nfs/dbraw/zinc/74/81/64/801748164.db2.gz XLGSFGJMVRRAIR-ZETCQYMHSA-N 0 1 287.707 0.747 20 5 CCBDMN Cc1nnc(CN)n1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001163348551 802541584 /nfs/dbraw/zinc/54/15/84/802541584.db2.gz HBVSCGNDRJGTNQ-UHFFFAOYSA-N 0 1 273.256 0.819 20 5 CCBDMN CN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1(C)C ZINC001163629386 802577862 /nfs/dbraw/zinc/57/78/62/802577862.db2.gz BQORFSLUHVBMTC-UHFFFAOYSA-N 0 1 266.305 0.497 20 5 CCBDMN COCc1nn(-c2cc([N+](=O)[O-])cc[n+]2[O-])c2c1CNC2 ZINC001165631506 802857152 /nfs/dbraw/zinc/85/71/52/802857152.db2.gz BCOCMXMNEHDUFZ-UHFFFAOYSA-N 0 1 291.267 0.164 20 5 CCBDMN CCOC(=O)c1c[n-]c(=O)nc1O[C@@H](C)C[N+](C)(C)C ZINC001225898666 805174671 /nfs/dbraw/zinc/17/46/71/805174671.db2.gz CPGKXTPSGOGVSD-VIFPVBQESA-O 0 1 284.336 0.832 20 5 CCBDMN Cc1nc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)co1 ZINC001042711066 815070626 /nfs/dbraw/zinc/07/06/26/815070626.db2.gz NWKICBUBUJAQOS-VXGBXAGGSA-N 0 1 294.311 0.291 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(OC(=O)C[C@@H](C)O)cc1O ZINC001228808638 805481185 /nfs/dbraw/zinc/48/11/85/805481185.db2.gz CQYPILFMXWHFOD-ZCFIWIBFSA-N 0 1 299.235 0.763 20 5 CCBDMN Cc1nc(O[C@H]2CCCOC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229376488 805526358 /nfs/dbraw/zinc/52/63/58/805526358.db2.gz VLQRENKEZNYLMG-ZETCQYMHSA-N 0 1 255.230 0.957 20 5 CCBDMN Cc1nc(OC[C@@H]2COCCO2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375466 805527761 /nfs/dbraw/zinc/52/77/61/805527761.db2.gz FCBYYTKXQGDBQC-ZETCQYMHSA-N 0 1 271.229 0.193 20 5 CCBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H](c2nc[nH]n2)C1 ZINC001261862348 809114037 /nfs/dbraw/zinc/11/40/37/809114037.db2.gz SZVJFFGNDNSMIZ-LURJTMIESA-N 0 1 277.244 0.066 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCNC[C@H]1C(C)C ZINC001263165236 809467088 /nfs/dbraw/zinc/46/70/88/809467088.db2.gz VZMHAWWQRLGFDG-NSHDSACASA-N 0 1 295.343 0.556 20 5 CCBDMN CC[C@H]1[C@H](CO)CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC001141551398 813738650 /nfs/dbraw/zinc/73/86/50/813738650.db2.gz ZTPQARZMIBDBCE-IUCAKERBSA-N 0 1 282.300 0.859 20 5 CCBDMN O=C(NC1CN(CCOC2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292508 815961098 /nfs/dbraw/zinc/96/10/98/815961098.db2.gz MDLZNKMMDWEUMO-VXGBXAGGSA-N 0 1 283.328 0.021 20 5 CCBDMN COCCC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001122388258 816677752 /nfs/dbraw/zinc/67/77/52/816677752.db2.gz SVOCWBNKYFJSHA-UHFFFAOYSA-N 0 1 287.341 0.899 20 5 CCBDMN COC[C@H]1COCCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169043837 836113162 /nfs/dbraw/zinc/11/31/62/836113162.db2.gz HXZDSXNUIRKMQB-WOPDTQHZSA-N 0 1 258.318 0.779 20 5 CCBDMN CC1(C)C(=O)NCCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169022474 836115133 /nfs/dbraw/zinc/11/51/33/836115133.db2.gz BYOPBFDQJUOVDY-ZJUUUORDSA-N 0 1 255.318 0.642 20 5 CCBDMN COc1cnc(NC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC001170043215 836776701 /nfs/dbraw/zinc/77/67/01/836776701.db2.gz VTYSGTRHKBXOEA-QMMMGPOBSA-N 0 1 268.273 0.399 20 5 CCBDMN O=[N+]([O-])c1cnc2ccc(NC[C@H]3COCCN3)cn21 ZINC001170044560 836780801 /nfs/dbraw/zinc/78/08/01/836780801.db2.gz MWKFFBHTHHBPJI-JTQLQIEISA-N 0 1 277.284 0.643 20 5 CCBDMN COc1ccc(C[C@H](C)n2nnnc2CN)c([N+](=O)[O-])c1 ZINC001170304533 837288848 /nfs/dbraw/zinc/28/88/48/837288848.db2.gz DPQPKNIWFZLGDG-QMMMGPOBSA-N 0 1 292.299 0.852 20 5 CCBDMN O=C(CCc1nn[nH]n1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001137107164 848121868 /nfs/dbraw/zinc/12/18/68/848121868.db2.gz HNHKOTYJLCYPMS-UHFFFAOYSA-N 0 1 288.267 0.583 20 5 CCBDMN CCc1nc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC001323533732 912400617 /nfs/dbraw/zinc/40/06/17/912400617.db2.gz GCBOODFZBGIDSQ-UHFFFAOYSA-N 0 1 292.255 0.076 20 5 CCBDMN CCc1n[nH]c(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC001323533732 912400628 /nfs/dbraw/zinc/40/06/28/912400628.db2.gz GCBOODFZBGIDSQ-UHFFFAOYSA-N 0 1 292.255 0.076 20 5 CCBDMN COC(=O)c1ncccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001325330339 913345880 /nfs/dbraw/zinc/34/58/80/913345880.db2.gz DBKBNNYCFXHSLZ-HTRCEHHLSA-N 0 1 265.225 0.472 20 5 CCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccc[nH]1 ZINC001299159816 891744302 /nfs/dbraw/zinc/74/43/02/891744302.db2.gz COZPZFOOQBKWPF-PSASIEDQSA-N 0 1 292.295 0.059 20 5 CCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnsn1 ZINC001490193824 900564942 /nfs/dbraw/zinc/56/49/42/900564942.db2.gz YYZIHSJGQJSISN-NXEZZACHSA-N 0 1 299.356 0.141 20 5 CCBDMN O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001337109192 921188977 /nfs/dbraw/zinc/18/89/77/921188977.db2.gz NPGOSGRRVJJSEN-UFBFGSQYSA-N 0 1 296.283 0.386 20 5 CCBDMN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1=CCCC1 ZINC001298348848 907228797 /nfs/dbraw/zinc/22/87/97/907228797.db2.gz RRKZIXCMIRPFPU-OPVGQWETSA-N 0 1 293.323 0.551 20 5 CCBDMN CNC(=O)[C@H]1CCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC001307682818 908332698 /nfs/dbraw/zinc/33/26/98/908332698.db2.gz MDAQTGTXWNNTTG-UWVGGRQHSA-N 0 1 281.316 0.333 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc(C(C)C)n[nH]1 ZINC001318154963 909644962 /nfs/dbraw/zinc/64/49/62/909644962.db2.gz RKYRLLMMFFGJCD-UHFFFAOYSA-N 0 1 293.287 0.980 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1n[nH]c(C(C)C)n1 ZINC001318154963 909644972 /nfs/dbraw/zinc/64/49/72/909644972.db2.gz RKYRLLMMFFGJCD-UHFFFAOYSA-N 0 1 293.287 0.980 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCC3)C2)n1 ZINC001339677556 921795417 /nfs/dbraw/zinc/79/54/17/921795417.db2.gz IFAQKQIZRSVYDH-SECBINFHSA-N 0 1 279.300 0.249 20 5 CCBDMN C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C(=O)[O-] ZINC001329570652 916022262 /nfs/dbraw/zinc/02/22/62/916022262.db2.gz PWNMAKBOECRYFJ-VHSXEESVSA-N 0 1 282.300 0.834 20 5 CCBDMN C[N@@H+](CCC(=O)[O-])C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001333570852 919011163 /nfs/dbraw/zinc/01/11/63/919011163.db2.gz BYJKAZMSUGJXMI-SNVBAGLBSA-N 0 1 298.295 0.741 20 5 CCBDMN C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001333572328 919012668 /nfs/dbraw/zinc/01/26/68/919012668.db2.gz YIHBPHSLAYIRFU-DTORHVGOSA-N 0 1 268.273 0.586 20 5 CCBDMN CCN1CCN(C2CN(c3c([N+](=O)[O-])cnn3C)C2)CC1 ZINC001336730049 920961170 /nfs/dbraw/zinc/96/11/70/920961170.db2.gz WWELLFARWRINOT-UHFFFAOYSA-N 0 1 294.359 0.154 20 5 CCBDMN O=C(NCCc1cn[nH]c1)c1n[nH]cc1[N+](=O)[O-] ZINC001343573429 923377974 /nfs/dbraw/zinc/37/79/74/923377974.db2.gz ZSKGTKFTHRQUBF-UHFFFAOYSA-N 0 1 250.218 0.014 20 5 CCBDMN CC(C)CC1(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001348934292 924846900 /nfs/dbraw/zinc/84/69/00/924846900.db2.gz BMBCTMOMMAKKHG-GHMZBOCLSA-N 0 1 297.355 0.710 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCC(=O)[O-] ZINC000042717940 948885466 /nfs/dbraw/zinc/88/54/66/948885466.db2.gz HYSMQZRJXSJFRQ-UHFFFAOYSA-N 0 1 270.289 0.896 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1CC(=O)[O-] ZINC001599865805 989254223 /nfs/dbraw/zinc/25/42/23/989254223.db2.gz PILQQAWQDJWVKY-NXEZZACHSA-N 0 1 282.300 0.834 20 5 CCBDMN C[C@@H]([NH2+][C@@H](C)C(=O)NCC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001593354171 994987372 /nfs/dbraw/zinc/98/73/72/994987372.db2.gz JOSBHONQIWBDJD-BDAKNGLRSA-N 0 1 295.295 0.835 20 5 CCBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC001599462522 998298016 /nfs/dbraw/zinc/29/80/16/998298016.db2.gz XRZYVLRFQCLBLS-CYBMUJFWSA-N 0 1 296.279 0.625 20 5 CCBDMN CNCc1cn(Cc2ccc(OC)c([N+](=O)[O-])c2)nn1 ZINC000090295925 349436084 /nfs/dbraw/zinc/43/60/84/349436084.db2.gz BMQRSQPWDQPXLB-UHFFFAOYSA-N 0 1 277.284 0.963 20 5 CCBDMN C[C@@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000097202263 349633506 /nfs/dbraw/zinc/63/35/06/349633506.db2.gz GRQZLVZRDPZZHS-LURJTMIESA-N 0 1 264.241 0.582 20 5 CCBDMN C[C@H]1CNCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000125819915 187201190 /nfs/dbraw/zinc/20/11/90/187201190.db2.gz RSPLAYIZJDUOIY-JTQLQIEISA-N 0 1 279.296 0.794 20 5 CCBDMN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000105790538 349724016 /nfs/dbraw/zinc/72/40/16/349724016.db2.gz HBEIUSZQWACNGT-GHMZBOCLSA-N 0 1 280.328 0.881 20 5 CCBDMN C[C@@H](C[S@](C)=O)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000126217657 187225414 /nfs/dbraw/zinc/22/54/14/187225414.db2.gz RCOOLAZSZUMTET-NIVTXAMTSA-N 0 1 274.346 0.490 20 5 CCBDMN O=C(NCCN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600805953 362064507 /nfs/dbraw/zinc/06/45/07/362064507.db2.gz DGGPIEFAZVHAEV-JTQLQIEISA-N 0 1 297.286 0.530 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(=O)N(C)CC1 ZINC000601975094 362446512 /nfs/dbraw/zinc/44/65/12/362446512.db2.gz ZKWMVMYPAMFUTJ-UHFFFAOYSA-N 0 1 281.316 0.264 20 5 CCBDMN C[N@@H+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602714066 362764763 /nfs/dbraw/zinc/76/47/63/362764763.db2.gz FRODUIZUSZNNRS-LLVKDONJSA-N 0 1 281.312 0.409 20 5 CCBDMN C[N@H+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602714066 362764767 /nfs/dbraw/zinc/76/47/67/362764767.db2.gz FRODUIZUSZNNRS-LLVKDONJSA-N 0 1 281.312 0.409 20 5 CCBDMN C[C@H]1OCC[C@@]1(C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602824113 362820280 /nfs/dbraw/zinc/82/02/80/362820280.db2.gz WQGOBBQTWMCSPK-LDYMZIIASA-N 0 1 254.290 0.985 20 5 CCBDMN O=C(NC[C@@H]1CCCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC000343232637 137122008 /nfs/dbraw/zinc/12/20/08/137122008.db2.gz QWKZEDWFVRJVIN-ZETCQYMHSA-N 0 1 254.246 0.474 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344018016 137173488 /nfs/dbraw/zinc/17/34/88/137173488.db2.gz FLECJTDGMURSCA-IQJOONFLSA-N 0 1 266.301 0.531 20 5 CCBDMN CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000602903012 362876389 /nfs/dbraw/zinc/87/63/89/362876389.db2.gz HOHHIVQNSDGSIR-CYBMUJFWSA-N 0 1 295.339 0.582 20 5 CCBDMN CN1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602905289 362878824 /nfs/dbraw/zinc/87/88/24/362878824.db2.gz QZGAKUXQTFJHSJ-LBPRGKRZSA-N 0 1 295.339 0.582 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000045297381 348335413 /nfs/dbraw/zinc/33/54/13/348335413.db2.gz KQKWETPUHOYCML-RXMQYKEDSA-N 0 1 277.240 0.075 20 5 CCBDMN CN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1(C)C ZINC000602921924 362887698 /nfs/dbraw/zinc/88/76/98/362887698.db2.gz ICWMUVHGFKEUCS-UHFFFAOYSA-N 0 1 293.327 0.970 20 5 CCBDMN Cc1n[nH]c(C(=O)N(C)[C@@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC000347936783 137364873 /nfs/dbraw/zinc/36/48/73/137364873.db2.gz XSBWDZHPNVDFJM-SNVBAGLBSA-N 0 1 293.327 0.793 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC000347936783 137364874 /nfs/dbraw/zinc/36/48/74/137364874.db2.gz XSBWDZHPNVDFJM-SNVBAGLBSA-N 0 1 293.327 0.793 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CCN(CC2CC2)CC1 ZINC000052472570 348509935 /nfs/dbraw/zinc/50/99/35/348509935.db2.gz PQWNCRHAELFUOQ-UHFFFAOYSA-N 0 1 265.317 0.860 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000054370140 348554271 /nfs/dbraw/zinc/55/42/71/348554271.db2.gz CKZKVFAKSLFSOG-SNVBAGLBSA-N 0 1 263.297 0.958 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CCN(CC(C)(C)O)CC1 ZINC000070938045 348900275 /nfs/dbraw/zinc/90/02/75/348900275.db2.gz VDMLSAWYIKCGGT-UHFFFAOYSA-N 0 1 283.332 0.221 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000078007260 349127260 /nfs/dbraw/zinc/12/72/60/349127260.db2.gz GTPJAPYOAGUIPE-UHFFFAOYSA-N 0 1 261.241 0.985 20 5 CCBDMN CC[C@H](CO)N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000078522445 349142025 /nfs/dbraw/zinc/14/20/25/349142025.db2.gz YPACUHBYWXZTQY-SNVBAGLBSA-N 0 1 283.332 0.221 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCCc1nc[nH]n1 ZINC000080577229 349218548 /nfs/dbraw/zinc/21/85/48/349218548.db2.gz HOCKJBBJXUSMNQ-UHFFFAOYSA-N 0 1 264.245 0.024 20 5 CCBDMN O=C(NCCc1nc[nH]n1)c1ccc([N+](=O)[O-])[nH]1 ZINC000080584534 349219654 /nfs/dbraw/zinc/21/96/54/349219654.db2.gz TVFNCKGINQBKSV-UHFFFAOYSA-N 0 1 250.218 0.014 20 5 CCBDMN C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1 ZINC000088058933 349354786 /nfs/dbraw/zinc/35/47/86/349354786.db2.gz GVTGLOXLICZLDH-JTQLQIEISA-N 0 1 263.297 0.958 20 5 CCBDMN Cc1cnc(N(C)CC(=O)N2CCNCC2)c([N+](=O)[O-])c1 ZINC000090692542 180025185 /nfs/dbraw/zinc/02/51/85/180025185.db2.gz YGESDMSCVFVUAK-UHFFFAOYSA-N 0 1 293.327 0.166 20 5 CCBDMN Cc1cc([N+](=O)[O-])cn(CCN2CCCOCC2)c1=O ZINC000413001893 233303134 /nfs/dbraw/zinc/30/31/34/233303134.db2.gz QMKJSTLJCBKYLI-UHFFFAOYSA-N 0 1 281.312 0.787 20 5 CCBDMN O=C(NC[C@H](O)C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000132208575 350300778 /nfs/dbraw/zinc/30/07/78/350300778.db2.gz PGSDHBZKDKTNER-JTQLQIEISA-N 0 1 282.300 0.989 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2C[C@]2(O)C1 ZINC000603085282 362953690 /nfs/dbraw/zinc/95/36/90/362953690.db2.gz DUVBASQTDDVDHW-ONGXEEELSA-N 0 1 252.274 0.166 20 5 CCBDMN CC[C@]1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000135625273 350405423 /nfs/dbraw/zinc/40/54/23/350405423.db2.gz OBTACLPFULSXPX-QWHCGFSZSA-N 0 1 298.343 0.653 20 5 CCBDMN CC(C)N1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1=O ZINC000159014072 350666720 /nfs/dbraw/zinc/66/67/20/350666720.db2.gz ANJLFOODKIYIRQ-SSDOTTSWSA-N 0 1 281.272 0.057 20 5 CCBDMN COC[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000159677073 350684756 /nfs/dbraw/zinc/68/47/56/350684756.db2.gz NNMYQCQWSSGYOP-QMMMGPOBSA-N 0 1 253.258 0.815 20 5 CCBDMN CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000175315827 351125626 /nfs/dbraw/zinc/12/56/26/351125626.db2.gz VSYJATCJBUISCW-SECBINFHSA-N 0 1 294.311 0.767 20 5 CCBDMN CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000175315827 351125627 /nfs/dbraw/zinc/12/56/27/351125627.db2.gz VSYJATCJBUISCW-SECBINFHSA-N 0 1 294.311 0.767 20 5 CCBDMN C[NH+](C)[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187068320 351527270 /nfs/dbraw/zinc/52/72/70/351527270.db2.gz CQLDSZNAODDCSC-JTQLQIEISA-N 0 1 294.311 0.862 20 5 CCBDMN CC[N@H+](CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000187063015 351527881 /nfs/dbraw/zinc/52/78/81/351527881.db2.gz DNLAYADDSVGWBW-UHFFFAOYSA-N 0 1 294.311 0.910 20 5 CCBDMN CC[N@@H+](CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000187063015 351527883 /nfs/dbraw/zinc/52/78/83/351527883.db2.gz DNLAYADDSVGWBW-UHFFFAOYSA-N 0 1 294.311 0.910 20 5 CCBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000227885377 352061541 /nfs/dbraw/zinc/06/15/41/352061541.db2.gz XCVDNDXNXBDDGX-MRVPVSSYSA-N 0 1 291.311 0.539 20 5 CCBDMN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1COCCN1 ZINC000236400459 352194394 /nfs/dbraw/zinc/19/43/94/352194394.db2.gz BYJDUQQVGDFFLC-NSHDSACASA-N 0 1 279.296 0.242 20 5 CCBDMN CN(C)CC(=O)N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603848878 363163154 /nfs/dbraw/zinc/16/31/54/363163154.db2.gz ZMONFKVJLUROPL-UHFFFAOYSA-N 0 1 293.327 0.200 20 5 CCBDMN COC(=O)C(C)(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274679548 353152825 /nfs/dbraw/zinc/15/28/25/353152825.db2.gz HXRFNZDUDGJTHX-UHFFFAOYSA-N 0 1 282.252 0.982 20 5 CCBDMN Cc1nc(N2CCN(C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000274977713 353176830 /nfs/dbraw/zinc/17/68/30/353176830.db2.gz AZAXFVNFSNAHPE-JTQLQIEISA-N 0 1 280.328 0.801 20 5 CCBDMN CO[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1OC ZINC000276976329 353214502 /nfs/dbraw/zinc/21/45/02/353214502.db2.gz YRHDPUQQGLEXMW-PHIMTYICSA-N 0 1 270.289 0.137 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](OC)[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000277979683 353276353 /nfs/dbraw/zinc/27/63/53/353276353.db2.gz VPNDJPGYMMVIDS-DTORHVGOSA-N 0 1 298.299 0.366 20 5 CCBDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000155493989 188210289 /nfs/dbraw/zinc/21/02/89/188210289.db2.gz CFADEZKTFCVVMB-NXEZZACHSA-N 0 1 281.316 0.342 20 5 CCBDMN O=C(N[C@H](CO)CC1CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000280286363 353353272 /nfs/dbraw/zinc/35/32/72/353353272.db2.gz QSONYOOSEGLAJY-QMMMGPOBSA-N 0 1 268.273 0.599 20 5 CCBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000282279885 353409678 /nfs/dbraw/zinc/40/96/78/353409678.db2.gz VIGVSPDOSDLDRG-LLVKDONJSA-N 0 1 293.279 0.651 20 5 CCBDMN NC(=O)c1ccnc(NCCN2CC=CCC2)c1[N+](=O)[O-] ZINC000290994548 353762522 /nfs/dbraw/zinc/76/25/22/353762522.db2.gz UJNCTNQDWFPVNM-UHFFFAOYSA-N 0 1 291.311 0.763 20 5 CCBDMN C[C@H](NCCS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293649051 353826878 /nfs/dbraw/zinc/82/68/78/353826878.db2.gz ILSUIHPDRIDLJT-QMMMGPOBSA-N 0 1 287.341 0.872 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](CC)CO)c1[N+](=O)[O-] ZINC000295995538 353927090 /nfs/dbraw/zinc/92/70/90/353927090.db2.gz JPHAGVHVKJQYHS-ZETCQYMHSA-N 0 1 270.289 0.723 20 5 CCBDMN CCCN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000298718650 353966390 /nfs/dbraw/zinc/96/63/90/353966390.db2.gz KBWSYDGAYWXCPG-UHFFFAOYSA-N 0 1 266.305 0.499 20 5 CCBDMN CN1CCO[C@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])C[C@H]21 ZINC000332240549 283036613 /nfs/dbraw/zinc/03/66/13/283036613.db2.gz RPEFCVYJDRWMSY-KGLIPLIRSA-N 0 1 293.323 0.815 20 5 CCBDMN CN(C)C(=O)CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332731287 354730863 /nfs/dbraw/zinc/73/08/63/354730863.db2.gz VRWUVPCNLKOZQL-UHFFFAOYSA-N 0 1 278.312 0.826 20 5 CCBDMN O=c1[nH]nc2n1CCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000332569107 354698400 /nfs/dbraw/zinc/69/84/00/354698400.db2.gz CNNATSWKWFQYAI-UHFFFAOYSA-N 0 1 275.268 0.908 20 5 CCBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CNCCO1 ZINC000423836268 235093501 /nfs/dbraw/zinc/09/35/01/235093501.db2.gz FKUBYMQYDWQCDQ-NSHDSACASA-N 0 1 299.714 0.853 20 5 CCBDMN CC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000338891005 355446103 /nfs/dbraw/zinc/44/61/03/355446103.db2.gz ZHBQTITYAANXSV-GFCCVEGCSA-N 0 1 280.328 0.883 20 5 CCBDMN CN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000340218963 355526590 /nfs/dbraw/zinc/52/65/90/355526590.db2.gz KLMFTJCFZZTJHG-LBPRGKRZSA-N 0 1 263.297 0.958 20 5 CCBDMN CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CN2CCC1CC2 ZINC000360800521 138011113 /nfs/dbraw/zinc/01/11/13/138011113.db2.gz YPDBMELZFHPYHF-LLVKDONJSA-N 0 1 293.327 0.495 20 5 CCBDMN Cc1nc(C)c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC000353682222 356272293 /nfs/dbraw/zinc/27/22/93/356272293.db2.gz CHEHTCXICPUDTP-UHFFFAOYSA-N 0 1 265.229 0.853 20 5 CCBDMN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000362080539 138045725 /nfs/dbraw/zinc/04/57/25/138045725.db2.gz XRFBIJDLXPLBMW-BXKDBHETSA-N 0 1 293.323 0.754 20 5 CCBDMN CC(C)(NC(=O)Cc1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000354757622 356491428 /nfs/dbraw/zinc/49/14/28/356491428.db2.gz JPCBQVMYHSAWMI-UHFFFAOYSA-N 0 1 290.283 0.702 20 5 CCBDMN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cnn[nH]1 ZINC000609461681 363498149 /nfs/dbraw/zinc/49/81/49/363498149.db2.gz HOMSMJVJHZCMDH-UHFFFAOYSA-N 0 1 277.240 0.522 20 5 CCBDMN CCN(C)CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263580 363547702 /nfs/dbraw/zinc/54/77/02/363547702.db2.gz SVXGWDOQNHAMRM-UHFFFAOYSA-N 0 1 288.329 0.220 20 5 CCBDMN CSc1nc(=NC(=O)c2ccc([N+](=O)[O-])cn2)[nH][nH]1 ZINC000532393442 358508979 /nfs/dbraw/zinc/50/89/79/358508979.db2.gz IMQSCMVFOOFTNJ-UHFFFAOYSA-N 0 1 280.269 0.504 20 5 CCBDMN COc1ncccc1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000359701164 356873838 /nfs/dbraw/zinc/87/38/38/356873838.db2.gz LXSPFHIOHKPIQE-UHFFFAOYSA-N 0 1 291.267 0.694 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000366222517 357193223 /nfs/dbraw/zinc/19/32/23/357193223.db2.gz ILAOWUIRFFQCDC-QMMMGPOBSA-N 0 1 294.311 0.989 20 5 CCBDMN Cn1nccc1C1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000376044321 357427593 /nfs/dbraw/zinc/42/75/93/357427593.db2.gz PKAGQJAIJLRNKB-ZYHUDNBSSA-N 0 1 276.296 0.701 20 5 CCBDMN O=C(N[C@@H]1COc2ccccc2[C@@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000378135117 357649959 /nfs/dbraw/zinc/64/99/59/357649959.db2.gz KDWXEVVLIMSTIW-BFLSOPEQSA-N 0 1 278.264 0.262 20 5 CCBDMN COC(=O)[C@@H]1CCCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000378579248 357695376 /nfs/dbraw/zinc/69/53/76/357695376.db2.gz NNTNNTBOOMAMSP-KXUCPTDWSA-N 0 1 270.285 0.596 20 5 CCBDMN O=[N+]([O-])c1cc(F)cnc1NCCN1CCC(O)CC1 ZINC000400278468 357793247 /nfs/dbraw/zinc/79/32/47/357793247.db2.gz YQUYNFPCSZLQHN-UHFFFAOYSA-N 0 1 284.291 0.998 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405431855 357825960 /nfs/dbraw/zinc/82/59/60/357825960.db2.gz BAYGUVWDPNOHKK-DTWKUNHWSA-N 0 1 281.268 0.079 20 5 CCBDMN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1C ZINC000408072202 357903470 /nfs/dbraw/zinc/90/34/70/357903470.db2.gz NAOGARXFCCYALM-YUMQZZPRSA-N 0 1 267.289 0.530 20 5 CCBDMN CNC(=O)[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000294701211 199142020 /nfs/dbraw/zinc/14/20/20/199142020.db2.gz QZBAMGKUECPCLF-LURJTMIESA-N 0 1 291.267 0.335 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](CO)CC2)c1[N+](=O)[O-] ZINC000294712170 199147064 /nfs/dbraw/zinc/14/70/64/199147064.db2.gz YDARXHWRJQGUHY-SECBINFHSA-N 0 1 282.300 0.861 20 5 CCBDMN Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cn2C)n[nH]1 ZINC000580968281 359117276 /nfs/dbraw/zinc/11/72/76/359117276.db2.gz IWINVSXPBXQYJL-ZCFIWIBFSA-N 0 1 278.272 0.851 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCN([C@@H]3CCOC3)CC2)n1 ZINC000611140128 363664297 /nfs/dbraw/zinc/66/42/97/363664297.db2.gz VEHRNSRACUUZJY-GFCCVEGCSA-N 0 1 295.343 0.198 20 5 CCBDMN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@@H]1[NH3+] ZINC000592330533 359818552 /nfs/dbraw/zinc/81/85/52/359818552.db2.gz BVDYHHMQJQQEBI-KWQFWETISA-N 0 1 294.311 0.895 20 5 CCBDMN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[NH2+]1 ZINC000592332273 359819476 /nfs/dbraw/zinc/81/94/76/359819476.db2.gz JSRKQBOPWPJXAG-JGVFFNPUSA-N 0 1 280.284 0.566 20 5 CCBDMN O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592338476 359821690 /nfs/dbraw/zinc/82/16/90/359821690.db2.gz VQYWWQUNOATJAK-JTQLQIEISA-N 0 1 292.295 0.567 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000593032878 360019222 /nfs/dbraw/zinc/01/92/22/360019222.db2.gz FHHXZRSZDMQWEA-JOYOIKCWSA-N 0 1 268.269 0.085 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000593032878 360019229 /nfs/dbraw/zinc/01/92/29/360019229.db2.gz FHHXZRSZDMQWEA-JOYOIKCWSA-N 0 1 268.269 0.085 20 5 CCBDMN O=[N+]([O-])c1ccc(CN2CC(N3CC[C@@H](O)C3)C2)cc1 ZINC000593680442 360133989 /nfs/dbraw/zinc/13/39/89/360133989.db2.gz WKCKSZIKDWSFQX-CQSZACIVSA-N 0 1 277.324 0.846 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C[C@@H](C)O)C2CC2)c1[N+](=O)[O-] ZINC000594416013 360296870 /nfs/dbraw/zinc/29/68/70/360296870.db2.gz UFIRTDONEGUDLQ-SSDOTTSWSA-N 0 1 282.300 0.866 20 5 CCBDMN O=[N+]([O-])c1cnccc1NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000594590048 360336803 /nfs/dbraw/zinc/33/68/03/360336803.db2.gz QVQKOWLQPBUWOI-SNVBAGLBSA-N 0 1 290.283 0.993 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000594765058 360379214 /nfs/dbraw/zinc/37/92/14/360379214.db2.gz ICJSTWQOHAPHIT-SSDOTTSWSA-N 0 1 273.270 0.057 20 5 CCBDMN C[C@H](O)C[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594773982 360380623 /nfs/dbraw/zinc/38/06/23/360380623.db2.gz URQONQSDMGCKMZ-YUMQZZPRSA-N 0 1 289.313 0.428 20 5 CCBDMN CO[C@@H](C)[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594778783 360381518 /nfs/dbraw/zinc/38/15/18/360381518.db2.gz HSILJEUGNCLSEI-YUMQZZPRSA-N 0 1 289.313 0.692 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CCC[C@H]1O ZINC000594783865 360383000 /nfs/dbraw/zinc/38/30/00/360383000.db2.gz PFMIGQKMOTWGJA-VXNVDRBHSA-N 0 1 287.297 0.182 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000594792788 360384207 /nfs/dbraw/zinc/38/42/07/360384207.db2.gz CADZTQLNLBZIBQ-MRTMQBJTSA-N 0 1 299.308 0.588 20 5 CCBDMN CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)C(=O)[O-] ZINC000595882128 360689383 /nfs/dbraw/zinc/68/93/83/360689383.db2.gz GQWVCYGHAPCCFJ-QMMMGPOBSA-N 0 1 256.262 0.586 20 5 CCBDMN Cc1nn(C)c(N(C)Cc2cnc[nH]2)c1[N+](=O)[O-] ZINC000596305875 360876408 /nfs/dbraw/zinc/87/64/08/360876408.db2.gz NYSQTTOQAQSHNY-UHFFFAOYSA-N 0 1 250.262 0.996 20 5 CCBDMN CN(C)C1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000597479859 361109060 /nfs/dbraw/zinc/10/90/60/361109060.db2.gz WJZPGOZQICWKDC-UHFFFAOYSA-N 0 1 290.323 0.969 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCO[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000597541988 361133050 /nfs/dbraw/zinc/13/30/50/361133050.db2.gz XVXZXKVKPUXKCW-MRVPVSSYSA-N 0 1 284.272 0.325 20 5 CCBDMN CC[C@@H]1CN(C)CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000597606599 361159638 /nfs/dbraw/zinc/15/96/38/361159638.db2.gz XRMNDWPQZRQNDS-SNVBAGLBSA-N 0 1 295.343 0.885 20 5 CCBDMN CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597945984 361287988 /nfs/dbraw/zinc/28/79/88/361287988.db2.gz LPESSRWXMXEUDA-SNVBAGLBSA-N 0 1 294.311 0.862 20 5 CCBDMN CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597945984 361287994 /nfs/dbraw/zinc/28/79/94/361287994.db2.gz LPESSRWXMXEUDA-SNVBAGLBSA-N 0 1 294.311 0.862 20 5 CCBDMN O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000598314750 361388379 /nfs/dbraw/zinc/38/83/79/361388379.db2.gz YSUJAHMCZMAJSA-HTQZYQBOSA-N 0 1 266.257 0.351 20 5 CCBDMN COC(=O)[C@](C)(CCF)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598286405 361376224 /nfs/dbraw/zinc/37/62/24/361376224.db2.gz QUPQMYMGENKCLP-JTQLQIEISA-N 0 1 288.235 0.339 20 5 CCBDMN CC(C)[C@@H](C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599239426 361618553 /nfs/dbraw/zinc/61/85/53/361618553.db2.gz CMHIMGZSZKQNGE-QMMMGPOBSA-N 0 1 290.345 0.899 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@H](CO)C1 ZINC000330601760 203025018 /nfs/dbraw/zinc/02/50/18/203025018.db2.gz DQAODKIYIPAGRS-NSHDSACASA-N 0 1 268.269 0.494 20 5 CCBDMN O=C([O-])C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000574577705 335031207 /nfs/dbraw/zinc/03/12/07/335031207.db2.gz DXIFATZSLPVKTH-UHFFFAOYSA-N 0 1 254.246 0.340 20 5 CCBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCNCC1 ZINC000415280332 285240999 /nfs/dbraw/zinc/24/09/99/285240999.db2.gz GCUKCQWOJIBXSH-UHFFFAOYSA-N 0 1 296.258 0.104 20 5 CCBDMN Cc1c(NC(=O)[C@@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000043708885 388869883 /nfs/dbraw/zinc/86/98/83/388869883.db2.gz DTNGVQXGSRERHB-NSHDSACASA-N 0 1 265.269 0.830 20 5 CCBDMN CC(C)(NC(=O)[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000187970139 388905928 /nfs/dbraw/zinc/90/59/28/388905928.db2.gz IWCLZAPHOFMNBP-GFCCVEGCSA-N 0 1 293.323 0.935 20 5 CCBDMN CCOCCO[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157794996 389333622 /nfs/dbraw/zinc/33/36/22/389333622.db2.gz PSKKNLFETWOZRR-ZDUSSCGKSA-N 0 1 298.343 0.919 20 5 CCBDMN Cc1cccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000136963400 389268851 /nfs/dbraw/zinc/26/88/51/389268851.db2.gz RTGDUOOWSNHRAT-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CCCCO)c1[N+](=O)[O-] ZINC000331029885 389289062 /nfs/dbraw/zinc/28/90/62/389289062.db2.gz YRGYHCXTEFWQBH-UHFFFAOYSA-N 0 1 256.262 0.471 20 5 CCBDMN COC(=O)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000160332816 389386868 /nfs/dbraw/zinc/38/68/68/389386868.db2.gz IFSNBOFRGLIFRS-UHFFFAOYSA-N 0 1 256.218 0.001 20 5 CCBDMN Nc1nc(N[C@@H]2CCc3[nH]cnc3C2)ncc1[N+](=O)[O-] ZINC000370861081 389420349 /nfs/dbraw/zinc/42/03/49/389420349.db2.gz LJVFMAIAKFRUTC-ZCFIWIBFSA-N 0 1 275.272 0.490 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000351848078 389697143 /nfs/dbraw/zinc/69/71/43/389697143.db2.gz AOVWCBDEODUZCH-FSPLSTOPSA-N 0 1 254.246 0.079 20 5 CCBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000351874351 389705724 /nfs/dbraw/zinc/70/57/24/389705724.db2.gz ZVZDUGFBVRXTGD-RDDDGLTNSA-N 0 1 290.279 0.924 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000352013944 389735334 /nfs/dbraw/zinc/73/53/34/389735334.db2.gz KZOLJDIEVPSORT-VHSXEESVSA-N 0 1 295.343 0.651 20 5 CCBDMN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)[C@H](C)O1 ZINC000446073206 389930429 /nfs/dbraw/zinc/93/04/29/389930429.db2.gz XBIZZOBMYTVDIX-BLFANLJRSA-N 0 1 298.343 0.650 20 5 CCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[NH2+]C2)s1 ZINC000440839185 390045822 /nfs/dbraw/zinc/04/58/22/390045822.db2.gz ZTQRBOFIALNONC-SSDOTTSWSA-N 0 1 291.354 0.544 20 5 CCBDMN CC(C)(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440360971 390036062 /nfs/dbraw/zinc/03/60/62/390036062.db2.gz WDHBQAQQNVUHAZ-UHFFFAOYSA-N 0 1 279.343 0.672 20 5 CCBDMN CCc1n[nH]c(C(=O)N[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000547927646 390408743 /nfs/dbraw/zinc/40/87/43/390408743.db2.gz WIIBOVKCIMFWEJ-QMMMGPOBSA-N 0 1 293.327 0.847 20 5 CCBDMN CS(=O)(=O)NCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571417710 390734866 /nfs/dbraw/zinc/73/48/66/390734866.db2.gz SDNKMCWQXLZDGQ-NSHDSACASA-N 0 1 299.352 0.721 20 5 CCBDMN CO[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000449574408 533478222 /nfs/dbraw/zinc/47/82/22/533478222.db2.gz XDZRPPDWWHXTQF-VXGBXAGGSA-N 0 1 268.269 0.492 20 5 CCBDMN COc1cccc(CNCCn2cc([N+](=O)[O-])cn2)n1 ZINC000191365124 130226801 /nfs/dbraw/zinc/22/68/01/130226801.db2.gz FABYRWXNFHBTHZ-UHFFFAOYSA-N 0 1 277.284 0.985 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCO[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000268931947 132089768 /nfs/dbraw/zinc/08/97/68/132089768.db2.gz ZVNNNYXOZYPUBF-JGVFFNPUSA-N 0 1 268.273 0.876 20 5 CCBDMN CN(C)C(=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269217542 132133942 /nfs/dbraw/zinc/13/39/42/132133942.db2.gz YQRUFMYGRHMVND-UHFFFAOYSA-N 0 1 281.268 0.509 20 5 CCBDMN COc1ccc(CNC(=O)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000269238773 132139425 /nfs/dbraw/zinc/13/94/25/132139425.db2.gz HFXRLXVBGBDWDO-LBPRGKRZSA-N 0 1 295.295 0.208 20 5 CCBDMN O=C(NC[C@@H](O)C(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357354833 144084219 /nfs/dbraw/zinc/08/42/19/144084219.db2.gz ZJOJIFWEXHYFKZ-MRVPVSSYSA-N 0 1 276.195 0.656 20 5 CCBDMN CCc1nc([C@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000357930285 144134897 /nfs/dbraw/zinc/13/48/97/144134897.db2.gz CLMOFAOYXXICJA-LURJTMIESA-N 0 1 293.287 0.500 20 5 CCBDMN CC(C)OC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000372188304 144357343 /nfs/dbraw/zinc/35/73/43/144357343.db2.gz RLJOHNRYKMZLFD-HBNTYKKESA-N 0 1 272.301 0.304 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H](O)C2(CC2)C1 ZINC000372300085 144360494 /nfs/dbraw/zinc/36/04/94/144360494.db2.gz GKGZANMKYIJBMU-LLVKDONJSA-N 0 1 279.296 0.213 20 5 CCBDMN C[C@H]1COCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000372352504 144363475 /nfs/dbraw/zinc/36/34/75/144363475.db2.gz YGPPABHVCKNJQC-LLVKDONJSA-N 0 1 281.312 0.725 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)C[C@H]1CO ZINC000372478287 144369092 /nfs/dbraw/zinc/36/90/92/144369092.db2.gz PUSPIEKCVLGYRG-QWHCGFSZSA-N 0 1 266.297 0.831 20 5 CCBDMN O=C(NCCCCN1CCOCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284974757 196168510 /nfs/dbraw/zinc/16/85/10/196168510.db2.gz ATXMICPMGISFBY-UHFFFAOYSA-N 0 1 297.315 0.160 20 5 CCBDMN C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330466928 278372365 /nfs/dbraw/zinc/37/23/65/278372365.db2.gz XFKWCUXWCRUMPJ-QPUJVOFHSA-N 0 1 279.296 0.915 20 5 CCBDMN CCC[C@@H]1CNCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000359239484 278893675 /nfs/dbraw/zinc/89/36/75/278893675.db2.gz XWRTXPWTWQSRHD-SNVBAGLBSA-N 0 1 295.343 0.851 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCN(C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000354008533 280188135 /nfs/dbraw/zinc/18/81/35/280188135.db2.gz SRSQFCMKCUBOLR-QMMMGPOBSA-N 0 1 281.316 0.793 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCN(C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000354008533 280188137 /nfs/dbraw/zinc/18/81/37/280188137.db2.gz SRSQFCMKCUBOLR-QMMMGPOBSA-N 0 1 281.316 0.793 20 5 CCBDMN CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)[O-] ZINC000576285819 335183226 /nfs/dbraw/zinc/18/32/26/335183226.db2.gz WZTWRHXTBCRCIE-UHFFFAOYSA-N 0 1 256.262 0.586 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)n1 ZINC000582235948 328836148 /nfs/dbraw/zinc/83/61/48/328836148.db2.gz GKTCSPIYVAASHX-DTORHVGOSA-N 0 1 281.316 0.634 20 5 CCBDMN Cc1nc(=NC(=O)c2cc([N+](=O)[O-])cn2C)[nH]n1C ZINC000553844862 334400343 /nfs/dbraw/zinc/40/03/43/334400343.db2.gz YUKYCOOMEMFUQQ-UHFFFAOYSA-N 0 1 264.245 0.044 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN[C@@H](C)C2)n1 ZINC000581368183 336062348 /nfs/dbraw/zinc/06/23/48/336062348.db2.gz QHYDBFQLPOXINY-QMMMGPOBSA-N 0 1 267.289 0.245 20 5 CCBDMN Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000427168234 534512526 /nfs/dbraw/zinc/51/25/26/534512526.db2.gz CQQLNBZZLIPYIM-UHFFFAOYSA-N 0 1 280.200 0.080 20 5 CCBDMN O=C(N[C@@H]1CCCC[C@@H]1N1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000366296238 526886601 /nfs/dbraw/zinc/88/66/01/526886601.db2.gz XZYLLCOHESPATQ-FVCCEPFGSA-N 0 1 297.355 0.411 20 5 CCBDMN O=C(N[C@H]1CCc2[nH]cnc2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354239273 527073213 /nfs/dbraw/zinc/07/32/13/527073213.db2.gz PIHHXMTVRGIDCD-LURJTMIESA-N 0 1 276.256 0.328 20 5 CCBDMN COc1ccc(CNC(=O)CN(C)C)cc1[N+](=O)[O-] ZINC000263893603 536867702 /nfs/dbraw/zinc/86/77/02/536867702.db2.gz ONNJQCLIKVOEBR-UHFFFAOYSA-N 0 1 267.285 0.781 20 5 CCBDMN O=[N+]([O-])CCN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000791054129 581259228 /nfs/dbraw/zinc/25/92/28/581259228.db2.gz XTVNGGVDUOLREF-LBPRGKRZSA-N 0 1 258.318 0.923 20 5 CCBDMN O=C(OCC[C@@H]1CNC(=O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000792007121 581273642 /nfs/dbraw/zinc/27/36/42/581273642.db2.gz VRGKTOBJPBJQAU-ZETCQYMHSA-N 0 1 267.241 0.606 20 5 CCBDMN C[C@@H](C(=O)NOCCO)c1ccc([N+](=O)[O-])cc1F ZINC000787296589 581465906 /nfs/dbraw/zinc/46/59/06/581465906.db2.gz NFGFZLROUWXZSE-SSDOTTSWSA-N 0 1 272.232 0.878 20 5 CCBDMN Cc1cc(F)cc(C(=O)Nc2nn[nH]n2)c1[N+](=O)[O-] ZINC000758496124 581750541 /nfs/dbraw/zinc/75/05/41/581750541.db2.gz OIGXICXWXZELAR-UHFFFAOYSA-N 0 1 266.192 0.808 20 5 CCBDMN O=[N+]([O-])c1ccnn1CN1CCN(C2CC2)CC1 ZINC000749674987 582016697 /nfs/dbraw/zinc/01/66/97/582016697.db2.gz HLRWZSXJRQNHPQ-UHFFFAOYSA-N 0 1 251.290 0.529 20 5 CCBDMN C[C@H](C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000827442768 601114782 /nfs/dbraw/zinc/11/47/82/601114782.db2.gz SIFXSCGPFOQHEM-MRVPVSSYSA-N 0 1 256.262 0.444 20 5 CCBDMN CC(C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)[O-] ZINC000820025169 614297066 /nfs/dbraw/zinc/29/70/66/614297066.db2.gz YIFVHJKCAQUHFS-UHFFFAOYSA-N 0 1 283.284 0.552 20 5 CCBDMN COc1ccc(OC)c([C@H](O)[C@H](C)NCC[N+](=O)[O-])c1 ZINC000905416250 617276088 /nfs/dbraw/zinc/27/60/88/617276088.db2.gz ZMBVAEXHICMTRK-TVQRCGJNSA-N 0 1 284.312 0.992 20 5 CCBDMN C/C=C(\C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000967949019 613136805 /nfs/dbraw/zinc/13/68/05/613136805.db2.gz CQGNOQUNGZEBCB-DSEHVEKOSA-N 0 1 295.339 0.677 20 5 CCBDMN CC(=O)NCCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830148270 613735434 /nfs/dbraw/zinc/73/54/34/613735434.db2.gz OWEFRRMFKFZGDS-CYBMUJFWSA-N 0 1 281.312 0.696 20 5 CCBDMN CC(C)(C)n1ncnc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673686 614066821 /nfs/dbraw/zinc/06/68/21/614066821.db2.gz YPHXZKLCEJQHLT-HTQZYQBOSA-N 0 1 268.273 0.742 20 5 CCBDMN CC1(C(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000947006693 614425043 /nfs/dbraw/zinc/42/50/43/614425043.db2.gz WPXBRVPNOAWSQO-GHMZBOCLSA-N 0 1 295.339 0.559 20 5 CCBDMN CCCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839609006 614427690 /nfs/dbraw/zinc/42/76/90/614427690.db2.gz AOLWWTWSTKIXMT-QJPTWQEYSA-N 0 1 297.355 0.807 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CCN(OC)CC2)c1[N+](=O)[O-] ZINC000854859829 614461410 /nfs/dbraw/zinc/46/14/10/614461410.db2.gz MYURPHDMASSZQL-UHFFFAOYSA-N 0 1 297.315 0.590 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC[N@@H+]3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000597707504 614461725 /nfs/dbraw/zinc/46/17/25/614461725.db2.gz CWXQVAQVNQHDQP-VIFPVBQESA-N 0 1 293.327 0.801 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC[N@H+]3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000597707504 614461726 /nfs/dbraw/zinc/46/17/26/614461726.db2.gz CWXQVAQVNQHDQP-VIFPVBQESA-N 0 1 293.327 0.801 20 5 CCBDMN CC1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000973256346 614479062 /nfs/dbraw/zinc/47/90/62/614479062.db2.gz QPFNEANYHUTCMV-ZYUZMQFOSA-N 0 1 281.312 0.215 20 5 CCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C/C=C\Cl)C1 ZINC000950056126 614651234 /nfs/dbraw/zinc/65/12/34/614651234.db2.gz TTWZKWSEQYXWBN-ANDSXOESSA-N 0 1 287.747 0.937 20 5 CCBDMN CC1(C)CO[C@H](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000894495542 614735171 /nfs/dbraw/zinc/73/51/71/614735171.db2.gz TXDNFTAEGYRMQA-OPRDCNLKSA-N 0 1 256.302 0.973 20 5 CCBDMN CC1(C)[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000839689887 614863688 /nfs/dbraw/zinc/86/36/88/614863688.db2.gz ASTPZMRREZGGNP-VVULQXIFSA-N 0 1 254.286 0.581 20 5 CCBDMN CC1(C)[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000839690181 614870085 /nfs/dbraw/zinc/87/00/85/614870085.db2.gz HXYXXSMUKJOWEC-LXUNUROVSA-N 0 1 268.313 0.971 20 5 CCBDMN CCN(CC(=O)N1CCCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839762545 614927574 /nfs/dbraw/zinc/92/75/74/614927574.db2.gz RTKBQQWHSJQFTR-VXGBXAGGSA-N 0 1 297.355 0.903 20 5 CCBDMN CCOC(=O)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000834856705 615375887 /nfs/dbraw/zinc/37/58/87/615375887.db2.gz GWIAKWDYRXICLH-DJLDLDEBSA-N 0 1 256.258 0.063 20 5 CCBDMN CN(C(=O)C(C)(C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000955274369 615763272 /nfs/dbraw/zinc/76/32/72/615763272.db2.gz VAJKOUPPCSKURR-NXEZZACHSA-N 0 1 283.328 0.367 20 5 CCBDMN CC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000839765461 615902221 /nfs/dbraw/zinc/90/22/21/615902221.db2.gz SAZGHIPJSJUHFU-UTINFBMNSA-N 0 1 290.341 0.076 20 5 CCBDMN CN(C)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C(N)=O)c1 ZINC000840408673 616018291 /nfs/dbraw/zinc/01/82/91/616018291.db2.gz JZRRYAZODXJFDT-MWLCHTKSSA-N 0 1 292.295 0.455 20 5 CCBDMN CN(C)c1ncccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842361675 616037377 /nfs/dbraw/zinc/03/73/77/616037377.db2.gz VPNJRNVWMAJJHO-NXEZZACHSA-N 0 1 265.269 0.856 20 5 CCBDMN CN(CCC(=O)OC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839702419 616069155 /nfs/dbraw/zinc/06/91/55/616069155.db2.gz PAYIPNSDMLKAGH-RKDXNWHRSA-N 0 1 272.301 0.842 20 5 CCBDMN C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1)CCOCCO ZINC000882952556 616097628 /nfs/dbraw/zinc/09/76/28/616097628.db2.gz YAJZCELKWFMKQF-UHFFFAOYSA-N 0 1 283.328 0.947 20 5 CCBDMN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000874832851 616216902 /nfs/dbraw/zinc/21/69/02/616216902.db2.gz IQJVUSMOCNKAES-BDAKNGLRSA-N 0 1 279.300 0.627 20 5 CCBDMN CN1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000900288367 616500354 /nfs/dbraw/zinc/50/03/54/616500354.db2.gz VSFABRWNHFSHEO-TZMCWYRMSA-N 0 1 293.323 0.666 20 5 CCBDMN CO[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000832007872 616774519 /nfs/dbraw/zinc/77/45/19/616774519.db2.gz QWZXSCNRTPZFTH-YNEHKIRRSA-N 0 1 282.296 0.320 20 5 CCBDMN COCC1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000905969473 616824008 /nfs/dbraw/zinc/82/40/08/616824008.db2.gz AZCYOAANAMLHFY-GFCCVEGCSA-N 0 1 296.323 0.913 20 5 CCBDMN COC(=O)c1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC000842340768 616858251 /nfs/dbraw/zinc/85/82/51/616858251.db2.gz SJGOOJGFBKLEAY-HTRCEHHLSA-N 0 1 270.197 0.170 20 5 CCBDMN O=C(CC1CC1)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000972886347 623315647 /nfs/dbraw/zinc/31/56/47/623315647.db2.gz SHBXOJMRXRMRBI-GWOFURMSSA-N 0 1 281.312 0.215 20 5 CCBDMN O=C(C=C1CCC1)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973155681 623659968 /nfs/dbraw/zinc/65/99/68/623659968.db2.gz IXTNISKUBAHOQW-DDHJBXDOSA-N 0 1 293.323 0.525 20 5 CCBDMN O=C(NCCNCC[N+](=O)[O-])c1ccc(F)cc1 ZINC000905068858 634795720 /nfs/dbraw/zinc/79/57/20/634795720.db2.gz SQMZLJMKQFNQER-UHFFFAOYSA-N 0 1 255.249 0.422 20 5 CCBDMN O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC000979738638 630958764 /nfs/dbraw/zinc/95/87/64/630958764.db2.gz LKIYCGPEMAXMTE-QCNRFFRDSA-N 0 1 281.312 0.073 20 5 CCBDMN CC(=O)NC1(C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001017114531 649992802 /nfs/dbraw/zinc/99/28/02/649992802.db2.gz YNPUXLMXYLCCRC-VXGBXAGGSA-N 0 1 295.339 0.559 20 5 CCBDMN O=[N+]([O-])CCN[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000905364307 634854179 /nfs/dbraw/zinc/85/41/79/634854179.db2.gz DDXMJCCTKGHCOJ-VXGBXAGGSA-N 0 1 254.286 0.337 20 5 CCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCCCC1 ZINC000840673438 631714055 /nfs/dbraw/zinc/71/40/55/631714055.db2.gz ZFZJFIRKPHAPNC-OPRDCNLKSA-N 0 1 270.285 0.596 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000899603271 633843297 /nfs/dbraw/zinc/84/32/97/633843297.db2.gz HTZAFROCVFLGKV-ZXFLCMHBSA-N 0 1 282.218 0.425 20 5 CCBDMN Cc1ccc([C@@H](CNCC[N+](=O)[O-])N2CCOCC2)o1 ZINC000899864618 633911482 /nfs/dbraw/zinc/91/14/82/633911482.db2.gz KCVFMQXCGWUVJZ-GFCCVEGCSA-N 0 1 283.328 0.828 20 5 CCBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CN(C)CCN1C ZINC000900800067 634105216 /nfs/dbraw/zinc/10/52/16/634105216.db2.gz AXGGVGZJFOHOHY-KOLCDFICSA-N 0 1 295.343 0.287 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C(=O)C2CCC2)CC1 ZINC001009735639 650157423 /nfs/dbraw/zinc/15/74/23/650157423.db2.gz PSOOVAMAFNOBPS-GHMZBOCLSA-N 0 1 281.312 0.123 20 5 CCBDMN C/C(=C/C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC000991281445 635832660 /nfs/dbraw/zinc/83/26/60/635832660.db2.gz TYLLFYNOJIRTDU-CPUDXJHYSA-N 0 1 293.323 0.335 20 5 CCBDMN O=C(NC1CN(C(=O)C2=CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991278481 635832686 /nfs/dbraw/zinc/83/26/86/635832686.db2.gz HVKLXSZSCSHHFY-GHMZBOCLSA-N 0 1 279.296 0.089 20 5 CCBDMN CCC(=O)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001010651841 650250406 /nfs/dbraw/zinc/25/04/06/650250406.db2.gz DCPJYGUNWROYAE-GHMZBOCLSA-N 0 1 295.339 0.513 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC(N2CCCC2)C1 ZINC000912325990 636554467 /nfs/dbraw/zinc/55/44/67/636554467.db2.gz DGEXRFMQIKHIKE-UHFFFAOYSA-N 0 1 264.285 0.843 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CCC2)C1 ZINC000912923118 636703285 /nfs/dbraw/zinc/70/32/85/636703285.db2.gz ZRQHPEAXWHVLJZ-SNVBAGLBSA-N 0 1 279.300 0.098 20 5 CCBDMN CC(C)=C(F)C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010983673 650280936 /nfs/dbraw/zinc/28/09/36/650280936.db2.gz VPSABPOZHLNJLP-NXEZZACHSA-N 0 1 299.302 0.586 20 5 CCBDMN O=C(NC12CCN(CC1)C2)c1ccc([N+](=O)[O-])[nH]1 ZINC000913628549 637389223 /nfs/dbraw/zinc/38/92/23/637389223.db2.gz HZQJXCJJHDGUBQ-UHFFFAOYSA-N 0 1 250.258 0.501 20 5 CCBDMN O=C(NCCCn1cnc([N+](=O)[O-])n1)C(F)(F)F ZINC000151774785 637420085 /nfs/dbraw/zinc/42/00/85/637420085.db2.gz PSGVJTLZUXUMPR-UHFFFAOYSA-N 0 1 267.167 0.255 20 5 CCBDMN CC1(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCCC1 ZINC000996617863 638824965 /nfs/dbraw/zinc/82/49/65/638824965.db2.gz OVQHLUOKQCXVES-GHMZBOCLSA-N 0 1 295.339 0.559 20 5 CCBDMN O=C(NCC1CN(C(=O)c2ccoc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001796337 639341163 /nfs/dbraw/zinc/34/11/63/639341163.db2.gz PEHDDILYDZYZAZ-GHMZBOCLSA-N 0 1 293.279 0.133 20 5 CCBDMN O=C(NC[C@@H]1Cc2ccccc2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000839522733 640317193 /nfs/dbraw/zinc/31/71/93/640317193.db2.gz ZNOKYHCGMATZCK-HBNTYKKESA-N 0 1 262.265 0.772 20 5 CCBDMN C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Cn1cccn1 ZINC000839539670 640342275 /nfs/dbraw/zinc/34/22/75/640342275.db2.gz ROBVUSJATWBOMX-OPRDCNLKSA-N 0 1 252.274 0.301 20 5 CCBDMN COc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839559177 640344171 /nfs/dbraw/zinc/34/41/71/640344171.db2.gz WEYXUHOBQOVGMX-RKDXNWHRSA-N 0 1 295.251 0.885 20 5 CCBDMN O=C(CC1CCCCC1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839620735 640346078 /nfs/dbraw/zinc/34/60/78/640346078.db2.gz XOVBDOFDOVJVKH-VXGBXAGGSA-N 0 1 297.355 0.854 20 5 CCBDMN O=C(NCC[S@@](=O)Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839677791 640353840 /nfs/dbraw/zinc/35/38/40/640353840.db2.gz WZDAESIRLBGNBI-FKANQGBASA-N 0 1 296.348 0.717 20 5 CCBDMN O=C(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccccc1 ZINC000839684350 640354622 /nfs/dbraw/zinc/35/46/22/640354622.db2.gz NKQYWVMHLSZFLV-GHMZBOCLSA-N 0 1 277.280 0.797 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](OCc2ccccn2)C1 ZINC000839704286 640354653 /nfs/dbraw/zinc/35/46/53/640354653.db2.gz VFNAHOJCGGYBAK-JHJVBQTASA-N 0 1 291.307 0.864 20 5 CCBDMN COc1cnccc1[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839732502 640355010 /nfs/dbraw/zinc/35/50/10/640355010.db2.gz FIIHXHVNGXPXQZ-FXBDTBDDSA-N 0 1 265.269 0.933 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000839707333 640356808 /nfs/dbraw/zinc/35/68/08/640356808.db2.gz CVUCDRJRIJVFMZ-XUTVFYLZSA-N 0 1 282.218 0.566 20 5 CCBDMN O=C(N[C@@H](CO)c1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839725008 640358464 /nfs/dbraw/zinc/35/84/64/640358464.db2.gz PWMDKZXBBDXYRZ-OUAUKWLOSA-N 0 1 268.244 0.641 20 5 CCBDMN C[C@H]1OCC[C@]12CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C[C@@H](C)O2 ZINC000839750124 640360740 /nfs/dbraw/zinc/36/07/40/640360740.db2.gz ZDKNTTGZNKMMSF-CJJWORHMSA-N 0 1 284.312 0.447 20 5 CCBDMN O=C(N[C@@H](CCO)Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839758716 640362977 /nfs/dbraw/zinc/36/29/77/640362977.db2.gz XHQQRUAFZFDOIV-YNEHKIRRSA-N 0 1 278.308 0.762 20 5 CCBDMN O=C(NC[C@]1(CO)C[C@@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839775636 640363523 /nfs/dbraw/zinc/36/35/23/640363523.db2.gz GYBWKSFBINTZQX-BHPKHCPMSA-N 0 1 290.319 0.934 20 5 CCBDMN Cc1ncsc1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839782969 640364254 /nfs/dbraw/zinc/36/42/54/640364254.db2.gz MYHXBUIYKVXJQJ-HTQZYQBOSA-N 0 1 255.299 0.775 20 5 CCBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1c[nH]nn1 ZINC000807922958 640843056 /nfs/dbraw/zinc/84/30/56/640843056.db2.gz MMNMTDLEWZPOAC-UHFFFAOYSA-N 0 1 266.192 0.687 20 5 CCBDMN Cc1noc(C)c1C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673494 642787054 /nfs/dbraw/zinc/78/70/54/642787054.db2.gz QDRJKRXPSHKMTB-HTQZYQBOSA-N 0 1 268.225 0.683 20 5 CCBDMN O=C(NCCOC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000842313886 642891463 /nfs/dbraw/zinc/89/14/63/642891463.db2.gz XFPRJCDHCOZYMA-GHMZBOCLSA-N 0 1 278.264 0.625 20 5 CCBDMN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000105855514 643304115 /nfs/dbraw/zinc/30/41/15/643304115.db2.gz LPFBAUITESJXHN-JOYOIKCWSA-N 0 1 281.312 0.695 20 5 CCBDMN C[C@@H](C(=O)[O-])[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000851706584 643874237 /nfs/dbraw/zinc/87/42/37/643874237.db2.gz QWQZFHZPQLVVQE-KWQFWETISA-N 0 1 298.299 0.090 20 5 CCBDMN O=C(Nc1ccc2c(c1)CCNC2=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855246963 644297056 /nfs/dbraw/zinc/29/70/56/644297056.db2.gz KNFIIZUFGQRUJS-GHMZBOCLSA-N 0 1 275.264 0.576 20 5 CCBDMN C[C@@H](O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000856432150 644418051 /nfs/dbraw/zinc/41/80/51/644418051.db2.gz WZBBQDLZKTZGGB-HJQYOEGKSA-N 0 1 264.281 0.890 20 5 CCBDMN C[S@](=O)[C@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000857304443 644496849 /nfs/dbraw/zinc/49/68/49/644496849.db2.gz JGQPXQINANTFIR-IAKXHMKWSA-N 0 1 274.342 0.458 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H]1CCCCNC1=O ZINC000878051987 646863980 /nfs/dbraw/zinc/86/39/80/646863980.db2.gz IQJCHGYJDIJZJL-NSHDSACASA-N 0 1 295.343 0.700 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC=C[C@@H]1CO ZINC000880493928 647213676 /nfs/dbraw/zinc/21/36/76/647213676.db2.gz GWICKISJKRMTHM-SNVBAGLBSA-N 0 1 252.274 0.332 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(N2CCCOC2=O)CC1 ZINC000887711949 648147000 /nfs/dbraw/zinc/14/70/00/648147000.db2.gz XABRJGHFHNXBGN-GHMZBOCLSA-N 0 1 297.311 0.485 20 5 CCBDMN O=[N+]([O-])c1ccc(CN(C[C@H](O)CO)C2CC2)cc1 ZINC000930141138 648828753 /nfs/dbraw/zinc/82/87/53/648828753.db2.gz RZZJVCYUXLRRRX-ZDUSSCGKSA-N 0 1 266.297 0.912 20 5 CCBDMN O=[N+]([O-])CCN[C@H](CN1CCOCC1)c1ccccc1 ZINC000930188626 648835980 /nfs/dbraw/zinc/83/59/80/648835980.db2.gz YGPRMEUGXZUEPD-CQSZACIVSA-N 0 1 279.340 0.926 20 5 CCBDMN Cc1cc(C(=O)N2CCN(CC[N+](=O)[O-])[C@H](C)C2)n[nH]1 ZINC000930684053 648889859 /nfs/dbraw/zinc/88/98/59/648889859.db2.gz LAWRVCLEGUFPBN-SNVBAGLBSA-N 0 1 281.316 0.141 20 5 CCBDMN COc1nc(N2C[C@@H](C)N(C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164631640 719147751 /nfs/dbraw/zinc/14/77/51/719147751.db2.gz OAXXOHOTDZLKMJ-BDAKNGLRSA-N 0 1 281.316 0.922 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000301641268 719372161 /nfs/dbraw/zinc/37/21/61/719372161.db2.gz GOKUWDPDTWNGFT-VXGBXAGGSA-N 0 1 278.312 0.817 20 5 CCBDMN N=c1cc(C[NH3+])ncn1-c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001167362477 790971520 /nfs/dbraw/zinc/97/15/20/790971520.db2.gz XAXQSCUKRSLXLW-UHFFFAOYSA-N 0 1 289.251 0.417 20 5 CCBDMN O=C(OCc1ncnn1-c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672602 800049267 /nfs/dbraw/zinc/04/92/67/800049267.db2.gz CSHYJDGRVGXYOX-GHMZBOCLSA-N 0 1 288.263 0.976 20 5 CCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC(=N)N1CCN(C)CC1 ZINC001157915526 801520454 /nfs/dbraw/zinc/52/04/54/801520454.db2.gz QXUKDQKZWFCIFU-UHFFFAOYSA-N 0 1 294.315 0.131 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1COCCN1 ZINC001159043156 801746381 /nfs/dbraw/zinc/74/63/81/801746381.db2.gz PLMZHGFCNVERDN-MRVPVSSYSA-N 0 1 296.283 0.177 20 5 CCBDMN C[N@@H+]1CCO[C@@H](CNc2ncnc3[n-]cc([N+](=O)[O-])c32)C1 ZINC001162682974 802391765 /nfs/dbraw/zinc/39/17/65/802391765.db2.gz MBRSCZOPRPNHFP-QMMMGPOBSA-N 0 1 292.299 0.560 20 5 CCBDMN C[N@H+]1CCO[C@@H](CNc2ncnc3[n-]cc([N+](=O)[O-])c32)C1 ZINC001162682974 802391774 /nfs/dbraw/zinc/39/17/74/802391774.db2.gz MBRSCZOPRPNHFP-QMMMGPOBSA-N 0 1 292.299 0.560 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2ccc([N+](=O)[O-])cn2)S1 ZINC001163659268 802582902 /nfs/dbraw/zinc/58/29/02/802582902.db2.gz GMIHPYKNLUPZIK-ZETCQYMHSA-N 0 1 254.227 0.711 20 5 CCBDMN COC(=O)[C@@H]1CNCCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001165440039 802844220 /nfs/dbraw/zinc/84/42/20/802844220.db2.gz XEJVFCGFKXCUCF-JTQLQIEISA-N 0 1 294.311 0.558 20 5 CCBDMN CC(=O)N1CC(Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001229378682 814950902 /nfs/dbraw/zinc/95/09/02/814950902.db2.gz JCDLVYJQMORMOM-UHFFFAOYSA-N 0 1 268.229 0.008 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCc1nn[nH]n1 ZINC001223026992 804947781 /nfs/dbraw/zinc/94/77/81/804947781.db2.gz LFTZUUDWZVQOMH-ZCFIWIBFSA-N 0 1 267.249 0.218 20 5 CCBDMN C[N@@H+]1CCC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228144961 805417406 /nfs/dbraw/zinc/41/74/06/805417406.db2.gz XQVUGZYHYJCFFC-ZETCQYMHSA-N 0 1 254.246 0.563 20 5 CCBDMN C[N@H+]1CCC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228144961 805417410 /nfs/dbraw/zinc/41/74/10/805417410.db2.gz XQVUGZYHYJCFFC-ZETCQYMHSA-N 0 1 254.246 0.563 20 5 CCBDMN CC[N@@H+]1CC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228142217 805417587 /nfs/dbraw/zinc/41/75/87/805417587.db2.gz BCFVQUHBOQDDRB-ZETCQYMHSA-N 0 1 254.246 0.563 20 5 CCBDMN CC[N@H+]1CC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228142217 805417594 /nfs/dbraw/zinc/41/75/94/805417594.db2.gz BCFVQUHBOQDDRB-ZETCQYMHSA-N 0 1 254.246 0.563 20 5 CCBDMN Cc1nc(O[C@@H](C[N+](=O)[O-])C2CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378768 805527973 /nfs/dbraw/zinc/52/79/73/805527973.db2.gz JSVQMKBQRBGDKH-ZETCQYMHSA-N 0 1 284.228 0.833 20 5 CCBDMN COC(=O)c1c[n-]c(=O)nc1O[C@H](C)C[N+](C)(C)C ZINC001229870641 805562098 /nfs/dbraw/zinc/56/20/98/805562098.db2.gz LGYDXAZNHKXZJS-MRVPVSSYSA-O 0 1 270.309 0.442 20 5 CCBDMN O=[N+]([O-])c1nc[nH]c1-c1nnc([C@@H]2CCOC2)o1 ZINC001255587638 808410726 /nfs/dbraw/zinc/41/07/26/808410726.db2.gz ULXGYLKSJXBOKB-RXMQYKEDSA-N 0 1 251.202 0.872 20 5 CCBDMN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000697927823 815221752 /nfs/dbraw/zinc/22/17/52/815221752.db2.gz VWFWQKMYKVOPQH-ZETCQYMHSA-N 0 1 291.304 0.607 20 5 CCBDMN CC(C)c1nnc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001126932058 815307963 /nfs/dbraw/zinc/30/79/63/815307963.db2.gz GUKLLQYMZCXQKF-RKDXNWHRSA-N 0 1 297.315 0.064 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2CCF ZINC001029304677 814060624 /nfs/dbraw/zinc/06/06/24/814060624.db2.gz GCGJQBBRVLFIEP-LMLFDSFASA-N 0 1 271.292 0.296 20 5 CCBDMN CCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062365187 819911055 /nfs/dbraw/zinc/91/10/55/819911055.db2.gz XUGCSYJZZVCHSF-RKDXNWHRSA-N 0 1 269.301 0.217 20 5 CCBDMN CCC(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005249 836094861 /nfs/dbraw/zinc/09/48/61/836094861.db2.gz AAWMSHAEBBSENA-NWDGAFQWSA-N 0 1 269.345 0.986 20 5 CCBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC(N3CC(F)C3)C2)C1 ZINC001169005982 836095811 /nfs/dbraw/zinc/09/58/11/836095811.db2.gz DUTREZXBLLYCQD-KOLCDFICSA-N 0 1 257.309 0.770 20 5 CCBDMN O=C1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]2CCCN12 ZINC001169038594 836111692 /nfs/dbraw/zinc/11/16/92/836111692.db2.gz ZZLWYXCGUVFGIT-QJPTWQEYSA-N 0 1 267.329 0.738 20 5 CCBDMN O=C1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]2CCCN12 ZINC001169038596 836112532 /nfs/dbraw/zinc/11/25/32/836112532.db2.gz ZZLWYXCGUVFGIT-UTUOFQBUSA-N 0 1 267.329 0.738 20 5 CCBDMN CC(=O)N(C)C1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037986 836112572 /nfs/dbraw/zinc/11/25/72/836112572.db2.gz UQPFXGJZJOFTCI-QWRGUYRKSA-N 0 1 255.318 0.594 20 5 CCBDMN COCCOC1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169050526 836116417 /nfs/dbraw/zinc/11/64/17/836116417.db2.gz BHXKATVVWBMZOU-QWRGUYRKSA-N 0 1 258.318 0.779 20 5 CCBDMN O=[N+]([O-])c1c[nH]c2nc(NC[C@H]3COCCN3)ccc12 ZINC001170036285 836755878 /nfs/dbraw/zinc/75/58/78/836755878.db2.gz XAFGSMOVQJPJOJ-QMMMGPOBSA-N 0 1 277.284 0.871 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1COCCN1 ZINC001170042207 836771435 /nfs/dbraw/zinc/77/14/35/836771435.db2.gz ANRQQOVQQXIKHS-SECBINFHSA-N 0 1 295.295 0.782 20 5 CCBDMN CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC001131172741 838011889 /nfs/dbraw/zinc/01/18/89/838011889.db2.gz SBJVSSOASWOXIR-NXEZZACHSA-N 0 1 288.267 0.874 20 5 CCBDMN CCNC(=O)[C@@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105855547 838615893 /nfs/dbraw/zinc/61/58/93/838615893.db2.gz GWEQCTNVDBPBNS-BXKDBHETSA-N 0 1 281.312 0.742 20 5 CCBDMN Cc1nc(N2CCCN(CCO)CC2)ncc1[N+](=O)[O-] ZINC001185273437 844393668 /nfs/dbraw/zinc/39/36/68/844393668.db2.gz RPDWHOBYASTAJP-UHFFFAOYSA-N 0 1 281.316 0.198 20 5 CCBDMN CN1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001187677879 844744570 /nfs/dbraw/zinc/74/45/70/844744570.db2.gz PHUGFQVGHNPVQB-ZETCQYMHSA-N 0 1 265.273 0.205 20 5 CCBDMN O=C(CN1CCCC1)NCCNc1ncccc1[N+](=O)[O-] ZINC001093652782 841404556 /nfs/dbraw/zinc/40/45/56/841404556.db2.gz YAPXCWXGVOOLFI-UHFFFAOYSA-N 0 1 293.327 0.614 20 5 CCBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(C(N)=O)C1 ZINC001173235394 842021411 /nfs/dbraw/zinc/02/14/11/842021411.db2.gz WNKKMHPJRZSQIJ-SECBINFHSA-N 0 1 263.297 0.943 20 5 CCBDMN C[C@H]1[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCN1C ZINC001178224226 842795847 /nfs/dbraw/zinc/79/58/47/842795847.db2.gz FFAHKWXVHQCVLG-BQBZGAKWSA-N 0 1 253.262 0.140 20 5 CCBDMN Cc1c[nH]c(=O)c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC001179964534 843096101 /nfs/dbraw/zinc/09/61/01/843096101.db2.gz DZRNJZJVGOVSJK-UHFFFAOYSA-N 0 1 277.240 0.657 20 5 CCBDMN O=C(NCc1nnc[nH]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000037921222 849278104 /nfs/dbraw/zinc/27/81/04/849278104.db2.gz RIOFGACPQNZSCZ-UHFFFAOYSA-N 0 1 265.204 0.782 20 5 CCBDMN CC(C)=CCN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042710714 850740495 /nfs/dbraw/zinc/74/04/95/850740495.db2.gz GRJCRIAPJUBGSK-VXGBXAGGSA-N 0 1 267.329 0.760 20 5 CCBDMN CN(CCNC(=O)c1cnn[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001100400520 855160950 /nfs/dbraw/zinc/16/09/50/855160950.db2.gz HMSIEHIHALBZQN-UHFFFAOYSA-N 0 1 290.283 0.579 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC001324347608 912791204 /nfs/dbraw/zinc/79/12/04/912791204.db2.gz AARKRISHNJAQLR-ZETCQYMHSA-N 0 1 290.283 0.339 20 5 CCBDMN Cc1nc(N2CCN(C(C)(C)CO)CC2)ncc1[N+](=O)[O-] ZINC001325180711 913261916 /nfs/dbraw/zinc/26/19/16/913261916.db2.gz GDCLFWBDJXHFTC-UHFFFAOYSA-N 0 1 295.343 0.586 20 5 CCBDMN O=C(NCc1ccnc(-c2ccccn2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001288342245 906025667 /nfs/dbraw/zinc/02/56/67/906025667.db2.gz VZORAMYMERYVBP-ZYHUDNBSSA-N 0 1 299.290 0.820 20 5 CCBDMN CCCCC1(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001292717670 906331358 /nfs/dbraw/zinc/33/13/58/906331358.db2.gz KETWFGBRPONHKL-GHMZBOCLSA-N 0 1 297.355 0.854 20 5 CCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)=O ZINC001296502605 906924061 /nfs/dbraw/zinc/92/40/61/906924061.db2.gz WFETYLCPZSVOAI-NXEZZACHSA-N 0 1 257.290 0.026 20 5 CCBDMN CCCCCC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001297201050 907041147 /nfs/dbraw/zinc/04/11/47/907041147.db2.gz MYRIWJKRTQIESZ-VXGBXAGGSA-N 0 1 297.355 0.807 20 5 CCBDMN Cc1[nH]ncc1CN(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC001299813006 907403036 /nfs/dbraw/zinc/40/30/36/907403036.db2.gz DNHMKDRGUIQDAJ-UHFFFAOYSA-N 0 1 278.272 0.481 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001307829955 908355538 /nfs/dbraw/zinc/35/55/38/908355538.db2.gz VCKQRETVXPSIDF-JQWIXIFHSA-N 0 1 282.296 0.259 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1C[C@H](O)[C@H](CO)C1 ZINC001307829955 908355554 /nfs/dbraw/zinc/35/55/54/908355554.db2.gz VCKQRETVXPSIDF-JQWIXIFHSA-N 0 1 282.296 0.259 20 5 CCBDMN O=C([O-])C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC001333571998 919011131 /nfs/dbraw/zinc/01/11/31/919011131.db2.gz OOEBAXAEOCYEJL-NSHDSACASA-N 0 1 298.299 0.091 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC001343450962 923321559 /nfs/dbraw/zinc/32/15/59/923321559.db2.gz JJQMUJBYILIWAC-UHFFFAOYSA-N 0 1 291.271 0.256 20 5 CCBDMN O=C(NC1([C@@H]2CCCO2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001353431796 925833089 /nfs/dbraw/zinc/83/30/89/925833089.db2.gz CKZOWJVBNIQPPU-BBBLOLIVSA-N 0 1 254.286 0.870 20 5 CCBDMN CC(C)=CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC001354033051 925990675 /nfs/dbraw/zinc/99/06/75/925990675.db2.gz BLUSVXSVHQXJGZ-HMUNZLOLSA-N 0 1 293.323 0.191 20 5 CCBDMN CCCC(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001357505097 926551427 /nfs/dbraw/zinc/55/14/27/926551427.db2.gz SKBQEVBBBFUTJA-HWKXXFMVSA-N 0 1 269.301 0.240 20 5 CCBDMN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001360506639 926947210 /nfs/dbraw/zinc/94/72/10/926947210.db2.gz HHLZXAREBIFYSA-ZYUZMQFOSA-N 0 1 290.341 0.124 20 5 CCBDMN COCC[N@H+](CCC(=O)[O-])Cc1cccnc1[N+](=O)[O-] ZINC001594011364 957002890 /nfs/dbraw/zinc/00/28/90/957002890.db2.gz MVEWHGARKFXFJW-UHFFFAOYSA-N 0 1 283.284 0.913 20 5 CCBDMN COCC[N@@H+](CCC(=O)[O-])Cc1cccnc1[N+](=O)[O-] ZINC001594011364 957002908 /nfs/dbraw/zinc/00/29/08/957002908.db2.gz MVEWHGARKFXFJW-UHFFFAOYSA-N 0 1 283.284 0.913 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)C(=O)[O-] ZINC000054069395 957520846 /nfs/dbraw/zinc/52/08/46/957520846.db2.gz JYASROLYHIDYCT-SSDOTTSWSA-N 0 1 256.262 0.505 20 5 CCBDMN CN(CC[N@@H+](C)CCO)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001598496701 992375404 /nfs/dbraw/zinc/37/54/04/992375404.db2.gz ZJVZRKNWSPANFA-UHFFFAOYSA-N 0 1 298.299 0.048 20 5 CCBDMN CCc1nn(C)c(NC[C@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC000091560470 349467522 /nfs/dbraw/zinc/46/75/22/349467522.db2.gz SLZJBVMMYYODDO-JTQLQIEISA-N 0 1 296.375 0.548 20 5 CCBDMN CN(CCOCCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000337554369 214153957 /nfs/dbraw/zinc/15/39/57/214153957.db2.gz VAETVVOQZXCJHR-UHFFFAOYSA-N 0 1 270.285 0.741 20 5 CCBDMN O=C(NC[C@H]1C[C@@H](O)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600506622 361999271 /nfs/dbraw/zinc/99/92/71/361999271.db2.gz WUUQTSJVXQCKAR-OTSSQURYSA-N 0 1 290.279 0.972 20 5 CCBDMN C[C@H](C[S@](C)=O)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000126217890 187225286 /nfs/dbraw/zinc/22/52/86/187225286.db2.gz RCOOLAZSZUMTET-DYBLOJMWSA-N 0 1 274.346 0.490 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000600694632 362035250 /nfs/dbraw/zinc/03/52/50/362035250.db2.gz KGKMEZPGNKLQNF-VIFPVBQESA-N 0 1 266.301 0.757 20 5 CCBDMN CN(Cc1cnn(C)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304287400 530017959 /nfs/dbraw/zinc/01/79/59/530017959.db2.gz FXSKOTSREWADOO-GFCCVEGCSA-N 0 1 294.315 0.018 20 5 CCBDMN CC(=O)NCCN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602851555 362839639 /nfs/dbraw/zinc/83/96/39/362839639.db2.gz MDFDZOBVHWHGOL-UHFFFAOYSA-N 0 1 269.305 0.168 20 5 CCBDMN CC(C)OC(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343096798 137115142 /nfs/dbraw/zinc/11/51/42/137115142.db2.gz GAWDOBJCDQRRSE-UHFFFAOYSA-N 0 1 270.245 0.389 20 5 CCBDMN O=C(NCCNc1ccccn1)c1[nH]ncc1[N+](=O)[O-] ZINC000343175855 137119064 /nfs/dbraw/zinc/11/90/64/137119064.db2.gz WJONAHBQAAGKJO-UHFFFAOYSA-N 0 1 276.256 0.555 20 5 CCBDMN O=C(NCCNc1cccc[nH+]1)c1[n-]ncc1[N+](=O)[O-] ZINC000343175855 137119065 /nfs/dbraw/zinc/11/90/65/137119065.db2.gz WJONAHBQAAGKJO-UHFFFAOYSA-N 0 1 276.256 0.555 20 5 CCBDMN Cc1nccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000343194681 137120069 /nfs/dbraw/zinc/12/00/69/137120069.db2.gz RHUGMAMDRLGMAG-UHFFFAOYSA-N 0 1 262.229 0.346 20 5 CCBDMN C[C@@H](O)C[C@@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343961240 137170594 /nfs/dbraw/zinc/17/05/94/137170594.db2.gz SZRVKHBGHVFEJF-RNFRBKRXSA-N 0 1 256.262 0.455 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344018014 137173711 /nfs/dbraw/zinc/17/37/11/137173711.db2.gz FLECJTDGMURSCA-ATZCPNFKSA-N 0 1 266.301 0.531 20 5 CCBDMN C[C@H](CO)N1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000345674626 137245385 /nfs/dbraw/zinc/24/53/85/137245385.db2.gz IUPCFCOJBLOZKZ-SNVBAGLBSA-N 0 1 296.327 0.452 20 5 CCBDMN CCCc1n[nH]c(C(=O)NCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000345713261 137247705 /nfs/dbraw/zinc/24/77/05/137247705.db2.gz AVFLKZNMTWDLLW-UHFFFAOYSA-N 0 1 293.287 0.361 20 5 CCBDMN O=C(NCC[C@@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC000345725331 137248575 /nfs/dbraw/zinc/24/85/75/137248575.db2.gz UAVQWLODAKHKNW-SSDOTTSWSA-N 0 1 254.246 0.474 20 5 CCBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000044620142 348323094 /nfs/dbraw/zinc/32/30/94/348323094.db2.gz CZWTVMANVCRADA-JTQLQIEISA-N 0 1 295.295 0.989 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000045297380 348335436 /nfs/dbraw/zinc/33/54/36/348335436.db2.gz KQKWETPUHOYCML-YFKPBYRVSA-N 0 1 277.240 0.075 20 5 CCBDMN CC(C)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000045430540 348336239 /nfs/dbraw/zinc/33/62/39/348336239.db2.gz CWQIFRUCOXMVHX-UHFFFAOYSA-N 0 1 281.316 0.344 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2C)n1 ZINC000347693911 137350584 /nfs/dbraw/zinc/35/05/84/137350584.db2.gz XTABPXLKYMOZHG-QMMMGPOBSA-N 0 1 267.289 0.152 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(CC2CC2)CC1 ZINC000055668349 348580302 /nfs/dbraw/zinc/58/03/02/348580302.db2.gz VRIMAJSVOQTQDW-UHFFFAOYSA-N 0 1 293.327 0.346 20 5 CCBDMN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@H](C)N1C ZINC000339616220 215271539 /nfs/dbraw/zinc/27/15/39/215271539.db2.gz ZDYCGLYHDWIXBQ-AOOOYVTPSA-N 0 1 267.333 0.853 20 5 CCBDMN NC(=O)c1ccc(NCCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000080590274 349221074 /nfs/dbraw/zinc/22/10/74/349221074.db2.gz METLVBOSONREGY-UHFFFAOYSA-N 0 1 276.256 0.466 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C[C@@H](O)C2CC2)c1[N+](=O)[O-] ZINC000089879956 349410128 /nfs/dbraw/zinc/41/01/28/349410128.db2.gz VRMSODNJAUWTOT-SECBINFHSA-N 0 1 282.300 0.723 20 5 CCBDMN CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCC[N@@H+](C)C1 ZINC000125088824 350114351 /nfs/dbraw/zinc/11/43/51/350114351.db2.gz CMHAXWPISWTBLD-SECBINFHSA-N 0 1 281.316 0.495 20 5 CCBDMN CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCCN(C)C1 ZINC000125088824 350114353 /nfs/dbraw/zinc/11/43/53/350114353.db2.gz CMHAXWPISWTBLD-SECBINFHSA-N 0 1 281.316 0.495 20 5 CCBDMN O=C(NC1(CO)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000352425424 137492518 /nfs/dbraw/zinc/49/25/18/137492518.db2.gz KZTWBCPFCRDKAQ-UHFFFAOYSA-N 0 1 254.246 0.353 20 5 CCBDMN Cc1ccc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000155020984 350607621 /nfs/dbraw/zinc/60/76/21/350607621.db2.gz IRTQFUWVYGXTJT-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000155074445 350609357 /nfs/dbraw/zinc/60/93/57/350609357.db2.gz JCOPTCTVYREQAI-UHFFFAOYSA-N 0 1 297.315 0.431 20 5 CCBDMN CN(Cc1ccco1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174660041 351097393 /nfs/dbraw/zinc/09/73/93/351097393.db2.gz DZRFWTUKDVHTQS-LLVKDONJSA-N 0 1 280.284 0.877 20 5 CCBDMN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123481532 187094339 /nfs/dbraw/zinc/09/43/39/187094339.db2.gz WAYCDDZYUBJTOI-ZETCQYMHSA-N 0 1 291.304 0.750 20 5 CCBDMN CN(C)CC(=O)N1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195507835 351916330 /nfs/dbraw/zinc/91/63/30/351916330.db2.gz QTSCLMMLZXUGSX-UHFFFAOYSA-N 0 1 299.356 0.262 20 5 CCBDMN Cc1cc(C(=O)NC[C@H]2COCCN2)ccc1[N+](=O)[O-] ZINC000235827781 352188631 /nfs/dbraw/zinc/18/86/31/352188631.db2.gz BDABFCMQPLAVKN-NSHDSACASA-N 0 1 279.296 0.621 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000236045181 352191268 /nfs/dbraw/zinc/19/12/68/352191268.db2.gz QNQFIUBQCSYSSE-MRVPVSSYSA-N 0 1 299.714 0.966 20 5 CCBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1COCCN1 ZINC000236398758 352194085 /nfs/dbraw/zinc/19/40/85/352194085.db2.gz SHQHHUNGWVZVGX-NSHDSACASA-N 0 1 279.296 0.242 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@](C)(O)C2)c1[N+](=O)[O-] ZINC000267273582 352756213 /nfs/dbraw/zinc/75/62/13/352756213.db2.gz SYXRWLQOAIFZDL-JTQLQIEISA-N 0 1 254.246 0.223 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000269493839 352832035 /nfs/dbraw/zinc/83/20/35/352832035.db2.gz MBTXJJYLHOWAGC-UHFFFAOYSA-N 0 1 283.288 0.041 20 5 CCBDMN CN(C)c1ncc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1C ZINC000270765997 352980605 /nfs/dbraw/zinc/98/06/05/352980605.db2.gz ZVZGSCHPIFFWPQ-UHFFFAOYSA-N 0 1 293.287 0.047 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@H](CO)C1 ZINC000272709620 353087053 /nfs/dbraw/zinc/08/70/53/353087053.db2.gz XFFNLAPLGLPVJU-LLVKDONJSA-N 0 1 282.252 0.134 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CCN(C)C(=O)C2)c1[N+](=O)[O-] ZINC000152895108 188051685 /nfs/dbraw/zinc/05/16/85/188051685.db2.gz BAEFPPKMJMFICF-UHFFFAOYSA-N 0 1 295.299 0.185 20 5 CCBDMN CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000275065105 353182413 /nfs/dbraw/zinc/18/24/13/353182413.db2.gz VIOKFRRDFZVKNY-UHFFFAOYSA-N 0 1 294.311 0.862 20 5 CCBDMN COC(=O)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000154128395 188124665 /nfs/dbraw/zinc/12/46/65/188124665.db2.gz ZNJNDTHUSXGNBF-SSDOTTSWSA-N 0 1 270.245 0.245 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC(C)(O)C2)c1[N+](=O)[O-] ZINC000277583520 353253104 /nfs/dbraw/zinc/25/31/04/353253104.db2.gz DIAGGONDMALTOI-UHFFFAOYSA-N 0 1 268.273 0.477 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2C(=O)NC)c1[N+](=O)[O-] ZINC000277989887 353276869 /nfs/dbraw/zinc/27/68/69/353276869.db2.gz OGTVVSUGLFQQBQ-QMMMGPOBSA-N 0 1 295.299 0.231 20 5 CCBDMN O=[N+]([O-])c1cccc(CN2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000287195000 353631673 /nfs/dbraw/zinc/63/16/73/353631673.db2.gz DEVKJEYTZAIUAW-CHWSQXEVSA-N 0 1 266.297 0.912 20 5 CCBDMN O=[N+]([O-])c1cccnc1N1CCN(Cc2c[nH]nn2)CC1 ZINC000298207309 353962592 /nfs/dbraw/zinc/96/25/92/353962592.db2.gz YRLJZFYHUUTKLR-UHFFFAOYSA-N 0 1 289.299 0.430 20 5 CCBDMN CC[C@@H]1CO[C@H](C)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331283833 354517263 /nfs/dbraw/zinc/51/72/63/354517263.db2.gz WRLGLVQECLFVBO-WZRBSPASSA-N 0 1 298.343 0.652 20 5 CCBDMN Cc1noc([C@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000331370901 354554680 /nfs/dbraw/zinc/55/46/80/354554680.db2.gz AUCUJXGKFOBCPV-JTQLQIEISA-N 0 1 292.299 0.972 20 5 CCBDMN Cn1c(C(=O)N[C@H]2CCc3nc[nH]c3C2)ccc1[N+](=O)[O-] ZINC000344347773 355790970 /nfs/dbraw/zinc/79/09/70/355790970.db2.gz OKGCVTKGTCOSSY-QMMMGPOBSA-N 0 1 289.295 0.944 20 5 CCBDMN C[C@H]1[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345332487 355800638 /nfs/dbraw/zinc/80/06/38/355800638.db2.gz YHFYZECTGORGPY-YUMQZZPRSA-N 0 1 267.289 0.530 20 5 CCBDMN C[C@H]1[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCCN1C ZINC000345332487 355800653 /nfs/dbraw/zinc/80/06/53/355800653.db2.gz YHFYZECTGORGPY-YUMQZZPRSA-N 0 1 267.289 0.530 20 5 CCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCNC(C)(C)C1 ZINC000360744539 138008839 /nfs/dbraw/zinc/00/88/39/138008839.db2.gz JFOYNOVKTSUIPE-UHFFFAOYSA-N 0 1 267.289 0.152 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2C[C@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000360829005 138012918 /nfs/dbraw/zinc/01/29/18/138012918.db2.gz AMPNPFXOXPVYAA-IUCAKERBSA-N 0 1 296.327 0.971 20 5 CCBDMN C[C@H](O)CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360916594 138015963 /nfs/dbraw/zinc/01/59/63/138015963.db2.gz VCKVYDMPZFJGCQ-ZETCQYMHSA-N 0 1 254.242 0.753 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000609345075 363491183 /nfs/dbraw/zinc/49/11/83/363491183.db2.gz VOHDBEHKRBHGNP-SECBINFHSA-N 0 1 293.327 0.603 20 5 CCBDMN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1nn[nH]n1 ZINC000532397382 358509921 /nfs/dbraw/zinc/50/99/21/358509921.db2.gz RTGNOLDEIHBINB-MRVPVSSYSA-N 0 1 291.271 0.774 20 5 CCBDMN NC(=O)CN(CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000610447448 363559760 /nfs/dbraw/zinc/55/97/60/363559760.db2.gz PXJFSDCAZUKPSW-UHFFFAOYSA-N 0 1 281.316 0.521 20 5 CCBDMN O=C(NCCn1ccnc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356345067 356749710 /nfs/dbraw/zinc/74/97/10/356749710.db2.gz RJCXABFBZFSFAO-UHFFFAOYSA-N 0 1 276.252 0.927 20 5 CCBDMN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000369388164 357344914 /nfs/dbraw/zinc/34/49/14/357344914.db2.gz FOLFLOFZQRGIRS-MXWKQRLJSA-N 0 1 294.311 0.592 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000450792431 236112464 /nfs/dbraw/zinc/11/24/64/236112464.db2.gz NMTWRIOQROWAPW-BETUJISGSA-N 0 1 292.339 0.995 20 5 CCBDMN CCc1n[nH]c(NC(=O)c2ccnc(NC)c2[N+](=O)[O-])n1 ZINC000579975362 359073639 /nfs/dbraw/zinc/07/36/39/359073639.db2.gz QBIYLQUIJWRWDF-UHFFFAOYSA-N 0 1 291.271 0.386 20 5 CCBDMN CCc1nc(NC(=O)c2ccnc(NC)c2[N+](=O)[O-])n[nH]1 ZINC000579975362 359073645 /nfs/dbraw/zinc/07/36/45/359073645.db2.gz QBIYLQUIJWRWDF-UHFFFAOYSA-N 0 1 291.271 0.386 20 5 CCBDMN CCC[C@@H](C)[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000584059006 359165271 /nfs/dbraw/zinc/16/52/71/359165271.db2.gz WXXCWCIZBRBXRA-SFYZADRCSA-N 0 1 270.289 0.845 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CCc2nc[nH]c2C1 ZINC000590379548 359447082 /nfs/dbraw/zinc/44/70/82/359447082.db2.gz VYEZHJRIXMRSER-UHFFFAOYSA-N 0 1 273.252 0.911 20 5 CCBDMN C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000563107727 291194169 /nfs/dbraw/zinc/19/41/69/291194169.db2.gz YVFXNRCAVRDGPF-XCBNKYQSSA-N 0 1 280.284 0.423 20 5 CCBDMN C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000592296123 359813837 /nfs/dbraw/zinc/81/38/37/359813837.db2.gz CFCHWSVPHOPRGE-QMMMGPOBSA-N 0 1 280.284 0.377 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CCN(Cc3nnc[nH]3)CC2)s1 ZINC000593507419 360101974 /nfs/dbraw/zinc/10/19/74/360101974.db2.gz FEOPFVCMGRMPOQ-UHFFFAOYSA-N 0 1 295.328 0.492 20 5 CCBDMN C[C@@H]1[C@H](C)N(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C)CN1C ZINC000593187285 360051038 /nfs/dbraw/zinc/05/10/38/360051038.db2.gz IWITWPCNUOOZSS-AXFHLTTASA-N 0 1 295.343 0.731 20 5 CCBDMN CC(F)(F)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593600317 360119438 /nfs/dbraw/zinc/11/94/38/360119438.db2.gz IPMSNIHTPDOCKS-UHFFFAOYSA-N 0 1 281.240 0.923 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@H](C)CCO)c1[N+](=O)[O-] ZINC000593883175 360193311 /nfs/dbraw/zinc/19/33/11/360193311.db2.gz VGUMSYRBYUYVHD-ZCFIWIBFSA-N 0 1 256.262 0.469 20 5 CCBDMN C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CC(C)C1 ZINC000594323453 360274049 /nfs/dbraw/zinc/27/40/49/360274049.db2.gz VWGYFHBKFACBOB-JTQLQIEISA-N 0 1 281.316 0.248 20 5 CCBDMN C[C@@H](CCCO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594758636 360377005 /nfs/dbraw/zinc/37/70/05/360377005.db2.gz IBBAOBPNSGOVNV-QMMMGPOBSA-N 0 1 289.313 0.429 20 5 CCBDMN COc1cc(CN[C@H]2C[C@H](O)C2)c([N+](=O)[O-])cc1O ZINC000595000972 360432216 /nfs/dbraw/zinc/43/22/16/360432216.db2.gz OCQBAWJECZOQNG-KYZUINATSA-N 0 1 268.269 0.922 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1CCC(O)(CO)CC1 ZINC000595735235 360634341 /nfs/dbraw/zinc/63/43/41/360634341.db2.gz FKAIEZTUXIRULL-UHFFFAOYSA-N 0 1 296.323 0.793 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2CCC(CO)(CO)C2)c1 ZINC000595799194 360658238 /nfs/dbraw/zinc/65/82/38/360658238.db2.gz JOASONFALXTTKC-UHFFFAOYSA-N 0 1 296.323 0.650 20 5 CCBDMN O=C(N[C@H]1CCNC1=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000597858435 