smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000103477784 543110974 /nfs/dbraw/zinc/11/09/74/543110974.db2.gz FKWBGJOCKPFVJW-UONOGXRCSA-N 1 1 372.429 2.413 10 5 FEBEMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000103477784 543110976 /nfs/dbraw/zinc/11/09/76/543110976.db2.gz FKWBGJOCKPFVJW-UONOGXRCSA-N 1 1 372.429 2.413 10 5 FEBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000106097851 543195607 /nfs/dbraw/zinc/19/56/07/543195607.db2.gz NLRHFIFUIWRKTB-HUUCEWRRSA-N 1 1 351.447 2.269 10 5 FEBEMO O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000106204697 543218523 /nfs/dbraw/zinc/21/85/23/543218523.db2.gz PAWIPLSREACUFA-LJQANCHMSA-N 1 1 371.437 2.152 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000117433727 543631402 /nfs/dbraw/zinc/63/14/02/543631402.db2.gz XXWDZHCLRMTDPB-AWEZNQCLSA-N 1 1 350.419 2.478 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000117433727 543631405 /nfs/dbraw/zinc/63/14/05/543631405.db2.gz XXWDZHCLRMTDPB-AWEZNQCLSA-N 1 1 350.419 2.478 10 5 FEBEMO CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000150795862 544472613 /nfs/dbraw/zinc/47/26/13/544472613.db2.gz ZHSBJZBHWCGZLH-GWCFXTLKSA-N 1 1 368.821 2.032 10 5 FEBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000175035464 327369614 /nfs/dbraw/zinc/36/96/14/327369614.db2.gz VJYPRQLTHQTKBF-WMLDXEAASA-N 1 1 369.425 2.479 10 5 FEBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000177203969 546569707 /nfs/dbraw/zinc/56/97/07/546569707.db2.gz ABUFGFVNKSKCOU-HIFRSBDPSA-N 1 1 357.414 2.239 10 5 FEBEMO CCOC(=O)c1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000195044265 548568351 /nfs/dbraw/zinc/56/83/51/548568351.db2.gz QKNJZFNQAYXGRH-HNNXBMFYSA-N 1 1 361.398 2.082 10 5 FEBEMO CCOC(=O)c1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000195044265 548568354 /nfs/dbraw/zinc/56/83/54/548568354.db2.gz QKNJZFNQAYXGRH-HNNXBMFYSA-N 1 1 361.398 2.082 10 5 FEBEMO CC[C@@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000248621524 549469662 /nfs/dbraw/zinc/46/96/62/549469662.db2.gz LNQGBXFOUXFRQB-GXTWGEPZSA-N 1 1 355.410 2.020 10 5 FEBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248821322 549506647 /nfs/dbraw/zinc/50/66/47/549506647.db2.gz LJQASDPDGLBYRR-ZMSDIMECSA-N 1 1 363.458 2.077 10 5 FEBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248821322 549506649 /nfs/dbraw/zinc/50/66/49/549506649.db2.gz LJQASDPDGLBYRR-ZMSDIMECSA-N 1 1 363.458 2.077 10 5 FEBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000248028533 672853823 /nfs/dbraw/zinc/85/38/23/672853823.db2.gz JXOFOWNETPTHAJ-STQMWFEESA-N 1 1 371.434 2.290 10 5 FEBEMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cn3cncn3)C2)cccc1[N+](=O)[O-] ZINC000106173389 543212505 /nfs/dbraw/zinc/21/25/05/543212505.db2.gz NGWBAOFGNRFOON-GJZGRUSLSA-N 1 1 372.429 2.234 10 5 FEBEMO Cc1cnn([C@@H]2CCC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)c1 ZINC000106222786 543220223 /nfs/dbraw/zinc/22/02/23/543220223.db2.gz XOLKPKOGJNSABI-QGZVFWFLSA-N 1 1 369.425 2.326 10 5 FEBEMO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)c1 ZINC000106222786 543220226 /nfs/dbraw/zinc/22/02/26/543220226.db2.gz XOLKPKOGJNSABI-QGZVFWFLSA-N 1 1 369.425 2.326 10 5 FEBEMO CCOCC[N@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1CC ZINC000110560579 543361126 /nfs/dbraw/zinc/36/11/26/543361126.db2.gz LDGCJESVRUXBLN-LBPRGKRZSA-N 1 1 353.448 2.241 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000117277931 543626141 /nfs/dbraw/zinc/62/61/41/543626141.db2.gz IMLFCEIDMBRCAV-GFCCVEGCSA-N 1 1 355.822 2.431 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000117277931 543626144 /nfs/dbraw/zinc/62/61/44/543626144.db2.gz IMLFCEIDMBRCAV-GFCCVEGCSA-N 1 1 355.822 2.431 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000135462022 544347925 /nfs/dbraw/zinc/34/79/25/544347925.db2.gz JBJKYOFSPOLHRC-LBPRGKRZSA-N 1 1 355.822 2.431 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000135462022 544347926 /nfs/dbraw/zinc/34/79/26/544347926.db2.gz JBJKYOFSPOLHRC-LBPRGKRZSA-N 1 1 355.822 2.431 10 5 FEBEMO Cn1nccc1C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000109131718 325659938 /nfs/dbraw/zinc/65/99/38/325659938.db2.gz WZSVHYRNOPDCSA-SFHVURJKSA-N 1 1 369.425 2.313 10 5 FEBEMO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000172756674 327217200 /nfs/dbraw/zinc/21/72/00/327217200.db2.gz CIRLVEGARVQWJB-KRWDZBQOSA-N 1 1 371.437 2.465 10 5 FEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000177039628 546529136 /nfs/dbraw/zinc/52/91/36/546529136.db2.gz PBBRBRDKQSDBIT-GFCCVEGCSA-N 1 1 351.403 2.168 10 5 FEBEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177701427 546669749 /nfs/dbraw/zinc/66/97/49/546669749.db2.gz UETIFTRSVRNVBK-UONOGXRCSA-N 1 1 364.446 2.347 10 5 FEBEMO Cc1cnn([C@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000182240088 547459018 /nfs/dbraw/zinc/45/90/18/547459018.db2.gz PTQQEINJZKVZBE-HOTGVXAUSA-N 1 1 360.414 2.177 10 5 FEBEMO COc1cccc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000185365249 547975080 /nfs/dbraw/zinc/97/50/80/547975080.db2.gz RPHLXSDMJXTTTA-KRWDZBQOSA-N 1 1 357.410 2.459 10 5 FEBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195278952 548610317 /nfs/dbraw/zinc/61/03/17/548610317.db2.gz FSBHERBHLTVSTC-XLIONFOSSA-N 1 1 370.453 2.477 10 5 FEBEMO CN(Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195278952 548610323 /nfs/dbraw/zinc/61/03/23/548610323.db2.gz FSBHERBHLTVSTC-XLIONFOSSA-N 1 1 370.453 2.477 10 5 FEBEMO CN(Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195278952 548610329 /nfs/dbraw/zinc/61/03/29/548610329.db2.gz FSBHERBHLTVSTC-XLIONFOSSA-N 1 1 370.453 2.477 10 5 FEBEMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246360891 549113657 /nfs/dbraw/zinc/11/36/57/549113657.db2.gz XHVBKNPKEYTMJF-DLBZAZTESA-N 1 1 357.414 2.019 10 5 FEBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173831632 672355039 /nfs/dbraw/zinc/35/50/39/672355039.db2.gz SEPPOFKSDRPTNR-QWHCGFSZSA-N 1 1 373.862 2.496 10 5 FEBEMO Cc1ccc(S(=O)(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000030499658 539882911 /nfs/dbraw/zinc/88/29/11/539882911.db2.gz FDCHBPJAMRGVGE-MRXNPFEDSA-N 1 1 363.439 2.484 10 5 FEBEMO C[NH+]1CCN(c2ccc3nc(-c4ccc(N)c([N+](=O)[O-])c4)[nH]c3c2)CC1 ZINC000034190202 539977069 /nfs/dbraw/zinc/97/70/69/539977069.db2.gz OPDPHVPWVJKBIO-UHFFFAOYSA-N 1 1 352.398 2.472 10 5 FEBEMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)n2)c1 ZINC000106172731 543211842 /nfs/dbraw/zinc/21/18/42/543211842.db2.gz MRWMYCHLZDTWHG-ZDUSSCGKSA-N 1 1 369.385 2.149 10 5 FEBEMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](Cn4cncn4)C3)n2)c1 ZINC000106172731 543211844 /nfs/dbraw/zinc/21/18/44/543211844.db2.gz MRWMYCHLZDTWHG-ZDUSSCGKSA-N 1 1 369.385 2.149 10 5 FEBEMO O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)cc1 ZINC000106204700 543218794 /nfs/dbraw/zinc/21/87/94/543218794.db2.gz PAWIPLSREACUFA-IBGZPJMESA-N 1 1 371.437 2.152 10 5 FEBEMO O=C1[C@H]([NH+]2CCC(c3cc[nH]n3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131730 543315298 /nfs/dbraw/zinc/31/52/98/543315298.db2.gz SZUQTMHAJIGKIH-QGZVFWFLSA-N 1 1 355.398 2.303 10 5 FEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000113306202 543484006 /nfs/dbraw/zinc/48/40/06/543484006.db2.gz JVJANFYGKBJNGL-CMPLNLGQSA-N 1 1 359.835 2.105 10 5 FEBEMO CC(C)C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000126073770 543916204 /nfs/dbraw/zinc/91/62/04/543916204.db2.gz LEJJWTSIHLCXEF-CYBMUJFWSA-N 1 1 355.460 2.388 10 5 FEBEMO CNS(=O)(=O)c1ccc(NC[C@H]2CCC[N@H+]2CC(C)C)c([N+](=O)[O-])c1 ZINC000131426038 544189874 /nfs/dbraw/zinc/18/98/74/544189874.db2.gz OYGMGPUSAWONAP-CYBMUJFWSA-N 1 1 370.475 2.035 10 5 FEBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000184766233 327882535 /nfs/dbraw/zinc/88/25/35/327882535.db2.gz FBHBMYJTFSFQKI-AEFFLSMTSA-N 1 1 363.458 2.079 10 5 FEBEMO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000090563818 325363999 /nfs/dbraw/zinc/36/39/99/325363999.db2.gz HTJZFKFZBSHYLT-IRXDYDNUSA-N 1 1 364.446 2.456 10 5 FEBEMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H](O)COCc3ccccc3)C2)nc1 ZINC000122275068 326390665 /nfs/dbraw/zinc/39/06/65/326390665.db2.gz GOSJQCQGXOQILC-FUHWJXTLSA-N 1 1 372.425 2.054 10 5 FEBEMO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[N@H+]1C[C@@H](C)O ZINC000162577852 327028894 /nfs/dbraw/zinc/02/88/94/327028894.db2.gz LJGFGERNWZNBLB-KGLIPLIRSA-N 1 1 350.419 2.212 10 5 FEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000177028099 546526490 /nfs/dbraw/zinc/52/64/90/546526490.db2.gz QGJSIYWYYJZZHY-MRXNPFEDSA-N 1 1 372.429 2.040 10 5 FEBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000182227779 547456831 /nfs/dbraw/zinc/45/68/31/547456831.db2.gz FKUCNAUIRRWRGC-HZPDHXFCSA-N 1 1 372.425 2.164 10 5 FEBEMO O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000195504922 548650755 /nfs/dbraw/zinc/65/07/55/548650755.db2.gz OJPCONUTHCTPCK-UHFFFAOYSA-N 1 1 355.398 2.087 10 5 FEBEMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000246904871 549239450 /nfs/dbraw/zinc/23/94/50/549239450.db2.gz HCSANKXBZXJSDU-CHWSQXEVSA-N 1 1 373.413 2.153 10 5 FEBEMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000246904871 549239451 /nfs/dbraw/zinc/23/94/51/549239451.db2.gz HCSANKXBZXJSDU-CHWSQXEVSA-N 1 1 373.413 2.153 10 5 FEBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000248544044 549454919 /nfs/dbraw/zinc/45/49/19/549454919.db2.gz CVZVZCIJPVMPQE-OCCSQVGLSA-N 1 1 350.394 2.231 10 5 FEBEMO CCc1[nH+]ccn1[C@H]1CCCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000276736222 550590365 /nfs/dbraw/zinc/59/03/65/550590365.db2.gz FWLPWIFXHYLSHL-ZDUSSCGKSA-N 1 1 359.386 2.377 10 5 FEBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000173886480 672355299 /nfs/dbraw/zinc/35/52/99/672355299.db2.gz VKMPIYYRTLNIRG-PWSUYJOCSA-N 1 1 361.851 2.255 10 5 FEBEMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000175395130 672368192 /nfs/dbraw/zinc/36/81/92/672368192.db2.gz AQOZKMQCBPDHQT-LBPRGKRZSA-N 1 1 361.851 2.353 10 5 FEBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000247462552 672850419 /nfs/dbraw/zinc/85/04/19/672850419.db2.gz QYAAYKVVISRKRZ-AAEUAGOBSA-N 1 1 352.822 2.355 10 5 FEBEMO CCOCC[N@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000106110495 543199613 /nfs/dbraw/zinc/19/96/13/543199613.db2.gz VVXFDCFACVLATO-INIZCTEOSA-N 1 1 351.447 2.406 10 5 FEBEMO CCOCCN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000106110495 543199614 /nfs/dbraw/zinc/19/96/14/543199614.db2.gz VVXFDCFACVLATO-INIZCTEOSA-N 1 1 351.447 2.406 10 5 FEBEMO CCOCCN1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000106110495 543199616 /nfs/dbraw/zinc/19/96/16/543199616.db2.gz VVXFDCFACVLATO-INIZCTEOSA-N 1 1 351.447 2.406 10 5 FEBEMO O=[N+]([O-])c1ccc(CC[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)cc1 ZINC000106096139 543195217 /nfs/dbraw/zinc/19/52/17/543195217.db2.gz UBPUMIFWQLDWTO-FQEVSTJZSA-N 1 1 355.438 2.489 10 5 FEBEMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(CCn2cccn2)CC1 ZINC000106128961 543205791 /nfs/dbraw/zinc/20/57/91/543205791.db2.gz SHYYAISAKHPDED-UHFFFAOYSA-N 1 1 373.457 2.267 10 5 FEBEMO Cc1nn(C)c(C)c1C[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000106142362 543207661 /nfs/dbraw/zinc/20/76/61/543207661.db2.gz BTGHBIAPZLJSDF-UHFFFAOYSA-N 1 1 373.457 2.142 10 5 