361271380 /nfs/dbraw/zinc/27/13/80/361271380.db2.gz YJNLISHPAXHGEX-VIFPVBQESA-N 0 1 289.251 0.089 20 5 CCBDMN Nc1ccc(N2CCN(CCCO)CC2)c([N+](=O)[O-])c1 ZINC000286132860 283664265 /nfs/dbraw/zinc/66/42/65/283664265.db2.gz GTHPONLFSQRNIX-UHFFFAOYSA-N 0 1 280.328 0.681 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC3(COC3)C2)c1[N+](=O)[O-] ZINC000598405151 361405542 /nfs/dbraw/zinc/40/55/42/361405542.db2.gz WUQUXXHWSRELBJ-UHFFFAOYSA-N 0 1 266.257 0.489 20 5 CCBDMN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[NH2+]1 ZINC000598777390 361514114 /nfs/dbraw/zinc/51/41/14/361514114.db2.gz SVFDTTUOKPCLCQ-NSHDSACASA-N 0 1 294.311 0.765 20 5 CCBDMN CCc1nn(C)c(NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599176760 361600077 /nfs/dbraw/zinc/60/00/77/361600077.db2.gz WVIREEOQFLQFRM-SECBINFHSA-N 0 1 283.332 0.369 20 5 CCBDMN C[C@H]1CCC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599231987 361616154 /nfs/dbraw/zinc/61/61/54/361616154.db2.gz GHKOSJOKDRZMQZ-JGVFFNPUSA-N 0 1 288.329 0.795 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H]2C2CC2)n1 ZINC000599306514 361644704 /nfs/dbraw/zinc/64/47/04/361644704.db2.gz YPVSIYIARCBPRP-JGVFFNPUSA-N 0 1 286.313 0.405 20 5 CCBDMN CCN1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000612789643 364011995 /nfs/dbraw/zinc/01/19/95/364011995.db2.gz HISBTJQEZXOGFB-VIFPVBQESA-N 0 1 251.290 0.915 20 5 CCBDMN CNC(=O)[C@H]1CCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000330591938 203012527 /nfs/dbraw/zinc/01/25/27/203012527.db2.gz XZYWEESEDPPSSM-IUCAKERBSA-N 0 1 281.316 0.333 20 5 CCBDMN C[C@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000566854660 291442619 /nfs/dbraw/zinc/44/26/19/291442619.db2.gz GHGNQLPZSSKQIK-SSDOTTSWSA-N 0 1 268.273 0.553 20 5 CCBDMN CCO[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1OC ZINC000331797582 204173056 /nfs/dbraw/zinc/17/30/56/204173056.db2.gz RFASTTCICZHZMI-YNEQXMIYSA-N 0 1 284.272 0.240 20 5 CCBDMN O=C(N[C@H]1c2ccccc2C[C@H]1O)c1n[nH]cc1[N+](=O)[O-] ZINC000159843363 284268454 /nfs/dbraw/zinc/26/84/54/284268454.db2.gz JRHKPBSTPOGPKM-MNOVXSKESA-N 0 1 288.263 0.706 20 5 CCBDMN C[C@@H](O)CN(CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000289642456 388878369 /nfs/dbraw/zinc/87/83/69/388878369.db2.gz DCZNATYKXFSTDH-SNVBAGLBSA-N 0 1 254.286 0.770 20 5 CCBDMN COC[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000083395044 389002207 /nfs/dbraw/zinc/00/22/07/389002207.db2.gz WBWCDDDNOJEHOF-JTQLQIEISA-N 0 1 253.258 0.185 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)c2cc([N+](=O)[O-])cnc2C)n1 ZINC000338165817 389081881 /nfs/dbraw/zinc/08/18/81/389081881.db2.gz IUKLLLKROZGFQJ-UHFFFAOYSA-N 0 1 290.283 0.697 20 5 CCBDMN [NH3+][C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000194733934 389102612 /nfs/dbraw/zinc/10/26/12/389102612.db2.gz QOKMSLCZKSRTQZ-ZETCQYMHSA-N 0 1 291.354 0.672 20 5 CCBDMN O=C(N[C@H]1CCC(=O)N[C@H]1C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000356725503 389127920 /nfs/dbraw/zinc/12/79/20/389127920.db2.gz AZWPASBYPMZQQE-XVKPBYJWSA-N 0 1 293.283 0.105 20 5 CCBDMN Cc1nn(C)c(C(=O)Nc2ccncc2O)c1[N+](=O)[O-] ZINC000135394706 389256241 /nfs/dbraw/zinc/25/62/41/389256241.db2.gz GBHKLVUIIOJJII-UHFFFAOYSA-N 0 1 277.240 0.990 20 5 CCBDMN C[C@@H]1[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CCCN1C ZINC000345312970 389302987 /nfs/dbraw/zinc/30/29/87/389302987.db2.gz GDHBFWFDHJGCKT-RKDXNWHRSA-N 0 1 281.316 0.541 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H](C)N1 ZINC000153554194 389303453 /nfs/dbraw/zinc/30/34/53/389303453.db2.gz RUJXIMKPRNXBPL-RKDXNWHRSA-N 0 1 278.312 0.999 20 5 CCBDMN O=C(NC[C@H]1CCCS1)c1n[nH]cc1[N+](=O)[O-] ZINC000153799992 389308772 /nfs/dbraw/zinc/30/87/72/389308772.db2.gz HFTUDAUXRSQIAH-ZCFIWIBFSA-N 0 1 256.287 0.943 20 5 CCBDMN CN(C)C(=O)CN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349586139 389418150 /nfs/dbraw/zinc/41/81/50/389418150.db2.gz QKCDWEQSPLCUDA-UHFFFAOYSA-N 0 1 267.285 0.820 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000373404987 389479990 /nfs/dbraw/zinc/47/99/90/389479990.db2.gz NDZRDRKZUQKVTK-WKJUBOCMSA-N 0 1 254.286 0.678 20 5 CCBDMN C[C@@H]1[C@H](C)N(C(=O)Nc2ccncc2[N+](=O)[O-])CCN1C ZINC000349904782 389456529 /nfs/dbraw/zinc/45/65/29/389456529.db2.gz KGNJBVUUOPOWGV-ZJUUUORDSA-N 0 1 293.327 0.968 20 5 CCBDMN CCOC(=O)[C@@H]1NCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000422939689 389508180 /nfs/dbraw/zinc/50/81/80/389508180.db2.gz IDJWCHABXSMTFP-QWHCGFSZSA-N 0 1 293.323 0.978 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@](C)(O)C2)c1[N+](=O)[O-] ZINC000179882756 389664216 /nfs/dbraw/zinc/66/42/16/389664216.db2.gz OGAABGXFZAWARO-LBPRGKRZSA-N 0 1 282.300 0.867 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000429407813 389754506 /nfs/dbraw/zinc/75/45/06/389754506.db2.gz KKKWRWNNZHTFDT-BQBZGAKWSA-N 0 1 267.289 0.449 20 5 CCBDMN Cc1cnc(N2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000405226539 389813175 /nfs/dbraw/zinc/81/31/75/389813175.db2.gz OXHMQJFICNNSPL-WDEREUQCSA-N 0 1 278.312 0.553 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)Cc2ccnn2C)c1[N+](=O)[O-] ZINC000352541761 389829209 /nfs/dbraw/zinc/82/92/09/389829209.db2.gz CLPJVIHXWKMFDY-UHFFFAOYSA-N 0 1 292.299 0.886 20 5 CCBDMN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000440407060 390036313 /nfs/dbraw/zinc/03/63/13/390036313.db2.gz MUKUAWHLCVYZQC-SSDOTTSWSA-N 0 1 291.354 0.672 20 5 CCBDMN CC(C)(NC(=O)c1cccc([N+](=O)[O-])c1N)c1nn[nH]n1 ZINC000487544849 390088178 /nfs/dbraw/zinc/08/81/78/390088178.db2.gz WDOPTXXQSFHDIN-UHFFFAOYSA-N 0 1 291.271 0.355 20 5 CCBDMN COC(=O)N1CCC([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000496270085 390330814 /nfs/dbraw/zinc/33/08/14/390330814.db2.gz BLRIYTQPCXDPKZ-FBIMIBRVSA-N 0 1 299.327 0.635 20 5 CCBDMN NCc1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)co1 ZINC000567350633 390694263 /nfs/dbraw/zinc/69/42/63/390694263.db2.gz QPKAXARNOVZJNU-UHFFFAOYSA-N 0 1 279.256 0.273 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000532631185 390882673 /nfs/dbraw/zinc/88/26/73/390882673.db2.gz AHBZNHGGZLUONW-BDAKNGLRSA-N 0 1 282.300 0.859 20 5 CCBDMN COCCO[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000189741867 130018825 /nfs/dbraw/zinc/01/88/25/130018825.db2.gz PDDXJMQUMWMFTN-GFCCVEGCSA-N 0 1 284.316 0.529 20 5 CCBDMN O=C(NC[C@]1(O)CCSC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269199509 132130162 /nfs/dbraw/zinc/13/01/62/132130162.db2.gz QUZOQDNEKBIYGF-GFCCVEGCSA-N 0 1 298.320 0.898 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](O)C1 ZINC000269309170 132153272 /nfs/dbraw/zinc/15/32/72/132153272.db2.gz XYSOYXMKQPVAOX-VIFPVBQESA-N 0 1 252.226 0.507 20 5 CCBDMN O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000357927655 144134326 /nfs/dbraw/zinc/13/43/26/144134326.db2.gz LRJNOHLODJPCAV-JZYVYDRUSA-N 0 1 288.263 0.846 20 5 CCBDMN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000357950812 144136192 /nfs/dbraw/zinc/13/61/92/144136192.db2.gz WCPUSXOYPHDPLB-SNVBAGLBSA-N 0 1 293.327 0.637 20 5 CCBDMN CCC[C@H]1CNCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000359230089 144204256 /nfs/dbraw/zinc/20/42/56/144204256.db2.gz PGDITVAUESMIDH-JTQLQIEISA-N 0 1 281.316 0.392 20 5 CCBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000371942171 144347819 /nfs/dbraw/zinc/34/78/19/144347819.db2.gz CJZNULZGZQCJSB-DDHJBXDOSA-N 0 1 278.312 0.958 20 5 CCBDMN CC(F)(F)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000549903079 286101777 /nfs/dbraw/zinc/10/17/77/286101777.db2.gz APFDYMWJJGVCRD-UHFFFAOYSA-N 0 1 281.240 0.923 20 5 CCBDMN COC(=O)[C@@H]1CN(C)CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000413490697 277362874 /nfs/dbraw/zinc/36/28/74/277362874.db2.gz AEGPFLLEZCYIDU-SNVBAGLBSA-N 0 1 294.311 0.531 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000264610745 281362396 /nfs/dbraw/zinc/36/23/96/281362396.db2.gz OTJDYLBCGQRTQG-QMMMGPOBSA-N 0 1 295.299 0.360 20 5 CCBDMN Cc1nc(N2CCN(CC(C)(C)O)CC2)ncc1[N+](=O)[O-] ZINC000450306077 534442999 /nfs/dbraw/zinc/44/29/99/534442999.db2.gz SBGJWKJBYXRBDB-UHFFFAOYSA-N 0 1 295.343 0.586 20 5 CCBDMN COCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184910062 523599872 /nfs/dbraw/zinc/59/98/72/523599872.db2.gz TVKPOQZFVJTYHY-UHFFFAOYSA-N 0 1 297.311 0.608 20 5 CCBDMN O=C(N[C@@H]1COc2ccccc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000365086789 526963208 /nfs/dbraw/zinc/96/32/08/526963208.db2.gz ZLDBZAINBLCTPJ-HBNTYKKESA-N 0 1 262.265 0.772 20 5 CCBDMN O=[N+]([O-])c1cnccc1NCCN1CCCOCC1 ZINC000340872862 527323285 /nfs/dbraw/zinc/32/32/85/527323285.db2.gz PTERJDWYAYZDSI-UHFFFAOYSA-N 0 1 266.301 0.546 20 5 CCBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1COC1 ZINC000453003433 529103011 /nfs/dbraw/zinc/10/30/11/529103011.db2.gz IFFCIGGGLBRFBT-UHFFFAOYSA-N 0 1 254.246 0.487 20 5 CCBDMN CC1(C)[C@H](O)C[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000190705843 535090716 /nfs/dbraw/zinc/09/07/16/535090716.db2.gz FAKOEYJSBUPYAS-NKWVEPMBSA-N 0 1 254.246 0.207 20 5 CCBDMN CCO[C@@H]1C[C@H](O)C12CCN(CC[N+](=O)[O-])CC2 ZINC000791051333 581205931 /nfs/dbraw/zinc/20/59/31/581205931.db2.gz AUYSVYHHVZMXBQ-WDEREUQCSA-N 0 1 258.318 0.515 20 5 CCBDMN CC(C)(NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1c[nH]nn1 ZINC000734410826 581561270 /nfs/dbraw/zinc/56/12/70/581561270.db2.gz RGKVLSLXZQJRBS-UHFFFAOYSA-N 0 1 264.245 0.706 20 5 CCBDMN CCc1nc(COC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000754772021 581608668 /nfs/dbraw/zinc/60/86/68/581608668.db2.gz JNYWJESCSUMEJD-UHFFFAOYSA-N 0 1 280.244 0.215 20 5 CCBDMN CCc1cc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000732793588 581849044 /nfs/dbraw/zinc/84/90/44/581849044.db2.gz RVQOJLXQCNTTQW-UHFFFAOYSA-N 0 1 278.272 0.393 20 5 CCBDMN O=C(OCCn1cnc([N+](=O)[O-])n1)c1ccc([N+](=O)[O-])[nH]1 ZINC000749079073 581996959 /nfs/dbraw/zinc/99/69/59/581996959.db2.gz MZXSNFQCPDJNQZ-UHFFFAOYSA-N 0 1 296.199 0.280 20 5 CCBDMN O=C([O-])C[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819385419 597046097 /nfs/dbraw/zinc/04/60/97/597046097.db2.gz PNADZAOGHIHWMW-VIFPVBQESA-N 0 1 268.273 0.936 20 5 CCBDMN O=C([O-])C[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819385419 597046100 /nfs/dbraw/zinc/04/61/00/597046100.db2.gz PNADZAOGHIHWMW-VIFPVBQESA-N 0 1 268.273 0.936 20 5 CCBDMN C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C(=O)[O-] ZINC000828449299 601531744 /nfs/dbraw/zinc/53/17/44/601531744.db2.gz JWQMWFIQTHIZIC-DTWKUNHWSA-N 0 1 268.273 0.444 20 5 CCBDMN C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(=O)[O-] ZINC000828464288 601814190 /nfs/dbraw/zinc/81/41/90/601814190.db2.gz SYWIIGWQKJLNQN-APPZFPTMSA-N 0 1 254.246 0.401 20 5 CCBDMN C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(=O)[O-] ZINC000828464288 601814191 /nfs/dbraw/zinc/81/41/91/601814191.db2.gz SYWIIGWQKJLNQN-APPZFPTMSA-N 0 1 254.246 0.401 20 5 CCBDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000833834068 605900558 /nfs/dbraw/zinc/90/05/58/605900558.db2.gz MFAAZVXEVGIQTL-UWVGGRQHSA-N 0 1 297.315 0.769 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(-n2cnc(-c3nn[nH]n3)n2)c1 ZINC000822271305 606721497 /nfs/dbraw/zinc/72/14/97/606721497.db2.gz WGADBKLEQMLRMB-UHFFFAOYSA-N 0 1 272.228 0.664 20 5 CCBDMN CC(=O)N(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953671270 613685065 /nfs/dbraw/zinc/68/50/65/613685065.db2.gz TWHGTHUFCNRSCN-GHMZBOCLSA-N 0 1 269.301 0.121 20 5 CCBDMN CC(=O)N1CCC[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842860565 613859530 /nfs/dbraw/zinc/85/95/30/613859530.db2.gz GSIAAIFYMCAZKO-OPRDCNLKSA-N 0 1 256.258 0.206 20 5 CCBDMN CC(C)NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000798879982 613935737 /nfs/dbraw/zinc/93/57/37/613935737.db2.gz FFMRGTAKGBYCDN-ZETCQYMHSA-N 0 1 269.257 0.993 20 5 CCBDMN CC(C)(C)c1nnc2n1CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000856365701 614058027 /nfs/dbraw/zinc/05/80/27/614058027.db2.gz UWSVBDIRMAFRNP-RKDXNWHRSA-N 0 1 293.327 0.583 20 5 CCBDMN CC(C)(C)n1nnc(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000849806172 614070765 /nfs/dbraw/zinc/07/07/65/614070765.db2.gz FHIAONZZHRKFJG-HTQZYQBOSA-N 0 1 283.288 0.179 20 5 CCBDMN CC(C)[C@H](N)c1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000843148480 614229145 /nfs/dbraw/zinc/22/91/45/614229145.db2.gz STAMBXRZVMFAMB-VIFPVBQESA-N 0 1 266.261 0.878 20 5 CCBDMN CC(C)c1nnc([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC000839717817 614322626 /nfs/dbraw/zinc/32/26/26/614322626.db2.gz WCAQPWMMNPOHLJ-BWZBUEFSSA-N 0 1 267.289 0.771 20 5 CCBDMN CC(C)c1nc([C@@H](C)NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 ZINC000839717817 614322627 /nfs/dbraw/zinc/32/26/27/614322627.db2.gz WCAQPWMMNPOHLJ-BWZBUEFSSA-N 0 1 267.289 0.771 20 5 CCBDMN CCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC000839695734 614695620 /nfs/dbraw/zinc/69/56/20/614695620.db2.gz LGNRCSAGGYQEIA-NXEZZACHSA-N 0 1 256.302 0.975 20 5 CCBDMN CC1(C)COC(=O)[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000837634001 614716319 /nfs/dbraw/zinc/71/63/19/614716319.db2.gz LWBWQQUIKBROPC-SNVBAGLBSA-N 0 1 294.263 0.982 20 5 CCBDMN CCCC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839624582 614889855 /nfs/dbraw/zinc/88/98/55/614889855.db2.gz ITOLOUUIWCPZBM-IJLUTSLNSA-N 0 1 297.355 0.807 20 5 CCBDMN CCC[C@H](C)C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839778846 615037411 /nfs/dbraw/zinc/03/74/11/615037411.db2.gz HIQPCGMHWCDGQG-IVZWLZJFSA-N 0 1 271.317 0.320 20 5 CCBDMN CCN1CC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000893874305 615311103 /nfs/dbraw/zinc/31/11/03/615311103.db2.gz VWVKBPSRZGVNPN-JTQLQIEISA-N 0 1 295.343 0.737 20 5 CCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000839706917 615530265 /nfs/dbraw/zinc/53/02/65/615530265.db2.gz XJHBJDQKLOFOMZ-IWSPIJDZSA-N 0 1 272.301 0.888 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C=C2CCC2)C1 ZINC000954240427 615867463 /nfs/dbraw/zinc/86/74/63/615867463.db2.gz QBROQCLWTJQLBM-VXGBXAGGSA-N 0 1 293.323 0.431 20 5 CCBDMN CC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000839748563 615902298 /nfs/dbraw/zinc/90/22/98/615902298.db2.gz UELKZTKMJGQLBI-SBFPOUOMSA-N 0 1 284.312 0.448 20 5 CCBDMN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000874832854 616200578 /nfs/dbraw/zinc/20/05/78/616200578.db2.gz IQJVUSMOCNKAES-RKDXNWHRSA-N 0 1 279.300 0.627 20 5 CCBDMN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840433510 616518481 /nfs/dbraw/zinc/51/84/81/616518481.db2.gz KNVRVUPZKLLYBQ-QGKZMRNZSA-N 0 1 282.296 0.452 20 5 CCBDMN COC(=O)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(C)C ZINC000839693538 616599697 /nfs/dbraw/zinc/59/96/97/616599697.db2.gz ZWTHDDAAVPPRBJ-IVZWLZJFSA-N 0 1 272.301 0.603 20 5 CCBDMN CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000855350558 616634734 /nfs/dbraw/zinc/63/47/34/616634734.db2.gz UTWWGISDGWVBAI-MTVMDMGHSA-N 0 1 286.328 0.334 20 5 CCBDMN CNC(=O)c1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840670887 616909302 /nfs/dbraw/zinc/90/93/02/616909302.db2.gz MZYUXDCMVGLATA-GHMZBOCLSA-N 0 1 278.264 0.755 20 5 CCBDMN CN[C@H](C)c1cn(Cc2cccnc2[N+](=O)[O-])nn1 ZINC000887462950 617051551 /nfs/dbraw/zinc/05/15/51/617051551.db2.gz KAHINKRPUNWYQZ-MRVPVSSYSA-N 0 1 262.273 0.910 20 5 CCBDMN CO[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000839683238 617168648 /nfs/dbraw/zinc/16/86/48/617168648.db2.gz DGXGMLRRNHNYEZ-PBXRRBTRSA-N 0 1 256.180 0.345 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000935214257 623083930 /nfs/dbraw/zinc/08/39/30/623083930.db2.gz QCXXIULVXAYJBX-UWVGGRQHSA-N 0 1 295.343 0.651 20 5 CCBDMN Cc1cnc2n1CC[C@@H]2OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000893532335 630774216 /nfs/dbraw/zinc/77/42/16/630774216.db2.gz NVCRPVGIBOULSI-HLTSFMKQSA-N 0 1 251.242 0.845 20 5 CCBDMN [NH3+]CC[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857762735 631071344 /nfs/dbraw/zinc/07/13/44/631071344.db2.gz ABFXGVLSAHWNKM-UHFFFAOYSA-N 0 1 275.211 0.641 20 5 CCBDMN Cn1ccc(C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000928206916 631700520 /nfs/dbraw/zinc/70/05/20/631700520.db2.gz WIEFPWFMJYZEJE-ZYHUDNBSSA-N 0 1 278.312 0.791 20 5 CCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000840673472 631714249 /nfs/dbraw/zinc/71/42/49/631714249.db2.gz OXVHRFYIQHSBJI-DJLDLDEBSA-N 0 1 257.242 0.191 20 5 CCBDMN O=C(CCCOC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCCCC1 ZINC000840673695 631716932 /nfs/dbraw/zinc/71/69/32/631716932.db2.gz YUFBLACEWIZWCY-GHMZBOCLSA-N 0 1 284.312 0.988 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840505649 631759158 /nfs/dbraw/zinc/75/91/58/631759158.db2.gz NQLSZIUWQUUWEC-UMSGYPCISA-N 0 1 276.292 0.986 20 5 CCBDMN O=C(NC1CN(C(=O)C2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991279146 635833639 /nfs/dbraw/zinc/83/36/39/635833639.db2.gz JGYOKXYVRQDDEU-VXGBXAGGSA-N 0 1 295.339 0.559 20 5 CCBDMN CC(C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)=C1CCC1 ZINC000991294386 635858119 /nfs/dbraw/zinc/85/81/19/635858119.db2.gz DUOOTWJNDZJHKN-VXGBXAGGSA-N 0 1 293.323 0.479 20 5 CCBDMN O=C(COc1ccccc1[N+](=O)[O-])NC12CCN(CC1)C2 ZINC000913624673 637384844 /nfs/dbraw/zinc/38/48/44/637384844.db2.gz FBROIGITMSFRJT-UHFFFAOYSA-N 0 1 291.307 0.938 20 5 CCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)NC12CCN(CC1)C2 ZINC000913628351 637388423 /nfs/dbraw/zinc/38/84/23/637388423.db2.gz DUDBMWQSLQRHTI-UHFFFAOYSA-N 0 1 279.300 0.146 20 5 CCBDMN Cc1ccnc(N(C)CC(=O)N2CCNCC2)c1[N+](=O)[O-] ZINC000070496530 638490268 /nfs/dbraw/zinc/49/02/68/638490268.db2.gz HGWYABPNENLWSP-UHFFFAOYSA-N 0 1 293.327 0.166 20 5 CCBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC=CC1 ZINC001001267985 639270135 /nfs/dbraw/zinc/27/01/35/639270135.db2.gz SZVFTOKZLWIXOE-VXGBXAGGSA-N 0 1 293.323 0.192 20 5 CCBDMN O=C(N[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839603626 640345164 /nfs/dbraw/zinc/34/51/64/640345164.db2.gz BQTHKEUEAFKZCI-BWZBUEFSSA-N 0 1 281.234 0.404 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2ccc(O)cc2CC1 ZINC000839628444 640346234 /nfs/dbraw/zinc/34/62/34/640346234.db2.gz SQIKAUDZOBIPAN-CHWSQXEVSA-N 0 1 276.292 0.985 20 5 CCBDMN C[C@](O)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000839715417 640356877 /nfs/dbraw/zinc/35/68/77/640356877.db2.gz QFSPMWOPQUMZHO-WZRBSPASSA-N 0 1 282.271 0.815 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000839710272 640357115 /nfs/dbraw/zinc/35/71/15/640357115.db2.gz QWPDCBLIAYJKGG-WKSBVSIWSA-N 0 1 278.308 0.760 20 5 CCBDMN O=C(N[C@@H](CO)C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839723853 640358476 /nfs/dbraw/zinc/35/84/76/640358476.db2.gz KNXBPTSXGRPOMQ-OUAUKWLOSA-N 0 1 256.302 0.709 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)Cc1cccnc1Cl ZINC000839748866 640360906 /nfs/dbraw/zinc/36/09/06/640360906.db2.gz XYPSLDMSPDUQNV-NXEZZACHSA-N 0 1 299.714 0.721 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000839783735 640364797 /nfs/dbraw/zinc/36/47/97/640364797.db2.gz LDFDZTOOLIENDC-OOCWMUITSA-N 0 1 268.313 0.804 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000839778842 640365035 /nfs/dbraw/zinc/36/50/35/640365035.db2.gz RVNBGLMURRLNTO-NBEYISGCSA-N 0 1 251.242 0.630 20 5 CCBDMN C[C@H](O)C[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840441195 641578060 /nfs/dbraw/zinc/57/80/60/641578060.db2.gz OVHGXSHNJYWTKR-UKKRHICBSA-N 0 1 256.302 0.804 20 5 CCBDMN O=C(Nc1cccc2c1CNC2=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840458585 641580487 /nfs/dbraw/zinc/58/04/87/641580487.db2.gz JAOVWYGBMKUVQA-GMSGAONNSA-N 0 1 261.237 0.534 20 5 CCBDMN COc1ccnc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1OC ZINC000840673610 642786858 /nfs/dbraw/zinc/78/68/58/642786858.db2.gz VHXOKVMPZGXERH-VXNVDRBHSA-N 0 1 282.252 0.807 20 5 CCBDMN O=C(OCCNc1cccnn1)[C@@H]1CC1[N+](=O)[O-] ZINC000842320472 642891453 /nfs/dbraw/zinc/89/14/53/642891453.db2.gz VKRBNSAJZDJZHZ-HTQZYQBOSA-N 0 1 252.230 0.097 20 5 CCBDMN CCC(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001017440900 650802565 /nfs/dbraw/zinc/80/25/65/650802565.db2.gz QVFXQHQXGNVMDV-GHMZBOCLSA-N 0 1 281.312 0.337 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](Nc2ncccn2)C1 ZINC000843616651 643099108 /nfs/dbraw/zinc/09/91/08/643099108.db2.gz ONHGKXQPCVAJBQ-OPRDCNLKSA-N 0 1 277.284 0.155 20 5 CCBDMN O=C(NCCO[C@@H]1CCCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000854549780 644221522 /nfs/dbraw/zinc/22/15/22/644221522.db2.gz RPBYANGSIULVFI-OPRDCNLKSA-N 0 1 258.274 0.311 20 5 CCBDMN O=C(N[C@H]1COC2(CCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000855661546 644345808 /nfs/dbraw/zinc/34/58/08/644345808.db2.gz NVHWAQSRYKLMPP-SSDOTTSWSA-N 0 1 266.257 0.759 20 5 CCBDMN O=C(N[C@@H]1C[C@H](O)c2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000855733060 644358488 /nfs/dbraw/zinc/35/84/88/644358488.db2.gz VBQMEPZBBUGBHU-KKOKHZNYSA-N 0 1 262.265 0.946 20 5 CCBDMN O=C(NCC(O)(C1CC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000855907265 644372724 /nfs/dbraw/zinc/37/27/24/644372724.db2.gz NQAAHTLDKXQPLC-NXEZZACHSA-N 0 1 254.286 0.319 20 5 CCBDMN CC(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019012528 650930481 /nfs/dbraw/zinc/93/04/81/650930481.db2.gz MZSCKPZOUOTKSA-GHMZBOCLSA-N 0 1 295.339 0.369 20 5 CCBDMN Cn1ncc(C(F)(F)F)c1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862420101 644999217 /nfs/dbraw/zinc/99/92/17/644999217.db2.gz IKLIIPOFXQJOPY-IYSWYEEDSA-N 0 1 292.217 0.720 20 5 CCBDMN C[C@H](NCCn1cnnn1)c1ccccc1[N+](=O)[O-] ZINC000878372674 646900111 /nfs/dbraw/zinc/90/01/11/646900111.db2.gz FWLSRSSQIYZVDO-VIFPVBQESA-N 0 1 262.273 0.932 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H]2C[C@@]2(CO)C1 ZINC000878482664 646918182 /nfs/dbraw/zinc/91/81/82/646918182.db2.gz WDTIMOOWKLCPIZ-PWSUYJOCSA-N 0 1 266.301 0.414 20 5 CCBDMN O=C(N[C@H]1CCOC12CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000890409198 648295971 /nfs/dbraw/zinc/29/59/71/648295971.db2.gz VXYOMUZWGXERQL-BBBLOLIVSA-N 0 1 254.286 0.870 20 5 CCBDMN O=[N+]([O-])CCNC[C@H](c1cccs1)N1CCOCC1 ZINC000929533020 648754223 /nfs/dbraw/zinc/75/42/23/648754223.db2.gz YQCNVNZJDHNCBS-LLVKDONJSA-N 0 1 285.369 0.988 20 5 CCBDMN Cc1nnc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1C1CC1 ZINC001153340330 800623242 /nfs/dbraw/zinc/62/32/42/800623242.db2.gz LWELVDPMQLTCBQ-RKDXNWHRSA-N 0 1 265.273 0.203 20 5 CCBDMN Cc1nnc(CN)n1-c1ncc([N+](=O)[O-])c(C)c1C ZINC001163348468 802541985 /nfs/dbraw/zinc/54/19/85/802541985.db2.gz CMLGOGFCVHDOKW-UHFFFAOYSA-N 0 1 262.273 0.954 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2ncc([N+](=O)[O-])cn2)S1 ZINC001163658801 802582795 /nfs/dbraw/zinc/58/27/95/802582795.db2.gz AOHMZBWGIWRBGE-RXMQYKEDSA-N 0 1 255.215 0.106 20 5 CCBDMN NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001276460035 803078788 /nfs/dbraw/zinc/07/87/88/803078788.db2.gz RUQPRUUSVMKDEX-ZYUZMQFOSA-N 0 1 269.301 0.060 20 5 CCBDMN CC1=C(Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])C(=O)O[C@@H]1C ZINC001229383343 814952461 /nfs/dbraw/zinc/95/24/61/814952461.db2.gz ZTCYIXRVRMTZIF-RXMQYKEDSA-N 0 1 281.224 0.997 20 5 CCBDMN CCn1cc(S(=O)(=O)N[C@@H](C)CF)c([N+](=O)[O-])n1 ZINC001213703019 803701970 /nfs/dbraw/zinc/70/19/70/803701970.db2.gz VQFRHDYLLCMUES-LURJTMIESA-N 0 1 280.281 0.448 20 5 CCBDMN Cc1nc(OC[C@H]2C[C@H](O)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218427557 803956916 /nfs/dbraw/zinc/95/69/16/803956916.db2.gz GSPSEDIOWSTDFZ-LJGSYFOKSA-N 0 1 255.230 0.549 20 5 CCBDMN C[N@H+]1[C@@H]2C[C@H](Oc3[n-]c(=O)ncc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226333126 805220333 /nfs/dbraw/zinc/22/03/33/805220333.db2.gz YCXJYKZHMPDZIU-IONOHQLYSA-N 0 1 294.267 0.273 20 5 CCBDMN C[C@H](C[N+](C)(C)C)Oc1[n-]c(=O)nc2c(=O)[nH]c(=O)[nH]c21 ZINC001226885418 805290730 /nfs/dbraw/zinc/29/07/30/805290730.db2.gz GJUCIBVNJVQIRZ-ZCFIWIBFSA-O 0 1 296.307 0.010 20 5 CCBDMN Cc1ncoc1CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042710215 815070139 /nfs/dbraw/zinc/07/01/39/815070139.db2.gz AHMHCVDLSQPZOM-GHMZBOCLSA-N 0 1 294.311 0.291 20 5 CCBDMN O=C1OC[C@@H](COc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])O1 ZINC001228603466 805458601 /nfs/dbraw/zinc/45/86/01/805458601.db2.gz JYGCWRKJGNRNQB-ZCFIWIBFSA-N 0 1 297.223 0.882 20 5 CCBDMN COC(=O)[C@H]1C[C@H](Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001229383064 805526539 /nfs/dbraw/zinc/52/65/39/805526539.db2.gz YTLAZJCEGLAHMY-LJGSYFOKSA-N 0 1 283.240 0.729 20 5 CCBDMN Cc1nc(OC(=O)C[C@@H](C)O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375572 805527181 /nfs/dbraw/zinc/52/71/81/805527181.db2.gz HTIKOLPXTXAZJS-SCSAIBSYSA-N 0 1 257.202 0.075 20 5 CCBDMN CCN1CC[C@@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229454929 805536284 /nfs/dbraw/zinc/53/62/84/805536284.db2.gz SEHDIKLSVIKPTI-SECBINFHSA-N 0 1 253.258 0.701 20 5 CCBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCNC[C@@H]1CO ZINC001263179994 809472217 /nfs/dbraw/zinc/47/22/17/809472217.db2.gz BKRPYEDRIHDSCD-LLVKDONJSA-N 0 1 265.269 0.001 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCNC[C@H]1CO ZINC001263180266 809472659 /nfs/dbraw/zinc/47/26/59/809472659.db2.gz IBYSODNXAZQELF-NSHDSACASA-N 0 1 265.269 0.001 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1ncccc1[N+](=O)[O-] ZINC001167673865 811169248 /nfs/dbraw/zinc/16/92/48/811169248.db2.gz HGVKFWQAVRPDKX-UHFFFAOYSA-N 0 1 260.257 0.422 20 5 CCBDMN O=C(NCC1(NC(=O)C2CCC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001062989092 820127816 /nfs/dbraw/zinc/12/78/16/820127816.db2.gz NWNRDDJXTVKLHM-GHMZBOCLSA-N 0 1 295.339 0.607 20 5 CCBDMN CCOC(=O)c1nnc(CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)o1 ZINC001168967360 836087583 /nfs/dbraw/zinc/08/75/83/836087583.db2.gz OZAWFMGNWWPXTI-DTWKUNHWSA-N 0 1 298.299 0.781 20 5 CCBDMN Cc1cnc(CN)n1-c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001169027435 836105739 /nfs/dbraw/zinc/10/57/39/836105739.db2.gz FUORTJUARDQFDY-UHFFFAOYSA-N 0 1 276.256 0.042 20 5 CCBDMN COc1ncc([N+](=O)[O-])cc1NC[C@H]1COCCN1 ZINC001170046264 836786867 /nfs/dbraw/zinc/78/68/67/836786867.db2.gz WLNKKFFKDDOEJA-QMMMGPOBSA-N 0 1 268.273 0.399 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])ncc1NCC1CN(C)C1 ZINC001170257859 837275324 /nfs/dbraw/zinc/27/53/24/837275324.db2.gz BLOBBUGNQZODSZ-UHFFFAOYSA-N 0 1 280.284 0.750 20 5 CCBDMN CN1CC(CNc2c(F)c([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001170252084 837284631 /nfs/dbraw/zinc/28/46/31/837284631.db2.gz IQMIKBWKOZGNIC-UHFFFAOYSA-N 0 1 256.237 0.341 20 5 CCBDMN COc1ncc([N+](=O)[O-])cc1NCC1CN(C)C1 ZINC001170254496 837286521 /nfs/dbraw/zinc/28/65/21/837286521.db2.gz NUNHWIVBUSEFSR-UHFFFAOYSA-N 0 1 252.274 0.972 20 5 CCBDMN C[C@@H](C(=O)N(C)c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC001131169146 838012842 /nfs/dbraw/zinc/01/28/42/838012842.db2.gz BDWMALANDQCUOA-SSDOTTSWSA-N 0 1 276.256 0.874 20 5 CCBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCCc2cn[nH]c21 ZINC001116300034 855742340 /nfs/dbraw/zinc/74/23/40/855742340.db2.gz OONFSEHNOBIZMU-MRVPVSSYSA-N 0 1 291.271 0.103 20 5 CCBDMN C[N@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001326420675 913945408 /nfs/dbraw/zinc/94/54/08/913945408.db2.gz GQHAOAPWFLFTIL-VIFPVBQESA-N 0 1 280.284 0.442 20 5 CCBDMN CN(CCS(N)(=O)=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001175874408 899970736 /nfs/dbraw/zinc/97/07/36/899970736.db2.gz QFUYGQBAACOYBT-UHFFFAOYSA-N 0 1 289.313 0.021 20 5 CCBDMN CCC(C)(C)C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296215153 906876078 /nfs/dbraw/zinc/87/60/78/906876078.db2.gz VSTOGXSWDHJQBH-NXEZZACHSA-N 0 1 285.344 0.662 20 5 CCBDMN O=C(CCC1CC1)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491639353 907477693 /nfs/dbraw/zinc/47/76/93/907477693.db2.gz UDBGFVNIGMHBFA-GHMZBOCLSA-N 0 1 283.328 0.464 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(NC[C@@H](O)c2cnc[nH]2)n1 ZINC001307208483 908294774 /nfs/dbraw/zinc/29/47/74/908294774.db2.gz KSSZLOOMLRODTJ-MRVPVSSYSA-N 0 1 252.234 0.197 20 5 CCBDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001328783262 908713426 /nfs/dbraw/zinc/71/34/26/908713426.db2.gz KJQZZSILJXUGNU-RKDXNWHRSA-N 0 1 268.273 0.586 20 5 CCBDMN COC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCOCC1 ZINC001320375284 910644816 /nfs/dbraw/zinc/64/48/16/910644816.db2.gz DPMGEGCOGPCOQY-UHFFFAOYSA-N 0 1 284.272 0.243 20 5 CCBDMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001328783259 915432345 /nfs/dbraw/zinc/43/23/45/915432345.db2.gz KJQZZSILJXUGNU-DTWKUNHWSA-N 0 1 268.273 0.586 20 5 CCBDMN O=C(N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)[C@@H]1CC1[N+](=O)[O-] ZINC001329655485 916104196 /nfs/dbraw/zinc/10/41/96/916104196.db2.gz RYKCANJCPWXMMV-BFLSOPEQSA-N 0 1 293.279 0.399 20 5 CCBDMN Cc1nn(CCC(=O)OCc2nnc[nH]2)c(C)c1[N+](=O)[O-] ZINC001330173013 916455089 /nfs/dbraw/zinc/45/50/89/916455089.db2.gz PGWKVBCPLDWXIP-UHFFFAOYSA-N 0 1 294.271 0.660 20 5 CCBDMN C[C@](O)(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(=O)[O-] ZINC001332642583 918343483 /nfs/dbraw/zinc/34/34/83/918343483.db2.gz JGOFJWDMEQNGPZ-ZDUSSCGKSA-N 0 1 280.280 0.789 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCN(CCCCO)CC2)n1 ZINC001340945999 922289542 /nfs/dbraw/zinc/28/95/42/922289542.db2.gz QGCMZKSJISSVTL-UHFFFAOYSA-N 0 1 297.359 0.181 20 5 CCBDMN COC[C@@H]1CNCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001345656743 923941705 /nfs/dbraw/zinc/94/17/05/923941705.db2.gz NYXLGOLINIENFI-ZDUSSCGKSA-N 0 1 293.323 0.584 20 5 CCBDMN Cc1noc(COC(=O)CCc2nc[nH]n2)c1[N+](=O)[O-] ZINC001350513414 925215192 /nfs/dbraw/zinc/21/51/92/925215192.db2.gz FISHDXJFGKALLH-UHFFFAOYSA-N 0 1 281.228 0.685 20 5 CCBDMN CC(F)(F)CC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001356790655 926440917 /nfs/dbraw/zinc/44/09/17/926440917.db2.gz FSIIBEQBIJLXSV-HTQZYQBOSA-N 0 1 291.254 0.024 20 5 CCBDMN CC(C)CCC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001356811467 926447326 /nfs/dbraw/zinc/44/73/26/926447326.db2.gz UCHAIXWULRJFDY-VXGBXAGGSA-N 0 1 297.355 0.662 20 5 CCBDMN CC(C)c1nc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC001450154831 931239600 /nfs/dbraw/zinc/23/96/00/931239600.db2.gz ZTIYLPJOIVRRMQ-UHFFFAOYSA-N 0 1 293.287 0.349 20 5 CCBDMN CC(=O)NC[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000599704247 361793898 /nfs/dbraw/zinc/79/38/98/361793898.db2.gz SMVUFCZIJQTOMG-GFCCVEGCSA-N 0 1 295.343 0.782 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)NCc2cc(C)[nH]n2)n1 ZINC000617407245 365629111 /nfs/dbraw/zinc/62/91/11/365629111.db2.gz ONNKHIGKRSUJNP-UHFFFAOYSA-N 0 1 278.272 0.773 20 5 CCBDMN CN1CCO[C@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000093641432 349547625 /nfs/dbraw/zinc/54/76/25/349547625.db2.gz RPEFCVYJDRWMSY-KBPBESRZSA-N 0 1 293.323 0.815 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCO[C@H](CCF)C2)c1[N+](=O)[O-] ZINC000600489561 361990579 /nfs/dbraw/zinc/99/05/79/361990579.db2.gz SKVLFDILGKBARS-MRVPVSSYSA-N 0 1 286.263 0.827 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](OC)[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000489210771 529466926 /nfs/dbraw/zinc/46/69/26/529466926.db2.gz VPNDJPGYMMVIDS-IUCAKERBSA-N 0 1 298.299 0.366 20 5 CCBDMN O=C(NN1CCCNC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000273146146 192057525 /nfs/dbraw/zinc/05/75/25/192057525.db2.gz XZGVWADJQCVWAD-UHFFFAOYSA-N 0 1 280.240 0.361 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(N(C)C)C1 ZINC000158451298 290718524 /nfs/dbraw/zinc/71/85/24/290718524.db2.gz OSJXUCVOYORHEE-UHFFFAOYSA-N 0 1 264.285 0.684 20 5 CCBDMN C[C@H](Cn1cccn1)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602507761 362650867 /nfs/dbraw/zinc/65/08/67/362650867.db2.gz HXWWGQMEVRKVJM-SECBINFHSA-N 0 1 264.289 0.703 20 5 CCBDMN C[C@@H]1[C@H](C)N(Cc2cn(C)nc2[N+](=O)[O-])CCN1C ZINC000602798128 362806400 /nfs/dbraw/zinc/80/64/00/362806400.db2.gz MUUITNMUNUIJDO-ZJUUUORDSA-N 0 1 267.333 0.853 20 5 CCBDMN CCN1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@H](C)C1 ZINC000602833750 362825239 /nfs/dbraw/zinc/82/52/39/362825239.db2.gz VEBAHEBXTSZFJU-SNVBAGLBSA-N 0 1 267.333 0.854 20 5 CCBDMN O=C(C[C@@H]1COCCN1)NCCc1ccccc1[N+](=O)[O-] ZINC000262503483 137045165 /nfs/dbraw/zinc/04/51/65/137045165.db2.gz IYTLMWNVIXIFRM-GFCCVEGCSA-N 0 1 293.323 0.632 20 5 CCBDMN Cn1ccc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])n1 ZINC000535736729 290838092 /nfs/dbraw/zinc/83/80/92/290838092.db2.gz LGTRHJFIYHNSMV-UHFFFAOYSA-N 0 1 297.296 0.202 20 5 CCBDMN COCC[C@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000343922617 137167262 /nfs/dbraw/zinc/16/72/62/137167262.db2.gz HURMOLGTVHZBCJ-SECBINFHSA-N 0 1 284.268 0.428 20 5 CCBDMN O=C(NCC1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000343343106 137129450 /nfs/dbraw/zinc/12/94/50/137129450.db2.gz RVSMLQZCUHILFB-UHFFFAOYSA-N 0 1 254.246 0.474 20 5 CCBDMN NC(=O)[C@@H]1CCCN1CCCNc1ccc([N+](=O)[O-])nc1 ZINC000344424478 137193764 /nfs/dbraw/zinc/19/37/64/137193764.db2.gz UCRDEJOLYOLRNW-NSHDSACASA-N 0 1 293.327 0.742 20 5 CCBDMN Cc1nc(=NC(=O)c2cc([N+](=O)[O-])c[nH]2)[nH]n1C ZINC000344532499 137199663 /nfs/dbraw/zinc/19/96/63/137199663.db2.gz OFVJNLKGKJFVQV-UHFFFAOYSA-N 0 1 250.218 0.034 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000038012013 348223282 /nfs/dbraw/zinc/22/32/82/348223282.db2.gz QDJSKRVXEGCZQR-UHFFFAOYSA-N 0 1 263.257 0.895 20 5 CCBDMN O=C(CNc1ccccc1[N+](=O)[O-])N1CCNCC1 ZINC000037716297 348199023 /nfs/dbraw/zinc/19/90/23/348199023.db2.gz BJFKYJANIVQDHS-UHFFFAOYSA-N 0 1 264.285 0.439 20 5 CCBDMN C[C@H](C[NH+](C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000346163016 137270420 /nfs/dbraw/zinc/27/04/20/137270420.db2.gz CTEZFWKGMCOULE-SSDOTTSWSA-N 0 1 268.273 0.375 20 5 CCBDMN O=[N+]([O-])c1ccccc1CN1[C@H](CO)CC[C@H]1CO ZINC000347325903 137331712 /nfs/dbraw/zinc/33/17/12/137331712.db2.gz ZQABKHJCODBSRU-RYUDHWBXSA-N 0 1 266.297 0.912 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000080524950 349215664 /nfs/dbraw/zinc/21/56/64/349215664.db2.gz YFMWYQKXZONXSO-UHFFFAOYSA-N 0 1 264.245 0.324 20 5 CCBDMN C[C@@H]1C[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000271285788 191050403 /nfs/dbraw/zinc/05/04/03/191050403.db2.gz DDLJXEGQFDBWNH-HTQZYQBOSA-N 0 1 268.273 0.863 20 5 CCBDMN COc1cc(C(=O)NCc2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000134513129 350367390 /nfs/dbraw/zinc/36/73/90/350367390.db2.gz DDALVPMQROOEHB-UHFFFAOYSA-N 0 1 278.228 0.047 20 5 CCBDMN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000123371991 187087990 /nfs/dbraw/zinc/08/79/90/187087990.db2.gz GUTHHGRKPBVSMJ-NKWVEPMBSA-N 0 1 283.288 0.351 20 5 CCBDMN C[N@H+]1CC[C@@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000234367884 352158316 /nfs/dbraw/zinc/15/83/16/352158316.db2.gz ORMUYWOSCVBUCY-VIFPVBQESA-N 0 1 279.296 0.982 20 5 CCBDMN COC[C@@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000234871478 352176870 /nfs/dbraw/zinc/17/68/70/352176870.db2.gz IROYDIMLZMJGIK-SNVBAGLBSA-N 0 1 270.285 0.700 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1COCCN1 ZINC000235762113 352188785 /nfs/dbraw/zinc/18/87/85/352188785.db2.gz JYOZBHXUWADRNN-VIFPVBQESA-N 0 1 252.274 0.699 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1ccc([N+](=O)[O-])cc1F ZINC000236137673 352192295 /nfs/dbraw/zinc/19/22/95/352192295.db2.gz NCDAARXAVKMUSP-QMMMGPOBSA-N 0 1 283.259 0.452 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2C[C@H](O)C[C@H]2CO)c1 ZINC000245672025 352333078 /nfs/dbraw/zinc/33/30/78/352333078.db2.gz IGECLWBEAGJWPZ-NWDGAFQWSA-N 0 1 282.296 0.401 20 5 CCBDMN CN(CC(=O)NCc1nnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000266407118 352700918 /nfs/dbraw/zinc/70/09/18/352700918.db2.gz ZUOYQUASNWLGPH-UHFFFAOYSA-N 0 1 290.283 0.466 20 5 CCBDMN O=C(NCCOCC1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000270784136 352984465 /nfs/dbraw/zinc/98/44/65/352984465.db2.gz PQWSZVQHHUPFEQ-UHFFFAOYSA-N 0 1 254.246 0.474 20 5 CCBDMN NC(=O)N[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000270675142 352966313 /nfs/dbraw/zinc/96/63/13/352966313.db2.gz MBAOFRXSBYXQAP-JTQLQIEISA-N 0 1 294.311 0.716 20 5 CCBDMN CN(CC(=O)NC1CC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272436819 353064035 /nfs/dbraw/zinc/06/40/35/353064035.db2.gz BQOHMNAXGSFJTL-UHFFFAOYSA-N 0 1 293.279 0.651 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC000152776074 188043019 /nfs/dbraw/zinc/04/30/19/188043019.db2.gz IKEOHUUZBPIQHE-BDAKNGLRSA-N 0 1 297.315 0.157 20 5 CCBDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000155324017 188198917 /nfs/dbraw/zinc/19/89/17/188198917.db2.gz UJUTWKVTMVCXQU-PHIMTYICSA-N 0 1 295.343 0.732 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000155371505 188202239 /nfs/dbraw/zinc/20/22/39/188202239.db2.gz GBLOJCGORXRWEJ-UWVGGRQHSA-N 0 1 295.343 0.651 20 5 CCBDMN CO[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000286369485 353581664 /nfs/dbraw/zinc/58/16/64/353581664.db2.gz LIBSEBAQFNHTDF-LURJTMIESA-N 0 1 256.262 0.733 20 5 CCBDMN CNC(=O)[C@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294290723 353885273 /nfs/dbraw/zinc/88/52/73/353885273.db2.gz MTBPYJZTBOUXLH-YUMQZZPRSA-N 0 1 266.301 0.962 20 5 CCBDMN CCOCC(C)(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000293950629 353854243 /nfs/dbraw/zinc/85/42/43/353854243.db2.gz RVCYRSKBBZLKGJ-UHFFFAOYSA-N 0 1 256.262 0.863 20 5 CCBDMN CC(=O)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330570808 354418130 /nfs/dbraw/zinc/41/81/30/354418130.db2.gz IVEDQASNVVMAPK-UHFFFAOYSA-N 0 1 279.296 0.965 20 5 CCBDMN CN1CC2(C1)CCN(C(=O)c1c([N+](=O)[O-])cnn1C)C2 ZINC000619251648 366223985 /nfs/dbraw/zinc/22/39/85/366223985.db2.gz JDIMGVPYQMVMFN-UHFFFAOYSA-N 0 1 279.300 0.106 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CCC1 ZINC000337297047 355297099 /nfs/dbraw/zinc/29/70/99/355297099.db2.gz SAGAROAOPAMCQB-UHFFFAOYSA-N 0 1 281.316 0.312 20 5 CCBDMN CNC(=O)CN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338906877 355449262 /nfs/dbraw/zinc/44/92/62/355449262.db2.gz WOFDNLBOWHFLEF-UHFFFAOYSA-N 0 1 253.258 0.478 20 5 CCBDMN Cn1c(C(=O)N2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000345354520 355805477 /nfs/dbraw/zinc/80/54/77/355805477.db2.gz LFCQVKLWHLMLTI-UHFFFAOYSA-N 0 1 266.301 0.711 20 5 CCBDMN C[C@@H]1OCC[C@]1(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345528809 355844029 /nfs/dbraw/zinc/84/40/29/355844029.db2.gz BGUVDOYMJDUBPA-WKEGUHRASA-N 0 1 254.246 0.615 20 5 CCBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@H]3COC[C@H]3O)C2)nc1 ZINC000361316904 138028803 /nfs/dbraw/zinc/02/88/03/138028803.db2.gz WVRCMUFVYQTKJQ-ADEWGFFLSA-N 0 1 294.311 0.236 20 5 CCBDMN CCOC(=O)CCN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000354023518 356332077 /nfs/dbraw/zinc/33/20/77/356332077.db2.gz YTJAGFGJHYGZRS-UHFFFAOYSA-N 0 1 284.272 0.652 20 5 CCBDMN CCc1n[nH]c(C(=O)N[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000609476652 363498021 /nfs/dbraw/zinc/49/80/21/363498021.db2.gz MAHGCPJRYUWDMR-QMMMGPOBSA-N 0 1 281.316 0.704 20 5 CCBDMN COc1c(C(=O)Nc2nn[nH]n2)cccc1[N+](=O)[O-] ZINC000356117183 356706209 /nfs/dbraw/zinc/70/62/09/356706209.db2.gz MAZPJYQGJIGMKX-UHFFFAOYSA-N 0 1 264.201 0.369 20 5 CCBDMN O=C(c1ccccc1[N+](=O)[O-])N1CCc2[nH]nnc2C1 ZINC000359759304 356886633 /nfs/dbraw/zinc/88/66/33/356886633.db2.gz FJMJZTQRVKZZNR-UHFFFAOYSA-N 0 1 273.252 0.911 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000375435356 357407486 /nfs/dbraw/zinc/40/74/86/357407486.db2.gz HKNXGFDNOCHUOS-GXSJLCMTSA-N 0 1 266.301 0.985 20 5 CCBDMN O=[N+]([O-])c1cnc(NC[C@@H]2CCCCN2CCO)s1 ZINC000450616329 236101951 /nfs/dbraw/zinc/10/19/51/236101951.db2.gz PJBYQGUEKBEUCI-VIFPVBQESA-N 0 1 286.357 0.732 20 5 CCBDMN Cc1nc(N2CCN3CCC2CC3)ncc1[N+](=O)[O-] ZINC000450474194 236091030 /nfs/dbraw/zinc/09/10/30/236091030.db2.gz JPRHPQRWSSFNCH-UHFFFAOYSA-N 0 1 263.301 0.978 20 5 CCBDMN CO[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000408345519 358043564 /nfs/dbraw/zinc/04/35/64/358043564.db2.gz LAVRHIKENQEOOK-SSDOTTSWSA-N 0 1 254.246 0.487 20 5 CCBDMN Cc1[nH]nc(C(=O)N2Cc3c[nH]nc3C2)c1[N+](=O)[O-] ZINC000590392997 359453373 /nfs/dbraw/zinc/45/33/73/359453373.db2.gz WOEFEJPTSGIJRY-UHFFFAOYSA-N 0 1 262.229 0.505 20 5 CCBDMN COc1cc(Cn2nnnc2CN)ccc1[N+](=O)[O-] ZINC000563082346 291189935 /nfs/dbraw/zinc/18/99/35/291189935.db2.gz ZYZPUOMMPWGFKE-UHFFFAOYSA-N 0 1 264.245 0.097 20 5 CCBDMN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CNCCO1 ZINC000592136389 359762621 /nfs/dbraw/zinc/76/26/21/359762621.db2.gz RBHSXXSMHQROGJ-GFCCVEGCSA-N 0 1 295.295 0.078 20 5 CCBDMN C[C@@H](C[C@H]1CCOC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000611212570 363683746 /nfs/dbraw/zinc/68/37/46/363683746.db2.gz QTRXQVSQCLTJFD-JGVFFNPUSA-N 0 1 268.273 0.863 20 5 CCBDMN C[C@H](CC(N)=O)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611223041 363686933 /nfs/dbraw/zinc/68/69/33/363686933.db2.gz KMLLRLKZPWRURG-MRVPVSSYSA-N 0 1 295.295 0.720 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CN(C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592899794 359972857 /nfs/dbraw/zinc/97/28/57/359972857.db2.gz DDUORTWXENWVSL-ZCFIWIBFSA-N 0 1 281.272 0.141 20 5 CCBDMN Cn1nccc1[C@H](CO)NCc1cc(O)ccc1[N+](=O)[O-] ZINC000593032875 360019012 /nfs/dbraw/zinc/01/90/12/360019012.db2.gz FHAGQBUWNIGBKC-NSHDSACASA-N 0 1 292.295 0.857 20 5 CCBDMN CC(C)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298292242 200386447 /nfs/dbraw/zinc/38/64/47/200386447.db2.gz JJZIPGHWDPNANP-UHFFFAOYSA-N 0 1 293.327 0.619 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](C)CCO)c1[N+](=O)[O-] ZINC000593883174 360193304 /nfs/dbraw/zinc/19/33/04/360193304.db2.gz VGUMSYRBYUYVHD-LURJTMIESA-N 0 1 256.262 0.469 20 5 CCBDMN N[C@H](c1cn(-c2ccc([N+](=O)[O-])cn2)nn1)[C@H]1CCCO1 ZINC000594649875 360348963 /nfs/dbraw/zinc/34/89/63/360348963.db2.gz PPHUUYFDXMPPMB-ZYHUDNBSSA-N 0 1 290.283 0.749 20 5 CCBDMN CCC[C@H](O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760200 360378240 /nfs/dbraw/zinc/37/82/40/360378240.db2.gz ROQLFFQJVPCGOQ-QMMMGPOBSA-N 0 1 289.313 0.429 20 5 CCBDMN [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@H]1F ZINC000595948142 360726402 /nfs/dbraw/zinc/72/64/02/360726402.db2.gz OZJNSENOSLGRIQ-RKDXNWHRSA-N 0 1 284.247 0.207 20 5 CCBDMN CN1CCN(CCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596061681 360783951 /nfs/dbraw/zinc/78/39/51/360783951.db2.gz CSFVDPUGKJHQJQ-UHFFFAOYSA-N 0 1 281.316 0.355 20 5 CCBDMN COCc1nc(CNc2ncc([N+](=O)[O-])s2)n[nH]1 ZINC000596436173 360894945 /nfs/dbraw/zinc/89/49/45/360894945.db2.gz LVZBEIQAOSDCAL-UHFFFAOYSA-N 0 1 270.274 0.350 20 5 CCBDMN COCc1nnc(CNc2ncc([N+](=O)[O-])s2)[nH]1 ZINC000596436173 360894949 /nfs/dbraw/zinc/89/49/49/360894949.db2.gz LVZBEIQAOSDCAL-UHFFFAOYSA-N 0 1 270.274 0.350 20 5 CCBDMN CN(CC1CN(C)C1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596454865 360900375 /nfs/dbraw/zinc/90/03/75/360900375.db2.gz VDPQNJSBRVCFQI-UHFFFAOYSA-N 0 1 279.300 0.087 20 5 CCBDMN C[C@@H](NCC(=O)NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000180443329 189255576 /nfs/dbraw/zinc/25/55/76/189255576.db2.gz KJSIIKQLYKAXPP-SSDOTTSWSA-N 0 1 266.257 0.440 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000597858749 361271098 /nfs/dbraw/zinc/27/10/98/361271098.db2.gz OVRVKNVYJNVQIX-SECBINFHSA-N 0 1 295.343 0.931 20 5 CCBDMN Cc1cnc(NCCCc2nc(=O)[nH][nH]2)c([N+](=O)[O-])c1 ZINC000301524273 201046300 /nfs/dbraw/zinc/04/63/00/201046300.db2.gz IFZHOPBUAHRZHY-UHFFFAOYSA-N 0 1 278.272 0.754 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2[C@@H](C)O)c1[N+](=O)[O-] ZINC000598238941 361361909 /nfs/dbraw/zinc/36/19/09/361361909.db2.gz SWOXSKUQQGRMQO-HTQZYQBOSA-N 0 1 268.273 0.612 20 5 CCBDMN C[C@@H](F)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599313074 361647862 /nfs/dbraw/zinc/64/78/62/361647862.db2.gz DBQCVTXEHHABDA-ZCFIWIBFSA-N 0 1 280.281 0.355 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2CC=CC2)n1 ZINC000599392553 361682406 /nfs/dbraw/zinc/68/24/06/361682406.db2.gz VHDUEJHAQYUOLO-UHFFFAOYSA-N 0 1 286.313 0.573 20 5 CCBDMN O=[N+]([O-])c1ccccc1CN1C[C@@H](CO)[C@H](CO)C1 ZINC000599528746 361727860 /nfs/dbraw/zinc/72/78/60/361727860.db2.gz GSFVQCMAUUKORC-RYUDHWBXSA-N 0 1 266.297 0.627 20 5 CCBDMN O=[N+]([O-])c1cnc(Nc2cnn(CCO)c2)nc1 ZINC000612779175 364011062 /nfs/dbraw/zinc/01/10/62/364011062.db2.gz VTBYRZCBPOYOQL-UHFFFAOYSA-N 0 1 250.218 0.317 20 5 CCBDMN C[N@@H+](CCC(=O)[O-])C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565249023 291366882 /nfs/dbraw/zinc/36/68/82/291366882.db2.gz CLPSWBMPAMICLH-NSHDSACASA-N 0 1 298.295 0.741 20 5 CCBDMN CCN1CCC[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000330657408 203085921 /nfs/dbraw/zinc/08/59/21/203085921.db2.gz OGFBPEIPIBPYHR-SECBINFHSA-N 0 1 281.316 0.542 20 5 CCBDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000357976429 284116480 /nfs/dbraw/zinc/11/64/80/284116480.db2.gz RHWMFHDCPVSIHJ-SSDOTTSWSA-N 0 1 275.268 0.933 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(CO)C1 ZINC000331896561 204273166 /nfs/dbraw/zinc/27/31/66/204273166.db2.gz DTDYHJUQEUTQKU-UHFFFAOYSA-N 0 1 252.226 0.365 20 5 CCBDMN Cc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n[nH]1 ZINC000288262743 197038730 /nfs/dbraw/zinc/03/87/30/197038730.db2.gz PJFYJTNBUUOZSM-YFKPBYRVSA-N 0 1 292.255 0.613 20 5 CCBDMN O=C(NCC1(CO)CC2(CCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000279037316 194258268 /nfs/dbraw/zinc/25/82/68/194258268.db2.gz CHUWPIBCVAVUCE-UHFFFAOYSA-N 0 1 294.311 0.991 20 5 CCBDMN NC(=O)[C@]1(NCc2cc(O)ccc2[N+](=O)[O-])CCOC1 ZINC000572659408 291895062 /nfs/dbraw/zinc/89/50/62/291895062.db2.gz FUCFOGHFPTUECF-LBPRGKRZSA-N 0 1 281.268 0.034 20 5 CCBDMN CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000281202719 195146803 /nfs/dbraw/zinc/14/68/03/195146803.db2.gz SYIBZZQRJIMTFH-UHFFFAOYSA-N 0 1 298.368 0.634 20 5 CCBDMN O=C(N[C@H](CO)CC1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000338244111 389096238 /nfs/dbraw/zinc/09/62/38/389096238.db2.gz CXNIMIQRCNVCNI-VIFPVBQESA-N 0 1 282.300 0.989 20 5 CCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1nnc[nH]1 ZINC000227766226 389151222 /nfs/dbraw/zinc/15/12/22/389151222.db2.gz NFRQQBICFVYTIE-LURJTMIESA-N 0 1 264.245 0.542 20 5 CCBDMN CCC[C@]1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000365598786 389281952 /nfs/dbraw/zinc/28/19/52/389281952.db2.gz NKQHVFJKZNARKK-FOGDFJRCSA-N 0 1 256.302 0.663 20 5 CCBDMN COC(=O)[C@@H](CC(C)C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159697137 389371404 /nfs/dbraw/zinc/37/14/04/389371404.db2.gz JALKNOCVUIKCCE-SSDOTTSWSA-N 0 1 284.272 0.635 20 5 CCBDMN CC[C@H](C)[C@@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000160030140 389378196 /nfs/dbraw/zinc/37/81/96/389378196.db2.gz SMERTFXKJUKWSZ-XPUUQOCRSA-N 0 1 256.262 0.455 20 5 CCBDMN NC(=O)N[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270662634 389434250 /nfs/dbraw/zinc/43/42/50/389434250.db2.gz KJAYFWZCDDQPFN-SNVBAGLBSA-N 0 1 294.311 0.716 20 5 CCBDMN CCC[C@H]1C(=O)NCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000270951005 389436759 /nfs/dbraw/zinc/43/67/59/389436759.db2.gz ZCBNHYNSFODQHS-QMMMGPOBSA-N 0 1 295.299 0.367 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCNC(=O)[C@H]1c1cccs1 ZINC000374108452 389546737 /nfs/dbraw/zinc/54/67/37/389546737.db2.gz PZZSZTATUIOAMB-NQMVMOMDSA-N 0 1 295.320 0.413 20 5 CCBDMN CS(=O)(=O)N1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000400203713 389796756 /nfs/dbraw/zinc/79/67/56/389796756.db2.gz POOPYFRCCHXLQT-NSHDSACASA-N 0 1 299.352 0.718 20 5 CCBDMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1cc([N+](=O)[O-])n[nH]1 ZINC000352435997 389810706 /nfs/dbraw/zinc/81/07/06/389810706.db2.gz XBHZJPRBIUVIHU-UHFFFAOYSA-N 0 1 289.211 0.948 20 5 CCBDMN C[C@H]1[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000445155104 389921952 /nfs/dbraw/zinc/92/19/52/389921952.db2.gz BCGHCSBAAPZBEO-WCBMZHEXSA-N 0 1 294.311 0.908 20 5 CCBDMN C[C@H]1[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000445155104 389921953 /nfs/dbraw/zinc/92/19/53/389921953.db2.gz BCGHCSBAAPZBEO-WCBMZHEXSA-N 0 1 294.311 0.908 20 5 CCBDMN O=C(NCC[NH+]1CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436979123 389989330 /nfs/dbraw/zinc/98/93/30/389989330.db2.gz XNDOAPSUYVLCDU-UHFFFAOYSA-N 0 1 265.269 0.736 20 5 CCBDMN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000489937633 390103083 /nfs/dbraw/zinc/10/30/83/390103083.db2.gz LRJAGTKSNODRIF-JTQLQIEISA-N 0 1 266.301 0.493 20 5 CCBDMN COCCN1CCC[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554858567 390443519 /nfs/dbraw/zinc/44/35/19/390443519.db2.gz VSFSVTZEHGEYPG-SECBINFHSA-N 0 1 297.315 0.159 20 5 CCBDMN COc1cnccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000519565643 390510532 /nfs/dbraw/zinc/51/05/32/390510532.db2.gz FESPAQRDRVQFQR-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000427848926 533662273 /nfs/dbraw/zinc/66/22/73/533662273.db2.gz YGWMZZFGMDTJSX-JGVFFNPUSA-N 0 1 268.273 0.469 20 5 CCBDMN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CO ZINC000189724706 130016408 /nfs/dbraw/zinc/01/64/08/130016408.db2.gz XWQDSPAOKRALNN-NOZJJQNGSA-N 0 1 293.323 0.896 20 5 CCBDMN Cc1nc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)no1 ZINC000356595401 144017531 /nfs/dbraw/zinc/01/75/31/144017531.db2.gz MVGJKBFLBUREJA-UHFFFAOYSA-N 0 1 278.224 0.922 20 5 CCBDMN O=C(N[C@H]1C=C[C@H](CO)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356636499 144021492 /nfs/dbraw/zinc/02/14/92/144021492.db2.gz ROSUVWBDCDGRAE-WPRPVWTQSA-N 0 1 278.264 0.967 20 5 CCBDMN C[C@@H]1[C@@H](C)N(Cc2c([N+](=O)[O-])ncn2C)CCN1C ZINC000356981107 144047956 /nfs/dbraw/zinc/04/79/56/144047956.db2.gz GCGSMQITYMWDNN-NXEZZACHSA-N 0 1 267.333 0.853 20 5 CCBDMN CC(C)[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCN1C ZINC000549762019 286098265 /nfs/dbraw/zinc/09/82/65/286098265.db2.gz NSGIBBTTZMVTOE-SNVBAGLBSA-N 0 1 281.316 0.730 20 5 CCBDMN CN1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285005389 196176454 /nfs/dbraw/zinc/17/64/54/196176454.db2.gz NLQGWCXGHNUNCM-UHFFFAOYSA-N 0 1 253.262 0.096 20 5 CCBDMN CCC[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423499825 276050420 /nfs/dbraw/zinc/05/04/20/276050420.db2.gz BDJNERAMTSEIRJ-QMMMGPOBSA-N 0 1 267.289 0.532 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)nc1 ZINC000363915140 280380015 /nfs/dbraw/zinc/38/00/15/280380015.db2.gz XVMNCQKEXVYYHW-NEPJUHHUSA-N 0 1 293.327 0.420 20 5 CCBDMN CC[NH+]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000383679792 336116495 /nfs/dbraw/zinc/11/64/95/336116495.db2.gz WKAUCRAJXVFSKQ-UHFFFAOYSA-N 0 1 280.284 0.830 20 5 CCBDMN CCOC(=O)[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000354334117 521193712 /nfs/dbraw/zinc/19/37/12/521193712.db2.gz LRNQBGURWHYGTM-ZETCQYMHSA-N 0 1 284.272 0.650 20 5 CCBDMN CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000182447453 521227878 /nfs/dbraw/zinc/22/78/78/521227878.db2.gz OGYWLAUYBARDLS-RQJHMYQMSA-N 0 1 284.272 0.635 20 5 CCBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3c[nH]nn3)C2)nc1 ZINC000450562317 534882107 /nfs/dbraw/zinc/88/21/07/534882107.db2.gz GOTHOBGHZYJZHL-SECBINFHSA-N 0 1 289.299 0.794 20 5 CCBDMN CC(C)NC(=O)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000412856220 527707408 /nfs/dbraw/zinc/70/74/08/527707408.db2.gz MXWDSCULVJGBJA-QMMMGPOBSA-N 0 1 295.295 0.943 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](O)C3(CC3)C2)c1[N+](=O)[O-] ZINC000372357018 536002842 /nfs/dbraw/zinc/00/28/42/536002842.db2.gz KABSQWFCCPBCIE-MRVPVSSYSA-N 0 1 280.284 0.477 20 5 CCBDMN CN(Cc1ncon1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357466768 536486730 /nfs/dbraw/zinc/48/67/30/536486730.db2.gz LOPIYZFSRZDZMC-UHFFFAOYSA-N 0 1 278.224 0.956 20 5 CCBDMN COc1cccc2c1OC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000363335300 536965614 /nfs/dbraw/zinc/96/56/14/536965614.db2.gz OCHCCOXIOLOTAB-GMTAPVOTSA-N 0 1 292.291 0.780 20 5 CCBDMN O=C(N[C@@H](CO)C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780741140 581243610 /nfs/dbraw/zinc/24/36/10/581243610.db2.gz LCAXRYZHQVKYQD-NSHDSACASA-N 0 1 266.253 0.801 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000748347676 581274763 /nfs/dbraw/zinc/27/47/63/581274763.db2.gz FPDIYSIQYGWIRM-ZETCQYMHSA-N 0 1 267.289 0.402 20 5 CCBDMN C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000783916243 581367285 /nfs/dbraw/zinc/36/72/85/581367285.db2.gz IWDZOPOKTBGADL-VIFPVBQESA-N 0 1 294.311 0.910 20 5 CCBDMN C[C@H]1CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000783916243 581367287 /nfs/dbraw/zinc/36/72/87/581367287.db2.gz IWDZOPOKTBGADL-VIFPVBQESA-N 0 1 294.311 0.910 20 5 CCBDMN CCOC(=O)[C@@H](COC)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000766317525 581562461 /nfs/dbraw/zinc/56/24/61/581562461.db2.gz JKORWHRGAFKBPP-MRVPVSSYSA-N 0 1 286.240 0.658 20 5 CCBDMN O=C(OCCNc1ncccn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000731769430 581781663 /nfs/dbraw/zinc/78/16/63/581781663.db2.gz HVJVFCYAWZAYBC-UHFFFAOYSA-N 0 1 277.240 0.982 20 5 CCBDMN O=C([O-])C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000819380434 597075941 /nfs/dbraw/zinc/07/59/41/597075941.db2.gz MCDQLRLYCYEORP-JTQLQIEISA-N 0 1 282.300 0.978 20 5 CCBDMN Cc1nn(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000821216452 598225466 /nfs/dbraw/zinc/22/54/66/598225466.db2.gz BDDSOQUWFKUHCU-MRVPVSSYSA-N 0 1 254.246 0.464 20 5 CCBDMN Cc1nn(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000821216452 598225467 /nfs/dbraw/zinc/22/54/67/598225467.db2.gz BDDSOQUWFKUHCU-MRVPVSSYSA-N 0 1 254.246 0.464 20 5 CCBDMN CS(=O)(=O)c1ccccc1CCNCC[N+](=O)[O-] ZINC000905556863 617190129 /nfs/dbraw/zinc/19/01/29/617190129.db2.gz RHMBGWZHKPHKPY-UHFFFAOYSA-N 0 1 272.326 0.499 20 5 CCBDMN CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840357214 613996217 /nfs/dbraw/zinc/99/62/17/613996217.db2.gz ALNAKNJTGGWCHJ-KXUCPTDWSA-N 0 1 270.285 0.594 20 5 CCBDMN CC(C)C[C@@H](CCO)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839697512 614187475 /nfs/dbraw/zinc/18/74/75/614187475.db2.gz ZYSGBXBONASAJR-GMTAPVOTSA-N 0 1 258.318 0.813 20 5 CCBDMN CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839699335 614000138 /nfs/dbraw/zinc/00/01/38/614000138.db2.gz WGMKQISNHIYYBA-KXUCPTDWSA-N 0 1 284.312 0.984 20 5 CCBDMN CC(C)[C@H](N)c1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000843150950 614228451 /nfs/dbraw/zinc/22/84/51/614228451.db2.gz WXIIWWUZJKYICO-NSHDSACASA-N 0 1 293.283 0.844 20 5 CCBDMN CC/C=C/[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000851336436 614418318 /nfs/dbraw/zinc/41/83/18/614418318.db2.gz WCGNCRYGQJTYLB-VARVQHAUSA-N 0 1 257.242 0.703 20 5 CCBDMN CCCC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000840670931 614487511 /nfs/dbraw/zinc/48/75/11/614487511.db2.gz YUQQXFKLAXHMKP-HLTSFMKQSA-N 0 1 259.258 0.927 20 5 CCBDMN CC1(C(N)=O)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000829070774 614498507 /nfs/dbraw/zinc/49/85/07/614498507.db2.gz YRDKQZHEJHNLLX-NSHDSACASA-N 0 1 279.296 0.435 20 5 CCBDMN CC1(C)CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])OC1 ZINC000881515606 614573969 /nfs/dbraw/zinc/57/39/69/614573969.db2.gz LDFKDKKKLYWHPB-OPRDCNLKSA-N 0 1 256.302 0.973 20 5 CCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCF)C1 ZINC000950056157 614652162 /nfs/dbraw/zinc/65/21/62/614652162.db2.gz VBFLFWDXFQNCOJ-NXEZZACHSA-N 0 1 259.281 0.154 20 5 CCBDMN CCNC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000835762240 615067154 /nfs/dbraw/zinc/06/71/54/615067154.db2.gz STYXFRBJMGVSIX-LURJTMIESA-N 0 1 255.230 0.604 20 5 CCBDMN CCOCCOCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839734884 615270585 /nfs/dbraw/zinc/27/05/85/615270585.db2.gz ZNXGOKJSSZMNHB-NXEZZACHSA-N 0 1 260.290 0.163 20 5 CCBDMN CCN1CC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000882481682 615312581 /nfs/dbraw/zinc/31/25/81/615312581.db2.gz DPNKBQPENDHMSL-VIFPVBQESA-N 0 1 267.289 0.002 20 5 CCBDMN CCOC(=O)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)C(C)=O ZINC000842370893 615369295 /nfs/dbraw/zinc/36/92/95/615369295.db2.gz ABQIASCAUXGZDF-PEBGCTIMSA-N 0 1 287.268 0.352 20 5 CCBDMN CC[C@@H](C)N(CC(=O)OC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840443917 615455626 /nfs/dbraw/zinc/45/56/26/615455626.db2.gz OHDUCNGHCHEOPC-IWSPIJDZSA-N 0 1 258.274 0.452 20 5 CCBDMN CN(C)C(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839488368 615837114 /nfs/dbraw/zinc/83/71/14/615837114.db2.gz OHVGHLVHGPNFRI-GHMZBOCLSA-N 0 1 277.280 0.992 20 5 CCBDMN CCn1cc(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000839683286 615982544 /nfs/dbraw/zinc/98/25/44/615982544.db2.gz FYKIAVMCWSCADF-NXEZZACHSA-N 0 1 252.274 0.527 20 5 CCBDMN CN(C[C@@H](O)Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839777857 616132610 /nfs/dbraw/zinc/13/26/10/616132610.db2.gz AGJBKDQJCJSPCZ-YNEHKIRRSA-N 0 1 278.308 0.714 20 5 CCBDMN CN1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])Cc2ccccc21 ZINC000824945000 616295826 /nfs/dbraw/zinc/29/58/26/616295826.db2.gz PKHLPXFDGCCVOH-DMDPSCGWSA-N 0 1 275.308 0.829 20 5 CCBDMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000913534649 616369598 /nfs/dbraw/zinc/36/95/98/616369598.db2.gz FDZYXUMGYRXICI-AOOOYVTPSA-N 0 1 292.295 0.614 20 5 CCBDMN CN1CC[C@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])C1=O ZINC000837645397 616385970 /nfs/dbraw/zinc/38/59/70/616385970.db2.gz ZEZKPBQPUPGNKW-JTQLQIEISA-N 0 1 294.263 0.822 20 5 CCBDMN C[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000928559947 616430985 /nfs/dbraw/zinc/43/09/85/616430985.db2.gz NGOASPOZGBXCDY-VIFPVBQESA-N 0 1 265.269 0.734 20 5 CCBDMN C[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000928559947 616430987 /nfs/dbraw/zinc/43/09/87/616430987.db2.gz NGOASPOZGBXCDY-VIFPVBQESA-N 0 1 265.269 0.734 20 5 CCBDMN COC(=O)C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000855907187 616640757 /nfs/dbraw/zinc/64/07/57/616640757.db2.gz UNUJSKZSOVNLTP-IVZWLZJFSA-N 0 1 270.285 0.357 20 5 CCBDMN COC(=O)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000820037989 616720234 /nfs/dbraw/zinc/72/02/34/616720234.db2.gz WILUMFQOBWLAOX-VXGBXAGGSA-N 0 1 292.291 0.684 20 5 CCBDMN COC[C@@H](O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000801733084 616922437 /nfs/dbraw/zinc/92/24/37/616922437.db2.gz RYJQGHWHLSUXHE-JTQLQIEISA-N 0 1 298.295 0.463 20 5 CCBDMN COC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840301352 617013145 /nfs/dbraw/zinc/01/31/45/617013145.db2.gz GIJLTJLXHAJTOD-MXWKQRLJSA-N 0 1 278.264 0.682 20 5 CCBDMN COCCN(Cc1ccnn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839748156 617029067 /nfs/dbraw/zinc/02/90/67/617029067.db2.gz XNILRUQCFUWKQT-GHMZBOCLSA-N 0 1 282.300 0.060 20 5 CCBDMN CO[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1(C)C ZINC000839782524 617099856 /nfs/dbraw/zinc/09/98/56/617099856.db2.gz JEDSSCGYDZBGMS-BBBLOLIVSA-N 0 1 256.302 0.925 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCNC(C)(C)C1 ZINC000262143661 624816065 /nfs/dbraw/zinc/81/60/65/624816065.db2.gz PZJWXKWVHPMPEO-UHFFFAOYSA-N 0 1 267.289 0.152 20 5 CCBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H]2CO)c1 ZINC000934027390 625003453 /nfs/dbraw/zinc/00/34/53/625003453.db2.gz UBZWRVLDLLQOFX-RYUDHWBXSA-N 0 1 282.296 0.401 20 5 CCBDMN O=C(NCCNCC[N+](=O)[O-])c1c(F)cccc1F ZINC000905110343 634798231 /nfs/dbraw/zinc/79/82/31/634798231.db2.gz MVZNEFZNBMRMHW-UHFFFAOYSA-N 0 1 273.239 0.561 20 5 CCBDMN O=[N+]([O-])CCNC[C@H](N1CCOCC1)C(F)(F)F ZINC000905257641 634828661 /nfs/dbraw/zinc/82/86/61/634828661.db2.gz SFWUDZDNQFCWKP-QMMMGPOBSA-N 0 1 271.239 0.116 20 5 CCBDMN CS(=O)(=O)C1(CNCC[N+](=O)[O-])CCCC1 ZINC000905258016 634828821 /nfs/dbraw/zinc/82/88/21/634828821.db2.gz VMASJCAQIAUFLI-UHFFFAOYSA-N 0 1 250.320 0.210 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(C/C=C\Cl)CC1 ZINC000981138647 631237233 /nfs/dbraw/zinc/23/72/33/631237233.db2.gz XDAYBCMDNZTFOT-UVTYTBDNSA-N 0 1 287.747 0.938 20 5 CCBDMN O=C1NCCN1Cc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905407565 634860399 /nfs/dbraw/zinc/86/03/99/634860399.db2.gz CUMUPEWYQKJWGP-UHFFFAOYSA-N 0 1 278.312 0.578 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](c2ncccn2)C1 ZINC000899520026 633836246 /nfs/dbraw/zinc/83/62/46/633836246.db2.gz XGDHBJHQTRIUPN-HBNTYKKESA-N 0 1 276.296 0.848 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](N2CCC2)C1 ZINC000912908931 636697537 /nfs/dbraw/zinc/69/75/37/636697537.db2.gz QNTUKQAAVRHYAF-MRVPVSSYSA-N 0 1 265.273 0.238 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)NC12CCN(CC1)C2 ZINC000913626578 637388186 /nfs/dbraw/zinc/38/81/86/637388186.db2.gz YKVNIZZTLQJWFY-UHFFFAOYSA-N 0 1 276.296 0.876 20 5 CCBDMN O=C(N[C@@]1(c2ccccc2)C[C@@H](O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000914176498 637546662 /nfs/dbraw/zinc/54/66/62/637546662.db2.gz IXTIKMWWLKSPQB-BYNQJWBRSA-N 0 1 276.292 0.818 20 5 CCBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCC1 ZINC001000599132 639136270 /nfs/dbraw/zinc/13/62/70/639136270.db2.gz PILAVEWMMDJNDQ-GHMZBOCLSA-N 0 1 281.312 0.026 20 5 CCBDMN O=C(NCC1CN(C(=O)C2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001804387 639340741 /nfs/dbraw/zinc/34/07/41/639340741.db2.gz BFASHVXJEBBQHV-VXGBXAGGSA-N 0 1 295.339 0.416 20 5 CCBDMN Cc1ccc([C@@H](O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839529743 640322460 /nfs/dbraw/zinc/32/24/60/640322460.db2.gz ZLRLSOFECAEDNC-UTUOFQBUSA-N 0 1 264.281 0.810 20 5 CCBDMN O=C(NCC[S@](=O)Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839677793 640353000 /nfs/dbraw/zinc/35/30/00/640353000.db2.gz WZDAESIRLBGNBI-HTGLOVNISA-N 0 1 296.348 0.717 20 5 CCBDMN CN(C)c1ncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000839712768 640356612 /nfs/dbraw/zinc/35/66/12/640356612.db2.gz LLXSTSCWZUXTOB-HTQZYQBOSA-N 0 1 251.246 0.146 20 5 CCBDMN O=C(N[C@H](CO)Cc1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839724316 640358373 /nfs/dbraw/zinc/35/83/73/640358373.db2.gz MSBRIOXJZMTWLI-QJPTWQEYSA-N 0 1 282.271 0.511 20 5 CCBDMN C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839723139 640358681 /nfs/dbraw/zinc/35/86/81/640358681.db2.gz FWHGTHFATAZLHP-GWOFURMSSA-N 0 1 256.302 0.973 20 5 CCBDMN O=C(N[C@@H](CO)Cc1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839724315 640358736 /nfs/dbraw/zinc/35/87/36/640358736.db2.gz MSBRIOXJZMTWLI-IJLUTSLNSA-N 0 1 282.271 0.511 20 5 CCBDMN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839774755 640363558 /nfs/dbraw/zinc/36/35/58/640363558.db2.gz RFRAKGYPHXNUEF-IWSPIJDZSA-N 0 1 295.261 0.795 20 5 CCBDMN C[C@H](O)CN(CC(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839787437 640365476 /nfs/dbraw/zinc/36/54/76/640365476.db2.gz MWZVWGRGLPOXPT-RRKCRQDMSA-N 0 1 252.217 0.126 20 5 CCBDMN Cn1cnc(CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000808396822 640862281 /nfs/dbraw/zinc/86/22/81/640862281.db2.gz ZYQHPLYXDJOVDM-UHFFFAOYSA-N 0 1 250.262 0.315 20 5 CCBDMN O=C(NC[C@@H]1C[C@H]2CCC[C@H]2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000834366647 642557847 /nfs/dbraw/zinc/55/78/47/642557847.db2.gz LWYNUKUGJFDEIS-RCZSTQMZSA-N 0 1 254.286 0.725 20 5 CCBDMN NC(=O)C1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000837674164 642761978 /nfs/dbraw/zinc/76/19/78/642761978.db2.gz UVUUTAGKTKPLEJ-UHFFFAOYSA-N 0 1 294.263 0.999 20 5 CCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000840671905 642785102 /nfs/dbraw/zinc/78/51/02/642785102.db2.gz FGVQHFMFFYBQLN-NXEZZACHSA-N 0 1 294.219 0.986 20 5 CCBDMN O=C(Nc1ccccc1-n1cnnn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841057529 642802117 /nfs/dbraw/zinc/80/21/17/642802117.db2.gz JPIAPZJYGALJFW-GMSGAONNSA-N 0 1 274.240 0.266 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1C1CCC1 ZINC000843701761 643101937 /nfs/dbraw/zinc/10/19/37/643101937.db2.gz XZFPLMCHVFKUGA-GMTAPVOTSA-N 0 1 254.286 0.679 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(Cn2cnnc2)CC1 ZINC000844877988 643253760 /nfs/dbraw/zinc/25/37/60/643253760.db2.gz NNRCIEXNDFYZIM-GHMZBOCLSA-N 0 1 279.300 0.182 20 5 CCBDMN O=C(NC[C@@H]1C[C@H]1c1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC000847136508 643489537 /nfs/dbraw/zinc/48/95/37/643489537.db2.gz MMIUUMKGFMFHKN-NNYUYHANSA-N 0 1 261.281 0.967 20 5 CCBDMN O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)c1n[nH]cc1[N+](=O)[O-] ZINC000848367467 643629296 /nfs/dbraw/zinc/62/92/96/643629296.db2.gz ZOURLOJZOVBFPY-SSDOTTSWSA-N 0 1 295.255 0.031 20 5 CCBDMN O=C(OC[C@H]1[C@@H]2COC[C@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000851481998 643851486 /nfs/dbraw/zinc/85/14/86/643851486.db2.gz DUMNJYINVVGGEL-JIGDXULJSA-N 0 1 252.226 0.972 20 5 CCBDMN NC(=O)C1(NCc2ccc([N+](=O)[O-])c(F)c2)CCOCC1 ZINC000852493765 643971468 /nfs/dbraw/zinc/97/14/68/643971468.db2.gz SYCMXVYKDVKQOI-UHFFFAOYSA-N 0 1 297.286 0.858 20 5 CCBDMN Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)CO ZINC000855114399 644288694 /nfs/dbraw/zinc/28/86/94/644288694.db2.gz MAIXGXLGBRZECM-OPRDCNLKSA-N 0 1 296.327 0.261 20 5 CCBDMN CCCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019012273 650930196 /nfs/dbraw/zinc/93/01/96/650930196.db2.gz BRRBCQCQRVHXSV-GHMZBOCLSA-N 0 1 295.339 0.513 20 5 CCBDMN COc1cncc(COC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000859720149 644726604 /nfs/dbraw/zinc/72/66/04/644726604.db2.gz HUEOPTPIXJMMGP-HTQZYQBOSA-N 0 1 253.214 0.194 20 5 CCBDMN O=C(OC[C@@H]1CCC2(CCOCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000861125156 644858079 /nfs/dbraw/zinc/85/80/79/644858079.db2.gz RKIVXJZOYSWODQ-HBNTYKKESA-N 0 1 285.296 0.923 20 5 CCBDMN O=C(N[C@H]1Cc2ccccc2NC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862991939 645054666 /nfs/dbraw/zinc/05/46/66/645054666.db2.gz GROHUEBOUUAWRP-DVVUODLYSA-N 0 1 275.264 0.331 20 5 CCBDMN C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000871436498 646142089 /nfs/dbraw/zinc/14/20/89/646142089.db2.gz XWJFYZVKLKWQSS-BHNWBGBOSA-N 0 1 282.218 0.831 20 5 CCBDMN NC(=O)[C@@H]1CN(CC[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000930717100 648894230 /nfs/dbraw/zinc/89/42/30/648894230.db2.gz GHKIXSRZWFOBNH-NWDGAFQWSA-N 0 1 263.297 0.464 20 5 CCBDMN C[C@@H](O)[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000931616598 649009491 /nfs/dbraw/zinc/00/94/91/649009491.db2.gz BPJSYENQEJFUJS-KBVBSXBZSA-N 0 1 254.286 0.987 20 5 CCBDMN O=C(NCCc1nc[nH]n1)c1cc(F)ccc1[N+](=O)[O-] ZINC000080586255 649557011 /nfs/dbraw/zinc/55/70/11/649557011.db2.gz IGMWWPWMOSCHDL-UHFFFAOYSA-N 0 1 279.231 0.825 20 5 CCBDMN CN1CCO[C@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@@H]21 ZINC001164668323 719371997 /nfs/dbraw/zinc/37/19/97/719371997.db2.gz MUWOAWZOQFIEHK-QWRGUYRKSA-N 0 1 264.285 0.509 20 5 CCBDMN CN1CCO[C@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@@H]21 ZINC001164669732 719379566 /nfs/dbraw/zinc/37/95/66/719379566.db2.gz ROKPKQBUMGOUGB-UWVGGRQHSA-N 0 1 264.285 0.509 20 5 CCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H]2OCCN(C)[C@H]2C1 ZINC001164674318 719409174 /nfs/dbraw/zinc/40/91/74/719409174.db2.gz WGMOGIVTIAADIG-NWDGAFQWSA-N 0 1 294.311 0.056 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CN2CCC1CC2 ZINC001120774168 798934900 /nfs/dbraw/zinc/93/49/00/798934900.db2.gz KMKJHVJUIGCAHF-LLVKDONJSA-N 0 1 279.300 0.002 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCSC[C@H]1CO ZINC001137625550 799678365 /nfs/dbraw/zinc/67/83/65/799678365.db2.gz MZMTVPYNCFLSKX-SNVBAGLBSA-N 0 1 298.320 0.850 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nnc2n1CCC2 ZINC001142056966 800063025 /nfs/dbraw/zinc/06/30/25/800063025.db2.gz JQBZEADRNSNGDK-XLPZGREQSA-N 0 1 265.273 0.067 20 5 CCBDMN Cc1cnc(-n2c(C)ncc(CN)c2=N)c([N+](=O)[O-])c1 ZINC001156825560 801243799 /nfs/dbraw/zinc/24/37/99/801243799.db2.gz QCEIFNAPALBIPX-UHFFFAOYSA-N 0 1 274.284 0.731 20 5 CCBDMN Cc1cnc(CN)n1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001158163752 801580048 /nfs/dbraw/zinc/58/00/48/801580048.db2.gz CHQXJGGEDDJLBJ-UHFFFAOYSA-N 0 1 283.675 0.834 20 5 CCBDMN COC(=O)c1cnc(NC[C@H]2COCCN2)c([N+](=O)[O-])c1 ZINC001159042254 801747379 /nfs/dbraw/zinc/74/73/79/801747379.db2.gz DKZIAKLEBHZCMY-VIFPVBQESA-N 0 1 296.283 0.177 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2COCCN2)n1 ZINC001159046781 801750293 /nfs/dbraw/zinc/75/02/93/801750293.db2.gz MOCYFKLCUYUGKL-MRVPVSSYSA-N 0 1 296.283 0.177 20 5 CCBDMN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncc(F)cc1[N+](=O)[O-] ZINC001159294227 801786764 /nfs/dbraw/zinc/78/67/64/801786764.db2.gz ZEYADMVQKQFOIS-UHFFFAOYSA-N 0 1 281.247 0.830 20 5 CCBDMN CCOc1nc(N[C@@](N)(CC)CO)ccc1[N+](=O)[O-] ZINC001159742551 801858006 /nfs/dbraw/zinc/85/80/06/801858006.db2.gz BBVLKISTQDDCON-NSHDSACASA-N 0 1 270.289 0.858 20 5 CCBDMN Cc1nc(-n2c(CN)nc3cnccc32)ncc1[N+](=O)[O-] ZINC001162219735 802291594 /nfs/dbraw/zinc/29/15/94/802291594.db2.gz CDXQULUNMWTTHJ-UHFFFAOYSA-N 0 1 285.267 0.886 20 5 CCBDMN O=[N+]([O-])c1nccnc1NCc1noc2c1CNCC2 ZINC001163125677 802487504 /nfs/dbraw/zinc/48/75/04/802487504.db2.gz DUWFYJSXBFAHFO-UHFFFAOYSA-N 0 1 276.256 0.631 20 5 CCBDMN Cc1nnc(CN)n1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001163346658 802539357 /nfs/dbraw/zinc/53/93/57/802539357.db2.gz SDEFICXRFKDAQZ-UHFFFAOYSA-N 0 1 268.664 0.991 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(-n2c(C)nnc2CN)n1 ZINC001163354055 802545405 /nfs/dbraw/zinc/54/54/05/802545405.db2.gz WAICROKFXDJANB-UHFFFAOYSA-N 0 1 292.255 0.124 20 5 CCBDMN O=C1NC(=O)[C@@H](Nc2nccnc2[N+](=O)[O-])S1 ZINC001163662223 802584980 /nfs/dbraw/zinc/58/49/80/802584980.db2.gz LJVFGNIJRRVKNH-LURJTMIESA-N 0 1 255.215 0.106 20 5 CCBDMN Nc1cc([N+](=O)[O-])cnc1N1CC[C@@H](N)C(F)(F)C1 ZINC001166958993 802994411 /nfs/dbraw/zinc/99/44/11/802994411.db2.gz OMBCIGBYMUGQBN-MRVPVSSYSA-N 0 1 273.243 0.745 20 5 CCBDMN O=c1[n-]cnc(O[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001228145116 805418211 /nfs/dbraw/zinc/41/82/11/805418211.db2.gz ZNFJAAVGNCYPER-QMMMGPOBSA-N 0 1 266.257 0.563 20 5 CCBDMN O=c1[nH]c(C2CC2)nc(OC[C@H]2COCCO2)c1[N+](=O)[O-] ZINC001228602736 805458188 /nfs/dbraw/zinc/45/81/88/805458188.db2.gz FEFWVLQZDNLUBM-MRVPVSSYSA-N 0 1 297.267 0.762 20 5 CCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1noc(C)n1 ZINC001126889310 815193671 /nfs/dbraw/zinc/19/36/71/815193671.db2.gz QUXVRNWHSZGBQB-GJMOJQLCSA-N 0 1 254.246 0.611 20 5 CCBDMN O=C(NC[C@H](CO)CC1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001261361765 808961039 /nfs/dbraw/zinc/96/10/39/808961039.db2.gz DDIIZTBPHSFEPD-IJLUTSLNSA-N 0 1 286.328 0.193 20 5 CCBDMN CO[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001261748033 809075348 /nfs/dbraw/zinc/07/53/48/809075348.db2.gz FIODMMDBPBWQCF-VXNVDRBHSA-N 0 1 284.272 0.099 20 5 CCBDMN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1nnn(C)n1 ZINC001128410330 818225134 /nfs/dbraw/zinc/22/51/34/818225134.db2.gz URSFMTMEYVCZEX-UHFFFAOYSA-N 0 1 280.219 0.818 20 5 CCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)C1CC1 ZINC001062989121 820127939 /nfs/dbraw/zinc/12/79/39/820127939.db2.gz OXWDZCXIJLJYSX-NXEZZACHSA-N 0 1 281.312 0.217 20 5 CCBDMN COc1cc(-n2nnnc2CN)cc([N+](=O)[O-])c1C ZINC001168923721 836055434 /nfs/dbraw/zinc/05/54/34/836055434.db2.gz CYLVECCTAFGTGE-UHFFFAOYSA-N 0 1 264.245 0.346 20 5 CCBDMN COC[C@H]1COCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169043824 836113621 /nfs/dbraw/zinc/11/36/21/836113621.db2.gz HXZDSXNUIRKMQB-TUAOUCFPSA-N 0 1 258.318 0.779 20 5 CCBDMN C[C@H]1CN(C)C(=O)CN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049648 836116810 /nfs/dbraw/zinc/11/68/10/836116810.db2.gz XGVUXUAWUHKMLX-GARJFASQSA-N 0 1 255.318 0.594 20 5 CCBDMN CS(=O)(=O)c1ccc(-n2nncc2CN)c([N+](=O)[O-])c1 ZINC001169311707 836212381 /nfs/dbraw/zinc/21/23/81/836212381.db2.gz SDVUXDZKDVDPEQ-UHFFFAOYSA-N 0 1 297.296 0.038 20 5 CCBDMN CN(C)C=Cc1cc(=NOCC[NH3+])[n-]cc1[N+](=O)[O-] ZINC001156295058 836215333 /nfs/dbraw/zinc/21/53/33/836215333.db2.gz YHKNFXBUVBBACB-HWKANZROSA-N 0 1 267.289 0.824 20 5 CCBDMN O=[N+]([O-])c1c2[nH]cnc2ccc1NC[C@H]1COCCN1 ZINC001170045850 836784445 /nfs/dbraw/zinc/78/44/45/836784445.db2.gz VUMWMGPQPSDKDT-QMMMGPOBSA-N 0 1 277.284 0.871 20 5 CCBDMN COC(=O)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC001131409853 838089040 /nfs/dbraw/zinc/08/90/40/838089040.db2.gz JUDBPVNIBYLWNY-MWLCHTKSSA-N 0 1 296.254 0.894 20 5 CCBDMN COC[C@](C)(CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001175285099 842237692 /nfs/dbraw/zinc/23/76/92/842237692.db2.gz WJXYQSFYKRVNAA-ZDUSSCGKSA-N 0 1 297.311 0.520 20 5 CCBDMN CCc1ncc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[nH]1 ZINC001178669915 842894163 /nfs/dbraw/zinc/89/41/63/842894163.db2.gz QZYVXZYTTVNQBJ-UHFFFAOYSA-N 0 1 264.245 0.533 20 5 CCBDMN O=C(NCCc1nc2c(s1)COCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001179292461 842981660 /nfs/dbraw/zinc/98/16/60/842981660.db2.gz FPRFDPFGMIWKFL-VXNVDRBHSA-N 0 1 297.336 0.540 20 5 CCBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001118238394 856219102 /nfs/dbraw/zinc/21/91/02/856219102.db2.gz GHWPXDNDFCFRQG-VHSXEESVSA-N 0 1 282.300 0.976 20 5 CCBDMN C[C@H](Nc1ccncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001119973933 856944462 /nfs/dbraw/zinc/94/44/62/856944462.db2.gz IWQHVPQVSSRVPM-GWCFXTLKSA-N 0 1 279.344 0.458 20 5 CCBDMN C[C@H](Nc1ccncc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001119973933 856944465 /nfs/dbraw/zinc/94/44/65/856944465.db2.gz IWQHVPQVSSRVPM-GWCFXTLKSA-N 0 1 279.344 0.458 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3nc[nH]c3C2)n1 ZINC001324676937 912978093 /nfs/dbraw/zinc/97/80/93/912978093.db2.gz PEUPQBBNJJVQAU-ZETCQYMHSA-N 0 1 290.283 0.339 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CC[C@H](c2nc[nH]n2)C1 ZINC001351770940 891911192 /nfs/dbraw/zinc/91/11/92/891911192.db2.gz XUMVUMXZNWENSI-ZETCQYMHSA-N 0 1 263.261 0.440 20 5 CCBDMN CCC(CC)C(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001299315242 899422868 /nfs/dbraw/zinc/42/28/68/899422868.db2.gz FGPNYGLYXRBGFN-VXGBXAGGSA-N 0 1 297.355 0.757 20 5 CCBDMN Cc1cnc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC001293967496 906538517 /nfs/dbraw/zinc/53/85/17/906538517.db2.gz UICGIXDNPYHHOK-UHFFFAOYSA-N 0 1 251.202 0.544 20 5 CCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C=C(C)C ZINC001296501952 906926224 /nfs/dbraw/zinc/92/62/24/906926224.db2.gz LCHPORLVGDUJDK-VXGBXAGGSA-N 0 1 297.355 0.973 20 5 CCBDMN C[C@]1(CO)C[C@@H](O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001301121051 907954676 /nfs/dbraw/zinc/95/46/76/907954676.db2.gz AYSZXNQMNXZRIO-DGCLKSJQSA-N 0 1 296.279 0.258 20 5 CCBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C1=NN(C)CC1=O ZINC001304542759 908171299 /nfs/dbraw/zinc/17/12/99/908171299.db2.gz BAIABRFFFGKJAS-ZETCQYMHSA-N 0 1 291.267 0.920 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC001307848453 908356559 /nfs/dbraw/zinc/35/65/59/908356559.db2.gz HXTMJHRIRKNUGA-IACUBPJLSA-N 0 1 296.323 0.303 20 5 CCBDMN Cn1cc(CN2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])n1 ZINC001333391049 918860554 /nfs/dbraw/zinc/86/05/54/918860554.db2.gz DCLSEXPFAWXBGE-DHHPTOIESA-N 0 1 280.328 0.921 20 5 CCBDMN O=C(N[C@@H]1CCn2cncc21)c1n[nH]cc1[N+](=O)[O-] ZINC001351288076 925397091 /nfs/dbraw/zinc/39/70/91/925397091.db2.gz NUCFJNKFDXFROV-ZCFIWIBFSA-N 0 1 262.229 0.389 20 5 CCBDMN O=C(N[C@@H]1CCn2c[nH+]cc21)c1[n-]ncc1[N+](=O)[O-] ZINC001351288076 925397100 /nfs/dbraw/zinc/39/71/00/925397100.db2.gz NUCFJNKFDXFROV-ZCFIWIBFSA-N 0 1 262.229 0.389 20 5 CCBDMN CC(C)(C)CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001358647939 926772467 /nfs/dbraw/zinc/77/24/67/926772467.db2.gz BWIMRGJDTYQFJO-NXEZZACHSA-N 0 1 297.355 0.853 20 5 CCBDMN C[C@@H]1CC(=O)NN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001473534143 926790348 /nfs/dbraw/zinc/79/03/48/926790348.db2.gz VDUJFCSLJHQNOE-SSDOTTSWSA-N 0 1 251.242 0.926 20 5 CCBDMN Cc1cc(CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])n[nH]1 ZINC001443931288 929746932 /nfs/dbraw/zinc/74/69/32/929746932.db2.gz IZSGPELKWURYBD-UHFFFAOYSA-N 0 1 278.272 0.448 20 5 CCBDMN C[C@@H](C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-])C(=O)[O-] ZINC001589034192 955549167 /nfs/dbraw/zinc/54/91/67/955549167.db2.gz RCRWHANHXXNWSX-ZETCQYMHSA-N 0 1 256.262 0.481 20 5 CCBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000401908876 973521625 /nfs/dbraw/zinc/52/16/25/973521625.db2.gz JHVLBBKJTQZBSU-ZYHUDNBSSA-N 0 1 280.280 0.862 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1CN(CCO)CCO ZINC000600179875 361883741 /nfs/dbraw/zinc/88/37/41/361883741.db2.gz ZQGPOOUQCVNYHA-UHFFFAOYSA-N 0 1 254.286 0.690 20 5 CCBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000600580035 362012877 /nfs/dbraw/zinc/01/28/77/362012877.db2.gz QXJFWWVADPGKEE-OTSSQURYSA-N 0 1 293.279 0.636 20 5 CCBDMN C[N@H+]1CC[C@](O)(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000358421049 529809768 /nfs/dbraw/zinc/80/97/68/529809768.db2.gz CPGOXVXCLKQVQE-ZDUSSCGKSA-N 0 1 295.295 0.097 20 5 CCBDMN O=C(NCCN1CC[C@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601685871 362355785 /nfs/dbraw/zinc/35/57/85/362355785.db2.gz ADGCTRBGFXJENQ-VIFPVBQESA-N 0 1 297.286 0.530 20 5 CCBDMN Cc1nccnc1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000358201522 232062409 /nfs/dbraw/zinc/06/24/09/232062409.db2.gz WNLUEIOICJKNSD-UHFFFAOYSA-N 0 1 276.256 0.389 20 5 CCBDMN CC[C@H](CO)N1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602487908 362641677 /nfs/dbraw/zinc/64/16/77/362641677.db2.gz WWUPKRXKXIBWKZ-GFCCVEGCSA-N 0 1 297.359 0.217 20 5 CCBDMN Cc1sc(C(=O)NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000602549897 362673206 /nfs/dbraw/zinc/67/32/06/362673206.db2.gz FJBBBIHXYOSJEM-MRVPVSSYSA-N 0 1 285.325 0.683 20 5 CCBDMN CN(CCCCCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602638464 362725214 /nfs/dbraw/zinc/72/52/14/362725214.db2.gz DISCDINQPJNCDG-UHFFFAOYSA-N 0 1 256.306 0.923 20 5 CCBDMN CO[C@@H]1CCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602841097 362829608 /nfs/dbraw/zinc/82/96/08/362829608.db2.gz QBZGVZDCZKPTKO-NXEZZACHSA-N 0 1 254.290 0.985 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2CC(N)=O)c1[N+](=O)[O-] ZINC000343057202 137112602 /nfs/dbraw/zinc/11/26/02/137112602.db2.gz RSJOKAVTHIDHER-QMMMGPOBSA-N 0 1 295.299 0.496 20 5 CCBDMN Cn1cc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000343197505 137120021 /nfs/dbraw/zinc/12/00/21/137120021.db2.gz JZSFWDWMXLBNOA-UHFFFAOYSA-N 0 1 264.245 0.024 20 5 CCBDMN Cc1nccn1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343375788 137132005 /nfs/dbraw/zinc/13/20/05/137132005.db2.gz WNZUZSFZXKFBIG-UHFFFAOYSA-N 0 1 264.245 0.253 20 5 CCBDMN NC(=O)[C@H]1CCCN1CCCNc1ccc([N+](=O)[O-])nc1 ZINC000344424476 137193559 /nfs/dbraw/zinc/19/35/59/137193559.db2.gz UCRDEJOLYOLRNW-LLVKDONJSA-N 0 1 293.327 0.742 20 5 CCBDMN COc1ccc(C(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000019384512 348061033 /nfs/dbraw/zinc/06/10/33/348061033.db2.gz AWUSYHWRZIQIFJ-UHFFFAOYSA-N 0 1 265.269 0.649 20 5 CCBDMN Cc1ncc(CNCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000344882315 137219179 /nfs/dbraw/zinc/21/91/79/137219179.db2.gz KCGOBMJGSORCFG-UHFFFAOYSA-N 0 1 262.273 0.680 20 5 CCBDMN Cc1cccc(C(=O)NCc2nnc[nH]2)c1[N+](=O)[O-] ZINC000037920197 348219066 /nfs/dbraw/zinc/21/90/66/348219066.db2.gz XYRFMNAJYIXJOY-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN CCN1C[C@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1C ZINC000345980416 137262825 /nfs/dbraw/zinc/26/28/25/137262825.db2.gz KRNFKBMPKKLJBG-UWVGGRQHSA-N 0 1 296.331 0.127 20 5 CCBDMN CN1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602905287 362878418 /nfs/dbraw/zinc/87/84/18/362878418.db2.gz QZGAKUXQTFJHSJ-GFCCVEGCSA-N 0 1 295.339 0.582 20 5 CCBDMN O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CNCCO1 ZINC000052943186 348517995 /nfs/dbraw/zinc/51/79/95/348517995.db2.gz XSGGUTBNRXQAIB-LLVKDONJSA-N 0 1 265.269 0.199 20 5 CCBDMN CN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000062351323 348667624 /nfs/dbraw/zinc/66/76/24/348667624.db2.gz UZOKYPHFGUSOTF-CYBMUJFWSA-N 0 1 265.313 0.876 20 5 CCBDMN CCOCCN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000089373306 349382872 /nfs/dbraw/zinc/38/28/72/349382872.db2.gz ZWZPFOBTZHVWCB-UHFFFAOYSA-N 0 1 256.262 0.735 20 5 CCBDMN CC(C)OC(=O)[C@@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000121831634 350058293 /nfs/dbraw/zinc/05/82/93/350058293.db2.gz HLJSQAZMXAYYJU-ZETCQYMHSA-N 0 1 284.272 0.635 20 5 CCBDMN CCOC(=O)C[C@@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000134358376 350361674 /nfs/dbraw/zinc/36/16/74/350361674.db2.gz BHUJJLNGKZBLGG-SSDOTTSWSA-N 0 1 284.272 0.637 20 5 CCBDMN CN(C)C1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000134992582 350381947 /nfs/dbraw/zinc/38/19/47/350381947.db2.gz JGDQWFMXFDRBKG-UHFFFAOYSA-N 0 1 289.295 0.857 20 5 CCBDMN COC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000159675766 350684938 /nfs/dbraw/zinc/68/49/38/350684938.db2.gz LVGCSDNTEKTUKW-SECBINFHSA-N 0 1 253.258 0.815 20 5 CCBDMN Cc1nn(C)c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1[N+](=O)[O-] ZINC000160003977 350693418 /nfs/dbraw/zinc/69/34/18/350693418.db2.gz WFKSCOPTUBMYII-AOOOYVTPSA-N 0 1 293.327 0.603 20 5 CCBDMN CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)N(C)C ZINC000176214977 351161440 /nfs/dbraw/zinc/16/14/40/351161440.db2.gz STBFCXDNWRYOED-UHFFFAOYSA-N 0 1 283.332 0.592 20 5 CCBDMN CCCN(CCn1ccc([N+](=O)[O-])n1)CC(=O)N(C)C ZINC000176214977 351161441 /nfs/dbraw/zinc/16/14/41/351161441.db2.gz STBFCXDNWRYOED-UHFFFAOYSA-N 0 1 283.332 0.592 20 5 CCBDMN Cc1nn(C)c(N[C@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC000226500026 352028680 /nfs/dbraw/zinc/02/86/80/352028680.db2.gz PNAKFBYYHUOBJR-ZCFIWIBFSA-N 0 1 251.250 0.928 20 5 CCBDMN Cc1cccc(C(=O)NC[C@@H]2COCCN2)c1[N+](=O)[O-] ZINC000235924845 352190571 /nfs/dbraw/zinc/19/05/71/352190571.db2.gz QALNSTRXIQDUIC-SNVBAGLBSA-N 0 1 279.296 0.621 20 5 CCBDMN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000249231537 352482405 /nfs/dbraw/zinc/48/24/05/352482405.db2.gz VPBWMDYJNSOOSP-OOZYFLPDSA-N 0 1 266.257 0.615 20 5 CCBDMN CCCN(CCO)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000270413311 352931099 /nfs/dbraw/zinc/93/10/99/352931099.db2.gz CQNDZYBIVAIXAQ-UHFFFAOYSA-N 0 1 256.262 0.471 20 5 CCBDMN NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270797958 352987364 /nfs/dbraw/zinc/98/73/64/352987364.db2.gz NCVCBBCWXHFMDL-BQBZGAKWSA-N 0 1 281.272 0.092 20 5 CCBDMN Cc1ccc([C@H](O)CNC(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC000270840735 352994300 /nfs/dbraw/zinc/99/43/00/352994300.db2.gz VEOOCUJVCZJXCX-MRVPVSSYSA-N 0 1 280.240 0.683 20 5 CCBDMN CNC(=O)C1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000274359447 353123194 /nfs/dbraw/zinc/12/31/94/353123194.db2.gz KODXGWIUUVLHIH-UHFFFAOYSA-N 0 1 295.299 0.259 20 5 CCBDMN C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1 ZINC000155114701 188183990 /nfs/dbraw/zinc/18/39/90/188183990.db2.gz VNNUJHLZJDHNKY-SECBINFHSA-N 0 1 267.289 0.002 20 5 CCBDMN COCC[N@H+](C)CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277807988 353267155 /nfs/dbraw/zinc/26/71/55/353267155.db2.gz XAKQUCSWZRIXTJ-UHFFFAOYSA-N 0 1 298.299 0.003 20 5 CCBDMN COCC[N@@H+](C)CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277807988 353267158 /nfs/dbraw/zinc/26/71/58/353267158.db2.gz XAKQUCSWZRIXTJ-UHFFFAOYSA-N 0 1 298.299 0.003 20 5 CCBDMN O=C(NCC[N@H+]1CC=CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000280197525 353346582 /nfs/dbraw/zinc/34/65/82/353346582.db2.gz JOGATIXNDUUYOT-UHFFFAOYSA-N 0 1 292.295 0.687 20 5 CCBDMN O=C(NCC[N@@H+]1CC=CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000280197525 353346585 /nfs/dbraw/zinc/34/65/85/353346585.db2.gz JOGATIXNDUUYOT-UHFFFAOYSA-N 0 1 292.295 0.687 20 5 CCBDMN COC[C@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000292697637 198380251 /nfs/dbraw/zinc/38/02/51/198380251.db2.gz XFVBVQXSKRRZGJ-ZETCQYMHSA-N 0 1 294.267 0.208 20 5 CCBDMN [NH3+]CC(F)(F)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000286169055 353566412 /nfs/dbraw/zinc/56/64/12/353566412.db2.gz QTZDQZNXXNNVLA-UHFFFAOYSA-N 0 1 275.211 0.624 20 5 CCBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1COC[C@H]1O ZINC000287310320 353638276 /nfs/dbraw/zinc/63/82/76/353638276.db2.gz NGPONRNMHNTDPS-GHMZBOCLSA-N 0 1 282.252 0.132 20 5 CCBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H](C)N1C ZINC000292691178 353784557 /nfs/dbraw/zinc/78/45/57/353784557.db2.gz FLEGZBFGGJOUIK-DTORHVGOSA-N 0 1 293.327 0.618 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000294085204 353866831 /nfs/dbraw/zinc/86/68/31/353866831.db2.gz XBTBDEROZCVRFK-AOOOYVTPSA-N 0 1 295.343 0.651 20 5 CCBDMN COC(=O)[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)OC ZINC000294163634 353875330 /nfs/dbraw/zinc/87/53/30/353875330.db2.gz VSYMCQFFKNUVQE-JTQLQIEISA-N 0 1 298.251 0.218 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@H](C)N1C ZINC000295654639 353910395 /nfs/dbraw/zinc/91/03/95/353910395.db2.gz RXZGDBMIDUCWAE-DTORHVGOSA-N 0 1 294.311 0.860 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000299455757 354017193 /nfs/dbraw/zinc/01/71/93/354017193.db2.gz QAIACSUHJFBMOW-UHFFFAOYSA-N 0 1 278.272 0.529 20 5 CCBDMN CC(C)[C@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000305754585 354160154 /nfs/dbraw/zinc/16/01/54/354160154.db2.gz WJTXJMIOOAEHBW-SNVBAGLBSA-N 0 1 256.262 0.455 20 5 CCBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000330458392 354366701 /nfs/dbraw/zinc/36/67/01/354366701.db2.gz PGLVKIBUGQXCFU-SKDRFNHKSA-N 0 1 282.296 0.882 20 5 CCBDMN Cc1cn(C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)nc1[N+](=O)[O-] ZINC000331127119 354458822 /nfs/dbraw/zinc/45/88/22/354458822.db2.gz OALFXIHPVFAVJV-TUAOUCFPSA-N 0 1 298.343 0.570 20 5 CCBDMN COC[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000332623899 354706604 /nfs/dbraw/zinc/70/66/04/354706604.db2.gz GVWJLPMUQZNMPW-MRVPVSSYSA-N 0 1 268.273 0.735 20 5 CCBDMN O=C(NCC[C@@H](O)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000337031793 355252196 /nfs/dbraw/zinc/25/21/96/355252196.db2.gz GJMIMHUGUIZPAU-RXMQYKEDSA-N 0 1 282.178 0.361 20 5 CCBDMN COCC[N@H+]1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000341119393 355610087 /nfs/dbraw/zinc/61/00/87/355610087.db2.gz BXNTXEHFVOFWGW-SNVBAGLBSA-N 0 1 266.301 0.544 20 5 CCBDMN COCCN1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000341119393 355610094 /nfs/dbraw/zinc/61/00/94/355610094.db2.gz BXNTXEHFVOFWGW-SNVBAGLBSA-N 0 1 266.301 0.544 20 5 CCBDMN CN1CC[C@@H]2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])[C@H]2C1 ZINC000558754078 291072047 /nfs/dbraw/zinc/07/20/47/291072047.db2.gz KLGVGLBJPGBNPV-SCZZXKLOSA-N 0 1 279.300 0.484 20 5 CCBDMN Cc1nnc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000354119236 356349006 /nfs/dbraw/zinc/34/90/06/356349006.db2.gz ROMJYJLZPGPGSZ-SCSAIBSYSA-N 0 1 282.285 0.969 20 5 CCBDMN Cc1nnc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000354119235 356349092 /nfs/dbraw/zinc/34/90/92/356349092.db2.gz ROMJYJLZPGPGSZ-BYPYZUCNSA-N 0 1 282.285 0.969 20 5 CCBDMN CNC(=O)[C@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000354586101 356445081 /nfs/dbraw/zinc/44/50/81/356445081.db2.gz ZTWLYHKRFBOWMR-MRVPVSSYSA-N 0 1 295.299 0.367 20 5 CCBDMN CN(Cc1nnc[nH]1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354746690 356488483 /nfs/dbraw/zinc/48/84/83/356488483.db2.gz WHLBVJIPAKVSKM-UHFFFAOYSA-N 0 1 276.256 0.567 20 5 CCBDMN Cc1[nH]nc(C(=O)N(CC(N)=O)C2CCCC2)c1[N+](=O)[O-] ZINC000609159886 363476884 /nfs/dbraw/zinc/47/68/84/363476884.db2.gz ZSEQSFBMJPFPER-UHFFFAOYSA-N 0 1 295.299 0.496 20 5 CCBDMN CC[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN1C[C@H](C)O ZINC000609257396 363480922 /nfs/dbraw/zinc/48/09/22/363480922.db2.gz MMUFTARXNHLNBR-WDEREUQCSA-N 0 1 297.359 0.610 20 5 CCBDMN C[NH+](C)CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000356288494 356741532 /nfs/dbraw/zinc/74/15/32/356741532.db2.gz KTMGQQIZUJJEBS-UHFFFAOYSA-N 0 1 294.311 0.862 20 5 CCBDMN CCNC(=O)CN(CC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356368194 356754185 /nfs/dbraw/zinc/75/41/85/356754185.db2.gz UNAROHWXPRVTKV-UHFFFAOYSA-N 0 1 295.295 0.899 20 5 CCBDMN COCc1nc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cs1 ZINC000359289027 356795233 /nfs/dbraw/zinc/79/52/33/356795233.db2.gz YVNGEUWPLZJVLN-UHFFFAOYSA-N 0 1 297.296 0.851 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1c1ccco1 ZINC000370904557 357358495 /nfs/dbraw/zinc/35/84/95/357358495.db2.gz KEHMVNCGBPDNJU-BBBLOLIVSA-N 0 1 266.253 0.845 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000375435360 357407593 /nfs/dbraw/zinc/40/75/93/357407593.db2.gz HKNXGFDNOCHUOS-MWLCHTKSSA-N 0 1 266.301 0.985 20 5 CCBDMN CS(=O)(=O)N1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000400149968 357786352 /nfs/dbraw/zinc/78/63/52/357786352.db2.gz AZESKOFVLPERRC-LLVKDONJSA-N 0 1 299.352 0.718 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN2CCC1CC2 ZINC000408162776 357948430 /nfs/dbraw/zinc/94/84/30/357948430.db2.gz ZHJZIDBFHSHORR-UHFFFAOYSA-N 0 1 279.300 0.249 20 5 CCBDMN O=C(N[C@@H]1CCCN(CCCO)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000452790971 236261552 /nfs/dbraw/zinc/26/15/52/236261552.db2.gz CQPWKTGHTKZQJT-SNVBAGLBSA-N 0 1 296.327 0.500 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000562436380 291151286 /nfs/dbraw/zinc/15/12/86/291151286.db2.gz UYYGELDBHWFANV-UHFFFAOYSA-N 0 1 290.283 0.861 20 5 CCBDMN CCNC(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496715864 240350313 /nfs/dbraw/zinc/35/03/13/240350313.db2.gz XWMGCJDGRPJEPR-GMTAPVOTSA-N 0 1 299.327 0.779 20 5 CCBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCc2nc[nH]c2C1 ZINC000590379292 359446560 /nfs/dbraw/zinc/44/65/60/359446560.db2.gz OWJHCEHMLFOYRA-UHFFFAOYSA-N 0 1 262.229 0.240 20 5 CCBDMN C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000590446509 359469865 /nfs/dbraw/zinc/46/98/65/359469865.db2.gz UDSZXZUMYVPTGO-KWQFWETISA-N 0 1 292.295 0.472 20 5 CCBDMN C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000590446509 359469871 /nfs/dbraw/zinc/46/98/71/359469871.db2.gz UDSZXZUMYVPTGO-KWQFWETISA-N 0 1 292.295 0.472 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000590546378 359482914 /nfs/dbraw/zinc/48/29/14/359482914.db2.gz DZBYUAHCTONZKG-UHFFFAOYSA-N 0 1 279.212 0.351 20 5 CCBDMN CC(C)(CO)ONC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000297129842 200092278 /nfs/dbraw/zinc/09/22/78/200092278.db2.gz HOEMFCKALPILLF-UHFFFAOYSA-N 0 1 270.241 0.733 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN(C)C1 ZINC000611235261 363689995 /nfs/dbraw/zinc/68/99/95/363689995.db2.gz PVKSUIROEPFEMC-MRVPVSSYSA-N 0 1 267.289 0.152 20 5 CCBDMN O=C(N[C@H](CO)CC1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000611296027 363703668 /nfs/dbraw/zinc/70/36/68/363703668.db2.gz MRJDLEKUZCHQQE-ZETCQYMHSA-N 0 1 254.246 0.209 20 5 CCBDMN O=C([O-])CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000593743614 360145195 /nfs/dbraw/zinc/14/51/95/360145195.db2.gz FWRJYWPZRPHCHL-UHFFFAOYSA-N 0 1 282.300 0.978 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)CCO)c1[N+](=O)[O-] ZINC000593881601 360193302 /nfs/dbraw/zinc/19/33/02/360193302.db2.gz WCULZKAXOFWTIJ-ZETCQYMHSA-N 0 1 270.289 0.723 20 5 CCBDMN NC(=O)[C@@]1(NCCOc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000594035392 360239986 /nfs/dbraw/zinc/23/99/86/360239986.db2.gz LJDDTWUSZRHMQQ-CYBMUJFWSA-N 0 1 295.295 0.208 20 5 CCBDMN COCC[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594754033 360376959 /nfs/dbraw/zinc/37/69/59/360376959.db2.gz YAQLWJOVSGGGLY-QMMMGPOBSA-N 0 1 289.313 0.693 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])cn1)Cc1n[nH]c(=O)o1 ZINC000595547453 360575954 /nfs/dbraw/zinc/57/59/54/360575954.db2.gz PECNRQIQCWHIMV-UHFFFAOYSA-N 0 1 268.233 0.012 20 5 CCBDMN COCc1nc(CNc2ncccc2[N+](=O)[O-])n[nH]1 ZINC000596437318 360896068 /nfs/dbraw/zinc/89/60/68/360896068.db2.gz WKXTYEPRIXYYSH-UHFFFAOYSA-N 0 1 264.245 0.866 20 5 CCBDMN COCc1nnc(CNc2ncccc2[N+](=O)[O-])[nH]1 ZINC000596437318 360896070 /nfs/dbraw/zinc/89/60/70/360896070.db2.gz WKXTYEPRIXYYSH-UHFFFAOYSA-N 0 1 264.245 0.866 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC3(CN(C)C3)C2)n1 ZINC000597570715 361141524 /nfs/dbraw/zinc/14/15/24/361141524.db2.gz AXOILZRPQVSNDN-UHFFFAOYSA-N 0 1 293.327 0.589 20 5 CCBDMN O=c1nc(CCCNc2ccc([N+](=O)[O-])cn2)[nH][nH]1 ZINC000301423101 201003649 /nfs/dbraw/zinc/00/36/49/201003649.db2.gz GEBVIJNEKMMCTA-UHFFFAOYSA-N 0 1 264.245 0.446 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000598163344 361346913 /nfs/dbraw/zinc/34/69/13/361346913.db2.gz NNFMMZDZQFVKCC-UHFFFAOYSA-N 0 1 278.312 0.811 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000598163910 361346932 /nfs/dbraw/zinc/34/69/32/361346932.db2.gz RACCAEHKKMIRJL-UHFFFAOYSA-N 0 1 295.343 0.546 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)Cc2cn(C)nn2)c1[N+](=O)[O-] ZINC000598227650 361358905 /nfs/dbraw/zinc/35/89/05/361358905.db2.gz VYPPQWIKJOZSAI-UHFFFAOYSA-N 0 1 293.287 0.281 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H]3COC[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000598233391 361360161 /nfs/dbraw/zinc/36/01/61/361360161.db2.gz VNGNAPCWYYSYMQ-QPUJVOFHSA-N 0 1 280.284 0.735 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CC[C@@H](O)C1 ZINC000599176814 361599516 /nfs/dbraw/zinc/59/95/16/361599516.db2.gz ZLFCLRQFCRSVEH-SNVBAGLBSA-N 0 1 283.332 0.598 20 5 CCBDMN C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)c1nnc[nH]1 ZINC000301909566 201256929 /nfs/dbraw/zinc/25/69/29/201256929.db2.gz BEHHEELIGZKPBA-RXMQYKEDSA-N 0 1 277.244 0.380 20 5 CCBDMN C[NH+](C)C1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC1 ZINC000276079802 193207403 /nfs/dbraw/zinc/20/74/03/193207403.db2.gz WXOKDRYIQVMEBA-UHFFFAOYSA-N 0 1 294.311 0.910 20 5 CCBDMN Cc1ccc(CN2C[C@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000459692653 249054475 /nfs/dbraw/zinc/05/44/75/249054475.db2.gz FFZAYKYFVOPDEE-AAEUAGOBSA-N 0 1 266.297 0.688 20 5 CCBDMN C[C@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(=O)O1 ZINC000298550660 389030077 /nfs/dbraw/zinc/03/00/77/389030077.db2.gz XTKAIWAICHIJEH-QUBYGPBYSA-N 0 1 280.236 0.734 20 5 CCBDMN Cc1[nH]nc(C(=O)N(CC(N)=O)CC(C)C)c1[N+](=O)[O-] ZINC000264302496 389319746 /nfs/dbraw/zinc/31/97/46/389319746.db2.gz SGZBMNYTEVKDQM-UHFFFAOYSA-N 0 1 283.288 0.210 20 5 CCBDMN COCCN1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000264554021 389335955 /nfs/dbraw/zinc/33/59/55/389335955.db2.gz DFNUKDXTWLKZIV-QMMMGPOBSA-N 0 1 282.304 0.100 20 5 CCBDMN Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000345310815 389301989 /nfs/dbraw/zinc/30/19/89/389301989.db2.gz CRIIXHZSQCCOPY-DTWKUNHWSA-N 0 1 281.316 0.839 20 5 CCBDMN COC(=O)[C@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264115771 389307896 /nfs/dbraw/zinc/30/78/96/389307896.db2.gz BXUMAZYGFDWLBB-MRVPVSSYSA-N 0 1 296.283 0.794 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCO1 ZINC000159761005 389373170 /nfs/dbraw/zinc/37/31/70/389373170.db2.gz XPZBUABBPJKISN-GFCCVEGCSA-N 0 1 281.312 0.867 20 5 CCBDMN CO[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1OC ZINC000276862226 389547136 /nfs/dbraw/zinc/54/71/36/389547136.db2.gz KMISTMOBZVGLHU-TXEJJXNPSA-N 0 1 297.311 0.102 20 5 CCBDMN C[C@@H](O)CN1CCN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000277878763 389557534 /nfs/dbraw/zinc/55/75/34/389557534.db2.gz VUZMJORATGHSSP-VHSXEESVSA-N 0 1 283.332 0.220 20 5 CCBDMN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000375158837 389643370 /nfs/dbraw/zinc/64/33/70/389643370.db2.gz KDTOBRVEZQPBLB-DBIOUOCHSA-N 0 1 254.286 0.725 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](c2ccco2)C1 ZINC000374528763 389586068 /nfs/dbraw/zinc/58/60/68/389586068.db2.gz DPLVHFMQCKQBTD-FXPVBKGRSA-N 0 1 266.253 0.845 20 5 CCBDMN Cc1nc(CN2CCc3ncc([N+](=O)[O-])cc3C2)n[nH]1 ZINC000428353825 389693367 /nfs/dbraw/zinc/69/33/67/389693367.db2.gz WLHGVEJCWWEQKO-UHFFFAOYSA-N 0 1 274.284 0.975 20 5 CCBDMN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1c[nH]nn1 ZINC000352160036 389762852 /nfs/dbraw/zinc/76/28/52/389762852.db2.gz FSDMGQSBWBASSF-UHFFFAOYSA-N 0 1 273.208 0.509 20 5 CCBDMN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420440199 390004207 /nfs/dbraw/zinc/00/42/07/390004207.db2.gz NHFXFKACBYLZRS-PHDIDXHHSA-N 0 1 279.343 0.670 20 5 CCBDMN C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000578768391 390901635 /nfs/dbraw/zinc/90/16/35/390901635.db2.gz XZZJCVYKLQOFGH-YUMQZZPRSA-N 0 1 280.284 0.505 20 5 CCBDMN CC(=O)N1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269160641 132122422 /nfs/dbraw/zinc/12/24/22/132122422.db2.gz XQEPGCNZCJCQCE-UHFFFAOYSA-N 0 1 293.279 0.605 20 5 CCBDMN O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000357960153 144137044 /nfs/dbraw/zinc/13/70/44/144137044.db2.gz PPDHAPYBNZZOEM-ZETCQYMHSA-N 0 1 275.268 0.933 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCc2c1cnn2C ZINC000372126931 144354721 /nfs/dbraw/zinc/35/47/21/144354721.db2.gz UERMFJPCTZKYHP-UBHAPETDSA-N 0 1 278.312 0.921 20 5 CCBDMN CN1CCO[C@@H]2CN(c3ccncc3[N+](=O)[O-])C[C@@H]21 ZINC000357618798 277125009 /nfs/dbraw/zinc/12/50/09/277125009.db2.gz OZNDCQOOYIYTAT-NWDGAFQWSA-N 0 1 264.285 0.509 20 5 CCBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366548744 280372355 /nfs/dbraw/zinc/37/23/55/280372355.db2.gz UELKZTKMJGQLBI-UZWSLXQKSA-N 0 1 284.312 0.448 20 5 CCBDMN C[C@H]1C(=O)NCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330605799 290311464 /nfs/dbraw/zinc/31/14/64/290311464.db2.gz KCHZQPKPFINZCJ-QMMMGPOBSA-N 0 1 265.269 0.621 20 5 CCBDMN Cc1c(CNC(=O)N=c2ncn(C)[nH]2)cccc1[N+](=O)[O-] ZINC000455582430 533855841 /nfs/dbraw/zinc/85/58/41/533855841.db2.gz FQGJBWZCKZFUCP-UHFFFAOYSA-N 0 1 290.283 0.775 20 5 CCBDMN C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1 ZINC000415427936 534297558 /nfs/dbraw/zinc/29/75/58/534297558.db2.gz GVJSYEVIALUFMP-SECBINFHSA-N 0 1 292.295 0.354 20 5 CCBDMN CCC(=O)N[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000358269289 528420381 /nfs/dbraw/zinc/42/03/81/528420381.db2.gz URWIGRXDAQVPRW-NSHDSACASA-N 0 1 295.343 0.782 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC000373255542 536001075 /nfs/dbraw/zinc/00/10/75/536001075.db2.gz LNKOZMTUQJKFKH-ZDUSSCGKSA-N 0 1 294.311 0.867 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@]23CCOC3=O)c1[N+](=O)[O-] ZINC000779252374 581178572 /nfs/dbraw/zinc/17/85/72/581178572.db2.gz ICSQVBIDXBQXKI-LBPRGKRZSA-N 0 1 294.267 0.548 20 5 CCBDMN Cc1nc(COC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000780435409 581228606 /nfs/dbraw/zinc/22/86/06/581228606.db2.gz XLGDNBPWKWAHQJ-UHFFFAOYSA-N 0 1 266.217 0.112 20 5 CCBDMN COCCOCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000726335259 581237699 /nfs/dbraw/zinc/23/76/99/581237699.db2.gz WGLABSDHYZSJLU-UHFFFAOYSA-N 0 1 258.230 0.743 20 5 CCBDMN C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000783916241 581367126 /nfs/dbraw/zinc/36/71/26/581367126.db2.gz IWDZOPOKTBGADL-SECBINFHSA-N 0 1 294.311 0.910 20 5 CCBDMN C[C@@H]1CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000783916241 581367129 /nfs/dbraw/zinc/36/71/29/581367129.db2.gz IWDZOPOKTBGADL-SECBINFHSA-N 0 1 294.311 0.910 20 5 CCBDMN O=C([O-])NC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000740624082 581518933 /nfs/dbraw/zinc/51/89/33/581518933.db2.gz PZIHGKCKXWVSOQ-SNVBAGLBSA-N 0 1 297.315 0.913 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)OCCc1c[nH]nn1 ZINC000735035971 581610158 /nfs/dbraw/zinc/61/01/58/581610158.db2.gz JGXGJSMODBENFO-UHFFFAOYSA-N 0 1 265.229 0.451 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)OCCc1cnn[nH]1 ZINC000735035971 581610159 /nfs/dbraw/zinc/61/01/59/581610159.db2.gz JGXGJSMODBENFO-UHFFFAOYSA-N 0 1 265.229 0.451 20 5 CCBDMN CCc1cc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)n[nH]1 ZINC000758150495 581723837 /nfs/dbraw/zinc/72/38/37/581723837.db2.gz FLCIIRXECNOIRM-UHFFFAOYSA-N 0 1 290.283 0.788 20 5 CCBDMN O=Cc1ccc([N+](=O)[O-])c(OS(=O)(=O)c2c[nH]cn2)c1 ZINC000736631187 581807290 /nfs/dbraw/zinc/80/72/90/581807290.db2.gz HHOCTULNTHAZBD-UHFFFAOYSA-N 0 1 297.248 0.898 20 5 CCBDMN Cn1cc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)nn1 ZINC000759567319 581808158 /nfs/dbraw/zinc/80/81/58/581808158.db2.gz NGFWEWNHIZMZRF-UHFFFAOYSA-N 0 1 251.202 0.408 20 5 CCBDMN CC(=O)CCN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000768341605 581915869 /nfs/dbraw/zinc/91/58/69/581915869.db2.gz AAHZUOMOPUXMSM-UHFFFAOYSA-N 0 1 254.246 0.677 20 5 CCBDMN O=C(NOCc1cccnc1)c1n[nH]cc1[N+](=O)[O-] ZINC000764999853 582081891 /nfs/dbraw/zinc/08/18/91/582081891.db2.gz UATOFPSCUVCYCK-UHFFFAOYSA-N 0 1 263.213 0.575 20 5 CCBDMN O=C([O-])N1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000832015364 603995447 /nfs/dbraw/zinc/99/54/47/603995447.db2.gz NEGGZIYMPPSMLG-UHFFFAOYSA-N 0 1 283.288 0.477 20 5 CCBDMN O=C([O-])N1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000832015364 603995450 /nfs/dbraw/zinc/99/54/50/603995450.db2.gz NEGGZIYMPPSMLG-UHFFFAOYSA-N 0 1 283.288 0.477 20 5 CCBDMN C[N@H+](CC(=O)[O-])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351335 604643710 /nfs/dbraw/zinc/64/37/10/604643710.db2.gz GLKPBDGFZLUJNS-SNVBAGLBSA-N 0 1 254.242 0.645 20 5 CCBDMN COc1ccc(OC)c([C@H](O)[C@@H](C)NCC[N+](=O)[O-])c1 ZINC000905416149 617275996 /nfs/dbraw/zinc/27/59/96/617275996.db2.gz ZMBVAEXHICMTRK-NOZJJQNGSA-N 0 1 284.312 0.992 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](CO)[C@H](CO)C1 ZINC000879693203 617282436 /nfs/dbraw/zinc/28/24/36/617282436.db2.gz JRFRKUYHZVBONH-TXEJJXNPSA-N 0 1 296.323 0.636 20 5 CCBDMN COc1ccccc1[C@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839526196 617319616 /nfs/dbraw/zinc/31/96/16/617319616.db2.gz BEUIPWOQTOTRRX-GMTAPVOTSA-N 0 1 280.280 0.510 20 5 CCBDMN CC(=O)NCCN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000830148337 613736032 /nfs/dbraw/zinc/73/60/32/613736032.db2.gz RMRRITCNNBCBIM-ZDUSSCGKSA-N 0 1 281.312 0.696 20 5 CCBDMN CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840556560 614298254 /nfs/dbraw/zinc/29/82/54/614298254.db2.gz QWSPLTJRMWYWFS-IVZWLZJFSA-N 0 1 269.301 0.167 20 5 CCBDMN CC1(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000978795523 614480553 /nfs/dbraw/zinc/48/05/53/614480553.db2.gz PCMUQDMYNAZABU-LMLFDSFASA-N 0 1 295.339 0.463 20 5 CCBDMN CC1(C)CN(C(=O)[O-])CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000825729065 614592968 /nfs/dbraw/zinc/59/29/68/614592968.db2.gz NCYSDWCYPKSWRU-UHFFFAOYSA-N 0 1 297.315 0.866 20 5 CCBDMN CC1(C)CN(C(=O)[O-])CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000825729065 614592969 /nfs/dbraw/zinc/59/29/69/614592969.db2.gz NCYSDWCYPKSWRU-UHFFFAOYSA-N 0 1 297.315 0.866 20 5 CCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2ccon2)C1 ZINC000950052994 614652269 /nfs/dbraw/zinc/65/22/69/614652269.db2.gz RNOURRPPPYVRMQ-VXGBXAGGSA-N 0 1 294.311 0.373 20 5 CCBDMN CC1(C)CO[C@@H](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000894495540 614726299 /nfs/dbraw/zinc/72/62/99/614726299.db2.gz TXDNFTAEGYRMQA-IVZWLZJFSA-N 0 1 256.302 0.973 20 5 CCBDMN CCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000943572895 614910887 /nfs/dbraw/zinc/91/08/87/614910887.db2.gz UVWAFBFIKVFTGZ-GWOFURMSSA-N 0 1 283.328 0.605 20 5 CCBDMN CCOC(=O)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000840423917 615184902 /nfs/dbraw/zinc/18/49/02/615184902.db2.gz YKEZFCZNUVSLMF-NXEZZACHSA-N 0 1 270.285 0.596 20 5 CCBDMN CCN1CC[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000819297219 615235799 /nfs/dbraw/zinc/23/57/99/615235799.db2.gz BIHYGRUOCQZYBR-OLZOCXBDSA-N 0 1 293.323 0.839 20 5 CCBDMN CCOC[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839684410 615309546 /nfs/dbraw/zinc/30/95/46/615309546.db2.gz NZGDDIKQXGXROC-GMTAPVOTSA-N 0 1 256.302 0.927 20 5 CCBDMN CCON(C)C(=O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000846504455 615334865 /nfs/dbraw/zinc/33/48/65/615334865.db2.gz NQHROGRTYGGIID-UHFFFAOYSA-N 0 1 297.267 0.440 20 5 CCBDMN CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840420415 615346833 /nfs/dbraw/zinc/34/68/33/615346833.db2.gz FPPUXABHCFANKO-BZNPZCIMSA-N 0 1 258.274 0.356 20 5 CCBDMN CCO[C@H]1C[C@](CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000840429892 615497468 /nfs/dbraw/zinc/49/74/68/615497468.db2.gz IADOMBULIYLKAG-ORXSELOVSA-N 0 1 286.328 0.334 20 5 CCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)C(F)F ZINC000839783759 615530170 /nfs/dbraw/zinc/53/01/70/615530170.db2.gz LKBULQZVCOABCQ-GBNDHIKLSA-N 0 1 252.217 0.172 20 5 CCBDMN CCn1cc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000839788796 616013582 /nfs/dbraw/zinc/01/35/82/616013582.db2.gz JIXDNWYHIFYPTJ-FXBDTBDDSA-N 0 1 252.274 0.745 20 5 CCBDMN CN(CC(=O)NCc1cccs1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839680146 616048312 /nfs/dbraw/zinc/04/83/12/616048312.db2.gz FHSGIEQMKLSIMM-NXEZZACHSA-N 0 1 297.336 0.488 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855640861 616163403 /nfs/dbraw/zinc/16/34/03/616163403.db2.gz DXWXNGDJQUZQSY-CYBMUJFWSA-N 0 1 293.323 0.648 20 5 CCBDMN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000874832853 616216206 /nfs/dbraw/zinc/21/62/06/616216206.db2.gz IQJVUSMOCNKAES-IUCAKERBSA-N 0 1 279.300 0.627 20 5 CCBDMN CN1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000931411582 616242326 /nfs/dbraw/zinc/24/23/26/616242326.db2.gz TYRXYJJLYRDNFV-CYBMUJFWSA-N 0 1 295.339 0.582 20 5 CCBDMN C[N@@H+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000931401791 616244647 /nfs/dbraw/zinc/24/46/47/616244647.db2.gz XMGWFTXXRSRMFW-LLVKDONJSA-N 0 1 281.312 0.409 20 5 CCBDMN C[N@H+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000931401791 616244648 /nfs/dbraw/zinc/24/46/48/616244648.db2.gz XMGWFTXXRSRMFW-LLVKDONJSA-N 0 1 281.312 0.409 20 5 CCBDMN CN1C[C@H](O)C[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000924983433 616461099 /nfs/dbraw/zinc/46/10/99/616461099.db2.gz CGEZTNGVDKIAAY-NXEZZACHSA-N 0 1 297.286 0.529 20 5 CCBDMN COC(=O)[C@@]1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839704161 616542321 /nfs/dbraw/zinc/54/23/21/616542321.db2.gz UBQXONFRCDDLHD-XLDPMVHQSA-N 0 1 256.258 0.063 20 5 CCBDMN COC(=O)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839698684 616644935 /nfs/dbraw/zinc/64/49/35/616644935.db2.gz HJDQIRTXCYTXES-IWSPIJDZSA-N 0 1 256.258 0.110 20 5 CCBDMN COC[C@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000840369133 616830335 /nfs/dbraw/zinc/83/03/35/616830335.db2.gz LIJVJFJEJAYMCI-JKMUOGBPSA-N 0 1 270.207 0.735 20 5 CCBDMN COCC[N@H+](CC(=O)[O-])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846264686 616984167 /nfs/dbraw/zinc/98/41/67/616984167.db2.gz OZAHFGCSZBESGH-GFCCVEGCSA-N 0 1 298.295 0.661 20 5 CCBDMN CO[C@H](C)CS(=O)(=O)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000800838131 617076542 /nfs/dbraw/zinc/07/65/42/617076542.db2.gz SZZUQAXRVCCXDD-SSDOTTSWSA-N 0 1 290.301 0.271 20 5 CCBDMN CO[C@H](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000839733247 617082326 /nfs/dbraw/zinc/08/23/26/617082326.db2.gz IWLHBGKKJBOHRI-FSDSQADBSA-N 0 1 270.207 0.735 20 5 CCBDMN C[C@@H]1[C@@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)C(=O)N1C ZINC000892179143 622648456 /nfs/dbraw/zinc/64/84/56/622648456.db2.gz HJFNUJCYFJSKPJ-HOTMZDKISA-N 0 1 269.301 0.118 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=O)CC12CCC2 ZINC000891820780 624937181 /nfs/dbraw/zinc/93/71/81/624937181.db2.gz HUAJSVCLLFGHSS-NXEZZACHSA-N 0 1 252.270 0.766 20 5 CCBDMN O=C(OCc1cn(-c2ccccc2)nn1)[C@@H]1CC1[N+](=O)[O-] ZINC000840670147 631639055 /nfs/dbraw/zinc/63/90/55/631639055.db2.gz BNKBGOPVXMRBCP-VXGBXAGGSA-N 0 1 288.263 0.976 20 5 CCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC000840672424 631688133 /nfs/dbraw/zinc/68/81/33/631688133.db2.gz QBHRLVSJQXWJRI-SZEHBUNVSA-N 0 1 298.320 0.961 20 5 CCBDMN O=C1N(CCNCC[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000905379344 634858237 /nfs/dbraw/zinc/85/82/37/634858237.db2.gz CYSBIFSNKLPFDY-JTQLQIEISA-N 0 1 256.306 0.143 20 5 CCBDMN Cc1nn(C)c(C(=O)N2CC[C@H](N3CCC3)C2)c1[N+](=O)[O-] ZINC000912918551 636702620 /nfs/dbraw/zinc/70/26/20/636702620.db2.gz FROWBKKYUCMUAP-JTQLQIEISA-N 0 1 293.327 0.557 20 5 CCBDMN O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)C3CC3)CC2)cn1 ZINC000735487300 638836968 /nfs/dbraw/zinc/83/69/68/638836968.db2.gz HXLRWSMYMAPELT-ZDUSSCGKSA-N 0 1 292.339 0.883 20 5 CCBDMN O=C(CC1CC1)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946703403 639845509 /nfs/dbraw/zinc/84/55/09/639845509.db2.gz YEONBILEFDFXPE-VXGBXAGGSA-N 0 1 295.339 0.559 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000839624739 640347343 /nfs/dbraw/zinc/34/73/43/640347343.db2.gz FGQWEGZWIMFSQB-UKKRHICBSA-N 0 1 283.328 0.557 20 5 CCBDMN O=C(NC[C@H](CO)Cc1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839691470 640350297 /nfs/dbraw/zinc/35/02/97/640350297.db2.gz NKSZQVMGFRVQOI-RAIGVLPGSA-N 0 1 296.298 0.758 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCS[C@@H]2COCC[C@@H]21 ZINC000839708561 640356999 /nfs/dbraw/zinc/35/69/99/640356999.db2.gz XYMNOHNIZFBTKH-UTINFBMNSA-N 0 1 272.326 0.385 20 5 CCBDMN O=C(N[C@H](CO)C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839723852 640358088 /nfs/dbraw/zinc/35/80/88/640358088.db2.gz KNXBPTSXGRPOMQ-GMTAPVOTSA-N 0 1 256.302 0.709 20 5 CCBDMN C[Si](C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839726058 640358099 /nfs/dbraw/zinc/35/80/99/640358099.db2.gz RXPBISPDUDXTKN-VXGBXAGGSA-N 0 1 278.384 0.923 20 5 CCBDMN O=C(NCC1(CO)CC2(CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839746999 640361383 /nfs/dbraw/zinc/36/13/83/640361383.db2.gz OUMANUCAXFCSQC-NXEZZACHSA-N 0 1 268.313 0.711 20 5 CCBDMN O=C(Nc1ccc(-n2ccnn2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840312028 641056019 /nfs/dbraw/zinc/05/60/19/641056019.db2.gz HLNPDTZKOCTXBJ-GHMZBOCLSA-N 0 1 273.252 0.871 20 5 CCBDMN O=C(OCc1cnn2c1CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000822244964 641652214 /nfs/dbraw/zinc/65/22/14/641652214.db2.gz LCZDFWSDCLMMHM-PSASIEDQSA-N 0 1 251.242 0.538 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NC12CCN(CC1)C2 ZINC000828010514 642059479 /nfs/dbraw/zinc/05/94/79/642059479.db2.gz WLDGLWSABGEGAO-UHFFFAOYSA-N 0 1 279.300 0.064 20 5 CCBDMN O=C(OCCn1ccccc1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840669879 642785228 /nfs/dbraw/zinc/78/52/28/642785228.db2.gz MLDXPBWNBLUUFQ-RKDXNWHRSA-N 0 1 252.226 0.057 20 5 CCBDMN Cn1cc([C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)cn1 ZINC000848142190 643609095 /nfs/dbraw/zinc/60/90/95/643609095.db2.gz LGZXJTQCPHXNSB-IRCOFANPSA-N 0 1 294.311 0.422 20 5 CCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000856488460 644422780 /nfs/dbraw/zinc/42/27/80/644422780.db2.gz YCVCITKZVWJROT-RFOGZPIASA-N 0 1 278.255 0.923 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CC[C@H](O)C2)n1 ZINC000858867715 644655419 /nfs/dbraw/zinc/65/54/19/644655419.db2.gz QNNKLIPQYFZKIV-JTQLQIEISA-N 0 1 266.301 0.777 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(NCCN2CC[C@H](O)C2)n1 ZINC000858867715 644655423 /nfs/dbraw/zinc/65/54/23/644655423.db2.gz QNNKLIPQYFZKIV-JTQLQIEISA-N 0 1 266.301 0.777 20 5 CCBDMN O=C(NCCN1CC[C@@H](O)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000863324421 645082033 /nfs/dbraw/zinc/08/20/33/645082033.db2.gz ZIPLTSLFXIHBKO-SNVBAGLBSA-N 0 1 297.286 0.530 20 5 CCBDMN COc1ncc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000863444721 645095035 /nfs/dbraw/zinc/09/50/35/645095035.db2.gz GQHKLXPNGUJODK-UHFFFAOYSA-N 0 1 292.255 0.089 20 5 CCBDMN Cc1cc(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)on1 ZINC000863714927 645117919 /nfs/dbraw/zinc/11/79/19/645117919.db2.gz YKUNCTSTUSBETN-NXEZZACHSA-N 0 1 295.295 0.770 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000871198087 646120109 /nfs/dbraw/zinc/12/01/09/646120109.db2.gz RCNZOGIBFXXLPW-KQSJRHEJSA-N 0 1 268.313 0.804 20 5 CCBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC=C[C@@H]2CO)c1 ZINC000880482404 647206364 /nfs/dbraw/zinc/20/63/64/647206364.db2.gz HVDAWIASBVFGKZ-CHWSQXEVSA-N 0 1 294.307 0.567 20 5 CCBDMN O=C(NCc1cc2n(n1)CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000880615123 647242867 /nfs/dbraw/zinc/24/28/67/647242867.db2.gz WGSRXSCRYFGQFP-GHMZBOCLSA-N 0 1 264.285 0.501 20 5 CCBDMN NC(=O)C1(c2ccccc2)CCN(CC[N+](=O)[O-])CC1 ZINC000929655456 648777078 /nfs/dbraw/zinc/77/70/78/648777078.db2.gz YPCCVUWZHWNZJR-UHFFFAOYSA-N 0 1 277.324 0.782 20 5 CCBDMN O=[N+]([O-])CC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000930336417 648850962 /nfs/dbraw/zinc/85/09/62/648850962.db2.gz SFGFUEHATLPOHK-GFCCVEGCSA-N 0 1 257.334 0.307 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000301641266 719371874 /nfs/dbraw/zinc/37/18/74/719371874.db2.gz GOKUWDPDTWNGFT-RYUDHWBXSA-N 0 1 278.312 0.817 20 5 CCBDMN CN1CCO[C@@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@H]21 ZINC001164669728 719379690 /nfs/dbraw/zinc/37/96/90/719379690.db2.gz ROKPKQBUMGOUGB-NXEZZACHSA-N 0 1 264.285 0.509 20 5 CCBDMN COc1c(O[C@H](C)C[N+](C)(C)C)nc(C)[n-]c1=O ZINC001230027022 805576395 /nfs/dbraw/zinc/57/63/95/805576395.db2.gz UNYRWJVWRMAIQM-MRVPVSSYSA-O 0 1 256.326 0.973 20 5 CCBDMN COC(=O)c1nc(C)[n-]c(=O)c1O[C@H](C)C[N+](C)(C)C ZINC001234564061 806273938 /nfs/dbraw/zinc/27/39/38/806273938.db2.gz FFCBEGMVLRCPFT-MRVPVSSYSA-O 0 1 284.336 0.751 20 5 CCBDMN O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001122792127 799297392 /nfs/dbraw/zinc/29/73/92/799297392.db2.gz YZZQLIKMLAKRSW-SZEHBUNVSA-N 0 1 268.269 0.206 20 5 CCBDMN O=C(Nc1ccc(CO)c(CO)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001149194272 800236119 /nfs/dbraw/zinc/23/61/19/800236119.db2.gz JDVWLYLXSFZTSK-GHMZBOCLSA-N 0 1 266.253 0.275 20 5 CCBDMN O=C(NCCCc1nnc2n1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001153211636 800610625 /nfs/dbraw/zinc/61/06/25/800610625.db2.gz CHPWYGCNMHLUOT-NXEZZACHSA-N 0 1 293.327 0.328 20 5 CCBDMN Cc1ncc(CN)c(=N)n1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001156830177 801244763 /nfs/dbraw/zinc/24/47/63/801244763.db2.gz BIGJOOLJYOFDSL-UHFFFAOYSA-N 0 1 299.294 0.903 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3CC[C@H]3C2)n1 ZINC001158430881 801646297 /nfs/dbraw/zinc/64/62/97/801646297.db2.gz KTYHFGGXPPTKJV-VIFPVBQESA-N 0 1 292.295 0.671 20 5 CCBDMN COC(=O)c1ccnc(NCC2CN(C)C2)c1[N+](=O)[O-] ZINC001159219413 801776149 /nfs/dbraw/zinc/77/61/49/801776149.db2.gz IHWAJZZVRWHRNU-UHFFFAOYSA-N 0 1 280.284 0.750 20 5 CCBDMN Cc1c(CC[NH3+])c(=O)[n-]n1-c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001159300137 801788622 /nfs/dbraw/zinc/78/86/22/801788622.db2.gz RQRVSXGXUAKBJK-UHFFFAOYSA-N 0 1 293.283 0.238 20 5 CCBDMN CN1CCN(CCCNc2nccnc2[N+](=O)[O-])CC1 ZINC001161700942 802202262 /nfs/dbraw/zinc/20/22/62/802202262.db2.gz WSUZZHUFCDZYRL-UHFFFAOYSA-N 0 1 280.332 0.434 20 5 CCBDMN NCc1nc2cnccc2n1-c1ccc([N+](=O)[O-])c(N)n1 ZINC001162216119 802291783 /nfs/dbraw/zinc/29/17/83/802291783.db2.gz YWZPIJUBGZGAPC-UHFFFAOYSA-N 0 1 285.267 0.765 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])S1 ZINC001163671395 802587966 /nfs/dbraw/zinc/58/79/66/802587966.db2.gz DMSXMMIYIBWMQN-SSDOTTSWSA-N 0 1 288.672 0.786 20 5 CCBDMN Cc1nc(N2CC(N(C)[C@@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165205765 802796503 /nfs/dbraw/zinc/79/65/03/802796503.db2.gz YJQNAFHWGMSRKW-SNVBAGLBSA-N 0 1 293.327 0.603 20 5 CCBDMN COC(=O)[C@H]1CNCCN1c1ncc([N+](=O)[O-])cc1F ZINC001165440236 802843110 /nfs/dbraw/zinc/84/31/10/802843110.db2.gz YEBDTBSGUZSETA-SECBINFHSA-N 0 1 284.247 0.080 20 5 CCBDMN O=[N+]([O-])c1ccc2oc(CNC[C@]3(O)CCOC3)nc2c1 ZINC001205501881 803144627 /nfs/dbraw/zinc/14/46/27/803144627.db2.gz VLVUOHUKWDVLME-CYBMUJFWSA-N 0 1 293.279 0.977 20 5 CCBDMN CC1=C(Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])C(=O)O[C@H]1C ZINC001229383346 814952618 /nfs/dbraw/zinc/95/26/18/814952618.db2.gz ZTCYIXRVRMTZIF-YFKPBYRVSA-N 0 1 281.224 0.997 20 5 CCBDMN O=[N+]([O-])c1c(F)cccc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405244811 803870156 /nfs/dbraw/zinc/87/01/56/803870156.db2.gz ZAUMSVMLWSDVAK-VHSXEESVSA-N 0 1 281.287 0.989 20 5 CCBDMN CN1CCN(CCO[C@@H](C[N+](=O)[O-])C2CC2)CC1 ZINC001224548366 805049639 /nfs/dbraw/zinc/04/96/39/805049639.db2.gz AXFDLRZZIWXSQG-LBPRGKRZSA-N 0 1 257.334 0.306 20 5 CCBDMN C[NH+]1CCC(Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228145124 805419698 /nfs/dbraw/zinc/41/96/98/805419698.db2.gz ZPQYLXKBDYTLMA-UHFFFAOYSA-N 0 1 254.246 0.563 20 5 CCBDMN CO[C@@H]1CCN(CCOc2ncncc2[N+](=O)[O-])C1 ZINC001228653992 805464427 /nfs/dbraw/zinc/46/44/27/805464427.db2.gz DCBMRSHXOBINMQ-SECBINFHSA-N 0 1 268.273 0.484 20 5 CCBDMN COC(=O)[C@H]1C[C@@H](Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001229377010 805526562 /nfs/dbraw/zinc/52/65/62/805526562.db2.gz YTLAZJCEGLAHMY-KNVOCYPGSA-N 0 1 283.240 0.729 20 5 CCBDMN Cc1nc(OC[C@@H]2COCO2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382631 805526830 /nfs/dbraw/zinc/52/68/30/805526830.db2.gz WAXHKWAOERDXNF-LURJTMIESA-N 0 1 257.202 0.151 20 5 CCBDMN COC(=O)[C@@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229375857 805527719 /nfs/dbraw/zinc/52/77/19/805527719.db2.gz ONXGHIANHOAWEL-SCSAIBSYSA-N 0 1 257.202 0.339 20 5 CCBDMN CN1CCC[C@@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229454649 805536102 /nfs/dbraw/zinc/53/61/02/805536102.db2.gz PILIENVHRAGBQL-SECBINFHSA-N 0 1 253.258 0.701 20 5 CCBDMN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1nn[nH]n1 ZINC001168357656 815121869 /nfs/dbraw/zinc/12/18/69/815121869.db2.gz CTIUUFPEMKKCOM-UHFFFAOYSA-N 0 1 287.239 0.866 20 5 CCBDMN CNc1ccc(C(=O)N(C)c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001168359744 815135689 /nfs/dbraw/zinc/13/56/89/815135689.db2.gz UDWRNOAWKIPKDQ-UHFFFAOYSA-N 0 1 277.244 0.426 20 5 CCBDMN CC(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001280386924 810013610 /nfs/dbraw/zinc/01/36/10/810013610.db2.gz VDIUOLCPHYRTFM-NXEZZACHSA-N 0 1 271.317 0.272 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000692212251 812334314 /nfs/dbraw/zinc/33/43/14/812334314.db2.gz NWIBYYBSNWXHDJ-UHFFFAOYSA-N 0 1 279.300 0.206 20 5 CCBDMN Cc1cnc(CN(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001268237911 812403034 /nfs/dbraw/zinc/40/30/34/812403034.db2.gz SHCFORJRJTVNDY-GHMZBOCLSA-N 0 1 296.327 0.538 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(NCCCCN2CCOCC2)n1 ZINC001162163028 818603755 /nfs/dbraw/zinc/60/37/55/818603755.db2.gz TUCRCWFXXOOGTG-UHFFFAOYSA-N 0 1 283.332 0.853 20 5 CCBDMN COc1cccc(-n2nnnc2CN)c1[N+](=O)[O-] ZINC001168920456 836054591 /nfs/dbraw/zinc/05/45/91/836054591.db2.gz RZETWNVOQAOAPW-UHFFFAOYSA-N 0 1 250.218 0.038 20 5 CCBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN3CCOC[C@@H]3C2)C1 ZINC001169013849 836099236 /nfs/dbraw/zinc/09/92/36/836099236.db2.gz WRSAPPXIPFGKMH-AVGNSLFASA-N 0 1 269.345 0.448 20 5 CCBDMN CN(C1COC1)C1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169032946 836108966 /nfs/dbraw/zinc/10/89/66/836108966.db2.gz AATJTGCCZWLGRM-QWRGUYRKSA-N 0 1 269.345 0.447 20 5 CCBDMN COc1ncnc(N2C[C@@H]3CCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157264844 836904693 /nfs/dbraw/zinc/90/46/93/836904693.db2.gz GDYQGPWHZUJGAL-VHSXEESVSA-N 0 1 293.327 0.924 20 5 CCBDMN COc1cnc(NCC2CN(C)C2)cc1[N+](=O)[O-] ZINC001170253238 837286033 /nfs/dbraw/zinc/28/60/33/837286033.db2.gz JHUPGABBMRYPCY-UHFFFAOYSA-N 0 1 252.274 0.972 20 5 CCBDMN CN(C(=O)c1ccc([N+](=O)[O-])s1)c1nn[nH]n1 ZINC001131169221 838012742 /nfs/dbraw/zinc/01/27/42/838012742.db2.gz CDZXYVMMIAGDPK-UHFFFAOYSA-N 0 1 254.231 0.446 20 5 CCBDMN CC[C@](N)(CO)Nc1cc([N+](=O)[O-])cnc1OC ZINC001170866350 839466157 /nfs/dbraw/zinc/46/61/57/839466157.db2.gz WDJKBQZRKIBJSK-SNVBAGLBSA-N 0 1 256.262 0.468 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CC[C@@H](c2nc[nH]n2)C1 ZINC001186757076 844595730 /nfs/dbraw/zinc/59/57/30/844595730.db2.gz JQRCAXUXCFZUCM-SSDOTTSWSA-N 0 1 263.261 0.440 20 5 CCBDMN O=C(N[C@H]1C[C@@H](CO)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001171590431 841734537 /nfs/dbraw/zinc/73/45/37/841734537.db2.gz SCOCPERJHHEVLS-OCAPTIKFSA-N 0 1 290.279 0.972 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](O)c1cnc[nH]1 ZINC001187599378 844738344 /nfs/dbraw/zinc/73/83/44/844738344.db2.gz BELBWFFIIBNZMY-VIFPVBQESA-N 0 1 280.288 0.988 20 5 CCBDMN CN(CCCN(C)C(=O)C1(C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067391884 850609205 /nfs/dbraw/zinc/60/92/05/850609205.db2.gz LFPSBSDBYFGOIH-GHMZBOCLSA-N 0 1 297.355 0.759 20 5 CCBDMN Cc1cc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001042705015 850740551 /nfs/dbraw/zinc/74/05/51/850740551.db2.gz HCKICXJTEPCNIX-VXGBXAGGSA-N 0 1 294.311 0.291 20 5 CCBDMN O=C([O-])C[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001118324270 856261690 /nfs/dbraw/zinc/26/16/90/856261690.db2.gz SEMKNCSCLOKQKZ-SECBINFHSA-N 0 1 268.273 0.730 20 5 CCBDMN CCC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001324617457 912940885 /nfs/dbraw/zinc/94/08/85/912940885.db2.gz WNJUXZQRTKYSOK-ZETCQYMHSA-N 0 1 281.272 0.059 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CNCCO2)n1 ZINC001325897075 913632277 /nfs/dbraw/zinc/63/22/77/913632277.db2.gz RWDZBEJPFCUPTF-ZCFIWIBFSA-N 0 1 280.244 0.039 20 5 CCBDMN CC(C)OCCN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001269787472 893644043 /nfs/dbraw/zinc/64/40/43/893644043.db2.gz MNYBOUVZXGZTFG-VXGBXAGGSA-N 0 1 285.344 0.219 20 5 CCBDMN CC/C(C)=C\C(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001299348276 900870602 /nfs/dbraw/zinc/87/06/02/900870602.db2.gz USVWNUGJCFQTJE-WZFVEOJDSA-N 0 1 295.339 0.677 20 5 CCBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@](C)(O)C(=O)[O-] ZINC001327538690 914600595 /nfs/dbraw/zinc/60/05/95/914600595.db2.gz WCAOTAUJXJQAHY-CYBMUJFWSA-N 0 1 282.296 0.905 20 5 CCBDMN O=C(N[C@H]1C[C@@H](NC(=O)C2(CF)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001284091294 905143727 /nfs/dbraw/zinc/14/37/27/905143727.db2.gz FWONFLBCFPFJGP-UTINFBMNSA-N 0 1 299.302 0.165 20 5 CCBDMN O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001337109190 921188432 /nfs/dbraw/zinc/18/84/32/921188432.db2.gz NPGOSGRRVJJSEN-PRHODGIISA-N 0 1 296.283 0.386 20 5 CCBDMN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1nn[nH]n1 ZINC001292873963 906359291 /nfs/dbraw/zinc/35/92/91/906359291.db2.gz XLAHTQXRGQWXAW-UHFFFAOYSA-N 0 1 280.219 0.106 20 5 CCBDMN O=C(NCc1nc2c(cccc2F)[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC001302983665 908053269 /nfs/dbraw/zinc/05/32/69/908053269.db2.gz AEXVYTWBBPBUBL-HZGVNTEJSA-N 0 1 278.243 0.983 20 5 CCBDMN NS(=O)(=O)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001308127605 908384989 /nfs/dbraw/zinc/38/49/89/908384989.db2.gz GAYRBFMTUWOTJF-NSHDSACASA-N 0 1 299.352 0.705 20 5 CCBDMN Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2CC[N+](=O)[O-])cn1 ZINC001332698751 918389739 /nfs/dbraw/zinc/38/97/39/918389739.db2.gz QRRMACNYMJDUPB-NWDGAFQWSA-N 0 1 268.317 0.585 20 5 CCBDMN Cn1cc([C@H](O)C[C@@H]2CCCN2CC[N+](=O)[O-])cn1 ZINC001332698751 918389759 /nfs/dbraw/zinc/38/97/59/918389759.db2.gz QRRMACNYMJDUPB-NWDGAFQWSA-N 0 1 268.317 0.585 20 5 CCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnns1 ZINC001492950521 919202012 /nfs/dbraw/zinc/20/20/12/919202012.db2.gz UIPKDKJLKDHJBP-NXEZZACHSA-N 0 1 299.356 0.141 20 5 CCBDMN C[C@@H](CNC(=O)[C@@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001341319282 922422282 /nfs/dbraw/zinc/42/22/82/922422282.db2.gz VDRCXRRWIISNLR-GWCFXTLKSA-N 0 1 293.323 0.803 20 5 CCBDMN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001342029226 922771395 /nfs/dbraw/zinc/77/13/95/922771395.db2.gz OTVTWXDMRRORQC-ZETCQYMHSA-N 0 1 293.283 0.059 20 5 CCBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCNC(=O)C1 ZINC001345987028 924034409 /nfs/dbraw/zinc/03/44/09/924034409.db2.gz GCMVOXRZRWIOGY-JQCXWYLXSA-N 0 1 256.258 0.110 20 5 CCBDMN CC/C(C)=C\C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001348220690 924622873 /nfs/dbraw/zinc/62/28/73/924622873.db2.gz LAUIYJHUANIHHM-NRCZCXPTSA-N 0 1 295.339 0.679 20 5 CCBDMN O=C(NCCNC(=O)C1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001348615429 924750823 /nfs/dbraw/zinc/75/08/23/924750823.db2.gz QAIFOMUNLYKEKK-VXGBXAGGSA-N 0 1 297.355 0.854 20 5 CCBDMN C/C=C(\C)C(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001351366099 925409969 /nfs/dbraw/zinc/40/99/69/925409969.db2.gz DFBTWCRTKYJVKA-MJMLHWTPSA-N 0 1 283.328 0.583 20 5 CCBDMN O=C(NCc1n[nH]c(-c2ccncc2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001451587384 931455548 /nfs/dbraw/zinc/45/55/48/931455548.db2.gz AYAMGOXTQIKJTA-RKDXNWHRSA-N 0 1 288.267 0.148 20 5 CCBDMN O=C([O-])[C@@H]1C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000401899332 973503067 /nfs/dbraw/zinc/50/30/67/973503067.db2.gz CKSJGLWZPRTRAP-PWSUYJOCSA-N 0 1 280.280 0.862 20 5 CCBDMN CC(C)C[N@@H+](CC(=O)[O-])Cc1cn(C)nc1[N+](=O)[O-] ZINC001591303275 992251263 /nfs/dbraw/zinc/25/12/63/992251263.db2.gz PKALAWFNIKMBSZ-UHFFFAOYSA-N 0 1 270.289 0.871 20 5 CCBDMN CCc1nn(C)c(NC[C@@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC000091560469 349467315 /nfs/dbraw/zinc/46/73/15/349467315.db2.gz SLZJBVMMYYODDO-SNVBAGLBSA-N 0 1 296.375 0.548 20 5 CCBDMN C[C@@H]1CO[C@@H](CO)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092041281 349481119 /nfs/dbraw/zinc/48/11/19/349481119.db2.gz MIDMGXOKIHHGCJ-BXKDBHETSA-N 0 1 282.296 0.882 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCS(=O)(=O)CC1 ZINC000093047366 349522364 /nfs/dbraw/zinc/52/23/64/349522364.db2.gz XIHDIMVRAXFELN-UHFFFAOYSA-N 0 1 286.309 0.531 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000096477755 349618817 /nfs/dbraw/zinc/61/88/17/349618817.db2.gz BZWBNZNUCJNUGP-UHFFFAOYSA-N 0 1 266.192 0.177 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC)C2COC2)c1[N+](=O)[O-] ZINC000453006046 529465571 /nfs/dbraw/zinc/46/55/71/529465571.db2.gz KUOWGUXOZNTTEV-UHFFFAOYSA-N 0 1 268.273 0.741 20 5 CCBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2COCCN2)c(F)c1 ZINC000600678521 362032375 /nfs/dbraw/zinc/03/23/75/362032375.db2.gz SANCJPCOODIHSK-SNVBAGLBSA-N 0 1 269.276 0.812 20 5 CCBDMN Cc1ccc(C(=O)NCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600806769 362063665 /nfs/dbraw/zinc/06/36/65/362063665.db2.gz FPNDZCOQRBUHNR-LBPRGKRZSA-N 0 1 293.323 0.700 20 5 CCBDMN O=[N+]([O-])c1ccc2c(ccnc2NC[C@H]2COCCN2)c1 ZINC000600954045 362099732 /nfs/dbraw/zinc/09/97/32/362099732.db2.gz LMLWTUUPZLXCSP-NSHDSACASA-N 0 1 288.307 0.965 20 5 CCBDMN C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCC1 ZINC000600825331 362073700 /nfs/dbraw/zinc/07/37/00/362073700.db2.gz RYSWOZMOQVPQIY-UHFFFAOYSA-N 0 1 280.284 0.567 20 5 CCBDMN C[NH2+]C1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC1 ZINC000600826626 362073937 /nfs/dbraw/zinc/07/39/37/362073937.db2.gz QQEQRKJUBNXKMY-UHFFFAOYSA-N 0 1 280.284 0.567 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000126404562 187237397 /nfs/dbraw/zinc/23/73/97/187237397.db2.gz PTGKWGMPLMHRPE-SSDOTTSWSA-N 0 1 270.289 0.723 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CCN(C)C(C)(C)C1 ZINC000601187072 362170915 /nfs/dbraw/zinc/17/09/15/362170915.db2.gz NFCCBMNGRFVYFF-UHFFFAOYSA-N 0 1 253.306 0.859 20 5 CCBDMN CCc1nc(CNc2ncc([N+](=O)[O-])c(C)n2)n[nH]1 ZINC000295043497 199316684 /nfs/dbraw/zinc/31/66/84/199316684.db2.gz XHNLKBQJZGYVHJ-UHFFFAOYSA-N 0 1 263.261 0.986 20 5 CCBDMN CCN1CCN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C ZINC000602478005 362637273 /nfs/dbraw/zinc/63/72/73/362637273.db2.gz ZLTCRFAMDRSPLK-SNVBAGLBSA-N 0 1 267.333 0.854 20 5 CCBDMN Cn1cc(CN2CC[C@H](CCCO)C2)c([N+](=O)[O-])n1 ZINC000602686029 362749146 /nfs/dbraw/zinc/74/91/46/362749146.db2.gz NKGMBLUUVJTXOP-JTQLQIEISA-N 0 1 268.317 0.923 20 5 CCBDMN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000307858872 137070905 /nfs/dbraw/zinc/07/09/05/137070905.db2.gz INILMFLWQWWFAH-UHFFFAOYSA-N 0 1 293.327 0.740 20 5 CCBDMN Cc1n[nH]cc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343326182 137128370 /nfs/dbraw/zinc/12/83/70/137128370.db2.gz VVNXNHRAKQWYLX-UHFFFAOYSA-N 0 1 250.218 0.279 20 5 CCBDMN O=C([O-])[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000043705002 348313613 /nfs/dbraw/zinc/31/36/13/348313613.db2.gz YNSCPFXHOJOZQE-GFCCVEGCSA-N 0 1 280.280 0.923 20 5 CCBDMN O=C([O-])[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000043705002 348313615 /nfs/dbraw/zinc/31/36/15/348313615.db2.gz YNSCPFXHOJOZQE-GFCCVEGCSA-N 0 1 280.280 0.923 20 5 CCBDMN CC(=O)C[C@@H]1COCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000273385546 192134150 /nfs/dbraw/zinc/13/41/50/192134150.db2.gz RTABMHJLKCIHOF-SECBINFHSA-N 0 1 296.283 0.446 20 5 CCBDMN CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000067717841 348783260 /nfs/dbraw/zinc/78/32/60/348783260.db2.gz WKQKVXROKGRLFJ-UHFFFAOYSA-N 0 1 299.352 0.967 20 5 CCBDMN COC[C@H](O)CNCc1cc([N+](=O)[O-])ccc1OC ZINC000071272152 348906634 /nfs/dbraw/zinc/90/66/34/348906634.db2.gz RRYLACBODHIGGT-LLVKDONJSA-N 0 1 270.285 0.700 20 5 CCBDMN C[C@@H]1C[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000271285792 191051066 /nfs/dbraw/zinc/05/10/66/191051066.db2.gz DDLJXEGQFDBWNH-SFYZADRCSA-N 0 1 268.273 0.863 20 5 CCBDMN COCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128570156 350194846 /nfs/dbraw/zinc/19/48/46/350194846.db2.gz NPXYKFBTZNVEBQ-UHFFFAOYSA-N 0 1 278.261 0.659 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC(N(C)C)C1 ZINC000134954093 350381188 /nfs/dbraw/zinc/38/11/88/350381188.db2.gz LAFJGXYKXFAODX-UHFFFAOYSA-N 0 1 281.316 0.262 20 5 CCBDMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000107212290 186163637 /nfs/dbraw/zinc/16/36/37/186163637.db2.gz ODFVBBXGLNAROH-SNVBAGLBSA-N 0 1 299.352 0.919 20 5 CCBDMN CC(C)(O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000161006408 350710267 /nfs/dbraw/zinc/71/02/67/350710267.db2.gz LJPRRDOSKOBTFY-UHFFFAOYSA-N 0 1 292.288 0.783 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)COC)c1[N+](=O)[O-] ZINC000171371864 350904908 /nfs/dbraw/zinc/90/49/08/350904908.db2.gz SIKKEPKJVAJBOQ-ZETCQYMHSA-N 0 1 270.289 0.987 20 5 CCBDMN O=C(NCc1cc[nH]n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000541872682 290940001 /nfs/dbraw/zinc/94/00/01/290940001.db2.gz LXOMGOMZXWONQY-UHFFFAOYSA-N 0 1 262.225 0.954 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2C(=O)OC)c1[N+](=O)[O-] ZINC000195412571 351911686 /nfs/dbraw/zinc/91/16/86/351911686.db2.gz HUOJHXUZFSFIIK-QMMMGPOBSA-N 0 1 296.283 0.658 20 5 CCBDMN C[C@H]1C[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CN1C1CC1 ZINC000271456122 191148036 /nfs/dbraw/zinc/14/80/36/191148036.db2.gz WPIFDNKGVFEMJP-IUCAKERBSA-N 0 1 293.327 0.683 20 5 CCBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1nnc[nH]1 ZINC000227766486 352059079 /nfs/dbraw/zinc/05/90/79/352059079.db2.gz UCBQRALPWWOLTE-RXMQYKEDSA-N 0 1 250.218 0.532 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC([C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000265629474 352651594 /nfs/dbraw/zinc/65/15/94/352651594.db2.gz SJFCYLCCPXFWBO-MRVPVSSYSA-N 0 1 282.300 0.859 20 5 CCBDMN O=C1CCCN1[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000270487099 352938788 /nfs/dbraw/zinc/93/87/88/352938788.db2.gz AIGZBKCRSHSTRE-NSHDSACASA-N 0 1 293.327 0.488 20 5 CCBDMN C[C@@H](Cn1cccn1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270615965 352957260 /nfs/dbraw/zinc/95/72/60/352957260.db2.gz QEXNTZOTPPATFM-ZETCQYMHSA-N 0 1 264.245 0.333 20 5 CCBDMN CCC(CC)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C(N)=O ZINC000270850793 352995819 /nfs/dbraw/zinc/99/58/19/352995819.db2.gz XVXOKQCKLLBTNX-UHFFFAOYSA-N 0 1 269.261 0.092 20 5 CCBDMN CCOC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000274578427 353142921 /nfs/dbraw/zinc/14/29/21/353142921.db2.gz NRGQWLLEBYUUBO-ZETCQYMHSA-N 0 1 297.271 0.279 20 5 CCBDMN Cc1nn(C)c(C(=O)N(C)[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000153420158 188082099 /nfs/dbraw/zinc/08/20/99/188082099.db2.gz VTOHHLSFXIGNOK-SNVBAGLBSA-N 0 1 295.343 0.803 20 5 CCBDMN CO[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1OC ZINC000276967533 353214357 /nfs/dbraw/zinc/21/43/57/353214357.db2.gz XUSYKRHIJQEIJS-AOOOYVTPSA-N 0 1 270.289 0.137 20 5 CCBDMN Cn1cc2c(n1)CCC[C@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000282369129 353417550 /nfs/dbraw/zinc/41/75/50/353417550.db2.gz BXDCLJYJFQJXLV-MRVPVSSYSA-N 0 1 290.283 0.859 20 5 CCBDMN CC(C)[C@@](C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000287888826 353674221 /nfs/dbraw/zinc/67/42/21/353674221.db2.gz NLTRLPDUJFSNAM-CYBMUJFWSA-N 0 1 295.295 0.930 20 5 CCBDMN COCC[C@@H]1COCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000291205909 353773566 /nfs/dbraw/zinc/77/35/66/353773566.db2.gz NPEROIXMKLCUMY-SECBINFHSA-N 0 1 298.299 0.504 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](O)C2)c1[N+](=O)[O-] ZINC000299548984 354026503 /nfs/dbraw/zinc/02/65/03/354026503.db2.gz QGOCDAVXSLFZKY-ZETCQYMHSA-N 0 1 254.246 0.223 20 5 CCBDMN O=C(NC[C@@H](O)Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000305732518 354156191 /nfs/dbraw/zinc/15/61/91/354156191.db2.gz KWSAEKUKLFBNPJ-JTQLQIEISA-N 0 1 290.279 0.651 20 5 CCBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000531888853 358487070 /nfs/dbraw/zinc/48/70/70/358487070.db2.gz UUKHWYUEIYQTTP-SECBINFHSA-N 0 1 276.296 0.956 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(C)(OC)C2)c1[N+](=O)[O-] ZINC000331391185 354561444 /nfs/dbraw/zinc/56/14/44/354561444.db2.gz JZXJLOGWKDQYJN-UHFFFAOYSA-N 0 1 268.273 0.741 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000346062187 355867421 /nfs/dbraw/zinc/86/74/21/355867421.db2.gz XRWLFBZQYLOTHS-WDEREUQCSA-N 0 1 295.343 0.732 20 5 CCBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361191387 138024937 /nfs/dbraw/zinc/02/49/37/138024937.db2.gz RXOZVWFYOVPTAN-QMMMGPOBSA-N 0 1 268.273 0.877 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000619423287 366249420 /nfs/dbraw/zinc/24/94/20/366249420.db2.gz PEOIQWRWIGVDLD-MRVPVSSYSA-N 0 1 280.284 0.735 20 5 CCBDMN CCOC(=O)CN(CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000609585340 363507417 /nfs/dbraw/zinc/50/74/17/363507417.db2.gz GALSBVXEMZIHNV-UHFFFAOYSA-N 0 1 284.272 0.652 20 5 CCBDMN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000366169335 357188734 /nfs/dbraw/zinc/18/87/34/357188734.db2.gz JXAISVCNCDTFDH-ILAIQSSSSA-N 0 1 254.286 0.725 20 5 CCBDMN COC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000610571606 363580768 /nfs/dbraw/zinc/58/07/68/363580768.db2.gz HQEZYUASRBFMRF-UHFFFAOYSA-N 0 1 296.327 0.764 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ncc[nH]1 ZINC000378522281 357690208 /nfs/dbraw/zinc/69/02/08/357690208.db2.gz XBBXPMZNKPOBTD-HRDYMLBCSA-N 0 1 250.258 0.738 20 5 CCBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H](C)N1CCO ZINC000450798273 236112614 /nfs/dbraw/zinc/11/26/14/236112614.db2.gz UNYSUBWTGDCHPL-PHIMTYICSA-N 0 1 280.328 0.881 20 5 CCBDMN COC[C@@](C)(CO)[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000610786979 363615118 /nfs/dbraw/zinc/61/51/18/363615118.db2.gz WWXYLRMCQREJMC-GFCCVEGCSA-N 0 1 270.285 0.787 20 5 CCBDMN Cc1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000569952842 358809035 /nfs/dbraw/zinc/80/90/35/358809035.db2.gz XLPOOEKPKYDKMS-LURJTMIESA-N 0 1 276.256 0.907 20 5 CCBDMN O=C1NCC[C@@]12CCCN2CCn1ccc([N+](=O)[O-])n1 ZINC000573335837 358957836 /nfs/dbraw/zinc/95/78/36/358957836.db2.gz BQUHKJOROAEMFB-LBPRGKRZSA-N 0 1 279.300 0.146 20 5 CCBDMN O=C(N[C@@H]1CCc2cncn2C1)c1[nH]ncc1[N+](=O)[O-] ZINC000587056870 359298041 /nfs/dbraw/zinc/29/80/41/359298041.db2.gz PAMGKUPKRSPKJY-SSDOTTSWSA-N 0 1 276.256 0.259 20 5 CCBDMN O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1[n-]ncc1[N+](=O)[O-] ZINC000587056870 359298048 /nfs/dbraw/zinc/29/80/48/359298048.db2.gz PAMGKUPKRSPKJY-SSDOTTSWSA-N 0 1 276.256 0.259 20 5 CCBDMN O=C(N[C@H]1CCc2cncn2C1)c1[nH]ncc1[N+](=O)[O-] ZINC000587056875 359298662 /nfs/dbraw/zinc/29/86/62/359298662.db2.gz PAMGKUPKRSPKJY-ZETCQYMHSA-N 0 1 276.256 0.259 20 5 CCBDMN O=C(N[C@H]1CCc2c[nH+]cn2C1)c1[n-]ncc1[N+](=O)[O-] ZINC000587056875 359298667 /nfs/dbraw/zinc/29/86/67/359298667.db2.gz PAMGKUPKRSPKJY-ZETCQYMHSA-N 0 1 276.256 0.259 20 5 CCBDMN CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611087949 363657656 /nfs/dbraw/zinc/65/76/56/363657656.db2.gz VELSKCLIUYOIKP-JTQLQIEISA-N 0 1 281.316 0.344 20 5 CCBDMN C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000590402350 359453883 /nfs/dbraw/zinc/45/38/83/359453883.db2.gz CUJUKROXXGXGCA-KCJUWKMLSA-N 0 1 294.311 0.860 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCO[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000590433975 359461120 /nfs/dbraw/zinc/46/11/20/359461120.db2.gz XXSFUERTIOFUDE-NKWVEPMBSA-N 0 1 252.230 0.240 20 5 CCBDMN COc1cc(Cn2nnnc2CN)c([N+](=O)[O-])cc1F ZINC000592173193 359777342 /nfs/dbraw/zinc/77/73/42/359777342.db2.gz SVPKZBNELUDQNV-UHFFFAOYSA-N 0 1 282.235 0.236 20 5 CCBDMN O=C(N[C@@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592329902 359818601 /nfs/dbraw/zinc/81/86/01/359818601.db2.gz BMHOQPFBPVZKTM-MRVPVSSYSA-N 0 1 280.284 0.567 20 5 CCBDMN O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592338667 359821746 /nfs/dbraw/zinc/82/17/46/359821746.db2.gz YRTMJXDVCQLEPZ-BQBZGAKWSA-N 0 1 284.247 0.125 20 5 CCBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000611202117 363680410 /nfs/dbraw/zinc/68/04/10/363680410.db2.gz AQROCZHYZGXZRJ-SSDOTTSWSA-N 0 1 265.273 0.284 20 5 CCBDMN CC[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC000592861485 359963416 /nfs/dbraw/zinc/96/34/16/359963416.db2.gz PIFTUMZAPAZMHR-LURJTMIESA-N 0 1 270.245 0.247 20 5 CCBDMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563280042 291212228 /nfs/dbraw/zinc/21/22/28/291212228.db2.gz JRKTUEXLDQODGL-NXEZZACHSA-N 0 1 298.295 0.739 20 5 CCBDMN CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CO1 ZINC000593064719 360025890 /nfs/dbraw/zinc/02/58/90/360025890.db2.gz VMDHPXRFWZGXIH-WCFLWFBJSA-N 0 1 298.343 0.652 20 5 CCBDMN O=C([O-])C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000593291716 360062584 /nfs/dbraw/zinc/06/25/84/360062584.db2.gz STARQKLBXJAIOB-UHFFFAOYSA-N 0 1 268.273 0.588 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593873226 360186412 /nfs/dbraw/zinc/18/64/12/360186412.db2.gz VREKBEPBDNXZCO-IETGTNBPSA-N 0 1 296.304 0.646 20 5 CCBDMN CCOCCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594744577 360373238 /nfs/dbraw/zinc/37/32/38/360373238.db2.gz KSQZRSMFYHJGCU-UHFFFAOYSA-N 0 1 289.313 0.695 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000594744731 360373491 /nfs/dbraw/zinc/37/34/91/360373491.db2.gz NKTBJFSTJJVKJM-MRVPVSSYSA-N 0 1 287.297 0.447 20 5 CCBDMN CC[C@@H](O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594764540 360377869 /nfs/dbraw/zinc/37/78/69/360377869.db2.gz OROJIYHFJAJQSW-MRVPVSSYSA-N 0 1 289.313 0.429 20 5 CCBDMN CC(C)OCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772600 360380615 /nfs/dbraw/zinc/38/06/15/360380615.db2.gz NAJAKPIEJNUOGB-UHFFFAOYSA-N 0 1 289.313 0.693 20 5 CCBDMN CNC(=O)[C@]1(C)CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595471576 360543915 /nfs/dbraw/zinc/54/39/15/360543915.db2.gz BPRSDZZECWSUHX-GFCCVEGCSA-N 0 1 282.300 0.849 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](O)C2)c1 ZINC000178860404 189150892 /nfs/dbraw/zinc/15/08/92/189150892.db2.gz KMZQVWOBPVPRMI-NWDGAFQWSA-N 0 1 252.270 0.695 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000598394342 361404218 /nfs/dbraw/zinc/40/42/18/361404218.db2.gz NCUGOLJOYHPWFL-IUCAKERBSA-N 0 1 294.311 0.989 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nccn1C ZINC000598465311 361424464 /nfs/dbraw/zinc/42/44/64/361424464.db2.gz PRAMNEQQHNNCFG-LURJTMIESA-N 0 1 264.245 0.542 20 5 CCBDMN NC(=O)c1ccc(NCCN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599175646 361598963 /nfs/dbraw/zinc/59/89/63/361598963.db2.gz GKOUZYGFVIPYJG-SNVBAGLBSA-N 0 1 294.311 0.172 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2CCC2)n1 ZINC000599213105 361613049 /nfs/dbraw/zinc/61/30/49/361613049.db2.gz LSPMTCKJMHREGG-UHFFFAOYSA-N 0 1 274.302 0.407 20 5 CCBDMN C[NH+]1CCN(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000614274090 364557981 /nfs/dbraw/zinc/55/79/81/364557981.db2.gz WELOZFXVYZTQFD-UHFFFAOYSA-N 0 1 294.311 0.486 20 5 CCBDMN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1c[nH]nn1 ZINC000615703135 365057063 /nfs/dbraw/zinc/05/70/63/365057063.db2.gz MXLMLXJVYBCESK-UHFFFAOYSA-N 0 1 297.296 0.729 20 5 CCBDMN C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1C ZINC000330601337 203023085 /nfs/dbraw/zinc/02/30/85/203023085.db2.gz VRZBJCHADTUKDO-MNOVXSKESA-N 0 1 295.343 0.732 20 5 CCBDMN CNC(=O)[C@@H]1CCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000330591936 203011873 /nfs/dbraw/zinc/01/18/73/203011873.db2.gz XZYWEESEDPPSSM-BDAKNGLRSA-N 0 1 281.316 0.333 20 5 CCBDMN C[C@@H](O)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](C)CO ZINC000276067550 193204089 /nfs/dbraw/zinc/20/40/89/193204089.db2.gz UNAHJDKSNUYESK-RKDXNWHRSA-N 0 1 298.295 0.504 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000330786820 203235657 /nfs/dbraw/zinc/23/56/57/203235657.db2.gz WDRXIKCGAKATLR-HTQZYQBOSA-N 0 1 268.273 0.863 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000332732403 204932366 /nfs/dbraw/zinc/93/23/66/204932366.db2.gz WHDMLPLYDACSGA-SSDOTTSWSA-N 0 1 268.273 0.335 20 5 CCBDMN [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000574754707 335044720 /nfs/dbraw/zinc/04/47/20/335044720.db2.gz KHSXBSKTOIQYRO-YUMQZZPRSA-N 0 1 280.284 0.553 20 5 CCBDMN O=C(NCCN1CC=CCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000355362106 389066849 /nfs/dbraw/zinc/06/68/49/389066849.db2.gz DANFKHWCXVLIQV-UHFFFAOYSA-N 0 1 264.285 0.915 20 5 CCBDMN Cc1n[nH]cc1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000129855757 389194546 /nfs/dbraw/zinc/19/45/46/389194546.db2.gz UGFGQLHLIKQBOB-UHFFFAOYSA-N 0 1 278.272 0.712 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)CCO)c1[N+](=O)[O-] ZINC000129903178 389195309 /nfs/dbraw/zinc/19/53/09/389195309.db2.gz FUSPEVRTMOXPKV-UHFFFAOYSA-N 0 1 256.262 0.335 20 5 CCBDMN C[C@@H]1CSC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000342315162 389209984 /nfs/dbraw/zinc/20/99/84/389209984.db2.gz KVMJOYJOMJIIFH-PHDIDXHHSA-N 0 1 256.287 0.799 20 5 CCBDMN O=C(NC[C@@H](CO)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000133027244 389230133 /nfs/dbraw/zinc/23/01/33/389230133.db2.gz QEFYRIDLWBUYCX-JTQLQIEISA-N 0 1 290.279 0.824 20 5 CCBDMN C[C@H]1CCOCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000362232453 389232459 /nfs/dbraw/zinc/23/24/59/389232459.db2.gz BNJOTSNHADKSRG-JTQLQIEISA-N 0 1 254.290 0.902 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000264241910 389314735 /nfs/dbraw/zinc/31/47/35/389314735.db2.gz FEJKFAGNTSXZMZ-UHFFFAOYSA-N 0 1 253.262 0.014 20 5 CCBDMN COCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000264558901 389335481 /nfs/dbraw/zinc/33/54/81/389335481.db2.gz QHIZWTSHVOXCEK-VIFPVBQESA-N 0 1 283.284 0.638 20 5 CCBDMN Cc1nn(C)c(C(=O)N2C[C@H](C)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000153434275 389300643 /nfs/dbraw/zinc/30/06/43/389300643.db2.gz OYIBVXIEYVCSJT-YUMQZZPRSA-N 0 1 281.316 0.459 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCO1 ZINC000159760880 389372758 /nfs/dbraw/zinc/37/27/58/389372758.db2.gz XPZBUABBPJKISN-LBPRGKRZSA-N 0 1 281.312 0.867 20 5 CCBDMN Cn1ncc2c1CCC[C@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000271070277 389437628 /nfs/dbraw/zinc/43/76/28/389437628.db2.gz XJHHGTSHKUBWLH-MRVPVSSYSA-N 0 1 290.283 0.859 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2cn[nH]c2)CC1 ZINC000375808542 389715557 /nfs/dbraw/zinc/71/55/57/389715557.db2.gz CWDFVUSQKBUFPF-GHMZBOCLSA-N 0 1 264.285 0.781 20 5 CCBDMN COCCO[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000179355541 389653624 /nfs/dbraw/zinc/65/36/24/389653624.db2.gz NMOWPXCSSGWSRL-LBPRGKRZSA-N 0 1 298.343 0.919 20 5 CCBDMN COCCO[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000179355541 389653627 /nfs/dbraw/zinc/65/36/27/389653627.db2.gz NMOWPXCSSGWSRL-LBPRGKRZSA-N 0 1 298.343 0.919 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CNCCO1 ZINC000429978332 389777875 /nfs/dbraw/zinc/77/78/75/389777875.db2.gz XUPNYTKLRMMLSM-LBPRGKRZSA-N 0 1 295.295 0.208 20 5 CCBDMN CNC(=O)[C@]1(C)CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000430250082 389788908 /nfs/dbraw/zinc/78/89/08/389788908.db2.gz RWTCTMNKTCXXSN-GFCCVEGCSA-N 0 1 281.316 0.286 20 5 CCBDMN CCc1nc(C(C)(C)NC(=O)c2n[nH]cc2[N+](=O)[O-])no1 ZINC000443175021 389874797 /nfs/dbraw/zinc/87/47/97/389874797.db2.gz BEIAJXRMMVNYTR-UHFFFAOYSA-N 0 1 294.271 0.928 20 5 CCBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ncc[nH]1 ZINC000442796464 389863086 /nfs/dbraw/zinc/86/30/86/389863086.db2.gz SWRGUSWBAXAIJO-ZCFIWIBFSA-N 0 1 264.245 0.922 20 5 CCBDMN CC[C@@H](NC(=O)c1[n-]ncc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000442796464 389863087 /nfs/dbraw/zinc/86/30/87/389863087.db2.gz SWRGUSWBAXAIJO-ZCFIWIBFSA-N 0 1 264.245 0.922 20 5 CCBDMN CNC(=O)[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000420982181 390042429 /nfs/dbraw/zinc/04/24/29/390042429.db2.gz XMLLKUSRZIFURB-VIFPVBQESA-N 0 1 279.296 0.868 20 5 CCBDMN C[C@@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000457182843 390033856 /nfs/dbraw/zinc/03/38/56/390033856.db2.gz KEMZEBNYIZTSJB-ZDUSSCGKSA-N 0 1 293.279 0.699 20 5 CCBDMN C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000572640883 390794744 /nfs/dbraw/zinc/79/47/44/390794744.db2.gz JLIBEZWPAMKMCN-YUMQZZPRSA-N 0 1 280.284 0.505 20 5 CCBDMN C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000578768389 390901820 /nfs/dbraw/zinc/90/18/20/390901820.db2.gz XZZJCVYKLQOFGH-JGVFFNPUSA-N 0 1 280.284 0.505 20 5 CCBDMN Cc1[nH]nc(C(=O)N(CCO)CC(F)F)c1[N+](=O)[O-] ZINC000279870256 533658640 /nfs/dbraw/zinc/65/86/40/533658640.db2.gz VZPBLXCAJVPNET-UHFFFAOYSA-N 0 1 278.215 0.326 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC(=O)N(CC)C2)c1[N+](=O)[O-] ZINC000190556783 130118825 /nfs/dbraw/zinc/11/88/25/130118825.db2.gz SMDIXKKLXRABEG-UHFFFAOYSA-N 0 1 295.299 0.532 20 5 CCBDMN C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000247487567 131103616 /nfs/dbraw/zinc/10/36/16/131103616.db2.gz UASFMSMQLNYUDX-WDEREUQCSA-N 0 1 295.343 0.590 20 5 CCBDMN Cc1nn(C)cc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000196747229 397427404 /nfs/dbraw/zinc/42/74/04/397427404.db2.gz LGJPUXBBRFXDFI-UHFFFAOYSA-N 0 1 264.245 0.290 20 5 CCBDMN COCCN1CCC[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000132275445 397413691 /nfs/dbraw/zinc/41/36/91/397413691.db2.gz FTBHIYPLALQFQB-VIFPVBQESA-N 0 1 297.315 0.159 20 5 CCBDMN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CCCN1C ZINC000356730158 144027663 /nfs/dbraw/zinc/02/76/63/144027663.db2.gz HVLICILZGWPNDI-IUCAKERBSA-N 0 1 281.316 0.541 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000356844881 144037329 /nfs/dbraw/zinc/03/73/29/144037329.db2.gz INZQEEOKBMEXIM-ZJUUUORDSA-N 0 1 295.343 0.651 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000356844880 144037552 /nfs/dbraw/zinc/03/75/52/144037552.db2.gz INZQEEOKBMEXIM-VHSXEESVSA-N 0 1 295.343 0.651 20 5 CCBDMN