FEBEMO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000106157047 543210430 /nfs/dbraw/zinc/21/04/30/543210430.db2.gz DHNPOKFCPAKASI-UHFFFAOYSA-N 1 1 359.430 2.045 10 5 FEBEMO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000106157047 543210433 /nfs/dbraw/zinc/21/04/33/543210433.db2.gz DHNPOKFCPAKASI-UHFFFAOYSA-N 1 1 359.430 2.045 10 5 FEBEMO CCOCC[N@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1CC ZINC000106116813 543202250 /nfs/dbraw/zinc/20/22/50/543202250.db2.gz BVATZZOZKNTELJ-INIZCTEOSA-N 1 1 351.447 2.406 10 5 FEBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000106208679 543218018 /nfs/dbraw/zinc/21/80/18/543218018.db2.gz MHIDTQDUFDMESF-OAHLLOKOSA-N 1 1 357.414 2.381 10 5 FEBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000106208679 543218020 /nfs/dbraw/zinc/21/80/20/543218020.db2.gz MHIDTQDUFDMESF-OAHLLOKOSA-N 1 1 357.414 2.381 10 5 FEBEMO CC[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1CCOC ZINC000110560556 543361244 /nfs/dbraw/zinc/36/12/44/543361244.db2.gz PTMUHUWIWZFKPE-CQSZACIVSA-N 1 1 362.430 2.027 10 5 FEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000113270118 543481081 /nfs/dbraw/zinc/48/10/81/543481081.db2.gz PZJZQRPXPXTNFY-WCQYABFASA-N 1 1 352.822 2.355 10 5 FEBEMO Cn1cc([C@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)cn1 ZINC000128660845 544065053 /nfs/dbraw/zinc/06/50/53/544065053.db2.gz HDNSFTAIDXAIDP-LBPRGKRZSA-N 1 1 361.377 2.286 10 5 FEBEMO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000135681355 544358952 /nfs/dbraw/zinc/35/89/52/544358952.db2.gz VGCZMIGLZZJWTG-AWEZNQCLSA-N 1 1 355.398 2.091 10 5 FEBEMO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000135681355 544358954 /nfs/dbraw/zinc/35/89/54/544358954.db2.gz VGCZMIGLZZJWTG-AWEZNQCLSA-N 1 1 355.398 2.091 10 5 FEBEMO Cc1c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000247530148 549351584 /nfs/dbraw/zinc/35/15/84/549351584.db2.gz XKTNXDDSPGIQCS-ZWNOBZJWSA-N 1 1 362.386 2.429 10 5 FEBEMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1SC ZINC000171480372 327142037 /nfs/dbraw/zinc/14/20/37/327142037.db2.gz GSMHEMFUZNRUCG-LLVKDONJSA-N 1 1 351.428 2.246 10 5 FEBEMO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000171770660 327160617 /nfs/dbraw/zinc/16/06/17/327160617.db2.gz ZFBMVXVSLSJOOB-LLVKDONJSA-N 1 1 359.835 2.025 10 5 FEBEMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1C ZINC000173884033 327291583 /nfs/dbraw/zinc/29/15/83/327291583.db2.gz HBERFADJPQEAFA-UONOGXRCSA-N 1 1 355.460 2.219 10 5 FEBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000175036792 327369857 /nfs/dbraw/zinc/36/98/57/327369857.db2.gz WNZNYMHNPNKKTJ-CRAIPNDOSA-N 1 1 369.425 2.479 10 5 FEBEMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000160302323 546028445 /nfs/dbraw/zinc/02/84/45/546028445.db2.gz MPXACGZHIZTFTM-CYBMUJFWSA-N 1 1 371.459 2.002 10 5 FEBEMO CC[N@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000177694823 546668797 /nfs/dbraw/zinc/66/87/97/546668797.db2.gz WQQBOXGKTZEYHN-HNNXBMFYSA-N 1 1 364.446 2.348 10 5 FEBEMO CCN1CCC[C@H]1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000177694823 546668802 /nfs/dbraw/zinc/66/88/02/546668802.db2.gz WQQBOXGKTZEYHN-HNNXBMFYSA-N 1 1 364.446 2.348 10 5 FEBEMO CCN1CCC[C@H]1C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000177694823 546668805 /nfs/dbraw/zinc/66/88/05/546668805.db2.gz WQQBOXGKTZEYHN-HNNXBMFYSA-N 1 1 364.446 2.348 10 5 FEBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000184826159 547883970 /nfs/dbraw/zinc/88/39/70/547883970.db2.gz LJQASDPDGLBYRR-BFYDXBDKSA-N 1 1 363.458 2.077 10 5 FEBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000184826159 547883974 /nfs/dbraw/zinc/88/39/74/547883974.db2.gz LJQASDPDGLBYRR-BFYDXBDKSA-N 1 1 363.458 2.077 10 5 FEBEMO COc1cccc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000185365267 547975319 /nfs/dbraw/zinc/97/53/19/547975319.db2.gz RPHLXSDMJXTTTA-QGZVFWFLSA-N 1 1 357.410 2.459 10 5 FEBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503620 548650646 /nfs/dbraw/zinc/65/06/46/548650646.db2.gz MEQCUZFKDDCODP-UHFFFAOYSA-N 1 1 357.414 2.455 10 5 FEBEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000245638853 548962482 /nfs/dbraw/zinc/96/24/82/548962482.db2.gz APXABNLNLVNCAN-DZGCQCFKSA-N 1 1 357.414 2.239 10 5 FEBEMO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C[C@H](C)O ZINC000245735650 548985190 /nfs/dbraw/zinc/98/51/90/548985190.db2.gz KRUQOFVBIZRZBS-GXTWGEPZSA-N 1 1 373.400 2.473 10 5 FEBEMO CCOc1ccc(NC(=O)CN2CC[N@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248325217 549418678 /nfs/dbraw/zinc/41/86/78/549418678.db2.gz BCXJMYJUZWCMPX-AWEZNQCLSA-N 1 1 362.430 2.102 10 5 FEBEMO CC[C@H]1CN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000249136375 549558201 /nfs/dbraw/zinc/55/82/01/549558201.db2.gz NZIUQTDNLBHBAG-STQMWFEESA-N 1 1 367.471 2.234 10 5 FEBEMO CC[C@H]1CN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000249136375 549558204 /nfs/dbraw/zinc/55/82/04/549558204.db2.gz NZIUQTDNLBHBAG-STQMWFEESA-N 1 1 367.471 2.234 10 5 FEBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173831618 672354956 /nfs/dbraw/zinc/35/49/56/672354956.db2.gz SEPPOFKSDRPTNR-CHWSQXEVSA-N 1 1 373.862 2.496 10 5 FEBEMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000030499245 539882716 /nfs/dbraw/zinc/88/27/16/539882716.db2.gz CANCPOZWWJROBK-MRXNPFEDSA-N 1 1 363.439 2.484 10 5 FEBEMO Cc1cnn(C[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000106194330 543215886 /nfs/dbraw/zinc/21/58/86/543215886.db2.gz MCLPCQGUWSFCIJ-SFHVURJKSA-N 1 1 360.414 2.270 10 5 FEBEMO Cc1cnn(C[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000106194330 543215889 /nfs/dbraw/zinc/21/58/89/543215889.db2.gz MCLPCQGUWSFCIJ-SFHVURJKSA-N 1 1 360.414 2.270 10 5 FEBEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000181921672 327753102 /nfs/dbraw/zinc/75/31/02/327753102.db2.gz HCTMLJQBUZJFPS-HOCLYGCPSA-N 1 1 364.446 2.062 10 5 FEBEMO CCCn1cc(C[N@H+]2CCCN(c3cc(N)ccc3[N+](=O)[O-])CC2)cn1 ZINC000193413536 328374171 /nfs/dbraw/zinc/37/41/71/328374171.db2.gz AWFARAACNCSZDW-UHFFFAOYSA-N 1 1 358.446 2.496 10 5 FEBEMO CC[C@H](NC(=O)NC[C@@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090588122 325364417 /nfs/dbraw/zinc/36/44/17/325364417.db2.gz VETQVOMUUVQFPL-PBHICJAKSA-N 1 1 364.446 2.313 10 5 FEBEMO Cn1cc([C@@H]2CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cn1 ZINC000116313236 326005327 /nfs/dbraw/zinc/00/53/27/326005327.db2.gz CIYGOIURBQXXNI-CYBMUJFWSA-N 1 1 354.370 2.368 10 5 FEBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000119539170 326173550 /nfs/dbraw/zinc/17/35/50/326173550.db2.gz REETZJAPERCDPC-CQSZACIVSA-N 1 1 372.425 2.287 10 5 FEBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000173741160 327280619 /nfs/dbraw/zinc/28/06/19/327280619.db2.gz VLGNBLGACZEEMY-NSHDSACASA-N 1 1 356.429 2.015 10 5 FEBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000175041648 327370120 /nfs/dbraw/zinc/37/01/20/327370120.db2.gz ACKQINMLOFRJGI-UONOGXRCSA-N 1 1 362.430 2.101 10 5 FEBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000175041630 327370209 /nfs/dbraw/zinc/37/02/09/327370209.db2.gz ACKQINMLOFRJGI-ZIAGYGMSSA-N 1 1 362.430 2.101 10 5 FEBEMO Cc1cnn([C@H]2CCC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000247564811 549358523 /nfs/dbraw/zinc/35/85/23/549358523.db2.gz GKSOIRQEKWFYTN-DLBZAZTESA-N 1 1 360.414 2.177 10 5 FEBEMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1OC ZINC000155484462 545532273 /nfs/dbraw/zinc/53/22/73/545532273.db2.gz TVIAWXWNTVSNGG-GXTWGEPZSA-N 1 1 365.430 2.461 10 5 FEBEMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160305298 546028548 /nfs/dbraw/zinc/02/85/48/546028548.db2.gz LCOKVTVQLMMWEJ-CQSZACIVSA-N 1 1 371.459 2.002 10 5 FEBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177754523 546681265 /nfs/dbraw/zinc/68/12/65/546681265.db2.gz CAOLZIFHUSJFHK-OAHLLOKOSA-N 1 1 362.430 2.102 10 5 FEBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000177754523 546681269 /nfs/dbraw/zinc/68/12/69/546681269.db2.gz CAOLZIFHUSJFHK-OAHLLOKOSA-N 1 1 362.430 2.102 10 5 FEBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000177754523 546681272 /nfs/dbraw/zinc/68/12/72/546681272.db2.gz CAOLZIFHUSJFHK-OAHLLOKOSA-N 1 1 362.430 2.102 10 5 FEBEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000181920665 547404975 /nfs/dbraw/zinc/40/49/75/547404975.db2.gz URTACQVLHHIGRE-IRXDYDNUSA-N 1 1 364.446 2.144 10 5 FEBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182305782 547470959 /nfs/dbraw/zinc/47/09/59/547470959.db2.gz FJZKCVONUYKBNF-CYBMUJFWSA-N 1 1 358.354 2.133 10 5 FEBEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000247012025 549263825 /nfs/dbraw/zinc/26/38/25/549263825.db2.gz HDYDWEPPLVWCFR-SUMWQHHRSA-N 1 1 357.414 2.239 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000248539059 549455138 /nfs/dbraw/zinc/45/51/38/549455138.db2.gz ATPXETVZMIRTPX-ZIAGYGMSSA-N 1 1 367.421 2.407 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000248539059 549455141 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CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175006551 327367542 /nfs/dbraw/zinc/36/75/42/327367542.db2.gz RGKGYUMYMPVYIJ-RHSMWYFYSA-N 1 1 369.425 2.479 10 5 FEBEMO Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000178295251 546770205 /nfs/dbraw/zinc/77/02/05/546770205.db2.gz WRYVWPAGGPZHLW-IRXDYDNUSA-N 1 1 360.414 2.004 10 5 FEBEMO C[NH+](C)C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184139327 547775793 /nfs/dbraw/zinc/77/57/93/547775793.db2.gz FHTBSDXMHATVAB-INIZCTEOSA-N 1 1 363.439 2.317 10 5 FEBEMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C[C@H](C)O ZINC000245794717 548996044 /nfs/dbraw/zinc/99/60/44/548996044.db2.gz YCBACCJFQDXCDH-KBPBESRZSA-N 1 1 372.425 2.060 10 5 FEBEMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246209083 549078764 /nfs/dbraw/zinc/07/87/64/549078764.db2.gz AGSVNRJJUFXDNK-AAEUAGOBSA-N 1 1 352.822 2.355 10 5 FEBEMO 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CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+]1C[C@@H](C)O ZINC000174733340 327346724 /nfs/dbraw/zinc/34/67/24/327346724.db2.gz PNZSXFSATBIODT-VXGBXAGGSA-N 1 1 359.373 2.478 10 5 FEBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000177977326 327556461 /nfs/dbraw/zinc/55/64/61/327556461.db2.gz FMGTZHTVJXTBGZ-HNNXBMFYSA-N 1 1 371.397 2.038 10 5 FEBEMO CC[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000168629880 546159336 /nfs/dbraw/zinc/15/93/36/546159336.db2.gz QDUJEMMHNWJYIZ-JTQLQIEISA-N 1 1 359.224 2.193 10 5 FEBEMO CC[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000168629880 546159340 /nfs/dbraw/zinc/15/93/40/546159340.db2.gz QDUJEMMHNWJYIZ-JTQLQIEISA-N 1 1 359.224 2.193 10 5 FEBEMO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000178745985 546843392 /nfs/dbraw/zinc/84/33/92/546843392.db2.gz YCWTYLHXMJTYOM-QGZVFWFLSA-N 1 1 369.425 2.153 10 5 FEBEMO Cc1cccc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000188377319 548277726 /nfs/dbraw/zinc/27/77/26/548277726.db2.gz BBOVPQHQLUYLGN-QGZVFWFLSA-N 1 1 371.437 2.465 10 5 FEBEMO CC(C)[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000246475268 549141261 /nfs/dbraw/zinc/14/12/61/549141261.db2.gz WMHWBQOZUCOQFK-CMPLNLGQSA-N 1 1 361.851 2.255 10 5 FEBEMO CCc1nccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246935505 