NC(=O)c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c[nH]1 ZINC000357027541 144051494 /nfs/dbraw/zinc/05/14/94/144051494.db2.gz MTQPNDJRAXITPP-UHFFFAOYSA-N 0 1 290.235 0.980 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC2(c3nn[nH]n3)CC2)c1 ZINC000357080161 144057487 /nfs/dbraw/zinc/05/74/87/144057487.db2.gz SMFMDZHBVJZPHR-UHFFFAOYSA-N 0 1 288.267 0.835 20 5 CCBDMN COc1ccc(C(=O)NCc2nn[nH]n2)cc1[N+](=O)[O-] ZINC000044929491 411632728 /nfs/dbraw/zinc/63/27/28/411632728.db2.gz VFBZANQJNLDZCQ-UHFFFAOYSA-N 0 1 278.228 0.047 20 5 CCBDMN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1COC[C@H]1O ZINC000285480080 196299214 /nfs/dbraw/zinc/29/92/14/196299214.db2.gz HZHAUROVPIPONO-JHJVBQTASA-N 0 1 282.296 0.320 20 5 CCBDMN CCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])n[nH]2)n[nH]1 ZINC000285727687 196379688 /nfs/dbraw/zinc/37/96/88/196379688.db2.gz GFNUQFVPLAXXGG-YFKPBYRVSA-N 0 1 279.260 0.489 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(C)CC(=O)OCC)c1[N+](=O)[O-] ZINC000078593390 177357100 /nfs/dbraw/zinc/35/71/00/177357100.db2.gz WXAGWWLEVBLONB-UHFFFAOYSA-N 0 1 298.299 0.906 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCCN(C)C2)n1 ZINC000191635462 227082888 /nfs/dbraw/zinc/08/28/88/227082888.db2.gz MIAFVYYKXJUAON-JTQLQIEISA-N 0 1 295.343 0.977 20 5 CCBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H](C)N1C ZINC000292752002 274369960 /nfs/dbraw/zinc/36/99/60/274369960.db2.gz JTJDZHOXMHVNSI-DTORHVGOSA-N 0 1 251.290 0.914 20 5 CCBDMN CN1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@@H]21 ZINC000413469989 277124728 /nfs/dbraw/zinc/12/47/28/277124728.db2.gz MAHQITJNMXZAHC-WDEREUQCSA-N 0 1 264.285 0.509 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N=c2ncn(C)[nH]2)c1[N+](=O)[O-] ZINC000356423472 278001676 /nfs/dbraw/zinc/00/16/76/278001676.db2.gz NYFXTLKFPKDMNF-UHFFFAOYSA-N 0 1 279.260 0.244 20 5 CCBDMN CC[C@@H]1C(=O)NCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269271817 280228661 /nfs/dbraw/zinc/22/86/61/280228661.db2.gz GQPRHBIASPWEJD-LLVKDONJSA-N 0 1 293.279 0.651 20 5 CCBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H](C)[NH3+] ZINC000575867470 335126054 /nfs/dbraw/zinc/12/60/54/335126054.db2.gz SZGODDISFPWCGA-NTSWFWBYSA-N 0 1 254.246 0.161 20 5 CCBDMN Cc1nnsc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000384243821 336122671 /nfs/dbraw/zinc/12/26/71/336122671.db2.gz JUYYIAUEZJHBDY-VIFPVBQESA-N 0 1 298.328 0.102 20 5 CCBDMN CCCN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000365091475 519850136 /nfs/dbraw/zinc/85/01/36/519850136.db2.gz UZFARICBAYMUNK-NXEZZACHSA-N 0 1 269.301 0.123 20 5 CCBDMN C[C@@H](O)[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000412090425 533822502 /nfs/dbraw/zinc/82/25/02/533822502.db2.gz PGDGUGQVVVOLCS-RNCFNFMXSA-N 0 1 282.296 0.882 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CCO)CC2CC2)c1[N+](=O)[O-] ZINC000340739755 523666127 /nfs/dbraw/zinc/66/61/27/523666127.db2.gz JUIRSEAFHNZKHO-UHFFFAOYSA-N 0 1 282.300 0.725 20 5 CCBDMN COC(=O)C[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000269449145 536317146 /nfs/dbraw/zinc/31/71/46/536317146.db2.gz HLVXHSXUDWZRGZ-QMMMGPOBSA-N 0 1 296.283 0.794 20 5 CCBDMN O=C(O[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000726328573 581237374 /nfs/dbraw/zinc/23/73/74/581237374.db2.gz RPSCFTLIOBHMHA-ZCFIWIBFSA-N 0 1 274.254 0.267 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000748347663 581274646 /nfs/dbraw/zinc/27/46/46/581274646.db2.gz FPDIYSIQYGWIRM-SSDOTTSWSA-N 0 1 267.289 0.402 20 5 CCBDMN O=C(NCc1cccnc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000794017239 581329696 /nfs/dbraw/zinc/32/96/96/581329696.db2.gz AMLKJLGSYJYWRN-UHFFFAOYSA-N 0 1 265.204 0.782 20 5 CCBDMN CC(C)(C(=O)NOCCO)c1ccc([N+](=O)[O-])cc1 ZINC000787298247 581466298 /nfs/dbraw/zinc/46/62/98/581466298.db2.gz FEQANCCTMNUVQY-UHFFFAOYSA-N 0 1 268.269 0.913 20 5 CCBDMN CC[C@H](C(=O)OCCn1cnc([N+](=O)[O-])n1)N(CC)CC ZINC000765962727 581541651 /nfs/dbraw/zinc/54/16/51/581541651.db2.gz DTUZTLQLCNGNED-SNVBAGLBSA-N 0 1 299.331 0.850 20 5 CCBDMN Cc1nonc1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000742325968 581779222 /nfs/dbraw/zinc/77/92/22/581779222.db2.gz LWSZAIZWWMPTPH-UHFFFAOYSA-N 0 1 298.280 0.765 20 5 CCBDMN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000763893599 582019499 /nfs/dbraw/zinc/01/94/99/582019499.db2.gz XGLPXTUVGWEHOJ-KBPBESRZSA-N 0 1 296.323 0.711 20 5 CCBDMN COC(=O)N1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000764095125 582031235 /nfs/dbraw/zinc/03/12/35/582031235.db2.gz RVLBICNXCHMPLC-SSDOTTSWSA-N 0 1 297.271 0.279 20 5 CCBDMN C[C@@H](C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000827442769 601114850 /nfs/dbraw/zinc/11/48/50/601114850.db2.gz SIFXSCGPFOQHEM-QMMMGPOBSA-N 0 1 256.262 0.444 20 5 CCBDMN CC(C)[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839716313 614171385 /nfs/dbraw/zinc/17/13/85/614171385.db2.gz BVFYBKIESOQXGL-DBIOUOCHSA-N 0 1 256.302 0.971 20 5 CCBDMN CC(C)[C@H](C(=O)OCCn1cnc([N+](=O)[O-])n1)N(C)C ZINC000798836623 614194610 /nfs/dbraw/zinc/19/46/10/614194610.db2.gz GOOYXRCYPZIEKF-SECBINFHSA-N 0 1 285.304 0.316 20 5 CCBDMN COc1ccc(CNCCn2cc([N+](=O)[O-])cn2)nc1 ZINC000893133094 617257760 /nfs/dbraw/zinc/25/77/60/617257760.db2.gz AFFRKCOFRNGEMI-UHFFFAOYSA-N 0 1 277.284 0.985 20 5 CCBDMN C/C=C(\C)C(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946204275 613139357 /nfs/dbraw/zinc/13/93/57/613139357.db2.gz NCSCGONUOGICHX-UHTQEIBISA-N 0 1 295.339 0.725 20 5 CCBDMN C/C=C(/C)C(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954240266 613272130 /nfs/dbraw/zinc/27/21/30/613272130.db2.gz NADFCKHAJVYMFB-GKJMHVSUSA-N 0 1 281.312 0.287 20 5 CCBDMN CC(=O)N1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000944332996 613817737 /nfs/dbraw/zinc/81/77/37/613817737.db2.gz ULPPNBPPZHVMRK-VXGBXAGGSA-N 0 1 295.339 0.513 20 5 CCBDMN CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000943569473 614019529 /nfs/dbraw/zinc/01/95/29/614019529.db2.gz FRVFBWHUYPBSGJ-GWOFURMSSA-N 0 1 269.301 0.215 20 5 CCBDMN CC(C)c1nnc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC000839717821 614323149 /nfs/dbraw/zinc/32/31/49/614323149.db2.gz WCAQPWMMNPOHLJ-XLPZGREQSA-N 0 1 267.289 0.771 20 5 CCBDMN CC(C)c1nc([C@H](C)NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 ZINC000839717821 614323151 /nfs/dbraw/zinc/32/31/51/614323151.db2.gz WCAQPWMMNPOHLJ-XLPZGREQSA-N 0 1 267.289 0.771 20 5 CCBDMN CCC(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000948584792 614514524 /nfs/dbraw/zinc/51/45/24/614514524.db2.gz CCJYBCHQKNKIMT-GHMZBOCLSA-N 0 1 283.328 0.416 20 5 CCBDMN CCC(=O)N1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953927204 614518025 /nfs/dbraw/zinc/51/80/25/614518025.db2.gz VYMKUHKZOBWWNP-GHMZBOCLSA-N 0 1 283.328 0.511 20 5 CCBDMN CC1(C)[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000839689880 614870784 /nfs/dbraw/zinc/87/07/84/614870784.db2.gz ASTPZMRREZGGNP-CHHOWFRJSA-N 0 1 254.286 0.581 20 5 CCBDMN CCN1CC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000893874306 615242571 /nfs/dbraw/zinc/24/25/71/615242571.db2.gz VWVKBPSRZGVNPN-SNVBAGLBSA-N 0 1 295.343 0.737 20 5 CCBDMN CC[C@H](C)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000922801924 615702075 /nfs/dbraw/zinc/70/20/75/615702075.db2.gz FERWERRLBASDHP-KDXUFGMBSA-N 0 1 259.258 0.783 20 5 CCBDMN CCc1nnc(COC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000840673330 615814784 /nfs/dbraw/zinc/81/47/84/615814784.db2.gz KQESJYAHNZSHIX-PHDIDXHHSA-N 0 1 257.271 0.809 20 5 CCBDMN CCc1noc([C@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000840672555 615852069 /nfs/dbraw/zinc/85/20/69/615852069.db2.gz UFLPYWUXAXYIHD-RRKCRQDMSA-N 0 1 255.230 0.901 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(C)(C)F)C1 ZINC000954234569 615867370 /nfs/dbraw/zinc/86/73/70/615867370.db2.gz FSSDTLMFNHBRQX-RKDXNWHRSA-N 0 1 287.291 0.069 20 5 CCBDMN CC[C@H]1CCCCN1C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672518 615879336 /nfs/dbraw/zinc/87/93/36/615879336.db2.gz SLYYBUQBFUQAHM-HBNTYKKESA-N 0 1 284.312 0.986 20 5 CCBDMN CN(C)C(=O)[C@@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000857636661 616006283 /nfs/dbraw/zinc/00/62/83/616006283.db2.gz SQNXVYBAAYTTMH-HCVRKRLWSA-N 0 1 297.233 0.177 20 5 CCBDMN C[N@@H+](CCCNC(=O)[O-])CCn1cc([N+](=O)[O-])cn1 ZINC000828302934 616075138 /nfs/dbraw/zinc/07/51/38/616075138.db2.gz UEMHHCZRICTWIG-UHFFFAOYSA-N 0 1 271.277 0.381 20 5 CCBDMN CN1CC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819088807 616415770 /nfs/dbraw/zinc/41/57/70/616415770.db2.gz FSDVLLUZTDKCQK-NWDGAFQWSA-N 0 1 279.296 0.449 20 5 CCBDMN CN1CC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000928564588 616422428 /nfs/dbraw/zinc/42/24/28/616422428.db2.gz VNDUMWPXMBHGLT-LBPRGKRZSA-N 0 1 263.297 0.958 20 5 CCBDMN CN1CCc2c(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1=O ZINC000855863080 616459436 /nfs/dbraw/zinc/45/94/36/616459436.db2.gz ODUVVWOFBPNCMD-ZYHUDNBSSA-N 0 1 289.291 0.918 20 5 CCBDMN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840433509 616507949 /nfs/dbraw/zinc/50/79/49/616507949.db2.gz KNVRVUPZKLLYBQ-LXUNUROVSA-N 0 1 282.296 0.452 20 5 CCBDMN COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840409406 616651522 /nfs/dbraw/zinc/65/15/22/616651522.db2.gz ISCRAOOLFRQGHG-PRFIWBCESA-N 0 1 284.312 0.890 20 5 CCBDMN COC(=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000889169974 616698316 /nfs/dbraw/zinc/69/83/16/616698316.db2.gz RAKKWARGDLYCSW-HLTSFMKQSA-N 0 1 272.301 0.746 20 5 CCBDMN CNC(=O)c1ccc(N2CC[N@H+]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000599083407 616910175 /nfs/dbraw/zinc/91/01/75/616910175.db2.gz KWHJSIDRACQYRK-NSHDSACASA-N 0 1 290.323 0.849 20 5 CCBDMN CON(C)C(=O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000817663929 617036156 /nfs/dbraw/zinc/03/61/56/617036156.db2.gz LKGVZTLXINIDTF-UHFFFAOYSA-N 0 1 283.240 0.050 20 5 CCBDMN CN[C@@H](C)c1cn(Cc2cccnc2[N+](=O)[O-])nn1 ZINC000887462951 617042897 /nfs/dbraw/zinc/04/28/97/617042897.db2.gz KAHINKRPUNWYQZ-QMMMGPOBSA-N 0 1 262.273 0.910 20 5 CCBDMN CO[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000849806156 617169979 /nfs/dbraw/zinc/16/99/79/617169979.db2.gz DWEWLQUGVUPIOM-KYXWUPHJSA-N 0 1 259.258 0.246 20 5 CCBDMN NC(=O)[C@]1(c2ccccc2)CCN(CC[N+](=O)[O-])C1 ZINC000930716852 625421200 /nfs/dbraw/zinc/42/12/00/625421200.db2.gz HDUOFOGJSRRHCL-CYBMUJFWSA-N 0 1 263.297 0.392 20 5 CCBDMN C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000932343558 624490252 /nfs/dbraw/zinc/49/02/52/624490252.db2.gz BDBUMGBYPGOUAX-NSHDSACASA-N 0 1 281.312 0.867 20 5 CCBDMN O=C(CC1CCCCC1)NCCNCC[N+](=O)[O-] ZINC000905079024 634789132 /nfs/dbraw/zinc/78/91/32/634789132.db2.gz HHQXDJXYSLJRBO-UHFFFAOYSA-N 0 1 257.334 0.939 20 5 CCBDMN C[S@@](=O)Cc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905258549 634828677 /nfs/dbraw/zinc/82/86/77/634828677.db2.gz YGHBITZHKIOUHF-QGZVFWFLSA-N 0 1 256.327 0.931 20 5 CCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])c1nccs1 ZINC000840672974 631709577 /nfs/dbraw/zinc/70/95/77/631709577.db2.gz HBCYXSUFZDHTIF-PHDIDXHHSA-N 0 1 256.239 0.534 20 5 CCBDMN O=C(C1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000969001766 650036508 /nfs/dbraw/zinc/03/65/08/650036508.db2.gz VXEKDYQDTVCQJP-WRWGMCAJSA-N 0 1 293.323 0.263 20 5 CCBDMN O=[N+]([O-])CCNC[C@@H](O)COc1ccc(F)cc1 ZINC000899872380 633913431 /nfs/dbraw/zinc/91/34/31/633913431.db2.gz ACBAUUNHZSYIJA-SNVBAGLBSA-N 0 1 258.249 0.432 20 5 CCBDMN CC(C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)=C1CCC1 ZINC000991259120 635760979 /nfs/dbraw/zinc/76/09/79/635760979.db2.gz URSOGQXYHPDKFX-VXGBXAGGSA-N 0 1 293.323 0.479 20 5 CCBDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1c1ccc([N+](=O)[O-])cn1 ZINC000910458005 635774384 /nfs/dbraw/zinc/77/43/84/635774384.db2.gz ZTFIWPBBOXHJBC-JTQLQIEISA-N 0 1 294.311 0.975 20 5 CCBDMN C/C(=C\C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC000991281443 635832849 /nfs/dbraw/zinc/83/28/49/635832849.db2.gz TYLLFYNOJIRTDU-CNNIXMGKSA-N 0 1 293.323 0.335 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](N2CCC2)C1 ZINC000912919829 636703470 /nfs/dbraw/zinc/70/34/70/636703470.db2.gz PBRFQIZNZRBCAF-NSHDSACASA-N 0 1 293.327 0.406 20 5 CCBDMN O=C(OCCCn1ccccc1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842300307 637039734 /nfs/dbraw/zinc/03/97/34/637039734.db2.gz BNSFXTDZPNGYKG-NXEZZACHSA-N 0 1 266.253 0.447 20 5 CCBDMN CCNS(=O)(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000068980698 638283074 /nfs/dbraw/zinc/28/30/74/638283074.db2.gz LWUAFQPAFRTNHP-UHFFFAOYSA-N 0 1 287.341 0.624 20 5 CCBDMN CC(C)=C(F)C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001795215 639338976 /nfs/dbraw/zinc/33/89/76/639338976.db2.gz CCVACSWWIOAXPH-NXEZZACHSA-N 0 1 299.302 0.490 20 5 CCBDMN O=C(CCC1CC1)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001795599 639340527 /nfs/dbraw/zinc/34/05/27/639340527.db2.gz IEGZKAMTZFEQNI-VXGBXAGGSA-N 0 1 295.339 0.416 20 5 CCBDMN O=C(NCCCc1nccs1)[C@@H]1CC1[N+](=O)[O-] ZINC000839633799 640348521 /nfs/dbraw/zinc/34/85/21/640348521.db2.gz VOOKPJPQGTYLQD-HTQZYQBOSA-N 0 1 255.299 0.857 20 5 CCBDMN C[C@@](O)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC000839691453 640349611 /nfs/dbraw/zinc/34/96/11/640349611.db2.gz OKBIYVMGMZQVSB-SOCHQFKDSA-N 0 1 254.242 0.269 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000839679032 640352943 /nfs/dbraw/zinc/35/29/43/640352943.db2.gz FFFOXIXSIVSFOD-JMJZKYOTSA-N 0 1 277.280 0.795 20 5 CCBDMN Cc1nccc(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000839726148 640357659 /nfs/dbraw/zinc/35/76/59/640357659.db2.gz NGBGEWXWGGJFIS-GHMZBOCLSA-N 0 1 291.311 0.099 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1[C@H]1CCCO1 ZINC000839761940 640359990 /nfs/dbraw/zinc/35/99/90/640359990.db2.gz MZDIODXCYLROEM-CHWFTXMASA-N 0 1 270.285 0.058 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1CC(F)F ZINC000839761573 640360053 /nfs/dbraw/zinc/36/00/53/640360053.db2.gz IYUZOQUFHNEVTN-BWZBUEFSSA-N 0 1 264.228 0.534 20 5 CCBDMN O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839775639 640362863 /nfs/dbraw/zinc/36/28/63/640362863.db2.gz GYBWKSFBINTZQX-QVHKTLOISA-N 0 1 290.319 0.934 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000839772314 640362876 /nfs/dbraw/zinc/36/28/76/640362876.db2.gz BTLPNCBRLYYTJO-GMNPVEAJSA-N 0 1 264.281 0.890 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@]2(CCOC2)C1 ZINC000839788312 640365584 /nfs/dbraw/zinc/36/55/84/640365584.db2.gz FQSOODGESVEEPK-FOGDFJRCSA-N 0 1 254.286 0.681 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H](C2CCC2)C1 ZINC000839809558 640435966 /nfs/dbraw/zinc/43/59/66/640435966.db2.gz ZFFJZDOWLXOUQI-MXWKQRLJSA-N 0 1 254.286 0.679 20 5 CCBDMN Cn1ncc(CNCCn2cc([N+](=O)[O-])cn2)c1Cl ZINC000815129605 641094472 /nfs/dbraw/zinc/09/44/72/641094472.db2.gz TVOUMSIVYQTDMH-UHFFFAOYSA-N 0 1 284.707 0.968 20 5 CCBDMN O=C(N[C@H]1CCOC2(CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000819800135 641433512 /nfs/dbraw/zinc/43/35/12/641433512.db2.gz QIZQISXFSIVPMY-HBNTYKKESA-N 0 1 284.312 0.496 20 5 CCBDMN O=C(NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000834366643 642556872 /nfs/dbraw/zinc/55/68/72/642556872.db2.gz LWYNUKUGJFDEIS-DAWVFNFOSA-N 0 1 254.286 0.725 20 5 CCBDMN O=C(NCCn1ccc(C(F)(F)F)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000834433084 642566499 /nfs/dbraw/zinc/56/64/99/642566499.db2.gz OTIZTHKMNCQFDN-RNFRBKRXSA-N 0 1 292.217 0.683 20 5 CCBDMN O=C(O[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671212 642784568 /nfs/dbraw/zinc/78/45/68/642784568.db2.gz PUUFBRLKANVEFI-QYNIQEEDSA-N 0 1 296.201 0.358 20 5 CCBDMN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672621 642785306 /nfs/dbraw/zinc/78/53/06/642785306.db2.gz NDTSALIJGLAHIT-GWOFURMSSA-N 0 1 284.312 0.984 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@]2(CCSC2)C1 ZINC000843629104 643100120 /nfs/dbraw/zinc/10/01/20/643100120.db2.gz NRZZQKLXCRGCAB-FXPVBKGRSA-N 0 1 272.326 0.386 20 5 CCBDMN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000105855510 643304272 /nfs/dbraw/zinc/30/42/72/643304272.db2.gz LPFBAUITESJXHN-SKDRFNHKSA-N 0 1 281.312 0.695 20 5 CCBDMN COC(=O)c1nc[nH]c1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000847028276 643481244 /nfs/dbraw/zinc/48/12/44/643481244.db2.gz RQDJOWOSKPDLMA-UHFFFAOYSA-N 0 1 284.272 0.970 20 5 CCBDMN Cc1ccc(C(N)=O)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000847242348 643495646 /nfs/dbraw/zinc/49/56/46/643495646.db2.gz VTZPPBMJHMBRJD-PSASIEDQSA-N 0 1 263.253 0.698 20 5 CCBDMN Nc1ccc(N2CCN(CCCCO)CC2)nc1[N+](=O)[O-] ZINC000853373159 644102751 /nfs/dbraw/zinc/10/27/51/644102751.db2.gz NOTKKBQPPYNXHG-UHFFFAOYSA-N 0 1 295.343 0.467 20 5 CCBDMN Nc1ccc(NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000858868769 644655523 /nfs/dbraw/zinc/65/55/23/644655523.db2.gz QBFAVKGPCWKTDX-JTQLQIEISA-N 0 1 266.301 0.656 20 5 CCBDMN O=C(O[C@@H]1CCCC2(C1)OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000870631014 646013494 /nfs/dbraw/zinc/01/34/94/646013494.db2.gz XUVUFVYUYRKQCB-OPRDCNLKSA-N 0 1 271.269 0.881 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000870786137 646024598 /nfs/dbraw/zinc/02/45/98/646024598.db2.gz UZISFJNLKQNUGY-LXGUWJNJSA-N 0 1 282.218 0.281 20 5 CCBDMN C[C@@](CO)(Cc1ccc(F)cc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000870950386 646059082 /nfs/dbraw/zinc/05/90/82/646059082.db2.gz DGMLQYFBDSEBSZ-BZPMIXESSA-N 0 1 296.298 0.901 20 5 CCBDMN Cn1cc(CN2CCC3(CC2)OCCO3)c([N+](=O)[O-])n1 ZINC000876560738 646625133 /nfs/dbraw/zinc/62/51/33/646625133.db2.gz KVBKXSCDFGEJIS-UHFFFAOYSA-N 0 1 282.300 0.667 20 5 CCBDMN Cc1ccc(CNC(=O)[C@]2(C)CNCCO2)cc1[N+](=O)[O-] ZINC000877240890 646763503 /nfs/dbraw/zinc/76/35/03/646763503.db2.gz JYVROKTUDLSESS-AWEZNQCLSA-N 0 1 293.323 0.898 20 5 CCBDMN Cn1cc(CN2CC[C@@H](C(C)(C)O)C2)c([N+](=O)[O-])n1 ZINC000877836936 646847253 /nfs/dbraw/zinc/84/72/53/646847253.db2.gz QPEOVIPWGMKNLE-SNVBAGLBSA-N 0 1 268.317 0.921 20 5 CCBDMN O=C(NC[C@H]1CC[C@H](C(F)(F)F)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000927570091 648570718 /nfs/dbraw/zinc/57/07/18/648570718.db2.gz SIHWXWHRQGCDKY-WCTZXXKLSA-N 0 1 282.218 0.878 20 5 CCBDMN C[C@@H](O)[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000929154897 648707896 /nfs/dbraw/zinc/70/78/96/648707896.db2.gz ULGAUPSJYFQPHS-BXUZGUMPSA-N 0 1 295.339 0.459 20 5 CCBDMN O=[N+]([O-])c1ccc(NCCc2nc[nH]n2)c2nonc21 ZINC000080590154 649557211 /nfs/dbraw/zinc/55/72/11/649557211.db2.gz ZRUABIPWZAHPMJ-UHFFFAOYSA-N 0 1 275.228 0.904 20 5 CCBDMN Cc1nc(N2C[C@H]3OCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000153163686 719371634 /nfs/dbraw/zinc/37/16/34/719371634.db2.gz MYXQBVRXUZEICN-VXGBXAGGSA-N 0 1 278.312 0.817 20 5 CCBDMN Cc1ccnc(N2C[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000301663903 719380190 /nfs/dbraw/zinc/38/01/90/719380190.db2.gz NNAGHIUDIABIBD-QWRGUYRKSA-N 0 1 278.312 0.817 20 5 CCBDMN CN1CCO[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]21 ZINC001164669864 719401135 /nfs/dbraw/zinc/40/11/35/719401135.db2.gz VUQIWOYCVLRQRQ-MNOVXSKESA-N 0 1 279.300 0.091 20 5 CCBDMN COc1nc(N[C@H]2CCN(C)C2)nc(C)c1[N+](=O)[O-] ZINC001167270006 790767165 /nfs/dbraw/zinc/76/71/65/790767165.db2.gz IMEJOORHXFIAJX-QMMMGPOBSA-N 0 1 267.289 0.818 20 5 CCBDMN CCN1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001120792046 798937755 /nfs/dbraw/zinc/93/77/55/798937755.db2.gz LKXSPBFVKYLUEY-UHFFFAOYSA-N 0 1 251.290 0.714 20 5 CCBDMN CC(=O)N1CCC[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001122722936 799290097 /nfs/dbraw/zinc/29/00/97/799290097.db2.gz GABANOOAPLJUFA-GMTAPVOTSA-N 0 1 270.285 0.453 20 5 CCBDMN CC[C@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC001143367970 800234108 /nfs/dbraw/zinc/23/41/08/800234108.db2.gz FOBYSSRDIPCYOS-JTQLQIEISA-N 0 1 270.245 0.389 20 5 CCBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001152994384 800578188 /nfs/dbraw/zinc/57/81/88/800578188.db2.gz PEXYZYROFBKGET-SECBINFHSA-N 0 1 288.267 0.738 20 5 CCBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H](c2nc[nH]n2)C1 ZINC001153863559 800680431 /nfs/dbraw/zinc/68/04/31/800680431.db2.gz OGZFDUYJMCAKCI-ZETCQYMHSA-N 0 1 291.271 0.456 20 5 CCBDMN Cc1nc([C@@H](C)NC(=O)Cn2c(C)ncc2[N+](=O)[O-])n[nH]1 ZINC001157044678 801291915 /nfs/dbraw/zinc/29/19/15/801291915.db2.gz CFJCBTPONOJPTL-ZCFIWIBFSA-N 0 1 293.287 0.404 20 5 CCBDMN NCc1nnnn1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001158080281 801566312 /nfs/dbraw/zinc/56/63/12/801566312.db2.gz JVCCHULISHLQPT-UHFFFAOYSA-N 0 1 298.266 0.486 20 5 CCBDMN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NC[C@@H]2COCCN2)c1 ZINC001159044561 801749548 /nfs/dbraw/zinc/74/95/48/801749548.db2.gz YAKZTQSXPJIIFR-SSDOTTSWSA-N 0 1 288.691 0.282 20 5 CCBDMN NCc1nc2cnccc2n1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001162214881 802290276 /nfs/dbraw/zinc/29/02/76/802290276.db2.gz LOYOAGLGRCEXEI-UHFFFAOYSA-N 0 1 286.251 0.421 20 5 CCBDMN Cc1nnc(CN)n1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001163346654 802539479 /nfs/dbraw/zinc/53/94/79/802539479.db2.gz SBOBISCMCUAQQE-UHFFFAOYSA-N 0 1 268.664 0.991 20 5 CCBDMN CCc1nnc(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC001205967899 803193264 /nfs/dbraw/zinc/19/32/64/803193264.db2.gz RMGHDVIALKARKJ-UHFFFAOYSA-N 0 1 291.315 0.965 20 5 CCBDMN CN1CCN(CCO[C@H](C[N+](=O)[O-])c2cccnc2)CC1 ZINC001224548376 805050549 /nfs/dbraw/zinc/05/05/49/805050549.db2.gz BAEMNPRWLVMYAD-CQSZACIVSA-N 0 1 294.355 0.663 20 5 CCBDMN C[N@H+]1[C@@H]2C[C@@H](Oc3[n-]c(=O)ncc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226333127 805220020 /nfs/dbraw/zinc/22/00/20/805220020.db2.gz YCXJYKZHMPDZIU-SKWCMTHISA-N 0 1 294.267 0.273 20 5 CCBDMN O=c1nc2ccc([N+](=O)[O-])cc2c(OC[C@H]2COCO2)[nH]1 ZINC001227095878 805322843 /nfs/dbraw/zinc/32/28/43/805322843.db2.gz MCILKYDCHAJCHM-MRVPVSSYSA-N 0 1 293.235 0.995 20 5 CCBDMN C=CC(=O)OC[C@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229380749 805527883 /nfs/dbraw/zinc/52/78/83/805527883.db2.gz KSWPNBMCFAEISK-LURJTMIESA-N 0 1 283.240 0.895 20 5 CCBDMN CCOC(=O)[C@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229375474 805527961 /nfs/dbraw/zinc/52/79/61/805527961.db2.gz FGVCHGZXTJTNGF-YFKPBYRVSA-N 0 1 271.229 0.729 20 5 CCBDMN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[C@@H](O)CN2)n1 ZINC001248174924 807506665 /nfs/dbraw/zinc/50/66/65/807506665.db2.gz FHSPRTZZOXODQB-RNFRBKRXSA-N 0 1 295.230 0.574 20 5 CCBDMN O=C(CN1Cc2ccc([N+](=O)[O-])cc2C1)N1CCNCC1 ZINC001261492372 808996582 /nfs/dbraw/zinc/99/65/82/808996582.db2.gz AQEDFDCFDMDUMV-UHFFFAOYSA-N 0 1 290.323 0.342 20 5 CCBDMN CCOC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001126102840 812010285 /nfs/dbraw/zinc/01/02/85/812010285.db2.gz TUNMYTIQKPYTCB-HLTSFMKQSA-N 0 1 256.258 0.110 20 5 CCBDMN Cc1nc([C@H](C)NC(=O)CCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC001117460383 818470980 /nfs/dbraw/zinc/47/09/80/818470980.db2.gz VADHFMIKQSZMNG-ZETCQYMHSA-N 0 1 293.287 0.485 20 5 CCBDMN Cc1nocc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001130357160 837777364 /nfs/dbraw/zinc/77/73/64/837777364.db2.gz UTCIFOWIGCHCNX-UHFFFAOYSA-N 0 1 251.202 0.877 20 5 CCBDMN Cc1cc(Cl)c(-n2nnnc2CN)c([N+](=O)[O-])c1 ZINC001168923931 836058394 /nfs/dbraw/zinc/05/83/94/836058394.db2.gz QYBNGRBIOKCFFT-UHFFFAOYSA-N 0 1 268.664 0.991 20 5 CCBDMN O=C1NC(=O)[C@H](N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)S1 ZINC001168961895 836085367 /nfs/dbraw/zinc/08/53/67/836085367.db2.gz LAOPFOOREDFXSY-SHYZEUOFSA-N 0 1 259.287 0.331 20 5 CCBDMN O=C1[N-]C(=O)[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)S1 ZINC001168961895 836085373 /nfs/dbraw/zinc/08/53/73/836085373.db2.gz LAOPFOOREDFXSY-SHYZEUOFSA-N 0 1 259.287 0.331 20 5 CCBDMN CC[C@@](N)(CO)Nc1nc([N+](=O)[O-])ccc1OC ZINC001170864837 839458118 /nfs/dbraw/zinc/45/81/18/839458118.db2.gz JEZGBXQWNCHGRQ-JTQLQIEISA-N 0 1 256.262 0.468 20 5 CCBDMN Cn1cc(C(C)(C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC001136823976 839778076 /nfs/dbraw/zinc/77/80/76/839778076.db2.gz UOJLNYOJPDYDRW-UHFFFAOYSA-N 0 1 278.272 0.717 20 5 CCBDMN CC(=O)NC1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001117476075 855994857 /nfs/dbraw/zinc/99/48/57/855994857.db2.gz VKGHXHDYHTYBHD-UHFFFAOYSA-N 0 1 295.299 0.495 20 5 CCBDMN O=C(NCC1=CCCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001323352067 912292582 /nfs/dbraw/zinc/29/25/82/912292582.db2.gz KZYATUBPPNBTRG-UHFFFAOYSA-N 0 1 252.230 0.394 20 5 CCBDMN O=c1oc(-c2ccccc2[N+](=O)[O-])nn1Cc1nnc[nH]1 ZINC001307340631 892109014 /nfs/dbraw/zinc/10/90/14/892109014.db2.gz YAOPCSKMIUGNDW-UHFFFAOYSA-N 0 1 288.223 0.578 20 5 CCBDMN COc1ncnc(N[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000094739197 897919483 /nfs/dbraw/zinc/91/94/83/897919483.db2.gz QLXVYZGDYBUPIO-ZETCQYMHSA-N 0 1 253.262 0.509 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)OCc2nnc[nH]2)c1[N+](=O)[O-] ZINC001327483378 914562643 /nfs/dbraw/zinc/56/26/43/914562643.db2.gz NXHLOVGTGHUKER-UHFFFAOYSA-N 0 1 280.244 0.916 20 5 CCBDMN Cc1cocc1C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296195883 906872875 /nfs/dbraw/zinc/87/28/75/906872875.db2.gz LRSZVHYAVQJPDW-MWLCHTKSSA-N 0 1 295.295 0.441 20 5 CCBDMN CC(C)(C)/C=C\C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001297020972 906997488 /nfs/dbraw/zinc/99/74/88/906997488.db2.gz BQWALGWNQBGBAB-WQMVXFAESA-N 0 1 295.339 0.581 20 5 CCBDMN O=C(NCC1(CF)CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001298049054 907148949 /nfs/dbraw/zinc/14/89/49/907148949.db2.gz SECAKSOJHZUICT-UHFFFAOYSA-N 0 1 286.263 0.814 20 5 CCBDMN C[C@@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)O1 ZINC001302413011 908021156 /nfs/dbraw/zinc/02/11/56/908021156.db2.gz OWWBKRPOHHMXEB-QYNIQEEDSA-N 0 1 254.246 0.614 20 5 CCBDMN O=C(N[C@@H](CO)c1cc(F)ccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001305534702 908209991 /nfs/dbraw/zinc/20/99/91/908209991.db2.gz NIURBUUBZCMSSV-DVVUODLYSA-N 0 1 286.234 0.780 20 5 CCBDMN Cn1cc(CN2C[C@@H]3[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC001308072190 908372998 /nfs/dbraw/zinc/37/29/98/908372998.db2.gz PGKZCYQXNUCUCZ-DVVUODLYSA-N 0 1 266.301 0.531 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1Cc1nc([C@@H]2CCCN2)no1 ZINC001329415977 915893119 /nfs/dbraw/zinc/89/31/19/915893119.db2.gz YTTGRISBZLOXNC-QMMMGPOBSA-N 0 1 278.272 0.956 20 5 CCBDMN C[N@H+]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H](C(=O)[O-])C1 ZINC001329578925 916029850 /nfs/dbraw/zinc/02/98/50/916029850.db2.gz IVDUWGDTRDPUFY-VIFPVBQESA-N 0 1 280.284 0.442 20 5 CCBDMN NC(=O)[C@H](CNCC[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001336739188 920968518 /nfs/dbraw/zinc/96/85/18/920968518.db2.gz LOSHGAXALZXLSB-JTQLQIEISA-N 0 1 269.276 0.336 20 5 CCBDMN CC(C)CNC(=O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001342016180 922764519 /nfs/dbraw/zinc/76/45/19/922764519.db2.gz AEMSAWSXDXUSIF-UHFFFAOYSA-N 0 1 295.295 0.802 20 5 CCBDMN CC/C(C)=C/C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001348220689 924622426 /nfs/dbraw/zinc/62/24/26/924622426.db2.gz LAUIYJHUANIHHM-BXAYLQTHSA-N 0 1 295.339 0.679 20 5 CCBDMN CC1(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC=CC1 ZINC001348934441 924846367 /nfs/dbraw/zinc/84/63/67/924846367.db2.gz HXBBHIISNOIBDK-NXEZZACHSA-N 0 1 281.312 0.240 20 5 CCBDMN Cn1cnnc1[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001447207405 930588626 /nfs/dbraw/zinc/58/86/26/930588626.db2.gz COCUATDGJIFBLG-IWSPIJDZSA-N 0 1 265.273 0.144 20 5 CCBDMN COCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(=O)[O-] ZINC000049607628 948913128 /nfs/dbraw/zinc/91/31/28/948913128.db2.gz KGXMIJXJQISOFQ-UHFFFAOYSA-N 0 1 286.288 0.133 20 5 CCBDMN CO[C@]1(C(=O)[O-])CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001599078415 996934678 /nfs/dbraw/zinc/93/46/78/996934678.db2.gz DORJPAXAYLBANM-LLVKDONJSA-N 0 1 284.272 0.004 20 5 CCBDMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001599078415 996934689 /nfs/dbraw/zinc/93/46/89/996934689.db2.gz DORJPAXAYLBANM-LLVKDONJSA-N 0 1 284.272 0.004 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC(C)(CO)CC2)c1[N+](=O)[O-] ZINC000273893184 192352848 /nfs/dbraw/zinc/35/28/48/192352848.db2.gz VVLIMEQXVWTEJE-UHFFFAOYSA-N 0 1 282.300 0.861 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1[N+](=O)[O-] ZINC000600793730 362060649 /nfs/dbraw/zinc/06/06/49/362060649.db2.gz NQAFOVBNFQEVCM-VAOFZXAKSA-N 0 1 280.284 0.612 20 5 CCBDMN O=C(NCCN1CC[C@H](O)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000600808819 362065429 /nfs/dbraw/zinc/06/54/29/362065429.db2.gz SCORXDOMUFANQI-JTQLQIEISA-N 0 1 297.286 0.530 20 5 CCBDMN CCc1nc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n[nH]1 ZINC000452180396 529739549 /nfs/dbraw/zinc/73/95/49/529739549.db2.gz BZSJKQXQZWMJJS-UHFFFAOYSA-N 0 1 292.255 0.306 20 5 CCBDMN Cc1noc(CN2C[C@@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000601971348 362444751 /nfs/dbraw/zinc/44/47/51/362444751.db2.gz BHISHAOWKATMPH-DTORHVGOSA-N 0 1 253.258 0.969 20 5 CCBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1COCCN1 ZINC000602549101 362673558 /nfs/dbraw/zinc/67/35/58/362673558.db2.gz BTWDWCUMVTYZAH-GFCCVEGCSA-N 0 1 293.323 0.632 20 5 CCBDMN CC[C@@H]1[C@@H](CO)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602679183 362745064 /nfs/dbraw/zinc/74/50/64/362745064.db2.gz OZGAXJLLTMGQIR-MWLCHTKSSA-N 0 1 268.317 0.921 20 5 CCBDMN C[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1CO ZINC000602713482 362764612 /nfs/dbraw/zinc/76/46/12/362764612.db2.gz BZDZYKPDCGJHJM-MWLCHTKSSA-N 0 1 268.317 0.779 20 5 CCBDMN CO[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1OC ZINC000602824806 362820720 /nfs/dbraw/zinc/82/07/20/362820720.db2.gz HROMDBCXODQQEM-PHIMTYICSA-N 0 1 284.316 0.445 20 5 CCBDMN COC[C@H]1C[C@@H](O)CN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602865008 362848982 /nfs/dbraw/zinc/84/89/82/362848982.db2.gz MHIYFWFMNJDVRR-GHMZBOCLSA-N 0 1 284.316 0.181 20 5 CCBDMN O=C([O-])[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000262284788 137034988 /nfs/dbraw/zinc/03/49/88/137034988.db2.gz LZNQFWXBFNQYKZ-SNVBAGLBSA-N 0 1 268.273 0.730 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CC(CCO)C2)c1[N+](=O)[O-] ZINC000343023617 137110390 /nfs/dbraw/zinc/11/03/90/137110390.db2.gz BXWKABVNQZDNPP-UHFFFAOYSA-N 0 1 282.300 0.725 20 5 CCBDMN O=C(NCCCOC1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000343301704 137125795 /nfs/dbraw/zinc/12/57/95/137125795.db2.gz PCYXCGPXRDZNNI-UHFFFAOYSA-N 0 1 298.299 0.633 20 5 CCBDMN O=C(NCc1nccn1C(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000343368084 137131448 /nfs/dbraw/zinc/13/14/48/137131448.db2.gz WSOVWKXEJXJZBN-UHFFFAOYSA-N 0 1 286.198 0.840 20 5 CCBDMN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1nnc[nH]1 ZINC000344938319 137222607 /nfs/dbraw/zinc/22/26/07/137222607.db2.gz WDHHXGLXKOAKAF-UHFFFAOYSA-N 0 1 297.296 0.729 20 5 CCBDMN Cc1csc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000038091205 348226369 /nfs/dbraw/zinc/22/63/69/348226369.db2.gz LDOWLPCVHSRODF-SNVBAGLBSA-N 0 1 297.340 0.707 20 5 CCBDMN COc1cc(CN2CCN(C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000602904708 362878744 /nfs/dbraw/zinc/87/87/44/362878744.db2.gz KOAPZGWAVOVZSY-GFCCVEGCSA-N 0 1 295.339 0.712 20 5 CCBDMN CCOC(=O)c1ccnc(NCc2nnc[nH]2)c1[N+](=O)[O-] ZINC000348175595 137375833 /nfs/dbraw/zinc/37/58/33/137375833.db2.gz OWTWTRCLTFGILP-UHFFFAOYSA-N 0 1 292.255 0.897 20 5 CCBDMN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000067717838 348782484 /nfs/dbraw/zinc/78/24/84/348782484.db2.gz VJYWMONYOKCYSK-UHFFFAOYSA-N 0 1 299.352 0.967 20 5 CCBDMN CCCN1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000068467763 348811427 /nfs/dbraw/zinc/81/14/27/348811427.db2.gz DRCHURYNANLSMF-UHFFFAOYSA-N 0 1 295.343 0.654 20 5 CCBDMN COCCN1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000080948427 349234851 /nfs/dbraw/zinc/23/48/51/349234851.db2.gz BJOUEBLIKQJJBG-UHFFFAOYSA-N 0 1 296.331 0.126 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1NCCc1nc[nH]n1 ZINC000091555140 180190515 /nfs/dbraw/zinc/19/05/15/180190515.db2.gz DDHTXYMJHPCQRO-UHFFFAOYSA-N 0 1 265.277 0.892 20 5 CCBDMN CCc1nc(Cn2cc([N+](=O)[O-])cc(C)c2=O)n[nH]1 ZINC000131089939 350261716 /nfs/dbraw/zinc/26/17/16/350261716.db2.gz PWRUILRVTRFLEZ-UHFFFAOYSA-N 0 1 263.257 0.794 20 5 CCBDMN Cc1cc(NCCN2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000092026807 180308685 /nfs/dbraw/zinc/30/86/85/180308685.db2.gz ZKGOWXOVOOUJDH-UHFFFAOYSA-N 0 1 279.344 0.958 20 5 CCBDMN NC(=O)NC(=O)CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153176293 350555047 /nfs/dbraw/zinc/55/50/47/350555047.db2.gz HTWJECDWAPGSDS-UHFFFAOYSA-N 0 1 292.295 0.538 20 5 CCBDMN O=C(NCCOC[C@H]1CCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000159636688 350684284 /nfs/dbraw/zinc/68/42/84/350684284.db2.gz JHNJYLOYIIVKTR-MRVPVSSYSA-N 0 1 284.272 0.243 20 5 CCBDMN CCNC(=O)C(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000162620755 350748444 /nfs/dbraw/zinc/74/84/44/350748444.db2.gz GBVHFAKILDDVJM-UHFFFAOYSA-N 0 1 283.288 0.210 20 5 CCBDMN CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000175315850 351125514 /nfs/dbraw/zinc/12/55/14/351125514.db2.gz VSYJATCJBUISCW-VIFPVBQESA-N 0 1 294.311 0.767 20 5 CCBDMN CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000175315850 351125515 /nfs/dbraw/zinc/12/55/15/351125515.db2.gz VSYJATCJBUISCW-VIFPVBQESA-N 0 1 294.311 0.767 20 5 CCBDMN C[C@]1(O)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000177974376 351217234 /nfs/dbraw/zinc/21/72/34/351217234.db2.gz IFBSBCDCTUJEAR-ZDUSSCGKSA-N 0 1 279.296 0.650 20 5 CCBDMN NC(=O)C1(NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000183817234 351393155 /nfs/dbraw/zinc/39/31/55/351393155.db2.gz OABPYOVSPLSQOE-UHFFFAOYSA-N 0 1 265.269 0.581 20 5 CCBDMN CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000185733605 351456507 /nfs/dbraw/zinc/45/65/07/351456507.db2.gz XJJSMJIJJUUPKM-SNVBAGLBSA-N 0 1 294.311 0.862 20 5 CCBDMN CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000185733605 351456511 /nfs/dbraw/zinc/45/65/11/351456511.db2.gz XJJSMJIJJUUPKM-SNVBAGLBSA-N 0 1 294.311 0.862 20 5 CCBDMN CN(CC[NH+](C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193665575 351840336 /nfs/dbraw/zinc/84/03/36/351840336.db2.gz URSKXLLXRMUZOG-UHFFFAOYSA-N 0 1 268.273 0.329 20 5 CCBDMN Cc1ccnc(NC[C@H]2COCCN2)c1[N+](=O)[O-] ZINC000235937786 352190040 /nfs/dbraw/zinc/19/00/40/352190040.db2.gz MJMJBYPLPONYOI-VIFPVBQESA-N 0 1 252.274 0.699 20 5 CCBDMN CCOC(=O)CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269191564 352830172 /nfs/dbraw/zinc/83/01/72/352830172.db2.gz OLRPADTVABUQHT-UHFFFAOYSA-N 0 1 282.252 0.936 20 5 CCBDMN COC[C@H](O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272697113 353085795 /nfs/dbraw/zinc/08/57/95/353085795.db2.gz SECSIMGXIPWSEO-SNVBAGLBSA-N 0 1 270.241 0.038 20 5 CCBDMN COC(=O)[C@@H](C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274873547 353168782 /nfs/dbraw/zinc/16/87/82/353168782.db2.gz MYTIESXZIYEUEB-ZETCQYMHSA-N 0 1 282.252 0.839 20 5 CCBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCCN1C1CC1 ZINC000279920186 353324768 /nfs/dbraw/zinc/32/47/68/353324768.db2.gz QENWBDNYEVXJPK-GFCCVEGCSA-N 0 1 293.327 0.534 20 5 CCBDMN COCCN(CCOC)CCn1cc([N+](=O)[O-])cn1 ZINC000157442848 188317766 /nfs/dbraw/zinc/31/77/66/188317766.db2.gz YDZPQOXGIOWVKE-UHFFFAOYSA-N 0 1 272.305 0.386 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C[C@H](C)OC)c1[N+](=O)[O-] ZINC000286692842 353604161 /nfs/dbraw/zinc/60/41/61/353604161.db2.gz ZDMPGFBUEPFEBQ-ZETCQYMHSA-N 0 1 270.289 0.987 20 5 CCBDMN Cc1nc(N2CCN(C[C@@H](C)O)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000297265995 353960476 /nfs/dbraw/zinc/96/04/76/353960476.db2.gz WKKHNXROHDCPMD-NXEZZACHSA-N 0 1 295.343 0.585 20 5 CCBDMN COC(=O)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000299540871 354025411 /nfs/dbraw/zinc/02/54/11/354025411.db2.gz OMDMKQFCARNDTF-ZETCQYMHSA-N 0 1 282.256 0.261 20 5 CCBDMN CC[C@@]1(C)COCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330541699 354401966 /nfs/dbraw/zinc/40/19/66/354401966.db2.gz YGEUFRHYWARXBL-STQMWFEESA-N 0 1 298.343 0.653 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCC(=O)NC1(C)C ZINC000338598421 355375830 /nfs/dbraw/zinc/37/58/30/355375830.db2.gz LNNWOSLWNAQPEV-SECBINFHSA-N 0 1 281.316 0.475 20 5 CCBDMN Cn1cc([C@H](CO)NCc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000339085524 355484808 /nfs/dbraw/zinc/48/48/08/355484808.db2.gz ODUCUFSYFFCJEX-LBPRGKRZSA-N 0 1 292.295 0.857 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C)CC[C@H]2C)n1 ZINC000427834630 235382424 /nfs/dbraw/zinc/38/24/24/235382424.db2.gz TYAINAZPXZGJCD-SNVBAGLBSA-N 0 1 295.343 0.977 20 5 CCBDMN Cc1cnc(Nc2ccn(CC(N)=O)n2)c([N+](=O)[O-])c1 ZINC000361273537 138026937 /nfs/dbraw/zinc/02/69/37/138026937.db2.gz TWPVBDYYKXISHQ-UHFFFAOYSA-N 0 1 276.256 0.146 20 5 CCBDMN O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000363213204 138088031 /nfs/dbraw/zinc/08/80/31/138088031.db2.gz LXOLMTPCBKUUFD-GMTAPVOTSA-N 0 1 291.311 0.227 20 5 CCBDMN CC(C)(NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000354769127 356493970 /nfs/dbraw/zinc/49/39/70/356493970.db2.gz ZMSUFOGSSMXPOE-UHFFFAOYSA-N 0 1 294.246 0.912 20 5 CCBDMN CN1CCC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000608839536 363467211 /nfs/dbraw/zinc/46/72/11/363467211.db2.gz DIXQVJNYTNSUQC-SNVBAGLBSA-N 0 1 295.343 0.737 20 5 CCBDMN Cn1c(C(=O)NC2(c3nnc[nH]3)CCC2)ccc1[N+](=O)[O-] ZINC000619543805 366277499 /nfs/dbraw/zinc/27/74/99/366277499.db2.gz ORWCYNXFGUEZAI-UHFFFAOYSA-N 0 1 290.283 0.861 20 5 CCBDMN C[C@H](Cn1cccn1)NCc1c([N+](=O)[O-])ncn1C ZINC000355936446 356671992 /nfs/dbraw/zinc/67/19/92/356671992.db2.gz IUIDFAONMYEZQE-SECBINFHSA-N 0 1 264.289 0.703 20 5 CCBDMN COC[C@H](O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619798677 366355795 /nfs/dbraw/zinc/35/57/95/366355795.db2.gz RYJQGHWHLSUXHE-SNVBAGLBSA-N 0 1 298.295 0.463 20 5 CCBDMN O=C(NCCc1nc[nH]n1)c1csc([N+](=O)[O-])c1 ZINC000359751829 356884549 /nfs/dbraw/zinc/88/45/49/356884549.db2.gz CAECYNXIYJDUPG-UHFFFAOYSA-N 0 1 267.270 0.747 20 5 CCBDMN Cn1ccnc1[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000376426320 357466878 /nfs/dbraw/zinc/46/68/78/357466878.db2.gz GZKLPQIYYFYNRC-GMTAPVOTSA-N 0 1 278.312 0.791 20 5 CCBDMN O=C(NC[C@@H]1CCCCN1CCO)c1ccc([N+](=O)[O-])[nH]1 ZINC000452802112 236261588 /nfs/dbraw/zinc/26/15/88/236261588.db2.gz USPFTEALARAXCH-JTQLQIEISA-N 0 1 296.327 0.500 20 5 CCBDMN O=C(NC[C@@H]1CCCCN1CCO)c1ccc([N+](=O)[O-])o1 ZINC000452796173 236261822 /nfs/dbraw/zinc/26/18/22/236261822.db2.gz KKFMXKKHXUWEGU-JTQLQIEISA-N 0 1 297.311 0.764 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](O)CC2)c1[N+](=O)[O-] ZINC000294853752 199214333 /nfs/dbraw/zinc/21/43/33/199214333.db2.gz NQAAJXADQKWZTJ-QMMMGPOBSA-N 0 1 282.300 0.867 20 5 CCBDMN C[C@H]1COCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000610990623 363642411 /nfs/dbraw/zinc/64/24/11/363642411.db2.gz DFAYIXDJVGTBAE-JTQLQIEISA-N 0 1 254.290 0.902 20 5 CCBDMN C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590446500 359469397 /nfs/dbraw/zinc/46/93/97/359469397.db2.gz UDSZXZUMYVPTGO-GZMMTYOYSA-N 0 1 292.295 0.472 20 5 CCBDMN C[N@H+]1C[C@@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590446500 359469400 /nfs/dbraw/zinc/46/94/00/359469400.db2.gz UDSZXZUMYVPTGO-GZMMTYOYSA-N 0 1 292.295 0.472 20 5 CCBDMN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[NH2+]1 ZINC000592247743 359805629 /nfs/dbraw/zinc/80/56/29/359805629.db2.gz SVFDTTUOKPCLCQ-LLVKDONJSA-N 0 1 294.311 0.765 20 5 CCBDMN O=C(NC[C@@H]1CCCC[NH2+]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592293298 359812599 /nfs/dbraw/zinc/81/25/99/359812599.db2.gz ZVHRVMMUXKOMRF-QMMMGPOBSA-N 0 1 280.284 0.567 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCc2cn[nH]c2C1 ZINC000611185548 363674714 /nfs/dbraw/zinc/67/47/14/363674714.db2.gz IXXYZXCFGBPTHV-UHFFFAOYSA-N 0 1 289.295 0.538 20 5 CCBDMN CCCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592828154 359946928 /nfs/dbraw/zinc/94/69/28/359946928.db2.gz DMDHAFBKJFONTI-VIFPVBQESA-N 0 1 281.316 0.874 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H](O)[C@H](CO)C1 ZINC000593037342 360019299 /nfs/dbraw/zinc/01/92/99/360019299.db2.gz XARVBEFXHRFKHP-GXFFZTMASA-N 0 1 282.296 0.476 20 5 CCBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCc1nc[nH]n1 ZINC000593488268 360097604 /nfs/dbraw/zinc/09/76/04/360097604.db2.gz GLYOXTUJNNSWET-UHFFFAOYSA-N 0 1 293.258 0.753 20 5 CCBDMN C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C(=O)[O-])C1 ZINC000593748744 360147920 /nfs/dbraw/zinc/14/79/20/360147920.db2.gz RLEVHPRLJCGIFO-MWLCHTKSSA-N 0 1 282.300 0.976 20 5 CCBDMN C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)N(C)C ZINC000593609460 360119913 /nfs/dbraw/zinc/11/99/13/360119913.db2.gz QEDQJHFYVTYCTO-QMMMGPOBSA-N 0 1 288.329 0.218 20 5 CCBDMN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000176746362 189007015 /nfs/dbraw/zinc/00/70/15/189007015.db2.gz JUOIQTHBAKTXFV-QMMMGPOBSA-N 0 1 291.267 0.969 20 5 CCBDMN CC(C)[C@H](O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761515 360378071 /nfs/dbraw/zinc/37/80/71/360378071.db2.gz YXZBIGVZMVUOLK-SECBINFHSA-N 0 1 289.313 0.285 20 5 CCBDMN CCOC[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772217 360380525 /nfs/dbraw/zinc/38/05/25/360380525.db2.gz VYOBOLDIQBEKCY-QMMMGPOBSA-N 0 1 289.313 0.693 20 5 CCBDMN CCN1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596047903 360781215 /nfs/dbraw/zinc/78/12/15/360781215.db2.gz CGXMOKJCLGOCKB-UHFFFAOYSA-N 0 1 278.312 0.836 20 5 CCBDMN O=c1[nH]ccc(NCCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000596216824 360838887 /nfs/dbraw/zinc/83/88/87/360838887.db2.gz SYVPBTDSJDMSBG-UHFFFAOYSA-N 0 1 264.245 0.858 20 5 CCBDMN C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)N1CCO ZINC000596257316 360855168 /nfs/dbraw/zinc/85/51/68/360855168.db2.gz JDXXNRBGFBAJFH-AOOOYVTPSA-N 0 1 295.343 0.463 20 5 CCBDMN C[C@@H](O)C1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000598385712 361401647 /nfs/dbraw/zinc/40/16/47/361401647.db2.gz WSOVFNAVQHMBCW-SSDOTTSWSA-N 0 1 266.253 0.944 20 5 CCBDMN COC(=O)c1ccnc(N(C)Cc2nnc[nH]2)c1[N+](=O)[O-] ZINC000598597202 361454979 /nfs/dbraw/zinc/45/49/79/361454979.db2.gz PHTOGYYYXXRAGJ-UHFFFAOYSA-N 0 1 292.255 0.531 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000598786148 361516283 /nfs/dbraw/zinc/51/62/83/361516283.db2.gz RQRHFUPEXXPDKM-BDAKNGLRSA-N 0 1 296.327 0.971 20 5 CCBDMN Nc1c(F)c(NCCN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599200160 361608880 /nfs/dbraw/zinc/60/88/80/361608880.db2.gz YQDUIPGQNPIZPW-QMMMGPOBSA-N 0 1 284.291 0.795 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC2(C)CC2)n1 ZINC000599292980 361638667 /nfs/dbraw/zinc/63/86/67/361638667.db2.gz MKXGHCYMDMAZNT-UHFFFAOYSA-N 0 1 288.329 0.797 20 5 CCBDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000330601339 203023730 /nfs/dbraw/zinc/02/37/30/203023730.db2.gz VRZBJCHADTUKDO-WDEREUQCSA-N 0 1 295.343 0.732 20 5 CCBDMN NC(=O)[C@@]1(O)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000276467382 193342699 /nfs/dbraw/zinc/34/26/99/193342699.db2.gz PQXAQOUHESSMHR-GFCCVEGCSA-N 0 1 265.269 0.017 20 5 CCBDMN [NH3+]CC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000567837313 291523386 /nfs/dbraw/zinc/52/33/86/291523386.db2.gz VLEFPQLXDHAYME-VIFPVBQESA-N 0 1 294.311 0.896 20 5 CCBDMN Cc1c(NC(=O)C(=O)N2CCNCC2)cccc1[N+](=O)[O-] ZINC000415281202 249010313 /nfs/dbraw/zinc/01/03/13/249010313.db2.gz IBFKJEXPSWNIFF-UHFFFAOYSA-N 0 1 292.295 0.274 20 5 CCBDMN [NH3+]CCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000516060737 249149754 /nfs/dbraw/zinc/14/97/54/249149754.db2.gz DSDMOOMUQXELKN-UHFFFAOYSA-N 0 1 254.246 0.164 20 5 CCBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[NH+]1CCCC1 ZINC000518037660 249238454 /nfs/dbraw/zinc/23/84/54/249238454.db2.gz GWHAGTVCYANQSU-SECBINFHSA-N 0 1 294.311 0.910 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC(=O)OC)C2CC2)c1[N+](=O)[O-] ZINC000278581150 194054433 /nfs/dbraw/zinc/05/44/33/194054433.db2.gz LMGSOJNPQAOGDX-UHFFFAOYSA-N 0 1 296.283 0.658 20 5 CCBDMN COC(=O)[C@@H](CF)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000288407795 197069540 /nfs/dbraw/zinc/06/95/40/197069540.db2.gz SXHNKWZMUQPAMM-SECBINFHSA-N 0 1 286.215 0.541 20 5 CCBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCO)c1 ZINC000281085574 195097994 /nfs/dbraw/zinc/09/79/94/195097994.db2.gz CIQQFEMTLMJBOB-UHFFFAOYSA-N 0 1 298.679 0.658 20 5 CCBDMN O=[N+]([O-])c1cccnc1N1CCN(C[C@H]2C[C@@H](O)C2)CC1 ZINC000420982352 285166020 /nfs/dbraw/zinc/16/60/20/285166020.db2.gz ZSSHHCMOCPEHLG-TXEJJXNPSA-N 0 1 292.339 0.883 20 5 CCBDMN COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338982976 291941826 /nfs/dbraw/zinc/94/18/26/291941826.db2.gz NUFBKUVSHBZLIB-CMPLNLGQSA-N 0 1 296.279 0.409 20 5 CCBDMN CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000286052387 388830244 /nfs/dbraw/zinc/83/02/44/388830244.db2.gz RDQFNEZIGINXRB-VXGBXAGGSA-N 0 1 282.296 0.665 20 5 CCBDMN C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000194721090 389102583 /nfs/dbraw/zinc/10/25/83/389102583.db2.gz ALLLSOBTFPVBSM-MRVPVSSYSA-N 0 1 280.284 0.519 20 5 CCBDMN C[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000194721090 389102587 /nfs/dbraw/zinc/10/25/87/389102587.db2.gz ALLLSOBTFPVBSM-MRVPVSSYSA-N 0 1 280.284 0.519 20 5 CCBDMN C[C@@H]1[C@H](C)N(C)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000356794768 389128334 /nfs/dbraw/zinc/12/83/34/389128334.db2.gz NLSMQJHNUOVDRA-JGVFFNPUSA-N 0 1 266.305 0.326 20 5 CCBDMN Cc1sc(C(=O)Nc2nn[nH]n2)cc1[N+](=O)[O-] ZINC000342860694 389254289 /nfs/dbraw/zinc/25/42/89/389254289.db2.gz SOVSXJVLHUQAKR-UHFFFAOYSA-N 0 1 254.231 0.730 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000331519463 389307368 /nfs/dbraw/zinc/30/73/68/389307368.db2.gz KDOYTVNREXMCDQ-MRVPVSSYSA-N 0 1 290.283 0.859 20 5 CCBDMN COCCC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000159742188 389373092 /nfs/dbraw/zinc/37/30/92/389373092.db2.gz MWJBDHKGDNJJFW-UHFFFAOYSA-N 0 1 268.273 0.864 20 5 CCBDMN Cc1cc(C[C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])[nH]n1 ZINC000159251484 389362316 /nfs/dbraw/zinc/36/23/16/389362316.db2.gz QKRPDCBYPPTAPS-ZCFIWIBFSA-N 0 1 278.272 0.710 20 5 CCBDMN Cc1cc(C[C@@H](C)NC(=O)c2[nH]ncc2[N+](=O)[O-])n[nH]1 ZINC000159251484 389362320 /nfs/dbraw/zinc/36/23/20/389362320.db2.gz QKRPDCBYPPTAPS-ZCFIWIBFSA-N 0 1 278.272 0.710 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC(=O)N(CC3CC3)C2)c1[N+](=O)[O-] ZINC000279375374 389569762 /nfs/dbraw/zinc/56/97/62/389569762.db2.gz HAHBABDSKSULGA-UHFFFAOYSA-N 0 1 293.283 0.278 20 5 CCBDMN C[C@H]1CCN(C)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000350904017 389555676 /nfs/dbraw/zinc/55/56/76/389555676.db2.gz VGDWRFMDSXEYPD-VIFPVBQESA-N 0 1 293.327 0.738 20 5 CCBDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000179247298 389648042 /nfs/dbraw/zinc/64/80/42/389648042.db2.gz WVTKCXOQKSINFH-NXEZZACHSA-N 0 1 281.316 0.342 20 5 CCBDMN COCCO[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000179338802 389653485 /nfs/dbraw/zinc/65/34/85/389653485.db2.gz SCSJWKLKJWYTCT-CYBMUJFWSA-N 0 1 298.343 0.919 20 5 CCBDMN Cn1cc([C@@H]2CSCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000375455332 389678156 /nfs/dbraw/zinc/67/81/56/389678156.db2.gz AZCASGNLYYIQBP-MXWKQRLJSA-N 0 1 296.352 0.702 20 5 CCBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000351874350 389705281 /nfs/dbraw/zinc/70/52/81/389705281.db2.gz ZVZDUGFBVRXTGD-HQJQHLMTSA-N 0 1 290.279 0.924 20 5 CCBDMN O=C(N[C@@H]1Cc2cccc(O)c2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000430496017 389802791 /nfs/dbraw/zinc/80/27/91/389802791.db2.gz CRESDWUNGHIRRT-MRVPVSSYSA-N 0 1 288.263 0.921 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCN(C)CC1 ZINC000408052018 389822649 /nfs/dbraw/zinc/82/26/49/389822649.db2.gz SNKUJOWWBCVLRL-UHFFFAOYSA-N 0 1 267.289 0.106 20 5 CCBDMN COC[C@](C)(CCO)NCc1c([N+](=O)[O-])ncn1C ZINC000444232715 389897588 /nfs/dbraw/zinc/89/75/88/389897588.db2.gz BTNQYAYMTGMJGC-NSHDSACASA-N 0 1 272.305 0.205 20 5 CCBDMN C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000445146916 389922056 /nfs/dbraw/zinc/92/20/56/389922056.db2.gz ZLLOHYBCQRRWLE-BDAKNGLRSA-N 0 1 294.311 0.860 20 5 CCBDMN CNS(=O)(=O)CCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000438907772 390011773 /nfs/dbraw/zinc/01/17/73/390011773.db2.gz BITFUJJACPAGHD-XQRVVYSFSA-N 0 1 299.352 0.747 20 5 CCBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000537597006 390180503 /nfs/dbraw/zinc/18/05/03/390180503.db2.gz QADIURHIUUYUQN-ZCFIWIBFSA-N 0 1 262.229 0.599 20 5 CCBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000578109491 390864706 /nfs/dbraw/zinc/86/47/06/390864706.db2.gz KMIJMESBCCAXBQ-DGCLKSJQSA-N 0 1 266.297 0.770 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC(O)(C(F)F)C2)c1[N+](=O)[O-] ZINC000425015309 533657717 /nfs/dbraw/zinc/65/77/17/533657717.db2.gz FGFOKXZNCDRIPY-UHFFFAOYSA-N 0 1 276.199 0.078 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000341815228 130053277 /nfs/dbraw/zinc/05/32/77/130053277.db2.gz FQXOBDFXPQKIJX-YUMQZZPRSA-N 0 1 268.273 0.612 20 5 CCBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc[nH]n1 ZINC000356623162 144020109 /nfs/dbraw/zinc/02/01/09/144020109.db2.gz TUBRUBDIOPCCPH-LURJTMIESA-N 0 1 277.240 0.910 20 5 CCBDMN C[C@H]1[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000356851447 144038217 /nfs/dbraw/zinc/03/82/17/144038217.db2.gz MSXKWNSHZYZMCN-QWRGUYRKSA-N 0 1 295.343 0.732 20 5 CCBDMN C[C@H]1[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCCN1C ZINC000357474179 144094479 /nfs/dbraw/zinc/09/44/79/144094479.db2.gz LQJJUVPWIVQGMM-WCBMZHEXSA-N 0 1 293.327 0.983 20 5 CCBDMN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCCNC1=O ZINC000372713198 144378379 /nfs/dbraw/zinc/37/83/79/144378379.db2.gz IEROGIGSNWPICB-SNVBAGLBSA-N 0 1 281.316 0.392 20 5 CCBDMN NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccn(CCO)n1 ZINC000525705794 420395627 /nfs/dbraw/zinc/39/56/27/420395627.db2.gz PGGLMFOSFPOJLH-UHFFFAOYSA-N 0 1 292.255 0.021 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CCN(C[C@@H]3CCOC3)CC2)nc1 ZINC000273587522 275040963 /nfs/dbraw/zinc/04/09/63/275040963.db2.gz GTWDTXDZJNDDCV-NSHDSACASA-N 0 1 293.327 0.543 20 5 CCBDMN CN1CCO[C@H]2CCN(c3ncc([N+](=O)[O-])s3)C[C@H]21 ZINC000285124933 277130190 /nfs/dbraw/zinc/13/01/90/277130190.db2.gz RSOAAAUIDVPYIL-BDAKNGLRSA-N 0 1 284.341 0.961 20 5 CCBDMN C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237448510 279239414 /nfs/dbraw/zinc/23/94/14/279239414.db2.gz DLPVYPFJTGMERK-RKDXNWHRSA-N 0 1 280.284 0.949 20 5 CCBDMN CCCN(CC(=O)NC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000354727539 521544041 /nfs/dbraw/zinc/54/40/41/521544041.db2.gz FXGZNWLMUQPFKE-UHFFFAOYSA-N 0 1 283.288 0.225 20 5 CCBDMN CC[C@@H](C(N)=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365823462 521894639 /nfs/dbraw/zinc/89/46/39/521894639.db2.gz VMLPZDZCLHEZMG-JTQLQIEISA-N 0 1 281.316 0.692 20 5 CCBDMN COC(=O)[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000353423723 523975534 /nfs/dbraw/zinc/97/55/34/523975534.db2.gz SDJMGKDQRQOZGP-GFCCVEGCSA-N 0 1 296.279 0.674 20 5 CCBDMN O=C(N[C@@H](CO)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000155628741 526862453 /nfs/dbraw/zinc/86/24/53/526862453.db2.gz LOCOHJJOQXOKFQ-VIFPVBQESA-N 0 1 276.252 0.781 20 5 CCBDMN C[C@@H]1CN(C[C@@H]2CCCN2CC[N+](=O)[O-])C[C@@H](C)O1 ZINC000791053566 581206572 /nfs/dbraw/zinc/20/65/72/581206572.db2.gz UFRXVCQSVIAVKN-UPJWGTAASA-N 0 1 271.361 0.837 20 5 CCBDMN CN(C)C(=O)CCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000726734443 581248038 /nfs/dbraw/zinc/24/80/38/581248038.db2.gz VQRMVSQUQFHWEJ-UHFFFAOYSA-N 0 1 255.230 0.558 20 5 CCBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1nnnn1C ZINC000796933664 581455606 /nfs/dbraw/zinc/45/56/06/581455606.db2.gz HDJAJFJPWXSANA-YFKPBYRVSA-N 0 1 266.217 0.364 20 5 CCBDMN CC(=CC(=O)NCc1nn[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000752273368 581542887 /nfs/dbraw/zinc/54/28/87/581542887.db2.gz AOCPTQDCPWWHSR-SOFGYWHQSA-N 0 1 288.267 0.828 20 5 CCBDMN Cc1cc(CC(=O)OCCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000756702508 581675335 /nfs/dbraw/zinc/67/53/35/581675335.db2.gz WIPUBIYBXZYYII-UHFFFAOYSA-N 0 1 279.256 0.609 20 5 CCBDMN CCN(CC)C(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671982 614983999 /nfs/dbraw/zinc/98/39/99/614983999.db2.gz BKFHOTKHDHMBIK-IWSPIJDZSA-N 0 1 258.274 0.452 20 5 CCBDMN O=C([O-])CC[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000833236136 600720930 /nfs/dbraw/zinc/72/09/30/600720930.db2.gz NZZMZFCNQQWYDA-UHFFFAOYSA-N 0 1 298.299 0.705 20 5 CCBDMN C[C@]1(C(=O)[O-])CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000828024599 601931440 /nfs/dbraw/zinc/93/14/40/601931440.db2.gz SZBJQJMLCYEBCB-NSHDSACASA-N 0 1 268.273 0.588 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)N1C(=O)[O-] ZINC000826059679 603996305 /nfs/dbraw/zinc/99/63/05/603996305.db2.gz YMWLRVGEMMQEQN-AOOOYVTPSA-N 0 1 297.315 0.864 20 5 CCBDMN C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)N1C(=O)[O-] ZINC000826059679 603996307 /nfs/dbraw/zinc/99/63/07/603996307.db2.gz YMWLRVGEMMQEQN-AOOOYVTPSA-N 0 1 297.315 0.864 20 5 CCBDMN CS(=O)(=O)c1cccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840674309 617189694 /nfs/dbraw/zinc/18/96/94/617189694.db2.gz KZFAERBQPIVDHC-GHMZBOCLSA-N 0 1 299.304 0.799 20 5 CCBDMN O=C([O-])N[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834190099 605819001 /nfs/dbraw/zinc/81/90/01/605819001.db2.gz RKZYWDBDUVINPF-CMPLNLGQSA-N 0 1 295.295 0.970 20 5 CCBDMN O=C([O-])N[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834190099 605819003 /nfs/dbraw/zinc/81/90/03/605819003.db2.gz RKZYWDBDUVINPF-CMPLNLGQSA-N 0 1 295.295 0.970 20 5 CCBDMN CC(C)(CO)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccnc1 ZINC000855107449 614125166 /nfs/dbraw/zinc/12/51/66/614125166.db2.gz BDJUSIHEXYLASC-UTUOFQBUSA-N 0 1 293.323 0.923 20 5 CCBDMN CC(=O)N[C@H](C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000835718219 614101937 /nfs/dbraw/zinc/10/19/37/614101937.db2.gz VXNSRSBBFRBJOC-ZCFIWIBFSA-N 0 1 255.230 0.604 20 5 CCBDMN CC(C)(CO)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000848247951 614125459 /nfs/dbraw/zinc/12/54/59/614125459.db2.gz XDFNYNWPVQIMKF-OPRDCNLKSA-N 0 1 256.302 0.565 20 5 CCBDMN CC(C)N(C)C(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673165 614250769 /nfs/dbraw/zinc/25/07/69/614250769.db2.gz IVTXNEFKKUKTRE-IWSPIJDZSA-N 0 1 258.274 0.450 20 5 CCBDMN CC(C)C(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956368071 614349077 /nfs/dbraw/zinc/34/90/77/614349077.db2.gz FQIDHSVVBHZGHA-GHMZBOCLSA-N 0 1 297.355 0.805 20 5 CCBDMN CC(C)N1CCC[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000840671571 614349631 /nfs/dbraw/zinc/34/96/31/614349631.db2.gz XMLIRDWGRCLLCG-BBBLOLIVSA-N 0 1 270.285 0.594 20 5 CCBDMN CCCCOC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670137 614443162 /nfs/dbraw/zinc/44/31/62/614443162.db2.gz AVHZLJFZJHDSLQ-IWSPIJDZSA-N 0 1 259.258 0.927 20 5 CCBDMN CC1(C)CCC[C@]1(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839779388 614539130 /nfs/dbraw/zinc/53/91/30/614539130.db2.gz XBBNBJWODFKTFW-LNLATYFQSA-N 0 1 256.302 0.709 20 5 CCBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000839790532 614594938 /nfs/dbraw/zinc/59/49/38/614594938.db2.gz BOQQKIXPZPDYLY-UTINFBMNSA-N 0 1 254.286 0.535 20 5 CCBDMN CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839624583 614890081 /nfs/dbraw/zinc/89/00/81/614890081.db2.gz ITOLOUUIWCPZBM-QJPTWQEYSA-N 0 1 297.355 0.807 20 5 CCBDMN CCC[C@@]1(CO)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840437133 615032073 /nfs/dbraw/zinc/03/20/73/615032073.db2.gz HPJIKBXNCFDEGZ-FOGDFJRCSA-N 0 1 256.302 0.805 20 5 CCBDMN CCOC(=O)CC[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713597 615183077 /nfs/dbraw/zinc/18/30/77/615183077.db2.gz CRAPMGNVQNJKDM-DJLDLDEBSA-N 0 1 258.274 0.500 20 5 CCBDMN CCN1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000882481778 615257736 /nfs/dbraw/zinc/25/77/36/615257736.db2.gz VRZLFXHTZGBNHA-SECBINFHSA-N 0 1 266.301 0.757 20 5 CCBDMN CC[C@@H]1CN(C)CCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000820721620 615562840 /nfs/dbraw/zinc/56/28/40/615562840.db2.gz JJVDURAFMJQUIY-LLVKDONJSA-N 0 1 295.343 0.652 20 5 CCBDMN CCn1nc(C)c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000819601855 615663472 /nfs/dbraw/zinc/66/34/72/615663472.db2.gz JSDADKVONYZUMZ-UHFFFAOYSA-N 0 1 279.260 0.168 20 5 CCBDMN CCc1nc([C@@H](C)OC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000849677219 615754228 /nfs/dbraw/zinc/75/42/28/615754228.db2.gz SRSCMBNWKAYPKE-SSDOTTSWSA-N 0 1 294.271 0.776 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC2(C)CC2)C1 ZINC000954242573 615867453 /nfs/dbraw/zinc/86/74/53/615867453.db2.gz ULHBPLBKYPCKRR-GHMZBOCLSA-N 0 1 295.339 0.511 20 5 CCBDMN C[N@H+](CCC(=O)[O-])CCn1cc([N+](=O)[O-])ccc1=O ZINC000820585909 616069132 /nfs/dbraw/zinc/06/91/32/616069132.db2.gz DHJNEMSGQRYWSV-UHFFFAOYSA-N 0 1 269.257 0.163 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852188352 616109380 /nfs/dbraw/zinc/10/93/80/616109380.db2.gz IKJRTXRVYQSQBI-JTQLQIEISA-N 0 1 294.267 0.849 20 5 CCBDMN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000852495125 616133448 /nfs/dbraw/zinc/13/34/48/616133448.db2.gz HPVWXOQUVLJAIQ-ZIAGYGMSSA-N 0 1 296.323 0.975 20 5 CCBDMN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000874832852 616199207 /nfs/dbraw/zinc/19/92/07/616199207.db2.gz IQJVUSMOCNKAES-DTWKUNHWSA-N 0 1 279.300 0.627 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)n1 ZINC000923276089 616309044 /nfs/dbraw/zinc/30/90/44/616309044.db2.gz NNFOXIKKRHUSTK-VHSXEESVSA-N 0 1 293.327 0.637 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000923276600 616309913 /nfs/dbraw/zinc/30/99/13/616309913.db2.gz ZHJVYMPZPHSISR-VHSXEESVSA-N 0 1 293.327 0.637 20 5 CCBDMN COC(=O)[C@H](CC(F)(F)F)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839723917 616591501 /nfs/dbraw/zinc/59/15/01/616591501.db2.gz FJRLUDBNZPOQEP-NGJCXOISSA-N 0 1 284.190 0.262 20 5 CCBDMN COCCOc1ncccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842325226 616599288 /nfs/dbraw/zinc/59/92/88/616599288.db2.gz MKOHWOLXLQHGOY-GHMZBOCLSA-N 0 1 296.279 0.815 20 5 CCBDMN COC(=O)[C@H](Cc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673660 616610011 /nfs/dbraw/zinc/61/00/11/616610011.db2.gz XHSKXGGHEMVIAD-UTUOFQBUSA-N 0 1 293.275 0.979 20 5 CCBDMN COC(=O)C[C@@H](NCc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000878414752 616648587 /nfs/dbraw/zinc/64/85/87/616648587.db2.gz SNVZUANTEUNHHC-SNVBAGLBSA-N 0 1 282.300 0.760 20 5 CCBDMN COC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839708301 616655603 /nfs/dbraw/zinc/65/56/03/616655603.db2.gz IVFNKNRUPJCRCM-DJLDLDEBSA-N 0 1 256.258 0.206 20 5 CCBDMN COC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000840391301 617013312 /nfs/dbraw/zinc/01/33/12/617013312.db2.gz HAIFLLHWQNSXHW-MXWKQRLJSA-N 0 1 284.312 0.890 20 5 CCBDMN COC[C@@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000840369132 617022327 /nfs/dbraw/zinc/02/23/27/617022327.db2.gz LIJVJFJEJAYMCI-ATRFCDNQSA-N 0 1 270.207 0.735 20 5 CCBDMN CO[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCOC1 ZINC000849806155 617169942 /nfs/dbraw/zinc/16/99/42/617169942.db2.gz DWEWLQUGVUPIOM-JLIMGVALSA-N 0 1 259.258 0.246 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CC[C@@H](N2CC=CC2)C1 ZINC000892680412 623699785 /nfs/dbraw/zinc/69/97/85/623699785.db2.gz YLCSWFULTVPFER-SNVBAGLBSA-N 0 1 263.301 0.779 20 5 CCBDMN O=C(NCc1ccc(CCO)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000890640310 624542476 /nfs/dbraw/zinc/54/24/76/624542476.db2.gz ZTXJFBCDLSJNOF-VXGBXAGGSA-N 0 1 264.281 0.503 20 5 CCBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@H]2CO)cc1 ZINC000934017905 625004436 /nfs/dbraw/zinc/00/44/36/625004436.db2.gz TXNDJVLRGRTNAY-RYUDHWBXSA-N 0 1 252.270 0.695 20 5 CCBDMN CS(=O)(=O)CC1(CNCC[N+](=O)[O-])CCC1 ZINC000905287887 634840509 /nfs/dbraw/zinc/84/05/09/634840509.db2.gz BLSZWEVSYMJOSQ-UHFFFAOYSA-N 0 1 250.320 0.068 20 5 CCBDMN O=C(Cc1cccc(F)c1)NCCNCC[N+](=O)[O-] ZINC000905081809 634790586 /nfs/dbraw/zinc/79/05/86/634790586.db2.gz PPJCJOVXVYQVEU-UHFFFAOYSA-N 0 1 269.276 0.351 20 5 CCBDMN O=[N+]([O-])CCNC[C@H](O)COc1cccc(F)c1 ZINC000905339762 634849259 /nfs/dbraw/zinc/84/92/59/634849259.db2.gz CBPVRZCNYDJKKQ-JTQLQIEISA-N 0 1 258.249 0.432 20 5 CCBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@]1(O)CCOC1 ZINC000840693054 632018515 /nfs/dbraw/zinc/01/85/15/632018515.db2.gz VUUIEJQZBIUFJE-GFCCVEGCSA-N 0 1 283.236 0.495 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC(N2CCCC2)C1 ZINC000898605288 633632216 /nfs/dbraw/zinc/63/22/16/633632216.db2.gz SMLBTVBBLKEVRR-UHFFFAOYSA-N 0 1 265.273 0.238 20 5 CCBDMN CC[C@@H](O)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000912113369 636493932 /nfs/dbraw/zinc/49/39/32/636493932.db2.gz LSPMGYNCGJGITR-LMLFDSFASA-N 0 1 256.302 0.804 20 5 CCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](N2CCC2)C1 ZINC000912921840 636703269 /nfs/dbraw/zinc/70/32/69/636703269.db2.gz GDGHTOAVIJLFPM-SNVBAGLBSA-N 0 1 279.300 0.098 20 5 CCBDMN CC1(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC001011114832 650286181 /nfs/dbraw/zinc/28/61/81/650286181.db2.gz YOHQGBGHNFOUTN-GHMZBOCLSA-N 0 1 295.339 0.513 20 5 CCBDMN O=C(O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000838907152 640277367 /nfs/dbraw/zinc/27/73/67/640277367.db2.gz BDAMODPSROTLQM-AOOOYVTPSA-N 0 1 295.295 0.943 20 5 CCBDMN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000839713281 640356823 /nfs/dbraw/zinc/35/68/23/640356823.db2.gz RZPIOTMURJAQSU-VPJKUYQRSA-N 0 1 266.297 0.725 20 5 CCBDMN O=C(N[C@H](CCO)c1ccco1)[C@@H]1CC1[N+](=O)[O-] ZINC000839727627 640357673 /nfs/dbraw/zinc/35/76/73/640357673.db2.gz DULUASNXBCJMNU-IWSPIJDZSA-N 0 1 254.242 0.485 20 5 CCBDMN C[C@@H]1OCC[C@@]12CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000839747617 640360782 /nfs/dbraw/zinc/36/07/82/640360782.db2.gz CUDATDFVIJXCDY-BTQIBKBOSA-N 0 1 270.285 0.058 20 5 CCBDMN CO[C@@](C)([C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839832300 640463742 /nfs/dbraw/zinc/46/37/42/640463742.db2.gz XZDHCKWCGMWZDF-LTGWCKQJSA-N 0 1 256.302 0.971 20 5 CCBDMN Nc1ccc(C(=O)Nc2n[nH]c3ncnn23)cc1[N+](=O)[O-] ZINC000816656227 641184713 /nfs/dbraw/zinc/18/47/13/641184713.db2.gz KHOQOHXZSJLPKC-UHFFFAOYSA-N 0 1 288.227 0.195 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000819566720 641420285 /nfs/dbraw/zinc/42/02/85/641420285.db2.gz FFTLAEQHHDFQLN-SLPGGIOYSA-N 0 1 256.180 0.080 20 5 CCBDMN COC(=O)c1cnc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000819634525 641422465 /nfs/dbraw/zinc/42/24/65/641422465.db2.gz BTTTXOYDFIWYLW-RRKCRQDMSA-N 0 1 299.308 0.772 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](n2ccnn2)CC1 ZINC000824532744 641831540 /nfs/dbraw/zinc/83/15/40/641831540.db2.gz PZUIHIRFILMLKE-HBNTYKKESA-N 0 1 279.300 0.497 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2CSC[C@@H]2C1 ZINC000827102488 641980324 /nfs/dbraw/zinc/98/03/24/641980324.db2.gz KTIWBAVEONJUJY-AXTSPUMRSA-N 0 1 256.327 0.863 20 5 CCBDMN C[S@](=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000828311192 642085832 /nfs/dbraw/zinc/08/58/32/642085832.db2.gz MTDBJLWRPXOIBC-FVINQWEUSA-N 0 1 298.368 0.855 20 5 CCBDMN O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@@H]1CC1[N+](=O)[O-] ZINC000831150997 642319205 /nfs/dbraw/zinc/31/92/05/642319205.db2.gz PAWRPNLULKNZEF-OGBGREFGSA-N 0 1 252.270 0.359 20 5 CCBDMN O=C(NCc1ccc2c(=O)cc[nH]c2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000834692235 642621330 /nfs/dbraw/zinc/62/13/30/642621330.db2.gz YXKMPALYNRMRSE-ZYHUDNBSSA-N 0 1 287.275 0.810 20 5 CCBDMN CS(=O)(=O)CC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000840671209 642784358 /nfs/dbraw/zinc/78/43/58/642784358.db2.gz PUHAVIWSSZBKSB-RKDXNWHRSA-N 0 1 291.325 0.410 20 5 CCBDMN O=C(OCCOC[C@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000840671203 642784431 /nfs/dbraw/zinc/78/44/31/642784431.db2.gz PISQUTRNFXXIFR-OPRDCNLKSA-N 0 1 259.258 0.390 20 5 CCBDMN O=C(NCCOC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000840669611 642784520 /nfs/dbraw/zinc/78/45/20/642784520.db2.gz DWOZNGVXJZRZSY-NXEZZACHSA-N 0 1 270.285 0.501 20 5 CCBDMN C[C@H](C1CC1)N(C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840672243 642784611 /nfs/dbraw/zinc/78/46/11/642784611.db2.gz FOIHYTAFBYQFRJ-GGZOMVNGSA-N 0 1 296.323 0.984 20 5 CCBDMN COc1cncc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840673359 642786464 /nfs/dbraw/zinc/78/64/64/642786464.db2.gz MABPLBCHVKOSBH-NXEZZACHSA-N 0 1 252.226 0.799 20 5 CCBDMN O=C(OCc1cnn(-c2ccccc2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673268 642786781 /nfs/dbraw/zinc/78/67/81/642786781.db2.gz WWUSYMSZYGMGMY-VXGBXAGGSA-N 0 1 288.263 0.976 20 5 CCBDMN Cc1ccnc(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000842372909 642893294 /nfs/dbraw/zinc/89/32/94/642893294.db2.gz SVOKIRCIAHLFIB-RKDXNWHRSA-N 0 1 251.242 0.536 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000844434504 643215385 /nfs/dbraw/zinc/21/53/85/643215385.db2.gz UNZYBGUKPSNDLY-OXMIEMGYSA-N 0 1 296.348 0.833 20 5 CCBDMN O=C(NCCC1SCCS1)[C@@H]1CC1[N+](=O)[O-] ZINC000856215998 644400456 /nfs/dbraw/zinc/40/04/56/644400456.db2.gz JFNOCFRHHYDRMQ-RNFRBKRXSA-N 0 1 262.356 0.964 20 5 CCBDMN C[C@H]1CC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000859123046 644669374 /nfs/dbraw/zinc/66/93/74/644669374.db2.gz MCMHJZVDLWPEHR-YUMQZZPRSA-N 0 1 288.329 0.795 20 5 CCBDMN O=C(OC1CCN(c2ncccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000861286463 644871856 /nfs/dbraw/zinc/87/18/56/644871856.db2.gz BRZIUFYTZAXMTK-GHMZBOCLSA-N 0 1 292.295 0.654 20 5 CCBDMN CCC(=O)N[C@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001019898152 651013096 /nfs/dbraw/zinc/01/30/96/651013096.db2.gz MZAQRSOIAJKJAJ-KYZUINATSA-N 0 1 281.316 0.475 20 5 CCBDMN O=C(NC[C@]12C[C@H]1COC21CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000890167190 648288662 /nfs/dbraw/zinc/28/86/62/648288662.db2.gz MGUCQZCJBWFYPR-BTQIBKBOSA-N 0 1 266.297 0.727 20 5 CCBDMN O=[N+]([O-])CCN1CCCC[C@@H]1CN1CCOCC1 ZINC000929747223 648786529 /nfs/dbraw/zinc/78/65/29/648786529.db2.gz KCNIEYNILXIYOU-GFCCVEGCSA-N 0 1 257.334 0.450 20 5 CCBDMN O=C1CCCN1[C@H]1CCCN(CC[N+](=O)[O-])CC1 ZINC000930725342 648894568 /nfs/dbraw/zinc/89/45/68/648894568.db2.gz DDPSBWINKKAEND-NSHDSACASA-N 0 1 255.318 0.740 20 5 CCBDMN C[C@@]1([C@@H]2CCCN(CC[N+](=O)[O-])C2)COC(=O)N1 ZINC000932016207 649042372 /nfs/dbraw/zinc/04/23/72/649042372.db2.gz JVGCFPDFCBFQQP-KOLCDFICSA-N 0 1 257.290 0.474 20 5 CCBDMN O=C(NCC1CCN(C(=O)C2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000948614651 649383195 /nfs/dbraw/zinc/38/31/95/649383195.db2.gz GRPKVRUKWOCPMG-VXGBXAGGSA-N 0 1 295.339 0.416 20 5 CCBDMN Cc1cnc(N2C[C@H]3OCCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000471703213 719372495 /nfs/dbraw/zinc/37/24/95/719372495.db2.gz YZXVRUKBUAMPNQ-VXGBXAGGSA-N 0 1 278.312 0.817 20 5 CCBDMN Cc1cc(O)c([N+](=O)[O-])c(OC[C@H]2COCO2)n1 ZINC001231258595 805763717 /nfs/dbraw/zinc/76/37/17/805763717.db2.gz AIMXWSCIKVMGGF-SSDOTTSWSA-N 0 1 256.214 0.756 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@]12CCOC2 ZINC001121286491 799026819 /nfs/dbraw/zinc/02/68/19/799026819.db2.gz XSEHHJUWTRBACL-FOGDFJRCSA-N 0 1 254.286 0.823 20 5 CCBDMN COCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001122316446 799196067 /nfs/dbraw/zinc/19/60/67/799196067.db2.gz JBBWKDWLRWKYKA-UHFFFAOYSA-N 0 1 267.285 0.447 20 5 CCBDMN COC(=O)c1c[nH]c(=O)c(NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001125144811 799662905 /nfs/dbraw/zinc/66/29/05/799662905.db2.gz ZWDSHTSCQWBLJQ-HTRCEHHLSA-N 0 1 281.224 0.178 20 5 CCBDMN CC(C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC001152629164 800544578 /nfs/dbraw/zinc/54/45/78/800544578.db2.gz HHGOGYXLYAORBL-ZETCQYMHSA-N 0 1 296.205 0.750 20 5 CCBDMN COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001154754461 800840088 /nfs/dbraw/zinc/84/00/88/800840088.db2.gz WOJXRGRIXDZUDK-LDYMZIIASA-N 0 1 294.263 0.839 20 5 CCBDMN NC1=CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)N1 ZINC001155670567 801035747 /nfs/dbraw/zinc/03/57/47/801035747.db2.gz ORYFUBNHRFLJGD-UHFFFAOYSA-N 0 1 250.214 0.061 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(-n2c(C)cnc2CN)n1 ZINC001158169440 801582268 /nfs/dbraw/zinc/58/22/68/801582268.db2.gz LTDXZECOUJZAKC-UHFFFAOYSA-N 0 1 291.267 0.729 20 5 CCBDMN COc1nc(NC[C@@H]2COCCN2)ccc1[N+](=O)[O-] ZINC001159043166 801748728 /nfs/dbraw/zinc/74/87/28/801748728.db2.gz PXDVZXDXNXPIME-MRVPVSSYSA-N 0 1 268.273 0.399 20 5 CCBDMN CC[C@@](N)(CO)Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001159743759 801859913 /nfs/dbraw/zinc/85/99/13/801859913.db2.gz LRCHRXWXDXZXBX-NSHDSACASA-N 0 1 265.273 0.940 20 5 CCBDMN O=[N+]([O-])c1cccnc1NCc1nnc2n1CCCNC2 ZINC001163017811 802460182 /nfs/dbraw/zinc/46/01/82/802460182.db2.gz XNFLVARAZOZZGD-UHFFFAOYSA-N 0 1 289.299 0.687 20 5 CCBDMN O=C(NCc1cn(C2CCC2)nn1)[C@@H]1CC1[N+](=O)[O-] ZINC001164176631 802683658 /nfs/dbraw/zinc/68/36/58/802683658.db2.gz XJHQBFPLUOHRBH-NXEZZACHSA-N 0 1 265.273 0.285 20 5 CCBDMN COC(=O)[C@@H]1CNCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC001165436939 802840523 /nfs/dbraw/zinc/84/05/23/802840523.db2.gz MWOIZVCYITVCST-JTQLQIEISA-N 0 1 280.284 0.249 20 5 CCBDMN COC(=O)[C@@H]1CNCCN1c1ncc([N+](=O)[O-])c(C)c1C ZINC001165437760 802840801 /nfs/dbraw/zinc/84/08/01/802840801.db2.gz BOXNRTWAXVCQPM-NSHDSACASA-N 0 1 294.311 0.558 20 5 CCBDMN O=[N+]([O-])c1ccccc1N1CC[C@H](OCc2nn[nH]n2)C1 ZINC001223028081 804948014 /nfs/dbraw/zinc/94/80/14/804948014.db2.gz WVJGHKPAYNCJOO-VIFPVBQESA-N 0 1 290.283 0.903 20 5 CCBDMN O=c1ncc([N+](=O)[O-])c(O[C@H]2CCc3[nH+]ccn3C2)[n-]1 ZINC001226337247 805221693 /nfs/dbraw/zinc/22/16/93/805221693.db2.gz WOZYBRXPLAFPCY-ZETCQYMHSA-N 0 1 277.240 0.681 20 5 CCBDMN O=[N+]([O-])c1cncnc1O[C@@H]1CN2CCC1CC2 ZINC001228656106 805464705 /nfs/dbraw/zinc/46/47/05/805464705.db2.gz ZHZIAGHFTKHZAM-SNVBAGLBSA-N 0 1 250.258 0.858 20 5 CCBDMN Cc1nc(O[C@@H]2C(=O)OCC2(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229376423 805526981 /nfs/dbraw/zinc/52/69/81/805526981.db2.gz VLEYJVRPXCLRCE-SSDOTTSWSA-N 0 1 283.240 0.729 20 5 CCBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](NC1(CO)COC1)C2 ZINC001254574411 808261374 /nfs/dbraw/zinc/26/13/74/808261374.db2.gz GXWUPOSKFNPRKF-LLVKDONJSA-N 0 1 264.281 0.413 20 5 CCBDMN Cc1nc(N[C@H](C)[C@@H]2CN(C)CCN2C)ncc1[N+](=O)[O-] ZINC001262373217 809294581 /nfs/dbraw/zinc/29/45/81/809294581.db2.gz PQDYGFLYQHSUKH-PWSUYJOCSA-N 0 1 294.359 0.739 20 5 CCBDMN Cc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cn(C)c1=O ZINC001127122645 815731237 /nfs/dbraw/zinc/73/12/37/815731237.db2.gz HIKPYNCWWRLAIV-RKDXNWHRSA-N 0 1 251.242 0.297 20 5 CCBDMN C[C@H](COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CN1CCOCC1 ZINC001123219372 816886001 /nfs/dbraw/zinc/88/60/01/816886001.db2.gz HTDZDIUZICGSFV-HBNTYKKESA-N 0 1 272.301 0.163 20 5 CCBDMN Cc1nc([C@@H](C)NC(=O)CCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC001117460382 818470839 /nfs/dbraw/zinc/47/08/39/818470839.db2.gz VADHFMIKQSZMNG-SSDOTTSWSA-N 0 1 293.287 0.485 20 5 CCBDMN Cc1c[n+]([O-])c(NC(=N)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001168737033 818554258 /nfs/dbraw/zinc/55/42/58/818554258.db2.gz UXNRNWMQQWVJKC-UHFFFAOYSA-N 0 1 294.315 0.131 20 5 CCBDMN O=C(N[C@H]1CCc2nc[nH]c2C1)c1c[nH]nc1[N+](=O)[O-] ZINC001117651644 818583619 /nfs/dbraw/zinc/58/36/19/818583619.db2.gz OHTVXNXAPBUTEM-LURJTMIESA-N 0 1 276.256 0.328 20 5 CCBDMN NCc1nnnn1-c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001168919254 836051953 /nfs/dbraw/zinc/05/19/53/836051953.db2.gz XWYIDZYGZOJRDE-UHFFFAOYSA-N 0 1 271.240 0.577 20 5 CCBDMN COC[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169037039 836109634 /nfs/dbraw/zinc/10/96/34/836109634.db2.gz HYUJWWDHKACAJG-SRVKXCTJSA-N 0 1 258.318 0.779 20 5 CCBDMN COc1ccc(NC[C@H]2COCCN2)nc1[N+](=O)[O-] ZINC001170036441 836757813 /nfs/dbraw/zinc/75/78/13/836757813.db2.gz ZIVXDXZPPJLUBC-QMMMGPOBSA-N 0 1 268.273 0.399 20 5 CCBDMN O=[N+]([O-])c1cc(NC[C@@H]2COCCN2)cn2ccnc12 ZINC001170045604 836785402 /nfs/dbraw/zinc/78/54/02/836785402.db2.gz RXDHVJITXDQBIJ-SNVBAGLBSA-N 0 1 277.284 0.643 20 5 CCBDMN CC[C@](N)(CO)Nc1c(C)c([N+](=O)[O-])cnc1C(=O)OC ZINC001170864871 839458795 /nfs/dbraw/zinc/45/87/95/839458795.db2.gz JTGXWWUOPRWHGX-GFCCVEGCSA-N 0 1 298.299 0.554 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](O)[C@H](CO)C1 ZINC001171232104 840164406 /nfs/dbraw/zinc/16/44/06/840164406.db2.gz VEYQWPLOYVSLRA-WCQYABFASA-N 0 1 296.323 0.649 20 5 CCBDMN C[C@@H]1COC[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001195166296 846475327 /nfs/dbraw/zinc/47/53/27/846475327.db2.gz UJTXBZIGUZIJHG-SFYZADRCSA-N 0 1 287.297 0.303 20 5 CCBDMN C[C@](CO)(NC[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC001196906541 846818327 /nfs/dbraw/zinc/81/83/27/846818327.db2.gz ALIKHJXEPZSFGY-SMDDNHRTSA-N 0 1 293.323 0.671 20 5 CCBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001118238395 856219958 /nfs/dbraw/zinc/21/99/58/856219958.db2.gz GHWPXDNDFCFRQG-ZJUUUORDSA-N 0 1 282.300 0.976 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC001323554587 912410721 /nfs/dbraw/zinc/41/07/21/912410721.db2.gz GRTSAYUEPANPQO-ZCFIWIBFSA-N 0 1 291.271 0.347 20 5 CCBDMN