549245289 /nfs/dbraw/zinc/24/52/89/549245289.db2.gz AVIOAAAZELECLD-IAGOWNOFSA-N 1 1 374.441 2.431 10 5 FEBEMO CC[C@@H]1CN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000248445666 549439124 /nfs/dbraw/zinc/43/91/24/549439124.db2.gz FIAGKWCBDRXZBL-OFQRWUPVSA-N 1 1 364.446 2.142 10 5 FEBEMO Cc1cc(NC[C@@H](C)[NH+]2CCN(C)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301225169 553632850 /nfs/dbraw/zinc/63/28/50/553632850.db2.gz FSTJNUHZJWPSQM-OAHLLOKOSA-N 1 1 370.457 2.408 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000117424231 670915485 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VETQVOMUUVQFPL-YOEHRIQHSA-N 1 1 364.446 2.313 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000117433802 326061000 /nfs/dbraw/zinc/06/10/00/326061000.db2.gz LRALSOYRMDOEIF-CQSZACIVSA-N 1 1 350.419 2.478 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000117433802 326061003 /nfs/dbraw/zinc/06/10/03/326061003.db2.gz LRALSOYRMDOEIF-CQSZACIVSA-N 1 1 350.419 2.478 10 5 FEBEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000155640159 545553064 /nfs/dbraw/zinc/55/30/64/545553064.db2.gz HDYDWEPPLVWCFR-GUYCJALGSA-N 1 1 357.414 2.239 10 5 FEBEMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]12 ZINC000186009929 548072774 /nfs/dbraw/zinc/07/27/74/548072774.db2.gz AIKFDJVMRJRBEP-VHDGCEQUSA-N 1 1 365.434 2.026 10 5 FEBEMO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195058570 548571334 /nfs/dbraw/zinc/57/13/34/548571334.db2.gz UTFYIEMHMDVNCB-INIZCTEOSA-N 1 1 355.398 2.091 10 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CCN1CCC[C@@H]1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128797320 672053079 /nfs/dbraw/zinc/05/30/79/672053079.db2.gz JTKZXWYMTHJYSY-CQSZACIVSA-N 1 1 352.410 2.479 10 5 FEBEMO CCN1CCC[C@@H]1C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128797320 672053081 /nfs/dbraw/zinc/05/30/81/672053081.db2.gz JTKZXWYMTHJYSY-CQSZACIVSA-N 1 1 352.410 2.479 10 5 FEBEMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000132400232 672097619 /nfs/dbraw/zinc/09/76/19/672097619.db2.gz VIYWIYFUJIZSHK-GFCCVEGCSA-N 1 1 359.423 2.147 10 5 FEBEMO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155397775 672232629 /nfs/dbraw/zinc/23/26/29/672232629.db2.gz LOTMUXQINZQWGN-GWCFXTLKSA-N 1 1 350.375 2.270 10 5 FEBEMO COc1ccc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000106076061 543191043 /nfs/dbraw/zinc/19/10/43/543191043.db2.gz OLXOPUDMFYHEMI-OAHLLOKOSA-N 1 1 357.414 2.494 10 5 FEBEMO 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ZINC000127643317 544005534 /nfs/dbraw/zinc/00/55/34/544005534.db2.gz KEGBNBWAAJKGBB-BBRMVZONSA-N 1 1 362.430 2.396 10 5 FEBEMO COCC[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000153542239 544788626 /nfs/dbraw/zinc/78/86/26/544788626.db2.gz MFLPZTXJYFNPMZ-CQSZACIVSA-N 1 1 360.414 2.402 10 5 FEBEMO O=C(C[NH+]1CCC(Cn2cccn2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000106184254 325589432 /nfs/dbraw/zinc/58/94/32/325589432.db2.gz DPBHZLOAXWZCLX-UHFFFAOYSA-N 1 1 369.425 2.093 10 5 FEBEMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000175189293 327378821 /nfs/dbraw/zinc/37/88/21/327378821.db2.gz RFVJWFJACCGTEQ-ZBFHGGJFSA-N 1 1 351.447 2.271 10 5 FEBEMO Cc1cc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000172015927 546232149 /nfs/dbraw/zinc/23/21/49/546232149.db2.gz UZZBKKJCAYQHMQ-INIZCTEOSA-N 1 1 363.439 2.484 10 5 FEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177040976 546529562 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357.410 2.134 10 5 FEBEMO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075711614 542199821 /nfs/dbraw/zinc/19/98/21/542199821.db2.gz XXFHARSNDVPYRU-DLBZAZTESA-N 1 1 360.414 2.004 10 5 FEBEMO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075711614 542199826 /nfs/dbraw/zinc/19/98/26/542199826.db2.gz XXFHARSNDVPYRU-DLBZAZTESA-N 1 1 360.414 2.004 10 5 FEBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000137047625 544383910 /nfs/dbraw/zinc/38/39/10/544383910.db2.gz TXBDFQMEIWDHMA-YJBOKZPZSA-N 1 1 359.430 2.249 10 5 FEBEMO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1OC ZINC000247539862 549352833 /nfs/dbraw/zinc/35/28/33/549352833.db2.gz YHAPAJXGRBTAQX-OLZOCXBDSA-N 1 1 363.414 2.311 10 5 FEBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116315331 326005807 /nfs/dbraw/zinc/00/58/07/326005807.db2.gz IILPQLGFRFTGQO-AWEZNQCLSA-N 1 1 357.414 2.455 10 5 FEBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116323964 326007588 /nfs/dbraw/zinc/00/75/88/326007588.db2.gz YWWZOKDVFLNTQV-STQMWFEESA-N 1 1 373.413 2.153 10 5 FEBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116323964 326007591 /nfs/dbraw/zinc/00/75/91/326007591.db2.gz YWWZOKDVFLNTQV-STQMWFEESA-N 1 1 373.413 2.153 10 5 FEBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000120875620 326295109 /nfs/dbraw/zinc/29/51/09/326295109.db2.gz HBYKCDNUWJRENW-QWHCGFSZSA-N 1 1 367.471 2.234 10 5 FEBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000120875620 326295110 /nfs/dbraw/zinc/29/51/10/326295110.db2.gz HBYKCDNUWJRENW-QWHCGFSZSA-N 1 1 367.471 2.234 10 5 FEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000157960042 545804782 /nfs/dbraw/zinc/80/47/82/545804782.db2.gz CIDDZTWODQQZAY-ZIAGYGMSSA-N 1 1 355.398 2.089 10 5 FEBEMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000183658084 547697538 /nfs/dbraw/zinc/69/75/38/547697538.db2.gz ISLLVJAPIWFBLF-LLVKDONJSA-N 1 1 359.835 2.025 10 5 FEBEMO CC[C@@H]1CN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000184886550 547893766 /nfs/dbraw/zinc/89/37/66/547893766.db2.gz FIAGKWCBDRXZBL-IJEWVQPXSA-N 1 1 364.446 2.142 10 5 FEBEMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000186003166 548071533 /nfs/dbraw/zinc/07/15/33/548071533.db2.gz DROVJGIRQSNMKN-MELADBBJSA-N 1 1 365.434 2.026 10 5 FEBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000247105006 549284283 /nfs/dbraw/zinc/28/42/83/549284283.db2.gz INXGVGUVWWYFAS-GUYCJALGSA-N 1 1 355.398 2.089 10 5 FEBEMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000160281535 672290309 /nfs/dbraw/zinc/29/03/09/672290309.db2.gz YSVTVQVKJPQNLE-GFCCVEGCSA-N 1 1 359.423 2.133 10 5 FEBEMO Cc1ccc(NC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)cc1[N+](=O)[O-] ZINC000072464960 136148779 /nfs/dbraw/zinc/14/87/79/136148779.db2.gz WMSVOHSEFWGHFB-UHFFFAOYSA-N 1 1 370.413 2.006 10 5 FEBEMO COc1ccc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000106076063 543190965 /nfs/dbraw/zinc/19/09/65/543190965.db2.gz OLXOPUDMFYHEMI-HNNXBMFYSA-N 1 1 357.414 2.494 10 5 FEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113227593 543478853 /nfs/dbraw/zinc/47/88/53/543478853.db2.gz SAUMKRNLTWGFNW-CZUORRHYSA-N 1 1 355.398 2.089 10 5 FEBEMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000191997118 328292733 /nfs/dbraw/zinc/29/27/33/328292733.db2.gz XBABGVNRILIZPX-UONOGXRCSA-N 1 1 355.460 2.219 10 5 FEBEMO COc1cc(C[NH+]2CCC(Nc3cccnn3)CC2)c([N+](=O)[O-])cc1OC ZINC000120300279 326247677 /nfs/dbraw/zinc/24/76/77/326247677.db2.gz WMGFWJLJNAFVKI-UHFFFAOYSA-N 1 1 373.413 2.479 10 5 FEBEMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000171643519 327150802 /nfs/dbraw/zinc/15/08/02/327150802.db2.gz FWGBSLISURQAQG-RDJZCZTQSA-N 1 1 372.425 2.164 10 5 FEBEMO CC[C@@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000173680653 327276164 /nfs/dbraw/zinc/27/61/64/327276164.db2.gz OLTVZIPLPZYTNM-OAHLLOKOSA-N 1 1 367.446 2.025 10 5 FEBEMO CC[C@@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174606385 327338070 /nfs/dbraw/zinc/33/80/70/327338070.db2.gz RVVHTRLWJYIMRO-CHWSQXEVSA-N 1 1 367.471 2.234 10 5 FEBEMO CC[C@@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000174606385 327338072 /nfs/dbraw/zinc/33/80/72/327338072.db2.gz RVVHTRLWJYIMRO-CHWSQXEVSA-N 1 1 367.471 2.234 10 5 FEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000176905449 546505104 /nfs/dbraw/zinc/50/51/04/546505104.db2.gz ZULPKXMHGRWUHQ-GFCCVEGCSA-N 1 1 368.821 2.129 10 5 FEBEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000178745975 546843508 /nfs/dbraw/zinc/84/35/08/546843508.db2.gz YCWTYLHXMJTYOM-KRWDZBQOSA-N 1 1 369.425 2.153 10 5 FEBEMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000182535967 547509691 /nfs/dbraw/zinc/50/96/91/547509691.db2.gz DGTCULDPFDWCDD-AWEZNQCLSA-N 1 1 359.430 2.127 10 5 FEBEMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000184800496 547880879 /nfs/dbraw/zinc/88/08/79/547880879.db2.gz VOFMQTKDTSHMFY-WBVHZDCISA-N 1 1 363.458 2.343 10 5 FEBEMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000184800496 547880881 /nfs/dbraw/zinc/88/08/81/547880881.db2.gz VOFMQTKDTSHMFY-WBVHZDCISA-N 1 1 363.458 2.343 10 5 FEBEMO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195058235 548570551 /nfs/dbraw/zinc/57/05/51/548570551.db2.gz PCIYMEIDVHTBGP-KRWDZBQOSA-N 1 1 355.398 2.091 10 5 FEBEMO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195058235 548570555 /nfs/dbraw/zinc/57/05/55/548570555.db2.gz 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O=C1[C@@H]([N@H+]2CC[C@H](Oc3cccnc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000154677642 544935771 /nfs/dbraw/zinc/93/57/71/544935771.db2.gz QIAJHOHVGJXJAQ-ROUUACIJSA-N 1 1 368.393 2.248 10 5 FEBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000190668944 328223443 /nfs/dbraw/zinc/22/34/43/328223443.db2.gz TVSZYQSHBBRSKT-HNNXBMFYSA-N 1 1 369.425 2.166 10 5 FEBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000173742718 327280495 /nfs/dbraw/zinc/28/04/95/327280495.db2.gz ALSOHSKUDCUBFO-AWEZNQCLSA-N 1 1 364.427 2.261 10 5 FEBEMO C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000177697724 327538835 /nfs/dbraw/zinc/53/88/35/327538835.db2.gz RNRSTIKQGMSFCO-IAQYHMDHSA-N 1 1 368.821 2.433 10 5 FEBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000177143452 546555069 /nfs/dbraw/zinc/55/50/69/546555069.db2.gz HSRBCEKCKUJJEP-ZDUSSCGKSA-N 1 1 354.370 2.281 10 5 FEBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245916622 549018607 /nfs/dbraw/zinc/01/86/07/549018607.db2.gz WFXWVYXGJISKGI-CABCVRRESA-N 1 1 369.425 2.479 10 5 FEBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247739934 549376816 /nfs/dbraw/zinc/37/68/16/549376816.db2.gz NLRHFIFUIWRKTB-CABCVRRESA-N 1 1 351.447 2.269 10 5 FEBEMO CCOCC[N@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247814374 549384814 /nfs/dbraw/zinc/38/48/14/549384814.db2.gz VVXFDCFACVLATO-MRXNPFEDSA-N 1 1 351.447 2.406 10 5 FEBEMO CCOCCN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247814374 549384817 /nfs/dbraw/zinc/38/48/17/549384817.db2.gz VVXFDCFACVLATO-MRXNPFEDSA-N 1 1 351.447 2.406 10 5 FEBEMO CCOCCN1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247814374 549384821 /nfs/dbraw/zinc/38/48/21/549384821.db2.gz VVXFDCFACVLATO-MRXNPFEDSA-N 1 1 351.447 2.406 10 5 FEBEMO Cc1cc(N[C@H](C)CN2CC[NH+](C)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301170611 553627933 /nfs/dbraw/zinc/62/79/33/553627933.db2.gz DKYNBKJMSBNTKD-OAHLLOKOSA-N 1 1 370.457 2.408 10 5 FEBEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000103476401 543110506 /nfs/dbraw/zinc/11/05/06/543110506.db2.gz NAHJQGVPHITFHA-AWEZNQCLSA-N 1 1 372.429 2.414 10 5 FEBEMO CC[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCOC ZINC000106113122 543201197 /nfs/dbraw/zinc/20/11/97/543201197.db2.gz HNBJLFADWLRWEI-MRXNPFEDSA-N 1 1 351.447 2.406 10 5 FEBEMO CC[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1CCOC ZINC000106113122 543201198 /nfs/dbraw/zinc/20/11/98/543201198.db2.gz HNBJLFADWLRWEI-MRXNPFEDSA-N 1 1 351.447 2.406 10 5 FEBEMO CC[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1CCOC ZINC000106113122 543201201 /nfs/dbraw/zinc/20/12/01/543201201.db2.gz HNBJLFADWLRWEI-MRXNPFEDSA-N 1 1 351.447 2.406 10 5 FEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000113226085 543477727 /nfs/dbraw/zinc/47/77/27/543477727.db2.gz YXMUNPHETWVTPE-DZGCQCFKSA-N 1 1 355.398 2.089 10 5 FEBEMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000123188685 543747315 /nfs/dbraw/zinc/74/73/15/543747315.db2.gz FTULDKOZCHAURB-CQSZACIVSA-N 1 1 358.398 2.380 10 5 FEBEMO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC[N@H+]1CCOC ZINC000153688440 544809334 /nfs/dbraw/zinc/80/93/34/544809334.db2.gz XNSPIXSKBMMNHF-HNNXBMFYSA-N 1 1 350.419 2.478 10 5 FEBEMO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000153687395 544809408 /nfs/dbraw/zinc/80/94/08/544809408.db2.gz DCGSOJUASQQHGM-UHFFFAOYSA-N 1 1 372.429 2.377 10 5 FEBEMO Cc1cc(NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000153687395 544809411 /nfs/dbraw/zinc/80/94/11/544809411.db2.gz DCGSOJUASQQHGM-UHFFFAOYSA-N 1 1 372.429 2.377 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000155237114 545004473 /nfs/dbraw/zinc/00/44/73/545004473.db2.gz KEPZUZDEPODASU-KRWDZBQOSA-N 1 1 363.458 2.487 10 5 FEBEMO CN(C(=O)C[NH+]1CCC(Cn2cccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000106184104 325589501 /nfs/dbraw/zinc/58/95/01/325589501.db2.gz CSJUFGJFRGFHFV-UHFFFAOYSA-N 1 1 357.414 2.166 10 5 FEBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116315335 326005477 /nfs/dbraw/zinc/00/54/77/326005477.db2.gz IILPQLGFRFTGQO-CQSZACIVSA-N 1 1 357.414 2.455 10 5 FEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121727466 326361541 /nfs/dbraw/zinc/36/15/41/326361541.db2.gz PEWNRBXCKYTWTF-CQSZACIVSA-N 1 1 362.430 2.093 10 5 FEBEMO COCC[N@@H+]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000172327963 327196028 /nfs/dbraw/zinc/19/60/28/327196028.db2.gz SSLJHNIJFSRUOZ-KGLIPLIRSA-N 1 1 350.419 2.018 10 5 FEBEMO COCC[N@H+]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000172327963 327196030 /nfs/dbraw/zinc/19/60/30/327196030.db2.gz SSLJHNIJFSRUOZ-KGLIPLIRSA-N 1 1 350.419 2.018 10 5 FEBEMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157831229 545789274 /nfs/dbraw/zinc/78/92/74/545789274.db2.gz FVSZDPZNZIXKFD-ZDUSSCGKSA-N 1 1 353.423 2.171 10 5 FEBEMO CC[N@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177701444 546669874 /nfs/dbraw/zinc/66/98/74/546669874.db2.gz UETIFTRSVRNVBK-KBPBESRZSA-N 1 1 364.446 2.347 10 5 FEBEMO CC[N@H+]1CCC[C@@H]1CN(C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177698657 546670642 /nfs/dbraw/zinc/67/06/42/546670642.db2.gz AZYSAEFZTVVEQM-CQSZACIVSA-N 1 1 364.446 2.348 10 5 FEBEMO CCN1CCC[C@@H]1C[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177698657 546670648 /nfs/dbraw/zinc/67/06/48/546670648.db2.gz AZYSAEFZTVVEQM-CQSZACIVSA-N 1 1 364.446 2.348 10 5 FEBEMO CCN1CCC[C@@H]1C[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177698657 546670649 /nfs/dbraw/zinc/67/06/49/546670649.db2.gz AZYSAEFZTVVEQM-CQSZACIVSA-N 1 1 364.446 2.348 10 5 FEBEMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178314389 546774605 /nfs/dbraw/zinc/77/46/05/546774605.db2.gz FFBCMTLMEFRADL-GFCCVEGCSA-N 1 1 354.204 2.278 10 5 FEBEMO COc1cc(CN2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000178640491 546825727 /nfs/dbraw/zinc/82/57/27/546825727.db2.gz BPTCXVKEJQSZDK-GFCCVEGCSA-N 1 1 357.357 2.485 10 5 FEBEMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000180749621 547173010 /nfs/dbraw/zinc/17/30/10/547173010.db2.gz SVXFANJZGMJLMT-NEPJUHHUSA-N 1 1 355.822 2.165 10 5 FEBEMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000180749621 547173014 /nfs/dbraw/zinc/17/30/14/547173014.db2.gz SVXFANJZGMJLMT-NEPJUHHUSA-N 1 1 355.822 2.165 10 5 FEBEMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1OC ZINC000195080798 548573801 /nfs/dbraw/zinc/57/38/01/548573801.db2.gz RIIKIINYJFVOPD-CYBMUJFWSA-N 1 1 363.414 2.312 10 5 FEBEMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1OC ZINC000195080798 548573803 /nfs/dbraw/zinc/57/38/03/548573803.db2.gz RIIKIINYJFVOPD-CYBMUJFWSA-N 1 1 363.414 2.312 10 5 FEBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000245412182 548911995 /nfs/dbraw/zinc/91/19/95/548911995.db2.gz ACKQINMLOFRJGI-KBPBESRZSA-N 1 1 362.430 2.101 10 5 FEBEMO CC[C@H]1CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000247074356 549277162 /nfs/dbraw/zinc/27/71/62/549277162.db2.gz ZZXXKRWOTVAEOH-JSGCOSHPSA-N 1 1 367.471 2.234 10 5 FEBEMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000247337178 549321392 /nfs/dbraw/zinc/32/13/92/549321392.db2.gz XGXGAWUWZRPUAF-KXBFYZLASA-N 1 1 359.426 2.111 10 5 FEBEMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000247337178 549321397 /nfs/dbraw/zinc/32/13/97/549321397.db2.gz XGXGAWUWZRPUAF-KXBFYZLASA-N 1 1 359.426 2.111 10 5 FEBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247339152 549321484 /nfs/dbraw/zinc/32/14/84/549321484.db2.gz XJSFBBSUCXPGFG-SCLBCKFNSA-N 1 1 363.414 2.169 10 5 FEBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247339152 549321486 /nfs/dbraw/zinc/32/14/86/549321486.db2.gz XJSFBBSUCXPGFG-SCLBCKFNSA-N 1 1 363.414 2.169 10 5 FEBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000248335001 549419570 /nfs/dbraw/zinc/41/95/70/549419570.db2.gz GIXKGTCHRYYBOH-HNNXBMFYSA-N 1 1 362.430 2.102 10 5 FEBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000248335001 549419571 /nfs/dbraw/zinc/41/95/71/549419571.db2.gz GIXKGTCHRYYBOH-HNNXBMFYSA-N 1 1 362.430 2.102 10 5 FEBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN2CCCC[C@H]2C1 ZINC000248335001 549419574 /nfs/dbraw/zinc/41/95/74/549419574.db2.gz GIXKGTCHRYYBOH-HNNXBMFYSA-N 1 1 362.430 2.102 10 5 FEBEMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000248552756 549455689 /nfs/dbraw/zinc/45/56/89/549455689.db2.gz AIKFDJVMRJRBEP-NWANDNLSSA-N 1 1 365.434 2.026 10 5 FEBEMO CCn1cc(C[N@H+]2CCCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)cn1 ZINC000302021832 553698785 /nfs/dbraw/zinc/69/87/85/553698785.db2.gz FUVQRVLKVRDCFH-UHFFFAOYSA-N 1 1 359.430 2.016 10 5 FEBEMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1CC ZINC000110560690 670849689 /nfs/dbraw/zinc/84/96/89/670849689.db2.gz GWXNVQBHKXLUIM-CYBMUJFWSA-N 1 1 352.391 2.440 10 5 FEBEMO Cc1cccc(Nc2[nH]cnc(=NN3CC[NH+](C)CC3)c2[N+](=O)[O-])c1C ZINC000040620397 205073833 /nfs/dbraw/zinc/07/38/33/205073833.db2.gz AZFHQHKXGIRYOF-UHFFFAOYSA-N 1 1 357.418 2.320 10 5 FEBEMO CCOCC[N@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1CC ZINC000106117046 543202737 /nfs/dbraw/zinc/20/27/37/543202737.db2.gz YIMRWMGOLDLGKL-MRXNPFEDSA-N 1 1 351.447 2.406 10 5 FEBEMO Cc1c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000113222585 543477717 /nfs/dbraw/zinc/47/77/17/543477717.db2.gz XKTNXDDSPGIQCS-GWCFXTLKSA-N 1 1 362.386 2.429 10 5 FEBEMO CCOCC[N@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000137042876 544383285 /nfs/dbraw/zinc/38/32/85/544383285.db2.gz YSTJXSPUUVRYGY-WMZOPIPTSA-N 1 1 351.447 2.061 10 5 FEBEMO O=C1[C@H]([NH+]2CCC(Cn3cccn3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109132930 325659887 /nfs/dbraw/zinc/65/98/87/325659887.db2.gz IDTHVDIYRFKDSE-GOSISDBHSA-N 1 1 369.425 2.309 10 5 FEBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000120339574 326250744 /nfs/dbraw/zinc/25/07/44/326250744.db2.gz OLUSJUUZCAFJOK-PBHICJAKSA-N 1 1 362.430 2.396 10 5 FEBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173743164 327280437 /nfs/dbraw/zinc/28/04/37/327280437.db2.gz DUEQQVZWAHSOEF-ZDUSSCGKSA-N 1 1 368.390 2.092 10 5 FEBEMO CCOC(=O)c1ccnc(N2CCC[C@H]2Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000174919399 327360788 /nfs/dbraw/zinc/36/07/88/327360788.db2.gz QESPKWQOBOVUBN-ZDUSSCGKSA-N 1 1 359.386 2.340 10 5 FEBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000155525804 545538578 /nfs/dbraw/zinc/53/85/78/545538578.db2.gz FZKSLDNPNWLTEA-DYVFJYSZSA-N 1 1 357.414 2.239 10 5 FEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000177005267 546521998 /nfs/dbraw/zinc/52/19/98/546521998.db2.gz VOFRXGNZTKQVMV-GFCCVEGCSA-N 1 1 350.375 2.368 10 5 FEBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178747871 546843418 /nfs/dbraw/zinc/84/34/18/546843418.db2.gz PBZNITLVDZWRAX-OAHLLOKOSA-N 1 1 373.413 2.211 10 5 FEBEMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000182227797 547456812 /nfs/dbraw/zinc/45/68/12/547456812.db2.gz FKUCNAUIRRWRGC-CVEARBPZSA-N 1 1 372.425 2.164 10 5 FEBEMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000132400462 672097595 /nfs/dbraw/zinc/09/75/95/672097595.db2.gz VIYWIYFUJIZSHK-LBPRGKRZSA-N 1 1 359.423 2.147 10 5 FEBEMO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000176709333 672376318 /nfs/dbraw/zinc/37/63/18/672376318.db2.gz SHNFOHWXAMOBAV-RYUDHWBXSA-N 1 1 373.862 2.414 10 5 FEBEMO C[C@@](O)(C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000077359374 542372734 /nfs/dbraw/zinc/37/27/34/542372734.db2.gz DKJQSYYLJHELPQ-HXUWFJFHSA-N 1 1 369.421 2.260 10 5 FEBEMO COc1ccc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)cc1[N+](=O)[O-] ZINC000106128896 543205490 /nfs/dbraw/zinc/20/54/90/543205490.db2.gz AKMAGVRRQLUHSN-UHFFFAOYSA-N 1 1 373.457 2.396 10 5 FEBEMO COc1ccc(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)cc1[N+](=O)[O-] ZINC000106128896 543205493 /nfs/dbraw/zinc/20/54/93/543205493.db2.gz AKMAGVRRQLUHSN-UHFFFAOYSA-N 1 1 373.457 2.396 10 5 FEBEMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(CCn2cccn2)CC1 ZINC000106128727 543206103 /nfs/dbraw/zinc/20/61/03/543206103.db2.gz QLHNHMBXHGTNKW-UHFFFAOYSA-N 1 1 373.457 2.267 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000117277689 543626199 /nfs/dbraw/zinc/62/61/99/543626199.db2.gz YLKDYDRXRNOGJJ-GFCCVEGCSA-N 1 1 355.822 2.431 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000117277689 543626202 /nfs/dbraw/zinc/62/62/02/543626202.db2.gz YLKDYDRXRNOGJJ-GFCCVEGCSA-N 1 1 355.822 2.431 10 5 FEBEMO CC[C@H](NC(=O)NC[C@H]1CCC[N@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000090563819 325363914 /nfs/dbraw/zinc/36/39/14/325363914.db2.gz HTJZFKFZBSHYLT-SJORKVTESA-N 1 1 364.446 2.456 10 5 FEBEMO COc1ccc(CN2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cc1[N+](=O)[O-] ZINC000106142273 325586192 /nfs/dbraw/zinc/58/61/92/325586192.db2.gz PFEBUWRPTKUQCZ-UHFFFAOYSA-N 1 1 373.457 2.272 10 5 FEBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116323968 326007722 /nfs/dbraw/zinc/00/77/22/326007722.db2.gz YWWZOKDVFLNTQV-OLZOCXBDSA-N 1 1 373.413 2.153 10 5 FEBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116323968 326007726 /nfs/dbraw/zinc/00/77/26/326007726.db2.gz YWWZOKDVFLNTQV-OLZOCXBDSA-N 1 1 373.413 2.153 10 5 FEBEMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000128564994 326526023 /nfs/dbraw/zinc/52/60/23/326526023.db2.gz ABJUFCHYMYKKQV-ZDUSSCGKSA-N 1 1 364.427 2.380 10 5 FEBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000153189856 326726427 /nfs/dbraw/zinc/72/64/27/326726427.db2.gz YKOATYMPCGSKEI-CQSZACIVSA-N 1 1 367.471 2.236 10 5 FEBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000173743458 327280433 /nfs/dbraw/zinc/28/04/33/327280433.db2.gz HMVHVJRYCJKOFZ-AWEZNQCLSA-N 1 1 364.427 2.261 10 5 FEBEMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000173741238 327280474 /nfs/dbraw/zinc/28/04/74/327280474.db2.gz MSPAKNPPONOULA-CQSZACIVSA-N 1 1 364.427 2.261 10 5 FEBEMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1CCOC ZINC000155566459 545543242 /nfs/dbraw/zinc/54/32/42/545543242.db2.gz RQGUPAQOZNFPIR-CQSZACIVSA-N 1 1 372.425 2.326 10 5 FEBEMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1CCOC ZINC000155566459 545543245 /nfs/dbraw/zinc/54/32/45/545543245.db2.gz RQGUPAQOZNFPIR-CQSZACIVSA-N 1 1 372.425 2.326 10 5 FEBEMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCN(c4cccnn4)CC3)nc2c1 ZINC000177051673 546533099 /nfs/dbraw/zinc/53/30/99/546533099.db2.gz CJQUROPEHXREJS-UHFFFAOYSA-N 1 1 354.370 2.238 10 5 FEBEMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCN(c4cccnn4)CC3)nc2c1 ZINC000177051673 546533103 /nfs/dbraw/zinc/53/31/03/546533103.db2.gz CJQUROPEHXREJS-UHFFFAOYSA-N 1 1 354.370 2.238 10 5 FEBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000177157795 546558217 /nfs/dbraw/zinc/55/82/17/546558217.db2.gz QDOIFNWITAUTRP-HNNXBMFYSA-N 1 1 357.414 2.227 10 5 FEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182809750 547556152 /nfs/dbraw/zinc/55/61/52/547556152.db2.gz MSWRTTZCKRABAD-GFCCVEGCSA-N 1 1 368.821 2.129 10 5 FEBEMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184766180 547876829 /nfs/dbraw/zinc/87/68/29/547876829.db2.gz FBHBMYJTFSFQKI-FUHWJXTLSA-N 1 1 363.458 2.079 10 5 FEBEMO CCOc1ccc(NC(=O)CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000246832476 549225128 /nfs/dbraw/zinc/22/51/28/549225128.db2.gz CULJGNJCELSSSA-ZIAGYGMSSA-N 1 1 362.430 2.101 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000248539056 549454803 /nfs/dbraw/zinc/45/48/03/549454803.db2.gz ATPXETVZMIRTPX-UONOGXRCSA-N 1 1 367.421 2.407 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000248539056 549454807 /nfs/dbraw/zinc/45/48/07/549454807.db2.gz ATPXETVZMIRTPX-UONOGXRCSA-N 1 1 367.421 2.407 10 5 FEBEMO C[NH+](C)C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000194337096 672756617 /nfs/dbraw/zinc/75/66/17/672756617.db2.gz BHRQSNZFODCNMF-AWEZNQCLSA-N 1 1 367.402 2.315 10 5 FEBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000248028528 672853952 /nfs/dbraw/zinc/85/39/52/672853952.db2.gz JXOFOWNETPTHAJ-OLZOCXBDSA-N 1 1 371.434 2.290 10 5 FEBEMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)n2)c1 ZINC000106172734 543211650 /nfs/dbraw/zinc/21/16/50/543211650.db2.gz MRWMYCHLZDTWHG-CYBMUJFWSA-N 1 1 369.385 2.149 10 5 FEBEMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)n2)c1 ZINC000106172734 543211652 /nfs/dbraw/zinc/21/16/52/543211652.db2.gz MRWMYCHLZDTWHG-CYBMUJFWSA-N 1 1 369.385 2.149 10 5 FEBEMO Cc1cnn([C@H]2CCC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)c1 ZINC000106222790 543220526 /nfs/dbraw/zinc/22/05/26/543220526.db2.gz XOLKPKOGJNSABI-KRWDZBQOSA-N 1 1 369.425 2.326 10 5 FEBEMO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)c1 ZINC000106222790 543220528 /nfs/dbraw/zinc/22/05/28/543220528.db2.gz XOLKPKOGJNSABI-KRWDZBQOSA-N 1 1 369.425 2.326 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1CC ZINC000117040057 543621461 /nfs/dbraw/zinc/62/14/61/543621461.db2.gz GKSWWLWWKIJMLT-MRXNPFEDSA-N 1 1 364.446 2.237 10 5 FEBEMO CC[C@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000117303960 543628976 /nfs/dbraw/zinc/62/89/76/543628976.db2.gz FXRPCEHJMVQBOV-ZDUSSCGKSA-N 1 1 367.471 2.500 10 5 FEBEMO CC[C@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000117303960 543628979 /nfs/dbraw/zinc/62/89/79/543628979.db2.gz FXRPCEHJMVQBOV-ZDUSSCGKSA-N 1 1 367.471 2.500 10 5 FEBEMO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC[N@H+]1CCOC ZINC000153688328 544808824 /nfs/dbraw/zinc/80/88/24/544808824.db2.gz XNSPIXSKBMMNHF-OAHLLOKOSA-N 1 1 350.419 2.478 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C[C@H]1C ZINC000188165734 328070487 /nfs/dbraw/zinc/07/04/87/328070487.db2.gz MAUGKVKSSCXYNC-CYBMUJFWSA-N 1 1 367.471 2.500 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C[C@H]1C ZINC000188165734 328070489 /nfs/dbraw/zinc/07/04/89/328070489.db2.gz MAUGKVKSSCXYNC-CYBMUJFWSA-N 1 1 367.471 2.500 10 5 FEBEMO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2ccc(Br)o2)cc1 ZINC000191082012 328248983 /nfs/dbraw/zinc/24/89/83/328248983.db2.gz NWIJTVXUSRYECB-GXTWGEPZSA-N 1 1 371.187 2.134 10 5 FEBEMO Cc1cc(C)c(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000191997123 328292671 /nfs/dbraw/zinc/29/26/71/328292671.db2.gz XBABGVNRILIZPX-KBPBESRZSA-N 1 1 355.460 2.219 10 5 FEBEMO O=C1[C@@H]([NH+]2CCC(Cn3cccn3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109132928 325659839 /nfs/dbraw/zinc/65/98/39/325659839.db2.gz IDTHVDIYRFKDSE-SFHVURJKSA-N 1 1 369.425 2.309 10 5 FEBEMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000116323442 326007341 /nfs/dbraw/zinc/00/73/41/326007341.db2.gz HCSANKXBZXJSDU-STQMWFEESA-N 1 1 373.413 2.153 10 5 FEBEMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000116323442 326007344 /nfs/dbraw/zinc/00/73/44/326007344.db2.gz HCSANKXBZXJSDU-STQMWFEESA-N 1 1 373.413 2.153 10 5 FEBEMO CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@H+]1CCOC ZINC000117433787 326060882 /nfs/dbraw/zinc/06/08/82/326060882.db2.gz WHBPUCVGVRIOCF-CQSZACIVSA-N 1 1 350.419 2.478 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000117433798 326060915 /nfs/dbraw/zinc/06/09/15/326060915.db2.gz LRALSOYRMDOEIF-AWEZNQCLSA-N 1 1 350.419 2.478 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000117433798 326060919 /nfs/dbraw/zinc/06/09/19/326060919.db2.gz LRALSOYRMDOEIF-AWEZNQCLSA-N 1 1 350.419 2.478 10 5 FEBEMO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C[C@@H](C)O ZINC000120767630 326286158 /nfs/dbraw/zinc/28/61/58/326286158.db2.gz KRUQOFVBIZRZBS-TZMCWYRMSA-N 1 1 373.400 2.473 10 5 FEBEMO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[N@H+]1C[C@@H](C)O ZINC000162577732 327029023 /nfs/dbraw/zinc/02/90/23/327029023.db2.gz LJGFGERNWZNBLB-ZIAGYGMSSA-N 1 1 350.419 2.212 10 5 FEBEMO CC[C@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174606400 327338237 /nfs/dbraw/zinc/33/82/37/327338237.db2.gz RVVHTRLWJYIMRO-OLZOCXBDSA-N 1 1 367.471 2.234 10 5 FEBEMO CC[C@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000174606400 327338238 /nfs/dbraw/zinc/33/82/38/327338238.db2.gz RVVHTRLWJYIMRO-OLZOCXBDSA-N 1 1 367.471 2.234 10 5 FEBEMO CC[C@@H](NC(=O)NCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000175501900 327396243 /nfs/dbraw/zinc/39/62/43/327396243.db2.gz VXYOLWXZDQETBT-MRXNPFEDSA-N 1 1 350.419 2.067 10 5 FEBEMO CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000176287652 327446295 /nfs/dbraw/zinc/44/62/95/327446295.db2.gz VETQVOMUUVQFPL-RHSMWYFYSA-N 1 1 364.446 2.313 10 5 FEBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000177973818 327556123 /nfs/dbraw/zinc/55/61/23/327556123.db2.gz SFZPAQVWDLLRDI-CQSZACIVSA-N 1 1 371.397 2.038 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1C ZINC000155554556 545541697 /nfs/dbraw/zinc/54/16/97/545541697.db2.gz LNJSEQUDSDPTFQ-CQSZACIVSA-N 1 1 372.425 2.326 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1C ZINC000155554556 545541701 /nfs/dbraw/zinc/54/17/01/545541701.db2.gz LNJSEQUDSDPTFQ-CQSZACIVSA-N 1 1 372.425 2.326 10 5 FEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177040964 546529764 /nfs/dbraw/zinc/52/97/64/546529764.db2.gz QWYUIUWVFAWWED-MRXNPFEDSA-N 1 1 357.414 2.337 10 5 FEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000177381778 546605359 /nfs/dbraw/zinc/60/53/59/546605359.db2.gz MORFBKBVRFDRLV-HNNXBMFYSA-N 1 1 350.419 2.229 10 5 FEBEMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184597907 547851517 /nfs/dbraw/zinc/85/15/17/547851517.db2.gz KBXXEVUYVMNXMZ-OAHLLOKOSA-N 1 1 364.427 2.094 10 5 FEBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245731521 548983567 /nfs/dbraw/zinc/98/35/67/548983567.db2.gz CIDDZTWODQQZAY-KGLIPLIRSA-N 1 1 355.398 2.089 10 5 FEBEMO CC[C@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246943798 549247919 /nfs/dbraw/zinc/24/79/19/549247919.db2.gz RVVHTRLWJYIMRO-STQMWFEESA-N 1 1 367.471 2.234 10 5 FEBEMO CC[C@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000246943798 549247922 /nfs/dbraw/zinc/24/79/22/549247922.db2.gz RVVHTRLWJYIMRO-STQMWFEESA-N 1 1 367.471 2.234 10 5 FEBEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000246995974 549260509 /nfs/dbraw/zinc/26/05/09/549260509.db2.gz GQSTUJBBTKYINH-SUMWQHHRSA-N 1 1 357.414 2.239 10 5 FEBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000247321879 549317762 /nfs/dbraw/zinc/31/77/62/549317762.db2.gz OQCVLGHJVDULDD-PWSUYJOCSA-N 1 1 359.835 2.105 10 5 FEBEMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1CCOC ZINC000117425676 670915376 /nfs/dbraw/zinc/91/53/76/670915376.db2.gz VGRIQDOBNDJANT-GFCCVEGCSA-N 1 1 355.822 2.431 10 5 FEBEMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1CCOC ZINC000117425676 670915379 /nfs/dbraw/zinc/91/53/79/670915379.db2.gz VGRIQDOBNDJANT-GFCCVEGCSA-N 1 1 355.822 2.431 10 5 FEBEMO Cc1cc(C)cc(Nc2[nH]cnc(=NN3CC[NH+](C)CC3)c2[N+](=O)[O-])c1 ZINC000040582978 205072959 /nfs/dbraw/zinc/07/29/59/205072959.db2.gz KXOKASRJSPGTNY-UHFFFAOYSA-N 1 1 357.418 2.320 10 5 FEBEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000103476391 543109980 /nfs/dbraw/zinc/10/99/80/543109980.db2.gz ZIJOEWBKKOMOLG-CQSZACIVSA-N 1 1 372.429 2.414 10 5 FEBEMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)o2)cc1 ZINC000106176203 543213953 /nfs/dbraw/zinc/21/39/53/543213953.db2.gz NAMVRNZELXOHSG-CYBMUJFWSA-N 1 1 369.385 2.149 10 5 FEBEMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)o2)cc1 ZINC000106176203 543213956 /nfs/dbraw/zinc/21/39/56/543213956.db2.gz NAMVRNZELXOHSG-CYBMUJFWSA-N 1 1 369.385 2.149 10 5 FEBEMO CCOC(=O)c1cc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000125513976 543886358 /nfs/dbraw/zinc/88/63/58/543886358.db2.gz JGGZGFKEKJLJIV-AWEZNQCLSA-N 1 1 365.430 2.319 10 5 FEBEMO Cc1c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000247530144 549351633 /nfs/dbraw/zinc/35/16/33/549351633.db2.gz XKTNXDDSPGIQCS-MFKMUULPSA-N 1 1 362.386 2.429 10 5 FEBEMO Cc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154787292 544949636 /nfs/dbraw/zinc/94/96/36/544949636.db2.gz JCKOHAZFJVJTMS-CZUORRHYSA-N 1 1 357.414 2.491 10 5 FEBEMO Cc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154787292 544949641 /nfs/dbraw/zinc/94/96/41/544949641.db2.gz JCKOHAZFJVJTMS-CZUORRHYSA-N 1 1 357.414 2.491 10 5 FEBEMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000247543274 549353688 /nfs/dbraw/zinc/35/36/88/549353688.db2.gz PHSTYYYGIJIPKD-QWRGUYRKSA-N 1 1 356.810 2.167 10 5 FEBEMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000247543274 549353690 /nfs/dbraw/zinc/35/36/90/549353690.db2.gz PHSTYYYGIJIPKD-QWRGUYRKSA-N 1 1 356.810 2.167 10 5 FEBEMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H](O)COCc3ccccc3)C2)nc1 ZINC000122274121 326390671 /nfs/dbraw/zinc/39/06/71/326390671.db2.gz GOSJQCQGXOQILC-WMZOPIPTSA-N 1 1 372.425 2.054 10 5 FEBEMO CC(C)[N@@H+]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000173884856 327291546 /nfs/dbraw/zinc/29/15/46/327291546.db2.gz QTWNPHMLRKSMJE-GWCFXTLKSA-N 1 1 361.851 2.255 10 5 FEBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000175036809 