CN(CCCNC(=O)c1ccco1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001283477199 891827923 /nfs/dbraw/zinc/82/79/23/891827923.db2.gz CKEXJWLMBYAOBX-NXEZZACHSA-N 0 1 295.295 0.523 20 5 CCBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001326500569 913990478 /nfs/dbraw/zinc/99/04/78/913990478.db2.gz FRERHTLIGNNRBW-VHSXEESVSA-N 0 1 282.300 0.976 20 5 CCBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3nnc[nH]3)C2)nc1 ZINC001327870694 914826004 /nfs/dbraw/zinc/82/60/04/914826004.db2.gz NMLVSMCLZBBOSC-VIFPVBQESA-N 0 1 289.299 0.794 20 5 CCBDMN CCc1nc(CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])n[nH]1 ZINC001298438883 907243965 /nfs/dbraw/zinc/24/39/65/907243965.db2.gz NEUGSJDBNQHTRZ-UHFFFAOYSA-N 0 1 293.287 0.097 20 5 CCBDMN COC(=O)C[C@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC001302666146 908029588 /nfs/dbraw/zinc/02/95/88/908029588.db2.gz FARJLADSNADXFH-LBPRGKRZSA-N 0 1 296.283 0.780 20 5 CCBDMN C[C@H](Cn1cc([N+](=O)[O-])cn1)CN1CCOCC1 ZINC001307288803 908300506 /nfs/dbraw/zinc/30/05/06/908300506.db2.gz IDPKHLAXQWEXFA-JTQLQIEISA-N 0 1 254.290 0.760 20 5 CCBDMN CC(C)(C)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC001317990075 909560363 /nfs/dbraw/zinc/56/03/63/909560363.db2.gz KADSQATUNYONGA-UHFFFAOYSA-N 0 1 295.343 0.734 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CN2CCC1CC2 ZINC001339138994 921663220 /nfs/dbraw/zinc/66/32/20/921663220.db2.gz AOHKEUQBXZRLEN-NSHDSACASA-N 0 1 293.327 0.310 20 5 CCBDMN Cc1nnc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC001336434230 920772405 /nfs/dbraw/zinc/77/24/05/920772405.db2.gz PBTLUDOTMRFTDE-BYPYZUCNSA-N 0 1 266.217 0.500 20 5 CCBDMN CC(C)(C)[C@H]1CNC(=O)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001340883071 922258298 /nfs/dbraw/zinc/25/82/98/922258298.db2.gz WJVVSZYAGBAUBV-IWSPIJDZSA-N 0 1 269.301 0.025 20 5 CCBDMN COC[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001341517677 922529716 /nfs/dbraw/zinc/52/97/16/922529716.db2.gz SOKRUHVDNWUNNI-JTQLQIEISA-N 0 1 297.286 0.794 20 5 CCBDMN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1nnc[nH]1 ZINC001341961778 922739862 /nfs/dbraw/zinc/73/98/62/922739862.db2.gz CXEMVSPQSYVJMN-UHFFFAOYSA-N 0 1 262.229 0.225 20 5 CCBDMN CN(Cc1cnc[nH]1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001300694209 926156266 /nfs/dbraw/zinc/15/62/66/926156266.db2.gz LFCQYMYSBDLUQX-UHFFFAOYSA-N 0 1 291.267 0.138 20 5 CCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC1CC1 ZINC001357150022 926488599 /nfs/dbraw/zinc/48/85/99/926488599.db2.gz USYVPYUGYMLQEZ-GHMZBOCLSA-N 0 1 283.328 0.369 20 5 CCBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC001589307694 953756926 /nfs/dbraw/zinc/75/69/26/953756926.db2.gz CEWUGPQMNSICHI-IUCAKERBSA-N 0 1 268.273 0.934 20 5 CCBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC001589307694 953756936 /nfs/dbraw/zinc/75/69/36/953756936.db2.gz CEWUGPQMNSICHI-IUCAKERBSA-N 0 1 268.273 0.934 20 5 CCBDMN Cn1cc(C[N@H+]2CCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])n1 ZINC001594542871 955666709 /nfs/dbraw/zinc/66/67/09/955666709.db2.gz NMMDGPMEQLMGQU-VIFPVBQESA-N 0 1 268.273 0.767 20 5 CCBDMN CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC001599123310 997782458 /nfs/dbraw/zinc/78/24/58/997782458.db2.gz JVQMFSYBYGCKBL-NXEZZACHSA-N 0 1 298.299 0.392 20 5 CCBDMN O=C1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CCN1 ZINC000093101459 349525880 /nfs/dbraw/zinc/52/58/80/349525880.db2.gz HULOJHFPDQEIGY-UHFFFAOYSA-N 0 1 265.269 0.622 20 5 CCBDMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600440767 361962247 /nfs/dbraw/zinc/96/22/47/361962247.db2.gz KHZFEOATKLCOHJ-LKHWLPBLSA-N 0 1 268.273 0.860 20 5 CCBDMN CCOC[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CCO1 ZINC000600408556 361953035 /nfs/dbraw/zinc/95/30/35/361953035.db2.gz AHJOKVUIKPVJOE-SECBINFHSA-N 0 1 298.299 0.504 20 5 CCBDMN C[C@H](CC(C)(C)O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600823584 362072321 /nfs/dbraw/zinc/07/23/21/362072321.db2.gz GXBZQRGQKPRZNG-ZCFIWIBFSA-N 0 1 256.262 0.597 20 5 CCBDMN Cn1cc(CN2CCN(C3CCC3)CC2)c([N+](=O)[O-])n1 ZINC000602469403 362633738 /nfs/dbraw/zinc/63/37/38/362633738.db2.gz RDBPGUQFORZHQV-UHFFFAOYSA-N 0 1 279.344 0.998 20 5 CCBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1COCCN1 ZINC000602552482 362675113 /nfs/dbraw/zinc/67/51/13/362675113.db2.gz SPFTVNZKPHWRPY-LLVKDONJSA-N 0 1 293.323 0.930 20 5 CCBDMN CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000119707470 349948928 /nfs/dbraw/zinc/94/89/28/349948928.db2.gz UUSDSDVARCVFRM-MRVPVSSYSA-N 0 1 267.289 0.484 20 5 CCBDMN C[C@H](O)[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602605686 362710317 /nfs/dbraw/zinc/71/03/17/362710317.db2.gz JWRMUUHOGWUNML-IUCAKERBSA-N 0 1 254.290 0.531 20 5 CCBDMN Cn1cc(CN2CC[C@@H](CCCO)C2)c([N+](=O)[O-])n1 ZINC000602686030 362748395 /nfs/dbraw/zinc/74/83/95/362748395.db2.gz NKGMBLUUVJTXOP-SNVBAGLBSA-N 0 1 268.317 0.923 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C[C@H](C)O)CC1 ZINC000602773586 362793368 /nfs/dbraw/zinc/79/33/68/362793368.db2.gz SLHQUABWGNYBKZ-NSHDSACASA-N 0 1 297.359 0.098 20 5 CCBDMN C[C@@H]1[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CCCN1C ZINC000343571733 137143271 /nfs/dbraw/zinc/14/32/71/137143271.db2.gz VAIFOKQFWOJPMS-BDAKNGLRSA-N 0 1 281.316 0.541 20 5 CCBDMN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1nn[nH]n1 ZINC000343756147 137154391 /nfs/dbraw/zinc/15/43/91/137154391.db2.gz VUZSOPJSVVHKHT-SSDOTTSWSA-N 0 1 293.287 0.718 20 5 CCBDMN O=C(Nc1nn[nH]n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000343784839 137156855 /nfs/dbraw/zinc/15/68/55/137156855.db2.gz WKFNIPLCEISLSG-UHFFFAOYSA-N 0 1 252.165 0.499 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000345957212 137262228 /nfs/dbraw/zinc/26/22/28/137262228.db2.gz MAPPMKQVPHRJJG-WDEREUQCSA-N 0 1 295.343 0.732 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1C ZINC000345980415 137262765 /nfs/dbraw/zinc/26/27/65/137262765.db2.gz KRNFKBMPKKLJBG-NXEZZACHSA-N 0 1 296.331 0.127 20 5 CCBDMN C[C@@]1(CO)C[C@@H](O)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000602907914 362879622 /nfs/dbraw/zinc/87/96/22/362879622.db2.gz NQQWIDSDHVDMLB-OLZOCXBDSA-N 0 1 266.297 0.912 20 5 CCBDMN C[C@@](CO)(NC[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602962045 362911014 /nfs/dbraw/zinc/91/10/14/362911014.db2.gz FKBNXRKVIRQDFM-KGLIPLIRSA-N 0 1 296.323 0.807 20 5 CCBDMN Cc1n[nH]c(C(=O)N(C)[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC000347936758 137364869 /nfs/dbraw/zinc/36/48/69/137364869.db2.gz XSBWDZHPNVDFJM-JTQLQIEISA-N 0 1 293.327 0.793 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC000347936758 137364870 /nfs/dbraw/zinc/36/48/70/137364870.db2.gz XSBWDZHPNVDFJM-JTQLQIEISA-N 0 1 293.327 0.793 20 5 CCBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000059279199 348637644 /nfs/dbraw/zinc/63/76/44/348637644.db2.gz MKPASKOONRSXOX-UHFFFAOYSA-N 0 1 265.273 0.238 20 5 CCBDMN O=C(NCCc1nc[nH]n1)c1ccc([N+](=O)[O-])o1 ZINC000080581739 349220330 /nfs/dbraw/zinc/22/03/30/349220330.db2.gz VLPDEJDRMQYBNC-UHFFFAOYSA-N 0 1 251.202 0.278 20 5 CCBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc[nH]n1 ZINC000080604185 349221504 /nfs/dbraw/zinc/22/15/04/349221504.db2.gz BAICDVVDFVPKAZ-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN CO[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000131752131 350286117 /nfs/dbraw/zinc/28/61/17/350286117.db2.gz WNCZJPLTJWQJND-LBPRGKRZSA-N 0 1 281.312 0.867 20 5 CCBDMN COc1cc(C(=O)NCc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000134239818 350358432 /nfs/dbraw/zinc/35/84/32/350358432.db2.gz VUWRAJKPAUZPHX-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN O=C(CCNCc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000134493142 350366285 /nfs/dbraw/zinc/36/62/85/350366285.db2.gz GVLNFYFWOBUUQT-UHFFFAOYSA-N 0 1 293.323 0.933 20 5 CCBDMN C[N@@H+](CCn1cccn1)CCn1cc([N+](=O)[O-])cn1 ZINC000174857485 351108032 /nfs/dbraw/zinc/10/80/32/351108032.db2.gz WPFOVUITKINVFO-UHFFFAOYSA-N 0 1 264.289 0.620 20 5 CCBDMN Cc1ccc([C@H](C)NCC(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000181835771 351339280 /nfs/dbraw/zinc/33/92/80/351339280.db2.gz FABRXMLSGJNMKG-QMMMGPOBSA-N 0 1 280.284 0.749 20 5 CCBDMN CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000123372507 187087678 /nfs/dbraw/zinc/08/76/78/187087678.db2.gz GUTHHGRKPBVSMJ-BQBZGAKWSA-N 0 1 283.288 0.351 20 5 CCBDMN C[N@H+]1CC[C@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000234341712 352157352 /nfs/dbraw/zinc/15/73/52/352157352.db2.gz ORMUYWOSCVBUCY-SECBINFHSA-N 0 1 279.296 0.982 20 5 CCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](O)C1 ZINC000266912242 352731776 /nfs/dbraw/zinc/73/17/76/352731776.db2.gz LXTQDEHIQDABNC-MRVPVSSYSA-N 0 1 276.252 0.678 20 5 CCBDMN COCCN1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000270796839 352987164 /nfs/dbraw/zinc/98/71/64/352987164.db2.gz LHKDTKQFDMXMSO-UHFFFAOYSA-N 0 1 297.315 0.112 20 5 CCBDMN CNC(=O)[C@@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272468793 353067485 /nfs/dbraw/zinc/06/74/85/353067485.db2.gz DIZBARDYGNIEJF-NSHDSACASA-N 0 1 293.279 0.651 20 5 CCBDMN CNC(=O)CCCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272643615 353081893 /nfs/dbraw/zinc/08/18/93/353081893.db2.gz FAALJGNRUKTMRQ-UHFFFAOYSA-N 0 1 295.295 0.899 20 5 CCBDMN COCC[C@](C)(O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272665380 353084170 /nfs/dbraw/zinc/08/41/70/353084170.db2.gz IQYRGDPITDAIII-ZDUSSCGKSA-N 0 1 298.295 0.818 20 5 CCBDMN CCNC(=O)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC000277912429 353272413 /nfs/dbraw/zinc/27/24/13/353272413.db2.gz QWAUMHMVQDFSCM-UHFFFAOYSA-N 0 1 295.299 0.354 20 5 CCBDMN C[C@@H]1OCC[C@@]1(O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000279639846 353307030 /nfs/dbraw/zinc/30/70/30/353307030.db2.gz YYLDEPZOMRQUGI-ISVAXAHUSA-N 0 1 296.279 0.570 20 5 CCBDMN O=C(N[C@@H](CO)CC1CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000280286359 353353249 /nfs/dbraw/zinc/35/32/49/353353249.db2.gz QSONYOOSEGLAJY-MRVPVSSYSA-N 0 1 268.273 0.599 20 5 CCBDMN CCN(CCOCCO)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000282603791 353438552 /nfs/dbraw/zinc/43/85/52/353438552.db2.gz URXSQLONNZTUGF-UHFFFAOYSA-N 0 1 298.295 0.771 20 5 CCBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)O ZINC000293937802 353853252 /nfs/dbraw/zinc/85/32/52/353853252.db2.gz GRYJXCBHQXVRCI-ZETCQYMHSA-N 0 1 256.262 0.597 20 5 CCBDMN C[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000295946477 353925215 /nfs/dbraw/zinc/92/52/15/353925215.db2.gz LURZDZJENAWZBM-NYRNMGCKSA-N 0 1 267.285 0.587 20 5 CCBDMN CC[C@H](C)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000296018637 353927795 /nfs/dbraw/zinc/92/77/95/353927795.db2.gz OAPMGFOGJFFXFP-VIFPVBQESA-N 0 1 280.332 0.888 20 5 CCBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[NH+](C)C ZINC000299247238 354002388 /nfs/dbraw/zinc/00/23/88/354002388.db2.gz LLDQMEHKDVYAEH-SSDOTTSWSA-N 0 1 268.273 0.375 20 5 CCBDMN O=[N+]([O-])c1ccc(CN2CCC(O)(CO)CC2)cc1 ZINC000313646332 354217523 /nfs/dbraw/zinc/21/75/23/354217523.db2.gz VHSGHGCOBUSVFP-UHFFFAOYSA-N 0 1 266.297 0.914 20 5 CCBDMN CC[C@@]1(C)COCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330541697 354402207 /nfs/dbraw/zinc/40/22/07/354402207.db2.gz YGEUFRHYWARXBL-OLZOCXBDSA-N 0 1 298.343 0.653 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000425527916 235304997 /nfs/dbraw/zinc/30/49/97/235304997.db2.gz OPACOCQJEKHGIU-HBNTYKKESA-N 0 1 280.328 0.921 20 5 CCBDMN Cn1ccnc1[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000341715403 355721932 /nfs/dbraw/zinc/72/19/32/355721932.db2.gz FZJHESOSDPOVAB-VIFPVBQESA-N 0 1 290.283 0.933 20 5 CCBDMN CNC(=O)CC[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000353465961 356229073 /nfs/dbraw/zinc/22/90/73/356229073.db2.gz ZXJWEQURYCHKEQ-UHFFFAOYSA-N 0 1 267.285 0.868 20 5 CCBDMN CNC(=O)CC[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000353465961 356229077 /nfs/dbraw/zinc/22/90/77/356229077.db2.gz ZXJWEQURYCHKEQ-UHFFFAOYSA-N 0 1 267.285 0.868 20 5 CCBDMN Cn1nnc(CN=c2ccc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000362853420 138077131 /nfs/dbraw/zinc/07/71/31/138077131.db2.gz SNXSGODIAYVVFX-UHFFFAOYSA-N 0 1 285.267 0.701 20 5 CCBDMN O=[N+]([O-])c1ccc(N2CCN(CCCCO)CC2)cn1 ZINC000609120962 363473075 /nfs/dbraw/zinc/47/30/75/363473075.db2.gz NNNAUZYPNNFQCW-UHFFFAOYSA-N 0 1 280.328 0.884 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOCC23CC3)c1[N+](=O)[O-] ZINC000619821625 366360001 /nfs/dbraw/zinc/36/00/01/366360001.db2.gz YVFUNFNERXEIHI-UHFFFAOYSA-N 0 1 266.257 0.631 20 5 CCBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCc2[nH]nnc2C1 ZINC000359577392 356848599 /nfs/dbraw/zinc/84/85/99/356848599.db2.gz FDTNCLAZQICJDR-UHFFFAOYSA-N 0 1 287.279 0.840 20 5 CCBDMN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000373622205 357388895 /nfs/dbraw/zinc/38/88/95/357388895.db2.gz KNVRVUPZKLLYBQ-ILAIQSSSSA-N 0 1 282.296 0.452 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC(CO)CC2)c1[N+](=O)[O-] ZINC000408025551 357872865 /nfs/dbraw/zinc/87/28/65/357872865.db2.gz SHHUISWORJLDKB-UHFFFAOYSA-N 0 1 268.273 0.471 20 5 CCBDMN C[C@@H]1CN(CCO)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450956576 236124783 /nfs/dbraw/zinc/12/47/83/236124783.db2.gz RPMKYISPIZYQML-SNVBAGLBSA-N 0 1 266.301 0.493 20 5 CCBDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000408075334 357904716 /nfs/dbraw/zinc/90/47/16/357904716.db2.gz YVROBCYBCXSUMW-VHSXEESVSA-N 0 1 281.316 0.342 20 5 CCBDMN C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C)CN1C ZINC000408075347 357905061 /nfs/dbraw/zinc/90/50/61/357905061.db2.gz YVROBCYBCXSUMW-ZJUUUORDSA-N 0 1 281.316 0.342 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN2CCC1CC2 ZINC000408082842 357910413 /nfs/dbraw/zinc/91/04/13/357910413.db2.gz QZUSFCYMKVIBNI-UHFFFAOYSA-N 0 1 265.273 0.238 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)C[C@H]2C)c1[N+](=O)[O-] ZINC000408441089 358096058 /nfs/dbraw/zinc/09/60/58/358096058.db2.gz GUCDRTHIKVGRHD-RNFRBKRXSA-N 0 1 268.273 0.476 20 5 CCBDMN CCOC(=O)c1c[nH]c(NC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000585681927 359263588 /nfs/dbraw/zinc/26/35/88/359263588.db2.gz MBWYCMPOUUKRCA-UHFFFAOYSA-N 0 1 294.227 0.470 20 5 CCBDMN CN1CC2(C1)CCN(C(=O)c1ccc([N+](=O)[O-])cn1)C2 ZINC000590335604 359441528 /nfs/dbraw/zinc/44/15/28/359441528.db2.gz QNNNHWVZQSTYQB-UHFFFAOYSA-N 0 1 276.296 0.768 20 5 CCBDMN C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000590402352 359453993 /nfs/dbraw/zinc/45/39/93/359453993.db2.gz CUJUKROXXGXGCA-KWQFWETISA-N 0 1 294.311 0.860 20 5 CCBDMN O=[N+]([O-])c1cc2c(cc1CN[C@H]1C[C@@H](O)C1)OCCO2 ZINC000590663578 359504466 /nfs/dbraw/zinc/50/44/66/359504466.db2.gz GOIWMEQNKPYBLD-AOOOYVTPSA-N 0 1 280.280 0.979 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590971669 359544031 /nfs/dbraw/zinc/54/40/31/359544031.db2.gz DVAFUAXSHNBSSE-PWSUYJOCSA-N 0 1 266.301 0.902 20 5 CCBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1nn[nH]n1 ZINC000591529591 359598879 /nfs/dbraw/zinc/59/88/79/359598879.db2.gz WQTNMVCWDGPFAL-UHFFFAOYSA-N 0 1 276.256 0.655 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000611223237 363687014 /nfs/dbraw/zinc/68/70/14/363687014.db2.gz PQBHOSWQPDGWMC-UHFFFAOYSA-N 0 1 299.250 0.586 20 5 CCBDMN CCCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCN(C)C1 ZINC000592829744 359947542 /nfs/dbraw/zinc/94/75/42/359947542.db2.gz XMXQNLMGFKQZMB-JTQLQIEISA-N 0 1 295.343 0.885 20 5 CCBDMN C[C@@H]1[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1C ZINC000593187301 360051302 /nfs/dbraw/zinc/05/13/02/360051302.db2.gz IYMNGKTUWDXJCW-HBNTYKKESA-N 0 1 295.343 0.731 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1(CO)CC1 ZINC000594758562 360376865 /nfs/dbraw/zinc/37/68/65/360376865.db2.gz DCKCPHXZNRFSEJ-UHFFFAOYSA-N 0 1 287.297 0.041 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CCSC1 ZINC000594757012 360377035 /nfs/dbraw/zinc/37/70/35/360377035.db2.gz GIHKNSXOWFSITA-SSDOTTSWSA-N 0 1 289.338 0.774 20 5 CCBDMN C[C@@H](CCO)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594758432 360377044 /nfs/dbraw/zinc/37/70/44/360377044.db2.gz RDSDDMLPQWRHPQ-QMMMGPOBSA-N 0 1 289.313 0.287 20 5 CCBDMN CC[C@@H](CCO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756867 360377098 /nfs/dbraw/zinc/37/70/98/360377098.db2.gz CIDUKQFBIQMBGU-QMMMGPOBSA-N 0 1 289.313 0.429 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCOC1 ZINC000594765059 360379508 /nfs/dbraw/zinc/37/95/08/360379508.db2.gz ICJSTWQOHAPHIT-ZETCQYMHSA-N 0 1 273.270 0.057 20 5 CCBDMN CN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1COCCO1 ZINC000595736357 360634196 /nfs/dbraw/zinc/63/41/96/360634196.db2.gz FEZUGTRWYYJULY-NSHDSACASA-N 0 1 270.289 0.139 20 5 CCBDMN CN(Cc1cnc[nH]1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000596441933 360897215 /nfs/dbraw/zinc/89/72/15/360897215.db2.gz SCTRMHMEMDVLOW-UHFFFAOYSA-N 0 1 263.257 0.929 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598189686 361353056 /nfs/dbraw/zinc/35/30/56/361353056.db2.gz QPWLZTXVXJXVKD-JDICNCQASA-N 0 1 296.327 0.969 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC000598449059 361420868 /nfs/dbraw/zinc/42/08/68/361420868.db2.gz PXXXCHIBSDKKRY-SDBXPKJASA-N 0 1 296.327 0.971 20 5 CCBDMN C[C@H](F)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599313073 361648539 /nfs/dbraw/zinc/64/85/39/361648539.db2.gz DBQCVTXEHHABDA-LURJTMIESA-N 0 1 280.281 0.355 20 5 CCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC2(CC[NH2+]2)CC1 ZINC000564953175 291324640 /nfs/dbraw/zinc/32/46/40/291324640.db2.gz UPKZFAKAIGVIOL-UHFFFAOYSA-N 0 1 292.295 0.664 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@]2(C1)CCCOC2 ZINC000375309778 296073368 /nfs/dbraw/zinc/07/33/68/296073368.db2.gz NZJXXLCUOFVWQR-CKYFFXLPSA-N 0 1 254.286 0.681 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(C(C)(C)O)C2)c1[N+](=O)[O-] ZINC000275790728 193128608 /nfs/dbraw/zinc/12/86/08/193128608.db2.gz SMDVVFXYBRBPEV-UHFFFAOYSA-N 0 1 282.300 0.723 20 5 CCBDMN C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C(=O)[O-])C1 ZINC000566368881 291397838 /nfs/dbraw/zinc/39/78/38/291397838.db2.gz UQHZSJJZFWYJFM-ZJUUUORDSA-N 0 1 282.300 0.976 20 5 CCBDMN CCC(O)(CC)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000276415241 193321603 /nfs/dbraw/zinc/32/16/03/193321603.db2.gz IJUAQDUHVHUILI-UHFFFAOYSA-N 0 1 270.289 0.989 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CC2(O)CCC2)c1[N+](=O)[O-] ZINC000331893807 204271599 /nfs/dbraw/zinc/27/15/99/204271599.db2.gz ATBPBXJMMDRZNW-UHFFFAOYSA-N 0 1 268.273 0.613 20 5 CCBDMN C[C@@H]1CC[N@H+](C)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445002135 249027332 /nfs/dbraw/zinc/02/73/32/249027332.db2.gz YWICDATUXLWGCX-SECBINFHSA-N 0 1 294.311 0.862 20 5 CCBDMN C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445002135 249027334 /nfs/dbraw/zinc/02/73/34/249027334.db2.gz YWICDATUXLWGCX-SECBINFHSA-N 0 1 294.311 0.862 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000459625729 249048438 /nfs/dbraw/zinc/04/84/38/249048438.db2.gz BAPIWGBGSUECMO-CYBMUJFWSA-N 0 1 282.296 0.620 20 5 CCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459625729 249048441 /nfs/dbraw/zinc/04/84/41/249048441.db2.gz BAPIWGBGSUECMO-CYBMUJFWSA-N 0 1 282.296 0.620 20 5 CCBDMN CCN1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288328397 197051951 /nfs/dbraw/zinc/05/19/51/197051951.db2.gz IEISTPNTZYPHQI-VIFPVBQESA-N 0 1 294.311 0.862 20 5 CCBDMN O=C(Nc1nn[nH]n1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000524041946 285306594 /nfs/dbraw/zinc/30/65/94/285306594.db2.gz IFUAPQKWNODRPF-UHFFFAOYSA-N 0 1 292.211 0.131 20 5 CCBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN(C)C ZINC000012141571 388778624 /nfs/dbraw/zinc/77/86/24/388778624.db2.gz RUVJAQHARCXUDO-UHFFFAOYSA-N 0 1 287.341 0.743 20 5 CCBDMN CCOC(=O)CN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000072075637 388959906 /nfs/dbraw/zinc/95/99/06/388959906.db2.gz RVHZMVDJWZBTKY-UHFFFAOYSA-N 0 1 270.245 0.261 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(N2CCCN(CCO)CC2)n1 ZINC000128919045 389178399 /nfs/dbraw/zinc/17/83/99/389178399.db2.gz RAGFZRPBPCWHTR-UHFFFAOYSA-N 0 1 280.328 0.803 20 5 CCBDMN C[C@H](CN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000264435352 389328174 /nfs/dbraw/zinc/32/81/74/389328174.db2.gz VJPFDCXPUMEERJ-SECBINFHSA-N 0 1 295.347 0.015 20 5 CCBDMN C[C@@H](CO)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000159732498 389373150 /nfs/dbraw/zinc/37/31/50/389373150.db2.gz VTUJQXVIZCHWHU-SSDOTTSWSA-N 0 1 292.288 0.641 20 5 CCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000373404985 389480271 /nfs/dbraw/zinc/48/02/71/389480271.db2.gz NDZRDRKZUQKVTK-QCNRFFRDSA-N 0 1 254.286 0.678 20 5 CCBDMN C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1 ZINC000422828382 389484559 /nfs/dbraw/zinc/48/45/59/389484559.db2.gz AOWJTRJHMZYZGT-QMMMGPOBSA-N 0 1 264.285 0.611 20 5 CCBDMN COC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000163199863 389425854 /nfs/dbraw/zinc/42/58/54/389425854.db2.gz XMIVHFFWLFKTFK-ZCFIWIBFSA-N 0 1 292.251 0.762 20 5 CCBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ncnn1C ZINC000276867989 389548045 /nfs/dbraw/zinc/54/80/45/389548045.db2.gz LCOXPYZCKGBIMA-ZETCQYMHSA-N 0 1 291.267 0.920 20 5 CCBDMN O=c1[nH]ccc2c1CN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000276894432 389551408 /nfs/dbraw/zinc/55/14/08/389551408.db2.gz GUFXWHMYHIFJRA-UHFFFAOYSA-N 0 1 289.295 0.950 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC(=O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000281629776 389621219 /nfs/dbraw/zinc/62/12/19/389621219.db2.gz QAHRUENTUUDBDL-ZCFIWIBFSA-N 0 1 266.257 0.677 20 5 CCBDMN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000351874352 389705158 /nfs/dbraw/zinc/70/51/58/389705158.db2.gz ZVZDUGFBVRXTGD-WRWORJQWSA-N 0 1 290.279 0.924 20 5 CCBDMN O=C(NCC1(CO)CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000182291717 389705656 /nfs/dbraw/zinc/70/56/56/389705656.db2.gz LNVAIZFOIXPEIG-UHFFFAOYSA-N 0 1 254.246 0.210 20 5 CCBDMN C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)CN1CCO ZINC000419008325 389885876 /nfs/dbraw/zinc/88/58/76/389885876.db2.gz UAWLNACMYPHFPG-UWVGGRQHSA-N 0 1 283.332 0.220 20 5 CCBDMN NC(=O)c1cc([N+](=O)[O-])cnc1NCCN1CCC1 ZINC000443890512 389886718 /nfs/dbraw/zinc/88/67/18/389886718.db2.gz ALDBSQZIPAYTCF-UHFFFAOYSA-N 0 1 265.273 0.206 20 5 CCBDMN C[NH+](C)CCOCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445132578 389921358 /nfs/dbraw/zinc/92/13/58/389921358.db2.gz IFSUEYVUVJXJHC-UHFFFAOYSA-N 0 1 298.299 0.003 20 5 CCBDMN C[C@@H]1[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000445155102 389922023 /nfs/dbraw/zinc/92/20/23/389922023.db2.gz BCGHCSBAAPZBEO-PSASIEDQSA-N 0 1 294.311 0.908 20 5 CCBDMN C[C@@H]1[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000445155102 389922025 /nfs/dbraw/zinc/92/20/25/389922025.db2.gz BCGHCSBAAPZBEO-PSASIEDQSA-N 0 1 294.311 0.908 20 5 CCBDMN O=C(NCCN1CCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445142001 389922050 /nfs/dbraw/zinc/92/20/50/389922050.db2.gz MMTQILABBSAWFZ-UHFFFAOYSA-N 0 1 266.257 0.131 20 5 CCBDMN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000447247532 389949245 /nfs/dbraw/zinc/94/92/45/389949245.db2.gz ITMYILLFRAPRMC-ZCFIWIBFSA-N 0 1 279.343 0.672 20 5 CCBDMN CNC(=O)[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000420982180 390042752 /nfs/dbraw/zinc/04/27/52/390042752.db2.gz XMLLKUSRZIFURB-SECBINFHSA-N 0 1 279.296 0.868 20 5 CCBDMN CN(Cc1ccoc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438835599 390010780 /nfs/dbraw/zinc/01/07/80/390010780.db2.gz CMJKKPKAOWORJC-GFCCVEGCSA-N 0 1 280.284 0.877 20 5 CCBDMN CCc1nc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000479184183 390081423 /nfs/dbraw/zinc/08/14/23/390081423.db2.gz HICNWCHTHMKIGE-UHFFFAOYSA-N 0 1 265.233 0.111 20 5 CCBDMN CCc1n[nH]c(NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000479184183 390081424 /nfs/dbraw/zinc/08/14/24/390081424.db2.gz HICNWCHTHMKIGE-UHFFFAOYSA-N 0 1 265.233 0.111 20 5 CCBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000537597003 390180628 /nfs/dbraw/zinc/18/06/28/390180628.db2.gz QADIURHIUUYUQN-LURJTMIESA-N 0 1 262.229 0.599 20 5 CCBDMN Nc1ccc(NCCN2C[C@H]3CC[C@@H](C2)O3)nc1[N+](=O)[O-] ZINC000596262952 390368871 /nfs/dbraw/zinc/36/88/71/390368871.db2.gz KDLQXJOHUODQOT-AOOOYVTPSA-N 0 1 293.327 0.269 20 5 CCBDMN CC[C@H]1C[N@@H+](C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572562050 390789746 /nfs/dbraw/zinc/78/97/46/390789746.db2.gz IRUXSHNQNZAECW-AAEUAGOBSA-N 0 1 297.359 0.178 20 5 CCBDMN CO[C@@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@H]1O ZINC000456371754 533471184 /nfs/dbraw/zinc/47/11/84/533471184.db2.gz MQKRVHLEWTUILO-HTQZYQBOSA-N 0 1 298.299 0.273 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](CO)[C@H]2C)c1[N+](=O)[O-] ZINC000427848928 533663761 /nfs/dbraw/zinc/66/37/61/533663761.db2.gz YGWMZZFGMDTJSX-SFYZADRCSA-N 0 1 268.273 0.469 20 5 CCBDMN [NH3+]CC(F)(F)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000262316468 131211421 /nfs/dbraw/zinc/21/14/21/131211421.db2.gz DNRXYMUJPTVNDQ-UHFFFAOYSA-N 0 1 275.211 0.624 20 5 CCBDMN O=C(C[C@@H]1COCCN1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262546367 131231783 /nfs/dbraw/zinc/23/17/83/131231783.db2.gz OBXSFTGLCJEFNT-SNVBAGLBSA-N 0 1 291.307 0.862 20 5 CCBDMN NC(=O)[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269265607 132146330 /nfs/dbraw/zinc/14/63/30/132146330.db2.gz CZFNDBRCUWUSKW-MRVPVSSYSA-N 0 1 293.279 0.638 20 5 CCBDMN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000357907058 144132359 /nfs/dbraw/zinc/13/23/59/144132359.db2.gz HDSYSPXQPSWCPJ-SECBINFHSA-N 0 1 281.316 0.495 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H](O)C2(CC2)C1 ZINC000372300086 144360403 /nfs/dbraw/zinc/36/04/03/144360403.db2.gz GKGZANMKYIJBMU-NSHDSACASA-N 0 1 279.296 0.213 20 5 CCBDMN C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])c1nnc[nH]1 ZINC000548713290 286061309 /nfs/dbraw/zinc/06/13/09/286061309.db2.gz XRVCCJCBECXQER-YFKPBYRVSA-N 0 1 277.244 0.011 20 5 CCBDMN CCc1n[nH]c(NC(=O)c2c[nH]nc2[N+](=O)[O-])n1 ZINC000549217428 286089838 /nfs/dbraw/zinc/08/98/38/286089838.db2.gz YLDKREFVSSCKSU-UHFFFAOYSA-N 0 1 251.206 0.251 20 5 CCBDMN CCc1nc(NC(=O)c2c[nH]nc2[N+](=O)[O-])n[nH]1 ZINC000549217428 286089839 /nfs/dbraw/zinc/08/98/39/286089839.db2.gz YLDKREFVSSCKSU-UHFFFAOYSA-N 0 1 251.206 0.251 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000552536915 286169158 /nfs/dbraw/zinc/16/91/58/286169158.db2.gz ZNIXBBJFOPBEMA-MRVPVSSYSA-N 0 1 289.295 0.944 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(O)CC1 ZINC000049855406 411677386 /nfs/dbraw/zinc/67/73/86/411677386.db2.gz BYJCIUIMAHXIGU-UHFFFAOYSA-N 0 1 254.290 0.556 20 5 CCBDMN CC(C)CN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285109930 196197923 /nfs/dbraw/zinc/19/79/23/196197923.db2.gz UTTFHYMZOHAJMA-UHFFFAOYSA-N 0 1 281.316 0.732 20 5 CCBDMN Cc1ccc(NC(=O)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000043707775 175101064 /nfs/dbraw/zinc/10/10/64/175101064.db2.gz IIDYHVHPLILRCV-NSHDSACASA-N 0 1 265.269 0.830 20 5 CCBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CNCCO1 ZINC000043709240 175102301 /nfs/dbraw/zinc/10/23/01/175102301.db2.gz QRVKCTVPWOWNAB-LLVKDONJSA-N 0 1 265.269 0.199 20 5 CCBDMN O=C(NCc1ccn2ccnc2c1)c1n[nH]cc1[N+](=O)[O-] ZINC000179658005 260062522 /nfs/dbraw/zinc/06/25/22/260062522.db2.gz HAOWTCMGNVUNFA-UHFFFAOYSA-N 0 1 286.251 0.896 20 5 CCBDMN O=C(NCc1ccn2cc[nH+]c2c1)c1[n-]ncc1[N+](=O)[O-] ZINC000179658005 260062524 /nfs/dbraw/zinc/06/25/24/260062524.db2.gz HAOWTCMGNVUNFA-UHFFFAOYSA-N 0 1 286.251 0.896 20 5 CCBDMN C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C(=O)[O-] ZINC000424260167 533688868 /nfs/dbraw/zinc/68/88/68/533688868.db2.gz AXEKZQBHHGCOFZ-MWLCHTKSSA-N 0 1 282.300 0.976 20 5 CCBDMN CN(C)CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359649719 273793468 /nfs/dbraw/zinc/79/34/68/273793468.db2.gz REFRMYMGXIPBKQ-UHFFFAOYSA-N 0 1 279.296 0.877 20 5 CCBDMN CN1CCO[C@@H]2CN(c3ccncc3[N+](=O)[O-])C[C@H]21 ZINC000357618805 277125015 /nfs/dbraw/zinc/12/50/15/277125015.db2.gz OZNDCQOOYIYTAT-VXGBXAGGSA-N 0 1 264.285 0.509 20 5 CCBDMN CN1CCO[C@H]2CN(c3ccncc3[N+](=O)[O-])C[C@@H]21 ZINC000357618800 277131722 /nfs/dbraw/zinc/13/17/22/277131722.db2.gz OZNDCQOOYIYTAT-RYUDHWBXSA-N 0 1 264.285 0.509 20 5 CCBDMN COC(=O)C[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000423808711 533695183 /nfs/dbraw/zinc/69/51/83/533695183.db2.gz LCPDGHUETBRXLH-JTQLQIEISA-N 0 1 295.295 0.410 20 5 CCBDMN O=c1nc(C2CCN(c3ncc([N+](=O)[O-])cn3)CC2)[nH][nH]1 ZINC000281004363 304819274 /nfs/dbraw/zinc/81/92/74/304819274.db2.gz QAXSGBAWVPMWEB-UHFFFAOYSA-N 0 1 291.271 0.180 20 5 CCBDMN CC(=O)N[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157709401 519700696 /nfs/dbraw/zinc/70/06/96/519700696.db2.gz AAOJNNUMPOJRPL-NSHDSACASA-N 0 1 281.316 0.392 20 5 CCBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCC(N)=O ZINC000353183750 526146479 /nfs/dbraw/zinc/14/64/79/526146479.db2.gz QGEOXCNWBFVQIU-SECBINFHSA-N 0 1 294.311 0.729 20 5 CCBDMN O=C(N[C@@H]1CN(c2ccc(F)cc2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000363664776 526957940 /nfs/dbraw/zinc/95/79/40/526957940.db2.gz KKMSKWMLUCFCAW-GMTAPVOTSA-N 0 1 293.254 0.322 20 5 CCBDMN CCCNC(=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427927902 528371073 /nfs/dbraw/zinc/37/10/73/528371073.db2.gz APAZFHQHKGQDCT-UHFFFAOYSA-N 0 1 295.295 0.947 20 5 CCBDMN CCN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356453353 535581013 /nfs/dbraw/zinc/58/10/13/535581013.db2.gz ZNVPKMRUPFDLEE-VIFPVBQESA-N 0 1 281.316 0.542 20 5 CCBDMN CCC[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1nn[nH]n1 ZINC000347508651 535694426 /nfs/dbraw/zinc/69/44/26/535694426.db2.gz IAWUARCLMCBNQQ-LURJTMIESA-N 0 1 294.275 0.113 20 5 CCBDMN CCc1n[nH]c(C(=O)N[C@@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC000351671203 536004911 /nfs/dbraw/zinc/00/49/11/536004911.db2.gz BUPDMCUZKVFODA-YFKPBYRVSA-N 0 1 279.260 0.489 20 5 CCBDMN CC[S@@](=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780501387 581231173 /nfs/dbraw/zinc/23/11/73/581231173.db2.gz QVJKLVQGHCYMOD-LJQANCHMSA-N 0 1 286.309 0.799 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782620840 581314959 /nfs/dbraw/zinc/31/49/59/581314959.db2.gz MATBIGMFVUCLBV-GXSJLCMTSA-N 0 1 252.274 0.106 20 5 CCBDMN O=C(N[C@@H]1CCCC2(C1)OCCO2)c1n[nH]cc1[N+](=O)[O-] ZINC000782858014 581322774 /nfs/dbraw/zinc/32/27/74/581322774.db2.gz PWSOTKDVFQWWHO-MRVPVSSYSA-N 0 1 296.283 0.733 20 5 CCBDMN Cc1nc(COC(=O)c2cccc([N+](=O)[O-])c2N)n[nH]1 ZINC000795458119 581408429 /nfs/dbraw/zinc/40/84/29/581408429.db2.gz LADVKKYKYCYFPS-UHFFFAOYSA-N 0 1 277.240 0.961 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC(O)(C(C)C)C2)c1[N+](=O)[O-] ZINC000765564173 581524855 /nfs/dbraw/zinc/52/48/55/581524855.db2.gz FZDVTBNPPJZRMP-UHFFFAOYSA-N 0 1 268.273 0.469 20 5 CCBDMN C[S@@](=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000770416861 581742389 /nfs/dbraw/zinc/74/23/89/581742389.db2.gz IDBLSHAMIKKSJH-GOSISDBHSA-N 0 1 272.282 0.409 20 5 CCBDMN Cc1nc(COC(=O)CCn2cc([N+](=O)[O-])nc2C)n[nH]1 ZINC000770636021 581758511 /nfs/dbraw/zinc/75/85/11/581758511.db2.gz NMMFOXPSJYLMNO-UHFFFAOYSA-N 0 1 294.271 0.660 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CCCNC(=O)C2)c1[N+](=O)[O-] ZINC000771429635 581802740 /nfs/dbraw/zinc/80/27/40/581802740.db2.gz AIZJNOARLOTIDY-UHFFFAOYSA-N 0 1 295.299 0.403 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOCC[C@@H]2C)c1[N+](=O)[O-] ZINC000775597579 582031522 /nfs/dbraw/zinc/03/15/22/582031522.db2.gz IUNYHEUQQPELFH-ZETCQYMHSA-N 0 1 268.273 0.877 20 5 CCBDMN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(CO)CO ZINC000776586061 582082386 /nfs/dbraw/zinc/08/23/86/582082386.db2.gz INVBVJFBUANVJK-ZDUSSCGKSA-N 0 1 298.339 0.551 20 5 CCBDMN O=C([O-])[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000819240073 601113267 /nfs/dbraw/zinc/11/32/67/601113267.db2.gz SUQASXRJUUTEFH-SECBINFHSA-N 0 1 254.246 0.340 20 5 CCBDMN O=[N+]([O-])c1cnc(NCCN2CCC2)c(-c2nn[nH]n2)c1 ZINC000826500892 607734480 /nfs/dbraw/zinc/73/44/80/607734480.db2.gz QQOZZRJSVIFRHK-UHFFFAOYSA-N 0 1 290.287 0.288 20 5 CCBDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000833834325 605888264 /nfs/dbraw/zinc/88/82/64/605888264.db2.gz NHNZPAWZSCTPPF-VHSXEESVSA-N 0 1 297.315 0.769 20 5 CCBDMN COc1cc([N+](=O)[O-])cnc1NCCN1CCN(C)CC1 ZINC000891620358 617218014 /nfs/dbraw/zinc/21/80/14/617218014.db2.gz WPOIVCICQWEWTC-UHFFFAOYSA-N 0 1 295.343 0.658 20 5 CCBDMN CC(C)(C)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1O ZINC000839722289 614026569 /nfs/dbraw/zinc/02/65/69/614026569.db2.gz YDRYVTOKLFTMBA-GWOFURMSSA-N 0 1 270.329 0.907 20 5 CCBDMN CC(C)(CCc1noc(C[C@H]2COCCN2)n1)[N+](=O)[O-] ZINC000823234602 614087009 /nfs/dbraw/zinc/08/70/09/614087009.db2.gz JXPYDNBZCGVRTF-VIFPVBQESA-N 0 1 284.316 0.588 20 5 CCBDMN CC(=O)N1CC(OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000836036141 613777243 /nfs/dbraw/zinc/77/72/43/613777243.db2.gz VDYHQDPVPVMTBO-UHFFFAOYSA-N 0 1 253.214 0.310 20 5 CCBDMN CC(C)(C)N(CCS(C)(=O)=O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841179324 613923292 /nfs/dbraw/zinc/92/32/92/613923292.db2.gz OREMHXFUSBPNTA-RKDXNWHRSA-N 0 1 292.357 0.323 20 5 CCBDMN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839680864 613979556 /nfs/dbraw/zinc/97/95/56/613979556.db2.gz OQCMVNWBEOAIMR-IVZWLZJFSA-N 0 1 299.327 0.777 20 5 CCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)CS(=O)(=O)CC ZINC000839680585 614652197 /nfs/dbraw/zinc/65/21/97/614652197.db2.gz JVCBJXHDBWRKHI-IVZWLZJFSA-N 0 1 292.357 0.323 20 5 CCBDMN CC1(NC(=O)C2CC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956253768 614914710 /nfs/dbraw/zinc/91/47/10/614914710.db2.gz LTTWXRHRGSIYMS-GHMZBOCLSA-N 0 1 295.339 0.559 20 5 CCBDMN CCN(C[C@H](O)C(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839731188 615065749 /nfs/dbraw/zinc/06/57/49/615065749.db2.gz MJDJMRWCOBIVBL-QYNIQEEDSA-N 0 1 270.207 0.423 20 5 CCBDMN CCOC(=O)C1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839564395 615166708 /nfs/dbraw/zinc/16/67/08/615166708.db2.gz UEWHRQFLROPJEL-JPPWEJMLSA-N 0 1 284.312 0.890 20 5 CCBDMN CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856306990 615330102 /nfs/dbraw/zinc/33/01/02/615330102.db2.gz IISGIWYELJVLJE-PRFIWBCESA-N 0 1 284.312 0.890 20 5 CCBDMN CC[C@@](C)(CC(=O)OC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840380582 615588525 /nfs/dbraw/zinc/58/85/25/615588525.db2.gz AAOCKIRBIKLXEF-XLDPMVHQSA-N 0 1 258.274 0.500 20 5 CCBDMN CCn1nccc1CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842343372 615724820 /nfs/dbraw/zinc/72/48/20/615724820.db2.gz XDIZAXXYKJDXKD-NXEZZACHSA-N 0 1 253.258 0.654 20 5 CCBDMN CN(C(=O)C1(C)CCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954971303 615785089 /nfs/dbraw/zinc/78/50/89/615785089.db2.gz VGQCWXAFPHVZLO-GHMZBOCLSA-N 0 1 295.339 0.511 20 5 CCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000839717791 615808092 /nfs/dbraw/zinc/80/80/92/615808092.db2.gz KIXOFEOWJCEANI-UCROKIRRSA-N 0 1 270.207 0.470 20 5 CCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000882465414 615808171 /nfs/dbraw/zinc/80/81/71/615808171.db2.gz YEPCOMWJZMNZEN-ZRUFSTJUSA-N 0 1 256.302 0.973 20 5 CCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839471559 616094444 /nfs/dbraw/zinc/09/44/44/616094444.db2.gz YALHOTXZFAAOLX-VXGBXAGGSA-N 0 1 263.297 0.904 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855640925 616163674 /nfs/dbraw/zinc/16/36/74/616163674.db2.gz HBTAYAWIEUFXGH-UHFFFAOYSA-N 0 1 296.302 0.950 20 5 CCBDMN CN1C[C@@H](O)C[C@@]1(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000900404247 616320346 /nfs/dbraw/zinc/32/03/46/616320346.db2.gz ZJJZRUJIUONROS-JSGCOSHPSA-N 0 1 293.323 0.666 20 5 CCBDMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000913537431 616366231 /nfs/dbraw/zinc/36/62/31/616366231.db2.gz FQWVZYYKXIYAGJ-PHIMTYICSA-N 0 1 293.327 0.486 20 5 CCBDMN COCCN1CC[C@@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000892413613 616406735 /nfs/dbraw/zinc/40/67/35/616406735.db2.gz JBSIPBLRSZOVLF-SECBINFHSA-N 0 1 269.305 0.461 20 5 CCBDMN COC(=O)C1=CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000862656753 616429284 /nfs/dbraw/zinc/42/92/84/616429284.db2.gz SFNFFNVVFOCKSM-DJLDLDEBSA-N 0 1 254.242 0.030 20 5 CCBDMN COCCN1[C@H](C)CN(c2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000826629060 616481467 /nfs/dbraw/zinc/48/14/67/616481467.db2.gz KJJDOVRBRUCFOF-PHIMTYICSA-N 0 1 297.359 0.874 20 5 CCBDMN COC(=O)[C@H]1CCC[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842343423 616659372 /nfs/dbraw/zinc/65/93/72/616659372.db2.gz NECXODHTPFBZSJ-AXTSPUMRSA-N 0 1 271.269 0.927 20 5 CCBDMN COC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1N ZINC000840443385 616931157 /nfs/dbraw/zinc/93/11/57/616931157.db2.gz ZAZJPDWYGNYKNK-VXNVDRBHSA-N 0 1 279.252 0.659 20 5 CCBDMN COC[C@@H]1C[C@@H](O)CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844393223 616991489 /nfs/dbraw/zinc/99/14/89/616991489.db2.gz PLFVCFMMFXODDP-MJBXVCDLSA-N 0 1 296.323 0.710 20 5 CCBDMN CON1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000846977332 617091747 /nfs/dbraw/zinc/09/17/47/617091747.db2.gz UTOCXHZHSHBOBK-UHFFFAOYSA-N 0 1 267.285 0.979 20 5 CCBDMN C[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CCN1CC(C)(C)O ZINC000893372997 625614580 /nfs/dbraw/zinc/61/45/80/625614580.db2.gz BEQYBYBFOKCQLY-JTQLQIEISA-N 0 1 297.359 0.610 20 5 CCBDMN C[C@]1(C2CC2)COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000890591388 624497786 /nfs/dbraw/zinc/49/77/86/624497786.db2.gz OURJDRJBUQKYTL-CKYFFXLPSA-N 0 1 254.286 0.679 20 5 CCBDMN O=C(CC1CC1)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979739234 630958429 /nfs/dbraw/zinc/95/84/29/630958429.db2.gz NVLBVDLAHCLRNX-DDHJBXDOSA-N 0 1 295.339 0.463 20 5 CCBDMN Cc1cccc(OC[C@@H](O)CNCC[N+](=O)[O-])c1 ZINC000905341177 634850416 /nfs/dbraw/zinc/85/04/16/634850416.db2.gz KQVPLBBXAUWQCB-NSHDSACASA-N 0 1 254.286 0.601 20 5 CCBDMN C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1CN(C)CCN1C ZINC000895248173 632032024 /nfs/dbraw/zinc/03/20/24/632032024.db2.gz JINKEWCKNFBWLV-GXSJLCMTSA-N 0 1 280.332 0.431 20 5 CCBDMN C[C@@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895249114 632035840 /nfs/dbraw/zinc/03/58/40/632035840.db2.gz OSYMCOZSNXHPOB-MWLCHTKSSA-N 0 1 295.343 0.742 20 5 CCBDMN Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000990156351 633469533 /nfs/dbraw/zinc/46/95/33/633469533.db2.gz ROYBIBVLXCLCQT-NXEZZACHSA-N 0 1 293.279 0.194 20 5 CCBDMN O=C1COc2ccccc2CN1CCNCC[N+](=O)[O-] ZINC000905516615 634873673 /nfs/dbraw/zinc/87/36/73/634873673.db2.gz MUROBRXNHQONER-UHFFFAOYSA-N 0 1 279.296 0.274 20 5 CCBDMN Cc1ccn2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nc2c1 ZINC000839568368 640344187 /nfs/dbraw/zinc/34/41/87/640344187.db2.gz YIBPWZRALKSFQI-GHMZBOCLSA-N 0 1 274.280 0.924 20 5 CCBDMN O=C(N[C@@H](CCO)c1ccco1)[C@@H]1CC1[N+](=O)[O-] ZINC000839727626 640358225 /nfs/dbraw/zinc/35/82/25/640358225.db2.gz DULUASNXBCJMNU-HRDYMLBCSA-N 0 1 254.242 0.485 20 5 CCBDMN Cn1cc([C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C(F)(F)F)cn1 ZINC000839746658 640360665 /nfs/dbraw/zinc/36/06/65/640360665.db2.gz ZFSUJHBNKFRKJG-BWZBUEFSSA-N 0 1 292.217 0.805 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H](C(F)F)C1 ZINC000839759515 640363128 /nfs/dbraw/zinc/36/31/28/640363128.db2.gz NZPKNEFIILNPRB-QYNIQEEDSA-N 0 1 250.201 0.144 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@@H]1CCO ZINC000809764762 640907002 /nfs/dbraw/zinc/90/70/02/640907002.db2.gz HWFKZEFSMCGGKE-NSHDSACASA-N 0 1 282.296 0.884 20 5 CCBDMN C[C@H](C[C@H](O)c1ccco1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840396703 641428211 /nfs/dbraw/zinc/42/82/11/641428211.db2.gz RATQVGQLFLLAOK-KYXWUPHJSA-N 0 1 268.269 0.873 20 5 CCBDMN CCCC(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001017443868 650803340 /nfs/dbraw/zinc/80/33/40/650803340.db2.gz OLYPJMBZVCJWGF-VXGBXAGGSA-N 0 1 295.339 0.727 20 5 CCBDMN O=C(Nc1cccc2[nH]c(=O)[nH]c21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000848099454 643596483 /nfs/dbraw/zinc/59/64/83/643596483.db2.gz RIXMTCFNDBKSEN-SVGQVSJJSA-N 0 1 262.225 0.872 20 5 CCBDMN NC(=O)CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC000856305478 644408636 /nfs/dbraw/zinc/40/86/36/644408636.db2.gz QLSSXGSXVANQII-NXEZZACHSA-N 0 1 283.328 0.594 20 5 CCBDMN Nc1ccc([N+](=O)[O-])c(NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000858867589 644655945 /nfs/dbraw/zinc/65/59/45/644655945.db2.gz QBKYJRQHLOFMCG-JTQLQIEISA-N 0 1 266.301 0.656 20 5 CCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)OCCN1CCC1 ZINC000861385586 644875325 /nfs/dbraw/zinc/87/53/25/644875325.db2.gz TYGLCWPHTGZXKX-UHFFFAOYSA-N 0 1 254.246 0.040 20 5 CCBDMN O=C(N[C@@H]([C@@H]1CCOC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000885524952 647860024 /nfs/dbraw/zinc/86/00/24/647860024.db2.gz NLZGPGBTTIZJBO-XUTVFYLZSA-N 0 1 282.218 0.735 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1CC1CC1 ZINC000886473231 647981367 /nfs/dbraw/zinc/98/13/67/647981367.db2.gz SKXHPLQBYADZDA-HBNTYKKESA-N 0 1 254.286 0.679 20 5 CCBDMN CN1CCO[C@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@H]21 ZINC001164668032 719371548 /nfs/dbraw/zinc/37/15/48/719371548.db2.gz MUWOAWZOQFIEHK-MNOVXSKESA-N 0 1 264.285 0.509 20 5 CCBDMN O=C(OC[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001122792125 799296715 /nfs/dbraw/zinc/29/67/15/799296715.db2.gz YZZQLIKMLAKRSW-FXBDTBDDSA-N 0 1 268.269 0.206 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(F)(F)[C@H](CO)C1 ZINC001159411163 801800703 /nfs/dbraw/zinc/80/07/03/801800703.db2.gz CMNDKVVLUHDIBM-XLPZGREQSA-N 0 1 264.228 0.128 20 5 CCBDMN O=C1NC(=O)[C@H](Nc2ccc3ncc([N+](=O)[O-])n3c2)S1 ZINC001163667312 802588304 /nfs/dbraw/zinc/58/83/04/802588304.db2.gz REHCNBWEPPXINU-SECBINFHSA-N 0 1 293.264 0.964 20 5 CCBDMN COCc1nn(-c2nc(C)ncc2[N+](=O)[O-])c2c1CNC2 ZINC001165631683 802858036 /nfs/dbraw/zinc/85/80/36/802858036.db2.gz FQHRPNBAJXXXSS-UHFFFAOYSA-N 0 1 290.283 0.629 20 5 CCBDMN Cc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC001209834660 803631802 /nfs/dbraw/zinc/63/18/02/803631802.db2.gz GYWWMFUGERDLCY-UHFFFAOYSA-N 0 1 297.296 0.500 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(OC2CC(O)C2)cc1O ZINC001218257982 803943475 /nfs/dbraw/zinc/94/34/75/803943475.db2.gz LPVUUWAFHRGELF-UHFFFAOYSA-N 0 1 283.236 0.989 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C/C=C\Cl)C1 ZINC001042710223 815069882 /nfs/dbraw/zinc/06/98/82/815069882.db2.gz AIXPFXYFJRRKIQ-JAFKPYBISA-N 0 1 273.720 0.547 20 5 CCBDMN C[C@H](C[N+](C)(C)C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228142193 805418642 /nfs/dbraw/zinc/41/86/42/805418642.db2.gz ZVDTUAKUUUGJCV-SSDOTTSWSA-O 0 1 257.270 0.564 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(OC2COC2)cc1O ZINC001228810295 805481358 /nfs/dbraw/zinc/48/13/58/805481358.db2.gz JFNATTDQLLADSL-UHFFFAOYSA-N 0 1 269.209 0.865 20 5 CCBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCOC[C@@H](O)C1)C2 ZINC001254594998 808264772 /nfs/dbraw/zinc/26/47/72/808264772.db2.gz UQMQNDVHRDDHES-KGLIPLIRSA-N 0 1 278.308 0.755 20 5 CCBDMN O=C(NC1CN(CC2CC(F)(F)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030293723 815961109 /nfs/dbraw/zinc/96/11/09/815961109.db2.gz QGAYBATVLXCCMT-NXEZZACHSA-N 0 1 289.282 0.497 20 5 CCBDMN Cc1nc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)o1 ZINC001030293055 815962463 /nfs/dbraw/zinc/96/24/63/815962463.db2.gz FNRAZUPSHHQAPT-ZYHUDNBSSA-N 0 1 294.311 0.257 20 5 CCBDMN O=C(NC1CN(C/C(Cl)=C\Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292673 815962560 /nfs/dbraw/zinc/96/25/60/815962560.db2.gz ROCOHEPZNPWCMP-DNBSWFBXSA-N 0 1 294.138 0.771 20 5 CCBDMN O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCC[P@@](=O)([O-])O)C1 ZINC001168976345 836075527 /nfs/dbraw/zinc/07/55/27/836075527.db2.gz CZPWPXJICVOWOL-UWVGGRQHSA-N 0 1 280.261 0.979 20 5 CCBDMN NC(=O)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030359 836107268 /nfs/dbraw/zinc/10/72/68/836107268.db2.gz ZBPMCPIHCPMOQG-NXEZZACHSA-N 0 1 256.306 0.128 20 5 CCBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3ncncn3)CC2)C1 ZINC001169046913 836116336 /nfs/dbraw/zinc/11/63/36/836116336.db2.gz OHIHYJQRNYPERB-NEPJUHHUSA-N 0 1 292.343 0.439 20 5 CCBDMN COc1nc(C)nc(NC[C@H]2COCCN2)c1[N+](=O)[O-] ZINC001170036227 836754961 /nfs/dbraw/zinc/75/49/61/836754961.db2.gz WBDYAQVWBOBVCV-QMMMGPOBSA-N 0 1 283.288 0.102 20 5 CCBDMN O=[N+]([O-])c1cnc2cccc(NC[C@H]3COCCN3)n21 ZINC001170045515 836784365 /nfs/dbraw/zinc/78/43/65/836784365.db2.gz BQECXZXNGKDOOM-VIFPVBQESA-N 0 1 277.284 0.643 20 5 CCBDMN COC(=O)c1ncc([N+](=O)[O-])cc1NC[C@@H]1COCCN1 ZINC001170046680 836788226 /nfs/dbraw/zinc/78/82/26/836788226.db2.gz GCBHPOOLAXNRRQ-MRVPVSSYSA-N 0 1 296.283 0.177 20 5 CCBDMN Nc1nccc(C(=O)NCc2cnc[nH]2)c1[N+](=O)[O-] ZINC001136880004 839797773 /nfs/dbraw/zinc/79/77/73/839797773.db2.gz CDXRZHCFGNLVAJ-UHFFFAOYSA-N 0 1 262.229 0.225 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2ncn[nH]2)c1 ZINC001093793301 841459005 /nfs/dbraw/zinc/45/90/05/841459005.db2.gz MQIHYXWASORION-UHFFFAOYSA-N 0 1 290.283 0.863 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2nc[nH]n2)c1 ZINC001093793301 841459008 /nfs/dbraw/zinc/45/90/08/841459008.db2.gz MQIHYXWASORION-UHFFFAOYSA-N 0 1 290.283 0.863 20 5 CCBDMN COC[C@@](C)(CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001175285097 842237576 /nfs/dbraw/zinc/23/75/76/842237576.db2.gz WJXYQSFYKRVNAA-CYBMUJFWSA-N 0 1 297.311 0.520 20 5 CCBDMN O=C(N[C@H](CCO)C1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001116600662 855795629 /nfs/dbraw/zinc/79/56/29/855795629.db2.gz ZSWFXIPKMOVEFJ-SECBINFHSA-N 0 1 298.299 0.225 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H](c2nc[nH]n2)C1 ZINC001118947184 856503311 /nfs/dbraw/zinc/50/33/11/856503311.db2.gz BNKLSGWLUNOWSD-ZETCQYMHSA-N 0 1 276.256 0.671 20 5 CCBDMN C[N@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC001326420674 913945511 /nfs/dbraw/zinc/94/55/11/913945511.db2.gz GQHAOAPWFLFTIL-SECBINFHSA-N 0 1 280.284 0.442 20 5 CCBDMN Cc1nc([C@H](C)NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n[nH]1 ZINC001326474971 913978068 /nfs/dbraw/zinc/97/80/68/913978068.db2.gz JZXREYIXKKULHK-LURJTMIESA-N 0 1 293.287 0.554 20 5 CCBDMN CCC1(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001283246421 904778197 /nfs/dbraw/zinc/77/81/97/904778197.db2.gz UYABJROGPWFPFL-GHMZBOCLSA-N 0 1 297.355 0.854 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)C[C@@H](O)CCO2 ZINC001334008079 906145596 /nfs/dbraw/zinc/14/55/96/906145596.db2.gz AYTAEDBMCONHNA-HBNTYKKESA-N 0 1 284.312 0.184 20 5 CCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CCC1 ZINC001296064628 906860171 /nfs/dbraw/zinc/86/01/71/906860171.db2.gz GSXUCEAZJIXISG-NXEZZACHSA-N 0 1 269.301 0.026 20 5 CCBDMN CCc1ncc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])[nH]1 ZINC001303974244 908131188 /nfs/dbraw/zinc/13/11/88/908131188.db2.gz DMDSIOHBSRUSGC-UHFFFAOYSA-N 0 1 290.283 0.788 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H]1CO ZINC001304073153 908141009 /nfs/dbraw/zinc/14/10/09/908141009.db2.gz BFSVTFCSRZYUIS-QMMMGPOBSA-N 0 1 252.226 0.507 20 5 CCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cnc[nH]2)nc1 ZINC001309726930 908472014 /nfs/dbraw/zinc/47/20/14/908472014.db2.gz PNLJCNCCOQSOIF-UHFFFAOYSA-N 0 1 283.269 0.191 20 5 CCBDMN CC(C)c1n[nH]c(NC(=O)c2c([N+](=O)[O-])cnn2C)n1 ZINC001319652854 910245341 /nfs/dbraw/zinc/24/53/41/910245341.db2.gz WAIQCKDZBSSQJU-UHFFFAOYSA-N 0 1 279.260 0.822 20 5 CCBDMN CC(C)c1nc(NC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC001319652854 910245353 /nfs/dbraw/zinc/24/53/53/910245353.db2.gz WAIQCKDZBSSQJU-UHFFFAOYSA-N 0 1 279.260 0.822 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CN2CCC1CC2 ZINC001339141572 921663645 /nfs/dbraw/zinc/66/36/45/921663645.db2.gz LZEWQAIBSPVLJP-NSHDSACASA-N 0 1 293.327 0.310 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)Cc1nnc[nH]1 ZINC001322321212 911761040 /nfs/dbraw/zinc/76/10/40/911761040.db2.gz VMSNOWAPAFLFFY-UHFFFAOYSA-N 0 1 293.287 0.267 20 5 CCBDMN Cc1[nH]ncc1CCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC001329656847 916105458 /nfs/dbraw/zinc/10/54/58/916105458.db2.gz MQQPOXFWHKHPDL-UHFFFAOYSA-N 0 1 292.299 0.722 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1NCc1n[nH]c([C@H]2CCCO2)n1 ZINC001332985555 918581649 /nfs/dbraw/zinc/58/16/49/918581649.db2.gz PYBONBSPMQHSFY-SSDOTTSWSA-N 0 1 293.287 0.910 20 5 CCBDMN COC[C@H]1CNCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC001341624753 922588149 /nfs/dbraw/zinc/58/81/49/922588149.db2.gz ZZYUDYNNWCTCBB-CYBMUJFWSA-N 0 1 293.323 0.964 20 5 CCBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCNC(=O)C1 ZINC001345987031 924034106 /nfs/dbraw/zinc/03/41/06/924034106.db2.gz GCMVOXRZRWIOGY-RBXMUDONSA-N 0 1 256.258 0.110 20 5 CCBDMN O=C(NCC=CCO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001300568183 926069618 /nfs/dbraw/zinc/06/96/18/926069618.db2.gz YCAYSLGWACJMPH-OWOJBTEDSA-N 0 1 276.252 0.749 20 5 CCBDMN CCN(CCNC(=O)CCCF)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001356170065 926351330 /nfs/dbraw/zinc/35/13/30/926351330.db2.gz ACZZCSJQNXHLQR-NXEZZACHSA-N 0 1 289.307 0.366 20 5 CCBDMN CN(C)C(=O)c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001360368904 926944708 /nfs/dbraw/zinc/94/47/08/926944708.db2.gz QWZFCFWWEUQKID-PSASIEDQSA-N 0 1 278.268 0.387 20 5 CCBDMN CCC[N@@H+](CC(=O)[O-])Cc1cn(C)nc1[N+](=O)[O-] ZINC001595856216 982788089 /nfs/dbraw/zinc/78/80/89/982788089.db2.gz NZBRKZMFHCEDHD-UHFFFAOYSA-N 0 1 256.262 0.625 20 5 CCBDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC001594167371 998645258 /nfs/dbraw/zinc/64/52/58/998645258.db2.gz PDEKUZDIDXAMSQ-CBAPKCEASA-N 0 1 268.273 0.623 20 5 CCBDMN COC(=O)COCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600398901 361946546 /nfs/dbraw/zinc/94/65/46/361946546.db2.gz VZRWHPOVQXFSGK-UHFFFAOYSA-N 0 1 298.251 0.220 20 5 CCBDMN Cc1nnc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)[nH]1 ZINC000103257804 349695313 /nfs/dbraw/zinc/69/53/13/349695313.db2.gz MQOICLBPNAQLKW-UHFFFAOYSA-N 0 1 279.260 0.555 20 5 CCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCN1CC[C@H](O)C1 ZINC000600807473 362064019 /nfs/dbraw/zinc/06/40/19/362064019.db2.gz HLYPYPDBCDZOCA-ZDUSSCGKSA-N 0 1 293.323 0.320 20 5 CCBDMN COC[C@]1(C)CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CCO1 ZINC000600808721 362066150 /nfs/dbraw/zinc/06/61/50/362066150.db2.gz QDHVDPRZYHQVMT-LBPRGKRZSA-N 0 1 298.299 0.504 20 5 CCBDMN C[C@H]1CNCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000126418393 187238234 /nfs/dbraw/zinc/23/82/34/187238234.db2.gz JUQFTCIYAHWSPC-VIFPVBQESA-N 0 1 267.289 0.002 20 5 CCBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1COC[C@H]1O ZINC000601291882 362205662 /nfs/dbraw/zinc/20/56/62/362205662.db2.gz PATCRYNHEMPLFZ-NTZNESFSSA-N 0 1 264.281 0.931 20 5 CCBDMN C[NH+](C)C[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000298519260 232005510 /nfs/dbraw/zinc/00/55/10/232005510.db2.gz VQEBDYAGKMLCRE-SNVBAGLBSA-N 0 1 294.311 0.862 20 5 CCBDMN CN1CCCC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000602123187 362505670 /nfs/dbraw/zinc/50/56/70/362505670.db2.gz HYRCEWZVGMGWGV-NSHDSACASA-N 0 1 281.316 0.392 20 5 CCBDMN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCNCC1 ZINC000602420770 362608046 /nfs/dbraw/zinc/60/80/46/362608046.db2.gz GBVUXDHGQVVZEJ-UHFFFAOYSA-N 0 1 253.233 0.779 20 5 CCBDMN C[C@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CNCCO1 ZINC000602439831 362618388 /nfs/dbraw/zinc/61/83/88/362618388.db2.gz LKDAQWKLUQLKHN-CYBMUJFWSA-N 0 1 279.296 0.590 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCCOCC1 ZINC000602764564 362788852 /nfs/dbraw/zinc/78/88/52/362788852.db2.gz DHGGBPIPAIETGV-UHFFFAOYSA-N 0 1 254.290 0.822 20 5 CCBDMN C[C@H]1[C@H](C)N(Cc2cn(C)nc2[N+](=O)[O-])CCN1C ZINC000602798124 362805833 /nfs/dbraw/zinc/80/58/33/362805833.db2.gz MUUITNMUNUIJDO-UWVGGRQHSA-N 0 1 267.333 0.853 20 5 CCBDMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000262252244 137033336 /nfs/dbraw/zinc/03/33/36/137033336.db2.gz ZKYAZKIXBHXMHD-GXFFZTMASA-N 0 1 294.311 0.978 20 5 CCBDMN C[C@@H]1C[C@@H](O)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000340903461 137085894 /nfs/dbraw/zinc/08/58/94/137085894.db2.gz IIHZQKFTOGMVAS-LDYMZIIASA-N 0 1 279.296 0.649 20 5 CCBDMN O=C(NCc1nccs1)c1n[nH]cc1[N+](=O)[O-] ZINC000343133572 137117267 /nfs/dbraw/zinc/11/72/67/137117267.db2.gz PZKBCAPFBQIZEN-UHFFFAOYSA-N 0 1 253.243 0.704 20 5 CCBDMN C[C@@H]1C[C@@H](O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000408292541 137861843 /nfs/dbraw/zinc/86/18/43/137861843.db2.gz CZEWWMKYQXIQFH-RDDDGLTNSA-N 0 1 266.253 0.896 20 5 CCBDMN Cn1c(C(=O)N[C@@H]2CCc3nc[nH]c3C2)ccc1[N+](=O)[O-] ZINC000344347770 137189594 /nfs/dbraw/zinc/18/95/94/137189594.db2.gz OKGCVTKGTCOSSY-MRVPVSSYSA-N 0 1 289.295 0.944 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000344976415 137225242 /nfs/dbraw/zinc/22/52/42/137225242.db2.gz KZRYIFLNVKVXGP-RXMQYKEDSA-N 0 1 250.218 0.532 20 5 CCBDMN Nc1c(C(=O)N2CCc3[nH]nnc3C2)cccc1[N+](=O)[O-] ZINC000345041025 137230231 /nfs/dbraw/zinc/23/02/31/137230231.db2.gz VPTMYYUEIAWWPE-UHFFFAOYSA-N 0 1 288.267 0.494 20 5 CCBDMN COc1ccc(CN2[C@H](CO)CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000347291681 137329387 /nfs/dbraw/zinc/32/93/87/137329387.db2.gz BPAWCJWXWSFCTE-RYUDHWBXSA-N 0 1 296.323 0.921 20 5 CCBDMN Cc1n[nH]c(C(=O)N(C)Cc2ncc[nH]2)c1[N+](=O)[O-] ZINC000347530598 137341566 /nfs/dbraw/zinc/34/15/66/137341566.db2.gz YZTSXCGFWXOLDO-UHFFFAOYSA-N 0 1 264.245 0.622 20 5 CCBDMN CCc1nc([C@@H](C)NC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC000347570619 137343274 /nfs/dbraw/zinc/34/32/74/137343274.db2.gz STPNVTSRBVMULZ-ZCFIWIBFSA-N 0 1 293.287 0.500 20 5 CCBDMN CNC(=O)[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000049097860 348442052 /nfs/dbraw/zinc/44/20/52/348442052.db2.gz RGCXQFJYXZLXLX-QMMMGPOBSA-N 0 1 267.285 0.828 20 5 CCBDMN Cn1c(C(=O)NCCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000080571989 349218770 /nfs/dbraw/zinc/21/87/70/349218770.db2.gz MMZCTXFMYVDDOL-UHFFFAOYSA-N 0 1 278.272 0.414 20 5 CCBDMN C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000086468552 349340127 /nfs/dbraw/zinc/34/01/27/349340127.db2.gz SGXVQYICLRXRSF-UWVGGRQHSA-N 0 1 299.352 0.966 20 5 CCBDMN CCOC(=O)CC[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000134365058 350361204 /nfs/dbraw/zinc/36/12/04/350361204.db2.gz MSEOCMQMIZENKA-SSDOTTSWSA-N 0 1 284.272 0.780 20 5 CCBDMN Cc1cc(N(C)CC(=O)N2CCNCC2)ncc1[N+](=O)[O-] ZINC000092027532 180309023 /nfs/dbraw/zinc/30/90/23/180309023.db2.gz HDDCSNHHLATJIP-UHFFFAOYSA-N 0 1 293.327 0.166 20 5 CCBDMN CN1CCC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000164438848 350779123 /nfs/dbraw/zinc/77/91/23/350779123.db2.gz BQJDVNRCELVPLS-SNVBAGLBSA-N 0 1 267.289 0.002 20 5 CCBDMN CCCc1n[nH]c(C(=O)N[C@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC000174545485 351091491 /nfs/dbraw/zinc/09/14/91/351091491.db2.gz FFXZBDZCZGDXEB-ZCFIWIBFSA-N 0 1 293.287 0.880 20 5 CCBDMN C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCN1 ZINC000188453187 351597885 /nfs/dbraw/zinc/59/78/85/351597885.db2.gz ATGVIUNCKKFLIS-SNVBAGLBSA-N 0 1 279.296 0.794 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CSc1nc(N)cc(N)n1 ZINC000348112348 282774303 /nfs/dbraw/zinc/77/43/03/282774303.db2.gz FCQJJMWMYSDEOP-UHFFFAOYSA-N 0 1 281.301 0.405 20 5 CCBDMN C[C@@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000122836978 187054700 /nfs/dbraw/zinc/05/47/00/187054700.db2.gz ZZMMIAXEJXJJQO-LURJTMIESA-N 0 1 278.261 0.393 20 5 CCBDMN COC[C@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000234793313 352171425 /nfs/dbraw/zinc/17/14/25/352171425.db2.gz IROYDIMLZMJGIK-JTQLQIEISA-N 0 1 270.285 0.700 20 5 CCBDMN O=C(NC[C@@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000236403069 352193912 /nfs/dbraw/zinc/19/39/12/352193912.db2.gz ZRJVCNDNBZHPLG-SNVBAGLBSA-N 0 1 265.269 0.313 20 5 CCBDMN C[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1 ZINC000237572556 352271794 /nfs/dbraw/zinc/27/17/94/352271794.db2.gz RQJQGIKDGBWDAT-VIFPVBQESA-N 0 1 281.316 0.347 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCO[C@@H](COC)C2)c1[N+](=O)[O-] ZINC000266779400 352719141 /nfs/dbraw/zinc/71/91/41/352719141.db2.gz QYFGGYJLAPLPBS-MRVPVSSYSA-N 0 1 298.299 0.368 20 5 CCBDMN CCC[C@@H](CCO)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270791828 352986253 /nfs/dbraw/zinc/98/62/53/352986253.db2.gz KCXLSUSDWNAERO-QMMMGPOBSA-N 0 1 270.289 0.846 20 5 CCBDMN CC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCOCC1 ZINC000270919419 353002779 /nfs/dbraw/zinc/00/27/79/353002779.db2.gz RKGZWNQPSKZXCT-UHFFFAOYSA-N 0 1 268.273 0.864 20 5 CCBDMN CNC(=O)[C@H](C)CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272632547 353081325 /nfs/dbraw/zinc/08/13/25/353081325.db2.gz BPOFBGJGRXQLSL-MRVPVSSYSA-N 0 1 295.295 0.755 20 5 CCBDMN Cc1[nH]ncc1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000274338659 353120818 /nfs/dbraw/zinc/12/08/18/353120818.db2.gz AINVGUOIBJHVTG-UHFFFAOYSA-N 0 1 293.287 0.322 20 5 CCBDMN C[C@H]([C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCOCC1 ZINC000152775741 188043107 /nfs/dbraw/zinc/04/31/07/188043107.db2.gz IKEOHUUZBPIQHE-DTWKUNHWSA-N 0 1 297.315 0.157 20 5 CCBDMN CC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000292318754 198242017 /nfs/dbraw/zinc/24/20/17/198242017.db2.gz AUNGRIDMBFLYQD-MRVPVSSYSA-N 0 1 291.267 0.465 20 5 CCBDMN CO[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000277920962 353272764 /nfs/dbraw/zinc/27/27/64/353272764.db2.gz RKOMYHOYEFZALG-TXEJJXNPSA-N 0 1 296.279 0.786 20 5 CCBDMN Cc1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])[nH]2)n[nH]1 ZINC000286215185 353570114 /nfs/dbraw/zinc/57/01/14/353570114.db2.gz BUCQMIIJGULHCU-YFKPBYRVSA-N 0 1 264.245 0.840 20 5 CCBDMN CN1CC[N@@H+](C)C[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000287300333 353637155 /nfs/dbraw/zinc/63/71/55/353637155.db2.gz LJQIFTDWRWMVCG-LLVKDONJSA-N 0 1 279.344 0.835 20 5 CCBDMN Cc1nocc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000293156053 353793854 /nfs/dbraw/zinc/79/38/54/353793854.db2.gz FEHINQQZTZOVJI-UHFFFAOYSA-N 0 1 251.246 0.878 20 5 CCBDMN O=[N+]([O-])c1ccc(CCN2CCOC[C@H](O)C2)cc1 ZINC000295757453 353916787 /nfs/dbraw/zinc/91/67/87/353916787.db2.gz XTAYYSDMOJPCOM-CYBMUJFWSA-N 0 1 266.297 0.830 20 5 CCBDMN COCC1(O)CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000295546878 353902684 /nfs/dbraw/zinc/90/26/84/353902684.db2.gz LSGFIDDLTLXZSE-UHFFFAOYSA-N 0 1 298.299 0.275 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCSCC2)c1[N+](=O)[O-] ZINC000299447623 354017015 /nfs/dbraw/zinc/01/70/15/354017015.db2.gz OGRQZMGQFIABSA-UHFFFAOYSA-N 0 1 256.287 0.815 20 5 CCBDMN Nc1ccc(N2CCN(C3CC3)CC2)nc1[N+](=O)[O-] ZINC000311555558 354201512 /nfs/dbraw/zinc/20/15/12/354201512.db2.gz QQPFGVAHCPWOOB-UHFFFAOYSA-N 0 1 263.301 0.856 20 5 CCBDMN CC[C@@H]1CN(C)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000557919175 291047082 /nfs/dbraw/zinc/04/70/82/291047082.db2.gz CQZACMLYPQQJKA-LLVKDONJSA-N 0 1 295.343 0.734 20 5 CCBDMN C[C@@H](C(=O)NC(N)=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338384869 355337023 /nfs/dbraw/zinc/33/70/23/355337023.db2.gz QCJKVZIAVPDDRK-VIFPVBQESA-N 0 1 294.311 0.653 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000425527912 235305167 /nfs/dbraw/zinc/30/51/67/235305167.db2.gz OPACOCQJEKHGIU-DCAQKATOSA-N 0 1 280.328 0.921 20 5 CCBDMN COC(=O)Cc1nc(NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 ZINC000345596414 355860869 /nfs/dbraw/zinc/86/08/69/355860869.db2.gz VNMRTRZJSAJSHS-UHFFFAOYSA-N 0 1 295.211 0.274 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCc2[nH]nnc2C1 ZINC000346058747 355866636 /nfs/dbraw/zinc/86/66/36/355866636.db2.gz NAXGEALHGRLODQ-UHFFFAOYSA-N 0 1 262.229 0.240 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCn3ncnc3C2)c1[N+](=O)[O-] ZINC000354691045 356475750 /nfs/dbraw/zinc/47/57/50/356475750.db2.gz UVFYXFGPGVZNBC-UHFFFAOYSA-N 0 1 291.271 0.128 20 5 CCBDMN Cc1nc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])n[nH]1 ZINC000354910139 356527411 /nfs/dbraw/zinc/52/74/11/356527411.db2.gz LTNRRFOCYNEDRE-UHFFFAOYSA-N 0 1 251.206 0.305 20 5 CCBDMN CN1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000619444505 366254742 /nfs/dbraw/zinc/25/47/42/366254742.db2.gz AAODETPMSQEREW-VIFPVBQESA-N 0 1 293.279 0.651 20 5 CCBDMN CC(C)(CO)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000609839711 363520013 /nfs/dbraw/zinc/52/00/13/363520013.db2.gz CCLVBZIBPVVSGE-UHFFFAOYSA-N 0 1 280.328 0.883 20 5 CCBDMN O=C(N[C@@H](CO)c1ccc(F)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000356368405 356754884 /nfs/dbraw/zinc/75/48/84/356754884.db2.gz KUNYSGPPHYPTGU-VIFPVBQESA-N 0 1 294.242 0.920 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCc3n[nH]nc3C2)c1[N+](=O)[O-] ZINC000359574297 356848752 /nfs/dbraw/zinc/84/87/52/356848752.db2.gz IDPJFVRJLKAGKR-UHFFFAOYSA-N 0 1 291.271 0.197 20 5 CCBDMN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000363921490 357070992 /nfs/dbraw/zinc/07/09/92/357070992.db2.gz OWNYSXQRGJAFIV-HOSYDEDBSA-N 0 1 289.291 0.894 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408382272 358064920 /nfs/dbraw/zinc/06/49/20/358064920.db2.gz QJPPAUCOUOEMLP-APPZFPTMSA-N 0 1 282.300 0.723 20 5 CCBDMN CCc1nc(CNC(=O)c2cc([N+](=O)[O-])cn2C)n[nH]1 ZINC000569317079 358752335 /nfs/dbraw/zinc/75/23/35/358752335.db2.gz PMRQCABVUNGHLF-UHFFFAOYSA-N 0 1 278.272 0.544 20 5 CCBDMN NC(=O)C[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000589209337 359370926 /nfs/dbraw/zinc/37/09/26/359370926.db2.gz GDSXQRFHCBZDTH-SECBINFHSA-N 0 1 279.296 0.998 20 5 CCBDMN CN(Cc1n[nH]c(=O)o1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000588849439 359340961 /nfs/dbraw/zinc/34/09/61/359340961.db2.gz OJMUKGKFUMEMEE-UHFFFAOYSA-N 0 1 278.224 0.956 20 5 CCBDMN C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590402749 359454402 /nfs/dbraw/zinc/45/44/02/359454402.db2.gz FENJZXWCVFHNAJ-WCBMZHEXSA-N 0 1 294.311 0.860 20 5 CCBDMN C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000563107728 291194117 /nfs/dbraw/zinc/19/41/17/291194117.db2.gz YVFXNRCAVRDGPF-XVKPBYJWSA-N 0 1 280.284 0.423 20 5 CCBDMN O=C(NC[C@H]1CCCC[NH2+]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592293297 359812638 /nfs/dbraw/zinc/81/26/38/359812638.db2.gz ZVHRVMMUXKOMRF-MRVPVSSYSA-N 0 1 280.284 0.567 20 5 CCBDMN C[C@H]1COCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000611185785 363675540 /nfs/dbraw/zinc/67/55/40/363675540.db2.gz IBDNTGKYIOAEFH-NSHDSACASA-N 0 1 281.312 0.867 20 5 CCBDMN CCCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592828132 359947308 /nfs/dbraw/zinc/94/73/08/359947308.db2.gz CWNDCMDUOXFMOC-VIFPVBQESA-N 0 1 281.316 0.874 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H](O)[C@H](CO)C1 ZINC000593037341 360019364 /nfs/dbraw/zinc/01/93/64/360019364.db2.gz XARVBEFXHRFKHP-GWCFXTLKSA-N 0 1 282.296 0.476 20 5 CCBDMN CC(C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ncc[nH]1 ZINC000593736735 360144185 /nfs/dbraw/zinc/14/41/85/360144185.db2.gz WZXKFXQJYJZAIH-UHFFFAOYSA-N 0 1 264.245 0.706 20 5 CCBDMN CC(C)(NC(=O)c1[n-]ncc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000593736735 360144188 /nfs/dbraw/zinc/14/41/88/360144188.db2.gz WZXKFXQJYJZAIH-UHFFFAOYSA-N 0 1 264.245 0.706 20 5 CCBDMN COC[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594744504 360373470 /nfs/dbraw/zinc/37/34/70/360373470.db2.gz HEDMQCRBVQXRKD-SSDOTTSWSA-N 0 1 275.286 0.303 20 5 CCBDMN CN(C)CCN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594759668 360376883 /nfs/dbraw/zinc/37/68/83/360376883.db2.gz HTWTUWGXHSIKRV-UHFFFAOYSA-N 0 1 288.329 0.172 20 5 CCBDMN C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594759497 360376946 /nfs/dbraw/zinc/37/69/46/360376946.db2.gz OLSAAXXBCZTIGF-JGVFFNPUSA-N 0 1 289.313 0.285 20 5 CCBDMN O=[N+]([O-])c1cccc(CN2CCC(CO)(CO)C2)c1 ZINC000595798834 360657430 /nfs/dbraw/zinc/65/74/30/360657430.db2.gz HPWRRLYDPAJISL-UHFFFAOYSA-N 0 1 266.297 0.772 20 5 CCBDMN Nc1nc(N2CCCc3[nH]ncc3C2)ncc1[N+](=O)[O-] ZINC000596001945 360773089 /nfs/dbraw/zinc/77/30/89/360773089.db2.gz CSIJDXRONJXBOM-UHFFFAOYSA-N 0 1 275.272 0.473 20 5 CCBDMN Cc1nc(CCNc2cc[nH]c(=O)c2[N+](=O)[O-])n[nH]1 ZINC000596151175 360813539 /nfs/dbraw/zinc/81/35/39/360813539.db2.gz ALBNZXCEJIBIKN-UHFFFAOYSA-N 0 1 264.245 0.777 20 5 CCBDMN Cc1nnc(CCNc2cc[nH]c(=O)c2[N+](=O)[O-])[nH]1 ZINC000596151175 360813545 /nfs/dbraw/zinc/81/35/45/360813545.db2.gz ALBNZXCEJIBIKN-UHFFFAOYSA-N 0 1 264.245 0.777 20 5 CCBDMN Cc1noc(COCCc2c[nH]nn2)c1[N+](=O)[O-] ZINC000596285381 360868426 /nfs/dbraw/zinc/86/84/26/360868426.db2.gz JUBYNOKHMRUQKY-UHFFFAOYSA-N 0 1 253.218 0.769 20 5 CCBDMN COCc1nc(CNC(=O)c2cc([N+](=O)[O-])cn2C)n[nH]1 ZINC000596457873 360900199 /nfs/dbraw/zinc/90/01/99/360900199.db2.gz BQJMPLATEUYFSH-UHFFFAOYSA-N 0 1 294.271 0.128 20 5 CCBDMN COCc1nnc(CNC(=O)c2cc([N+](=O)[O-])cn2C)[nH]1 ZINC000596457873 360900205 /nfs/dbraw/zinc/90/02/05/360900205.db2.gz BQJMPLATEUYFSH-UHFFFAOYSA-N 0 1 294.271 0.128 20 5 CCBDMN O=C(N[C@H](CO)C1CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000597919073 361282525 /nfs/dbraw/zinc/28/25/25/361282525.db2.gz JZXQUNPVGONIEE-SSDOTTSWSA-N 0 1 254.246 0.209 20 5 CCBDMN COC(=O)C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000598275917 361372186 /nfs/dbraw/zinc/37/21/86/361372186.db2.gz PRYRDBPQMAPACC-QMMMGPOBSA-N 0 1 296.283 0.637 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2[C@H](C)O)c1[N+](=O)[O-] ZINC000598238946 361362025 /nfs/dbraw/zinc/36/20/25/361362025.db2.gz SWOXSKUQQGRMQO-JGVFFNPUSA-N 0 1 268.273 0.612 20 5 CCBDMN O=C(N[C@@H]1C[C@H](O)C12CCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000598314752 361387988 /nfs/dbraw/zinc/38/79/88/361387988.db2.gz YSUJAHMCZMAJSA-SFYZADRCSA-N 0 1 266.257 0.351 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCc3nccnc3C2)c1[N+](=O)[O-] ZINC000598440796 361416852 /nfs/dbraw/zinc/41/68/52/361416852.db2.gz IAXGWUUDZGIOEG-UHFFFAOYSA-N 0 1 288.267 0.615 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCCC2)n1 ZINC000599204502 361611357 /nfs/dbraw/zinc/61/13/57/361611357.db2.gz WPWQHKBCQQUGQK-UHFFFAOYSA-N 0 1 274.302 0.549 20 5 CCBDMN Cc1cnc(NCCN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599199852 361609415 /nfs/dbraw/zinc/60/94/15/361609415.db2.gz UAKJBATVDZXPMM-JTQLQIEISA-N 0 1 266.301 0.777 20 5 CCBDMN CCC(CC)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599202736 361610184 /nfs/dbraw/zinc/61/01/84/361610184.db2.gz GIONJYDWVQORTH-UHFFFAOYSA-N 0 1 276.318 0.795 20 5 CCBDMN C[C@H]1C[C@H]1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599216203 361613485 /nfs/dbraw/zinc/61/34/85/361613485.db2.gz NGCLUTYSMTYDFW-BQBZGAKWSA-N 0 1 274.302 0.263 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(C3CC3)CC2)n1 ZINC000599258146 361622634 /nfs/dbraw/zinc/62/26/34/361622634.db2.gz NZQLIIIGJYLMMT-UHFFFAOYSA-N 0 1 286.313 0.549 20 5 CCBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000275591145 193081204 /nfs/dbraw/zinc/08/12/04/193081204.db2.gz PAXTWCQGVISVTK-SSDOTTSWSA-N 0 1 291.267 0.920 20 5 CCBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](O)(C(N)=O)C1 ZINC000276490654 193353716 /nfs/dbraw/zinc/35/37/16/193353716.db2.gz VJLLEONHDDZGPF-RNCFNFMXSA-N 0 1 279.296 0.578 20 5 CCBDMN O=c1[nH]nc2n1CCN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000331864865 204243022 /nfs/dbraw/zinc/24/30/22/204243022.db2.gz JMKNHEFOTKBVMC-UHFFFAOYSA-N 0 1 281.297 0.969 20 5 CCBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@](O)(CO)C1 ZINC000313643470 249000649 /nfs/dbraw/zinc/00/06/49/249000649.db2.gz STMVUILFMCNZKE-ZDUSSCGKSA-N 0 1 266.297 0.914 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(C)(O)C2)c1[N+](=O)[O-] ZINC000278451238 193990530 /nfs/dbraw/zinc/99/05/30/193990530.db2.gz QXJYUAXDXOQSDA-UHFFFAOYSA-N 0 1 254.246 0.087 20 5 CCBDMN O=[N+]([O-])c1ccc(OCCN2C[C@@H](O)[C@H](O)C2)cc1 ZINC000278885583 194196347 /nfs/dbraw/zinc/19/63/47/194196347.db2.gz UDOAUEZEOAVLMO-VXGBXAGGSA-N 0 1 268.269 0.011 20 5 CCBDMN CN1CCO[C@@H]2CCN(c3ncc([N+](=O)[O-])s3)C[C@H]21 ZINC000285124944 388788207 /nfs/dbraw/zinc/78/82/07/388788207.db2.gz RSOAAAUIDVPYIL-RKDXNWHRSA-N 0 1 284.341 0.961 20 5 CCBDMN C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295410999 389007390 /nfs/dbraw/zinc/00/73/90/389007390.db2.gz SISHLWUDCFDDDG-SECBINFHSA-N 0 1 293.327 0.874 20 5 CCBDMN CCn1nc(C)c([N+](=O)[O-])c1NCc1nnc[nH]1 ZINC000091557584 389024115 /nfs/dbraw/zinc/02/41/15/389024115.db2.gz KBVDOFHOBKGXNE-UHFFFAOYSA-N 0 1 251.250 0.850 20 5 CCBDMN CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CC1 ZINC000101958880 389073552 /nfs/dbraw/zinc/07/35/52/389073552.db2.gz WFEBBGXYZYWSNF-UHFFFAOYSA-N 0 1 294.311 0.910 20 5 CCBDMN CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CC1 ZINC000101958880 389073557 /nfs/dbraw/zinc/07/35/57/389073557.db2.gz WFEBBGXYZYWSNF-UHFFFAOYSA-N 0 1 294.311 0.910 20 5 CCBDMN Cc1c(C(=O)N2CCNCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000237758149 389193886 /nfs/dbraw/zinc/19/38/86/389193886.db2.gz GWSKJLJMBBXBLR-UHFFFAOYSA-N 0 1 294.267 0.857 20 5 CCBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1COCCN1 ZINC000130333680 389203360 /nfs/dbraw/zinc/20/33/60/389203360.db2.gz WQJCIIRZYFQLLV-GFCCVEGCSA-N 0 1 293.323 0.932 20 5 CCBDMN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])nn2C)[nH]1 ZINC000360802336 389204556 /nfs/dbraw/zinc/20/45/56/389204556.db2.gz PBPRADJPCDDCRZ-UHFFFAOYSA-N 0 1 251.206 0.007 20 5 CCBDMN Cc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])nn2C)n1 ZINC000360802336 389204559 /nfs/dbraw/zinc/20/45/59/389204559.db2.gz PBPRADJPCDDCRZ-UHFFFAOYSA-N 0 1 251.206 0.007 20 5 CCBDMN C[C@H]1CNCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000126427903 389170261 /nfs/dbraw/zinc/17/02/61/389170261.db2.gz XDYOJMWNTUSLLU-QMMMGPOBSA-N 0 1 289.295 0.905 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000264319002 389321326 /nfs/dbraw/zinc/32/13/26/389321326.db2.gz GHSNCLGZBQQZTF-UHFFFAOYSA-N 0 1 289.295 0.923 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CC(=O)NC(C)C)c1[N+](=O)[O-] ZINC000264573597 389336701 /nfs/dbraw/zinc/33/67/01/389336701.db2.gz WRNTYHDRRUJPHR-UHFFFAOYSA-N 0 1 297.315 0.477 20 5 CCBDMN CS[C@@H](CO)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159645779 389370927 /nfs/dbraw/zinc/37/09/27/389370927.db2.gz AAVSOUPZCZJGNW-VDTYLAMSSA-N 0 1 274.302 0.160 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N(CC(N)=O)C(C)C)c1[N+](=O)[O-] ZINC000269338139 389414074 /nfs/dbraw/zinc/41/40/74/389414074.db2.gz OKTNVWADWGSVTB-UHFFFAOYSA-N 0 1 297.315 0.777 20 5 CCBDMN COC(=O)[C@H]1CN(C)CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000413490689 389520532 /nfs/dbraw/zinc/52/05/32/389520532.db2.gz AEGPFLLEZCYIDU-JTQLQIEISA-N 0 1 294.311 0.531 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)C[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000428613181 389710298 /nfs/dbraw/zinc/71/02/98/389710298.db2.gz AHLFBYVCCSMEHN-XPUUQOCRSA-N 0 1 295.299 0.352 20 5 CCBDMN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000351874349 389705141 /nfs/dbraw/zinc/70/51/41/389705141.db2.gz ZVZDUGFBVRXTGD-CPCISQLKSA-N 0 1 290.279 0.924 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@](O)(CC)C2)c1[N+](=O)[O-] ZINC000429617105 389762413 /nfs/dbraw/zinc/76/24/13/389762413.db2.gz IMKVYMJNMKABFX-LBPRGKRZSA-N 0 1 282.300 0.867 20 5 CCBDMN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000352187634 389768180 /nfs/dbraw/zinc/76/81/80/389768180.db2.gz SQEIBEUKHSJGEO-SECBINFHSA-N 0 1 281.312 0.896 20 5 CCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCN1CCC1 ZINC000443970999 389887224 /nfs/dbraw/zinc/88/72/24/389887224.db2.gz JULIENOMQOULNV-UHFFFAOYSA-N 0 1 263.297 0.959 20 5 CCBDMN C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436937483 389987564 /nfs/dbraw/zinc/98/75/64/389987564.db2.gz ISLKPAFYHXFKTL-CYBMUJFWSA-N 0 1 295.295 0.097 20 5 CCBDMN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440403573 390036325 /nfs/dbraw/zinc/03/63/25/390036325.db2.gz CWTRRUSIPDUJDU-SSDOTTSWSA-N 0 1 293.370 0.918 20 5 CCBDMN COC(=O)NCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000491403883 390113014 /nfs/dbraw/zinc/11/30/14/390113014.db2.gz BABYWENGRWGHHX-UHFFFAOYSA-N 0 1 257.202 0.436 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC(CCO)CC2)c1[N+](=O)[O-] ZINC000536222372 390159900 /nfs/dbraw/zinc/15/99/00/390159900.db2.gz ZMRHUOFGISFVEG-UHFFFAOYSA-N 0 1 282.300 0.861 20 5 CCBDMN CCOC(=O)N1CCC(OC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000495996935 390280938 /nfs/dbraw/zinc/28/09/38/390280938.db2.gz ZVCVSENYKDBDSZ-NXEZZACHSA-N 0 1 286.284 0.816 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](CO)[C@H](O)C1 ZINC000547405352 390373017 /nfs/dbraw/zinc/37/30/17/390373017.db2.gz XNUVPSMNLLNFNE-PRHODGIISA-N 0 1 296.279 0.116 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000532631189 390882602 /nfs/dbraw/zinc/88/26/02/390882602.db2.gz AHBZNHGGZLUONW-DTWKUNHWSA-N 0 1 282.300 0.859 20 5 CCBDMN CSCC[C@@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000361665735 533600803 /nfs/dbraw/zinc/60/08/03/533600803.db2.gz YRFZLUHTSMWWPV-LURJTMIESA-N 0 1 274.302 0.162 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356901959 