327369834 /nfs/dbraw/zinc/36/98/34/327369834.db2.gz WNZNYMHNPNKKTJ-MAUKXSAKSA-N 1 1 369.425 2.479 10 5 FEBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000159200766 545930680 /nfs/dbraw/zinc/93/06/80/545930680.db2.gz TWXYDAHHWNZDMD-SFHVURJKSA-N 1 1 369.421 2.052 10 5 FEBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000159860492 545987451 /nfs/dbraw/zinc/98/74/51/545987451.db2.gz OHAPIPRTRNXHDL-FUHWJXTLSA-N 1 1 357.410 2.345 10 5 FEBEMO COc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000161300343 546117896 /nfs/dbraw/zinc/11/78/96/546117896.db2.gz JLUWXGNDQCPGKB-YPMHNXCESA-N 1 1 351.403 2.071 10 5 FEBEMO COCC[N@@H+]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000185252726 547959176 /nfs/dbraw/zinc/95/91/76/547959176.db2.gz DTCAVEOJFBYHAF-OLZOCXBDSA-N 1 1 353.394 2.017 10 5 FEBEMO COCC[N@H+]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000185252726 547959177 /nfs/dbraw/zinc/95/91/77/547959177.db2.gz DTCAVEOJFBYHAF-OLZOCXBDSA-N 1 1 353.394 2.017 10 5 FEBEMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000193893436 548402187 /nfs/dbraw/zinc/40/21/87/548402187.db2.gz MMMGYISJONZETO-HNNXBMFYSA-N 1 1 372.385 2.394 10 5 FEBEMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000193893436 548402190 /nfs/dbraw/zinc/40/21/90/548402190.db2.gz MMMGYISJONZETO-HNNXBMFYSA-N 1 1 372.385 2.394 10 5 FEBEMO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195251675 548604215 /nfs/dbraw/zinc/60/42/15/548604215.db2.gz DWDFTTJZOLZIBZ-CQSZACIVSA-N 1 1 364.475 2.010 10 5 FEBEMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195251675 548604217 /nfs/dbraw/zinc/60/42/17/548604217.db2.gz DWDFTTJZOLZIBZ-CQSZACIVSA-N 1 1 364.475 2.010 10 5 FEBEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195251675 548604220 /nfs/dbraw/zinc/60/42/20/548604220.db2.gz DWDFTTJZOLZIBZ-CQSZACIVSA-N 1 1 364.475 2.010 10 5 FEBEMO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246110721 549054165 /nfs/dbraw/zinc/05/41/65/549054165.db2.gz JIZAZHCVUAIDRC-KGLIPLIRSA-N 1 1 372.429 2.413 10 5 FEBEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246110721 549054167 /nfs/dbraw/zinc/05/41/67/549054167.db2.gz JIZAZHCVUAIDRC-KGLIPLIRSA-N 1 1 372.429 2.413 10 5 FEBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247739939 549376709 /nfs/dbraw/zinc/37/67/09/549376709.db2.gz NLRHFIFUIWRKTB-GJZGRUSLSA-N 1 1 351.447 2.269 10 5 FEBEMO CCc1ccc(Nc2[nH]cnc(=NN3CC[NH+](C)CC3)c2[N+](=O)[O-])cc1 ZINC000040587271 205072978 /nfs/dbraw/zinc/07/29/78/205072978.db2.gz KTXONVITTGDHBT-UHFFFAOYSA-N 1 1 357.418 2.265 10 5 FEBEMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000106075673 543191039 /nfs/dbraw/zinc/19/10/39/543191039.db2.gz FQNQAWQMIRIJJQ-HNNXBMFYSA-N 1 1 357.414 2.364 10 5 FEBEMO CCOC(=O)c1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000113226914 543477826 /nfs/dbraw/zinc/47/78/26/543477826.db2.gz AFWNMUOQTRUTRQ-SWLSCSKDSA-N 1 1 361.398 2.080 10 5 FEBEMO CC[C@H]1CN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000117481721 543633520 /nfs/dbraw/zinc/63/35/20/543633520.db2.gz DTDSVSDUQRXDML-HOCLYGCPSA-N 1 1 364.446 2.408 10 5 FEBEMO Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000136695074 544377614 /nfs/dbraw/zinc/37/76/14/544377614.db2.gz JCEBYBJSIYBZLF-UHFFFAOYSA-N 1 1 372.429 2.377 10 5 FEBEMO Cc1ccc(NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000136695074 544377617 /nfs/dbraw/zinc/37/76/17/544377617.db2.gz JCEBYBJSIYBZLF-UHFFFAOYSA-N 1 1 372.429 2.377 10 5 FEBEMO Cc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154787073 544949397 /nfs/dbraw/zinc/94/93/97/544949397.db2.gz JCKOHAZFJVJTMS-CJNGLKHVSA-N 1 1 357.414 2.491 10 5 FEBEMO Cc1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154787073 544949402 /nfs/dbraw/zinc/94/94/02/544949402.db2.gz JCKOHAZFJVJTMS-CJNGLKHVSA-N 1 1 357.414 2.491 10 5 FEBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190575919 328217272 /nfs/dbraw/zinc/21/72/72/328217272.db2.gz IEIWFKZYHBHNNW-MRXNPFEDSA-N 1 1 369.425 2.287 10 5 FEBEMO COc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000161300431 546118053 /nfs/dbraw/zinc/11/80/53/546118053.db2.gz JLUWXGNDQCPGKB-AAEUAGOBSA-N 1 1 351.403 2.071 10 5 FEBEMO CCc1nccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182239667 547459457 /nfs/dbraw/zinc/45/94/57/547459457.db2.gz WIXCQFHATYIWKT-HOTGVXAUSA-N 1 1 374.441 2.431 10 5 FEBEMO CC[C@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000184202246 547785624 /nfs/dbraw/zinc/78/56/24/547785624.db2.gz CPKDUEUUOVESQN-AWEZNQCLSA-N 1 1 355.410 2.285 10 5 FEBEMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1OC ZINC000195080811 548575160 /nfs/dbraw/zinc/57/51/60/548575160.db2.gz RIIKIINYJFVOPD-ZDUSSCGKSA-N 1 1 363.414 2.312 10 5 FEBEMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1OC ZINC000195080811 548575165 /nfs/dbraw/zinc/57/51/65/548575165.db2.gz RIIKIINYJFVOPD-ZDUSSCGKSA-N 1 1 363.414 2.312 10 5 FEBEMO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195265822 548606853 /nfs/dbraw/zinc/60/68/53/548606853.db2.gz WENAGCUIPSHBPG-CQSZACIVSA-N 1 1 364.475 2.010 10 5 FEBEMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195265822 548606858 /nfs/dbraw/zinc/60/68/58/548606858.db2.gz WENAGCUIPSHBPG-CQSZACIVSA-N 1 1 364.475 2.010 10 5 FEBEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195265822 548606861 /nfs/dbraw/zinc/60/68/61/548606861.db2.gz WENAGCUIPSHBPG-CQSZACIVSA-N 1 1 364.475 2.010 10 5 FEBEMO Cc1c(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195368851 548631113 /nfs/dbraw/zinc/63/11/13/548631113.db2.gz ZDOSLJZGZVJWIO-CYBMUJFWSA-N 1 1 362.386 2.430 10 5 FEBEMO Cc1c(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195368851 548631118 /nfs/dbraw/zinc/63/11/18/548631118.db2.gz ZDOSLJZGZVJWIO-CYBMUJFWSA-N 1 1 362.386 2.430 10 5 FEBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000245638863 548963092 /nfs/dbraw/zinc/96/30/92/548963092.db2.gz APXABNLNLVNCAN-UKRRQHHQSA-N 1 1 357.414 2.239 10 5 FEBEMO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246086645 549048947 /nfs/dbraw/zinc/04/89/47/549048947.db2.gz FKWBGJOCKPFVJW-ZIAGYGMSSA-N 1 1 372.429 2.413 10 5 FEBEMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246086645 549048952 /nfs/dbraw/zinc/04/89/52/549048952.db2.gz FKWBGJOCKPFVJW-ZIAGYGMSSA-N 1 1 372.429 2.413 10 5 FEBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000248544041 549455249 /nfs/dbraw/zinc/45/52/49/549455249.db2.gz CVZVZCIJPVMPQE-JSGCOSHPSA-N 1 1 350.394 2.231 10 5 FEBEMO Cc1cc(C)c(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249122930 549556470 /nfs/dbraw/zinc/55/64/70/549556470.db2.gz XBABGVNRILIZPX-KGLIPLIRSA-N 1 1 355.460 2.219 10 5 FEBEMO CCOCC[N@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1CC ZINC000110560576 543361211 /nfs/dbraw/zinc/36/12/11/543361211.db2.gz LDGCJESVRUXBLN-GFCCVEGCSA-N 1 1 353.448 2.241 10 5 FEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134803673 544322048 /nfs/dbraw/zinc/32/20/48/544322048.db2.gz AISFRFNSKFMQEB-AWEZNQCLSA-N 1 1 357.414 2.337 10 5 FEBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 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1 1 362.430 2.102 10 5 FEBEMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000173883296 327291149 /nfs/dbraw/zinc/29/11/49/327291149.db2.gz JABFRDAESSXNAT-SWLSCSKDSA-N 1 1 355.460 2.164 10 5 FEBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177975075 327556323 /nfs/dbraw/zinc/55/63/23/327556323.db2.gz MWZIGEDPEVBJAF-OAHLLOKOSA-N 1 1 371.397 2.038 10 5 FEBEMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000176298525 546429619 /nfs/dbraw/zinc/42/96/19/546429619.db2.gz JZDLQEXQDMNIHQ-CYBMUJFWSA-N 1 1 368.231 2.206 10 5 FEBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000177212479 546571972 /nfs/dbraw/zinc/57/19/72/546571972.db2.gz GFOBALRDNSVFBR-ZDUSSCGKSA-N 1 1 359.342 2.313 10 5 FEBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000246475279 549141899 /nfs/dbraw/zinc/14/18/99/549141899.db2.gz WMHWBQOZUCOQFK-ZYHUDNBSSA-N 1 1 361.851 2.255 10 5 FEBEMO CC[C@@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246943776 549247909 /nfs/dbraw/zinc/24/79/09/549247909.db2.gz RVVHTRLWJYIMRO-QWHCGFSZSA-N 1 1 367.471 2.234 10 5 FEBEMO CC[C@@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000246943776 549247912 /nfs/dbraw/zinc/24/79/12/549247912.db2.gz RVVHTRLWJYIMRO-QWHCGFSZSA-N 1 1 367.471 2.234 10 5 FEBEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000246968939 549254269 /nfs/dbraw/zinc/25/42/69/549254269.db2.gz FZKSLDNPNWLTEA-SUMWQHHRSA-N 1 1 357.414 2.239 10 5 FEBEMO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1OC ZINC000113230537 543478530 /nfs/dbraw/zinc/47/85/30/543478530.db2.gz YHAPAJXGRBTAQX-QWHCGFSZSA-N 1 1 363.414 2.311 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000135462046 544348055 /nfs/dbraw/zinc/34/80/55/544348055.db2.gz JBJKYOFSPOLHRC-GFCCVEGCSA-N 1 1 355.822 2.431 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000135462046 544348057 /nfs/dbraw/zinc/34/80/57/544348057.db2.gz JBJKYOFSPOLHRC-GFCCVEGCSA-N 1 1 355.822 2.431 10 5 FEBEMO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]Cc2ccc(Br)o2)cc1 ZINC000191081963 328249131 /nfs/dbraw/zinc/24/91/31/328249131.db2.gz NWIJTVXUSRYECB-OCCSQVGLSA-N 1 1 371.187 2.134 10 5 FEBEMO Cn1cc([C@H]2CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cn1 ZINC000116313239 326005335 /nfs/dbraw/zinc/00/53/35/326005335.db2.gz CIYGOIURBQXXNI-ZDUSSCGKSA-N 1 1 354.370 2.368 10 5 FEBEMO Cn1cc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cn1 ZINC000116323954 326006658 /nfs/dbraw/zinc/00/66/58/326006658.db2.gz UNHNKAOUBLEBMA-LLVKDONJSA-N 1 1 363.805 2.410 10 5 FEBEMO Cn1cc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cn1 ZINC000116323954 326006662 /nfs/dbraw/zinc/00/66/62/326006662.db2.gz UNHNKAOUBLEBMA-LLVKDONJSA-N 1 1 363.805 2.410 10 5 FEBEMO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195058216 548569914 /nfs/dbraw/zinc/56/99/14/548569914.db2.gz PCIYMEIDVHTBGP-QGZVFWFLSA-N 1 1 355.398 2.091 10 5 FEBEMO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195058216 548569917 /nfs/dbraw/zinc/56/99/17/548569917.db2.gz PCIYMEIDVHTBGP-QGZVFWFLSA-N 1 1 355.398 2.091 10 5 FEBEMO O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000195505392 548651478 /nfs/dbraw/zinc/65/14/78/548651478.db2.gz SMEMTJSLNQYONQ-UHFFFAOYSA-N 1 1 355.398 2.087 10 5 FEBEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000245459893 548925822 /nfs/dbraw/zinc/92/58/22/548925822.db2.gz DTDFNDNRJKDPSH-UKRRQHHQSA-N 1 1 364.446 2.347 10 5 FEBEMO O=C1[C@@H]([N@@H+]2CC[C@@H](Oc3cccnc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246767945 549208195 /nfs/dbraw/zinc/20/81/95/549208195.db2.gz QIAJHOHVGJXJAQ-MSOLQXFVSA-N 1 1 368.393 2.248 10 5 FEBEMO O=C1[C@@H]([N@H+]2CC[C@@H](Oc3cccnc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246767945 549208197 /nfs/dbraw/zinc/20/81/97/549208197.db2.gz QIAJHOHVGJXJAQ-MSOLQXFVSA-N 1 1 368.393 2.248 10 5 FEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000113271962 670882817 /nfs/dbraw/zinc/88/28/17/670882817.db2.gz QYAAYKVVISRKRZ-DGCLKSJQSA-N 1 1 352.822 2.355 10 5 FEBEMO O=[N+]([O-])c1ccccc1CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000106205719 543218316 /nfs/dbraw/zinc/21/83/16/543218316.db2.gz UPTRLOMHZATMAP-GOSISDBHSA-N 1 1 371.437 2.152 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000117280163 543625835 /nfs/dbraw/zinc/62/58/35/543625835.db2.gz XKNADEAYDDSTFT-ZDUSSCGKSA-N 1 1 367.471 2.500 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000117280163 543625837 /nfs/dbraw/zinc/62/58/37/543625837.db2.gz XKNADEAYDDSTFT-ZDUSSCGKSA-N 1 1 367.471 2.500 10 5 FEBEMO CN(CC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125581245 543890127 /nfs/dbraw/zinc/89/01/27/543890127.db2.gz OQHQVDKCHYYOAF-CYBMUJFWSA-N 1 1 355.460 2.309 10 5 FEBEMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000140501465 544408982 /nfs/dbraw/zinc/40/89/82/544408982.db2.gz LFKWDMZQVSBORL-DNVCBOLYSA-N 1 1 359.426 2.111 10 5 FEBEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000140501465 544408984 /nfs/dbraw/zinc/40/89/84/544408984.db2.gz LFKWDMZQVSBORL-DNVCBOLYSA-N 1 1 359.426 2.111 10 5 FEBEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192551516 328325298 /nfs/dbraw/zinc/32/52/98/328325298.db2.gz CYFBJEIIECJPCT-UHFFFAOYSA-N 1 1 356.448 2.294 10 5 FEBEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192551516 328325299 /nfs/dbraw/zinc/32/52/99/328325299.db2.gz CYFBJEIIECJPCT-UHFFFAOYSA-N 1 1 356.448 2.294 10 5 FEBEMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000116317854 326006425 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ZINC000191890095 328286923 /nfs/dbraw/zinc/28/69/23/328286923.db2.gz GYJUGGYNQRDLLB-OAHLLOKOSA-N 1 1 365.430 2.095 10 5 FEBEMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000116317857 326006601 /nfs/dbraw/zinc/00/66/01/326006601.db2.gz WBMRRSFZPCECKG-KBPBESRZSA-N 1 1 357.414 2.453 10 5 FEBEMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000116317857 326006605 /nfs/dbraw/zinc/00/66/05/326006605.db2.gz WBMRRSFZPCECKG-KBPBESRZSA-N 1 1 357.414 2.453 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1CC ZINC000116770590 326033316 /nfs/dbraw/zinc/03/33/16/326033316.db2.gz CYSQUKDEUYFFTC-OAHLLOKOSA-N 1 1 365.430 2.176 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1CC ZINC000116770590 326033317 /nfs/dbraw/zinc/03/33/17/326033317.db2.gz CYSQUKDEUYFFTC-OAHLLOKOSA-N 1 1 365.430 2.176 10 5 FEBEMO COc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c([N+](=O)[O-])cc1OC ZINC000119528384 326172319 /nfs/dbraw/zinc/17/23/19/326172319.db2.gz HMGISESDTDMOBT-CYBMUJFWSA-N 1 1 365.430 2.462 10 5 FEBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171705411 327156528 /nfs/dbraw/zinc/15/65/28/327156528.db2.gz LQHFAVJNXOZSRJ-OAHLLOKOSA-N 1 1 358.402 2.160 10 5 FEBEMO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+]1C[C@@H](C)O ZINC000174733356 327346783 /nfs/dbraw/zinc/34/67/83/327346783.db2.gz PNZSXFSATBIODT-NEPJUHHUSA-N 1 1 359.373 2.478 10 5 FEBEMO CC[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000176183882 546417522 /nfs/dbraw/zinc/41/75/22/546417522.db2.gz HTJZFKFZBSHYLT-IAGOWNOFSA-N 1 1 364.446 2.456 10 5 FEBEMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176219511 546420565 /nfs/dbraw/zinc/42/05/65/546420565.db2.gz ZKRCDIRSDICYRI-CYBMUJFWSA-N 1 1 353.423 2.171 10 5 FEBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000177381762 546605039 /nfs/dbraw/zinc/60/50/39/546605039.db2.gz MORFBKBVRFDRLV-OAHLLOKOSA-N 1 1 350.419 2.229 10 5 FEBEMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000246904892 549240266 /nfs/dbraw/zinc/24/02/66/549240266.db2.gz HCSANKXBZXJSDU-QWHCGFSZSA-N 1 1 373.413 2.153 10 5 FEBEMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000246904892 549240267 /nfs/dbraw/zinc/24/02/67/549240267.db2.gz HCSANKXBZXJSDU-QWHCGFSZSA-N 1 1 373.413 2.153 10 5 FEBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000248373004 549423535 /nfs/dbraw/zinc/42/35/35/549423535.db2.gz FKUCNAUIRRWRGC-JKSUJKDBSA-N 1 1 372.425 2.164 10 5 FEBEMO Cc1cnn([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000248374357 549423773 /nfs/dbraw/zinc/42/37/73/549423773.db2.gz PTQQEINJZKVZBE-JKSUJKDBSA-N 1 1 360.414 2.177 10 5 FEBEMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000027962532 539821521 /nfs/dbraw/zinc/82/15/21/539821521.db2.gz ZVNOKUWFMRHRGR-HNNXBMFYSA-N 1 1 363.439 2.484 10 5 FEBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106185213 543214443 /nfs/dbraw/zinc/21/44/43/543214443.db2.gz RHIHEISQPYPCIX-UHFFFAOYSA-N 1 1 357.414 2.450 10 5 FEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000113306245 543483928 /nfs/dbraw/zinc/48/39/28/543483928.db2.gz OQCVLGHJVDULDD-CMPLNLGQSA-N 1 1 359.835 2.105 10 5 FEBEMO CC[C@@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000117303957 543629047 /nfs/dbraw/zinc/62/90/47/543629047.db2.gz FXRPCEHJMVQBOV-CYBMUJFWSA-N 1 1 367.471 2.500 10 5 FEBEMO CC[C@@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000117303957 543629049 /nfs/dbraw/zinc/62/90/49/543629049.db2.gz FXRPCEHJMVQBOV-CYBMUJFWSA-N 1 1 367.471 2.500 10 5 FEBEMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000137039216 544383383 /nfs/dbraw/zinc/38/33/83/544383383.db2.gz XHVBKNPKEYTMJF-SJORKVTESA-N 1 1 357.414 2.019 10 5 FEBEMO COCC[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000153542345 544788793 /nfs/dbraw/zinc/78/87/93/544788793.db2.gz MFLPZTXJYFNPMZ-AWEZNQCLSA-N 1 1 360.414 2.402 10 5 FEBEMO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[N@H+]1CCOC ZINC000162516251 327027538 /nfs/dbraw/zinc/02/75/38/327027538.db2.gz JNCMTSBKPSNGRZ-CQSZACIVSA-N 1 1 350.419 2.478 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000163011175 327040430 /nfs/dbraw/zinc/04/04/30/327040430.db2.gz SQHQMDVMVMPGAU-AWEZNQCLSA-N 1 1 350.419 2.478 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000163011175 327040431 /nfs/dbraw/zinc/04/04/31/327040431.db2.gz SQHQMDVMVMPGAU-AWEZNQCLSA-N 1 1 350.419 2.478 10 5 FEBEMO CN(C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000171643802 327150807 /nfs/dbraw/zinc/15/08/07/327150807.db2.gz IDDFABROBBAKQX-OAHLLOKOSA-N 1 1 369.425 2.387 10 5 FEBEMO CN(C(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000171643802 327150808 /nfs/dbraw/zinc/15/08/08/327150808.db2.gz IDDFABROBBAKQX-OAHLLOKOSA-N 1 1 369.425 2.387 10 5 FEBEMO CCc1csc([C@@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000173365565 327252292 /nfs/dbraw/zinc/25/22/92/327252292.db2.gz JLQUMAOWMJXJDG-DOMZBBRYSA-N 1 1 365.459 2.051 10 5 FEBEMO CC[C@@H](NC(=O)N1CC[NH+](CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176694416 327470424 /nfs/dbraw/zinc/47/04/24/327470424.db2.gz FWDKCJSKXIMWJM-MRXNPFEDSA-N 1 1 350.419 2.020 10 5 FEBEMO Cc1c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000161326464 546120169 /nfs/dbraw/zinc/12/01/69/546120169.db2.gz JJHCPLCXMXLALW-IINYFYTJSA-N 1 1 350.375 2.270 10 5 FEBEMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176219498 546420545 /nfs/dbraw/zinc/42/05/45/546420545.db2.gz ZKRCDIRSDICYRI-ZDUSSCGKSA-N 1 1 353.423 2.171 10 5 FEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000177028116 546526249 /nfs/dbraw/zinc/52/62/49/546526249.db2.gz QGJSIYWYYJZZHY-INIZCTEOSA-N 1 1 372.429 2.040 10 5 FEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000177039641 546529540 /nfs/dbraw/zinc/52/95/40/546529540.db2.gz PBBRBRDKQSDBIT-LBPRGKRZSA-N 1 1 351.403 2.168 10 5 FEBEMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000178314406 546774193 /nfs/dbraw/zinc/77/41/93/546774193.db2.gz FFBCMTLMEFRADL-LBPRGKRZSA-N 1 1 354.204 2.278 10 5 FEBEMO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000178752108 546844554 /nfs/dbraw/zinc/84/45/54/546844554.db2.gz XBSDKRJKMQBBNZ-QGZVFWFLSA-N 1 1 369.425 2.153 10 5 FEBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000180837103 547190275 /nfs/dbraw/zinc/19/02/75/547190275.db2.gz LWTHNNMQMLGBCW-DOTOQJQBSA-N 1 1 358.442 2.043 10 5 FEBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000182750071 547546702 /nfs/dbraw/zinc/54/67/02/547546702.db2.gz AIBPAOKOBKSYSW-CQSZACIVSA-N 1 1 367.413 2.224 10 5 FEBEMO Cc1cc(NC[C@H](C)[NH+]2CCN(C)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301225168 553632949 /nfs/dbraw/zinc/63/29/49/553632949.db2.gz FSTJNUHZJWPSQM-HNNXBMFYSA-N 1 1 370.457 2.408 10 5 FEBEMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000030325956 539879705 /nfs/dbraw/zinc/87/97/05/539879705.db2.gz BSMJJRGSFDCQAD-INIZCTEOSA-N 1 1 363.439 2.484 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000117279032 543626258 /nfs/dbraw/zinc/62/62/58/543626258.db2.gz IYBVNYAQPLGJRA-CYBMUJFWSA-N 1 1 367.471 2.500 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000117279032 543626260 /nfs/dbraw/zinc/62/62/60/543626260.db2.gz IYBVNYAQPLGJRA-CYBMUJFWSA-N 1 1 367.471 2.500 10 5 FEBEMO NS(=O)(=O)c1ccc(NCCC[N@@H+](C2CC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000116883470 543618236 /nfs/dbraw/zinc/61/82/36/543618236.db2.gz VFSOEGDYNBFPMW-UHFFFAOYSA-N 1 1 368.459 2.061 10 5 FEBEMO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000154541458 544918866 /nfs/dbraw/zinc/91/88/66/544918866.db2.gz CPNVEEUXCHABQN-QZTJIDSGSA-N 1 1 369.425 2.370 10 5 FEBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000190668966 328223474 /nfs/dbraw/zinc/22/34/74/328223474.db2.gz TVSZYQSHBBRSKT-OAHLLOKOSA-N 1 1 369.425 2.166 10 5 FEBEMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1OC ZINC000155484568 545532344 /nfs/dbraw/zinc/53/23/44/545532344.db2.gz TVIAWXWNTVSNGG-JSGCOSHPSA-N 1 1 365.430 2.461 10 5 FEBEMO CCOc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000155681387 545557767 /nfs/dbraw/zinc/55/77/67/545557767.db2.gz RJCDNEOUPOHTCP-JSGCOSHPSA-N 1 1 365.430 2.461 10 5 FEBEMO CCOCC[NH+]1CCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000176692236 546477344 /nfs/dbraw/zinc/47/73/44/546477344.db2.gz RATZPFOUKWXBFI-QGZVFWFLSA-N 1 1 364.446 2.410 10 5 FEBEMO Cc1cc(Cl)c(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000176701782 546478422 /nfs/dbraw/zinc/47/84/22/546478422.db2.gz FTWJRAVJQWCCCT-LLVKDONJSA-N 1 1 359.835 2.025 10 5 FEBEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000178752788 546844525 /nfs/dbraw/zinc/84/45/25/546844525.db2.gz RISUMSLVTWHWSG-KRWDZBQOSA-N 1 1 357.414 2.227 10 5 FEBEMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000246864679 549231276 /nfs/dbraw/zinc/23/12/76/549231276.db2.gz LFKWDMZQVSBORL-HNAYVOBHSA-N 1 1 359.426 2.111 10 5 FEBEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000246864679 549231281 /nfs/dbraw/zinc/23/12/81/549231281.db2.gz LFKWDMZQVSBORL-HNAYVOBHSA-N 1 1 359.426 2.111 10 5 FEBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000247052507 549273542 /nfs/dbraw/zinc/27/35/42/549273542.db2.gz WNZNYMHNPNKKTJ-YJBOKZPZSA-N 1 1 369.425 2.479 10 5 FEBEMO COCC[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000117436129 670916034 /nfs/dbraw/zinc/91/60/34/670916034.db2.gz SUARMNCVPFZFNM-LLVKDONJSA-N 1 1 356.810 2.433 10 5 FEBEMO COCC[N@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000117436129 670916041 /nfs/dbraw/zinc/91/60/41/670916041.db2.gz SUARMNCVPFZFNM-LLVKDONJSA-N 1 1 356.810 2.433 10 5 FEBEMO CCOC(=O)c1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247399663 549328780 /nfs/dbraw/zinc/32/87/80/549328780.db2.gz QYVTUSUMOCDJBJ-WBMJQRKESA-N 1 1 363.414 2.230 10 5 FEBEMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)n2)cc1 ZINC000106172583 543212142 /nfs/dbraw/zinc/21/21/42/543212142.db2.gz FZDAKMDAZZFXHQ-ZDUSSCGKSA-N 1 1 369.385 2.149 10 5 FEBEMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](Cn4cncn4)C3)n2)cc1 