144042561 /nfs/dbraw/zinc/04/25/61/144042561.db2.gz NICWWZDZNMNFGR-DTWKUNHWSA-N 0 1 281.316 0.791 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2C[C@H](O)C3(CC3)C2)c1 ZINC000368787324 144244182 /nfs/dbraw/zinc/24/41/82/144244182.db2.gz VDJHBERYWRMUMM-JTQLQIEISA-N 0 1 252.274 0.248 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](C2CCOCC2)C1 ZINC000371076043 144317784 /nfs/dbraw/zinc/31/77/84/144317784.db2.gz SYQGZKGWONUURO-QJPTWQEYSA-N 0 1 268.313 0.927 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044929300 411631743 /nfs/dbraw/zinc/63/17/43/411631743.db2.gz CAMNEHBDKYMTKQ-UHFFFAOYSA-N 0 1 282.647 0.691 20 5 CCBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(O)(C(N)=O)CC1 ZINC000284423287 196052029 /nfs/dbraw/zinc/05/20/29/196052029.db2.gz YCPASAILYUODMP-SNVBAGLBSA-N 0 1 293.323 0.968 20 5 CCBDMN CN(CC(=O)N1CCNCC1)c1ccccc1[N+](=O)[O-] ZINC000038031620 174026060 /nfs/dbraw/zinc/02/60/60/174026060.db2.gz NXCLKYYGRQNBJA-UHFFFAOYSA-N 0 1 278.312 0.463 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2C)n1 ZINC000191813603 227187065 /nfs/dbraw/zinc/18/70/65/227187065.db2.gz CDUVNLPMECPDGT-SECBINFHSA-N 0 1 281.316 0.635 20 5 CCBDMN CCO[C@@H]1COCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000362016317 276341616 /nfs/dbraw/zinc/34/16/16/276341616.db2.gz ACOCWHBUWRDSLF-MWLCHTKSSA-N 0 1 284.316 0.612 20 5 CCBDMN CNc1nc(C(=O)N[C@@H](C)c2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000455832469 277303993 /nfs/dbraw/zinc/30/39/93/277303993.db2.gz XCLHYEBDVBPFSH-LURJTMIESA-N 0 1 291.271 0.641 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000408046684 280188152 /nfs/dbraw/zinc/18/81/52/280188152.db2.gz XTIUQABLJBIMQK-MRVPVSSYSA-N 0 1 293.283 0.073 20 5 CCBDMN CC(C)(C)N1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1=O ZINC000583443107 327367565 /nfs/dbraw/zinc/36/75/65/327367565.db2.gz YNHJJIWUPZAGCG-SSDOTTSWSA-N 0 1 295.299 0.447 20 5 CCBDMN COC(=O)C[C@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000582484541 329096266 /nfs/dbraw/zinc/09/62/66/329096266.db2.gz UVONDFDYJDSVCM-JTQLQIEISA-N 0 1 295.295 0.444 20 5 CCBDMN CC(=O)NCCN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000576639980 335229596 /nfs/dbraw/zinc/22/95/96/335229596.db2.gz YZFDZPDULXYGHY-UHFFFAOYSA-N 0 1 297.315 0.649 20 5 CCBDMN C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000578768390 335672930 /nfs/dbraw/zinc/67/29/30/335672930.db2.gz XZZJCVYKLQOFGH-SFYZADRCSA-N 0 1 280.284 0.505 20 5 CCBDMN Cc1nn(C)c(NC[C@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC000068806648 527679193 /nfs/dbraw/zinc/67/91/93/527679193.db2.gz IIDVDQHFTGBNKT-JTQLQIEISA-N 0 1 282.348 0.294 20 5 CCBDMN COc1ccc(CNC(=O)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000269238772 536887794 /nfs/dbraw/zinc/88/77/94/536887794.db2.gz HFXRLXVBGBDWDO-GFCCVEGCSA-N 0 1 295.295 0.208 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1c[nH]nn1 ZINC000789928395 581164844 /nfs/dbraw/zinc/16/48/44/581164844.db2.gz YMHKEFADWGYJCI-UHFFFAOYSA-N 0 1 265.233 0.247 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782605426 581313044 /nfs/dbraw/zinc/31/30/44/581313044.db2.gz DSUYEJPDDFPPMY-KOLCDFICSA-N 0 1 252.274 0.106 20 5 CCBDMN CC(C)(NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1c[nH]nn1 ZINC000734409903 581560878 /nfs/dbraw/zinc/56/08/78/581560878.db2.gz GZXZJCTZPNPSEH-UHFFFAOYSA-N 0 1 264.245 0.706 20 5 CCBDMN CCc1nc(COC(=O)c2cc([N+](=O)[O-])cn2C)n[nH]1 ZINC000754770393 581608820 /nfs/dbraw/zinc/60/88/20/581608820.db2.gz JNXFHFNHHYRKBE-UHFFFAOYSA-N 0 1 279.256 0.971 20 5 CCBDMN CCc1nc(COC(=O)c2nn(CC)cc2[N+](=O)[O-])n[nH]1 ZINC000755573527 581646573 /nfs/dbraw/zinc/64/65/73/581646573.db2.gz NMYNTTJAMYEMDW-UHFFFAOYSA-N 0 1 294.271 0.849 20 5 CCBDMN Cc1nc(COC(=O)c2cc([N+](=O)[O-])cn2C)n[nH]1 ZINC000770641235 581759267 /nfs/dbraw/zinc/75/92/67/581759267.db2.gz UBODLUDQJGWVAG-UHFFFAOYSA-N 0 1 265.229 0.717 20 5 CCBDMN Cn1nccc1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000762715922 581957520 /nfs/dbraw/zinc/95/75/20/581957520.db2.gz NLDWOCLZZRTMFO-UHFFFAOYSA-N 0 1 264.245 0.024 20 5 CCBDMN O=C(NCc1nc(C2CC2)no1)c1n[nH]cc1[N+](=O)[O-] ZINC000764027984 582027377 /nfs/dbraw/zinc/02/73/77/582027377.db2.gz UHCNPZWPRYYAOZ-UHFFFAOYSA-N 0 1 278.228 0.508 20 5 CCBDMN C[C@H](CNC(=O)[O-])[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000824967300 603705677 /nfs/dbraw/zinc/70/56/77/603705677.db2.gz PWARXGBWPUNCNY-MRVPVSSYSA-N 0 1 271.277 0.379 20 5 CCBDMN C[C@H]1C[NH+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)N1C(=O)[O-] ZINC000826056126 603709671 /nfs/dbraw/zinc/70/96/71/603709671.db2.gz BJBPVRXIGNNPKJ-UWVGGRQHSA-N 0 1 297.315 0.864 20 5 CCBDMN C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1NC(=O)[O-] ZINC000826056060 603709939 /nfs/dbraw/zinc/70/99/39/603709939.db2.gz ASTSHVBKVMPIAY-NXEZZACHSA-N 0 1 297.315 0.769 20 5 CCBDMN O=C([O-])[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000821509167 604966531 /nfs/dbraw/zinc/96/65/31/604966531.db2.gz KFNCBWIACGKRBW-JTQLQIEISA-N 0 1 281.268 0.306 20 5 CCBDMN C[N@H+](CC(=O)[O-])C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351101 605189179 /nfs/dbraw/zinc/18/91/79/605189179.db2.gz LHTFIBIVPITHJY-SNVBAGLBSA-N 0 1 254.242 0.645 20 5 CCBDMN CC(C)CC[C@@](C)(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839691152 614060254 /nfs/dbraw/zinc/06/02/54/614060254.db2.gz GPAZXZPKIXCLDY-CKYFFXLPSA-N 0 1 258.318 0.955 20 5 CCBDMN CC(C)(CCC(=O)NC[C@@H]1CN2CCN1CCC2)[N+](=O)[O-] ZINC000854352388 614081346 /nfs/dbraw/zinc/08/13/46/614081346.db2.gz BKUQFWKCZCPHAR-GFCCVEGCSA-N 0 1 298.387 0.328 20 5 CCBDMN COc1ccc(OC)c([C@H](O)CNCC[N+](=O)[O-])c1 ZINC000899872157 617276067 /nfs/dbraw/zinc/27/60/67/617276067.db2.gz YEYFVZKUDCBFTR-LLVKDONJSA-N 0 1 270.285 0.604 20 5 CCBDMN C/C=C\C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OCC ZINC000840421750 613204314 /nfs/dbraw/zinc/20/43/14/613204314.db2.gz XGLFOLUDJCPICM-GCSAUYLNSA-N 0 1 270.285 0.666 20 5 CCBDMN CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000969001594 613890700 /nfs/dbraw/zinc/89/07/00/613890700.db2.gz RSFSATLXWDHZHC-WRWGMCAJSA-N 0 1 295.339 0.509 20 5 CCBDMN CC(C)(C)N1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000839695862 613946156 /nfs/dbraw/zinc/94/61/56/613946156.db2.gz LVMDZLWPBQHXOU-IWSPIJDZSA-N 0 1 269.301 0.167 20 5 CCBDMN CC(C)C(=O)N(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953766447 614330947 /nfs/dbraw/zinc/33/09/47/614330947.db2.gz CYKOJDXWAQKVAC-VXGBXAGGSA-N 0 1 297.355 0.757 20 5 CCBDMN CC(C)N1CCC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000840671572 614338016 /nfs/dbraw/zinc/33/80/16/614338016.db2.gz XMLIRDWGRCLLCG-OPRDCNLKSA-N 0 1 270.285 0.594 20 5 CCBDMN CC(C)C(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000948789651 614349793 /nfs/dbraw/zinc/34/97/93/614349793.db2.gz XPELKTLIZZAVKC-VXGBXAGGSA-N 0 1 297.355 0.662 20 5 CCBDMN CC(C)n1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839687784 614362584 /nfs/dbraw/zinc/36/25/84/614362584.db2.gz KCOIPETWHJRKDQ-NXEZZACHSA-N 0 1 252.274 0.745 20 5 CCBDMN CCCc1nc(COC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC000840672247 614495119 /nfs/dbraw/zinc/49/51/19/614495119.db2.gz FQOKUPXIDXNTKB-RNFRBKRXSA-N 0 1 255.230 0.731 20 5 CCBDMN CCC(CC)NC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673269 614574407 /nfs/dbraw/zinc/57/44/07/614574407.db2.gz WXOODEZKHXQDEG-FXBDTBDDSA-N 0 1 272.301 0.888 20 5 CCBDMN CC1(C)CN(C(=O)[O-])CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000825728892 614593080 /nfs/dbraw/zinc/59/30/80/614593080.db2.gz FYTGWHZBHRCRFF-UHFFFAOYSA-N 0 1 297.315 0.866 20 5 CCBDMN CC1(C)CN(C(=O)[O-])CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000825728892 614593083 /nfs/dbraw/zinc/59/30/83/614593083.db2.gz FYTGWHZBHRCRFF-UHFFFAOYSA-N 0 1 297.315 0.866 20 5 CCBDMN CCC[C@@H](C)C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839778847 614976918 /nfs/dbraw/zinc/97/69/18/614976918.db2.gz HIQPCGMHWCDGQG-OPRDCNLKSA-N 0 1 271.317 0.320 20 5 CCBDMN CCN1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000935931155 615149629 /nfs/dbraw/zinc/14/96/29/615149629.db2.gz YESNNTROSIMMHF-SNVBAGLBSA-N 0 1 295.343 0.652 20 5 CCBDMN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000839779863 615433150 /nfs/dbraw/zinc/43/31/50/615433150.db2.gz MZHXPFXDGSBNOG-LZQZFOIKSA-N 0 1 294.311 0.383 20 5 CCBDMN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000839779859 615445058 /nfs/dbraw/zinc/44/50/58/615445058.db2.gz MZHXPFXDGSBNOG-IYKVGLELSA-N 0 1 294.311 0.383 20 5 CCBDMN CC[C@@H](C)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000843620712 615453926 /nfs/dbraw/zinc/45/39/26/615453926.db2.gz MNOLXAKKHQQYRU-DOLQZWNJSA-N 0 1 272.301 0.746 20 5 CCBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1CC(F)F ZINC000839717881 615560036 /nfs/dbraw/zinc/56/00/36/615560036.db2.gz LHJIRSHFYOKUHC-OPRDCNLKSA-N 0 1 291.298 0.840 20 5 CCBDMN CC[C@@]1(CO)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839730255 615598561 /nfs/dbraw/zinc/59/85/61/615598561.db2.gz DFBWVEJWAMESJV-CKYFFXLPSA-N 0 1 256.302 0.663 20 5 CCBDMN CC[C@H](C)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672462 615677847 /nfs/dbraw/zinc/67/78/47/615677847.db2.gz JUDNNQICSPSSSE-JQCXWYLXSA-N 0 1 258.274 0.498 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCN(OC)CC2)c1[N+](=O)[O-] ZINC000854860944 616030670 /nfs/dbraw/zinc/03/06/70/616030670.db2.gz SQPZLZSFNJMVHA-UHFFFAOYSA-N 0 1 283.288 0.200 20 5 CCBDMN COCCOc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC000840673341 616590289 /nfs/dbraw/zinc/59/02/89/616590289.db2.gz KZVIRNVIPQAULR-GHMZBOCLSA-N 0 1 296.279 0.815 20 5 CCBDMN COC(=O)[C@H](CC1CC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839813847 616592224 /nfs/dbraw/zinc/59/22/24/616592224.db2.gz BKDGBTBDNDNKOK-HRDYMLBCSA-N 0 1 256.258 0.110 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000935214256 623084333 /nfs/dbraw/zinc/08/43/33/623084333.db2.gz QCXXIULVXAYJBX-NXEZZACHSA-N 0 1 295.343 0.651 20 5 CCBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H]2CO)c1 ZINC000934027388 625003367 /nfs/dbraw/zinc/00/33/67/625003367.db2.gz UBZWRVLDLLQOFX-NWDGAFQWSA-N 0 1 282.296 0.401 20 5 CCBDMN Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)co1 ZINC000991011471 634455448 /nfs/dbraw/zinc/45/54/48/634455448.db2.gz IOPHAXXMTFBVOS-GHMZBOCLSA-N 0 1 293.279 0.194 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000044927065 625821840 /nfs/dbraw/zinc/82/18/40/625821840.db2.gz YIGRAZRBCUJYHV-UHFFFAOYSA-N 0 1 282.647 0.691 20 5 CCBDMN O=C1C[C@H](NCC[N+](=O)[O-])CN1C1CCCCC1 ZINC000905172275 634817378 /nfs/dbraw/zinc/81/73/78/634817378.db2.gz DFLNKTXEFOOKEM-JTQLQIEISA-N 0 1 255.318 0.786 20 5 CCBDMN O=[N+]([O-])CCNCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000905213509 634823105 /nfs/dbraw/zinc/82/31/05/634823105.db2.gz PHQBUSZWXNBENA-UHFFFAOYSA-N 0 1 299.352 0.593 20 5 CCBDMN Cn1cc(-c2cc(COC(=O)[C@@H]3CC3[N+](=O)[O-])on2)cn1 ZINC000840672608 631700407 /nfs/dbraw/zinc/70/04/07/631700407.db2.gz DAWDJTIGQSBQBR-MWLCHTKSSA-N 0 1 292.251 0.784 20 5 CCBDMN O=C(CC1CCC1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991279600 635833564 /nfs/dbraw/zinc/83/35/64/635833564.db2.gz NEYOOINOYPDZRF-GHMZBOCLSA-N 0 1 281.312 0.169 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H]1C(F)(F)F ZINC000912080823 636491821 /nfs/dbraw/zinc/49/18/21/636491821.db2.gz LPLTYHFXXGIRGJ-XAHCXIQSSA-N 0 1 254.164 0.399 20 5 CCBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCCC1 ZINC001000637581 639145015 /nfs/dbraw/zinc/14/50/15/639145015.db2.gz JCVOJLMWCIBEIF-VXGBXAGGSA-N 0 1 295.339 0.416 20 5 CCBDMN CC[C@@H](C)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000922801921 639792909 /nfs/dbraw/zinc/79/29/09/639792909.db2.gz FERWERRLBASDHP-BGZDPUMWSA-N 0 1 259.258 0.783 20 5 CCBDMN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839685797 640350168 /nfs/dbraw/zinc/35/01/68/640350168.db2.gz IPAWQGJVNIRYIP-ILPFRECESA-N 0 1 260.315 0.020 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000839710270 640356080 /nfs/dbraw/zinc/35/60/80/640356080.db2.gz QWPDCBLIAYJKGG-SQNXGDPESA-N 0 1 278.308 0.760 20 5 CCBDMN Cn1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000839710313 640356182 /nfs/dbraw/zinc/35/61/82/640356182.db2.gz WOMKAVZTAOHQHD-RNFRBKRXSA-N 0 1 292.217 0.720 20 5 CCBDMN O=C(N[C@H](CCO)c1cccs1)[C@@H]1CC1[N+](=O)[O-] ZINC000839715851 640356269 /nfs/dbraw/zinc/35/62/69/640356269.db2.gz IQLCTTVYKNQCTC-IWSPIJDZSA-N 0 1 270.310 0.953 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000839708121 640357271 /nfs/dbraw/zinc/35/72/71/640357271.db2.gz DZQAXZRPXCPZGS-DDHJBXDOSA-N 0 1 268.313 0.927 20 5 CCBDMN O=C(NCCc1ccc(CO)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839722187 640358071 /nfs/dbraw/zinc/35/80/71/640358071.db2.gz XLXLIACYJHTXHD-VXGBXAGGSA-N 0 1 264.281 0.503 20 5 CCBDMN Cn1ncc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000802978830 640711820 /nfs/dbraw/zinc/71/18/20/640711820.db2.gz VPKVVTFWUAKLBI-UHFFFAOYSA-N 0 1 251.202 0.408 20 5 CCBDMN O=C(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1c(F)cccc1F ZINC000819579128 641421431 /nfs/dbraw/zinc/42/14/31/641421431.db2.gz PPDIKDPFVSZTGI-HZGVNTEJSA-N 0 1 284.218 0.929 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2[nH]cnc2C12CCC2 ZINC000829061167 642141047 /nfs/dbraw/zinc/14/10/47/642141047.db2.gz BVLBUNFDBDLBOU-PSASIEDQSA-N 0 1 276.296 0.839 20 5 CCBDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2nc[nH]c2C12CCC2 ZINC000829061167 642141050 /nfs/dbraw/zinc/14/10/50/642141050.db2.gz BVLBUNFDBDLBOU-PSASIEDQSA-N 0 1 276.296 0.839 20 5 CCBDMN NC(=O)c1cc(F)c(F)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841248679 642809414 /nfs/dbraw/zinc/80/94/14/642809414.db2.gz FJUJJNPOHPLMFF-MLUIRONXSA-N 0 1 285.206 0.667 20 5 CCBDMN O=C(OCCCN1CCCCC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842336641 642892310 /nfs/dbraw/zinc/89/23/10/642892310.db2.gz KLOCXUIJOONJGA-NXEZZACHSA-N 0 1 270.285 0.597 20 5 CCBDMN Cn1cc([C@@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)cn1 ZINC000848142192 643609646 /nfs/dbraw/zinc/60/96/46/643609646.db2.gz LGZXJTQCPHXNSB-QCNOEVLYSA-N 0 1 294.311 0.422 20 5 CCBDMN O=C(OCCO[C@@H]1CC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000849806132 643758199 /nfs/dbraw/zinc/75/81/99/643758199.db2.gz DITXQPYZIGJKIC-FSDSQADBSA-N 0 1 251.185 0.619 20 5 CCBDMN O=C(NCc1cnc(C(F)(F)F)nc1)[C@@H]1CC1[N+](=O)[O-] ZINC000855216652 644296412 /nfs/dbraw/zinc/29/64/12/644296412.db2.gz HAIAJKOWIKRZFC-RNFRBKRXSA-N 0 1 290.201 0.777 20 5 CCBDMN C[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1CCO ZINC000855541761 644332031 /nfs/dbraw/zinc/33/20/31/644332031.db2.gz SITYQFUFKSZWFO-LNFKQOIKSA-N 0 1 256.302 0.661 20 5 CCBDMN Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000855871260 644369705 /nfs/dbraw/zinc/36/97/05/644369705.db2.gz WCQBMPRJYJDKDY-FVCCEPFGSA-N 0 1 292.339 0.913 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC000870093564 645961631 /nfs/dbraw/zinc/96/16/31/645961631.db2.gz VCKCCQQAHSGABQ-JHJVBQTASA-N 0 1 291.307 0.530 20 5 CCBDMN O=C(NC[C@H](O)C(F)(F)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000882554619 647418397 /nfs/dbraw/zinc/41/83/97/647418397.db2.gz NFXMYRLQIYDYDT-WDCZJNDASA-N 0 1 292.160 0.326 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CO)(C(F)(F)F)CC1 ZINC000885007020 647822180 /nfs/dbraw/zinc/82/21/80/647822180.db2.gz HFUBHCJJXCCQQR-HTQZYQBOSA-N 0 1 296.245 0.815 20 5 CCBDMN O=C(NCCc1cccc2c1OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000885771861 647877215 /nfs/dbraw/zinc/87/72/15/647877215.db2.gz CNZSNSMESGUGFF-GHMZBOCLSA-N 0 1 292.291 0.782 20 5 CCBDMN O=C(NC1([C@H]2CCCCO2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000887087468 648067539 /nfs/dbraw/zinc/06/75/39/648067539.db2.gz RMPRMKSSDUEFCR-OPRDCNLKSA-N 0 1 254.286 0.870 20 5 CCBDMN CN1CCO[C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@@H]21 ZINC001164671303 719371103 /nfs/dbraw/zinc/37/11/03/719371103.db2.gz WFAHFCWMETWHCQ-IUCAKERBSA-N 0 1 299.718 0.557 20 5 CCBDMN COc1cnc(N2C[C@H]3OCCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164665223 719390272 /nfs/dbraw/zinc/39/02/72/719390272.db2.gz GEAHIYXMIZLSFS-VXGBXAGGSA-N 0 1 294.311 0.518 20 5 CCBDMN CN1CCO[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@@H]21 ZINC001164669870 719401060 /nfs/dbraw/zinc/40/10/60/719401060.db2.gz VUQIWOYCVLRQRQ-QWRGUYRKSA-N 0 1 279.300 0.091 20 5 CCBDMN CC(C)c1nc(C(N)=O)c(O[C@H](C)C[N+](C)(C)C)c(=O)[n-]1 ZINC001234564273 806273814 /nfs/dbraw/zinc/27/38/14/806273814.db2.gz BINHABPHUDAGFL-SECBINFHSA-O 0 1 297.379 0.878 20 5 CCBDMN C[C@@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001124083726 799554416 /nfs/dbraw/zinc/55/44/16/799554416.db2.gz VMWNPHWQJCQMMN-GMTAPVOTSA-N 0 1 283.328 0.416 20 5 CCBDMN O=C(N[C@H](CO)Cc1cnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC001152486151 800529471 /nfs/dbraw/zinc/52/94/71/800529471.db2.gz IZZCPZHLKOHHAP-JTQLQIEISA-N 0 1 290.279 0.651 20 5 CCBDMN Cc1ccc(NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC001156470055 801170338 /nfs/dbraw/zinc/17/03/38/801170338.db2.gz KSDUKZVNBDWFIH-NXEZZACHSA-N 0 1 264.285 0.583 20 5 CCBDMN O=C(N[C@H](CCO)C1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001157018662 801287686 /nfs/dbraw/zinc/28/76/86/801287686.db2.gz ACRQJYCOPPHOLE-SECBINFHSA-N 0 1 282.300 0.989 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2CC[C@H]2C1 ZINC001158425003 801645070 /nfs/dbraw/zinc/64/50/70/801645070.db2.gz LCDQJSQYWOQVIK-VIFPVBQESA-N 0 1 292.295 0.671 20 5 CCBDMN COC(=O)c1ccnc(N2CCN3CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001158435253 801649145 /nfs/dbraw/zinc/64/91/45/801649145.db2.gz WYSAWIXHIRSLLD-SECBINFHSA-N 0 1 292.295 0.671 20 5 CCBDMN O=[N+]([O-])c1ccc2nc(NC[C@@H]3COCCN3)cnc2c1 ZINC001159042307 801746779 /nfs/dbraw/zinc/74/67/79/801746779.db2.gz FBCOPZZBAULQNK-SECBINFHSA-N 0 1 289.295 0.938 20 5 CCBDMN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2COCCN2)n1 ZINC001159046782 801749479 /nfs/dbraw/zinc/74/94/79/801749479.db2.gz MOCYFKLCUYUGKL-QMMMGPOBSA-N 0 1 296.283 0.177 20 5 CCBDMN O=[N+]([O-])c1ccsc1NCc1n[nH]c(CO)n1 ZINC001163801130 802614789 /nfs/dbraw/zinc/61/47/89/802614789.db2.gz BOKGRYYHKKKTLI-UHFFFAOYSA-N 0 1 255.259 0.879 20 5 CCBDMN O=[N+]([O-])c1ccsc1NCc1nnc(CO)[nH]1 ZINC001163801130 802614791 /nfs/dbraw/zinc/61/47/91/802614791.db2.gz BOKGRYYHKKKTLI-UHFFFAOYSA-N 0 1 255.259 0.879 20 5 CCBDMN CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CC[NH2+]C1 ZINC001218175853 803933822 /nfs/dbraw/zinc/93/38/22/803933822.db2.gz CRVHWHDDKNHASW-ZETCQYMHSA-N 0 1 297.267 0.613 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@]23CCOC3)c1[N+](=O)[O-] ZINC001142464205 815009874 /nfs/dbraw/zinc/00/98/74/815009874.db2.gz IPTBWGHJNRSXID-NSHDSACASA-N 0 1 266.257 0.631 20 5 CCBDMN CN1CCN(CCO[C@@H](C[N+](=O)[O-])c2cccnc2)CC1 ZINC001224548375 805050152 /nfs/dbraw/zinc/05/01/52/805050152.db2.gz BAEMNPRWLVMYAD-AWEZNQCLSA-N 0 1 294.355 0.663 20 5 CCBDMN CC[N@@H+]1CCC[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228139895 805415962 /nfs/dbraw/zinc/41/59/62/805415962.db2.gz CEWHHYVIWGUZIX-MRVPVSSYSA-N 0 1 268.273 0.954 20 5 CCBDMN CC[N@H+]1CCC[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228139895 805415968 /nfs/dbraw/zinc/41/59/68/805415968.db2.gz CEWHHYVIWGUZIX-MRVPVSSYSA-N 0 1 268.273 0.954 20 5 CCBDMN C[C@@H](O)CC(=O)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228241441 805424783 /nfs/dbraw/zinc/42/47/83/805424783.db2.gz BFSGCWPJFYQQAN-ZCFIWIBFSA-N 0 1 293.235 0.920 20 5 CCBDMN CC[C@H](O)C(=O)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229378701 805527858 /nfs/dbraw/zinc/52/78/58/805527858.db2.gz JHBTUKSWAMMQCU-YFKPBYRVSA-N 0 1 257.202 0.075 20 5 CCBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NC1(CCO)COC1)C2 ZINC001254574088 808261301 /nfs/dbraw/zinc/26/13/01/808261301.db2.gz FRVQIOXEVFVGEX-LBPRGKRZSA-N 0 1 278.308 0.803 20 5 CCBDMN O=C1NC(=O)[C@@H](N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)S1 ZINC001254571706 808261863 /nfs/dbraw/zinc/26/18/63/808261863.db2.gz APQWAQNGCRAOJD-KCJUWKMLSA-N 0 1 293.304 0.961 20 5 CCBDMN C[C@H](c1nnc(N2CCN(C3CCC3)CC2)n1C)[N+](=O)[O-] ZINC001262864080 809418618 /nfs/dbraw/zinc/41/86/18/809418618.db2.gz XNRXJESBTBOVTG-SNVBAGLBSA-N 0 1 294.359 0.827 20 5 CCBDMN O=C([O-])C[N@H+]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000061145792 812336590 /nfs/dbraw/zinc/33/65/90/812336590.db2.gz YHIOWSNPKMTIHP-UHFFFAOYSA-N 0 1 280.284 0.587 20 5 CCBDMN CCOc1cc([N+](=O)[O-])ccc1-n1nnnc1CN ZINC001168919990 836051289 /nfs/dbraw/zinc/05/12/89/836051289.db2.gz GTWFBGHUXYQPEG-UHFFFAOYSA-N 0 1 264.245 0.428 20 5 CCBDMN CCOC(=O)c1noc(CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168988927 836102727 /nfs/dbraw/zinc/10/27/27/836102727.db2.gz VBPHYOSSEFJMOL-DTWKUNHWSA-N 0 1 298.299 0.781 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])cc(-n2c(C)cnc2CN)n1 ZINC001169020919 836115809 /nfs/dbraw/zinc/11/58/09/836115809.db2.gz URIIVSDZZJAFNT-UHFFFAOYSA-N 0 1 291.267 0.729 20 5 CCBDMN COc1nc(N2CCN3CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001158424023 838156600 /nfs/dbraw/zinc/15/66/00/838156600.db2.gz RTRXKEXTVLOOHG-SECBINFHSA-N 0 1 264.285 0.893 20 5 CCBDMN CC[C@@](N)(CO)Nc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001170861798 839452838 /nfs/dbraw/zinc/45/28/38/839452838.db2.gz DRUQGWZXTHKJAD-NSHDSACASA-N 0 1 265.273 0.940 20 5 CCBDMN CC[C@](N)(CO)Nc1ccc([N+](=O)[O-])c(OC)n1 ZINC001159744671 839567050 /nfs/dbraw/zinc/56/70/50/839567050.db2.gz YPAXDPCIJDYUPZ-SNVBAGLBSA-N 0 1 256.262 0.468 20 5 CCBDMN O=C(NCCNc1ncccc1[N+](=O)[O-])c1[nH]ncc1F ZINC001094103763 841545051 /nfs/dbraw/zinc/54/50/51/841545051.db2.gz HSKGEVIMIDWEQB-UHFFFAOYSA-N 0 1 294.246 0.694 20 5 CCBDMN O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1cnn[nH]1 ZINC001094881677 841867133 /nfs/dbraw/zinc/86/71/33/841867133.db2.gz UEIYGNLJILFXTB-UHFFFAOYSA-N 0 1 290.283 0.945 20 5 CCBDMN O=[N+]([O-])c1ncccc1CN1C[C@H](CO)[C@H](CCO)C1 ZINC001176966249 842471361 /nfs/dbraw/zinc/47/13/61/842471361.db2.gz VNXOUTSVIQKIJE-ZYHUDNBSSA-N 0 1 281.312 0.413 20 5 CCBDMN CN1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001187677878 844744507 /nfs/dbraw/zinc/74/45/07/844744507.db2.gz PHUGFQVGHNPVQB-SSDOTTSWSA-N 0 1 265.273 0.205 20 5 CCBDMN Cc1nccnc1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001274177265 848365652 /nfs/dbraw/zinc/36/56/52/848365652.db2.gz YVKDLAJEUDXDSW-PSASIEDQSA-N 0 1 250.258 0.109 20 5 CCBDMN O=c1cc2c(n[nH]1)CCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC001324153094 912699683 /nfs/dbraw/zinc/69/96/83/912699683.db2.gz IOXJHMJYUDQQQX-UHFFFAOYSA-N 0 1 290.283 0.345 20 5 CCBDMN Cc1nc(N2CCN(CCO)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC001325182694 913263527 /nfs/dbraw/zinc/26/35/27/913263527.db2.gz VERGHEORIOPBQJ-UHFFFAOYSA-N 0 1 295.343 0.586 20 5 CCBDMN O=C(NCc1cnn(CCF)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000888330051 897617248 /nfs/dbraw/zinc/61/72/48/897617248.db2.gz GTHFPUOXZCKGGL-RKDXNWHRSA-N 0 1 256.237 0.134 20 5 CCBDMN CCc1ccoc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491282779 903486695 /nfs/dbraw/zinc/48/66/95/903486695.db2.gz LUHQNHDXDHUJRX-NXEZZACHSA-N 0 1 295.295 0.353 20 5 CCBDMN CC(C)(C)CC(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001283183880 904735610 /nfs/dbraw/zinc/73/56/10/904735610.db2.gz XWUYDTXWGDAGJR-NXEZZACHSA-N 0 1 285.344 0.710 20 5 CCBDMN CC1(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC001285923726 905815840 /nfs/dbraw/zinc/81/58/40/905815840.db2.gz NSPSBMQMGKSFIX-NXEZZACHSA-N 0 1 295.339 0.607 20 5 CCBDMN O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001337109191 921187874 /nfs/dbraw/zinc/18/78/74/921187874.db2.gz NPGOSGRRVJJSEN-QPUJVOFHSA-N 0 1 296.283 0.386 20 5 CCBDMN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1nnc[nH]1 ZINC001292149512 906192169 /nfs/dbraw/zinc/19/21/69/906192169.db2.gz WNZJUJRUYUOZDX-UHFFFAOYSA-N 0 1 262.229 0.225 20 5 CCBDMN CC(C)(CCC(=O)N1CCC[C@H](c2nn[nH]n2)C1)[N+](=O)[O-] ZINC001295412527 906718145 /nfs/dbraw/zinc/71/81/45/906718145.db2.gz ZOCCFLAQXAHYNE-VIFPVBQESA-N 0 1 296.331 0.741 20 5 CCBDMN O=C(NCCN1CCC(O)CC1)c1ccc([N+](=O)[O-])cn1 ZINC001298013957 907141398 /nfs/dbraw/zinc/14/13/98/907141398.db2.gz VRKHPAWGJPIGEK-UHFFFAOYSA-N 0 1 294.311 0.176 20 5 CCBDMN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](O)[C@H](CO)C2)c1 ZINC001307850546 908360715 /nfs/dbraw/zinc/36/07/15/908360715.db2.gz SGOILDPYQDICRA-SMDDNHRTSA-N 0 1 296.323 0.649 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1N[C@@H](C)CN1CCN(C)CC1 ZINC001322439326 911804099 /nfs/dbraw/zinc/80/40/99/911804099.db2.gz ARBNAPHTRFSWQL-LBPRGKRZSA-N 0 1 293.371 0.768 20 5 CCBDMN Cn1cc(CN2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])n1 ZINC001331757211 917580200 /nfs/dbraw/zinc/58/02/00/917580200.db2.gz LYPRFCVZOKXGMY-GFCCVEGCSA-N 0 1 266.301 0.675 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCCN1C ZINC001336744892 920975267 /nfs/dbraw/zinc/97/52/67/920975267.db2.gz KEXFEJWJRZJYGN-SECBINFHSA-N 0 1 281.316 0.542 20 5 CCBDMN COC[C@@H]1CNCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC001341624754 922588041 /nfs/dbraw/zinc/58/80/41/922588041.db2.gz ZZYUDYNNWCTCBB-ZDUSSCGKSA-N 0 1 293.323 0.964 20 5 CCBDMN CCN1CCN(c2nnc(C[N+](=O)[O-])n2CC(C)C)CC1 ZINC001342987624 923156861 /nfs/dbraw/zinc/15/68/61/923156861.db2.gz MZOJVAAWCUHUTA-UHFFFAOYSA-N 0 1 296.375 0.853 20 5 CCBDMN Cc1nn(C)c(C(=O)NCc2cn[nH]c2C)c1[N+](=O)[O-] ZINC001343046608 923180545 /nfs/dbraw/zinc/18/05/45/923180545.db2.gz GXUQSWKZHGRIQY-UHFFFAOYSA-N 0 1 278.272 0.598 20 5 CCBDMN C[N@@H+]1C[C@H]2CN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C[C@H]2C1 ZINC001345312167 923854746 /nfs/dbraw/zinc/85/47/46/923854746.db2.gz ABDZNBFZZLMSEI-AOOOYVTPSA-N 0 1 292.295 0.686 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(CCOCC2)CC[C@H]1CO ZINC001347320270 924421690 /nfs/dbraw/zinc/42/16/90/924421690.db2.gz PVQRHXOYQLGGQK-QJPTWQEYSA-N 0 1 298.339 0.432 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2C)n1 ZINC001347502610 924463670 /nfs/dbraw/zinc/46/36/70/924463670.db2.gz LCFUFQSBMRFERP-SECBINFHSA-N 0 1 281.316 0.542 20 5 CCBDMN Cc1nc(N2CC(N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001348546897 924723284 /nfs/dbraw/zinc/72/32/84/924723284.db2.gz CBDKDHQCFCTHNC-UHFFFAOYSA-N 0 1 263.301 0.978 20 5 CCBDMN C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@](C)(O)C(=O)[O-] ZINC001349582480 924994647 /nfs/dbraw/zinc/99/46/47/924994647.db2.gz HIMIYMVDRAMQLA-LBPRGKRZSA-N 0 1 268.269 0.862 20 5 CCBDMN CC(C)N1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001350587341 925232866 /nfs/dbraw/zinc/23/28/66/925232866.db2.gz JPWIOBOQCBTDOS-JTQLQIEISA-N 0 1 282.348 0.683 20 5 CCBDMN C[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001589355842 954141335 /nfs/dbraw/zinc/14/13/35/954141335.db2.gz VSKXGQVBJUGTBP-IUCAKERBSA-N 0 1 268.273 0.791 20 5 CCBDMN C[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001589355842 954141342 /nfs/dbraw/zinc/14/13/42/954141342.db2.gz VSKXGQVBJUGTBP-IUCAKERBSA-N 0 1 268.273 0.791 20 5 CCBDMN C[C@@](CO)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001592751244 979322275 /nfs/dbraw/zinc/32/22/75/979322275.db2.gz UPUVOGIRXJDPEZ-NSHDSACASA-N 0 1 290.222 0.798 20 5 CCBDMN C[N@H+]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC001598577362 993298547 /nfs/dbraw/zinc/29/85/47/993298547.db2.gz ZNRIAUBNDJZZPW-MNOVXSKESA-N 0 1 294.263 0.909 20 5 CCBDMN C[C@]([NH2+]CC[N+](=O)[O-])(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593275231 994628040 /nfs/dbraw/zinc/62/80/40/994628040.db2.gz QHMSQVMYZPQJDR-LLVKDONJSA-N 0 1 283.240 0.761 20 5 CCBDMN C[C@@H](O)C[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593457459 995364883 /nfs/dbraw/zinc/36/48/83/995364883.db2.gz VHGLDJDGCMJRNK-SECBINFHSA-N 0 1 298.295 0.871 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCc3n[nH]cc3C2)c1 ZINC000091079108 349450051 /nfs/dbraw/zinc/45/00/51/349450051.db2.gz CONJGKRWEYFYAH-UHFFFAOYSA-N 0 1 262.273 0.573 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCNC[C@H]1C ZINC000124670354 187148386 /nfs/dbraw/zinc/14/83/86/187148386.db2.gz ZBEBQKUOJHQDNK-MRVPVSSYSA-N 0 1 264.285 0.732 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)n1 ZINC000599631964 361765187 /nfs/dbraw/zinc/76/51/87/361765187.db2.gz LPTMFIXWRVFFSY-QZXWKGOOSA-N 0 1 298.368 0.777 20 5 CCBDMN Cc1ccc([C@H](C)NC(=O)CNC(=O)CN)cc1[N+](=O)[O-] ZINC000125143272 187171963 /nfs/dbraw/zinc/17/19/63/187171963.db2.gz HZQMDRVJGXQHBK-VIFPVBQESA-N 0 1 294.311 0.155 20 5 CCBDMN CC(C)CC[C@@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600307515 361925183 /nfs/dbraw/zinc/92/51/83/361925183.db2.gz VSJAGEWYKVLDMR-QMMMGPOBSA-N 0 1 270.289 0.845 20 5 CCBDMN O=C(NCCN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600529812 362003680 /nfs/dbraw/zinc/00/36/80/362003680.db2.gz DGGPIEFAZVHAEV-SNVBAGLBSA-N 0 1 297.286 0.530 20 5 CCBDMN O=[N+]([O-])c1cc(F)cnc1NCCN1CC[C@H](O)C1 ZINC000601204849 362177005 /nfs/dbraw/zinc/17/70/05/362177005.db2.gz SPHCMVKWWHAUBM-VIFPVBQESA-N 0 1 270.264 0.607 20 5 CCBDMN CCc1nc(CNC(=O)c2ccc([N+](=O)[O-])n2C)n[nH]1 ZINC000452183212 529739668 /nfs/dbraw/zinc/73/96/68/529739668.db2.gz OFJICGPCDUXDNB-UHFFFAOYSA-N 0 1 278.272 0.544 20 5 CCBDMN C[C@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000602198303 362554069 /nfs/dbraw/zinc/55/40/69/362554069.db2.gz ZBNOQWHIWSNBJX-QMTHXVAHSA-N 0 1 295.339 0.869 20 5 CCBDMN CC(C)[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000602526280 362658368 /nfs/dbraw/zinc/65/83/68/362658368.db2.gz GZRGDSWLJKCLLS-LLVKDONJSA-N 0 1 266.301 0.993 20 5 CCBDMN Cn1cc2c(n1)CCC[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000367330886 232304028 /nfs/dbraw/zinc/30/40/28/232304028.db2.gz QFRBWRYWTHPFCT-POZPLHJXSA-N 0 1 264.285 0.579 20 5 CCBDMN C[C@H](O)CN1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602813351 362813835 /nfs/dbraw/zinc/81/38/35/362813835.db2.gz XVKMVUUHOQTJQN-QWRGUYRKSA-N 0 1 297.359 0.215 20 5 CCBDMN Cn1cc(CN[C@@H]2COCC2(C)C)c([N+](=O)[O-])n1 ZINC000602837824 362828255 /nfs/dbraw/zinc/82/82/55/362828255.db2.gz ARFMFQLXSVGKPB-SECBINFHSA-N 0 1 254.290 0.843 20 5 CCBDMN COC[C@@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262325778 137038000 /nfs/dbraw/zinc/03/80/00/137038000.db2.gz DFHCYNVNLXIRMP-SECBINFHSA-N 0 1 265.269 0.458 20 5 CCBDMN CC[C@H](C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC000343173947 137119074 /nfs/dbraw/zinc/11/90/74/137119074.db2.gz FFVHSHRCEBPMSN-POYBYMJQSA-N 0 1 284.272 0.635 20 5 CCBDMN O=C(NCc1cccc(CO)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000343687838 137149559 /nfs/dbraw/zinc/14/95/59/137149559.db2.gz YXGXBZGYJSBDQX-UHFFFAOYSA-N 0 1 276.252 0.740 20 5 CCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000343733346 137153642 /nfs/dbraw/zinc/15/36/42/137153642.db2.gz NMYUDYPNDKXPIZ-LURJTMIESA-N 0 1 264.245 0.542 20 5 CCBDMN NC(=O)[C@@H]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343407129 137132690 /nfs/dbraw/zinc/13/26/90/137132690.db2.gz VYNWKXBCBRXOEL-RQJHMYQMSA-N 0 1 281.272 0.092 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](O)C1 ZINC000049773477 348458558 /nfs/dbraw/zinc/45/85/58/348458558.db2.gz DUGAXIFXMUHHCG-SNVBAGLBSA-N 0 1 254.290 0.556 20 5 CCBDMN O=C(NCc1cccnc1-n1cccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000052664078 348512892 /nfs/dbraw/zinc/51/28/92/348512892.db2.gz IITKVDMLCPETRE-GHMZBOCLSA-N 0 1 287.279 0.549 20 5 CCBDMN C[C@H](O)[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000412090431 233042689 /nfs/dbraw/zinc/04/26/89/233042689.db2.gz PGDGUGQVVVOLCS-ZANVPECISA-N 0 1 282.296 0.882 20 5 CCBDMN C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000121756773 350054783 /nfs/dbraw/zinc/05/47/83/350054783.db2.gz IDMIBSOXAOUAPS-UHFFFAOYSA-N 0 1 280.284 0.519 20 5 CCBDMN O=C(NCCOC[C@@H]1CCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000159636536 350683710 /nfs/dbraw/zinc/68/37/10/350683710.db2.gz JHNJYLOYIIVKTR-QMMMGPOBSA-N 0 1 284.272 0.243 20 5 CCBDMN CNCc1cn(CCOc2cccc([N+](=O)[O-])c2)nn1 ZINC000603202108 362998414 /nfs/dbraw/zinc/99/84/14/362998414.db2.gz USFFNYDHVFZAMK-UHFFFAOYSA-N 0 1 277.284 0.985 20 5 CCBDMN O=[N+]([O-])c1ccccc1OCCN1C[C@@H](O)C[C@H]1CO ZINC000186545921 351502980 /nfs/dbraw/zinc/50/29/80/351502980.db2.gz ZYVQVEPLCZDFTN-QWRGUYRKSA-N 0 1 282.296 0.401 20 5 CCBDMN O=C(N[C@@H]1CCCC[C@H]1O)c1n[nH]cc1[N+](=O)[O-] ZINC000187142043 351530481 /nfs/dbraw/zinc/53/04/81/351530481.db2.gz IIBJZRCYXKVQTE-HTRCEHHLSA-N 0 1 254.246 0.351 20 5 CCBDMN CC[C@@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000188246394 351583018 /nfs/dbraw/zinc/58/30/18/351583018.db2.gz TVQOJUKMQXXRON-ZETCQYMHSA-N 0 1 278.268 0.972 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1 ZINC000188402506 351592651 /nfs/dbraw/zinc/59/26/51/351592651.db2.gz DJBDMAHMMPZUEM-SSDOTTSWSA-N 0 1 282.275 0.750 20 5 CCBDMN O=C([C@H]1CNCCO1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000187790281 351554748 /nfs/dbraw/zinc/55/47/48/351554748.db2.gz CXCBUAUZECXMNI-GFCCVEGCSA-N 0 1 277.280 0.472 20 5 CCBDMN [NH3+]CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122680668 187045490 /nfs/dbraw/zinc/04/54/90/187045490.db2.gz UWZNWQMVQTVSOI-UHFFFAOYSA-N 0 1 277.277 0.361 20 5 CCBDMN Cc1c(C(=O)NC[C@@H]2COCCN2)cccc1[N+](=O)[O-] ZINC000235816998 352188361 /nfs/dbraw/zinc/18/83/61/352188361.db2.gz LDUDREOEHAPCTH-SNVBAGLBSA-N 0 1 279.296 0.621 20 5 CCBDMN Cc1cccc(C(=O)NC[C@H]2COCCN2)c1[N+](=O)[O-] ZINC000235926825 352190537 /nfs/dbraw/zinc/19/05/37/352190537.db2.gz QALNSTRXIQDUIC-JTQLQIEISA-N 0 1 279.296 0.621 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOC[C@H]2C2CC2)c1 ZINC000245898230 352340677 /nfs/dbraw/zinc/34/06/77/352340677.db2.gz PPPNLPCHEDXLNN-STQMWFEESA-N 0 1 296.327 0.263 20 5 CCBDMN C[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000604268007 363184672 /nfs/dbraw/zinc/18/46/72/363184672.db2.gz STVVGEGZVYZSEB-MRVPVSSYSA-N 0 1 252.274 0.747 20 5 CCBDMN CN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000604268007 363184678 /nfs/dbraw/zinc/18/46/78/363184678.db2.gz STVVGEGZVYZSEB-MRVPVSSYSA-N 0 1 252.274 0.747 20 5 CCBDMN COC(=O)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000249130965 352479096 /nfs/dbraw/zinc/47/90/96/352479096.db2.gz UVJNDBNZPKCPJV-WDEREUQCSA-N 0 1 296.327 0.922 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)C[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000267296311 352757700 /nfs/dbraw/zinc/75/77/00/352757700.db2.gz DQWYSYXUTZANFX-MRVPVSSYSA-N 0 1 282.300 0.989 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000270088952 352903168 /nfs/dbraw/zinc/90/31/68/352903168.db2.gz GPGOPLAOFMWJBZ-LURJTMIESA-N 0 1 254.246 0.087 20 5 CCBDMN O=C(NC[C@@H]1CCC[C@H]1O)c1n[nH]cc1[N+](=O)[O-] ZINC000270725620 352974438 /nfs/dbraw/zinc/97/44/38/352974438.db2.gz FJTMYRUJMRHVTQ-POYBYMJQSA-N 0 1 254.246 0.209 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCNC(=O)CC1 ZINC000272492811 353068103 /nfs/dbraw/zinc/06/81/03/353068103.db2.gz HMIBGUHXRLDFAW-UHFFFAOYSA-N 0 1 279.252 0.263 20 5 CCBDMN COC[C@@H](O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272697112 353086079 /nfs/dbraw/zinc/08/60/79/353086079.db2.gz SECSIMGXIPWSEO-JTQLQIEISA-N 0 1 270.241 0.038 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOC[C@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000274379271 353124311 /nfs/dbraw/zinc/12/43/11/353124311.db2.gz GBAWDIVXWBGIDY-VXNVDRBHSA-N 0 1 298.299 0.238 20 5 CCBDMN CC[C@@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000157934976 188347832 /nfs/dbraw/zinc/34/78/32/188347832.db2.gz UWLBNNGHKMKPEG-ZETCQYMHSA-N 0 1 292.288 0.783 20 5 CCBDMN Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])n[nH]2)n[nH]1 ZINC000286522955 353592966 /nfs/dbraw/zinc/59/29/66/353592966.db2.gz XYNBAXHQEHCWGZ-SCSAIBSYSA-N 0 1 265.233 0.235 20 5 CCBDMN CCc1nc(CNC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 ZINC000295531400 353901576 /nfs/dbraw/zinc/90/15/76/353901576.db2.gz JRDDHQXMTLMZRC-UHFFFAOYSA-N 0 1 265.229 0.798 20 5 CCBDMN O=C(NCC1(CO)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000305082181 354128436 /nfs/dbraw/zinc/12/84/36/354128436.db2.gz MTAHZDMBZQQARO-UHFFFAOYSA-N 0 1 290.279 0.973 20 5 CCBDMN CN1CC[N@@H+](C)C[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000313091362 354212290 /nfs/dbraw/zinc/21/22/90/354212290.db2.gz YBIXBLCWPARVGK-SECBINFHSA-N 0 1 280.332 0.230 20 5 CCBDMN CN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000330482631 354375612 /nfs/dbraw/zinc/37/56/12/354375612.db2.gz UHFPOASUZLOWPY-UHFFFAOYSA-N 0 1 293.327 0.200 20 5 CCBDMN COCCN1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000331077399 354441244 /nfs/dbraw/zinc/44/12/44/354441244.db2.gz WEKKKLOWKOSLGP-NSHDSACASA-N 0 1 297.359 0.481 20 5 CCBDMN COC[C@@](C)(NCc1cc(O)ccc1[N+](=O)[O-])C(=O)OC ZINC000339060715 355478650 /nfs/dbraw/zinc/47/86/50/355478650.db2.gz NKMDXFYKRLRVOX-CYBMUJFWSA-N 0 1 298.295 0.968 20 5 CCBDMN CN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000340218961 355527036 /nfs/dbraw/zinc/52/70/36/355527036.db2.gz KLMFTJCFZZTJHG-GFCCVEGCSA-N 0 1 263.297 0.958 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CC[C@@H](c3nnc[nH]3)C2)n1 ZINC000425549869 235306741 /nfs/dbraw/zinc/30/67/41/235306741.db2.gz OMGSBMOYBQSTID-SECBINFHSA-N 0 1 277.288 0.399 20 5 CCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1(c2nn[nH]n2)CC1 ZINC000348280618 355902942 /nfs/dbraw/zinc/90/29/42/355902942.db2.gz ZZCJWRDKAZQRQH-UHFFFAOYSA-N 0 1 288.267 0.456 20 5 CCBDMN CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CN2CCC1CC2 ZINC000352947658 356116808 /nfs/dbraw/zinc/11/68/08/356116808.db2.gz QCTATOKQSMEOSG-JTQLQIEISA-N 0 1 279.300 0.484 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1[N+](=O)[O-] ZINC000352818408 356088870 /nfs/dbraw/zinc/08/88/70/356088870.db2.gz LFVFPPFGSUJLCH-HTRCEHHLSA-N 0 1 295.299 0.352 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(N2CCCC2=O)CC1 ZINC000362395306 138057328 /nfs/dbraw/zinc/05/73/28/138057328.db2.gz IKWVMXGZBPHUEX-GHMZBOCLSA-N 0 1 281.312 0.265 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1C ZINC000354429731 356412428 /nfs/dbraw/zinc/41/24/28/356412428.db2.gz MXGJHWRCCJBGGK-RKDXNWHRSA-N 0 1 281.316 0.873 20 5 CCBDMN CC[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN1CCOC ZINC000609257488 363480767 /nfs/dbraw/zinc/48/07/67/363480767.db2.gz VAWYJXONTDTOQR-NSHDSACASA-N 0 1 297.359 0.875 20 5 CCBDMN CCc1n[nH]c(C(=O)N[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000609476649 363497828 /nfs/dbraw/zinc/49/78/28/363497828.db2.gz MAHGCPJRYUWDMR-MRVPVSSYSA-N 0 1 281.316 0.704 20 5 CCBDMN CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000619789046 366354285 /nfs/dbraw/zinc/35/42/85/366354285.db2.gz XXPKZPDIBCJRKH-VIFPVBQESA-N 0 1 279.300 0.627 20 5 CCBDMN COCCCOC1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000359796005 356895521 /nfs/dbraw/zinc/89/55/21/356895521.db2.gz FIHVNQXBRQOWKE-UHFFFAOYSA-N 0 1 298.299 0.504 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408130593 357930526 /nfs/dbraw/zinc/93/05/26/357930526.db2.gz VTERLYMJICLVBC-WCBMZHEXSA-N 0 1 295.343 0.849 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCOCC3(CC3)C2)c1[N+](=O)[O-] ZINC000408177057 357955212 /nfs/dbraw/zinc/95/52/12/357955212.db2.gz LBWBAICWSKTYLH-UHFFFAOYSA-N 0 1 280.284 0.879 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](O)CC2)c1[N+](=O)[O-] ZINC000408179351 357955898 /nfs/dbraw/zinc/95/58/98/357955898.db2.gz YHIVAYPCLAAGFS-QMMMGPOBSA-N 0 1 268.273 0.613 20 5 CCBDMN CCOC1CN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000294814911 199195020 /nfs/dbraw/zinc/19/50/20/199195020.db2.gz LOMCDIXUTUXBKD-UHFFFAOYSA-N 0 1 268.273 0.741 20 5 CCBDMN O=C(NCC[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000567828840 358595976 /nfs/dbraw/zinc/59/59/76/358595976.db2.gz LOQLOEFQJNIDQG-MRVPVSSYSA-N 0 1 280.284 0.425 20 5 CCBDMN CN1CC2(C1)CCN(C(=O)c1ccc([N+](=O)[O-])n1C)C2 ZINC000590335481 359441375 /nfs/dbraw/zinc/44/13/75/359441375.db2.gz KKJWOSNKCGAUAB-UHFFFAOYSA-N 0 1 278.312 0.711 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(F)cn2)c1 ZINC000591754448 359653971 /nfs/dbraw/zinc/65/39/71/359653971.db2.gz MLBCDGPWAPENGI-LBPRGKRZSA-N 0 1 295.274 0.476 20 5 CCBDMN C[C@@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000563109393 291194160 /nfs/dbraw/zinc/19/41/60/291194160.db2.gz AVDBUGGXMGBKNU-LBPRGKRZSA-N 0 1 280.284 0.506 20 5 CCBDMN O=[N+]([O-])c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)[n-]n1 ZINC000592356074 359823218 /nfs/dbraw/zinc/82/32/18/359823218.db2.gz PPZUQWWYAVRWDT-YFKPBYRVSA-N 0 1 250.218 0.792 20 5 CCBDMN C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000592296122 359813527 /nfs/dbraw/zinc/81/35/27/359813527.db2.gz CFCHWSVPHOPRGE-MRVPVSSYSA-N 0 1 280.284 0.377 20 5 CCBDMN COC(=O)[C@@H]1CNCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000592547675 359881119 /nfs/dbraw/zinc/88/11/19/359881119.db2.gz JJXACCSSIWBYDN-QMMMGPOBSA-N 0 1 297.267 0.165 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C3CC3)C2)n1 ZINC000611238744 363691598 /nfs/dbraw/zinc/69/15/98/363691598.db2.gz ATIWGGFGRJWUQY-MRVPVSSYSA-N 0 1 279.300 0.295 20 5 CCBDMN O=C([O-])CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC000593743340 360145548 /nfs/dbraw/zinc/14/55/48/360145548.db2.gz AUTIHVXFYMFWBR-UHFFFAOYSA-N 0 1 282.300 0.978 20 5 CCBDMN CC(C)n1cnc(=NC(=O)c2cc([N+](=O)[O-])c[nH]2)[nH]1 ZINC000593783680 360150680 /nfs/dbraw/zinc/15/06/80/360150680.db2.gz BYCKEWNNKMYBSW-UHFFFAOYSA-N 0 1 264.245 0.770 20 5 CCBDMN C[C@@H](CN(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593595233 360118558 /nfs/dbraw/zinc/11/85/58/360118558.db2.gz FBVUKTWNAKXXSD-QMMMGPOBSA-N 0 1 288.329 0.218 20 5 CCBDMN O=C(N[C@@H](CO)CCF)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593862339 360179916 /nfs/dbraw/zinc/17/99/16/360179916.db2.gz KRDPCZPFWFFGHS-SSDOTTSWSA-N 0 1 296.258 0.921 20 5 CCBDMN C[C@H](O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594762334 360378356 /nfs/dbraw/zinc/37/83/56/360378356.db2.gz PMJULMOTTTWTGB-ZETCQYMHSA-N 0 1 275.286 0.039 20 5 CCBDMN CO[C@@H](C)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594770933 360379489 /nfs/dbraw/zinc/37/94/89/360379489.db2.gz KNXKTCVNINDWNC-ZETCQYMHSA-N 0 1 275.286 0.303 20 5 CCBDMN CN(CCn1ccc([N+](=O)[O-])n1)Cc1cnc[nH]1 ZINC000595597501 360592038 /nfs/dbraw/zinc/59/20/38/360592038.db2.gz SCZOSOZSCLNNJC-UHFFFAOYSA-N 0 1 250.262 0.646 20 5 CCBDMN CC(C)(O)CN1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596105742 360796044 /nfs/dbraw/zinc/79/60/44/360796044.db2.gz XYZGVCXBFMYYQB-UHFFFAOYSA-N 0 1 296.327 0.588 20 5 CCBDMN CN(CC1CN(C)C1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000596465047 360902302 /nfs/dbraw/zinc/90/23/02/360902302.db2.gz HAVKNOOJWWPTKE-UHFFFAOYSA-N 0 1 266.301 0.567 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000179612857 189207564 /nfs/dbraw/zinc/20/75/64/189207564.db2.gz DHZDYBGLBAMCJD-ZCFIWIBFSA-N 0 1 283.288 0.351 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2CCOCCN2)c1[N+](=O)[O-] ZINC000597705274 361202517 /nfs/dbraw/zinc/20/25/17/361202517.db2.gz DQKADMKQNOSFLW-UHFFFAOYSA-N 0 1 283.288 0.247 20 5 CCBDMN COCc1nc(CNC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000598053655 361324613 /nfs/dbraw/zinc/32/46/13/361324613.db2.gz GEDBDUOPVJOOQR-UHFFFAOYSA-N 0 1 291.267 0.789 20 5 CCBDMN COCc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000598053655 361324617 /nfs/dbraw/zinc/32/46/17/361324617.db2.gz GEDBDUOPVJOOQR-UHFFFAOYSA-N 0 1 291.267 0.789 20 5 CCBDMN CC(C)(CN1CCOCC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598743153 361506317 /nfs/dbraw/zinc/50/63/17/361506317.db2.gz ZASNELNUZYCXCW-UHFFFAOYSA-N 0 1 297.315 0.159 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000598787672 361517685 /nfs/dbraw/zinc/51/76/85/361517685.db2.gz YKUTTZIMWIRAGC-CBAPKCEASA-N 0 1 282.300 0.717 20 5 CCBDMN C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599231988 361616554 /nfs/dbraw/zinc/61/65/54/361616554.db2.gz GHKOSJOKDRZMQZ-SFYZADRCSA-N 0 1 288.329 0.795 20 5 CCBDMN COCC(C)(C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599230346 361616568 /nfs/dbraw/zinc/61/65/68/361616568.db2.gz JUQXQOJRTBHKOE-UHFFFAOYSA-N 0 1 292.317 0.032 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC2CC2)n1 ZINC000599239637 361618756 /nfs/dbraw/zinc/61/87/56/361618756.db2.gz YFRGXVGRBJBFAB-UHFFFAOYSA-N 0 1 288.329 0.797 20 5 CCBDMN CCN1CCN(c2ncc([N+](=O)[O-])cn2)C[C@H]1C ZINC000612789641 364011739 /nfs/dbraw/zinc/01/17/39/364011739.db2.gz HISBTJQEZXOGFB-SECBINFHSA-N 0 1 251.290 0.915 20 5 CCBDMN O=C(NCCOC(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000356784559 144032763 /nfs/dbraw/zinc/03/27/63/144032763.db2.gz BJZFHQQIFWEBJR-UHFFFAOYSA-N 0 1 268.151 0.584 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@]2(C1)CCCOC2 ZINC000375309779 296073764 /nfs/dbraw/zinc/07/37/64/296073764.db2.gz NZJXXLCUOFVWQR-FOGDFJRCSA-N 0 1 254.286 0.681 20 5 CCBDMN COC(=O)NCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000496750808 240386001 /nfs/dbraw/zinc/38/60/01/240386001.db2.gz GMDOMYVCRONJGO-UHFFFAOYSA-N 0 1 284.224 0.700 20 5 CCBDMN CCO[C@@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1OC ZINC000331797580 204173187 /nfs/dbraw/zinc/17/31/87/204173187.db2.gz RFASTTCICZHZMI-SKWCMTHISA-N 0 1 284.272 0.240 20 5 CCBDMN C[C@@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000445007799 249027102 /nfs/dbraw/zinc/02/71/02/249027102.db2.gz ZXOKTUIJVAHQGY-SCZZXKLOSA-N 0 1 294.311 0.908 20 5 CCBDMN C[C@@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000445007799 249027103 /nfs/dbraw/zinc/02/71/03/249027103.db2.gz ZXOKTUIJVAHQGY-SCZZXKLOSA-N 0 1 294.311 0.908 20 5 CCBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@](O)(CO)C1 ZINC000313643468 249000722 /nfs/dbraw/zinc/00/07/22/249000722.db2.gz STMVUILFMCNZKE-CYBMUJFWSA-N 0 1 266.297 0.914 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1NCc1nnc[nH]1 ZINC000288099657 197004013 /nfs/dbraw/zinc/00/40/13/197004013.db2.gz JRFHRGXGAOFCNI-UHFFFAOYSA-N 0 1 251.250 0.850 20 5 CCBDMN COC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279339823 194391119 /nfs/dbraw/zinc/39/11/19/194391119.db2.gz DTLUXSQKKHKBAH-CBAPKCEASA-N 0 1 284.272 0.242 20 5 CCBDMN O=[N+]([O-])c1cnc(N2CC[C@@H](N3CC=CC3)C2)nc1 ZINC000273591767 285176359 /nfs/dbraw/zinc/17/63/59/285176359.db2.gz HMOSMACXAKPWGZ-SNVBAGLBSA-N 0 1 261.285 0.835 20 5 CCBDMN CCN1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000288265839 197039714 /nfs/dbraw/zinc/03/97/14/197039714.db2.gz FUAHBXOWNDLCFN-QMMMGPOBSA-N 0 1 281.316 0.793 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000159763263 389373042 /nfs/dbraw/zinc/37/30/42/389373042.db2.gz VYNUBIMQFPJWHA-SVRRBLITSA-N 0 1 254.246 0.615 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)CC[C@H]2C)c1[N+](=O)[O-] ZINC000422004460 389389146 /nfs/dbraw/zinc/38/91/46/389389146.db2.gz KGPZCUSAKWTCHN-HTQZYQBOSA-N 0 1 282.300 0.866 20 5 CCBDMN C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)N1 ZINC000422830593 389486358 /nfs/dbraw/zinc/48/63/58/389486358.db2.gz VUSGRZMXFRGYGT-RNFRBKRXSA-N 0 1 253.262 0.140 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CCNC(=O)C(C)C)c1[N+](=O)[O-] ZINC000271041362 389438038 /nfs/dbraw/zinc/43/80/38/389438038.db2.gz RWIQWMSUBXIELH-UHFFFAOYSA-N 0 1 297.315 0.471 20 5 CCBDMN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1nnc[nH]1 ZINC000174557613 389523843 /nfs/dbraw/zinc/52/38/43/389523843.db2.gz RCWXIWDPXGLJGH-YFKPBYRVSA-N 0 1 294.246 0.925 20 5 CCBDMN Cc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2N)[nH]1 ZINC000176477165 389558363 /nfs/dbraw/zinc/55/83/63/389558363.db2.gz FPESPHABBLXUQW-UHFFFAOYSA-N 0 1 262.229 0.856 20 5 CCBDMN Cc1n[nH]c(NC(=O)c2cccc([N+](=O)[O-])c2N)n1 ZINC000176477165 389558366 /nfs/dbraw/zinc/55/83/66/389558366.db2.gz FPESPHABBLXUQW-UHFFFAOYSA-N 0 1 262.229 0.856 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCn3cnnc3C2)c1[N+](=O)[O-] ZINC000351010958 389561279 /nfs/dbraw/zinc/56/12/79/389561279.db2.gz DTSLEKSNOZDBBX-UHFFFAOYSA-N 0 1 291.271 0.128 20 5 CCBDMN CC[C@](C)(CCO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000351635788 389643223 /nfs/dbraw/zinc/64/32/23/389643223.db2.gz LSHCWIHQRWDJOE-SNVBAGLBSA-N 0 1 256.262 0.599 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000425540663 389651556 /nfs/dbraw/zinc/65/15/56/389651556.db2.gz FDRXCRPHPPMWCW-VIFPVBQESA-N 0 1 277.288 0.399 20 5 CCBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCNCC1 ZINC000415284469 389669036 /nfs/dbraw/zinc/66/90/36/389669036.db2.gz PEBDNDXSLVXHDD-UHFFFAOYSA-N 0 1 292.295 0.274 20 5 CCBDMN O=C(CCc1nc[nH]n1)NCc1ccccc1[N+](=O)[O-] ZINC000429093948 389736532 /nfs/dbraw/zinc/73/65/32/389736532.db2.gz JKHABQNQKLDYHN-UHFFFAOYSA-N 0 1 275.268 0.962 20 5 CCBDMN C[NH+](C)[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000445182422 389922243 /nfs/dbraw/zinc/92/22/43/389922243.db2.gz NDQDUIACUPVOBU-NSHDSACASA-N 0 1 294.311 0.765 20 5 CCBDMN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000436444110 389976805 /nfs/dbraw/zinc/97/68/05/389976805.db2.gz LRJAGTKSNODRIF-SNVBAGLBSA-N 0 1 266.301 0.493 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000543175263 390278769 /nfs/dbraw/zinc/27/87/69/390278769.db2.gz LKSLABHTGGJYEU-UHFFFAOYSA-N 0 1 292.299 0.954 20 5 CCBDMN CCc1nc([C@@H](C)NC(=O)c2c[nH]nc2[N+](=O)[O-])n[nH]1 ZINC000554873976 390444642 /nfs/dbraw/zinc/44/46/42/390444642.db2.gz LCZLPEBKQWYOFU-RXMQYKEDSA-N 0 1 279.260 0.489 20 5 CCBDMN Cc1n[nH]c(C(=O)N2CC(n3ccnc3)C2)c1[N+](=O)[O-] ZINC000522258197 390630932 /nfs/dbraw/zinc/63/09/32/390630932.db2.gz GJENLHWKFCTEMM-UHFFFAOYSA-N 0 1 276.256 0.520 20 5 CCBDMN C[C@@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000566854661 390653304 /nfs/dbraw/zinc/65/33/04/390653304.db2.gz GHGNQLPZSSKQIK-ZETCQYMHSA-N 0 1 268.273 0.553 20 5 CCBDMN C[C@H](O)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570922261 390724621 /nfs/dbraw/zinc/72/46/21/390724621.db2.gz KMLUKLUYTVDZCH-VIFPVBQESA-N 0 1 288.325 0.339 20 5 CCBDMN CO[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000451749240 533473988 /nfs/dbraw/zinc/47/39/88/533473988.db2.gz LTUUIUNEDFWXRP-DGCLKSJQSA-N 0 1 282.296 0.665 20 5 CCBDMN C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCN1 ZINC000237599919 131045456 /nfs/dbraw/zinc/04/54/56/131045456.db2.gz UHKYJQQBQMASJR-JTQLQIEISA-N 0 1 278.312 0.827 20 5 CCBDMN C[C@@H]1[C@H](C)N(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000356886852 144040966 /nfs/dbraw/zinc/04/09/66/144040966.db2.gz TVCCGXGOCBJCNQ-ZJUUUORDSA-N 0 1 281.316 0.342 20 5 CCBDMN C[C@H]1[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000356907749 144043139 /nfs/dbraw/zinc/04/31/39/144043139.db2.gz UMILWWBQVKGMPK-UWVGGRQHSA-N 0 1 281.316 0.342 20 5 CCBDMN CC1=CCN(CCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000358070160 144148952 /nfs/dbraw/zinc/14/89/52/144148952.db2.gz UPWLOVDVDBCRCP-UHFFFAOYSA-N 0 1 293.327 0.710 20 5 CCBDMN CN(C(=O)c1ccnc(N)c1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000548748284 286065064 /nfs/dbraw/zinc/06/50/64/286065064.db2.gz FEAKPJSIFHLIGS-SECBINFHSA-N 0 1 293.327 0.569 20 5 CCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)NCCCc1nc[nH]n1 ZINC000552588658 286169606 /nfs/dbraw/zinc/16/96/06/286169606.db2.gz LAQVBFIJLAELJT-UHFFFAOYSA-N 0 1 293.287 0.049 20 5 CCBDMN C[C@@H](NCCNS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000020526280 171239601 /nfs/dbraw/zinc/23/96/01/171239601.db2.gz MWCAKWQEEFNRMC-SECBINFHSA-N 0 1 287.341 0.795 20 5 CCBDMN CN(CC(=O)N1CCNCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000038031637 174025940 /nfs/dbraw/zinc/02/59/40/174025940.db2.gz AFKFAGDLNSRLDJ-UHFFFAOYSA-N 0 1 296.302 0.602 20 5 CCBDMN COC(=O)[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000070698609 176001921 /nfs/dbraw/zinc/00/19/21/176001921.db2.gz XMIVHFFWLFKTFK-LURJTMIESA-N 0 1 292.251 0.762 20 5 CCBDMN CC[NH+]1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000277884429 263044318 /nfs/dbraw/zinc/04/43/18/263044318.db2.gz WIFMAEOROMFJNZ-UHFFFAOYSA-N 0 1 294.311 0.910 20 5 CCBDMN CN1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272363593 277049389 /nfs/dbraw/zinc/04/93/89/277049389.db2.gz CFSMUUHLKBBSOA-UHFFFAOYSA-N 0 1 278.312 0.955 20 5 CCBDMN C[C@@H](C[NH3+])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122201404 278250784 /nfs/dbraw/zinc/25/07/84/278250784.db2.gz VCNKDQSJIQYJSP-LURJTMIESA-N 0 1 277.277 0.359 20 5 CCBDMN O=[N+]([O-])c1ccc(CN(CCO)CCOCCO)cc1 ZINC000459799683 280363400 /nfs/dbraw/zinc/36/34/00/280363400.db2.gz VYOOVCBMTHCVME-UHFFFAOYSA-N 0 1 284.312 0.398 20 5 CCBDMN Cc1cnc(N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000583696016 329011089 /nfs/dbraw/zinc/01/10/89/329011089.db2.gz BKXQSUSFFFVSFR-SNVBAGLBSA-N 0 1 294.311 0.751 20 5 CCBDMN Cc1nc(N(C)Cc2n[nH]c(=O)o2)ncc1[N+](=O)[O-] ZINC000425280533 534439591 /nfs/dbraw/zinc/43/95/91/534439591.db2.gz KINXYDFKMXADSH-UHFFFAOYSA-N 0 1 266.217 0.418 20 5 CCBDMN CCCC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC000184261062 521090956 /nfs/dbraw/zinc/09/09/56/521090956.db2.gz GNPVTBQQMHFOEH-SSDOTTSWSA-N 0 1 284.272 0.780 20 5 CCBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ncn[nH]1 ZINC000340429803 526420525 /nfs/dbraw/zinc/42/05/25/526420525.db2.gz DYMUBUPTSMZSRO-UHFFFAOYSA-N 0 1 261.241 0.685 20 5 CCBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)c1nc[nH]n1 ZINC000340429803 526420531 /nfs/dbraw/zinc/42/05/31/526420531.db2.gz DYMUBUPTSMZSRO-UHFFFAOYSA-N 0 1 261.241 0.685 20 5 CCBDMN O=C(NC[C@@H]1CCCC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000356968639 526504450 /nfs/dbraw/zinc/50/44/50/526504450.db2.gz JLAPBLUFVNRTQF-LURJTMIESA-N 0 1 252.230 0.417 20 5 CCBDMN CCc1n[nH]c(C(=O)N[C@@H](C)c2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000343365731 536005432 /nfs/dbraw/zinc/00/54/32/536005432.db2.gz MVWURACIEMWGKL-YFKPBYRVSA-N 0 1 293.287 0.798 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1N1CCN(CCCCCO)CC1 ZINC000744387356 581840098 /nfs/dbraw/zinc/84/00/98/581840098.db2.gz QSSBNMYITROKEI-UHFFFAOYSA-N 0 1 297.359 0.613 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC)CC(=O)NC)c1[N+](=O)[O-] ZINC000763806524 582016315 /nfs/dbraw/zinc/01/63/15/582016315.db2.gz SXWSTPMTUCAUSF-UHFFFAOYSA-N 0 1 283.288 0.088 20 5 CCBDMN O=[N+]([O-])c1cc(F)c(-n2cnc(-c3nn[nH]n3)n2)c(F)c1 ZINC000826498455 607465780 /nfs/dbraw/zinc/46/57/80/607465780.db2.gz VPLPNOFSJIBWSH-UHFFFAOYSA-N 0 1 294.181 0.634 20 5 CCBDMN CS(=O)(=O)[C@@H]1CCCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839739670 617178838 /nfs/dbraw/zinc/17/88/38/617178838.db2.gz KMHOEXRASQMEKQ-OPRDCNLKSA-N 0 1 290.341 0.077 20 5 CCBDMN O=C([O-])NC[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000832533258 603707223 /nfs/dbraw/zinc/70/72/23/603707223.db2.gz JLBVSXVWTSHCBG-JTQLQIEISA-N 0 1 297.315 0.771 20 5 CCBDMN O=C([O-])NC[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000832595970 603707311 /nfs/dbraw/zinc/70/73/11/603707311.db2.gz RZNJNEIBARAKIC-VIFPVBQESA-N 0 1 283.288 0.381 20 5 CCBDMN O=C([O-])N[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000832391930 605911152 /nfs/dbraw/zinc/91/11/52/605911152.db2.gz JYYQBHGWLXWMSD-QMMMGPOBSA-N 0 1 269.261 0.133 20 5 CCBDMN Cc1nc(-n2cnc(-c3nn[nH]n3)n2)ccc1[N+](=O)[O-] ZINC000822423736 607164776 /nfs/dbraw/zinc/16/47/76/607164776.db2.gz NRPOMWRJHSWQGD-UHFFFAOYSA-N 0 1 273.216 0.059 20 5 CCBDMN CC(C)(C)OC(=O)C(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000863376742 613961179 /nfs/dbraw/zinc/96/11/79/613961179.db2.gz IJXMZPKUMLOFEI-HTQZYQBOSA-N 0 1 272.301 0.888 20 5 CCBDMN CC(C)OC(=O)CC[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839748983 613988900 /nfs/dbraw/zinc/98/89/00/613988900.db2.gz YXBBPEXYCYSQIS-OPRDCNLKSA-N 0 1 272.301 0.888 20 5 CCBDMN CC(C)O[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000928747331 614051686 /nfs/dbraw/zinc/05/16/86/614051686.db2.gz KYUOGJFPPWXYHA-FOGDFJRCSA-N 0 1 272.301 0.352 20 5 CCBDMN CC(C)CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672259 614053424 /nfs/dbraw/zinc/05/34/24/614053424.db2.gz GISUCTNSLCKZDZ-IVZWLZJFSA-N 0 1 272.301 0.746 20 5 CCBDMN CC(C)C[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839684981 614227118 /nfs/dbraw/zinc/22/71/18/614227118.db2.gz SFQQMZRCNRAHGZ-HBNTYKKESA-N 0 1 256.302 0.925 20 5 CCBDMN CC(C)N1C[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000847763876 614391724 /nfs/dbraw/zinc/39/17/24/614391724.db2.gz HGLHSVZMCWVROW-IVZWLZJFSA-N 0 1 270.285 0.452 20 5 CCBDMN CCC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OCC ZINC000840673718 614430860 /nfs/dbraw/zinc/43/08/60/614430860.db2.gz ZQSMMRNBHQBWCA-HLTSFMKQSA-N 0 1 259.258 0.927 20 5 CCBDMN CC1(C)CCC[C@@]1(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839779387 614534458 /nfs/dbraw/zinc/53/44/58/614534458.db2.gz XBBNBJWODFKTFW-KBVBSXBZSA-N 0 1 256.302 0.709 20 5 CCBDMN CCCN1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000931853823 614685806 /nfs/dbraw/zinc/68/58/06/614685806.db2.gz WSDPVWDANBDKDH-UHFFFAOYSA-N 0 1 295.343 0.654 20 5 CCBDMN CC1(C)OC[C@H](CCOC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000842324180 614832911 /nfs/dbraw/zinc/83/29/11/614832911.db2.gz CEVZNLPGTVJDML-DJLDLDEBSA-N 0 1 259.258 0.736 20 5 CCBDMN CCOC(=O)C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000842326268 615218379 /nfs/dbraw/zinc/21/83/79/615218379.db2.gz ALOJPSGLQQKKKO-BBBLOLIVSA-N 0 1 271.269 0.927 20 5 CCBDMN CCN1C[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])OC1=O ZINC000848766301 615411559 /nfs/dbraw/zinc/41/15/59/615411559.db2.gz PNMSBGXLVWPFPT-BWZBUEFSSA-N 0 1 258.230 0.036 20 5 CCBDMN CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000798895581 615817862 /nfs/dbraw/zinc/81/78/62/615817862.db2.gz DOLJATGGEHHOFZ-UHFFFAOYSA-N 0 1 267.241 0.701 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2CCCC2)C1 ZINC000954240671 615867386 /nfs/dbraw/zinc/86/73/86/615867386.db2.gz VRFATTMCUUMECW-VXGBXAGGSA-N 0 1 295.339 0.511 20 5 CCBDMN CN(C)C(=O)COc1cccc(CNCC[N+](=O)[O-])c1 ZINC000899872240 615974402 /nfs/dbraw/zinc/97/44/02/615974402.db2.gz XUZWTSFASFWYFN-UHFFFAOYSA-N 0 1 281.312 0.520 20 5 CCBDMN CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839683716 616008598 /nfs/dbraw/zinc/00/85/98/616008598.db2.gz PJDUKYWMPFNUAW-UKKRHICBSA-N 0 1 283.328 0.415 20 5 CCBDMN CN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839620634 616050009 /nfs/dbraw/zinc/05/00/09/616050009.db2.gz SLOQOICNQOADSA-HTQZYQBOSA-N 0 1 258.274 0.452 20 5 CCBDMN COC(=O)CC1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000927931630 616513123 /nfs/dbraw/zinc/51/31/23/616513123.db2.gz VMBFDLBNZKTPOI-GEPGNKONSA-N 0 1 256.258 0.110 20 5 CCBDMN COC(=O)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000840399623 616582356 /nfs/dbraw/zinc/58/23/56/616582356.db2.gz QVQAOOOCKDYPSR-NXEZZACHSA-N 0 1 270.285 0.596 20 5 CCBDMN COC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839631295 616652243 /nfs/dbraw/zinc/65/22/43/616652243.db2.gz GGTWPZRRPIEXNF-DJLDLDEBSA-N 0 1 256.258 0.063 20 5 CCBDMN COC(=O)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC000839734309 616661737 /nfs/dbraw/zinc/66/17/37/616661737.db2.gz RTWAZBUNLZHLDP-RBXMUDONSA-N 0 1 256.258 0.062 20 5 CCBDMN COC(=O)Cc1cccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000842303623 616719832 /nfs/dbraw/zinc/71/98/32/616719832.db2.gz ONSVKYFTYLLAPZ-GHMZBOCLSA-N 0 1 279.248 0.973 20 5 CCBDMN COC(=O)[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)C1 ZINC000876090969 616722740 /nfs/dbraw/zinc/72/27/40/616722740.db2.gz UIQPPESUCXCPAB-RCZSTQMZSA-N 0 1 284.312 0.840 20 5 CCBDMN COC(=O)[C@](C)(CCF)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855907972 616740839 /nfs/dbraw/zinc/74/08/39/616740839.db2.gz WGUUCZJLDLWIKV-XSSZXYGBSA-N 0 1 262.237 0.059 20 5 CCBDMN COCC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC000853168332 616777479 /nfs/dbraw/zinc/77/74/79/616777479.db2.gz VXZDMXIVODSWKJ-NXEZZACHSA-N 0 1 273.285 0.638 20 5 CCBDMN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839721157 616891698 /nfs/dbraw/zinc/89/16/98/616891698.db2.gz OJRQBFCBNFUGML-VAPHQMJDSA-N 0 1 256.302 0.827 20 5 CCBDMN COC(=O)c1ccc(OCCNCC[N+](=O)[O-])cc1 ZINC000899878740 616920656 /nfs/dbraw/zinc/92/06/56/616920656.db2.gz VFGZYEUYRWOYCD-UHFFFAOYSA-N 0 1 268.269 0.718 20 5 CCBDMN COC[C@@]1(C(=O)OC(C)(C)C)CCN(CC[N+](=O)[O-])C1 ZINC000931472021 617037198 /nfs/dbraw/zinc/03/71/98/617037198.db2.gz VWIBVQQPRVHFSF-CYBMUJFWSA-N 0 1 288.344 0.943 20 5 CCBDMN CON1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000854856666 617091173 /nfs/dbraw/zinc/09/11/73/617091173.db2.gz BUXVRYYUUONHPT-UHFFFAOYSA-N 0 1 297.315 0.761 20 5 CCBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc[nH]1 ZINC000973871919 625361815 /nfs/dbraw/zinc/36/18/15/625361815.db2.gz NNVHOEQKMRMFCS-PKIKSRDPSA-N 0 1 292.295 0.057 20 5 CCBDMN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000932342125 624488804 /nfs/dbraw/zinc/48/88/04/624488804.db2.gz WVAAZZISPKHZRE-SNVBAGLBSA-N 0 1 254.290 0.902 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(C/C=C/Cl)CC1 ZINC000981138645 631237520 /nfs/dbraw/zinc/23/75/20/631237520.db2.gz XDAYBCMDNZTFOT-OVWCGVBRSA-N 0 1 287.747 0.938 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]([C@H]2CCCO2)C1 ZINC000894699405 631815454 /nfs/dbraw/zinc/81/54/54/631815454.db2.gz DXTZIRBTZMEBIN-LNFKQOIKSA-N 0 1 254.286 0.679 20 5 CCBDMN Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)co1 ZINC000991276263 635828298 /nfs/dbraw/zinc/82/82/98/635828298.db2.gz AFIKPHDTEPBQFV-GHMZBOCLSA-N 0 1 293.279 0.194 20 5 CCBDMN O=C(NC1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991286550 635851380 /nfs/dbraw/zinc/85/13/80/635851380.db2.gz CEBYAGLWVJLCEQ-ACJPCYBHSA-N 0 1 293.323 0.025 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C(=O)C2CC=CC2)CC1 ZINC001010821978 650267718 /nfs/dbraw/zinc/26/77/18/650267718.db2.gz JKSIXNLQLRAXJQ-VXGBXAGGSA-N 0 1 293.323 0.289 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H](N2CCC2)C1 ZINC000912912921 636699570 /nfs/dbraw/zinc/69/95/70/636699570.db2.gz FFPPCUNLVFXMQS-NSHDSACASA-N 0 1 276.296 0.910 20 5 CCBDMN O=C(NCc1nn[nH]n1)c1cc(F)ccc1[N+](=O)[O-] ZINC000044929546 636867132 /nfs/dbraw/zinc/86/71/32/636867132.db2.gz NBCCZMKAXQMZPZ-UHFFFAOYSA-N 0 1 266.192 0.177 20 5 CCBDMN Cc1ccnc(NC(=O)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839625064 640347240 /nfs/dbraw/zinc/34/72/40/640347240.db2.gz MJUYQRBBVUXIJU-NXEZZACHSA-N 0 1 292.295 0.452 20 5 CCBDMN Cc1ccccc1C[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839733724 640354418 /nfs/dbraw/zinc/35/44/18/640354418.db2.gz NJJBYHXWJCSOLQ-JHJVBQTASA-N 0 1 278.308 0.680 20 5 CCBDMN O=C(N[C@H]1CN(c2ccc(F)cc2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839721201 640358109 /nfs/dbraw/zinc/35/81/09/640358109.db2.gz KKMSKWMLUCFCAW-OUAUKWLOSA-N 0 1 293.254 0.322 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000839761942 640359107 /nfs/dbraw/zinc/35/91/07/640359107.db2.gz MZDIODXCYLROEM-GWOFURMSSA-N 0 1 270.285 0.058 20 5 CCBDMN O=C(NC[C@H](CO)c1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839854573 640497449 /nfs/dbraw/zinc/49/74/49/640497449.db2.gz VEBADMKDGPXXRY-YUSALJHKSA-N 0 1 282.271 0.683 20 5 CCBDMN O=C(NCCC[C@H]1CCOC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000834472007 642570384 /nfs/dbraw/zinc/57/03/84/642570384.db2.gz LWOUBUPBAALYNQ-DJLDLDEBSA-N 0 1 256.258 0.111 20 5 CCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccccc1F ZINC000840672063 642784106 /nfs/dbraw/zinc/78/41/06/642784106.db2.gz KIXMNMXLDSBAIW-GMSGAONNSA-N 0 1 282.227 0.973 20 5 CCBDMN O=C(O[C@H]1C[C@@H]2CCCC[C@H]2NC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840674943 642786569 /nfs/dbraw/zinc/78/65/69/642786569.db2.gz TTYOJPDOWDVCLX-LXUNUROVSA-N 0 1 282.296 0.642 20 5 CCBDMN Cc1noc([C@@H](C)N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000847209082 643494509 /nfs/dbraw/zinc/49/45/09/643494509.db2.gz DLENRILGFYMYFR-LPBLVHEISA-N 0 1 254.246 0.563 20 5 CCBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(O)(CO)CC2)c1 ZINC000852499659 643973438 /nfs/dbraw/zinc/97/34/38/643973438.db2.gz VLYOHLNEELDKRN-ZDUSSCGKSA-N 0 1 296.323 0.447 20 5 CCBDMN C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000853217478 644091167 /nfs/dbraw/zinc/09/11/67/644091167.db2.gz FCMALKFAALRWEG-ZCFIWIBFSA-N 0 1 266.217 0.214 20 5 CCBDMN O=C(NCC[S@@](=O)CC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000855265722 644299472 /nfs/dbraw/zinc/29/94/72/644299472.db2.gz NUWLSZIGMFPAOK-PCPWYLJTSA-N 0 1 288.247 0.079 20 5 CCBDMN C[C@@H]1OCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1C(F)(F)F ZINC000857679688 644549112 /nfs/dbraw/zinc/54/91/12/644549112.db2.gz UJVNVLVAMZUFNN-OSMVPFSASA-N 0 1 282.218 0.830 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc(C(F)(F)F)no1 ZINC000862034142 644968531 /nfs/dbraw/zinc/96/85/31/644968531.db2.gz TTZNVPPXZVSOAU-UOWFLXDJSA-N 0 1 294.189 0.931 20 5 CCBDMN O=C(O[C@H]1CCCC2(C1)OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000870631013 646013277 /nfs/dbraw/zinc/01/32/77/646013277.db2.gz XUVUFVYUYRKQCB-IVZWLZJFSA-N 0 1 271.269 0.881 20 5 CCBDMN C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000871436499 646142897 /nfs/dbraw/zinc/14/28/97/646142897.db2.gz XWJFYZVKLKWQSS-ZXFLCMHBSA-N 0 1 282.218 0.831 20 5 CCBDMN O=C(NC[C@H]1CCC2(CCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000882550811 647418524 /nfs/dbraw/zinc/41/85/24/647418524.db2.gz DIHIBYWGFLTRAR-OPRDCNLKSA-N 0 1 254.286 0.870 20 5 CCBDMN O=C(N[C@@H]([C@H]1CCOC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000885524948 647859897 /nfs/dbraw/zinc/85/98/97/647859897.db2.gz NLZGPGBTTIZJBO-OSMVPFSASA-N 0 1 282.218 0.735 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1CC1CC1 ZINC000886473230 647982009 /nfs/dbraw/zinc/98/20/09/647982009.db2.gz SKXHPLQBYADZDA-GMTAPVOTSA-N 0 1 254.286 0.679 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1C[C@H]1CCOC1 ZINC000887818167 648158645 /nfs/dbraw/zinc/15/86/45/648158645.db2.gz ALCHSNGVNQZAHS-DDHJBXDOSA-N 0 1 284.312 0.306 20 5 CCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H](O)CN1C ZINC000924982993 648393837 /nfs/dbraw/zinc/39/38/37/648393837.db2.gz ZHJFKJKLNWHQIP-QWRGUYRKSA-N 0 1 293.323 0.698 20 5 CCBDMN O=[N+]([O-])c1cccc(CN(C[C@@H](O)CO)C2CC2)c1 ZINC000929852194 648803960 /nfs/dbraw/zinc/80/39/60/648803960.db2.gz HEZSTFQFBNDBJP-CYBMUJFWSA-N 0 1 266.297 0.912 20 5 CCBDMN O=[N+]([O-])CCN1CCN(CCc2ccncc2)CC1 ZINC000931340616 648980746 /nfs/dbraw/zinc/98/07/46/648980746.db2.gz ZRWCWFPVFHODEN-UHFFFAOYSA-N 0 1 264.329 0.518 20 5 CCBDMN CC[C@H](O)C(=O)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231259270 805764148 /nfs/dbraw/zinc/76/41/48/805764148.db2.gz IMGKCDXIRGSGIW-LURJTMIESA-N 0 1 256.214 0.680 20 5 CCBDMN O=C(NCc1n[nH]c(CO)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001167493682 791342387 /nfs/dbraw/zinc/34/23/87/791342387.db2.gz ZRVCYIAPTUCSAU-UHFFFAOYSA-N 0 1 295.230 0.274 20 5 CCBDMN O=C(NCc1nnc(CO)[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001167493682 791342395 /nfs/dbraw/zinc/34/23/95/791342395.db2.gz ZRVCYIAPTUCSAU-UHFFFAOYSA-N 0 1 295.230 0.274 20 5 CCBDMN O=C(OCCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC1[N+](=O)[O-] ZINC000840672600 800049533 /nfs/dbraw/zinc/04/95/33/800049533.db2.gz CPGOWMJYFHEYOI-LMLFDSFASA-N 0 1 270.285 0.058 20 5 CCBDMN COc1cnc(N2CCN3CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001158422495 801642322 /nfs/dbraw/zinc/64/23/22/801642322.db2.gz BOWVBGSYSYQPAN-SECBINFHSA-N 0 1 264.285 0.893 20 5 CCBDMN Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 ZINC001158434312 801649700 /nfs/dbraw/zinc/64/97/00/801649700.db2.gz VOVUSHHTFKQAPM-UHFFFAOYSA-N 0 1 251.202 0.544 20 5 CCBDMN O=[N+]([O-])c1ccc2nc(NC[C@H]3COCCN3)cnc2c1 ZINC001159042308 801746664 /nfs/dbraw/zinc/74/66/64/801746664.db2.gz FBCOPZZBAULQNK-VIFPVBQESA-N 0 1 289.295 0.938 20 5 CCBDMN Cc1nnc(CN)n1-c1ncc(F)cc1[N+](=O)[O-] ZINC001163345906 802539287 /nfs/dbraw/zinc/53/92/87/802539287.db2.gz IDHBERDNJGSDSP-UHFFFAOYSA-N 0 1 252.209 0.477 20 5 CCBDMN Nc1cc(N2CC[C@H](N)C(F)(F)C2)ncc1[N+](=O)[O-] ZINC001166959300 802994824 /nfs/dbraw/zinc/99/48/24/802994824.db2.gz VURDFQFSIBCFDR-QMMMGPOBSA-N 0 1 273.243 0.745 20 5 CCBDMN Cc1nc(N2CC[C@@H](N)C(F)(F)C2)ncc1[N+](=O)[O-] ZINC001166960070 802995363 /nfs/dbraw/zinc/99/53/63/802995363.db2.gz GTBCVUVBOLNSRP-MRVPVSSYSA-N 0 1 273.243 0.866 20 5 CCBDMN CSc1nc(O[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227624747 805373654 /nfs/dbraw/zinc/37/36/54/805373654.db2.gz DDLXHRKNZKLJGH-ZCFIWIBFSA-N 0 1 286.313 0.895 20 5 CCBDMN Cc1nc(O[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229376365 805526790 /nfs/dbraw/zinc/52/67/90/805526790.db2.gz SGXQUHUFAWJQBE-MRVPVSSYSA-N 0 1 268.273 0.872 20 5 CCBDMN Cc1nc(OC[C@H]2CN(C)CCO2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377306 805527333 /nfs/dbraw/zinc/52/73/33/805527333.db2.gz AOFLUIOBHQLZLM-MRVPVSSYSA-N 0 1 284.272 0.108 20 5 CCBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])n1nnnc1CN ZINC001254539338 808258158 /nfs/dbraw/zinc/25/81/58/808258158.db2.gz HFPNBJOHZIDEOR-MRVPVSSYSA-N 0 1 262.273 0.844 20 5 CCBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)C[C@@H]1CO ZINC001254542481 808258497 /nfs/dbraw/zinc/25/84/97/808258497.db2.gz OBEUCFWWYHRSBG-RAIGVLPGSA-N 0 1 280.324 0.953 20 5 CCBDMN CC[N@H+]1CC[C@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])C1 ZINC001226333125 813963678 /nfs/dbraw/zinc/96/36/78/813963678.db2.gz YCBXUKSQFZNGJE-ZETCQYMHSA-N 0 1 254.246 0.563 20 5 CCBDMN CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1CO ZINC000828725045 821821773 /nfs/dbraw/zinc/82/17/73/821821773.db2.gz PGSPNLOOWQHCHJ-SNVBAGLBSA-N 0 1 291.311 0.584 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(C)n(C)n2)n1 ZINC001129397288 837501890 /nfs/dbraw/zinc/50/18/90/837501890.db2.gz BKYQNKNPLBRBNN-UHFFFAOYSA-N 0 1 279.260 0.500 20 5 CCBDMN O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCC[P@@](=O)([O-])O)C1 ZINC001168976344 836075629 /nfs/dbraw/zinc/07/56/29/836075629.db2.gz CZPWPXJICVOWOL-NXEZZACHSA-N 0 1 280.261 0.979 20 5 CCBDMN CCC(=O)N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169005248 836095365 /nfs/dbraw/zinc/09/53/65/836095365.db2.gz AAWMSHAEBBSENA-NEPJUHHUSA-N 0 1 269.345 0.986 20 5 CCBDMN CN(C)C(=O)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007698 836097359 /nfs/dbraw/zinc/09/73/59/836097359.db2.gz PKBNGFDWZWUAKD-VXGBXAGGSA-N 0 1 284.360 0.731 20 5 CCBDMN O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1NC[C@H]1COCCN1 ZINC001170034246 836751012 /nfs/dbraw/zinc/75/10/12/836751012.db2.gz AHGPJBNCFYHAFQ-ZETCQYMHSA-N 0 1 288.691 0.282 20 5 CCBDMN O=[N+]([O-])c1c(Cl)ncnc1NC[C@@H]1COCCN1 ZINC001170032918 836751434 /nfs/dbraw/zinc/75/14/34/836751434.db2.gz QPVTYAQKSATDPI-ZCFIWIBFSA-N 0 1 273.680 0.439 20 5 CCBDMN O=[N+]([O-])c1cnc2cccc(NC[C@@H]3COCCN3)n21 ZINC001170045513 836784731 /nfs/dbraw/zinc/78/47/31/836784731.db2.gz BQECXZXNGKDOOM-SECBINFHSA-N 0 1 277.284 0.643 20 5 CCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCN2CC[C@@H]2C1 ZINC001158433082 838177191 /nfs/dbraw/zinc/17/71/91/838177191.db2.gz MQZPWXCBBKQVCZ-SNVBAGLBSA-N 0 1 264.285 0.431 20 5 CCBDMN N[C@@H](CCC[NH3+])Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001170903438 839553314 /nfs/dbraw/zinc/55/33/14/839553314.db2.gz JTEYLRGVXNGXOH-SNVBAGLBSA-N 0 1 268.273 0.729 20 5 CCBDMN CC(=O)N[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC001171332093 840805846 /nfs/dbraw/zinc/80/58/46/840805846.db2.gz MMXMYBMRTXDQGA-SNVBAGLBSA-N 0 1 267.289 0.002 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2ncn[nH]2)n1 ZINC001093793280 841460227 /nfs/dbraw/zinc/46/02/27/841460227.db2.gz LCKLSZUTULQMFZ-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2nc[nH]n2)n1 ZINC001093793280 841460228 /nfs/dbraw/zinc/46/02/28/841460228.db2.gz LCKLSZUTULQMFZ-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN COc1cnc(Nc2nccnc2CN)cc1[N+](=O)[O-] ZINC001171444445 841633748 /nfs/dbraw/zinc/63/37/48/841633748.db2.gz LGRXLOAUDXRSBF-UHFFFAOYSA-N 0 1 276.256 0.991 20 5 CCBDMN Cn1cc(Nc2nccnc2CN)cc([N+](=O)[O-])c1=O ZINC001171449942 841697143 /nfs/dbraw/zinc/69/71/43/841697143.db2.gz LPSRXDVZVKILMG-UHFFFAOYSA-N 0 1 276.256 0.286 20 5 CCBDMN C[C@@H]1[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCN1C ZINC001178224228 842796171 /nfs/dbraw/zinc/79/61/71/842796171.db2.gz FFAHKWXVHQCVLG-RNFRBKRXSA-N 0 1 253.262 0.140 20 5 CCBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc[nH]1 ZINC000080633673 849196005 /nfs/dbraw/zinc/19/60/05/849196005.db2.gz NJBRWNDTZZFGKB-UHFFFAOYSA-N 0 1 262.229 0.225 20 5 CCBDMN C[C@H](Nc1ccncc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001119973934 856943944 /nfs/dbraw/zinc/94/39/44/856943944.db2.gz IWQHVPQVSSRVPM-GXFFZTMASA-N 0 1 279.344 0.458 20 5 CCBDMN C[C@H](Nc1ccncc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001119973934 856943954 /nfs/dbraw/zinc/94/39/54/856943954.db2.gz IWQHVPQVSSRVPM-GXFFZTMASA-N 0 1 279.344 0.458 20 5 CCBDMN CC(C)COCCN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001481557612 892830401 /nfs/dbraw/zinc/83/04/01/892830401.db2.gz WBUQQAKAWCYFFV-VXGBXAGGSA-N 0 1 285.344 0.125 20 5 CCBDMN CCN(CCNCc1nncs1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001482925390 894702039 /nfs/dbraw/zinc/70/20/39/894702039.db2.gz UWSSYBJUJSXEEW-RKDXNWHRSA-N 0 1 299.356 0.141 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)Cc2nncn2C)c1[N+](=O)[O-] ZINC001327062152 914348461 /nfs/dbraw/zinc/34/84/61/914348461.db2.gz QSIMUDLLIMASAS-UHFFFAOYSA-N 0 1 279.260 0.027 20 5 CCBDMN CC/C(C)=C/C(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001299348277 900870666 /nfs/dbraw/zinc/87/06/66/900870666.db2.gz USVWNUGJCFQTJE-YRCSQKNFSA-N 0 1 295.339 0.677 20 5 CCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC(C)C ZINC001284611684 905399779 /nfs/dbraw/zinc/39/97/79/905399779.db2.gz CEACWLKTBKWEIT-GHMZBOCLSA-N 0 1 285.344 0.662 20 5 CCBDMN CCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001290036875 906106854 /nfs/dbraw/zinc/10/68/54/906106854.db2.gz YGYMCSLSHAXVDI-LMLFDSFASA-N 0 1 283.328 0.463 20 5 CCBDMN O=C(NCC[C@@H]1CCCC[C@@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC001304207039 908158231 /nfs/dbraw/zinc/15/82/31/908158231.db2.gz UOIYGSLWCNQUQZ-ZDCRXTMVSA-N 0 1 256.302 0.709 20 5 CCBDMN O=[N+]([O-])c1cnccc1NCc1nnc([C@@H]2CCOC2)[nH]1 ZINC001307166070 908290300 /nfs/dbraw/zinc/29/03/00/908290300.db2.gz YXSXRQGDHCPEDE-MRVPVSSYSA-N 0 1 290.283 0.646 20 5 CCBDMN O=[N+]([O-])c1cnccc1NCc1n[nH]c([C@@H]2CCOC2)n1 ZINC001307166070 908290311 /nfs/dbraw/zinc/29/03/11/908290311.db2.gz YXSXRQGDHCPEDE-MRVPVSSYSA-N 0 1 290.283 0.646 20 5 CCBDMN CC(C)n1cnnc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001320394104 910656403 /nfs/dbraw/zinc/65/64/03/910656403.db2.gz KDJJUHGWGNKJEZ-UHFFFAOYSA-N 0 1 279.260 0.420 20 5 CCBDMN Cc1nnc(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001339169796 921673687 /nfs/dbraw/zinc/67/36/87/921673687.db2.gz CQJPQFXNIUSMIP-RKDXNWHRSA-N 0 1 297.340 0.160 20 5 CCBDMN O=C(NC[C@H](O)c1ccncc1)c1n[nH]cc1[N+](=O)[O-] ZINC001332226865 917970443 /nfs/dbraw/zinc/97/04/43/917970443.db2.gz AUXBIMYQLNUVCO-VIFPVBQESA-N 0 1 277.240 0.176 20 5 CCBDMN CC(=O)N1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001340364219 922068443 /nfs/dbraw/zinc/06/84/43/922068443.db2.gz PCPHQTZADYSJBR-VXGBXAGGSA-N 0 1 281.312 0.337 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC001342028868 922769429 /nfs/dbraw/zinc/76/94/29/922769429.db2.gz ICWMYWKPSUFLKE-HTQZYQBOSA-N 0 1 268.273 0.469 20 5 CCBDMN C[N@H+]1CCN(c2ncc([N+](=O)[O-])s2)C[C@H](C(=O)[O-])C1 ZINC001346114449 924075933 /nfs/dbraw/zinc/07/59/33/924075933.db2.gz XRRNRRSXIZPYHF-SSDOTTSWSA-N 0 1 286.313 0.504 20 5 CCBDMN O=C(NCC(F)(F)F)[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC001351332780 925405209 /nfs/dbraw/zinc/40/52/09/925405209.db2.gz MLIZGZUIKIOONZ-SSDOTTSWSA-N 0 1 269.223 0.264 20 5 CCBDMN CCN(CCNC(=O)C(C)(C)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355955829 926330074 /nfs/dbraw/zinc/33/00/74/926330074.db2.gz ZXXSXDODVIIEOO-RKDXNWHRSA-N 0 1 289.307 0.364 20 5 CCBDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001603367932 972874900 /nfs/dbraw/zinc/87/49/00/972874900.db2.gz LDXINHHKVMMYEQ-RKDXNWHRSA-N 0 1 282.300 0.871 20 5 CCBDMN C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001599867225 989288183 /nfs/dbraw/zinc/28/81/83/989288183.db2.gz BZVQJRVPCBPGDN-VXNVDRBHSA-N 0 1 268.273 0.481 20 5 CCBDMN C[N@H+]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC001598577364 993299052 /nfs/dbraw/zinc/29/90/52/993299052.db2.gz ZNRIAUBNDJZZPW-WDEREUQCSA-N 0 1 294.263 0.909 20 5 CCBDMN Cc1nc2n(n1)CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C2 ZINC000359808439 282110092 /nfs/dbraw/zinc/11/00/92/282110092.db2.gz SSVZHYZJSVPVDE-UHFFFAOYSA-N 0 1 291.271 0.182 20 5 CCBDMN CN1CCO[C@@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000093641433 349548048 /nfs/dbraw/zinc/54/80/48/349548048.db2.gz RPEFCVYJDRWMSY-UONOGXRCSA-N 0 1 293.323 0.815 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCN(CCCF)CC2)c1[N+](=O)[O-] ZINC000600071912 361861272 /nfs/dbraw/zinc/86/12/72/361861272.db2.gz HBLLLVUXFMMZQT-UHFFFAOYSA-N 0 1 299.306 0.744 20 5 CCBDMN Cc1c(CC(=O)NCCc2nc[nH]n2)cccc1[N+](=O)[O-] ZINC000125880663 187203415 /nfs/dbraw/zinc/20/34/15/187203415.db2.gz GHNWMWMYCHNCOP-UHFFFAOYSA-N 0 1 289.295 0.923 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000600576868 362011568 /nfs/dbraw/zinc/01/15/68/362011568.db2.gz JDPTYGDTUIDMDG-KNVOCYPGSA-N 0 1 295.299 0.216 20 5 CCBDMN Cc1cc(CNCCn2cc([N+](=O)[O-])cn2)on1 ZINC000601111897 362150014 /nfs/dbraw/zinc/15/00/14/362150014.db2.gz ZLFLOFUEHHEAFV-UHFFFAOYSA-N 0 1 251.246 0.878 20 5 CCBDMN O=[N+]([O-])c1cc(F)cnc1NCCN1CC[C@@H](O)C1 ZINC000601203516 362176638 /nfs/dbraw/zinc/17/66/38/362176638.db2.gz SPHCMVKWWHAUBM-SECBINFHSA-N 0 1 270.264 0.607 20 5 CCBDMN Cc1nn(C)c(C(=O)N2CCNC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000602532612 362661098 /nfs/dbraw/zinc/66/10/98/362661098.db2.gz ZEANESVOJPYQDM-JTQLQIEISA-N 0 1 295.343 0.707 20 5 CCBDMN C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H](C)C1O ZINC000602706862 362762123 /nfs/dbraw/zinc/76/21/23/362762123.db2.gz GQWPXDOTGLGWQH-IUCAKERBSA-N 0 1 268.317 0.777 20 5 CCBDMN CON1CCC(N(C)Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602691703 362751692 /nfs/dbraw/zinc/75/16/92/362751692.db2.gz ZRCZAQXSWPKLDU-UHFFFAOYSA-N 0 1 283.332 0.786 20 5 CCBDMN Cn1cc(CN[C@@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])n1 ZINC000602718797 362768620 /nfs/dbraw/zinc/76/86/20/362768620.db2.gz TYPWCUGJSKNWBK-ZJUUUORDSA-N 0 1 266.301 0.721 20 5 CCBDMN Cn1cc(CN[C@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])n1 ZINC000602718796 362768731 /nfs/dbraw/zinc/76/87/31/362768731.db2.gz TYPWCUGJSKNWBK-VHSXEESVSA-N 0 1 266.301 0.721 20 5 CCBDMN CN(CC(=O)N1CCNCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000261694574 137016157 /nfs/dbraw/zinc/01/61/57/137016157.db2.gz NOURHMVLSGZHLR-UHFFFAOYSA-N 0 1 296.302 0.602 20 5 CCBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCCN(CCO)CC1 ZINC000314866264 137079336 /nfs/dbraw/zinc/07/93/36/137079336.db2.gz XKWDYYQLWKGTLD-UHFFFAOYSA-N 0 1 297.359 0.624 20 5 CCBDMN C[C@@H]1CSC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000342315163 137087935 /nfs/dbraw/zinc/08/79/35/137087935.db2.gz KVMJOYJOMJIIFH-RITPCOANSA-N 0 1 256.287 0.799 20 5 CCBDMN NC(=O)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000343176388 137119007 /nfs/dbraw/zinc/11/90/07/137119007.db2.gz MOYHRAIXQBTLRD-VIFPVBQESA-N 0 1 289.251 0.274 20 5 CCBDMN Cc1nn(C)c(C(=O)N[C@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000343487355 137138387 /nfs/dbraw/zinc/13/83/87/137138387.db2.gz HZAWQBVBUQFWCS-UWVGGRQHSA-N 0 1 295.343 0.849 20 5 CCBDMN O=C(NCCCO[C@@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC000343828578 137160413 /nfs/dbraw/zinc/16/04/13/137160413.db2.gz ONGOONSCTCJUIW-MRVPVSSYSA-N 0 1 284.272 0.243 20 5 CCBDMN O=C(NCCCO[C@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC000343828579 137160519 /nfs/dbraw/zinc/16/05/19/137160519.db2.gz ONGOONSCTCJUIW-QMMMGPOBSA-N 0 1 284.272 0.243 20 5 CCBDMN CC[C@H](O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000344390569 137192202 /nfs/dbraw/zinc/19/22/02/137192202.db2.gz NBJSQAPVOAHWPI-VIFPVBQESA-N 0 1 254.242 0.801 20 5 CCBDMN CN1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026781521 348094893 /nfs/dbraw/zinc/09/48/93/348094893.db2.gz CRDFYPGGYQCIJS-CYBMUJFWSA-N 0 1 295.339 0.582 20 5 CCBDMN CN1CCN(CCNc2ccncc2[N+](=O)[O-])CC1 ZINC000037760122 348201114 /nfs/dbraw/zinc/20/11/14/348201114.db2.gz GMMUREWQECNRKC-UHFFFAOYSA-N 0 1 265.317 0.649 20 5 CCBDMN O=C(NCCc1nnc2n1CCCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000045054543 348332709 /nfs/dbraw/zinc/33/27/09/348332709.db2.gz CMEPDRRMLNOSOG-NXEZZACHSA-N 0 1 293.327 0.328 20 5 CCBDMN COCCN1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000048427485 348409610 /nfs/dbraw/zinc/40/96/10/348409610.db2.gz YAZUZXAGYIKZJH-UHFFFAOYSA-N 0 1 296.327 0.717 20 5 CCBDMN NC(=O)c1ccc(CN2CC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000051887346 348499551 /nfs/dbraw/zinc/49/95/51/348499551.db2.gz STXASPQEBOIFQY-VIFPVBQESA-N 0 1 279.296 0.508 20 5 CCBDMN CCC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000079196916 349170978 /nfs/dbraw/zinc/17/09/78/349170978.db2.gz LPLXKSOEDOLUKJ-NXEZZACHSA-N 0 1 269.301 0.123 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000089407842 349384678 /nfs/dbraw/zinc/38/46/78/349384678.db2.gz PNONXSNINMQGDB-XPUUQOCRSA-N 0 1 268.273 0.469 20 5 CCBDMN COc1cccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000127872804 350180018 /nfs/dbraw/zinc/18/00/18/350180018.db2.gz DXLGGJVCLMAANS-UHFFFAOYSA-N 0 1 277.240 0.652 20 5 CCBDMN O=C(C[C@@H]1COCCN1)NCc1cccc([N+](=O)[O-])c1 ZINC000130468249 350237748 /nfs/dbraw/zinc/23/77/48/350237748.db2.gz NBTMDKAANGHVAH-LLVKDONJSA-N 0 1 279.296 0.590 20 5 CCBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])OCC1CC1 ZINC000130797101 350249622 /nfs/dbraw/zinc/24/96/22/350249622.db2.gz BCRDYCIPOKVCJA-UHFFFAOYSA-N 0 1 268.229 0.001 20 5 CCBDMN CN(C)C1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000134964445 350381350 /nfs/dbraw/zinc/38/13/50/350381350.db2.gz RHANSPXYCXEZOM-UHFFFAOYSA-N 0 1 263.297 0.910 20 5 CCBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000146215543 350466021 /nfs/dbraw/zinc/46/60/21/350466021.db2.gz WBBWLGHSBYJLTB-QMMMGPOBSA-N 0 1 264.285 0.889 20 5 CCBDMN Cc1nc(NCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000161511814 350723298 /nfs/dbraw/zinc/72/32/98/350723298.db2.gz NWZJGSSMTHQJKB-UHFFFAOYSA-N 0 1 279.344 0.958 20 5 CCBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NCCc1nc[nH]n1 ZINC000164867600 350784023 /nfs/dbraw/zinc/78/40/23/350784023.db2.gz MRUDIAPBUMRHCW-UHFFFAOYSA-N 0 1 291.267 0.694 20 5 CCBDMN C[C@@H](O)C[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000174849126 351107593 /nfs/dbraw/zinc/10/75/93/351107593.db2.gz CLJALXWTENJOEW-NWDGAFQWSA-N 0 1 297.359 0.178 20 5 CCBDMN Cc1nc(N(C)CC(=O)N2CCNCC2)ccc1[N+](=O)[O-] ZINC000124072993 187121020 /nfs/dbraw/zinc/12/10/20/187121020.db2.gz YPPRUGGCSHURKN-UHFFFAOYSA-N 0 1 293.327 0.166 20 5 CCBDMN CN1CCN(C)[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000225322663 352001405 /nfs/dbraw/zinc/00/14/05/352001405.db2.gz HIUCCRXDJWKPFJ-ZDUSSCGKSA-N 0 1 278.356 0.930 20 5 CCBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1COCCN1 ZINC000235761284 352187794 /nfs/dbraw/zinc/18/77/94/352187794.db2.gz ASUWNEWAIQTNBE-SNVBAGLBSA-N 0 1 279.296 0.621 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCNCC1 ZINC000237584145 352272617 /nfs/dbraw/zinc/27/26/17/352272617.db2.gz YJSAKUJUBUHSSQ-UHFFFAOYSA-N 0 1 250.258 0.344 20 5 CCBDMN CC(C)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)OCCO ZINC000292141838 198179069 /nfs/dbraw/zinc/17/90/69/198179069.db2.gz SPJIKYPKQBHGHO-UHFFFAOYSA-N 0 1 298.295 0.818 20 5 CCBDMN CCc1nc([C@H](C)NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])n[nH]1 ZINC000270816748 352989758 /nfs/dbraw/zinc/98/97/58/352989758.db2.gz YUPKUILXRTVFIK-LURJTMIESA-N 0 1 293.287 0.798 20 5 CCBDMN C[C@](O)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F ZINC000270877410 352998581 /nfs/dbraw/zinc/99/85/81/352998581.db2.gz XNCDDUCLDXRRIT-ZETCQYMHSA-N 0 1 282.178 0.361 20 5 CCBDMN Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000604547022 363202868 /nfs/dbraw/zinc/20/28/68/363202868.db2.gz VQOSGRORELTWFV-MRVPVSSYSA-N 0 1 267.289 0.450 20 5 CCBDMN CCc1[nH]nc(C(=O)N(CC)CCCO)c1[N+](=O)[O-] ZINC000278355231 353295774 /nfs/dbraw/zinc/29/57/74/353295774.db2.gz GYDRBJKPGFVWLP-UHFFFAOYSA-N 0 1 270.289 0.725 20 5 CCBDMN C[C@@H](CN(C)C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000286848294 353614473 /nfs/dbraw/zinc/61/44/73/353614473.db2.gz XFOAWYVUBPASTP-VIFPVBQESA-N 0 1 287.341 0.823 20 5 CCBDMN C[C@@H](O)CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000291081531 353766949 /nfs/dbraw/zinc/76/69/49/353766949.db2.gz VCKVYDMPZFJGCQ-SSDOTTSWSA-N 0 1 254.242 0.753 20 5 CCBDMN O=C(N[C@H](CO)C1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000291153920 353770846 /nfs/dbraw/zinc/77/08/46/353770846.db2.gz GBCYPNBXSVSSRM-MRVPVSSYSA-N 0 1 268.273 0.599 20 5 CCBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)O ZINC000293937798 353852521 /nfs/dbraw/zinc/85/25/21/353852521.db2.gz GRYJXCBHQXVRCI-SSDOTTSWSA-N 0 1 256.262 0.597 20 5 CCBDMN CN1CC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 ZINC000272538889 283074237 /nfs/dbraw/zinc/07/42/37/283074237.db2.gz BSJBPEUWDZRLDQ-SCZZXKLOSA-N 0 1 279.300 0.484 20 5 CCBDMN COC[C@@H](O)CNCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000338476315 355356893 /nfs/dbraw/zinc/35/68/93/355356893.db2.gz WEYXDNCFNNIVAL-VIFPVBQESA-N 0 1 286.284 0.406 20 5 CCBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H](C)N1C ZINC000338791439 355419923 /nfs/dbraw/zinc/41/99/23/355419923.db2.gz FLEGZBFGGJOUIK-RKDXNWHRSA-N 0 1 293.327 0.618 20 5 CCBDMN Cc1nn(C)c(N2CC[C@H](c3nc[nH]n3)C2)c1[N+](=O)[O-] ZINC000425290021 235282062 /nfs/dbraw/zinc/28/20/62/235282062.db2.gz WMMKKHXOFQBNDQ-QMMMGPOBSA-N 0 1 277.288 0.749 20 5 CCBDMN Cn1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)nn1 ZINC000361179985 138024225 /nfs/dbraw/zinc/02/42/25/138024225.db2.gz PQAXCDADYWFTSC-UHFFFAOYSA-N 0 1 263.213 0.681 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCC(F)(F)[C@@H](CO)C2)n1 ZINC000361414318 138035838 /nfs/dbraw/zinc/03/58/38/138035838.db2.gz IQDOVUTXTYMQLD-SECBINFHSA-N 0 1 290.270 0.741 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCn2ncnc2C1 ZINC000354695419 356476036 /nfs/dbraw/zinc/47/60/36/356476036.db2.gz ZERWKSFFEBESSC-UHFFFAOYSA-N 0 1 289.251 0.548 20 5 CCBDMN CC[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN1CCOC ZINC000609257487 363481500 /nfs/dbraw/zinc/48/15/00/363481500.db2.gz VAWYJXONTDTOQR-LLVKDONJSA-N 0 1 297.359 0.875 20 5 CCBDMN C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1)c1nn[nH]n1 ZINC000358418833 356776605 /nfs/dbraw/zinc/77/66/05/356776605.db2.gz XOLYYNQABGEXRC-ZCFIWIBFSA-N 0 1 279.260 0.312 20 5 CCBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCc2[nH]nnc2C1 ZINC000359742512 356883046 /nfs/dbraw/zinc/88/30/46/356883046.db2.gz KBCPWHJPWPFWTL-UHFFFAOYSA-N 0 1 273.252 0.911 20 5 CCBDMN O=C1NC(=O)[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000449518877 236035199 /nfs/dbraw/zinc/03/51/99/236035199.db2.gz BATDRFMUIYQIGX-PHIMTYICSA-N 0 1 275.264 0.299 20 5 CCBDMN O=[N+]([O-])c1cnc(NC[C@H]2CCCCN2CCO)s1 ZINC000450616328 236101959 /nfs/dbraw/zinc/10/19/59/236101959.db2.gz PJBYQGUEKBEUCI-SECBINFHSA-N 0 1 286.357 0.732 20 5 CCBDMN CC(C)[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN1C ZINC000408357202 358049745 /nfs/dbraw/zinc/04/97/45/358049745.db2.gz JFDLMIQDSDIWIG-LLVKDONJSA-N 0 1 295.343 0.741 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN(CC(N)=O)C(C)C ZINC000610782882 363613924 /nfs/dbraw/zinc/61/39/24/363613924.db2.gz NCSZCYHNPUBTAI-UHFFFAOYSA-N 0 1 269.305 0.295 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1nn[nH]n1 ZINC000587975271 359302454 /nfs/dbraw/zinc/30/24/54/359302454.db2.gz UOKRDBXXSZFKQU-UHFFFAOYSA-N 0 1 292.255 0.815 20 5 CCBDMN O=C(N[C@H](CO)CN1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000588868662 359344443 /nfs/dbraw/zinc/34/44/43/359344443.db2.gz BKSDMECHDYKIMZ-JTQLQIEISA-N 0 1 299.352 0.843 20 5 CCBDMN CCN1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000611088236 363658243 /nfs/dbraw/zinc/65/82/43/363658243.db2.gz KSWIPJZAVGJZSY-QMMMGPOBSA-N 0 1 281.316 0.793 20 5 CCBDMN CO[C@@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CCO1 ZINC000590335305 359442008 /nfs/dbraw/zinc/44/20/08/359442008.db2.gz VWYCUBDNENICOB-QMMMGPOBSA-N 0 1 298.299 0.886 20 5 CCBDMN C[N@@H+]1C[C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590446512 359469326 /nfs/dbraw/zinc/46/93/26/359469326.db2.gz UDSZXZUMYVPTGO-LDYMZIIASA-N 0 1 292.295 0.472 20 5 CCBDMN C[N@H+]1C[C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590446512 359469329 /nfs/dbraw/zinc/46/93/29/359469329.db2.gz UDSZXZUMYVPTGO-LDYMZIIASA-N 0 1 292.295 0.472 20 5 CCBDMN CCC[C@H]1CNCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000563109804 291194473 /nfs/dbraw/zinc/19/44/73/291194473.db2.gz XYGAUEHZAKLWLN-VIFPVBQESA-N 0 1 281.316 0.542 20 5 CCBDMN CNC(=O)[C@H](CC(C)C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000611216314 363685035 /nfs/dbraw/zinc/68/50/35/363685035.db2.gz IZUBCFIGUGLQOL-ZETCQYMHSA-N 0 1 283.288 0.208 20 5 CCBDMN C[NH+](C)CCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000298059482 200325694 /nfs/dbraw/zinc/32/56/94/200325694.db2.gz FCWQNVCKZHFVJO-UHFFFAOYSA-N 0 1 268.273 0.377 20 5 CCBDMN O=[N+]([O-])c1ccc(N2CC(N3CC[C@@H](O)C3)C2)cn1 ZINC000593503923 360100176 /nfs/dbraw/zinc/10/01/76/360100176.db2.gz MOAVRFDNKNSELF-LLVKDONJSA-N 0 1 264.285 0.245 20 5 CCBDMN C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C(=O)[O-])C1 ZINC000593748745 360147952 /nfs/dbraw/zinc/14/79/52/360147952.db2.gz RLEVHPRLJCGIFO-ONGXEEELSA-N 0 1 282.300 0.976 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCCF ZINC000594764116 360377822 /nfs/dbraw/zinc/37/78/22/360377822.db2.gz GYTJAQVVJZOLPX-UHFFFAOYSA-N 0 1 263.250 0.628 20 5 CCBDMN CCNC(=O)CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611555030 363737575 /nfs/dbraw/zinc/73/75/75/363737575.db2.gz IXOVYAPWCVHDGG-UHFFFAOYSA-N 0 1 281.268 0.509 20 5 CCBDMN CSc1nc(=O)n(Cc2onc(C)c2[N+](=O)[O-])[nH]1 ZINC000596024917 360776751 /nfs/dbraw/zinc/77/67/51/360776751.db2.gz SLNQPPKEYMPMBB-UHFFFAOYSA-N 0 1 271.258 0.546 20 5 CCBDMN C[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCN1CCO ZINC000596209045 360836235 /nfs/dbraw/zinc/83/62/35/360836235.db2.gz MOBZWSAHWXMXFI-VIFPVBQESA-N 0 1 282.300 0.198 20 5 CCBDMN Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000596869523 360970690 /nfs/dbraw/zinc/97/06/90/360970690.db2.gz RWWLZJRNBVGLAE-UHFFFAOYSA-N 0 1 275.268 0.880 20 5 CCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCOCCN1 ZINC000597706896 361203491 /nfs/dbraw/zinc/20/34/91/361203491.db2.gz DCMDNYHCVOHDDX-UHFFFAOYSA-N 0 1 291.267 0.448 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN2C(C)(C)C)n1 ZINC000597859275 361271150 /nfs/dbraw/zinc/27/11/50/361271150.db2.gz SPNBPBJGTFQASI-SECBINFHSA-N 0 1 295.343 0.931 20 5 CCBDMN CC[C@H](COC)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599240231 361618251 /nfs/dbraw/zinc/61/82/51/361618251.db2.gz WCQGZOJQRZJOKY-SSDOTTSWSA-N 0 1 292.317 0.032 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CCOCC2)C1 ZINC000366352680 296073493 /nfs/dbraw/zinc/07/34/93/296073493.db2.gz AAAWQNPSOWUWHY-NXEZZACHSA-N 0 1 270.285 0.060 20 5 CCBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330639106 203066376 /nfs/dbraw/zinc/06/63/76/203066376.db2.gz DEJIDRVCUWNUIN-JTQLQIEISA-N 0 1 295.343 0.289 20 5 CCBDMN COCCN1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000330744432 203180384 /nfs/dbraw/zinc/18/03/84/203180384.db2.gz UZGMAIXUKQCRRK-UHFFFAOYSA-N 0 1 297.315 0.031 20 5 CCBDMN C[C@H](CO)N(C[C@H](C)O)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000276067544 193204101 /nfs/dbraw/zinc/20/41/01/193204101.db2.gz UNAHJDKSNUYESK-BDAKNGLRSA-N 0 1 298.295 0.504 20 5 CCBDMN [NH3+]CCCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000567862792 291526964 /nfs/dbraw/zinc/52/69/64/291526964.db2.gz UOZIEDJOLHTZDY-UHFFFAOYSA-N 0 1 274.302 0.007 20 5 CCBDMN C[C@H]1CC[N@H+](C)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445002136 249027462 /nfs/dbraw/zinc/02/74/62/249027462.db2.gz YWICDATUXLWGCX-VIFPVBQESA-N 0 1 294.311 0.862 20 5 CCBDMN C[C@H]1CC[N@@H+](C)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445002136 249027465 /nfs/dbraw/zinc/02/74/65/249027465.db2.gz YWICDATUXLWGCX-VIFPVBQESA-N 0 1 294.311 0.862 20 5 CCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1nc[nH]n1 ZINC000518794797 249262259 /nfs/dbraw/zinc/26/22/59/249262259.db2.gz PFXNABOEOBPKFV-UHFFFAOYSA-N 0 1 276.256 0.389 20 5 CCBDMN [NH3+][C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000479796457 285256622 /nfs/dbraw/zinc/25/66/22/285256622.db2.gz ZFRNUOJXSRCNPM-IZLXSQMJSA-N 0 1 277.327 0.424 20 5 CCBDMN COC(=O)c1cc(C)nc(N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000283792805 388769884 /nfs/dbraw/zinc/76/98/84/388769884.db2.gz SHWPRUQQNMPFAC-UHFFFAOYSA-N 0 1 294.311 0.835 20 5 CCBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](O)(C(N)=O)C1 ZINC000284888917 388784374 /nfs/dbraw/zinc/78/43/74/388784374.db2.gz FUVAELHHZQQZBH-RNCFNFMXSA-N 0 1 279.296 0.578 20 5 CCBDMN NC(=O)c1ccnc(NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000290606804 388908545 /nfs/dbraw/zinc/90/85/45/388908545.db2.gz ZTWXURNHEBFVEQ-UHFFFAOYSA-N 0 1 293.327 0.987 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H](C)N1 ZINC000070076029 388953403 /nfs/dbraw/zinc/95/34/03/388953403.db2.gz XLRFRKLFJODRMQ-DTORHVGOSA-N 0 1 266.301 0.756 20 5 CCBDMN C[C@H](O)CN1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193515263 389071803 /nfs/dbraw/zinc/07/18/03/389071803.db2.gz HPSYWFDTWKAYAR-JTQLQIEISA-N 0 1 280.328 0.680 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CCNC2=O)c1[N+](=O)[O-] ZINC000340452908 389159871 /nfs/dbraw/zinc/15/98/71/389159871.db2.gz WDXXBUUKDXKDBM-ZETCQYMHSA-N 0 1 295.299 0.402 20 5 CCBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1COC[C@@H]1O ZINC000342348599 389211242 /nfs/dbraw/zinc/21/12/42/389211242.db2.gz NGPONRNMHNTDPS-MNOVXSKESA-N 0 1 282.252 0.132 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000264317141 389320536 /nfs/dbraw/zinc/32/05/36/389320536.db2.gz FQLGZEVPMBNJIV-UHFFFAOYSA-N 0 1 275.268 0.994 20 5 CCBDMN CN(C)C1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000158367439 389340358 /nfs/dbraw/zinc/34/03/58/389340358.db2.gz RRAFWMOLVQVJJK-UHFFFAOYSA-N 0 1 294.267 0.889 20 5 CCBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000331560907 389308245 /nfs/dbraw/zinc/30/82/45/389308245.db2.gz VAJDXGNZWFEODS-IVZWLZJFSA-N 0 1 294.311 0.859 20 5 CCBDMN CC(C)C[C@@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000160846739 389401223 /nfs/dbraw/zinc/40/12/23/389401223.db2.gz LOUHPCZDZPSWLX-ZETCQYMHSA-N 0 1 256.262 0.455 20 5 CCBDMN Cn1c(C(=O)NCCN2CC=CCC2)ccc1[N+](=O)[O-] ZINC000350072827 389483992 /nfs/dbraw/zinc/48/39/92/389483992.db2.gz GVOZORIRMGUDBQ-UHFFFAOYSA-N 0 1 278.312 0.925 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](OCc2ccncc2)C1 ZINC000371022896 389425461 /nfs/dbraw/zinc/42/54/61/389425461.db2.gz OYFKTPNYWVIDNW-YNEHKIRRSA-N 0 1 291.307 0.864 20 5 CCBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373619368 389502620 /nfs/dbraw/zinc/50/26/20/389502620.db2.gz RFMNLXVXIVUFKL-BREBYQMCSA-N 0 1 284.312 0.448 20 5 CCBDMN Cc1c([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cnn1C ZINC000179483420 389656857 /nfs/dbraw/zinc/65/68/57/389656857.db2.gz RPEUDOBOLWYZQM-ZCFIWIBFSA-N 0 1 278.272 0.851 20 5 CCBDMN O=C(N[C@H]1CCCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000408120974 389827779 /nfs/dbraw/zinc/82/77/79/389827779.db2.gz ZXAOXBGWRKOJII-ZETCQYMHSA-N 0 1 254.246 0.617 20 5 CCBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](CO)[C@@H](C)O ZINC000419823103 389920128 /nfs/dbraw/zinc/92/01/28/389920128.db2.gz XRDYIBCHFFUAAQ-BXKDBHETSA-N 0 1 284.312 0.825 20 5 CCBDMN C[C@H]1[C@H](C)N(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCN1C ZINC000445148183 389921931 /nfs/dbraw/zinc/92/19/31/389921931.db2.gz WOENDKBGXQQZLW-IUCAKERBSA-N 0 1 294.311 0.860 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)Cc2nc[nH]n2)c1[N+](=O)[O-] ZINC000439514444 390023204 /nfs/dbraw/zinc/02/32/04/390023204.db2.gz UHYQYWRCOCHATH-UHFFFAOYSA-N 0 1 279.260 0.271 20 5 CCBDMN CCc1n[nH]c(C(=O)N(C)Cc2nnc[nH]2)c1[N+](=O)[O-] ZINC000439514444 390023205 /nfs/dbraw/zinc/02/32/05/390023205.db2.gz UHYQYWRCOCHATH-UHFFFAOYSA-N 0 1 279.260 0.271 20 5 CCBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](CO)[C@H](O)C1 ZINC000459701431 390076038 /nfs/dbraw/zinc/07/60/38/390076038.db2.gz ODQBZXHGOHNZGN-GIPNMCIBSA-N 0 1 266.297 0.941 20 5 CCBDMN C[C@@H]1OCC[C@]1(C)NCc1c([N+](=O)[O-])ncn1C ZINC000494251790 390160281 /nfs/dbraw/zinc/16/02/81/390160281.db2.gz STZCLADTPAHHHO-KWQFWETISA-N 0 1 254.290 0.985 20 5 CCBDMN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccn(C)n1 ZINC000582117281 390261168 /nfs/dbraw/zinc/26/11/68/390261168.db2.gz KNYRRKNQVATTGU-GXSJLCMTSA-N 0 1 294.315 0.237 20 5 CCBDMN CCOC(=O)N(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000496158946 390311459 /nfs/dbraw/zinc/31/14/59/390311459.db2.gz HDHFTCXKVSYRAJ-GHMZBOCLSA-N 0 1 299.327 0.731 20 5 CCBDMN CNS(=O)(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000190314353 130088742 /nfs/dbraw/zinc/08/87/42/130088742.db2.gz GKHXYMLXSMVOAE-UHFFFAOYSA-N 0 1 273.314 0.234 20 5 CCBDMN CC[N@@H+](C)CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269136359 132118844 /nfs/dbraw/zinc/11/88/44/132118844.db2.gz DIPZEEZLQUCKAV-UHFFFAOYSA-N 0 1 267.285 0.982 20 5 CCBDMN O=C(NC[C@H](O)[C@@H]1CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356584142 144016346 /nfs/dbraw/zinc/01/63/46/144016346.db2.gz WBPBETPDRSYOEQ-PELKAZGASA-N 0 1 296.279 0.428 20 5 CCBDMN O=C(NC[C@H](O)C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356633760 144021369 /nfs/dbraw/zinc/02/13/69/144021369.db2.gz KJQDEBMZVJVMTD-QMMMGPOBSA-N 0 1 294.185 0.953 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2cc[nH]c(=O)c2C1 ZINC000370109921 144290973 /nfs/dbraw/zinc/29/09/73/144290973.db2.gz HCUOJKXLDSMWGI-PSASIEDQSA-N 0 1 263.253 0.337 20 5 CCBDMN C[C@@H]1C(=O)NCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330605798 287185996 /nfs/dbraw/zinc/18/59/96/287185996.db2.gz KCHZQPKPFINZCJ-MRVPVSSYSA-N 0 1 265.269 0.621 20 5 CCBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1nn[nH]n1 ZINC000044927588 411632679 /nfs/dbraw/zinc/63/26/79/411632679.db2.gz FCLPAFSUKSGORV-UHFFFAOYSA-N 0 1 278.228 0.047 20 5 CCBDMN O=C(NCc1cccc(O)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000179574004 260055289 /nfs/dbraw/zinc/05/52/89/260055289.db2.gz ZXNSZWABSORYNF-UHFFFAOYSA-N 0 1 262.225 0.954 20 5 CCBDMN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000574277730 327308108 /nfs/dbraw/zinc/30/81/08/327308108.db2.gz ZXHWVHOHYUBMND-MRVPVSSYSA-N 0 1 288.329 0.124 20 5 CCBDMN C[N@H+](CC(=O)[O-])C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582791192 329206977 /nfs/dbraw/zinc/20/69/77/329206977.db2.gz QNMYASSJRWDGGJ-JTQLQIEISA-N 0 1 284.268 0.351 20 5 CCBDMN COc1ccc(CC(=O)N2CCN[C@H](C)C2)cc1[N+](=O)[O-] ZINC000580429169 330133716 /nfs/dbraw/zinc/13/37/16/330133716.db2.gz UJGWFJIUBHLNNV-SNVBAGLBSA-N 0 1 293.323 0.966 20 5 CCBDMN CC(C)NC(=O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365855628 519706455 /nfs/dbraw/zinc/70/64/55/519706455.db2.gz IQBCIUHKUUDVRQ-UHFFFAOYSA-N 0 1 295.343 0.953 20 5 CCBDMN O=C(N[C@@H]1COc2ccc(F)cc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000365659715 526960958 /nfs/dbraw/zinc/96/09/58/526960958.db2.gz NQEZUDUPHLLLBB-HBNTYKKESA-N 0 1 280.255 0.911 20 5 CCBDMN C[NH+]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000082573024 536426199 /nfs/dbraw/zinc/42/61/99/536426199.db2.gz GSMDLOPLZNZTSI-UHFFFAOYSA-N 0 1 266.257 0.440 20 5 CCBDMN COCCONC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000748766752 581282047 /nfs/dbraw/zinc/28/20/47/581282047.db2.gz HSGITXDZBSGPTC-UHFFFAOYSA-N 0 1 280.240 0.779 20 5 CCBDMN O=C(OC[C@H]1CCNC1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000774718015 581992402 /nfs/dbraw/zinc/99/24/02/581992402.db2.gz GHTSDIBJOAUVEH-ZCFIWIBFSA-N 0 1 253.214 0.216 20 5 CCBDMN Cn1c(Cl)cnc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000764090452 582031328 /nfs/dbraw/zinc/03/13/28/582031328.db2.gz MNZQLHBFBCLDOH-UHFFFAOYSA-N 0 1 284.663 0.635 20 5 CCBDMN Cc1nn(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000819030000 597538229 /nfs/dbraw/zinc/53/82/29/597538229.db2.gz PMDILTKUQWXWCI-VIFPVBQESA-N 0 1 268.273 0.772 20 5 CCBDMN Cc1nn(C[N@H+]2CC[C@H](C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000819030000 597538231 /nfs/dbraw/zinc/53/82/31/597538231.db2.gz PMDILTKUQWXWCI-VIFPVBQESA-N 0 1 268.273 0.772 20 5 CCBDMN O=C([O-])[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000833189196 601376943 /nfs/dbraw/zinc/37/69/43/601376943.db2.gz XXOBVHXJEGTFNX-VIFPVBQESA-N 0 1 268.273 0.588 20 5 CCBDMN C[C@@H](CNC(=O)[O-])[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000824967301 603705626 /nfs/dbraw/zinc/70/56/26/603705626.db2.gz PWARXGBWPUNCNY-QMMMGPOBSA-N 0 1 271.277 0.379 20 5 CCBDMN O=C([O-])N[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000832392085 604374482 /nfs/dbraw/zinc/37/44/82/604374482.db2.gz LMIOWNCTDWFGRF-MRVPVSSYSA-N 0 1 269.261 0.133 20 5 CCBDMN C[N@H+](CC(=O)[O-])C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351334 604643683 /nfs/dbraw/zinc/64/36/83/604643683.db2.gz GLKPBDGFZLUJNS-JTQLQIEISA-N 0 1 254.242 0.645 20 5 CCBDMN CS(=O)(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841024412 617190563 /nfs/dbraw/zinc/19/05/63/617190563.db2.gz STUOSTCZRTXBPG-VXNVDRBHSA-N 0 1 284.293 0.694 20 5 CCBDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000833834072 605900651 /nfs/dbraw/zinc/90/06/51/605900651.db2.gz MFAAZVXEVGIQTL-ZJUUUORDSA-N 0 1 297.315 0.769 20 5 CCBDMN COc1ccc(OC)c([C@@H](O)CNCC[N+](=O)[O-])c1 ZINC000899872159 617275635 /nfs/dbraw/zinc/27/56/35/617275635.db2.gz YEYFVZKUDCBFTR-NSHDSACASA-N 0 1 270.285 0.604 20 5 CCBDMN CC(C)N1C[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000847763878 613889188 /nfs/dbraw/zinc/88/91/88/613889188.db2.gz HGLHSVZMCWVROW-OPRDCNLKSA-N 0 1 270.285 0.452 20 5 CCBDMN CC(C)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978794530 613944240 /nfs/dbraw/zinc/94/42/40/613944240.db2.gz MELOXRBZDXRGCI-LMLFDSFASA-N 0 1 283.328 0.319 20 5 CCBDMN CC(C)(C)OC(=O)N1CCO[C@H](CNCC[N+](=O)[O-])C1 ZINC000905277919 613977301 /nfs/dbraw/zinc/97/73/01/613977301.db2.gz BMIZLCQATNWMIY-SNVBAGLBSA-N 0 1 289.332 0.489 20 5 CCBDMN CC(C)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCOCC1 ZINC000839484734 614096491 /nfs/dbraw/zinc/09/64/91/614096491.db2.gz GRZBFJPIWPMMNV-IJLUTSLNSA-N 0 1 285.344 0.125 20 5 CCBDMN CC(C)n1cc(C(C)(C)NC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC000817511869 614354550 /nfs/dbraw/zinc/35/45/50/614354550.db2.gz YTKKBVBNIURVMM-RKDXNWHRSA-N 0 1 281.316 0.876 20 5 CCBDMN CCC(CC)(CC(=O)OC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840381257 614518993 /nfs/dbraw/zinc/51/89/93/614518993.db2.gz HYZVNIAWNGLLJW-RKDXNWHRSA-N 0 1 272.301 0.890 20 5 CCBDMN CC1(C)[C@H](N2CCOCC2)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000880489310 614852181 /nfs/dbraw/zinc/85/21/81/614852181.db2.gz SEUAHKVLMYDASP-WISYIIOYSA-N 0 1 297.355 0.267 20 5 CCBDMN CCC[C@@H](C)NC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673418 614981641 /nfs/dbraw/zinc/98/16/41/614981641.db2.gz YNKPHUYAQACQNT-UTINFBMNSA-N 0 1 272.301 0.888 20 5 CCBDMN CCS(=O)(=O)c1ccccc1CCNCC[N+](=O)[O-] ZINC000905560110 615353915 /nfs/dbraw/zinc/35/39/15/615353915.db2.gz IOWMLQFJZPZXEM-UHFFFAOYSA-N 0 1 286.353 0.889 20 5 CCBDMN CN(C)C1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823967356 615857242 /nfs/dbraw/zinc/85/72/42/615857242.db2.gz CEADZDCHYUVGRV-UHFFFAOYSA-N 0 1 279.300 0.955 20 5 CCBDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839697011 615902247 /nfs/dbraw/zinc/90/22/47/615902247.db2.gz WNEBSTKQWIAALB-UMSGYPCISA-N 0 1 297.355 0.900 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2nnc[nH]2)n1 ZINC000853225849 616015217 /nfs/dbraw/zinc/01/52/17/616015217.db2.gz SAAIDVUOGVZWIF-LURJTMIESA-N 0 1 280.244 0.847 20 5 CCBDMN CN(CCCn1ccnc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839705310 616076637 /nfs/dbraw/zinc/07/66/37/616076637.db2.gz GJBWRIDOCIKFLV-NXEZZACHSA-N 0 1 252.274 0.397 20 5 CCBDMN C[N@@H+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1CO ZINC000931401792 616245113 /nfs/dbraw/zinc/24/51/13/616245113.db2.gz XMGWFTXXRSRMFW-NSHDSACASA-N 0 1 281.312 0.409 20 5 CCBDMN C[N@H+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1CO ZINC000931401792 616245114 /nfs/dbraw/zinc/24/51/14/616245114.db2.gz XMGWFTXXRSRMFW-NSHDSACASA-N 0 1 281.312 0.409 20 5 CCBDMN C[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000928554388 616299828 /nfs/dbraw/zinc/29/98/28/616299828.db2.gz JHOKGDZHPYOOJL-SECBINFHSA-N 0 1 265.269 0.734 20 5 CCBDMN C[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000928554388 616299830 /nfs/dbraw/zinc/29/98/30/616299830.db2.gz JHOKGDZHPYOOJL-SECBINFHSA-N 0 1 265.269 0.734 20 5 CCBDMN CN1C[C@@H](O)C[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000924989824 616331021 /nfs/dbraw/zinc/33/10/21/616331021.db2.gz DRDLUATVLMSOLN-IUCAKERBSA-N 0 1 297.286 0.529 20 5 CCBDMN CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000900404245 616346283 /nfs/dbraw/zinc/34/62/83/616346283.db2.gz ZJJZRUJIUONROS-GXTWGEPZSA-N 0 1 293.323 0.666 20 5 CCBDMN COC(=O)C1(N(C(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)CCC1 ZINC000891740602 616368226 /nfs/dbraw/zinc/36/82/26/616368226.db2.gz CHWZRJLNFDGRJB-NXEZZACHSA-N 0 1 282.296 0.738 20 5 CCBDMN CN1CC[C@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)C1=O ZINC000847789858 616400662 /nfs/dbraw/zinc/40/06/62/616400662.db2.gz HSLIJAHNJYHZCJ-SSDOTTSWSA-N 0 1 267.241 0.558 20 5 CCBDMN C[N@H+]1CC[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000928559153 616429584 /nfs/dbraw/zinc/42/95/84/616429584.db2.gz INGXVUGELNCCGY-VIFPVBQESA-N 0 1 265.269 0.734 20 5 CCBDMN COC(=O)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1C ZINC000839734306 616661842 /nfs/dbraw/zinc/66/18/42/616661842.db2.gz RTWAZBUNLZHLDP-BZNPZCIMSA-N 0 1 256.258 0.062 20 5 CCBDMN COC[C@H](O)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837608584 616728608 /nfs/dbraw/zinc/72/86/08/616728608.db2.gz RLXGDVVHWUVTIC-JTQLQIEISA-N 0 1 271.225 0.351 20 5 CCBDMN COC(=O)[C@]12C[C@H]1CCCN2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000886351087 616804620 /nfs/dbraw/zinc/80/46/20/616804620.db2.gz VGZLZOQSKMCNRK-HNBLOZHYSA-N 0 1 268.269 0.206 20 5 CCBDMN CNC(=O)[C@H]1CCC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886169818 616882708 /nfs/dbraw/zinc/88/27/08/616882708.db2.gz JKJFASXULQPGJF-QWRGUYRKSA-N 0 1 278.312 0.994 20 5 CCBDMN O=[N+]([O-])CCN[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000905263375 634830375 /nfs/dbraw/zinc/83/03/75/634830375.db2.gz VADKOVWBEDLLDG-NSHDSACASA-N 0 1 299.352 0.316 20 5 CCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])OCc1ccccc1 ZINC000840670837 631668435 /nfs/dbraw/zinc/66/84/35/631668435.db2.gz KLWBDBKCKHKPMW-GHMZBOCLSA-N 0 1 279.248 0.938 20 5 CCBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1nnnn1C1CC1 ZINC000840673353 631712925 /nfs/dbraw/zinc/71/29/25/631712925.db2.gz LPLZBKRIFSBBIV-UIISKDMLSA-N 0 1 267.245 0.277 20 5 CCBDMN O=C(NCc1cc(C(F)(F)F)on1)[C@@H]1CC1[N+](=O)[O-] ZINC000908735053 635445906 /nfs/dbraw/zinc/44/59/06/635445906.db2.gz GERDBILPUHBTFH-PHDIDXHHSA-N 0 1 279.174 0.975 20 5 CCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000839624511 640347180 /nfs/dbraw/zinc/34/71/80/640347180.db2.gz FGQWEGZWIMFSQB-GWOFURMSSA-N 0 1 283.328 0.557 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC1CCCC1 ZINC000839697475 640351540 /nfs/dbraw/zinc/35/15/40/640351540.db2.gz WQMATCOYALWUHD-FXBDTBDDSA-N 0 1 270.285 0.642 20 5 CCBDMN Cn1cc(C[C@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000839695320 640351937 /nfs/dbraw/zinc/35/19/37/640351937.db2.gz FGNOOXFJJKDXRF-YUSALJHKSA-N 0 1 278.312 0.476 20 5 CCBDMN O=C(NCCOCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839695830 640352162 /nfs/dbraw/zinc/35/21/62/640352162.db2.gz DFOPKDTVFMXFLR-VXGBXAGGSA-N 0 1 264.281 0.985 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]2COCC[C@H]21 ZINC000839713450 640356167 /nfs/dbraw/zinc/35/61/67/640356167.db2.gz SYOYLTUKLIWBMP-GWOFURMSSA-N 0 1 254.286 0.679 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]2COCC[C@@H]21 ZINC000839713454 640356352 /nfs/dbraw/zinc/35/63/52/640356352.db2.gz SYOYLTUKLIWBMP-ZRUFSTJUSA-N 0 1 254.286 0.679 20 5 CCBDMN C[C@@](O)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000839715118 640356796 /nfs/dbraw/zinc/35/67/96/640356796.db2.gz SHRPHFAIDAXZFS-WYDQCIBASA-N 0 1 256.180 0.081 20 5 CCBDMN O=C(NC[C@H]1COC2(CCCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000839717456 640357097 /nfs/dbraw/zinc/35/70/97/640357097.db2.gz DWMJNZFATDCOOM-IVZWLZJFSA-N 0 1 270.285 0.454 20 5 CCBDMN Cn1ncc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc21 ZINC000839775203 640362835 /nfs/dbraw/zinc/36/28/35/640362835.db2.gz SPJITOXOLQMDLL-ZYHUDNBSSA-N 0 1 274.280 0.855 20 5 CCBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000808751687 640877304 /nfs/dbraw/zinc/87/73/04/640877304.db2.gz HHMDDKQWMCVAHA-BNOWGMLFSA-N 0 1 296.323 0.303 20 5 CCBDMN O=C(OCCn1cnccc1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000816279533 641154465 /nfs/dbraw/zinc/15/44/65/641154465.db2.gz RXYRUVUDVRSTSS-UHFFFAOYSA-N 0 1 278.224 0.337 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1CN1CCCC1=O ZINC000840338554 641254288 /nfs/dbraw/zinc/25/42/88/641254288.db2.gz RZRFRKMKTRWXNN-IJLUTSLNSA-N 0 1 295.339 0.655 20 5 CCBDMN C[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000840422603 641575336 /nfs/dbraw/zinc/57/53/36/641575336.db2.gz VNZAQFBLTNWKNX-DNRKLUKYSA-N 0 1 254.286 0.725 20 5 CCBDMN Cc1ccnc([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000823704039 641784692 /nfs/dbraw/zinc/78/46/92/641784692.db2.gz MGHBTYOJYGBAFR-IWSPIJDZSA-N 0 1 250.258 0.627 20 5 CCBDMN C[C@@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000828473617 642097868 /nfs/dbraw/zinc/09/78/68/642097868.db2.gz YRDXBHOJMUWZHK-SFYZADRCSA-N 0 1 254.246 0.401 20 5 CCBDMN C[C@@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000828473617 642097870 /nfs/dbraw/zinc/09/78/70/642097870.db2.gz YRDXBHOJMUWZHK-SFYZADRCSA-N 0 1 254.246 0.401 20 5 CCBDMN NC(=O)[C@@H](Cc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673533 642786101 /nfs/dbraw/zinc/78/61/01/642786101.db2.gz RRNACHHTAWCNMK-GMTAPVOTSA-N 0 1 278.264 0.291 20 5 CCBDMN Cc1ccc(C(N)=O)cc1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841107253 642803405 /nfs/dbraw/zinc/80/34/05/642803405.db2.gz DKGREQOQTZSTSK-RKDXNWHRSA-N 0 1 264.237 0.665 20 5 CCBDMN Cc1nccnc1CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842374886 642893579 /nfs/dbraw/zinc/89/35/79/642893579.db2.gz RQQPYMRIFZYLMM-PSASIEDQSA-N 0 1 251.242 0.536 20 5 CCBDMN O=C(Oc1ccccc1-n1cncn1)[C@@H]1CC1[N+](=O)[O-] ZINC000842378343 642894208 /nfs/dbraw/zinc/89/42/08/642894208.db2.gz ANXIPTQVXDTSKX-PSASIEDQSA-N 0 1 274.236 0.838 20 5 CCBDMN Cn1cc(Cl)c(COC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000842450643 642898039 /nfs/dbraw/zinc/89/80/39/642898039.db2.gz PCKUJXOPCTXLTA-SVGQVSJJSA-N 0 1 259.649 0.782 20 5 CCBDMN O=C(N[C@H](C1CC1)C1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000844826315 643250431 /nfs/dbraw/zinc/25/04/31/643250431.db2.gz RJQCDJRAPSGHND-IJLUTSLNSA-N 0 1 268.313 0.973 20 5 CCBDMN O=C(N[C@@H](C1CC1)C1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000844826317 643251417 /nfs/dbraw/zinc/25/14/17/643251417.db2.gz RJQCDJRAPSGHND-UTUOFQBUSA-N 0 1 268.313 0.973 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H](CO)C1CC1 ZINC000849379275 643735457 /nfs/dbraw/zinc/73/54/57/643735457.db2.gz RCTLRDFPBVOTOX-QMMMGPOBSA-N 0 1 287.297 0.039 20 5 CCBDMN C[C@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1nnc[nH]1 ZINC000853219324 644091128 /nfs/dbraw/zinc/09/11/28/644091128.db2.gz SWTIAQNHVFYWNM-LURJTMIESA-N 0 1 266.217 0.214 20 5 CCBDMN Cn1c(Cl)cnc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854675378 644248235 /nfs/dbraw/zinc/24/82/35/644248235.db2.gz DREHRSZXPJTPMK-PHDIDXHHSA-N 0 1 258.665 0.355 20 5 CCBDMN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ncnn21 ZINC000855324385 644303942 /nfs/dbraw/zinc/30/39/42/644303942.db2.gz ZWGMFOUJWDYMEY-WCTZXXKLSA-N 0 1 251.246 0.065 20 5 CCBDMN C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1CCO ZINC000855541759 644332135 /nfs/dbraw/zinc/33/21/35/644332135.db2.gz SITYQFUFKSZWFO-CHWFTXMASA-N 0 1 256.302 0.661 20 5 CCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc(C(F)(F)F)no1 ZINC000862034143 644968157 /nfs/dbraw/zinc/96/81/57/644968157.db2.gz TTZNVPPXZVSOAU-VPENINKCSA-N 0 1 294.189 0.931 20 5 CCBDMN C[C@@H]1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CO1 ZINC000888717852 646596538 /nfs/dbraw/zinc/59/65/38/646596538.db2.gz RHXPYLHLOLAROS-BXIJZRHWSA-N 0 1 254.286 0.725 20 5 CCBDMN O=[N+]([O-])c1ccn(CCN2CCc3ncncc3C2)n1 ZINC000880596022 647238783 /nfs/dbraw/zinc/23/87/83/647238783.db2.gz ZUZFMHPSAYKHDH-UHFFFAOYSA-N 0 1 274.284 0.640 20 5 CCBDMN O=C(N[C@@H](CCO)C1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000889117125 648190117 /nfs/dbraw/zinc/19/01/17/648190117.db2.gz ASLLBLKJPFQCFD-OUAUKWLOSA-N 0 1 256.302 0.709 20 5 CCBDMN C[C@@H]1[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CCN1C ZINC000928431694 648631377 /nfs/dbraw/zinc/63/13/77/648631377.db2.gz AOTAMOHXWKTQLU-SFYZADRCSA-N 0 1 267.289 0.151 20 5 CCBDMN C[C@](O)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(F)c1 ZINC000928470206 648641295 /nfs/dbraw/zinc/64/12/95/648641295.db2.gz MRABGPPTGCVLRL-WZRBSPASSA-N 0 1 282.271 0.815 20 5 CCBDMN C[C@H](O)[C@@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000929271062 648722802 /nfs/dbraw/zinc/72/28/02/648722802.db2.gz TZJMXXKLOPOFHJ-FZMZJTMJSA-N 0 1 295.339 0.459 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCNC[C@H]1CO ZINC001122208822 799169658 /nfs/dbraw/zinc/16/96/58/799169658.db2.gz QFFNKAOWRTVJJO-VIFPVBQESA-N 0 1 299.714 0.655 20 5 CCBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC001124055534 799546569 /nfs/dbraw/zinc/54/65/69/799546569.db2.gz FDUKAXKORTUROU-UHFFFAOYSA-N 0 1 289.295 0.838 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1cn[nH]c1C ZINC001141528592 800017019 /nfs/dbraw/zinc/01/70/19/800017019.db2.gz CILGZFXXCRBKDT-UHFFFAOYSA-N 0 1 278.272 0.448 20 5 CCBDMN Cc1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cccc1-n1cnnn1 ZINC000841011989 800066191 /nfs/dbraw/zinc/06/61/91/800066191.db2.gz WDKLTXFJFJGGFQ-LDYMZIIASA-N 0 1 288.267 0.574 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1CCC(c2nc[nH]n2)CC1 ZINC001163996055 802648278 /nfs/dbraw/zinc/64/82/78/802648278.db2.gz HIKGRLGNLJPIHA-UHFFFAOYSA-N 0 1 277.288 0.830 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(CO)(CO)C1 ZINC001168266572 814959054 /nfs/dbraw/zinc/95/90/54/814959054.db2.gz BFMBCELNZNQNRA-UHFFFAOYSA-N 0 1 296.279 0.117 20 5 CCBDMN O=c1nc2ccc([N+](=O)[O-])cc2c(OC[C@@H]2COCO2)[nH]1 ZINC001227095879 805323026 /nfs/dbraw/zinc/32/30/26/805323026.db2.gz MCILKYDCHAJCHM-QMMMGPOBSA-N 0 1 293.235 0.995 20 5 CCBDMN O=C1OCC[C@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228240082 805424316 /nfs/dbraw/zinc/42/43/16/805424316.db2.gz FLIXYEALCGGEJO-SECBINFHSA-N 0 1 291.219 0.938 20 5 CCBDMN C[C@@H](O)[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC001161585489 815219885 /nfs/dbraw/zinc/21/98/85/815219885.db2.gz BYQRZQRUAJOOCA-PRHODGIISA-N 0 1 296.279 0.522 20 5 CCBDMN CC(C)c1nc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001126943435 815351831 /nfs/dbraw/zinc/35/18/31/815351831.db2.gz OQEIKBXBSJXCHK-RKDXNWHRSA-N 0 1 297.315 0.064 20 5 CCBDMN O=[N+]([O-])c1ccc(CN2C[C@H](CO)[C@H](CO)C2)cc1F ZINC000705389691 819492128 /nfs/dbraw/zinc/49/21/28/819492128.db2.gz UAFCPXJRENSGAA-PHIMTYICSA-N 0 1 284.287 0.767 20 5 CCBDMN CCc1n[nH]c(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC001155894629 822274470 /nfs/dbraw/zinc/27/44/70/822274470.db2.gz WLIREMQZFHILHQ-VXNVDRBHSA-N 0 1 281.316 0.703 20 5 CCBDMN NCc1nnnn1-c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001168924088 836058696 /nfs/dbraw/zinc/05/86/96/836058696.db2.gz HIPPFCIKRZDTSP-UHFFFAOYSA-N 0 1 271.240 0.577 20 5 CCBDMN Cn1cc(CN2CC[C@@](C)(C(N)=O)C2)c([N+](=O)[O-])n1 ZINC001169699003 836425050 /nfs/dbraw/zinc/42/50/50/836425050.db2.gz WBTYWWKWSVCZIB-LLVKDONJSA-N 0 1 267.289 0.026 20 5 CCBDMN O=[N+]([O-])c1c[nH]c2ncnc(NC[C@H]3COCCN3)c12 ZINC001170034332 836751571 /nfs/dbraw/zinc/75/15/71/836751571.db2.gz BRGQHNWCPDRYBW-ZETCQYMHSA-N 0 1 278.272 0.218 20 5 CCBDMN O=[N+]([O-])c1cc(NC[C@H]2COCCN2)cn2ccnc12 ZINC001170045603 836785147 /nfs/dbraw/zinc/78/51/47/836785147.db2.gz RXDHVJITXDQBIJ-JTQLQIEISA-N 0 1 277.284 0.643 20 5 CCBDMN Cc1c(CC[NH3+])c(=O)[n-]n1-c1nccnc1[N+](=O)[O-] ZINC001170339492 837320592 /nfs/dbraw/zinc/32/05/92/837320592.db2.gz BEZNFXOHEKTLME-UHFFFAOYSA-N 0 1 264.245 0.086 20 5 CCBDMN COc1nc(N2CCN3CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001158424024 838157288 /nfs/dbraw/zinc/15/72/88/838157288.db2.gz RTRXKEXTVLOOHG-VIFPVBQESA-N 0 1 264.285 0.893 20 5 CCBDMN COC(=O)c1cnc(NCC2CN(C)C2)c([N+](=O)[O-])c1 ZINC001159218428 839030170 /nfs/dbraw/zinc/03/01/70/839030170.db2.gz NMXKFPNARZSEOH-UHFFFAOYSA-N 0 1 280.284 0.750 20 5 CCBDMN O=C(NCCNc1cccc(F)c1[N+](=O)[O-])c1cnn[nH]1 ZINC001094241797 841566423 /nfs/dbraw/zinc/56/64/23/841566423.db2.gz BYNDGUAQIAWLBJ-UHFFFAOYSA-N 0 1 294.246 0.694 20 5 CCBDMN Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)c1cnn[nH]1 ZINC001094242784 841567118 /nfs/dbraw/zinc/56/71/18/841567118.db2.gz GZBIFUGHFDEDJP-UHFFFAOYSA-N 0 1 291.271 0.258 20 5 CCBDMN NCc1nccnc1Nc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001171444850 841640654 /nfs/dbraw/zinc/64/06/54/841640654.db2.gz QDAFOGHKNYMPDZ-UHFFFAOYSA-N 0 1 286.255 0.858 20 5 CCBDMN Cc1nc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001195718841 846608165 /nfs/dbraw/zinc/60/81/65/846608165.db2.gz GFAKGVIVXAHAGM-UHFFFAOYSA-N 0 1 297.296 0.500 20 5 CCBDMN CC(C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001066849134 849666227 /nfs/dbraw/zinc/66/62/27/849666227.db2.gz CHNQWVDABLGBKH-GHMZBOCLSA-N 0 1 285.344 0.615 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2OCCC[C@H]2C1 ZINC001117998130 856132448 /nfs/dbraw/zinc/13/24/48/856132448.db2.gz SVCUUQLVNQHQCH-ZDCRXTMVSA-N 0 1 254.286 0.679 20 5 CCBDMN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CNCCO3)n2)n1C ZINC001118164252 856183061 /nfs/dbraw/zinc/18/30/61/856183061.db2.gz OORSUBSMUBXXHF-ZETCQYMHSA-N 0 1 294.271 0.348 20 5 CCBDMN O=C(CCCF)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001299218958 895984937 /nfs/dbraw/zinc/98/49/37/895984937.db2.gz FHFOZTXMIPCLMR-RKDXNWHRSA-N 0 1 287.291 0.166 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001335527642 906870827 /nfs/dbraw/zinc/87/08/27/906870827.db2.gz RCJZOPKNWBUCJA-SCZZXKLOSA-N 0 1 251.290 0.469 20 5 CCBDMN CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])c1nn[nH]n1 ZINC001301546252 907970712 /nfs/dbraw/zinc/97/07/12/907970712.db2.gz COLZPDFGZUVKRG-UHFFFAOYSA-N 0 1 280.219 0.453 20 5 CCBDMN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001305946539 908226158 /nfs/dbraw/zinc/22/61/58/908226158.db2.gz RSOGJGWLUVOOEE-JGVFFNPUSA-N 0 1 296.283 0.780 20 5 CCBDMN C[C@@H](Cn1cc([N+](=O)[O-])cn1)CN1CCOCC1 ZINC001307288804 908299856 /nfs/dbraw/zinc/29/98/56/908299856.db2.gz IDPKHLAXQWEXFA-SNVBAGLBSA-N 0 1 254.290 0.760 20 5 CCBDMN Cc1cnc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])o1 ZINC001309263595 908456112 /nfs/dbraw/zinc/45/61/12/908456112.db2.gz XBJPHGHGFWRXFE-UHFFFAOYSA-N 0 1 298.280 0.765 20 5 CCBDMN CC(C)(C)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001317943996 909548231 /nfs/dbraw/zinc/54/82/31/909548231.db2.gz HCOZUSOPUPIAJI-UHFFFAOYSA-N 0 1 280.332 0.888 20 5 CCBDMN Cc1nonc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001320772522 910858234 /nfs/dbraw/zinc/85/82/34/910858234.db2.gz YFORBUPZUPHKPN-UHFFFAOYSA-N 0 1 252.190 0.272 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1N[C@H](C)CN1CCN(C)CC1 ZINC001322439324 911802005 /nfs/dbraw/zinc/80/20/05/911802005.db2.gz ARBNAPHTRFSWQL-GFCCVEGCSA-N 0 1 293.371 0.768 20 5 CCBDMN CC1(C)CC[C@@H](O)[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001332193721 917945453 /nfs/dbraw/zinc/94/54/53/917945453.db2.gz YIEOJMCZWSRHID-ZYUZMQFOSA-N 0 1 256.302 0.707 20 5 CCBDMN O=C(NC[C@@H]1C[C@H]1C1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001332373173 918100006 /nfs/dbraw/zinc/10/00/06/918100006.db2.gz KAWGVUIXSXMVLO-NNYUYHANSA-N 0 1 268.313 0.831 20 5 CCBDMN COC[C@@H]1CNCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001343182077 923229043 /nfs/dbraw/zinc/22/90/43/923229043.db2.gz UKYBTDIOYXVIEA-JTQLQIEISA-N 0 1 297.286 0.794 20 5 CCBDMN O=C(O[C@H]1CCO[C@@]2(CCOC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001343397363 923299112 /nfs/dbraw/zinc/29/91/12/923299112.db2.gz VANYWRIBFAKJQY-XNDJQWLSSA-N 0 1 271.269 0.533 20 5 CCBDMN O=C(CCCF)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001348227662 924625469 /nfs/dbraw/zinc/62/54/69/924625469.db2.gz PEYPTOSFRFLRMF-NXEZZACHSA-N 0 1 287.291 0.072 20 5 CCBDMN O=C(Cc1cccs1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001348336365 924656806 /nfs/dbraw/zinc/65/68/06/924656806.db2.gz UMULYHNTBIUOGN-NXEZZACHSA-N 0 1 297.336 0.188 20 5 CCBDMN O=C(CCC1CC1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001348670341 924768362 /nfs/dbraw/zinc/76/83/62/924768362.db2.gz WPGWQGAZRVNABO-NXEZZACHSA-N 0 1 269.301 0.074 20 5 CCBDMN O=C(OCc1ccn(CC(F)F)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001350323582 925170288 /nfs/dbraw/zinc/17/02/88/925170288.db2.gz UQKRBVTUQCUMET-HTQZYQBOSA-N 0 1 275.211 0.857 20 5 CCBDMN NC(=O)c1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001352266646 925552745 /nfs/dbraw/zinc/55/27/45/925552745.db2.gz HCUSOLAWLYXRKK-NXEZZACHSA-N 0 1 263.253 0.067 20 5 CCBDMN O=C(N[C@H](C1CC1)C1(CO)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001300063898 925603636 /nfs/dbraw/zinc/60/36/36/925603636.db2.gz XDHMVKMSTWPMOZ-IJLUTSLNSA-N 0 1 298.339 0.336 20 5 CCBDMN Cc1ccc(C(=O)N2CCNC[C@H]2CO)cc1[N+](=O)[O-] ZINC001354592625 926135245 /nfs/dbraw/zinc/13/52/45/926135245.db2.gz ATABAJFJGMXNIP-NSHDSACASA-N 0 1 279.296 0.310 20 5 CCBDMN CC(C)(C)CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001358661647 926781863 /nfs/dbraw/zinc/78/18/63/926781863.db2.gz ZDGJPKKRSYXSFR-NXEZZACHSA-N 0 1 297.355 0.853 20 5 CCBDMN CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001360506638 926946394 /nfs/dbraw/zinc/94/63/94/926946394.db2.gz HHLZXAREBIFYSA-UTINFBMNSA-N 0 1 290.341 0.124 20 5 CCBDMN COc1cccc(C(=O)Nc2c[nH]nn2)c1[N+](=O)[O-] ZINC001447923881 930756731 /nfs/dbraw/zinc/75/67/31/930756731.db2.gz HFLWKZWUUAMHOO-UHFFFAOYSA-N 0 1 263.213 0.974 20 5 CCBDMN CC(C)(O)C(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001449565839 931159853 /nfs/dbraw/zinc/15/98/53/931159853.db2.gz HRNSTXYNOHQYKF-UHFFFAOYSA-N 0 1 270.289 0.845 20 5 CCBDMN C[C@@](CC(=O)[O-])([NH2+]CC[N+](=O)[O-])c1ccccn1 ZINC001592317511 977699237 /nfs/dbraw/zinc/69/92/37/977699237.db2.gz KVCMIIFZZPGMBI-NSHDSACASA-N 0 1 253.258 0.638 20 5 CCBDMN C[N@H+]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC001598577361 993299132 /nfs/dbraw/zinc/29/91/32/993299132.db2.gz ZNRIAUBNDJZZPW-GHMZBOCLSA-N 0 1 294.263 0.909 20 5 CCBDMN C[C@H](O)C[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593457460 995364648 /nfs/dbraw/zinc/36/46/48/995364648.db2.gz VHGLDJDGCMJRNK-VIFPVBQESA-N 0 1 298.295 0.871 20 5 CCBDMN CN1CCOC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600422128 361956864 /nfs/dbraw/zinc/95/68/64/361956864.db2.gz RMGOABXKNDMUBJ-LLVKDONJSA-N 0 1 295.295 0.361 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000427833937 529466553 /nfs/dbraw/zinc/46/65/53/529466553.db2.gz XGTNHVKYAHRHDL-JGVFFNPUSA-N 0 1 282.300 0.723 20 5 CCBDMN CN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000103204152 349693030 /nfs/dbraw/zinc/69/30/30/349693030.db2.gz RBHKMONXMNFPCY-UHFFFAOYSA-N 0 1 294.311 0.863 20 5 CCBDMN C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000193141337 530069887 /nfs/dbraw/zinc/06/98/87/530069887.db2.gz VBSYEKORQGQLEU-UHFFFAOYSA-N 0 1 265.269 0.688 20 5 CCBDMN CC[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1O ZINC000602495880 362645592 /nfs/dbraw/zinc/64/55/92/362645592.db2.gz YUAMPSNJUDIZQK-WCBMZHEXSA-N 0 1 254.290 0.531 20 5 CCBDMN CC(C)[C@@H]1CNCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000602527055 362658280 /nfs/dbraw/zinc/65/82/80/362658280.db2.gz JAAVVCCEVIAZPR-JTQLQIEISA-N 0 1 281.316 0.248 20 5 CCBDMN CC(C)[C@H]1CNCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000602527056 362658639 /nfs/dbraw/zinc/65/86/39/362658639.db2.gz JAAVVCCEVIAZPR-SNVBAGLBSA-N 0 1 281.316 0.248 20 5 CCBDMN Cn1cc(CN2CC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])n1 ZINC000602704482 362760897 /nfs/dbraw/zinc/76/08/97/362760897.db2.gz FWULRPNGMDUSLL-JTQLQIEISA-N 0 1 291.315 0.442 20 5 CCBDMN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000602848118 362836116 /nfs/dbraw/zinc/83/61/16/362836116.db2.gz ZCRLUDNAZMGYQL-MNOVXSKESA-N 0 1 297.359 0.215 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCN(CCO)C[C@H]1C ZINC000602838589 362827961 /nfs/dbraw/zinc/82/79/61/362827961.db2.gz UWTLYUPFOQIJDX-LLVKDONJSA-N 0 1 297.359 0.098 20 5 CCBDMN C[C@H]1NCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262168802 137029489 /nfs/dbraw/zinc/02/94/89/137029489.db2.gz AOFQXTMOJRSHMD-ZJUUUORDSA-N 0 1 299.352 0.966 20 5 CCBDMN NCc1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)ccn1 ZINC000344121005 137178466 /nfs/dbraw/zinc/17/84/66/137178466.db2.gz WJHINIANZANFHW-UHFFFAOYSA-N 0 1 290.283 0.075 20 5 CCBDMN O=C(NCc1csc(=O)[nH]1)c1n[nH]cc1[N+](=O)[O-] ZINC000344295862 137187443 /nfs/dbraw/zinc/18/74/43/137187443.db2.gz YRMXRNYNJRUOBM-UHFFFAOYSA-N 0 1 269.242 0.410 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)Cc2cn[nH]c2)c1[N+](=O)[O-] ZINC000618214231 365934243 /nfs/dbraw/zinc/93/42/43/365934243.db2.gz WNHZYTQPPYNBDZ-UHFFFAOYSA-N 0 1 278.272 0.876 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)Cc2cnccn2)c1[N+](=O)[O-] ZINC000344431282 137193910 /nfs/dbraw/zinc/19/39/10/137193910.db2.gz FPHGHOVQXUXNNO-UHFFFAOYSA-N 0 1 276.256 0.689 20 5 CCBDMN CC(C)C[C@H](N)c1noc(Cn2cnc([N+](=O)[O-])n2)n1 ZINC000339386700 215137184 /nfs/dbraw/zinc/13/71/84/215137184.db2.gz YCHBGXCHXTVERN-ZETCQYMHSA-N 0 1 281.276 0.664 20 5 CCBDMN CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CN2CCC1CC2 ZINC000347216520 137325623 /nfs/dbraw/zinc/32/56/23/137325623.db2.gz JQOJADRQISETIE-LLVKDONJSA-N 0 1 293.327 0.495 20 5 CCBDMN CN1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000054936651 348566133 /nfs/dbraw/zinc/56/61/33/348566133.db2.gz UUZDXPZTKOYWAQ-SNVBAGLBSA-N 0 1 292.295 0.354 20 5 CCBDMN CNC(=O)c1ccc(NCc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000067711080 348782505 /nfs/dbraw/zinc/78/25/05/348782505.db2.gz CUOUULHIKQZWHY-UHFFFAOYSA-N 0 1 276.256 0.685 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000076968251 349095449 /nfs/dbraw/zinc/09/54/49/349095449.db2.gz BNUGGVQENBGAAV-MRVPVSSYSA-N 0 1 268.273 0.877 20 5 CCBDMN CC(C)OC(=O)[C@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000121831780 350058777 /nfs/dbraw/zinc/05/87/77/350058777.db2.gz HLJSQAZMXAYYJU-SSDOTTSWSA-N 0 1 284.272 0.635 20 5 CCBDMN CC(C)[C@H](O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000124645722 350104697 /nfs/dbraw/zinc/10/46/97/350104697.db2.gz DGKDRJKHGHFCQW-MRVPVSSYSA-N 0 1 256.262 0.455 20 5 CCBDMN C[C@@H]1C[C@@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000124100128 350088979 /nfs/dbraw/zinc/08/89/79/350088979.db2.gz FYRIOUWBMOACEX-MNOVXSKESA-N 0 1 295.343 0.732 20 5 CCBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCNCC1 ZINC000255188036 352541825 /nfs/dbraw/zinc/54/18/25/352541825.db2.gz IKUBZMPHVCORQC-UHFFFAOYSA-N 0 1 250.258 0.222 20 5 CCBDMN O=C(NCCCCN1CCOCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000136226869 350418893 /nfs/dbraw/zinc/41/88/93/350418893.db2.gz CMYMHWLUFXQKDJ-UHFFFAOYSA-N 0 1 297.315 0.160 20 5 CCBDMN Nc1c(C(=O)NCCCc2nc[nH]n2)cccc1[N+](=O)[O-] ZINC000157345899 350642825 /nfs/dbraw/zinc/64/28/25/350642825.db2.gz QWQWKMWNQGUJPT-UHFFFAOYSA-N 0 1 290.283 0.658 20 5 CCBDMN COC1(CO)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000618551627 366044913 /nfs/dbraw/zinc/04/49/13/366044913.db2.gz CIDFRZIZDHGHQO-UHFFFAOYSA-N 0 1 284.316 0.265 20 5 CCBDMN Cc1c(CNC(=O)C[C@@H]2COCCN2)cccc1[N+](=O)[O-] ZINC000231857016 352137210 /nfs/dbraw/zinc/13/72/10/352137210.db2.gz KAEXUTJUHJGGDP-GFCCVEGCSA-N 0 1 293.323 0.898 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000236198682 352192456 /nfs/dbraw/zinc/19/24/56/352192456.db2.gz QDLHORZJZTZQPQ-JTQLQIEISA-N 0 1 283.259 0.452 20 5 CCBDMN CC[C@@]1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000248941358 352467519 /nfs/dbraw/zinc/46/75/19/352467519.db2.gz OBTACLPFULSXPX-OLZOCXBDSA-N 0 1 298.343 0.653 20 5 CCBDMN CNC(=O)c1ccc(N(C)Cc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000265789171 352663888 /nfs/dbraw/zinc/66/38/88/352663888.db2.gz NRQOFCNISPFAEU-UHFFFAOYSA-N 0 1 290.283 0.709 20 5 CCBDMN COC(=O)CN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CC1 ZINC000267835596 352793545 /nfs/dbraw/zinc/79/35/45/352793545.db2.gz LRYWTIJHSVAXEX-UHFFFAOYSA-N 0 1 282.256 0.404 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)CC[C@@H](C)O)c1[N+](=O)[O-] ZINC000268112014 352808972 /nfs/dbraw/zinc/80/89/72/352808972.db2.gz OVWFHDUSUKEDRV-ZCFIWIBFSA-N 0 1 256.262 0.469 20 5 CCBDMN CCOC(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270701956 352970441 /nfs/dbraw/zinc/97/04/41/352970441.db2.gz ZWUZTNBGPOMOIL-UHFFFAOYSA-N 0 1 256.218 0.001 20 5 CCBDMN O=C(N[C@@H]1CCCC[C@@H]1O)c1n[nH]cc1[N+](=O)[O-] ZINC000270842968 352994368 /nfs/dbraw/zinc/99/43/68/352994368.db2.gz IIBJZRCYXKVQTE-SVRRBLITSA-N 0 1 254.246 0.351 20 5 CCBDMN CO[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000270846606 352995039 /nfs/dbraw/zinc/99/50/39/352995039.db2.gz WOUPXXSEOHQEJZ-QMMMGPOBSA-N 0 1 256.262 0.719 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000272811045 353096744 /nfs/dbraw/zinc/09/67/44/353096744.db2.gz LBHSDOVGSAZCMT-YUMQZZPRSA-N 0 1 282.300 0.723 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC(=O)CC2)c1[N+](=O)[O-] ZINC000274929527 353173867 /nfs/dbraw/zinc/17/38/67/353173867.db2.gz CCLYXEVGEGBPDB-UHFFFAOYSA-N 0 1 266.257 0.685 20 5 CCBDMN COC(=O)[C@H](C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274873545 353168713 /nfs/dbraw/zinc/16/87/13/353168713.db2.gz MYTIESXZIYEUEB-SSDOTTSWSA-N 0 1 282.252 0.839 20 5 CCBDMN CCN(CC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000154014110 188117653 /nfs/dbraw/zinc/11/76/53/188117653.db2.gz WDWWXPFAYJSHAK-UHFFFAOYSA-N 0 1 281.316 0.392 20 5 CCBDMN C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1 ZINC000155114803 188183639 /nfs/dbraw/zinc/18/36/39/188183639.db2.gz VNNUJHLZJDHNKY-VIFPVBQESA-N 0 1 267.289 0.002 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000155371603 188202245 /nfs/dbraw/zinc/20/22/45/188202245.db2.gz GBLOJCGORXRWEJ-NXEZZACHSA-N 0 1 295.343 0.651 20 5 CCBDMN Cc1cc(C(=O)N2CC(N(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000158466105 188378108 /nfs/dbraw/zinc/37/81/08/188378108.db2.gz CZPDVPSPIXFXCQ-UHFFFAOYSA-N 0 1 278.312 0.871 20 5 CCBDMN Cc1nc([C@@H](C)Nc2ncc([N+](=O)[O-])c(N)n2)n[nH]1 ZINC000286397559 353582975 /nfs/dbraw/zinc/58/29/75/353582975.db2.gz MZJBIHXMNRQQFH-SCSAIBSYSA-N 0 1 264.249 0.567 20 5 CCBDMN O=C(NC1(CCO)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000286227819 353570709 /nfs/dbraw/zinc/57/07/09/353570709.db2.gz XRYGFLKBGRXGIX-UHFFFAOYSA-N 0 1 268.273 0.743 20 5 CCBDMN C[C@@]1(CO)CCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000305696484 354151863 /nfs/dbraw/zinc/15/18/63/354151863.db2.gz CBKYGZIIXXRCHP-KWQFWETISA-N 0 1 268.273 0.599 20 5 CCBDMN O=C(NC[C@@H]1CCNCC1(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000424191521 235174537 /nfs/dbraw/zinc/17/45/37/235174537.db2.gz NSWHUEVEQDHYAH-LURJTMIESA-N 0 1 289.242 0.293 20 5 CCBDMN NC1(c2noc(Cn3cnc([N+](=O)[O-])n3)n2)CCCCC1 ZINC000424350514 235199040 /nfs/dbraw/zinc/19/90/40/235199040.db2.gz XIWYGBIAQXDANK-UHFFFAOYSA-N 0 1 293.287 0.736 20 5 CCBDMN O=[N+]([O-])c1cnc2ccc(NCCN3CC=CCC3)nn21 ZINC000338709055 355403337 /nfs/dbraw/zinc/40/33/37/355403337.db2.gz BLBQHIRHMHMIIS-UHFFFAOYSA-N 0 1 288.311 0.733 20 5 CCBDMN Cc1nn(C)c(N(C)Cc2n[nH]c(=O)o2)c1[N+](=O)[O-] ZINC000425280509 235280231 /nfs/dbraw/zinc/28/02/31/235280231.db2.gz KFRSEAGIHDIPHQ-UHFFFAOYSA-N 0 1 268.233 0.362 20 5 CCBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1c[nH]nc1[N+](=O)[O-] ZINC000558766488 291072808 /nfs/dbraw/zinc/07/28/08/291072808.db2.gz YLXBLTHTBNSGIR-MRVPVSSYSA-N 0 1 276.256 0.848 20 5 CCBDMN NC(=O)[C@H]1CCCN1CCCNc1ncc([N+](=O)[O-])cn1 ZINC000273599269 192225874 /nfs/dbraw/zinc/22/58/74/192225874.db2.gz JBMPPPBQRGLUET-SNVBAGLBSA-N 0 1 294.315 0.137 20 5 CCBDMN C[C@H]1CCOCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000362233104 138051756 /nfs/dbraw/zinc/05/17/56/138051756.db2.gz DUXRDIYLJJZZGM-JTQLQIEISA-N 0 1 254.290 0.902 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(n2cccn2)CC1 ZINC000363024463 138084386 /nfs/dbraw/zinc/08/43/86/138084386.db2.gz MTVQSLSOQLUJTD-GHMZBOCLSA-N 0 1 264.285 0.712 20 5 CCBDMN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000354531708 356432974 /nfs/dbraw/zinc/43/29/74/356432974.db2.gz HGUICXHWMCPELO-ZCFIWIBFSA-N 0 1 276.256 0.786 20 5 CCBDMN Nc1cccc([N+](=O)[O-])c1C(=O)NCCCc1nc[nH]n1 ZINC000619581099 366289893 /nfs/dbraw/zinc/28/98/93/366289893.db2.gz QRWKLTOFENFETA-UHFFFAOYSA-N 0 1 290.283 0.658 20 5 CCBDMN O=[N+]([O-])c1ncccc1N1CCCN(CCO)CC1 ZINC000609192553 363478114 /nfs/dbraw/zinc/47/81/14/363478114.db2.gz OSKPTMSPKPIFEZ-UHFFFAOYSA-N 0 1 266.301 0.494 20 5 CCBDMN CC[N@H+](CC(=O)[O-])C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584637924 359185001 /nfs/dbraw/zinc/18/50/01/359185001.db2.gz GATISZCTHKTBIA-LLVKDONJSA-N 0 1 298.295 0.741 20 5 CCBDMN CCN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000611088111 363657875 /nfs/dbraw/zinc/65/78/75/363657875.db2.gz DAYZSLRHYPPPKJ-JTQLQIEISA-N 0 1 281.316 0.344 20 5 CCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]2COC[C@@H]21 ZINC000590971782 359543587 /nfs/dbraw/zinc/54/35/87/359543587.db2.gz LPVAPNZGEXJOTE-YPMHNXCESA-N 0 1 293.323 0.867 20 5 CCBDMN Cn1ncc([N+](=O)[O-])c1-c1nc([C@H]2CCCN2)no1 ZINC000592356808 359823645 /nfs/dbraw/zinc/82/36/45/359823645.db2.gz BCNKEDPRBDTVNE-ZCFIWIBFSA-N 0 1 264.245 0.803 20 5 CCBDMN COc1ccc(OCC[N@@H+](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000593744949 360146537 /nfs/dbraw/zinc/14/65/37/360146537.db2.gz RXASHXKSGIZRHU-UHFFFAOYSA-N 0 1 284.268 0.999 20 5 CCBDMN N[C@@H](CO)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000594652119 360351516 /nfs/dbraw/zinc/35/15/16/360351516.db2.gz OKGIWADSQJDZII-JTQLQIEISA-N 0 1 263.257 0.227 20 5 CCBDMN C[C@H]1C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CO1 ZINC000594798188 360385091 /nfs/dbraw/zinc/38/50/91/360385091.db2.gz ZWSYFMCBQMZPKA-YUMQZZPRSA-N 0 1 287.297 0.446 20 5 CCBDMN CNC(=O)[C@@]1(C)CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595471577 360543300 /nfs/dbraw/zinc/54/33/00/360543300.db2.gz BPRSDZZECWSUHX-LBPRGKRZSA-N 0 1 282.300 0.849 20 5 CCBDMN C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CCN1CCO ZINC000596209355 360836427 /nfs/dbraw/zinc/83/64/27/360836427.db2.gz NAVIDAPKBQNEFN-VIFPVBQESA-N 0 1 281.316 0.075 20 5 CCBDMN COCC1(N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000597940627 361287162 /nfs/dbraw/zinc/28/71/62/361287162.db2.gz KJVGOFDKNHEVOO-UHFFFAOYSA-N 0 1 268.273 0.877 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)Cc1cnc[nH]1 ZINC000597866551 361273249 /nfs/dbraw/zinc/27/32/49/361273249.db2.gz YBOYCLNINDBGKN-UHFFFAOYSA-N 0 1 278.272 0.481 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2[C@@H](C)O)c1[N+](=O)[O-] ZINC000598237129 361361184 /nfs/dbraw/zinc/36/11/84/361361184.db2.gz KONUNXHSIMRLRV-VXNVDRBHSA-N 0 1 282.300 0.866 20 5 CCBDMN CC(C)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599203679 361611264 /nfs/dbraw/zinc/61/12/64/361611264.db2.gz NGTQGCSANHLMAC-UHFFFAOYSA-N 0 1 276.318 0.653 20 5 CCBDMN CCC(C)(C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599206679 361612346 /nfs/dbraw/zinc/61/23/46/361612346.db2.gz LOCGHKULVWMQOQ-UHFFFAOYSA-N 0 1 276.318 0.795 20 5 CCBDMN CC[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599204156 361610986 /nfs/dbraw/zinc/61/09/86/361610986.db2.gz SXYXDBHDQXBRKX-ZCFIWIBFSA-N 0 1 262.291 0.405 20 5 CCBDMN C[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000599224314 361615597 /nfs/dbraw/zinc/61/55/97/361615597.db2.gz YEFFSMWDDDSUNO-ZETCQYMHSA-N 0 1 288.329 0.653 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2CC2)n1 ZINC000599222744 361615612 /nfs/dbraw/zinc/61/56/12/361615612.db2.gz PUOUHNSDPPTOTG-UHFFFAOYSA-N 0 1 260.275 0.017 20 5 CCBDMN CC[C@@H](COC)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599240232 361618750 /nfs/dbraw/zinc/61/87/50/361618750.db2.gz WCQGZOJQRZJOKY-ZETCQYMHSA-N 0 1 292.317 0.032 20 5 CCBDMN CC[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])OC ZINC000599309767 361646952 /nfs/dbraw/zinc/64/69/52/361646952.db2.gz KLYYURWKSJNICQ-SSDOTTSWSA-N 0 1 292.317 0.032 20 5 CCBDMN CO[C@@H](C)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599287741 361634331 /nfs/dbraw/zinc/63/43/31/361634331.db2.gz FLAHEHPXJSWXHI-BQBZGAKWSA-N 0 1 292.317 0.030 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000599290806 361635996 /nfs/dbraw/zinc/63/59/96/361635996.db2.gz CLPVDUVDWFNSOQ-QMSLJYSESA-N 0 1 286.313 0.405 20 5 CCBDMN C[C@@H]1[C@@H](C)N(c2ncc([N+](=O)[O-])cn2)CCN1C ZINC000612794053 364012984 /nfs/dbraw/zinc/01/29/84/364012984.db2.gz WYCJOICYEFCGNJ-RKDXNWHRSA-N 0 1 251.290 0.914 20 5 CCBDMN CC[C@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCOC1 ZINC000616689429 365427607 /nfs/dbraw/zinc/42/76/07/365427607.db2.gz AUFNWDDNJPVGJV-JTQLQIEISA-N 0 1 254.246 0.617 20 5 CCBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](O)(C(N)=O)C1 ZINC000276490656 193353997 /nfs/dbraw/zinc/35/39/97/193353997.db2.gz VJLLEONHDDZGPF-TVQRCGJNSA-N 0 1 279.296 0.578 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCO[C@H]3CCC[C@H]32)c1 ZINC000331628239 204025411 /nfs/dbraw/zinc/02/54/11/204025411.db2.gz SSZBIQPEKLOAFS-UPJWGTAASA-N 0 1 296.327 0.406 20 5 CCBDMN O=[N+]([O-])c1ccc(OCCN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000278885578 194197096 /nfs/dbraw/zinc/19/70/96/194197096.db2.gz UDOAUEZEOAVLMO-TXEJJXNPSA-N 0 1 268.269 0.011 20 5 CCBDMN C[C@H](O)CN(CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000289642452 388878654 /nfs/dbraw/zinc/87/86/54/388878654.db2.gz DCZNATYKXFSTDH-JTQLQIEISA-N 0 1 254.286 0.770 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)N1 ZINC000070075775 388953496 /nfs/dbraw/zinc/95/34/96/388953496.db2.gz CZLFRGCOPNSVDG-YUMQZZPRSA-N 0 1 252.274 0.745 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000355661759 389108041 /nfs/dbraw/zinc/10/80/41/389108041.db2.gz HALHKOUDWRZUQP-ZETCQYMHSA-N 0 1 293.287 0.485 20 5 CCBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1nnc[nH]1 ZINC000219138770 389137682 /nfs/dbraw/zinc/13/76/82/389137682.db2.gz MVHCDUUODLGAAU-YFKPBYRVSA-N 0 1 251.202 0.797 20 5 CCBDMN O=C(C[C@@H]1COCCN1)NCc1ccccc1[N+](=O)[O-] ZINC000130458888 389206553 /nfs/dbraw/zinc/20/65/53/389206553.db2.gz WKDSLBGYWJKMNM-LLVKDONJSA-N 0 1 279.296 0.590 20 5 CCBDMN Cc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000136409783 389267264 /nfs/dbraw/zinc/26/72/64/389267264.db2.gz XXPRRQJNGKFDPO-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000330966086 389266792 /nfs/dbraw/zinc/26/67/92/389266792.db2.gz LHNBSVDFDLSMHH-QPUJVOFHSA-N 0 1 296.279 0.522 20 5 CCBDMN NC(=O)[C@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cn1 ZINC000264586772 389337838 /nfs/dbraw/zinc/33/78/38/389337838.db2.gz KVOINMHVOFMRLX-LLVKDONJSA-N 0 1 293.327 0.742 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCO[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000268931952 389396521 /nfs/dbraw/zinc/39/65/21/389396521.db2.gz ZVNNNYXOZYPUBF-YUMQZZPRSA-N 0 1 268.273 0.876 20 5 CCBDMN NC(=O)[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000370790639 389414035 /nfs/dbraw/zinc/41/40/35/389414035.db2.gz QUFULOYJOSBRCD-UTUOFQBUSA-N 0 1 289.291 0.263 20 5 CCBDMN C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H](C)N1 ZINC000422829953 389486251 /nfs/dbraw/zinc/48/62/51/389486251.db2.gz VERRACPMPLANFA-RKDXNWHRSA-N 0 1 278.312 0.999 20 5 CCBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000269490683 389421975 /nfs/dbraw/zinc/42/19/75/389421975.db2.gz XSVMAIIDZSGLSX-ZETCQYMHSA-N 0 1 295.299 0.389 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000351866727 389703504 /nfs/dbraw/zinc/70/35/04/389703504.db2.gz XMDAJNMDDUYJSU-SVRRBLITSA-N 0 1 268.273 0.333 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000537125089 390174200 /nfs/dbraw/zinc/17/42/00/390174200.db2.gz VMRWRFPMXNAOKC-ZETCQYMHSA-N 0 1 291.271 0.456 20 5 CCBDMN NC(=O)OCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000494741232 390198380 /nfs/dbraw/zinc/19/83/80/390198380.db2.gz CXXHUSZXHGBHQD-UHFFFAOYSA-N 0 1 293.239 0.710 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN2CCC1CC2 ZINC000526067404 390676050 /nfs/dbraw/zinc/67/60/50/390676050.db2.gz LAINZHKEGUDQLO-UHFFFAOYSA-N 0 1 278.312 0.854 20 5 CCBDMN CC[C@@H]1C[N@@H+](C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572562053 390789792 /nfs/dbraw/zinc/78/97/92/390789792.db2.gz IRUXSHNQNZAECW-YPMHNXCESA-N 0 1 297.359 0.178 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000427848929 533663143 /nfs/dbraw/zinc/66/31/43/533663143.db2.gz YGWMZZFGMDTJSX-YUMQZZPRSA-N 0 1 268.273 0.469 20 5 CCBDMN C[C@@H](C(=O)N(C)C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366748666 130032490 /nfs/dbraw/zinc/03/24/90/130032490.db2.gz YBFUUQMQJQKMRU-JTQLQIEISA-N 0 1 295.343 0.905 20 5 CCBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000191852331 130318168 /nfs/dbraw/zinc/31/81/68/130318168.db2.gz AMPNPFXOXPVYAA-BDAKNGLRSA-N 0 1 296.327 0.971 20 5 CCBDMN C[C@@H](O)C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246522559 131094837 /nfs/dbraw/zinc/09/48/37/131094837.db2.gz BXAHBKYFTGILKU-ZYHUDNBSSA-N 0 1 284.312 0.647 20 5 CCBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[S@]1=O ZINC000356596245 144017277 /nfs/dbraw/zinc/01/72/77/144017277.db2.gz NDHFWBAKYZAZHP-ZPWHCFADSA-N 0 1 298.320 0.893 20 5 CCBDMN Nc1noc(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000356630745 144020868 /nfs/dbraw/zinc/02/08/68/144020868.db2.gz HJCFYALMFITCHO-UHFFFAOYSA-N 0 1 293.239 0.068 20 5 CCBDMN CN(Cc1nnnn1C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356763177 144030805 /nfs/dbraw/zinc/03/08/05/144030805.db2.gz ACWHZDQAUPYFLX-UHFFFAOYSA-N 0 1 292.255 0.096 20 5 CCBDMN C[C@H]1[C@H](C)N(Cc2c([N+](=O)[O-])ncn2C)CCN1C ZINC000356981110 144047535 /nfs/dbraw/zinc/04/75/35/144047535.db2.gz GCGSMQITYMWDNN-UWVGGRQHSA-N 0 1 267.333 0.853 20 5 CCBDMN C[C@@H]1[C@H](C)N(C)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000356981112 144047597 /nfs/dbraw/zinc/04/75/97/144047597.db2.gz GCGSMQITYMWDNN-VHSXEESVSA-N 0 1 267.333 0.853 20 5 CCBDMN NC(=O)CC1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1 ZINC000356990412 144048861 /nfs/dbraw/zinc/04/88/61/144048861.db2.gz UWPGJMRYOIOXGN-UHFFFAOYSA-N 0 1 293.279 0.828 20 5 CCBDMN O=C(NC[C@H](O)C(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357354835 144084252 /nfs/dbraw/zinc/08/42/52/144084252.db2.gz ZJOJIFWEXHYFKZ-QMMMGPOBSA-N 0 1 276.195 0.656 20 5 CCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]nnc2C1 ZINC000526053992 261361356 /nfs/dbraw/zinc/36/13/56/261361356.db2.gz SXWBONSRUJEWPZ-UHFFFAOYSA-N 0 1 276.256 0.250 20 5 CCBDMN Nc1nc(N2CC[C@H](N3CC=CC3)C2)ncc1[N+](=O)[O-] ZINC000266210442 274966172 /nfs/dbraw/zinc/96/61/72/274966172.db2.gz GCYZYHBXVRFHJY-VIFPVBQESA-N 0 1 276.300 0.418 20 5 CCBDMN COC(=O)[C@@]1(C)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000268419557 277377812 /nfs/dbraw/zinc/37/78/12/277377812.db2.gz FIHFTMBYMVLIFV-LBPRGKRZSA-N 0 1 296.283 0.652 20 5 CCBDMN C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436973207 290184083 /nfs/dbraw/zinc/18/40/83/290184083.db2.gz WZAAABSLEYAIHO-CYBMUJFWSA-N 0 1 295.295 0.097 20 5 CCBDMN O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000580892415 335980422 /nfs/dbraw/zinc/98/04/22/335980422.db2.gz JCQCLXQNFJALCT-VIFPVBQESA-N 0 1 294.311 0.957 20 5 CCBDMN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCc1c[nH]nn1 ZINC000581526826 336095265 /nfs/dbraw/zinc/09/52/65/336095265.db2.gz WFPHLPJONXGRQQ-UHFFFAOYSA-N 0 1 287.235 0.552 20 5 CCBDMN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCc1cnn[nH]1 ZINC000581526826 336095266 /nfs/dbraw/zinc/09/52/66/336095266.db2.gz WFPHLPJONXGRQQ-UHFFFAOYSA-N 0 1 287.235 0.552 20 5 CCBDMN O=C(NCc1nnc2n1CCCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000373934922 526838514 /nfs/dbraw/zinc/83/85/14/526838514.db2.gz BUCCGIHTZNQPFY-RKDXNWHRSA-N 0 1 279.300 0.286 20 5 CCBDMN O=[N+]([O-])c1cnn(CCN2CCC(n3cncn3)CC2)c1 ZINC000157868591 527414238 /nfs/dbraw/zinc/41/42/38/527414238.db2.gz XZEWQZPRIDBVIN-UHFFFAOYSA-N 0 1 291.315 0.720 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)O[C@H](CO)C2)c1[N+](=O)[O-] ZINC000349053762 536002925 /nfs/dbraw/zinc/00/29/25/536002925.db2.gz OHGDEQISFTVXLZ-SFYZADRCSA-N 0 1 298.299 0.102 20 5 CCBDMN CCN(CC(=O)NC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780368199 581226098 /nfs/dbraw/zinc/22/60/98/581226098.db2.gz KQIYPVDWEXWMKZ-UHFFFAOYSA-N 0 1 281.268 0.509 20 5 CCBDMN CC(C)c1n[nH]c(COC(=O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000795312699 581403886 /nfs/dbraw/zinc/40/38/86/581403886.db2.gz SVIJXHQYJHXFLS-UHFFFAOYSA-N 0 1 294.271 0.776 20 5 CCBDMN CC(C)c1nc(COC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000795312699 581403889 /nfs/dbraw/zinc/40/38/89/581403889.db2.gz SVIJXHQYJHXFLS-UHFFFAOYSA-N 0 1 294.271 0.776 20 5 CCBDMN Cc1nn(C[N@@H+]2CC[C@H](CNC(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000740250984 581651522 /nfs/dbraw/zinc/65/15/22/581651522.db2.gz CSWDGTSZQVEYQY-SNVBAGLBSA-N 0 1 297.315 0.955 20 5 CCBDMN Cc1nn(C[N@H+]2CC[C@H](CNC(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000740250984 581651525 /nfs/dbraw/zinc/65/15/25/581651525.db2.gz CSWDGTSZQVEYQY-SNVBAGLBSA-N 0 1 297.315 0.955 20 5 CCBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@H](O)C[C@H]2CO)cc1 ZINC000770666789 581760263 /nfs/dbraw/zinc/76/02/63/581760263.db2.gz XVTSNTJYCCJQML-XQQFMLRXSA-N 0 1 282.296 0.056 20 5 CCBDMN Cc1nc(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000762584670 581953023 /nfs/dbraw/zinc/95/30/23/581953023.db2.gz NQHLVPRTBVXUGY-UHFFFAOYSA-N 0 1 277.240 0.961 20 5 CCBDMN C[C@@H](CCS(C)(=O)=O)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000774822320 581998486 /nfs/dbraw/zinc/99/84/86/581998486.db2.gz DXGGCOMUUBWKPO-ZETCQYMHSA-N 0 1 290.297 0.903 20 5 CCBDMN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000763893604 582019771 /nfs/dbraw/zinc/01/97/71/582019771.db2.gz XGLPXTUVGWEHOJ-ZIAGYGMSSA-N 0 1 296.323 0.711 20 5 CCBDMN CON(C)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000776564963 582078161 /nfs/dbraw/zinc/07/81/61/582078161.db2.gz WCWHSMRNPGDQQH-UHFFFAOYSA-N 0 1 293.283 0.694 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC(=O)N(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000768241441 582105257 /nfs/dbraw/zinc/10/52/57/582105257.db2.gz OPPQDGNWUMPQRV-SSDOTTSWSA-N 0 1 295.299 0.183 20 5 CCBDMN O=C([O-])NC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000832527422 603707521 /nfs/dbraw/zinc/70/75/21/603707521.db2.gz JMIKVOQAPRRRRL-SNVBAGLBSA-N 0 1 297.315 0.913 20 5 CCBDMN O=C([O-])NC[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000832573414 603998887 /nfs/dbraw/zinc/99/88/87/603998887.db2.gz OBGCIEHXESAWLM-SECBINFHSA-N 0 1 283.288 0.523 20 5 CCBDMN O=C([O-])N[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000832391929 604378967 /nfs/dbraw/zinc/37/89/67/604378967.db2.gz JYYQBHGWLXWMSD-MRVPVSSYSA-N 0 1 269.261 0.133 20 5 CCBDMN O=C([O-])N[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834190102 605819088 /nfs/dbraw/zinc/81/90/88/605819088.db2.gz RKZYWDBDUVINPF-JQWIXIFHSA-N 0 1 295.295 0.970 20 5 CCBDMN O=C([O-])N[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834190102 605819089 /nfs/dbraw/zinc/81/90/89/605819089.db2.gz RKZYWDBDUVINPF-JQWIXIFHSA-N 0 1 295.295 0.970 20 5 CCBDMN COc1cccc(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000840673909 617288761 /nfs/dbraw/zinc/28/87/61/617288761.db2.gz CRSQOKLCWKOTNV-VXNVDRBHSA-N 0 1 280.236 0.481 20 5 CCBDMN COc1ccnc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839711612 617325367 /nfs/dbraw/zinc/32/53/67/617325367.db2.gz XWOCZNIPRNVIQO-NXEZZACHSA-N 0 1 251.242 0.372 20 5 CCBDMN CC(C)(C)CNC(=O)C(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840401195 613916762 /nfs/dbraw/zinc/91/67/62/613916762.db2.gz MEAMNGPOFZICDG-RKDXNWHRSA-N 0 1 285.344 0.709 20 5 CCBDMN CC(C)(C)OC(=O)C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000859721035 613957521 /nfs/dbraw/zinc/95/75/21/613957521.db2.gz YTJAWUICJGNNDW-RNFRBKRXSA-N 0 1 273.241 0.106 20 5 CCBDMN CC(C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000854338743 614235543 /nfs/dbraw/zinc/23/55/43/614235543.db2.gz AARLYCLOOGSUDF-NGJRWZKOSA-N 0 1 284.234 0.716 20 5 CCBDMN CC(C)N(C)C(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673164 614251641 /nfs/dbraw/zinc/25/16/41/614251641.db2.gz IVTXNEFKKUKTRE-DJLDLDEBSA-N 0 1 258.274 0.450 20 5 CCBDMN CCN(C(=O)C1CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000967710809 614573471 /nfs/dbraw/zinc/57/34/71/614573471.db2.gz SRYKBDTVHRCRFQ-GHMZBOCLSA-N 0 1 281.312 0.121 20 5 CCBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]2COC[C@H]2O1 ZINC000845013883 614595213 /nfs/dbraw/zinc/59/52/13/614595213.db2.gz UUXUWWPYMSJVCM-ZYUZMQFOSA-N 0 1 270.285 0.056 20 5 CCBDMN CCC1(C(=O)N2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000954240129 614619617 /nfs/dbraw/zinc/61/96/17/614619617.db2.gz WOGYLHMTZRKPHT-GHMZBOCLSA-N 0 1 295.339 0.511 20 5 CCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)CS(=O)(=O)CC ZINC000839680587 614651977 /nfs/dbraw/zinc/65/19/77/614651977.db2.gz JVCBJXHDBWRKHI-OPRDCNLKSA-N 0 1 292.357 0.323 20 5 CCBDMN CCCC(=O)N1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953927108 614734099 /nfs/dbraw/zinc/73/40/99/614734099.db2.gz QKZCSIWOCJIHNV-VXGBXAGGSA-N 0 1 297.355 0.901 20 5 CCBDMN CCN(CC)C(=O)CN1CCCN(CC[N+](=O)[O-])CC1 ZINC000929257611 614965955 /nfs/dbraw/zinc/96/59/55/614965955.db2.gz JGEWVSGNDLFMKL-UHFFFAOYSA-N 0 1 286.376 0.139 20 5 CCBDMN CC1=NO[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000854800481 615007977 /nfs/dbraw/zinc/00/79/77/615007977.db2.gz UUWLWJVKPXWJTQ-LURJTMIESA-N 0 1 253.218 0.213 20 5 CCBDMN CCOC(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000839733380 615157199 /nfs/dbraw/zinc/15/71/99/615157199.db2.gz JYEOQOPSICEJHP-NXEZZACHSA-N 0 1 284.312 0.891 20 5 CCBDMN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839598516 615461278 /nfs/dbraw/zinc/46/12/78/615461278.db2.gz OGDMSNNNMXMMHK-FNCVBFRFSA-N 0 1 257.290 0.071 20 5 CCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000882465411 615530210 /nfs/dbraw/zinc/53/02/10/615530210.db2.gz YEPCOMWJZMNZEN-GWOFURMSSA-N 0 1 256.302 0.973 20 5 CCBDMN CCc1nn(C)c(N2CC[N@H+]3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000599083435 615794118 /nfs/dbraw/zinc/79/41/18/615794118.db2.gz LZWVVVNSXKXVRZ-VIFPVBQESA-N 0 1 265.317 0.785 20 5 CCBDMN CC[C@H](O)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000912113370 615836754 /nfs/dbraw/zinc/83/67/54/615836754.db2.gz LSPMGYNCGJGITR-YTWAJWBKSA-N 0 1 256.302 0.804 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CCCN(C=O)CC2)c1[N+](=O)[O-] ZINC000847371940 616030755 /nfs/dbraw/zinc/03/07/55/616030755.db2.gz WOPUEELCZBNPFL-UHFFFAOYSA-N 0 1 295.299 0.185 20 5 CCBDMN CN(C)c1nc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC000839695824 616033896 /nfs/dbraw/zinc/03/38/96/616033896.db2.gz DDLPJIICOGKREE-HTQZYQBOSA-N 0 1 270.314 0.491 20 5 CCBDMN CN(CC(=O)NCc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839687290 616047975 /nfs/dbraw/zinc/04/79/75/616047975.db2.gz AJDOWAQZXXJQSD-VXGBXAGGSA-N 0 1 291.307 0.426 20 5 CCBDMN CN1C[C@@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1=O ZINC000842455470 616290330 /nfs/dbraw/zinc/29/03/30/616290330.db2.gz DZJJBBTVTXFHRX-QMMMGPOBSA-N 0 1 281.268 0.948 20 5 CCBDMN CN1CC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000895769696 616433522 /nfs/dbraw/zinc/43/35/22/616433522.db2.gz GMWCYOGJZBYOLN-QMMMGPOBSA-N 0 1 262.273 0.754 20 5 CCBDMN CNC(=O)CC[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839762960 616587807 /nfs/dbraw/zinc/58/78/07/616587807.db2.gz WKXCRYMUNMNRIB-HBNTYKKESA-N 0 1 283.328 0.559 20 5 CCBDMN COC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840282336 616705165 /nfs/dbraw/zinc/70/51/65/616705165.db2.gz IRIIROAPEQINIZ-OPRDCNLKSA-N 0 1 270.285 0.596 20 5 CCBDMN COCC(C)(C)N1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000819894486 616722831 /nfs/dbraw/zinc/72/28/31/616722831.db2.gz UZJRYIMRKHFBNE-UHFFFAOYSA-N 0 1 297.359 0.791 20 5 CCBDMN COC[C@H]1CCCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839728270 616764352 /nfs/dbraw/zinc/76/43/52/616764352.db2.gz LMYQQHBDYASWMW-HBNTYKKESA-N 0 1 256.302 0.927 20 5 CCBDMN COc1c(O)ccc(CN2CC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000857707345 617148854 /nfs/dbraw/zinc/14/88/54/617148854.db2.gz KSALJQXUVOTQOG-VIFPVBQESA-N 0 1 295.295 0.616 20 5 CCBDMN CO[C@@H](C)CS(=O)(=O)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000800838132 617159596 /nfs/dbraw/zinc/15/95/96/617159596.db2.gz SZZUQAXRVCCXDD-ZETCQYMHSA-N 0 1 290.301 0.271 20 5 CCBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H]1CO ZINC000934015565 625003871 /nfs/dbraw/zinc/00/38/71/625003871.db2.gz DBUZWTHOVNAUME-WDEREUQCSA-N 0 1 282.296 0.401 20 5 CCBDMN O=C(NCCNCC[N+](=O)[O-])c1ccccc1Cl ZINC000905033687 634778383 /nfs/dbraw/zinc/77/83/83/634778383.db2.gz FERNXKIAMXBVBT-UHFFFAOYSA-N 0 1 271.704 0.936 20 5 CCBDMN O=[N+]([O-])CCNCCCS(=O)(=O)c1ccccc1 ZINC000905065499 634794810 /nfs/dbraw/zinc/79/48/10/634794810.db2.gz OYRCFKRYJYFNFU-UHFFFAOYSA-N 0 1 272.326 0.717 20 5 CCBDMN O=[N+]([O-])CCNC[C@H](O)COc1ccc(F)c(F)c1 ZINC000905351862 634846268 /nfs/dbraw/zinc/84/62/68/634846268.db2.gz VQTCYBPBFIGKFW-QMMMGPOBSA-N 0 1 276.239 0.571 20 5 CCBDMN O=C(OCCOCC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000840670188 631640501 /nfs/dbraw/zinc/64/05/01/631640501.db2.gz CTMAWOKOQJBXEE-PHDIDXHHSA-N 0 1 257.164 0.774 20 5 CCBDMN O=C(NC[C@H]1CC2(CCC2)CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000894403877 631755406 /nfs/dbraw/zinc/75/54/06/631755406.db2.gz RNDCNTXITBTFDG-OPRDCNLKSA-N 0 1 254.286 0.727 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000894699404 631815052 /nfs/dbraw/zinc/81/50/52/631815052.db2.gz DXTZIRBTZMEBIN-GWOFURMSSA-N 0 1 254.286 0.679 20 5 CCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccccc1 ZINC000990098143 633446671 /nfs/dbraw/zinc/44/66/71/633446671.db2.gz XPUAXRSYGQESPZ-VXGBXAGGSA-N 0 1 289.291 0.292 20 5 CCBDMN Cn1c(C(=O)N2CC(N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000898614646 633635002 /nfs/dbraw/zinc/63/50/02/633635002.db2.gz PXWWFVDIGPWVIW-UHFFFAOYSA-N 0 1 278.312 0.854 20 5 CCBDMN O=[N+]([O-])CCNC[C@H](O)COc1ccc(F)cc1 ZINC000899872379 633913150 /nfs/dbraw/zinc/91/31/50/633913150.db2.gz ACBAUUNHZSYIJA-JTQLQIEISA-N 0 1 258.249 0.432 20 5 CCBDMN CC(C)=C(F)C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991279327 635833272 /nfs/dbraw/zinc/83/32/72/635833272.db2.gz KMZVXVZGVNSOMF-RKDXNWHRSA-N 0 1 285.275 0.242 20 5 CCBDMN CCC1(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCC1 ZINC000991288642 635853292 /nfs/dbraw/zinc/85/32/92/635853292.db2.gz SEJROMMLVYEXIB-GHMZBOCLSA-N 0 1 295.339 0.559 20 5 CCBDMN O=C(C=C1CCC1)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001795531 639338622 /nfs/dbraw/zinc/33/86/22/639338622.db2.gz GZRNSRRYVQVYKO-VXGBXAGGSA-N 0 1 293.323 0.337 20 5 CCBDMN O=C(CC1CCC1)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001795286 639339004 /nfs/dbraw/zinc/33/90/04/639339004.db2.gz FLASOTNHCBIUHS-VXGBXAGGSA-N 0 1 295.339 0.416 20 5 CCBDMN O=C(NCC1CN(C(=O)C2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001807668 639341036 /nfs/dbraw/zinc/34/10/36/639341036.db2.gz QMKTUGPDTQYZRC-GHMZBOCLSA-N 0 1 281.312 0.026 20 5 CCBDMN O=C(NC[C@@H](CO)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839702221 640351125 /nfs/dbraw/zinc/35/11/25/640351125.db2.gz VQFMSMWHQGVXAO-QJPTWQEYSA-N 0 1 264.281 0.544 20 5 CCBDMN NC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000839724471 640357959 /nfs/dbraw/zinc/35/79/59/640357959.db2.gz INKJDUUGXBPYFH-BBBLOLIVSA-N 0 1 281.243 0.134 20 5 CCBDMN O=C(NN1Cc2ccccc2C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839722253 640358419 /nfs/dbraw/zinc/35/84/19/640358419.db2.gz WLFWASKXILLJCF-NXEZZACHSA-N 0 1 261.237 0.339 20 5 CCBDMN O=C(N[C@H](CO)c1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839724333 640358601 /nfs/dbraw/zinc/35/86/01/640358601.db2.gz MZUBUHVOTKMDEN-GMTAPVOTSA-N 0 1 268.244 0.641 20 5 CCBDMN Cc1ccc(CN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000839747562 640361308 /nfs/dbraw/zinc/36/13/08/640361308.db2.gz KAICGERUCYKAIE-GHMZBOCLSA-N 0 1 268.269 0.574 20 5 CCBDMN O=C(Nc1c[nH]nn1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000807922692 640843066 /nfs/dbraw/zinc/84/30/66/640843066.db2.gz IYQOREWVHZJZIM-UHFFFAOYSA-N 0 1 291.252 0.970 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000840305601 641050892 /nfs/dbraw/zinc/05/08/92/641050892.db2.gz NJIZACXHLGGANP-OPRDCNLKSA-N 0 1 299.352 0.176 20 5 CCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(F)n2)c1 ZINC000819184018 641387138 /nfs/dbraw/zinc/38/71/38/641387138.db2.gz VYCUUXWXJYXKKK-LLVKDONJSA-N 0 1 295.274 0.476 20 5 CCBDMN Cn1cc(C(F)F)c(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000826748428 641955360 /nfs/dbraw/zinc/95/53/60/641955360.db2.gz KBVAFWZMJBVUHI-SVGQVSJJSA-N 0 1 274.227 0.639 20 5 CCBDMN C[C@H]1[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1C(=O)[O-] ZINC000833830651 642543305 /nfs/dbraw/zinc/54/33/05/642543305.db2.gz WETKQEYRZVOXDX-UWVGGRQHSA-N 0 1 297.315 0.864 20 5 CCBDMN C[C@H]1[C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1C(=O)[O-] ZINC000833830651 642543307 /nfs/dbraw/zinc/54/33/07/642543307.db2.gz WETKQEYRZVOXDX-UWVGGRQHSA-N 0 1 297.315 0.864 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1cn[nH]c1 ZINC000854834758 644264999 /nfs/dbraw/zinc/26/49/99/644264999.db2.gz QJEPCUXQDFDWRK-KXUCPTDWSA-N 0 1 250.258 0.738 20 5 CCBDMN C[C@@]1(C2CC2)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000855294090 644302790 /nfs/dbraw/zinc/30/27/90/644302790.db2.gz NAEDBMPVICAFHB-FOGDFJRCSA-N 0 1 254.286 0.679 20 5 CCBDMN O=C([N-]C1C[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765292 644557942 /nfs/dbraw/zinc/55/79/42/644557942.db2.gz OTAPRVFZVDQTQA-UHFFFAOYSA-N 0 1 287.222 0.654 20 5 CCBDMN O=C(NC[C@@H]1CCc2cccnc21)[C@@H]1CC1[N+](=O)[O-] ZINC000857970000 644586036 /nfs/dbraw/zinc/58/60/36/644586036.db2.gz MSPZFMBMNCLCIB-HBNTYKKESA-N 0 1 261.281 0.893 20 5 CCBDMN O=C(NCc1cc2c([nH]c1=O)CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000862739268 645033848 /nfs/dbraw/zinc/03/38/48/645033848.db2.gz IHMOQONQRXBRMT-MWLCHTKSSA-N 0 1 277.280 0.557 20 5 CCBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CC=C[C@@H]2CO)cc1 ZINC000880489703 647212591 /nfs/dbraw/zinc/21/25/91/647212591.db2.gz XFYFLGLIQTZFQG-OLZOCXBDSA-N 0 1 264.281 0.861 20 5 CCBDMN O=C(NC[C@@H]1CC[C@H](C(F)(F)F)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000927570088 648570765 /nfs/dbraw/zinc/57/07/65/648570765.db2.gz SIHWXWHRQGCDKY-LXGUWJNJSA-N 0 1 282.218 0.878 20 5 CCBDMN CN1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]21 ZINC001164669959 719386451 /nfs/dbraw/zinc/38/64/51/719386451.db2.gz VWVLTNPXCZKZKP-GHMZBOCLSA-N 0 1 282.275 0.648 20 5 CCBDMN Cc1ncc([N+](=O)[O-])c(N2C[C@H]3OCCN(C)[C@H]3C2)n1 ZINC001164668794 719389456 /nfs/dbraw/zinc/38/94/56/719389456.db2.gz RXPIZPXVROMYCO-WDEREUQCSA-N 0 1 279.300 0.212 20 5 CCBDMN CN1CC[C@H](Nc2cc([N+](=O)[O-])c(=O)n(C)c2)C1 ZINC001167275119 790770253 /nfs/dbraw/zinc/77/02/53/790770253.db2.gz GRIKGTRQTLYFHL-QMMMGPOBSA-N 0 1 252.274 0.410 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@]12CCOC2 ZINC001121286490 799026598 /nfs/dbraw/zinc/02/65/98/799026598.db2.gz XSEHHJUWTRBACL-CKYFFXLPSA-N 0 1 254.286 0.823 20 5 CCBDMN CC(C)N1CCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 ZINC001121380997 799039283 /nfs/dbraw/zinc/03/92/83/799039283.db2.gz IQDAJYGSLKDAMI-UHFFFAOYSA-N 0 1 296.375 0.555 20 5 CCBDMN O=C(N[C@@H]1CCC[C@@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC001140756300 799939133 /nfs/dbraw/zinc/93/91/33/799939133.db2.gz FPXVIZAQXMHEQN-RNFRBKRXSA-N 0 1 254.246 0.209 20 5 CCBDMN O=C(NC[C@@H](O)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839475071 800026365 /nfs/dbraw/zinc/02/63/65/800026365.db2.gz XZRMCPFUZJETFH-GMTAPVOTSA-N 0 1 250.254 0.501 20 5 CCBDMN COc1ccc(CNC(=O)Cc2nnc[nH]2)cc1[N+](=O)[O-] ZINC001141987774 800053965 /nfs/dbraw/zinc/05/39/65/800053965.db2.gz SWIKWCIVVODTOD-UHFFFAOYSA-N 0 1 291.267 0.580 20 5 CCBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H](c2nn[nH]n2)C1 ZINC001152994385 800578094 /nfs/dbraw/zinc/57/80/94/800578094.db2.gz PEXYZYROFBKGET-VIFPVBQESA-N 0 1 288.267 0.738 20 5 CCBDMN COC(=O)[C@@H](N)C1CCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001155151846 800919571 /nfs/dbraw/zinc/91/95/71/800919571.db2.gz HZHAGGWZBXHICA-LBPRGKRZSA-N 0 1 294.311 0.707 20 5 CCBDMN Cc1nc(NCc2noc3c2CNCC3)ncc1[N+](=O)[O-] ZINC001155502449 800992560 /nfs/dbraw/zinc/99/25/60/800992560.db2.gz UEEHCNGWAAOKQU-UHFFFAOYSA-N 0 1 290.283 0.939 20 5 CCBDMN CCC1([N-]c2nc(OC)c([N+](=O)[O-])c(OC)n2)C[NH2+]C1 ZINC001157779262 801482409 /nfs/dbraw/zinc/48/24/09/801482409.db2.gz NPVULPRGAOUYGE-UHFFFAOYSA-N 0 1 283.288 0.566 20 5 CCBDMN CN(C1CN(c2cc([N+](=O)[O-])cc[n+]2[O-])C1)[C@H]1CCOC1 ZINC001158727375 801694446 /nfs/dbraw/zinc/69/44/46/801694446.db2.gz YGGAXMOLYXULHR-NSHDSACASA-N 0 1 294.311 0.138 20 5 CCBDMN Cc1nnc(CN)n1-c1ncc([N+](=O)[O-])cc1F ZINC001163345802 802536210 /nfs/dbraw/zinc/53/62/10/802536210.db2.gz FUWXISMJINTOIZ-UHFFFAOYSA-N 0 1 252.209 0.477 20 5 CCBDMN COC(=O)[C@@H]1C[C@@H](Oc2cc(O)ccc2[N+](=O)[O-])CN1C ZINC001225491499 805136331 /nfs/dbraw/zinc/13/63/31/805136331.db2.gz PNCRDJZGHNJTEF-KOLCDFICSA-N 0 1 296.279 0.925 20 5 CCBDMN O=[N+]([O-])c1cncnc1O[C@H]1CN2CCC1CC2 ZINC001228656105 805464535 /nfs/dbraw/zinc/46/45/35/805464535.db2.gz ZHZIAGHFTKHZAM-JTQLQIEISA-N 0 1 250.258 0.858 20 5 CCBDMN Cc1nc(OC[C@H]2COC(=O)O2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382314 805526503 /nfs/dbraw/zinc/52/65/03/805526503.db2.gz RJYJPPFMYIWBHO-YFKPBYRVSA-N 0 1 271.185 0.313 20 5 CCBDMN O=C(NCCOCCCO)c1cc(O)cc([N+](=O)[O-])c1 ZINC000342610930 807503089 /nfs/dbraw/zinc/50/30/89/807503089.db2.gz CLKOIIYNYULGDF-UHFFFAOYSA-N 0 1 284.268 0.429 20 5 CCBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](NC1(CCO)COC1)C2 ZINC001254574086 808260847 /nfs/dbraw/zinc/26/08/47/808260847.db2.gz FRVQIOXEVFVGEX-GFCCVEGCSA-N 0 1 278.308 0.803 20 5 CCBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCOC[C@H](O)C1)C2 ZINC001254595000 808264529 /nfs/dbraw/zinc/26/45/29/808264529.db2.gz UQMQNDVHRDDHES-UONOGXRCSA-N 0 1 278.308 0.755 20 5 CCBDMN C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C(=O)[O-] ZINC001261481661 808991961 /nfs/dbraw/zinc/99/19/61/808991961.db2.gz JNGNLSLRLRJWDV-UWVGGRQHSA-N 0 1 282.300 0.834 20 5 CCBDMN COC[C@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC001263260526 809498844 /nfs/dbraw/zinc/49/88/44/809498844.db2.gz DUQZCLSDEFLBTJ-MRVPVSSYSA-N 0 1 269.257 0.248 20 5 CCBDMN Cc1ccc(C(=O)NCCNCC[N+](=O)[O-])cc1 ZINC000905104070 815510084 /nfs/dbraw/zinc/51/00/84/815510084.db2.gz DLOATQRSNPLQFB-UHFFFAOYSA-N 0 1 251.286 0.591 20 5 CCBDMN C[N@H+]1CCC[C@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])C1 ZINC001226330858 813963648 /nfs/dbraw/zinc/96/36/48/813963648.db2.gz FCASDJKAXKIUTA-ZETCQYMHSA-N 0 1 254.246 0.563 20 5 CCBDMN O=C(NC1CN(Cc2ccc(F)cn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292509 815961170 /nfs/dbraw/zinc/96/11/70/815961170.db2.gz MGQHFTLMGUCMIA-VXGBXAGGSA-N 0 1 294.286 0.186 20 5 CCBDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCNC[C@H]1CO ZINC001122207854 816611257 /nfs/dbraw/zinc/61/12/57/816611257.db2.gz IYKIJRVLSJFYKQ-YIALFULDSA-N 0 1 291.307 0.401 20 5 CCBDMN Cc1nc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)co1 ZINC001031663279 817228222 /nfs/dbraw/zinc/22/82/22/817228222.db2.gz VTNWCJZMWDHTQJ-VXGBXAGGSA-N 0 1 294.311 0.196 20 5 CCBDMN Cn1nccc1[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC001129067185 819398364 /nfs/dbraw/zinc/39/83/64/819398364.db2.gz AZNXGOZLJMHRAX-CNVPUSNMSA-N 0 1 294.311 0.422 20 5 CCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@H](N)C(F)(F)C1 ZINC001166958666 821357344 /nfs/dbraw/zinc/35/73/44/821357344.db2.gz HFLBCYZGYQXKKX-VIFPVBQESA-N 0 1 288.254 0.709 20 5 CCBDMN O=C1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]2CCCN12 ZINC001169038595 836111524 /nfs/dbraw/zinc/11/15/24/836111524.db2.gz ZZLWYXCGUVFGIT-TUAOUCFPSA-N 0 1 267.329 0.738 20 5 CCBDMN CC(=O)N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169018802 836113728 /nfs/dbraw/zinc/11/37/28/836113728.db2.gz DZGAGNMBLKLPQT-RYUDHWBXSA-N 0 1 255.318 0.596 20 5 CCBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3ncncn3)CC2)C1 ZINC001169046916 836116854 /nfs/dbraw/zinc/11/68/54/836116854.db2.gz OHIHYJQRNYPERB-VXGBXAGGSA-N 0 1 292.343 0.439 20 5 CCBDMN COc1ccnc(NCC2CN(C)C2)c1[N+](=O)[O-] ZINC001170252044 837285056 /nfs/dbraw/zinc/28/50/56/837285056.db2.gz GJLKKLMOTZJTDA-UHFFFAOYSA-N 0 1 252.274 0.972 20 5 CCBDMN O=[N+]([O-])c1c[nH]c2ccc(NC[C@@H]3COCCN3)nc21 ZINC001159044319 838837959 /nfs/dbraw/zinc/83/79/59/838837959.db2.gz UOIKRVWLGXGOTL-MRVPVSSYSA-N 0 1 277.284 0.871 20 5 CCBDMN COc1cc(NCC2CN(C)C2)ncc1[N+](=O)[O-] ZINC001159218084 839030646 /nfs/dbraw/zinc/03/06/46/839030646.db2.gz LPCJZCAAUVMKBB-UHFFFAOYSA-N 0 1 252.274 0.972 20 5 CCBDMN CC[C@@](N)(CO)Nc1ccc(CC(=O)OC)c([N+](=O)[O-])c1 ZINC001170861800 839453414 /nfs/dbraw/zinc/45/34/14/839453414.db2.gz DVAOBCFHFRUZLT-ZDUSSCGKSA-N 0 1 297.311 0.780 20 5 CCBDMN Cc1nc(CCNc2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC001185649370 844441625 /nfs/dbraw/zinc/44/16/25/844441625.db2.gz IJZGWVOEANWIRR-UHFFFAOYSA-N 0 1 251.250 0.409 20 5 CCBDMN Cc1nnc(CCNc2c([N+](=O)[O-])cnn2C)[nH]1 ZINC001185649370 844441627 /nfs/dbraw/zinc/44/16/27/844441627.db2.gz IJZGWVOEANWIRR-UHFFFAOYSA-N 0 1 251.250 0.409 20 5 CCBDMN Cc1nc([C@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC001186720659 844597766 /nfs/dbraw/zinc/59/77/66/844597766.db2.gz LJBOVXXEEMYQNH-QMMMGPOBSA-N 0 1 275.272 0.805 20 5 CCBDMN Cc1nnc([C@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)[nH]1 ZINC001186720659 844597769 /nfs/dbraw/zinc/59/77/69/844597769.db2.gz LJBOVXXEEMYQNH-QMMMGPOBSA-N 0 1 275.272 0.805 20 5 CCBDMN C[C@@H]1COC[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001195166294 846475436 /nfs/dbraw/zinc/47/54/36/846475436.db2.gz UJTXBZIGUZIJHG-HTQZYQBOSA-N 0 1 287.297 0.303 20 5 CCBDMN CCn1cccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c1=O ZINC001276235696 848969719 /nfs/dbraw/zinc/96/97/19/848969719.db2.gz UNUSWTOWBLHVGL-VXNVDRBHSA-N 0 1 251.242 0.472 20 5 CCBDMN CC(C)C(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073013116 854515733 /nfs/dbraw/zinc/51/57/33/854515733.db2.gz RBAWGPOUVGCAEC-GHMZBOCLSA-N 0 1 297.355 0.805 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC(O)CC2)c1[N+](=O)[O-] ZINC001115994859 855708373 /nfs/dbraw/zinc/70/83/73/855708373.db2.gz GLVJNTZIIVEBCY-UHFFFAOYSA-N 0 1 254.246 0.223 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC001118947181 856503191 /nfs/dbraw/zinc/50/31/91/856503191.db2.gz BNKLSGWLUNOWSD-SSDOTTSWSA-N 0 1 276.256 0.671 20 5 CCBDMN C[C@@H](Nc1ccncc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001119973936 856943471 /nfs/dbraw/zinc/94/34/71/856943471.db2.gz IWQHVPQVSSRVPM-ZWNOBZJWSA-N 0 1 279.344 0.458 20 5 CCBDMN C[C@@H](Nc1ccncc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001119973936 856943475 /nfs/dbraw/zinc/94/34/75/856943475.db2.gz IWQHVPQVSSRVPM-ZWNOBZJWSA-N 0 1 279.344 0.458 20 5 CCBDMN O=[N+]([O-])c1ccccc1CNC[C@H](O)C1(O)CCC1 ZINC001120472063 857082034 /nfs/dbraw/zinc/08/20/34/857082034.db2.gz BJFYQVQDYIKWNN-LBPRGKRZSA-N 0 1 266.297 0.960 20 5 CCBDMN Cc1nc([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])nc2C)n[nH]1 ZINC001326475915 913979374 /nfs/dbraw/zinc/97/93/74/913979374.db2.gz VRQCXNRFKJPIMW-LURJTMIESA-N 0 1 293.287 0.404 20 5 CCBDMN CC(C)(C(=O)OCc1nnc[nH]1)n1cc([N+](=O)[O-])cn1 ZINC001327115787 914384331 /nfs/dbraw/zinc/38/43/31/914384331.db2.gz KDWFFTPXVBCCGE-UHFFFAOYSA-N 0 1 280.244 0.388 20 5 CCBDMN CCCC(=O)NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001488604689 900322584 /nfs/dbraw/zinc/32/25/84/900322584.db2.gz HBIBRHNETCTRKR-VXGBXAGGSA-N 0 1 295.339 0.727 20 5 CCBDMN CCCCC(=O)NCCN(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284601310 905391095 /nfs/dbraw/zinc/39/10/95/905391095.db2.gz JOFRDLVFVQBQQL-GHMZBOCLSA-N 0 1 285.344 0.807 20 5 CCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C=C(C)C ZINC001284611927 905400557 /nfs/dbraw/zinc/40/05/57/905400557.db2.gz MHSKNRHOWLFAPT-GHMZBOCLSA-N 0 1 283.328 0.583 20 5 CCBDMN CC/C(C)=C/C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285923514 905815006 /nfs/dbraw/zinc/81/50/06/905815006.db2.gz IZQOYLPPPRBYMM-WHTZOINASA-N 0 1 295.339 0.773 20 5 CCBDMN CCCN(CCNC(=O)C1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296473991 906920014 /nfs/dbraw/zinc/92/00/14/906920014.db2.gz PKLLLOYFXNYSKV-GHMZBOCLSA-N 0 1 283.328 0.416 20 5 CCBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1nccs1 ZINC001491695932 907511815 /nfs/dbraw/zinc/51/18/15/907511815.db2.gz AHZQBFMTNSGKLS-HTQZYQBOSA-N 0 1 298.324 0.044 20 5 CCBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC001306852698 908266915 /nfs/dbraw/zinc/26/69/15/908266915.db2.gz QVJZAQRPBWSJCW-MHTLYPKNSA-N 0 1 278.215 0.452 20 5 CCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(O)(C2CC2)C1 ZINC001338900890 921598547 /nfs/dbraw/zinc/59/85/47/921598547.db2.gz ZLHWUQLYSZJIOU-UHFFFAOYSA-N 0 1 278.264 0.897 20 5 CCBDMN Cc1nc([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC001322527663 911845036 /nfs/dbraw/zinc/84/50/36/911845036.db2.gz DSWJNOLWVNFVRC-LURJTMIESA-N 0 1 279.260 0.095 20 5 CCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C=CCCC2)n1 ZINC001328747127 915404719 /nfs/dbraw/zinc/40/47/19/915404719.db2.gz BMTCAHOAEMZZAL-MRVPVSSYSA-N 0 1 286.313 0.715 20 5 CCBDMN Cc1nc(N(C)CC2CN(C)C2)ncc1[N+](=O)[O-] ZINC001330080419 916402197 /nfs/dbraw/zinc/40/21/97/916402197.db2.gz XNSAKUZIBIGUNZ-UHFFFAOYSA-N 0 1 251.290 0.691 20 5 CCBDMN O=C(OCc1ccc2[nH]nnc2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001343397441 923300352 /nfs/dbraw/zinc/30/03/52/923300352.db2.gz OJXFMGGANDBNSF-GMSGAONNSA-N 0 1 262.225 0.666 20 5 CCBDMN COc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])sn1 ZINC001346259738 924135547 /nfs/dbraw/zinc/13/55/47/924135547.db2.gz QELKYMPNSZMZIA-RNFRBKRXSA-N 0 1 258.255 0.860 20 5 CCBDMN O=C(N[C@H]1CCn2cncc21)c1n[nH]cc1[N+](=O)[O-] ZINC001351288074 925396659 /nfs/dbraw/zinc/39/66/59/925396659.db2.gz NUCFJNKFDXFROV-LURJTMIESA-N 0 1 262.229 0.389 20 5 CCBDMN O=C(N[C@H]1CCn2c[nH+]cc21)c1[n-]ncc1[N+](=O)[O-] ZINC001351288074 925396668 /nfs/dbraw/zinc/39/66/68/925396668.db2.gz NUCFJNKFDXFROV-LURJTMIESA-N 0 1 262.229 0.389 20 5 CCBDMN CN1CCN(Cn2nccc2[N+](=O)[O-])CC1(C)C ZINC001353199236 925760002 /nfs/dbraw/zinc/76/00/02/925760002.db2.gz NUNFUWFABXJFAC-UHFFFAOYSA-N 0 1 253.306 0.775 20 5 CCBDMN C/C=C(\C)C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001357710549 926589277 /nfs/dbraw/zinc/58/92/77/926589277.db2.gz SAVDWKVFTHKAMV-PTAZPOHESA-N 0 1 281.312 0.406 20 5 CCBDMN Cc1noc(C)c1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001359925542 926939468 /nfs/dbraw/zinc/93/94/68/926939468.db2.gz GFRVXGFMVMOQTP-NXEZZACHSA-N 0 1 253.258 0.615 20 5 CCBDMN Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001360191658 926943342 /nfs/dbraw/zinc/94/33/42/926943342.db2.gz HUPGANMHTQVZQZ-SKWCMTHISA-N 0 1 252.274 0.571 20 5 CCBDMN O=C(Cc1ncn[nH]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001445054394 930018897 /nfs/dbraw/zinc/01/88/97/930018897.db2.gz WQAJQRXEVXYDHK-UHFFFAOYSA-N 0 1 273.252 0.798 20 5 CCBDMN Cc1nn(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001605440995 973498926 /nfs/dbraw/zinc/49/89/26/973498926.db2.gz RRJXTJOKNHOLGJ-NSHDSACASA-N 0 1 268.273 0.854 20 5 CCBDMN Cc1nn(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001605440995 973498932 /nfs/dbraw/zinc/49/89/32/973498932.db2.gz RRJXTJOKNHOLGJ-NSHDSACASA-N 0 1 268.273 0.854 20 5 CCBDMN C[N@H+]1CCN(Cc2cccnc2[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC001598621962 994020675 /nfs/dbraw/zinc/02/06/75/994020675.db2.gz XFIGLWYEGSMNRJ-LLVKDONJSA-N 0 1 294.311 0.438 20 5 CCBDMN C[C@@H]1CNCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000124503855 187139968 /nfs/dbraw/zinc/13/99/68/187139968.db2.gz VKOMHRHPBJUMFA-SNVBAGLBSA-N 0 1 278.312 0.827 20 5 CCBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C(N)=O)O1 ZINC000092005445 349480459 /nfs/dbraw/zinc/48/04/59/349480459.db2.gz ZGJUMFVRYYWMDC-PRHODGIISA-N 0 1 295.295 0.375 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC3(C2)CCCO3)c1[N+](=O)[O-] ZINC000600314028 361925752 /nfs/dbraw/zinc/92/57/52/361925752.db2.gz JLTQVTSIDOLQLL-UHFFFAOYSA-N 0 1 266.257 0.631 20 5 CCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCN1CC[C@@H](O)C1 ZINC000600526323 362003951 /nfs/dbraw/zinc/00/39/51/362003951.db2.gz HLYPYPDBCDZOCA-CYBMUJFWSA-N 0 1 293.323 0.320 20 5 CCBDMN O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000600807413 362063941 /nfs/dbraw/zinc/06/39/41/362063941.db2.gz CIHSDVCYMNRKGJ-VIFPVBQESA-N 0 1 295.295 0.097 20 5 CCBDMN O=C(NCCN1CC[C@H](O)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000600809486 362066798 /nfs/dbraw/zinc/06/67/98/362066798.db2.gz ZBSRQOZHPISSJH-LBPRGKRZSA-N 0 1 297.286 0.530 20 5 CCBDMN O=[N+]([O-])c1cnc(NC[C@H]2COCCN2)c(F)c1 ZINC000600953953 362098969 /nfs/dbraw/zinc/09/89/69/362098969.db2.gz HTYVFOBGOCPEHT-ZETCQYMHSA-N 0 1 256.237 0.529 20 5 CCBDMN CCc1nc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])n[nH]1 ZINC000191852120 529699056 /nfs/dbraw/zinc/69/90/56/529699056.db2.gz IFCFSUCBRVQWMV-UHFFFAOYSA-N 0 1 279.260 0.744 20 5 CCBDMN CCc1nn(C)c(N(C)Cc2n[nH]c(=O)o2)c1[N+](=O)[O-] ZINC000425285690 529767605 /nfs/dbraw/zinc/76/76/05/529767605.db2.gz TXTOVDAXYAWGCW-UHFFFAOYSA-N 0 1 282.260 0.616 20 5 CCBDMN CC(C)[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000602526281 362658623 /nfs/dbraw/zinc/65/86/23/362658623.db2.gz GZRGDSWLJKCLLS-NSHDSACASA-N 0 1 266.301 0.993 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000367264664 232291351 /nfs/dbraw/zinc/29/13/51/232291351.db2.gz OGAZTIWHLDQUQD-MRTMQBJTSA-N 0 1 296.245 0.958 20 5 CCBDMN CN(C)C(=O)[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602690457 362751587 /nfs/dbraw/zinc/75/15/87/362751587.db2.gz NCFVFRHNWNPDQE-VIFPVBQESA-N 0 1 281.316 0.238 20 5 CCBDMN Cn1cc(CN2C[C@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])n1 ZINC000602712631 362764480 /nfs/dbraw/zinc/76/44/80/362764480.db2.gz ZHPYIXYOGMRXGY-CMPLNLGQSA-N 0 1 266.301 0.797 20 5 CCBDMN CC(C)N1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC000270737949 190794186 /nfs/dbraw/zinc/79/41/86/190794186.db2.gz WVRGORYDAOGVPD-SSDOTTSWSA-N 0 1 281.272 0.057 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCN(CCO)[C@H](C)C1 ZINC000602813226 362813302 /nfs/dbraw/zinc/81/33/02/362813302.db2.gz VSRXGUSTDONTEG-LLVKDONJSA-N 0 1 297.359 0.098 20 5 CCBDMN Cn1cc(CN[C@@H]2CCOC2(C)C)c([N+](=O)[O-])n1 ZINC000602835898 362826460 /nfs/dbraw/zinc/82/64/60/362826460.db2.gz KTQMSTQYPJCQMK-SECBINFHSA-N 0 1 254.290 0.985 20 5 CCBDMN O=[N+]([O-])c1ccccc1CN1C[C@H](O)C[C@H]1CO ZINC000245743016 136974009 /nfs/dbraw/zinc/97/40/09/136974009.db2.gz WCGIMIKQLRVZRF-WDEREUQCSA-N 0 1 252.270 0.522 20 5 CCBDMN CCN1C[C@@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1C ZINC000345980417 137263037 /nfs/dbraw/zinc/26/30/37/137263037.db2.gz KRNFKBMPKKLJBG-VHSXEESVSA-N 0 1 296.331 0.127 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nnc[nH]1 ZINC000044747892 348325723 /nfs/dbraw/zinc/32/57/23/348325723.db2.gz BOWRYJGHPMFRBE-UHFFFAOYSA-N 0 1 261.241 0.951 20 5 CCBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC(N)=O ZINC000052831013 348515217 /nfs/dbraw/zinc/51/52/17/348515217.db2.gz CODYKRNREMBTQT-UHFFFAOYSA-N 0 1 294.311 0.649 20 5 CCBDMN O=C(NCCCc1nc[nH]n1)c1ccc([N+](=O)[O-])o1 ZINC000080569236 349217908 /nfs/dbraw/zinc/21/79/08/349217908.db2.gz JGVJNKWHGWRKRC-UHFFFAOYSA-N 0 1 265.229 0.669 20 5 CCBDMN O=C(NCCc1nc[nH]n1)c1ccc([N+](=O)[O-])s1 ZINC000080578553 349218538 /nfs/dbraw/zinc/21/85/38/349218538.db2.gz CJEPMVIPKJWBHZ-UHFFFAOYSA-N 0 1 267.270 0.747 20 5 CCBDMN CN(C)CCN(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000081061055 349244256 /nfs/dbraw/zinc/24/42/56/349244256.db2.gz SCOUNFKREMUVEQ-UHFFFAOYSA-N 0 1 288.329 0.172 20 5 CCBDMN O=[N+]([O-])c1cc(Cl)ccc1CNC(CO)CO ZINC000087753311 349354044 /nfs/dbraw/zinc/35/40/44/349354044.db2.gz RROKDSDDAVYCNF-UHFFFAOYSA-N 0 1 260.677 0.691 20 5 CCBDMN O=[N+]([O-])c1cc(Cl)cnc1NCc1nn[nH]n1 ZINC000148507815 350473874 /nfs/dbraw/zinc/47/38/74/350473874.db2.gz XEZBGKLYMWCXJJ-UHFFFAOYSA-N 0 1 255.625 0.768 20 5 CCBDMN NC(=O)C1(NCCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000152431287 350527411 /nfs/dbraw/zinc/52/74/11/350527411.db2.gz HBZDNINMKGSFFZ-UHFFFAOYSA-N 0 1 265.269 0.581 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159168791 350671657 /nfs/dbraw/zinc/67/16/57/350671657.db2.gz AFTKBFFPCJQOEY-PHIMTYICSA-N 0 1 293.327 0.453 20 5 CCBDMN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000167228867 350807797 /nfs/dbraw/zinc/80/77/97/350807797.db2.gz UTZRKHDFCXQHRG-RNCFNFMXSA-N 0 1 293.323 0.896 20 5 CCBDMN CNS(=O)(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000187192078 351533982 /nfs/dbraw/zinc/53/39/82/351533982.db2.gz GKSHRHDDRAUNBC-VIFPVBQESA-N 0 1 287.341 0.795 20 5 CCBDMN CN1CCN(CCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000226770203 352033623 /nfs/dbraw/zinc/03/36/23/352033623.db2.gz ZTPZVDMKXOVYLG-UHFFFAOYSA-N 0 1 271.346 0.711 20 5 CCBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1nnc[nH]1 ZINC000230698774 352117970 /nfs/dbraw/zinc/11/79/70/352117970.db2.gz LTZJUGOGRWWSOF-RXMQYKEDSA-N 0 1 277.244 0.181 20 5 CCBDMN O=C(NC[C@H]1COCCN1)Nc1ccc([N+](=O)[O-])cc1 ZINC000236408253 352194107 /nfs/dbraw/zinc/19/41/07/352194107.db2.gz QQHFKKQXVQIELB-JTQLQIEISA-N 0 1 280.284 0.705 20 5 CCBDMN CC1(C)[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000245912022 352341826 /nfs/dbraw/zinc/34/18/26/352341826.db2.gz VSRHTLUNFGRLRB-BDODKLCJSA-N 0 1 280.284 0.861 20 5 CCBDMN CCc1[nH]nc(C(=O)N(C)CC(C)(C)O)c1[N+](=O)[O-] ZINC000267122321 352746238 /nfs/dbraw/zinc/74/62/38/352746238.db2.gz PRIDRYJJRRBMLY-UHFFFAOYSA-N 0 1 270.289 0.723 20 5 CCBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1nnc[nH]1 ZINC000268038710 352805131 /nfs/dbraw/zinc/80/51/31/352805131.db2.gz JHUIKVGDXNRNPP-UHFFFAOYSA-N 0 1 275.268 0.962 20 5 CCBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000270548021 352946744 /nfs/dbraw/zinc/94/67/44/352946744.db2.gz IMENYPRRPJHDIB-CBAPKCEASA-N 0 1 282.300 0.723 20 5 CCBDMN CC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1O ZINC000270695951 352969321 /nfs/dbraw/zinc/96/93/21/352969321.db2.gz WVUJGEXLIKYWIE-HTQZYQBOSA-N 0 1 268.273 0.469 20 5 CCBDMN CN1CC[C@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 ZINC000272538895 353072264 /nfs/dbraw/zinc/07/22/64/353072264.db2.gz BSJBPEUWDZRLDQ-WPRPVWTQSA-N 0 1 279.300 0.484 20 5 CCBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000272564003 353074455 /nfs/dbraw/zinc/07/44/55/353074455.db2.gz MEPYGGOQMXZJCF-ZETCQYMHSA-N 0 1 281.268 0.507 20 5 CCBDMN Cc1n[nH]c(CCNC(=O)Nc2ccncc2[N+](=O)[O-])n1 ZINC000272644618 353082229 /nfs/dbraw/zinc/08/22/29/353082229.db2.gz CZQAMUNXHPNRGW-UHFFFAOYSA-N 0 1 291.271 0.781 20 5 CCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000272811043 353096404 /nfs/dbraw/zinc/09/64/04/353096404.db2.gz LBHSDOVGSAZCMT-JGVFFNPUSA-N 0 1 282.300 0.723 20 5 CCBDMN Cc1nc(N2C[C@@H](C)N(CCO)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000419010605 234286406 /nfs/dbraw/zinc/28/64/06/234286406.db2.gz ZBAVEXYYLXGHPU-ZJUUUORDSA-N 0 1 295.343 0.585 20 5 CCBDMN CNC(=O)C1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000274339194 353120759 /nfs/dbraw/zinc/12/07/59/353120759.db2.gz ATHHJIOJGGFRCK-UHFFFAOYSA-N 0 1 279.252 0.118 20 5 CCBDMN CC[C@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000157935116 188347972 /nfs/dbraw/zinc/34/79/72/188347972.db2.gz UWLBNNGHKMKPEG-SSDOTTSWSA-N 0 1 292.288 0.783 20 5 CCBDMN CCN(CCOCCO)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000282333657 353414867 /nfs/dbraw/zinc/41/48/67/353414867.db2.gz DINWBAZNCPCDAW-UHFFFAOYSA-N 0 1 286.288 0.097 20 5 CCBDMN CCNC(=O)NCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000293713503 353833117 /nfs/dbraw/zinc/83/31/17/353833117.db2.gz BGUQFAKFOREXGU-UHFFFAOYSA-N 0 1 296.283 0.349 20 5 CCBDMN COC(=O)CCCN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299438859 354016344 /nfs/dbraw/zinc/01/63/44/354016344.db2.gz IQKZKYTXXZYMES-UHFFFAOYSA-N 0 1 284.272 0.652 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H](O)C[C@H]1CO ZINC000330453460 354365403 /nfs/dbraw/zinc/36/54/03/354365403.db2.gz LKKKLZHMVPPSDM-ONGXEEELSA-N 0 1 268.269 0.228 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC2(CN(C)C2)C1 ZINC000619251691 366224217 /nfs/dbraw/zinc/22/42/17/366224217.db2.gz MQFFPOXJOVIIEQ-UHFFFAOYSA-N 0 1 293.327 0.264 20 5 CCBDMN COc1ccc(CN(CCO)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000336832888 355206183 /nfs/dbraw/zinc/20/61/83/355206183.db2.gz GBIGZBPSVGGVIZ-JTQLQIEISA-N 0 1 284.312 0.779 20 5 CCBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1c[nH]nc1[N+](=O)[O-] ZINC000558766491 291072875 /nfs/dbraw/zinc/07/28/75/291072875.db2.gz YLXBLTHTBNSGIR-QMMMGPOBSA-N 0 1 276.256 0.848 20 5 CCBDMN O=C(Nc1nn[nH]n1)c1ccc([N+](=O)[O-])cc1F ZINC000342857255 355759800 /nfs/dbraw/zinc/75/98/00/355759800.db2.gz LEVRPJLGWDEWKZ-UHFFFAOYSA-N 0 1 252.165 0.499 20 5 CCBDMN CNC(=O)[C@@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000354586102 356445627 /nfs/dbraw/zinc/44/56/27/356445627.db2.gz ZTWLYHKRFBOWMR-QMMMGPOBSA-N 0 1 295.299 0.367 20 5 CCBDMN COc1ccc(CC(=O)NCc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000610494663 363568570 /nfs/dbraw/zinc/56/85/70/363568570.db2.gz ZBFYKMKNNUCLDY-UHFFFAOYSA-N 0 1 291.267 0.580 20 5 CCBDMN Cn1ccnc1C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000366217884 357192703 /nfs/dbraw/zinc/19/27/03/357192703.db2.gz ILEJOFNAOKIWOK-QJPTWQEYSA-N 0 1 292.339 0.866 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOc2cc(O)ccc2C1 ZINC000376393953 357462995 /nfs/dbraw/zinc/46/29/95/357462995.db2.gz GMSOFFLCOJFJDR-GHMZBOCLSA-N 0 1 278.264 0.778 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCCOCC2)c1[N+](=O)[O-] ZINC000408077675 357906091 /nfs/dbraw/zinc/90/60/91/357906091.db2.gz ARUJUBYMRPOGDL-UHFFFAOYSA-N 0 1 254.246 0.489 20 5 CCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCN(C)CC2)n1 ZINC000408371262 358058102 /nfs/dbraw/zinc/05/81/02/358058102.db2.gz ADUOUVHMXPJKOG-UHFFFAOYSA-N 0 1 281.316 0.589 20 5 CCBDMN CN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000610772184 363612962 /nfs/dbraw/zinc/61/29/62/363612962.db2.gz UDBSPWNGTAVULK-VIFPVBQESA-N 0 1 264.285 0.814 20 5 CCBDMN Nc1nc(N2CCc3cn[nH]c3C2)ncc1[N+](=O)[O-] ZINC000611006647 363648001 /nfs/dbraw/zinc/64/80/01/363648001.db2.gz LJBZOSVFNFKKDP-UHFFFAOYSA-N 0 1 261.245 0.083 20 5 CCBDMN Cc1c(C(=O)Nc2n[nH]c3ncnn23)cccc1[N+](=O)[O-] ZINC000590380323 359446899 /nfs/dbraw/zinc/44/68/99/359446899.db2.gz XZTMOIBYQIOHFF-UHFFFAOYSA-N 0 1 287.239 0.921 20 5 CCBDMN CC1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[NH2+]CC1 ZINC000563110260 291194419 /nfs/dbraw/zinc/19/44/19/291194419.db2.gz ODBVOVGHWWDQGS-UHFFFAOYSA-N 0 1 294.311 0.815 20 5 CCBDMN CC(C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@]1(O)CCOC1 ZINC000592876070 359968523 /nfs/dbraw/zinc/96/85/23/359968523.db2.gz WBXMCBVIDYVQFW-GFCCVEGCSA-N 0 1 298.299 0.225 20 5 CCBDMN CCN(CCO)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000298289754 200384614 /nfs/dbraw/zinc/38/46/14/200384614.db2.gz BWZGJWXDJLVLSQ-UHFFFAOYSA-N 0 1 278.268 0.926 20 5 CCBDMN O=C(NCCC1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000593925105 360218225 /nfs/dbraw/zinc/21/82/25/360218225.db2.gz AWROAJKKHHJLHR-UHFFFAOYSA-N 0 1 294.311 0.815 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1C[C@@H](O)C1(C)C ZINC000594003809 360233139 /nfs/dbraw/zinc/23/31/39/360233139.db2.gz ZNITURTWLOGILW-RKDXNWHRSA-N 0 1 254.290 0.577 20 5 CCBDMN CO[C@@H](C)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594754269 360376997 /nfs/dbraw/zinc/37/69/97/360376997.db2.gz ZLECGZWKBVOFNY-QMMMGPOBSA-N 0 1 289.313 0.693 20 5 CCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCCOC1 ZINC000594753411 360377064 /nfs/dbraw/zinc/37/70/64/360377064.db2.gz AUVSZXGNPKHGKC-QMMMGPOBSA-N 0 1 287.297 0.447 20 5 CCBDMN CC[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])[C@H](C)O ZINC000594779567 360381911 /nfs/dbraw/zinc/38/19/11/360381911.db2.gz VFSBBTVNPDTZDK-YUMQZZPRSA-N 0 1 289.313 0.428 20 5 CCBDMN O=C(NCc1c[nH]nn1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000611514642 363730221 /nfs/dbraw/zinc/73/02/21/363730221.db2.gz YLHRWSLHZBOHTN-UHFFFAOYSA-N 0 1 291.223 0.372 20 5 CCBDMN Cc1cc(S(=O)(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000178538192 189125002 /nfs/dbraw/zinc/12/50/02/189125002.db2.gz IJOMQFSPHPEEJX-UHFFFAOYSA-N 0 1 287.341 0.743 20 5 CCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)Cc1cnc[nH]1 ZINC000597866545 361274092 /nfs/dbraw/zinc/27/40/92/361274092.db2.gz XUONJZZQAVIJNL-UHFFFAOYSA-N 0 1 292.299 0.872 20 5 CCBDMN COCc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000598055375 361324787 /nfs/dbraw/zinc/32/47/87/361324787.db2.gz RTPBOEMWSTXLCD-UHFFFAOYSA-N 0 1 291.267 0.789 20 5 CCBDMN COCc1nnc(CNC(=O)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000598055375 361324790 /nfs/dbraw/zinc/32/47/90/361324790.db2.gz RTPBOEMWSTXLCD-UHFFFAOYSA-N 0 1 291.267 0.789 20 5 CCBDMN CN(CC1C[NH+](C)C1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598161281 361346803 /nfs/dbraw/zinc/34/68/03/361346803.db2.gz PWJSKANSBNHFCK-UHFFFAOYSA-N 0 1 280.284 0.329 20 5 CCBDMN Cc1nn(C)c(NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599176396 361599544 /nfs/dbraw/zinc/59/95/44/361599544.db2.gz SOWRGHVFQDERAP-SECBINFHSA-N 0 1 269.305 0.115 20 5 CCBDMN C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CCC1 ZINC000599266953 361627434 /nfs/dbraw/zinc/62/74/34/361627434.db2.gz VWLHKYFVDHIBLN-SSDOTTSWSA-N 0 1 288.329 0.795 20 5 CCBDMN CSCCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599235365 361617874 /nfs/dbraw/zinc/61/78/74/361617874.db2.gz XNPHPGLUTHKEJQ-UHFFFAOYSA-N 0 1 294.358 0.360 20 5 CCBDMN CC1CC(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599356995 361667907 /nfs/dbraw/zinc/66/79/07/361667907.db2.gz PZYMZCNAMPTCTE-UHFFFAOYSA-N 0 1 288.329 0.653 20 5 CCBDMN CO[C@H]1CCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000342548268 216393657 /nfs/dbraw/zinc/39/36/57/216393657.db2.gz SKNABWBNUVMMKC-CBAPKCEASA-N 0 1 268.273 0.863 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC(C(C)(C)O)C2)c1[N+](=O)[O-] ZINC000275682796 193104525 /nfs/dbraw/zinc/10/45/25/193104525.db2.gz SMEJSBVREJPPKS-UHFFFAOYSA-N 0 1 268.273 0.469 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)[C@H]2CO)c1[N+](=O)[O-] ZINC000276000124 193184927 /nfs/dbraw/zinc/18/49/27/193184927.db2.gz OFNCYRBEMJZCRD-POYBYMJQSA-N 0 1 268.273 0.469 20 5 CCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000330786822 203235771 /nfs/dbraw/zinc/23/57/71/203235771.db2.gz WDRXIKCGAKATLR-SFYZADRCSA-N 0 1 268.273 0.863 20 5 CCBDMN COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338982977 284179374 /nfs/dbraw/zinc/17/93/74/284179374.db2.gz NUFBKUVSHBZLIB-JQWIXIFHSA-N 0 1 296.279 0.409 20 5 CCBDMN COC(=O)C[C@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574570473 335030295 /nfs/dbraw/zinc/03/02/95/335030295.db2.gz PODGXMVXBZIEDU-KCJUWKMLSA-N 0 1 295.295 0.662 20 5 CCBDMN O=[N+]([O-])c1nn(CCc2c[nH]nn2)cc1Br ZINC000515339802 249127874 /nfs/dbraw/zinc/12/78/74/249127874.db2.gz VJHIIOOPXDVBIH-UHFFFAOYSA-N 0 1 287.077 0.915 20 5 CCBDMN O=[N+]([O-])c1ccc(CN[C@]2(CO)CCOC2)cc1 ZINC000184180176 285115748 /nfs/dbraw/zinc/11/57/48/285115748.db2.gz JIMZDXHFXJDUQS-LBPRGKRZSA-N 0 1 252.270 0.836 20 5 CCBDMN CC[N@H+]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290662788 388910178 /nfs/dbraw/zinc/91/01/78/388910178.db2.gz QBQAPFMYCPDFTO-UHFFFAOYSA-N 0 1 293.327 0.621 20 5 CCBDMN Cc1nnc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)[nH]1 ZINC000264211507 389313010 /nfs/dbraw/zinc/31/30/10/389313010.db2.gz TUESFHDLKKAHIA-UHFFFAOYSA-N 0 1 265.233 0.165 20 5 CCBDMN Cc1n[nH]c(NC(=O)Cn2cc([N+](=O)[O-])nc2C)n1 ZINC000264211507 389313012 /nfs/dbraw/zinc/31/30/12/389313012.db2.gz TUESFHDLKKAHIA-UHFFFAOYSA-N 0 1 265.233 0.165 20 5 CCBDMN CCCN(CC(=O)N(C)C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264263239 389316535 /nfs/dbraw/zinc/31/65/35/389316535.db2.gz QCOXVZCSPSSVAR-UHFFFAOYSA-N 0 1 297.315 0.567 20 5 CCBDMN NC(=O)CC1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000421924070 389382910 /nfs/dbraw/zinc/38/29/10/389382910.db2.gz TWWNLTGNYKVPSD-UHFFFAOYSA-N 0 1 293.279 0.686 20 5 CCBDMN CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000422036642 389393034 /nfs/dbraw/zinc/39/30/34/389393034.db2.gz NXWUFMUXYBAYBG-SNVBAGLBSA-N 0 1 294.311 0.862 20 5 CCBDMN CN(C[C@H]1CCC[N@H+]1C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000422036642 389393037 /nfs/dbraw/zinc/39/30/37/389393037.db2.gz NXWUFMUXYBAYBG-SNVBAGLBSA-N 0 1 294.311 0.862 20 5 CCBDMN CSc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])cnc2N)n1 ZINC000350173521 389494884 /nfs/dbraw/zinc/49/48/84/389494884.db2.gz CFFLXTRLQFTFMD-UHFFFAOYSA-N 0 1 295.284 0.664 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(N(C)CC(=O)N2CCNCC2)n1 ZINC000163002092 389423161 /nfs/dbraw/zinc/42/31/61/389423161.db2.gz RJYVMOCCTHMRLG-UHFFFAOYSA-N 0 1 293.327 0.166 20 5 CCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCc2c1cnn2C ZINC000372126929 389444466 /nfs/dbraw/zinc/44/44/66/389444466.db2.gz UERMFJPCTZKYHP-HLUHBDAQSA-N 0 1 278.312 0.921 20 5 CCBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1nnc[nH]1 ZINC000176231467 389555343 /nfs/dbraw/zinc/55/53/43/389555343.db2.gz NOAKEULWHYGDSX-RXMQYKEDSA-N 0 1 278.228 0.305 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000428608894 389710084 /nfs/dbraw/zinc/71/00/84/389710084.db2.gz ZKLFCLKHJUVDFB-MRVPVSSYSA-N 0 1 268.273 0.613 20 5 CCBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCn3c(n[nH]c3=O)C2)n1 ZINC000408258052 389838264 /nfs/dbraw/zinc/83/82/64/389838264.db2.gz XJTRSPSTOZKSSM-UHFFFAOYSA-N 0 1 290.283 0.924 20 5 CCBDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445146917 389921769 /nfs/dbraw/zinc/92/17/69/389921769.db2.gz ZLLOHYBCQRRWLE-DTWKUNHWSA-N 0 1 294.311 0.860 20 5 CCBDMN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)[C@@H](C)O1 ZINC000446073209 389930552 /nfs/dbraw/zinc/93/05/52/389930552.db2.gz XBIZZOBMYTVDIX-XZUYRWCXSA-N 0 1 298.343 0.650 20 5 CCBDMN C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436964967 389988734 /nfs/dbraw/zinc/98/87/34/389988734.db2.gz JJUCHCDLMQCKRE-CYBMUJFWSA-N 0 1 295.295 0.097 20 5 CCBDMN C[NH+](C)CC(C)(C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000457250367 390036021 /nfs/dbraw/zinc/03/60/21/390036021.db2.gz UKTOXWNQYBTGAY-UHFFFAOYSA-N 0 1 282.300 0.765 20 5 CCBDMN CC(C)[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000489364848 390099625 /nfs/dbraw/zinc/09/96/25/390099625.db2.gz JJNSJABJGOAPOF-NSHDSACASA-N 0 1 295.343 0.590 20 5 CCBDMN CC(CO)(CO)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000579132306 390146276 /nfs/dbraw/zinc/14/62/76/390146276.db2.gz RLMVXGYQIPHYJI-UHFFFAOYSA-N 0 1 284.268 0.021 20 5 CCBDMN COC(=O)[C@H](C)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000281731342 195355841 /nfs/dbraw/zinc/35/58/41/195355841.db2.gz IVDCTAPZGLAHDV-ZETCQYMHSA-N 0 1 282.252 0.934 20 5 CCBDMN CC(C)(C)OC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000496036491 390286325 /nfs/dbraw/zinc/28/63/25/390286325.db2.gz PDJHNAYLDKBNNG-RKDXNWHRSA-N 0 1 285.300 0.387 20 5 CCBDMN C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000247487557 131104129 /nfs/dbraw/zinc/10/41/29/131104129.db2.gz UASFMSMQLNYUDX-GHMZBOCLSA-N 0 1 295.343 0.590 20 5 CCBDMN Cc1cc(N2CCN(C[C@H](C)O)CC2)ncc1[N+](=O)[O-] ZINC000275069033 135103661 /nfs/dbraw/zinc/10/36/61/135103661.db2.gz YVOIMAUZAOQAJY-NSHDSACASA-N 0 1 280.328 0.801 20 5 CCBDMN CCC[C@H]1CNCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000359207961 144202212 /nfs/dbraw/zinc/20/22/12/144202212.db2.gz ZZVGCEAXINJLBH-NSHDSACASA-N 0 1 295.343 0.700 20 5 CCBDMN CSc1n[nH]c(NC(=O)c2c[nH]nc2[N+](=O)[O-])n1 ZINC000549189860 286089195 /nfs/dbraw/zinc/08/91/95/286089195.db2.gz GIWUWGRBOZBTKC-UHFFFAOYSA-N 0 1 269.246 0.410 20 5 CCBDMN CNc1nccc(C(=O)N[C@@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC000553210698 286185103 /nfs/dbraw/zinc/18/51/03/286185103.db2.gz MQVMSDWOJNBVRL-LURJTMIESA-N 0 1 291.271 0.063 20 5 CCBDMN Cc1nn(Cc2nc(C(C)(C)N)no2)cc1[N+](=O)[O-] ZINC000518973406 265266074 /nfs/dbraw/zinc/26/60/74/265266074.db2.gz SWVGMZHSLKOQJC-UHFFFAOYSA-N 0 1 266.261 0.725 20 5 CCBDMN C[C@@H](O)CN1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193521642 278402212 /nfs/dbraw/zinc/40/22/12/278402212.db2.gz HPSYWFDTWKAYAR-SNVBAGLBSA-N 0 1 280.328 0.680 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCCC[C@@H]1C(N)=O ZINC000445798559 279384689 /nfs/dbraw/zinc/38/46/89/279384689.db2.gz PZXWCCAGNURAIO-IUCAKERBSA-N 0 1 281.316 0.462 20 5 CCBDMN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCc2[nH]nnc2C1 ZINC000345942985 295362899 /nfs/dbraw/zinc/36/28/99/295362899.db2.gz IVMKYSIDLBEIDN-UHFFFAOYSA-N 0 1 288.267 0.494 20 5 CCBDMN NC(=O)[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000341679936 303326188 /nfs/dbraw/zinc/32/61/88/303326188.db2.gz YZADSFRSLZEYKY-LLVKDONJSA-N 0 1 293.279 0.780 20 5 CCBDMN COc1ccc(OCCn2nnnc2CN)c([N+](=O)[O-])c1 ZINC000576344153 335191885 /nfs/dbraw/zinc/19/18/85/335191885.db2.gz UKEQZHALERQZCZ-UHFFFAOYSA-N 0 1 294.271 0.128 20 5 CCBDMN CC[C@H]1CN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000428067248 529294733 /nfs/dbraw/zinc/29/47/33/529294733.db2.gz RUNBKSGHSFIZPI-VIFPVBQESA-N 0 1 297.315 0.159 20 5 CCBDMN CC(C)CN1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356486051 535100894 /nfs/dbraw/zinc/10/08/94/535100894.db2.gz KTTUXSJJROZVEG-UHFFFAOYSA-N 0 1 295.343 0.742 20 5 CCBDMN O=C(CNc1ccccc1[N+](=O)[O-])Nc1c[nH]nn1 ZINC000789928995 581164967 /nfs/dbraw/zinc/16/49/67/581164967.db2.gz SHYWRPIIGWCHCG-UHFFFAOYSA-N 0 1 262.229 0.764 20 5 CCBDMN CO[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000753807507 581557955 /nfs/dbraw/zinc/55/79/55/581557955.db2.gz UJCFNWRHHPQJIT-MCIONIFRSA-N 0 1 296.323 0.974 20 5 CCBDMN CCCc1[nH]nc(C(=O)N(CC)CC(=O)NC)c1[N+](=O)[O-] ZINC000756995140 581689581 /nfs/dbraw/zinc/68/95/81/581689581.db2.gz KWZQKQRNVXNPGG-UHFFFAOYSA-N 0 1 297.315 0.479 20 5 CCBDMN Cn1cnnc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000770846801 581774980 /nfs/dbraw/zinc/77/49/80/581774980.db2.gz UIZOVLOTSYAZSU-UHFFFAOYSA-N 0 1 251.202 0.408 20 5 CCBDMN C[C@@H](C(=O)[O-])[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000819888355 597466461 /nfs/dbraw/zinc/46/64/61/597466461.db2.gz BJCWOWFFQMJINZ-QMMMGPOBSA-N 0 1 269.257 0.161 20 5 CCBDMN O=C([O-])[C@@]1(F)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000833175223 601447645 /nfs/dbraw/zinc/44/76/45/601447645.db2.gz OESFCQXBUBMUMM-SNVBAGLBSA-N 0 1 272.236 0.290 20 5 CCBDMN O=C([O-])[C@@]1(F)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000833175223 601447647 /nfs/dbraw/zinc/44/76/47/601447647.db2.gz OESFCQXBUBMUMM-SNVBAGLBSA-N 0 1 272.236 0.290 20 5 CCBDMN CC(C)(CCC(=O)NCCc1nc[nH]n1)[N+](=O)[O-] ZINC000848152842 614081436 /nfs/dbraw/zinc/08/14/36/614081436.db2.gz MTVXNFDYQLJCJF-UHFFFAOYSA-N 0 1 255.278 0.299 20 5 CCBDMN CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000963967108 613781853 /nfs/dbraw/zinc/78/18/53/613781853.db2.gz GUEZBECKYZQTOT-DDHJBXDOSA-N 0 1 283.328 0.463 20 5 CCBDMN CC(C)(C)OC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839715990 613972394 /nfs/dbraw/zinc/97/23/94/613972394.db2.gz KKNPRTJYTZENCP-NXEZZACHSA-N 0 1 299.327 0.635 20 5 CCBDMN CC(C)(C)OC(=O)N1CCOC[C@@H]1CNCC[N+](=O)[O-] ZINC000905387899 613976658 /nfs/dbraw/zinc/97/66/58/613976658.db2.gz ZMDLQDALTJIXLT-JTQLQIEISA-N 0 1 289.332 0.489 20 5 CCBDMN CC(C)(C)OC(=O)N1CC[C@H](NCC[N+](=O)[O-])C1 ZINC000905103233 613979319 /nfs/dbraw/zinc/97/93/19/613979319.db2.gz KOYWDWSTDMBDSL-VIFPVBQESA-N 0 1 259.306 0.862 20 5 CCBDMN CC(C)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccnn1C ZINC000839733614 614096319 /nfs/dbraw/zinc/09/63/19/614096319.db2.gz KYDBWHQVUXUNAX-CKYFFXLPSA-N 0 1 280.328 0.941 20 5 CCBDMN CC(C)(F)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973784930 614153680 /nfs/dbraw/zinc/15/36/80/614153680.db2.gz MGTJJIVYAMWVTL-BZNPZCIMSA-N 0 1 287.291 0.163 20 5 CCBDMN CC(C)[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCCO1 ZINC000839780447 614270223 /nfs/dbraw/zinc/27/02/23/614270223.db2.gz STAXQFBUMUFPSC-GMTAPVOTSA-N 0 1 256.302 0.925 20 5 CCBDMN CC1(C)C(=O)N[C@@H]1C1CCN(CC[N+](=O)[O-])CC1 ZINC000930584595 614502086 /nfs/dbraw/zinc/50/20/86/614502086.db2.gz GFLWDGUFHJRSIY-SNVBAGLBSA-N 0 1 255.318 0.500 20 5 CCBDMN CCN(C)C(=O)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819242135 614838804 /nfs/dbraw/zinc/83/88/04/614838804.db2.gz AKBPCYIOAWLVPH-LBPRGKRZSA-N 0 1 281.312 0.696 20 5 CCBDMN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686934 614986579 /nfs/dbraw/zinc/98/65/79/614986579.db2.gz SIGRLHOSOAEEQD-GMTAPVOTSA-N 0 1 283.328 0.511 20 5 CCBDMN CCNC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840449841 615053530 /nfs/dbraw/zinc/05/35/30/615053530.db2.gz JMPNKFZASDLBCI-GMTAPVOTSA-N 0 1 283.328 0.559 20 5 CCBDMN CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)(C)C1=O ZINC000839730668 615151591 /nfs/dbraw/zinc/15/15/91/615151591.db2.gz JAAIVHPSBQNPJM-RKDXNWHRSA-N 0 1 269.301 0.121 20 5 CCBDMN CCOC(=O)[C@H](CSC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000928284672 615359991 /nfs/dbraw/zinc/35/99/91/615359991.db2.gz MJLFFPMICPRMSA-GJMOJQLCSA-N 0 1 276.314 0.063 20 5 CCBDMN CCOC(=O)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000932644047 615378295 /nfs/dbraw/zinc/37/82/95/615378295.db2.gz GMPQJIHCHYPVMW-JTQLQIEISA-N 0 1 282.300 0.676 20 5 CCBDMN CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]21 ZINC000928115293 615389644 /nfs/dbraw/zinc/38/96/44/615389644.db2.gz UGPRGCJMXLLLPQ-KAMPLNKDSA-N 0 1 282.296 0.309 20 5 CCBDMN CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856306989 615394896 /nfs/dbraw/zinc/39/48/96/615394896.db2.gz IISGIWYELJVLJE-ORXSELOVSA-N 0 1 284.312 0.890 20 5 CCBDMN CCc1nc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC000839665059 615745817 /nfs/dbraw/zinc/74/58/17/615745817.db2.gz DKRADRIIPBFAIV-HTQZYQBOSA-N 0 1 255.299 0.987 20 5 CCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000839717794 615808252 /nfs/dbraw/zinc/80/82/52/615808252.db2.gz KIXOFEOWJCEANI-XZBKPIIZSA-N 0 1 270.207 0.470 20 5 CCBDMN CN(C)C(=O)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818941527 615971281 /nfs/dbraw/zinc/97/12/81/615971281.db2.gz XJCORHSOYWWNBF-LLVKDONJSA-N 0 1 267.285 0.306 20 5 CCBDMN C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000820580012 616068598 /nfs/dbraw/zinc/06/85/98/616068598.db2.gz PIUUQTWYCPHYJO-UHFFFAOYSA-N 0 1 281.268 0.940 20 5 CCBDMN CN(C[C@@H]1CCCC[C@H]1O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839720532 616135287 /nfs/dbraw/zinc/13/52/87/616135287.db2.gz LQKGJVDHZSKERF-LNFKQOIKSA-N 0 1 256.302 0.661 20 5 CCBDMN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000852497179 616147253 /nfs/dbraw/zinc/14/72/53/616147253.db2.gz VZJOXVBWOZXYFK-KGLIPLIRSA-N 0 1 296.323 0.975 20 5 CCBDMN CN1CC[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1=O ZINC000816448833 616420273 /nfs/dbraw/zinc/42/02/73/616420273.db2.gz LMFMUACWLXKKFI-ZETCQYMHSA-N 0 1 253.214 0.310 20 5 CCBDMN COC(=O)[C@H]1[C@@H]2CN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C[C@@H]21 ZINC000816969514 616524582 /nfs/dbraw/zinc/52/45/82/616524582.db2.gz RMQFNLFVKZUZCD-JIGDXULJSA-N 0 1 294.267 0.117 20 5 CCBDMN COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840409407 616650518 /nfs/dbraw/zinc/65/05/18/616650518.db2.gz ISCRAOOLFRQGHG-VWMGYNLJSA-N 0 1 284.312 0.890 20 5 CCBDMN COC(=O)N(C)CCN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000855888478 616764557 /nfs/dbraw/zinc/76/45/57/616764557.db2.gz WHUFHURCMGFKOG-UHFFFAOYSA-N 0 1 299.287 0.397 20 5 CCBDMN COC[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839794428 616940794 /nfs/dbraw/zinc/94/07/94/616940794.db2.gz WSHMWJOYLMAAOM-GMTAPVOTSA-N 0 1 256.302 0.927 20 5 CCBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1=CCCC1 ZINC000974020947 625393830 /nfs/dbraw/zinc/39/38/30/625393830.db2.gz JAEFHKSULDOAMX-WRWGMCAJSA-N 0 1 293.323 0.525 20 5 CCBDMN O=C(NC[C@H]1COCCN1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000236070147 623461780 /nfs/dbraw/zinc/46/17/80/623461780.db2.gz ADWKNUAYTAJXOK-VIFPVBQESA-N 0 1 299.714 0.966 20 5 CCBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H]2CO)c1 ZINC000934027386 625003276 /nfs/dbraw/zinc/00/32/76/625003276.db2.gz UBZWRVLDLLQOFX-NEPJUHHUSA-N 0 1 282.296 0.401 20 5 CCBDMN O=[N+]([O-])CCNCc1ccccc1N1CCOCC1 ZINC000905063066 634794719 /nfs/dbraw/zinc/79/47/19/634794719.db2.gz RMXPMODEOAFLDP-UHFFFAOYSA-N 0 1 265.313 0.890 20 5 CCBDMN Cc1cccc(C)c1OC[C@H](O)CNCC[N+](=O)[O-] ZINC000899873434 633912248 /nfs/dbraw/zinc/91/22/48/633912248.db2.gz PBFGYHWADJUXNR-GFCCVEGCSA-N 0 1 268.313 0.909 20 5 CCBDMN O=C(Nc1ccc(Cn2cncn2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839512104 640316688 /nfs/dbraw/zinc/31/66/88/640316688.db2.gz IIXHGDXXIUKUKU-VXGBXAGGSA-N 0 1 287.279 0.930 20 5 CCBDMN Cc1[nH]nc2ncc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc12 ZINC000839574900 640344512 /nfs/dbraw/zinc/34/45/12/640344512.db2.gz JBOSHHFZMSOTQZ-RKDXNWHRSA-N 0 1 261.241 0.870 20 5 CCBDMN C[C@@H](N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(F)(F)F ZINC000839697955 640351506 /nfs/dbraw/zinc/35/15/06/640351506.db2.gz KPJMMFTVQVRICN-IWSPIJDZSA-N 0 1 295.261 0.747 20 5 CCBDMN O=C(NC[C@H](CO)Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839701181 640352066 /nfs/dbraw/zinc/35/20/66/640352066.db2.gz WZTMVEPXAVQAJE-JHJVBQTASA-N 0 1 278.308 0.619 20 5 CCBDMN O=C(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])OCc1ccccc1 ZINC000839705973 640355466 /nfs/dbraw/zinc/35/54/66/640355466.db2.gz QGHTUFSFLUGFAM-VXGBXAGGSA-N 0 1 292.291 0.901 20 5 CCBDMN Cn1nc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc21 ZINC000839728909 640358302 /nfs/dbraw/zinc/35/83/02/640358302.db2.gz RVCAFRLADYMSNG-ZWNOBZJWSA-N 0 1 288.307 0.897 20 5 CCBDMN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839763011 640359710 /nfs/dbraw/zinc/35/97/10/640359710.db2.gz IWJYDQRJFCMONY-WCTZXXKLSA-N 0 1 282.218 0.830 20 5 CCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000839749096 640361238 /nfs/dbraw/zinc/36/12/38/640361238.db2.gz NDZRDRKZUQKVTK-IANFPDNMSA-N 0 1 254.286 0.678 20 5 CCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000808751850 640877657 /nfs/dbraw/zinc/87/76/57/640877657.db2.gz NBUNKTRXBMVLBF-IACUBPJLSA-N 0 1 296.323 0.303 20 5 CCBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CC(C)(C)OC2=O)c1[N+](=O)[O-] ZINC000816728398 641202910 /nfs/dbraw/zinc/20/29/10/641202910.db2.gz ISQXHHFZJDSCQI-SSDOTTSWSA-N 0 1 296.283 0.792 20 5 CCBDMN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000819058569 641376969 /nfs/dbraw/zinc/37/69/69/641376969.db2.gz MRGHFBZSVRKBHL-JOYOIKCWSA-N 0 1 281.312 0.695 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1[C@@H]1CCCCC1=O ZINC000840402916 641495638 /nfs/dbraw/zinc/49/56/38/641495638.db2.gz GMNXPYVYWSZIRX-IRCOFANPSA-N 0 1 296.323 0.638 20 5 CCBDMN O=C(OCc1nc(C(F)F)no1)[C@@H]1CC1[N+](=O)[O-] ZINC000820747178 641531333 /nfs/dbraw/zinc/53/13/33/641531333.db2.gz DSXKZWXCBZJVLG-QWWZWVQMSA-N 0 1 263.156 0.716 20 5 CCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H](N2CCC2)C1 ZINC000826950377 641969758 /nfs/dbraw/zinc/96/97/58/641969758.db2.gz PTNBFTUDHUUNTQ-NSHDSACASA-N 0 1 293.327 0.406 20 5 CCBDMN Cc1ccsc1CNC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672261 642784868 /nfs/dbraw/zinc/78/48/68/642784868.db2.gz GKWIDSNXMZMHNK-RKDXNWHRSA-N 0 1 298.320 0.881 20 5 CCBDMN CCOCC(COCC)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842311258 642891141 /nfs/dbraw/zinc/89/11/41/642891141.db2.gz RRQPWALDGVEDBV-NXEZZACHSA-N 0 1 261.274 0.636 20 5 CCBDMN O=C(OCc1cc2n(n1)CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000843025720 642977135 /nfs/dbraw/zinc/97/71/35/642977135.db2.gz KXIUXYCQYMFLBB-GHMZBOCLSA-N 0 1 265.269 0.928 20 5 CCBDMN Cn1cnc([N+](=O)[O-])c1-c1noc(CNCC2CC2)n1 ZINC000843222844 643014875 /nfs/dbraw/zinc/01/48/75/643014875.db2.gz KZXLZESNWGWVMM-UHFFFAOYSA-N 0 1 278.272 0.878 20 5 CCBDMN C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000105855518 643303535 /nfs/dbraw/zinc/30/35/35/643303535.db2.gz LPFBAUITESJXHN-BXKDBHETSA-N 0 1 281.312 0.695 20 5 CCBDMN O=C1OCCN1[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000852434106 643963301 /nfs/dbraw/zinc/96/33/01/643963301.db2.gz WWRHYZHCLQXWBZ-SNVBAGLBSA-N 0 1 295.299 0.318 20 5 CCBDMN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C1(O)CNC1 ZINC000852853184 644023944 /nfs/dbraw/zinc/02/39/44/644023944.db2.gz VFJVHGFTJWIAFE-UHFFFAOYSA-N 0 1 285.687 0.199 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1NC(=O)CC12CCCCC2 ZINC000854449782 644204320 /nfs/dbraw/zinc/20/43/20/644204320.db2.gz AXAZBKDMAJRSNF-RKDXNWHRSA-N 0 1 267.285 0.618 20 5 CCBDMN O=C1OC[C@H]2C[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]12 ZINC000860166500 644778809 /nfs/dbraw/zinc/77/88/09/644778809.db2.gz LSEHVXMSULDUON-MWLCHTKSSA-N 0 1 278.264 0.905 20 5 CCBDMN O=C1OC[C@H]2C[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]12 ZINC000860166500 644778814 /nfs/dbraw/zinc/77/88/14/644778814.db2.gz LSEHVXMSULDUON-MWLCHTKSSA-N 0 1 278.264 0.905 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2c(O)cccc2C1 ZINC000863304088 645077282 /nfs/dbraw/zinc/07/72/82/645077282.db2.gz MZUWDJFELPFETQ-GHMZBOCLSA-N 0 1 262.265 0.942 20 5 CCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](C(F)(F)F)CC1 ZINC000874542467 646473112 /nfs/dbraw/zinc/47/31/12/646473112.db2.gz MUBMVXPAYJBPEU-BWZBUEFSSA-N 0 1 282.218 0.831 20 5 CCBDMN O=C(N[C@@H](c1ncccn1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000928572394 648654222 /nfs/dbraw/zinc/65/42/22/648654222.db2.gz BYTRWUFQACORLZ-OPRDCNLKSA-N 0 1 262.269 0.709 20 5 CCBDMN O=[N+]([O-])c1cccc(CN(C[C@H](O)CO)C2CC2)c1 ZINC000929852195 648804158 /nfs/dbraw/zinc/80/41/58/648804158.db2.gz HEZSTFQFBNDBJP-ZDUSSCGKSA-N 0 1 266.297 0.912 20 5 CCBDMN CN1CCO[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001164670287 719379733 /nfs/dbraw/zinc/37/97/33/719379733.db2.gz UDKNHRDSTJZCBL-QWRGUYRKSA-N 0 1 282.275 0.648 20 5 CCBDMN CC[C@@H](O)C(=O)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231259271 805764337 /nfs/dbraw/zinc/76/43/37/805764337.db2.gz IMGKCDXIRGSGIW-ZCFIWIBFSA-N 0 1 256.214 0.680 20 5 CCBDMN CCn1c(C[N+](=O)[O-])nnc1N1CCN(CC2CC2)CC1 ZINC001121792340 799068943 /nfs/dbraw/zinc/06/89/43/799068943.db2.gz URIXLTHZVQQGBJ-UHFFFAOYSA-N 0 1 294.359 0.607 20 5 CCBDMN CCOCC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001123014308 799336660 /nfs/dbraw/zinc/33/66/60/799336660.db2.gz MIDIMBGJBOAOOU-UHFFFAOYSA-N 0 1 287.341 0.899 20 5 CCBDMN O=[N+]([O-])c1ccnc(NCc2nnc3n2CCCNC3)c1 ZINC001155424515 800973431 /nfs/dbraw/zinc/97/34/31/800973431.db2.gz FHWSHUOQGWXHDL-UHFFFAOYSA-N 0 1 289.299 0.687 20 5 CCBDMN COC(=O)c1ccnc(N[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC001156581385 801191379 /nfs/dbraw/zinc/19/13/79/801191379.db2.gz ZMBYSIDLJSOPRC-QMMMGPOBSA-N 0 1 280.284 0.892 20 5 CCBDMN COc1nc(N2CCN3CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001158424782 801643916 /nfs/dbraw/zinc/64/39/16/801643916.db2.gz IWKWIYSKMLQVEV-QMMMGPOBSA-N 0 1 265.273 0.288 20 5 CCBDMN CN1CC(CNc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001159219699 801775803 /nfs/dbraw/zinc/77/58/03/801775803.db2.gz LVJWUIYMXMEODF-UHFFFAOYSA-N 0 1 272.692 0.855 20 5 CCBDMN COc1nc(C)c([N+](=O)[O-])c(-n2c(C)nnc2CN)n1 ZINC001163348662 802542153 /nfs/dbraw/zinc/54/21/53/802542153.db2.gz MISFAWAVBZMHAW-UHFFFAOYSA-N 0 1 279.260 0.050 20 5 CCBDMN COc1cnc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC001163933335 802635411 /nfs/dbraw/zinc/63/54/11/802635411.db2.gz GYVNYCCPSXCYFI-UHFFFAOYSA-N 0 1 252.274 0.749 20 5 CCBDMN O=c1[nH]c(C2CC2)nc(O[C@H]2C[C@@H](O)C2)c1[N+](=O)[O-] ZINC001218417929 803955075 /nfs/dbraw/zinc/95/50/75/803955075.db2.gz RQNITYHCLGQAIQ-KNVOCYPGSA-N 0 1 267.241 0.870 20 5 CCBDMN O=[N+]([O-])c1ccc(O)cc1O[C@H]1CCS(=O)(=O)C1 ZINC001225490774 805134220 /nfs/dbraw/zinc/13/42/20/805134220.db2.gz KFIKPGUGDAFHOG-QMMMGPOBSA-N 0 1 273.266 0.866 20 5 CCBDMN COC(=O)c1cc([N+](=O)[O-])c(OC[C@@H]2COCO2)cc1O ZINC001228812547 805481458 /nfs/dbraw/zinc/48/14/58/805481458.db2.gz XQIZUGIIBYHYDY-ZETCQYMHSA-N 0 1 299.235 0.839 20 5 CCBDMN O=c1[nH]c(=O)c(F)c(O[C@H](C[N+](=O)[O-])C2CC2)[nH]1 ZINC001229125304 805506024 /nfs/dbraw/zinc/50/60/24/805506024.db2.gz QPVZIXFJIGINTL-RXMQYKEDSA-N 0 1 259.193 0.461 20 5 CCBDMN CO[C@@H]1CC[N@@H+](CCOc2nc(C)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001229378330 805526398 /nfs/dbraw/zinc/52/63/98/805526398.db2.gz KEGDMNZRKWPNDN-SECBINFHSA-N 0 1 298.299 0.498 20 5 CCBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)C[C@@H]1CO ZINC001254542478 808257915 /nfs/dbraw/zinc/25/79/15/808257915.db2.gz OBEUCFWWYHRSBG-CYZMBNFOSA-N 0 1 280.324 0.953 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC001261261719 808943043 /nfs/dbraw/zinc/94/30/43/808943043.db2.gz ACWHWAUQGPOZMH-TXEJJXNPSA-N 0 1 292.339 0.995 20 5 CCBDMN O=C([C@@H]1CNCCO1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261458494 808983673 /nfs/dbraw/zinc/98/36/73/808983673.db2.gz AFJYJVOEJLCNLS-LBPRGKRZSA-N 0 1 277.280 0.425 20 5 CCBDMN C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C(=O)[O-] ZINC001261481660 808991789 /nfs/dbraw/zinc/99/17/89/808991789.db2.gz JNGNLSLRLRJWDV-NXEZZACHSA-N 0 1 282.300 0.834 20 5 CCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)OCc1nnc[nH]1 ZINC001261583073 809023748 /nfs/dbraw/zinc/02/37/48/809023748.db2.gz MZFZACROPRLHEE-UHFFFAOYSA-N 0 1 266.217 0.043 20 5 CCBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCNC[C@@H]1CO ZINC001263180265 809472495 /nfs/dbraw/zinc/47/24/95/809472495.db2.gz IBYSODNXAZQELF-LLVKDONJSA-N 0 1 265.269 0.001 20 5 CCBDMN COC[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC001263260527 809498550 /nfs/dbraw/zinc/49/85/50/809498550.db2.gz DUQZCLSDEFLBTJ-QMMMGPOBSA-N 0 1 269.257 0.248 20 5 CCBDMN COc1ccc([N+](=O)[O-])c(-n2c(C)ncc(CN)c2=N)n1 ZINC001167671308 811106017 /nfs/dbraw/zinc/10/60/17/811106017.db2.gz AEJSQNDFLKOQRX-UHFFFAOYSA-N 0 1 290.283 0.431 20 5 CCBDMN CNc1cc([N+](=O)[O-])cnc1-n1c(C)ncc(CN)c1=N ZINC001167671806 811114846 /nfs/dbraw/zinc/11/48/46/811114846.db2.gz BVNCHCULQBSNIN-UHFFFAOYSA-N 0 1 289.299 0.464 20 5 CCBDMN Cc1c(F)cnc(-n2c(C)ncc(CN)c2=N)c1[N+](=O)[O-] ZINC001167672658 811130186 /nfs/dbraw/zinc/13/01/86/811130186.db2.gz RNIUUJQCLXABRH-UHFFFAOYSA-N 0 1 292.274 0.870 20 5 CCBDMN C[C@@](CO)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(O)cc1 ZINC001143501246 811676678 /nfs/dbraw/zinc/67/66/78/811676678.db2.gz ZJBVGBJMSPZTKS-WZRBSPASSA-N 0 1 280.280 0.381 20 5 CCBDMN Cc1ncc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001030292075 815960805 /nfs/dbraw/zinc/96/08/05/815960805.db2.gz SHNVCJIHJPCDNY-GHMZBOCLSA-N 0 1 296.352 0.417 20 5 CCBDMN O=C(N[C@H]1CCC2(C1)OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC001127607980 817343197 /nfs/dbraw/zinc/34/31/97/817343197.db2.gz JILYDRYDVWFAOV-DJLDLDEBSA-N 0 1 256.258 0.063 20 5 CCBDMN Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CNCCO3)n2)n1C ZINC001118103066 819980012 /nfs/dbraw/zinc/98/00/12/819980012.db2.gz OORSUBSMUBXXHF-SSDOTTSWSA-N 0 1 294.271 0.348 20 5 CCBDMN CCc1n[nH]c(C(=O)N[C@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC001155894626 822274842 /nfs/dbraw/zinc/27/48/42/822274842.db2.gz WLIREMQZFHILHQ-APPZFPTMSA-N 0 1 281.316 0.703 20 5 CCBDMN NCc1nnnn1-c1cnc(Cl)cc1[N+](=O)[O-] ZINC001168920568 836053361 /nfs/dbraw/zinc/05/33/61/836053361.db2.gz IQQPVASIUSYKEG-UHFFFAOYSA-N 0 1 255.625 0.078 20 5 CCBDMN COC(=O)C1(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN(C)CC1 ZINC001168984318 836080160 /nfs/dbraw/zinc/08/01/60/836080160.db2.gz LYHXXLCKGMAGAG-RYUDHWBXSA-N 0 1 299.371 0.659 20 5 CCBDMN CS(=O)(=O)[C@@H]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037972 836111871 /nfs/dbraw/zinc/11/18/71/836111871.db2.gz UOHJAVVLEHROHY-GARJFASQSA-N 0 1 276.358 0.551 20 5 CCBDMN CN(C)C(=O)CN1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169023281 836115574 /nfs/dbraw/zinc/11/55/74/836115574.db2.gz DYIICKGHURTCEV-STQMWFEESA-N 0 1 298.387 0.138 20 5 CCBDMN COc1ccc(-n2c(C)cnc2CN)nc1[N+](=O)[O-] ZINC001169020904 836115676 /nfs/dbraw/zinc/11/56/76/836115676.db2.gz UABBHYIBYKVMFG-UHFFFAOYSA-N 0 1 263.257 0.951 20 5 CCBDMN CNC(=O)N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046776 836116739 /nfs/dbraw/zinc/11/67/39/836116739.db2.gz MUIXCVQZXCOVAI-MNOVXSKESA-N 0 1 270.333 0.389 20 5 CCBDMN COc1cc([N+](=O)[O-])cnc1NC[C@@H]1COCCN1 ZINC001170033409 836751729 /nfs/dbraw/zinc/75/17/29/836751729.db2.gz UYMPCVKBCLMJAH-MRVPVSSYSA-N 0 1 268.273 0.399 20 5 CCBDMN COc1nc(NC[C@H]2COCCN2)nc(C)c1[N+](=O)[O-] ZINC001170036233 836755921 /nfs/dbraw/zinc/75/59/21/836755921.db2.gz WDDLRGYJLXQTSY-QMMMGPOBSA-N 0 1 283.288 0.102 20 5 CCBDMN NCc1nnnn1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001158074761 837911958 /nfs/dbraw/zinc/91/19/58/837911958.db2.gz KMVIXSFFWHGUHC-UHFFFAOYSA-N 0 1 271.240 0.577 20 5 CCBDMN Cc1c(NC(=O)CCc2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001135304982 839203059 /nfs/dbraw/zinc/20/30/59/839203059.db2.gz ZZWISQRUTDLCGR-UHFFFAOYSA-N 0 1 276.256 0.988 20 5 CCBDMN CC[C@](N)(CO)Nc1ncc([N+](=O)[O-])cc1OC ZINC001170854502 839422028 /nfs/dbraw/zinc/42/20/28/839422028.db2.gz DOSZLZXAUXAGPC-SNVBAGLBSA-N 0 1 256.262 0.468 20 5 CCBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CN(C)CCN1C ZINC001136874809 839794405 /nfs/dbraw/zinc/79/44/05/839794405.db2.gz TZYZIHSIRPHETJ-SKDRFNHKSA-N 0 1 295.343 0.287 20 5 CCBDMN O=C(Cc1nnc[nH]1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001093856593 841470835 /nfs/dbraw/zinc/47/08/35/841470835.db2.gz YCOYIEGHRNAVMU-UHFFFAOYSA-N 0 1 290.283 0.484 20 5 CCBDMN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2cnn[nH]2)c1 ZINC001094242841 841568585 /nfs/dbraw/zinc/56/85/85/841568585.db2.gz IPHLZRUPJPJVDU-UHFFFAOYSA-N 0 1 290.283 0.863 20 5 CCBDMN CC(C)n1cnc(NC(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC001326726770 914119369 /nfs/dbraw/zinc/11/93/69/914119369.db2.gz OCFMDSCGVKIJPO-UHFFFAOYSA-N 0 1 279.260 0.753 20 5 CCBDMN CC(=O)NC1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001128001145 897735538 /nfs/dbraw/zinc/73/55/38/897735538.db2.gz RVCRUUDWEFZOFZ-KIDURHIOSA-N 0 1 283.328 0.557 20 5 CCBDMN CCn1cccc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491282730 903486482 /nfs/dbraw/zinc/48/64/82/903486482.db2.gz LCTLOSXEEQBLES-MWLCHTKSSA-N 0 1 294.311 0.019 20 5 CCBDMN CCC(=O)NCCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001281501653 904297117 /nfs/dbraw/zinc/29/71/17/904297117.db2.gz XVFXPRAFCJYHBL-VXGBXAGGSA-N 0 1 295.339 0.727 20 5 CCBDMN CC(C)CCC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284951415 905505620 /nfs/dbraw/zinc/50/56/20/905505620.db2.gz UUMWWILKDDNDKD-VXGBXAGGSA-N 0 1 297.355 0.662 20 5 CCBDMN CC1(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001292718361 906331470 /nfs/dbraw/zinc/33/14/70/906331470.db2.gz OSRYRTUNPLQBFS-GHMZBOCLSA-N 0 1 297.355 0.854 20 5 CCBDMN Cc1[nH]nc(C(=O)N2CCSC[C@@H]2CO)c1[N+](=O)[O-] ZINC001295202160 906696674 /nfs/dbraw/zinc/69/66/74/906696674.db2.gz WNSKOYKPIKOZLI-ZETCQYMHSA-N 0 1 286.313 0.176 20 5 CCBDMN CS(=O)(=O)CCNCCNc1ccc([N+](=O)[O-])cc1 ZINC001338418432 921460461 /nfs/dbraw/zinc/46/04/61/921460461.db2.gz NRVVHKFLOYIPFD-UHFFFAOYSA-N 0 1 287.341 0.641 20 5 CCBDMN CC(C)CC(=O)N(C)CCNCc1c([N+](=O)[O-])ncn1C ZINC001317562837 909338559 /nfs/dbraw/zinc/33/85/59/909338559.db2.gz JNGDCYCJGQSQMP-UHFFFAOYSA-N 0 1 297.359 0.922 20 5 CCBDMN CCN1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)C[C@@H]1C ZINC001338834291 921588365 /nfs/dbraw/zinc/58/83/65/921588365.db2.gz YCWFHNHJKMZGTI-VHSXEESVSA-N 0 1 282.348 0.683 20 5 CCBDMN C[C@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ncnn21 ZINC001328376316 915149533 /nfs/dbraw/zinc/14/95/33/915149533.db2.gz WGFPSODTTZCPLZ-NTSWFWBYSA-N 0 1 277.244 0.345 20 5 CCBDMN O=C([O-])[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C1CC1 ZINC001328783404 915431495 /nfs/dbraw/zinc/43/14/95/915431495.db2.gz MMWNWRDKGNVGHU-NWDGAFQWSA-N 0 1 294.311 0.834 20 5 CCBDMN Cc1cncc([N+](=O)[O-])c1N[C@@H](C)[C@H]1CN(C)CCN1C ZINC001339814666 921839434 /nfs/dbraw/zinc/83/94/34/921839434.db2.gz FRQVEABBOXOTFQ-WCQYABFASA-N 0 1 293.371 0.766 20 5 CCBDMN O=C(N[C@@H]1CCn2ccnc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC001343109740 923205549 /nfs/dbraw/zinc/20/55/49/923205549.db2.gz MXWJIWWBYZGYIF-SSDOTTSWSA-N 0 1 276.256 0.259 20 5 CCBDMN O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1[n-]ncc1[N+](=O)[O-] ZINC001343109740 923205559 /nfs/dbraw/zinc/20/55/59/923205559.db2.gz MXWJIWWBYZGYIF-SSDOTTSWSA-N 0 1 276.256 0.259 20 5 CCBDMN C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(=O)[O-] ZINC001345945102 924020654 /nfs/dbraw/zinc/02/06/54/924020654.db2.gz RHXLZTJEPYIXRH-MWLCHTKSSA-N 0 1 282.300 0.834 20 5 CCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CCC1 ZINC001351465949 925422500 /nfs/dbraw/zinc/42/25/00/925422500.db2.gz FZSYIWDCYXYUIB-GHMZBOCLSA-N 0 1 283.328 0.416 20 5 CCBDMN CC(C)(C)CC(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001357577988 926562751 /nfs/dbraw/zinc/56/27/51/926562751.db2.gz GOYQYNKQFYDZKG-WQMVXFAESA-N 0 1 297.355 0.876 20 5 CCBDMN C[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001589355840 954141427 /nfs/dbraw/zinc/14/14/27/954141427.db2.gz VSKXGQVBJUGTBP-DTWKUNHWSA-N 0 1 268.273 0.791 20 5 CCBDMN C[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001589355840 954141429 /nfs/dbraw/zinc/14/14/29/954141429.db2.gz VSKXGQVBJUGTBP-DTWKUNHWSA-N 0 1 268.273 0.791 20 5 CCBDMN C[C@](CC(=O)[O-])([NH2+]CC[N+](=O)[O-])c1ccccn1 ZINC001592317509 977699251 /nfs/dbraw/zinc/69/92/51/977699251.db2.gz KVCMIIFZZPGMBI-LLVKDONJSA-N 0 1 253.258 0.638 20 5 CCBDMN C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H](C(=O)[O-])C1 ZINC001598625389 994082813 /nfs/dbraw/zinc/08/28/13/994082813.db2.gz LGCGLJVAEMEOJQ-QMMMGPOBSA-N 0 1 298.274 0.582 20 5 CCBDMN