ZINC000106172583 543212145 /nfs/dbraw/zinc/21/21/45/543212145.db2.gz FZDAKMDAZZFXHQ-ZDUSSCGKSA-N 1 1 369.385 2.149 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000117040060 543621616 /nfs/dbraw/zinc/62/16/16/543621616.db2.gz GKSWWLWWKIJMLT-INIZCTEOSA-N 1 1 364.446 2.237 10 5 FEBEMO O=C(CCN1CC[N@H+]2CCCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129085540 544090030 /nfs/dbraw/zinc/09/00/30/544090030.db2.gz BJTHBVXVSSZZJT-CQSZACIVSA-N 1 1 350.394 2.233 10 5 FEBEMO O=C(CC[N@@H+]1CCN2CCCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129085540 544090033 /nfs/dbraw/zinc/09/00/33/544090033.db2.gz BJTHBVXVSSZZJT-CQSZACIVSA-N 1 1 350.394 2.233 10 5 FEBEMO O=C(CC[N@H+]1CCN2CCCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129085540 544090035 /nfs/dbraw/zinc/09/00/35/544090035.db2.gz BJTHBVXVSSZZJT-CQSZACIVSA-N 1 1 350.394 2.233 10 5 FEBEMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185812788 327934167 /nfs/dbraw/zinc/93/41/67/327934167.db2.gz QBNFXFXAAGVYQN-CQSZACIVSA-N 1 1 364.427 2.380 10 5 FEBEMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000190026496 328183266 /nfs/dbraw/zinc/18/32/66/328183266.db2.gz UYEQJLBCYMJAKS-KBPBESRZSA-N 1 1 355.460 2.219 10 5 FEBEMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000192823178 328341551 /nfs/dbraw/zinc/34/15/51/328341551.db2.gz YRXXTYNXMSKZOV-INIZCTEOSA-N 1 1 358.446 2.473 10 5 FEBEMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000046550096 324610719 /nfs/dbraw/zinc/61/07/19/324610719.db2.gz QJSFFBAPDVOBAA-GOSISDBHSA-N 1 1 371.437 2.295 10 5 FEBEMO COCC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000117397938 326059115 /nfs/dbraw/zinc/05/91/15/326059115.db2.gz YHKOCKXKZNTFQJ-NSHDSACASA-N 1 1 356.810 2.433 10 5 FEBEMO COCC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000117397938 326059118 /nfs/dbraw/zinc/05/91/18/326059118.db2.gz YHKOCKXKZNTFQJ-NSHDSACASA-N 1 1 356.810 2.433 10 5 FEBEMO CC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@H+]1CCOC ZINC000117433791 326060769 /nfs/dbraw/zinc/06/07/69/326060769.db2.gz WHBPUCVGVRIOCF-AWEZNQCLSA-N 1 1 350.419 2.478 10 5 FEBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000127643574 326510207 /nfs/dbraw/zinc/51/02/07/326510207.db2.gz KEGBNBWAAJKGBB-CJNGLKHVSA-N 1 1 362.430 2.396 10 5 FEBEMO CCn1cnnc1C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000152156972 326700318 /nfs/dbraw/zinc/70/03/18/326700318.db2.gz FPMCHZIWGLKOJD-ZDUSSCGKSA-N 1 1 372.429 2.413 10 5 FEBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171705402 327156297 /nfs/dbraw/zinc/15/62/97/327156297.db2.gz DDRSMWWOWNIFFA-OAHLLOKOSA-N 1 1 358.402 2.160 10 5 FEBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000173746216 327280807 /nfs/dbraw/zinc/28/08/07/327280807.db2.gz AUUPQGAYLJYYFH-AWEZNQCLSA-N 1 1 364.427 2.261 10 5 FEBEMO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177055447 546533583 /nfs/dbraw/zinc/53/35/83/546533583.db2.gz QHIAULKXWDJJHT-CYBMUJFWSA-N 1 1 362.430 2.261 10 5 FEBEMO COc1ccc(NC(=O)CN2CCC[C@H]2Cn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000178746642 546842491 /nfs/dbraw/zinc/84/24/91/546842491.db2.gz IGIKFGOYHXPCQT-AWEZNQCLSA-N 1 1 373.413 2.211 10 5 FEBEMO CCc1nccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182239645 547459258 /nfs/dbraw/zinc/45/92/58/547459258.db2.gz WIXCQFHATYIWKT-CVEARBPZSA-N 1 1 374.441 2.431 10 5 FEBEMO COc1cc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])cc1F ZINC000184202416 547785540 /nfs/dbraw/zinc/78/55/40/547785540.db2.gz JMNHMUNCZLVPFN-CYBMUJFWSA-N 1 1 369.437 2.267 10 5 FEBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000246718830 549195426 /nfs/dbraw/zinc/19/54/26/549195426.db2.gz ABUFGFVNKSKCOU-UKRRQHHQSA-N 1 1 357.414 2.239 10 5 FEBEMO CC[C@H]1CN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000246967927 549254421 /nfs/dbraw/zinc/25/44/21/549254421.db2.gz DTDSVSDUQRXDML-ZBFHGGJFSA-N 1 1 364.446 2.408 10 5 FEBEMO Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247193591 549296963 /nfs/dbraw/zinc/29/69/63/549296963.db2.gz WRYVWPAGGPZHLW-DLBZAZTESA-N 1 1 360.414 2.004 10 5 FEBEMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1CCOC ZINC000117425679 670915552 /nfs/dbraw/zinc/91/55/52/670915552.db2.gz VGRIQDOBNDJANT-LBPRGKRZSA-N 1 1 355.822 2.431 10 5 FEBEMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1CCOC ZINC000117425679 670915560 /nfs/dbraw/zinc/91/55/60/670915560.db2.gz VGRIQDOBNDJANT-LBPRGKRZSA-N 1 1 355.822 2.431 10 5 FEBEMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000125469738 672012414 /nfs/dbraw/zinc/01/24/14/672012414.db2.gz CGOICLCRWFDOKT-NSHDSACASA-N 1 1 361.851 2.319 10 5 FEBEMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000125469738 672012418 /nfs/dbraw/zinc/01/24/18/672012418.db2.gz CGOICLCRWFDOKT-NSHDSACASA-N 1 1 361.851 2.319 10 5 FEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000113305486 543484020 /nfs/dbraw/zinc/48/40/20/543484020.db2.gz RMRVYINKSRHQRV-GHMZBOCLSA-N 1 1 359.835 2.105 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C[C@@H]1CC ZINC000116768270 543615462 /nfs/dbraw/zinc/61/54/62/543615462.db2.gz RMZJXCTZFCDAFY-AWEZNQCLSA-N 1 1 365.430 2.176 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C[C@@H]1CC ZINC000116768270 543615465 /nfs/dbraw/zinc/61/54/65/543615465.db2.gz RMZJXCTZFCDAFY-AWEZNQCLSA-N 1 1 365.430 2.176 10 5 FEBEMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000190026479 328183262 /nfs/dbraw/zinc/18/32/62/328183262.db2.gz UYEQJLBCYMJAKS-UONOGXRCSA-N 1 1 355.460 2.219 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000191888459 328286968 /nfs/dbraw/zinc/28/69/68/328286968.db2.gz JETKUJKWZXMIGD-CYBMUJFWSA-N 1 1 365.430 2.095 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000191888459 328286969 /nfs/dbraw/zinc/28/69/69/328286969.db2.gz JETKUJKWZXMIGD-CYBMUJFWSA-N 1 1 365.430 2.095 10 5 FEBEMO Cc1cc(C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000119867085 326206958 /nfs/dbraw/zinc/20/69/58/326206958.db2.gz HVAWZRLUIDUQMW-IBGZPJMESA-N 1 1 369.421 2.052 10 5 FEBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000127643072 326510166 /nfs/dbraw/zinc/51/01/66/326510166.db2.gz KEGBNBWAAJKGBB-CZUORRHYSA-N 1 1 362.430 2.396 10 5 FEBEMO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[N@H+]1CCOC ZINC000162516361 327027667 /nfs/dbraw/zinc/02/76/67/327027667.db2.gz JNCMTSBKPSNGRZ-AWEZNQCLSA-N 1 1 350.419 2.478 10 5 FEBEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000173235901 327243227 /nfs/dbraw/zinc/24/32/27/327243227.db2.gz PHSTYYYGIJIPKD-WDEREUQCSA-N 1 1 356.810 2.167 10 5 FEBEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000173235901 327243229 /nfs/dbraw/zinc/24/32/29/327243229.db2.gz PHSTYYYGIJIPKD-WDEREUQCSA-N 1 1 356.810 2.167 10 5 FEBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178747861 546843255 /nfs/dbraw/zinc/84/32/55/546843255.db2.gz PBZNITLVDZWRAX-HNNXBMFYSA-N 1 1 373.413 2.211 10 5 FEBEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000181920687 547404950 /nfs/dbraw/zinc/40/49/50/547404950.db2.gz URTACQVLHHIGRE-SJORKVTESA-N 1 1 364.446 2.144 10 5 FEBEMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1C ZINC000246096294 549050763 /nfs/dbraw/zinc/05/07/63/549050763.db2.gz HBERFADJPQEAFA-ZIAGYGMSSA-N 1 1 355.460 2.219 10 5 FEBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000246829726 549223266 /nfs/dbraw/zinc/22/32/66/549223266.db2.gz AOPCVVMUEBIZIN-HOTGVXAUSA-N 1 1 369.425 2.479 10 5 FEBEMO CC[C@@H]1CN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000246967888 549254704 /nfs/dbraw/zinc/25/47/04/549254704.db2.gz DTDSVSDUQRXDML-GDBMZVCRSA-N 1 1 364.446 2.408 10 5 FEBEMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000247337165 549321283 /nfs/dbraw/zinc/32/12/83/549321283.db2.gz XGXGAWUWZRPUAF-HNAYVOBHSA-N 1 1 359.426 2.111 10 5 FEBEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000247337165 549321286 /nfs/dbraw/zinc/32/12/86/549321286.db2.gz XGXGAWUWZRPUAF-HNAYVOBHSA-N 1 1 359.426 2.111 10 5 FEBEMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]21 ZINC000248564984 549458820 /nfs/dbraw/zinc/45/88/20/549458820.db2.gz DROVJGIRQSNMKN-BFHYXJOUSA-N 1 1 365.434 2.026 10 5 FEBEMO O=[N+]([O-])c1ccc(F)cc1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000302815301 553734429 /nfs/dbraw/zinc/73/44/29/553734429.db2.gz KUYMAQRSIRYFKQ-UHFFFAOYSA-N 1 1 360.393 2.148 10 5 FEBEMO COCC[N@H+]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@@H]1C ZINC000117322804 670914727 /nfs/dbraw/zinc/91/47/27/670914727.db2.gz RWIRPRQVPSPODZ-LBPRGKRZSA-N 1 1 366.443 2.482 10 5 FEBEMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000030325955 539879613 /nfs/dbraw/zinc/87/96/13/539879613.db2.gz BSMJJRGSFDCQAD-MRXNPFEDSA-N 1 1 363.439 2.484 10 5 FEBEMO O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000046062930 540240790 /nfs/dbraw/zinc/24/07/90/540240790.db2.gz INBACOYWFPSHPI-SFHVURJKSA-N 1 1 370.409 2.136 10 5 FEBEMO O=[N+]([O-])c1ccc(CC[NH+]2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000106096136 543195453 /nfs/dbraw/zinc/19/54/53/543195453.db2.gz UBPUMIFWQLDWTO-HXUWFJFHSA-N 1 1 355.438 2.489 10 5 FEBEMO CC[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C[C@@H](C)O ZINC000106101421 543197629 /nfs/dbraw/zinc/19/76/29/543197629.db2.gz SNBZTRSVAPMIGF-CVEARBPZSA-N 1 1 351.447 2.141 10 5 FEBEMO CC[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C[C@@H](C)O ZINC000106101421 543197630 /nfs/dbraw/zinc/19/76/30/543197630.db2.gz SNBZTRSVAPMIGF-CVEARBPZSA-N 1 1 351.447 2.141 10 5 FEBEMO CC[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C[C@@H](C)O ZINC000106101421 543197632 /nfs/dbraw/zinc/19/76/32/543197632.db2.gz SNBZTRSVAPMIGF-CVEARBPZSA-N 1 1 351.447 2.141 10 5 FEBEMO CCOc1ccnc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000106152252 543209415 /nfs/dbraw/zinc/20/94/15/543209415.db2.gz VGCLLSMEFKCRPV-UHFFFAOYSA-N 1 1 357.414 2.148 10 5 FEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000113305487 543483895 /nfs/dbraw/zinc/48/38/95/543483895.db2.gz RMRVYINKSRHQRV-WDEREUQCSA-N 1 1 359.835 2.105 10 5 FEBEMO C[C@@H](O)C[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000153538891 544788809 /nfs/dbraw/zinc/78/88/09/544788809.db2.gz WTZARLSZUMVUID-UONOGXRCSA-N 1 1 360.414 2.137 10 5 FEBEMO C[C@@H]1CCC[N@H+]1C1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 ZINC000154926891 544966329 /nfs/dbraw/zinc/96/63/29/544966329.db2.gz PDZBUFHIBKUGPT-CYBMUJFWSA-N 1 1 357.414 2.056 10 5 FEBEMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000116318599 326006454 /nfs/dbraw/zinc/00/64/54/326006454.db2.gz YRYNZNQIWWGDDR-CQSZACIVSA-N 1 1 357.414 2.455 10 5 FEBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000119406952 326158421 /nfs/dbraw/zinc/15/84/21/326158421.db2.gz KPHNZHKBCJYCCB-OAHLLOKOSA-N 1 1 363.414 2.023 10 5 FEBEMO Cc1cc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000172756540 327217202 /nfs/dbraw/zinc/21/72/02/327217202.db2.gz PRPPJIJYZPSDRH-SFHVURJKSA-N 1 1 371.437 2.465 10 5 FEBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173882783 327291211 /nfs/dbraw/zinc/29/12/11/327291211.db2.gz WMHWBQOZUCOQFK-PWSUYJOCSA-N 1 1 361.851 2.255 10 5 FEBEMO CC[C@H](NC(=O)N1CC[N@H+](CCOC)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176696415 546477108 /nfs/dbraw/zinc/47/71/08/546477108.db2.gz HJTJQHFSPJZUJA-PBHICJAKSA-N 1 1 364.446 2.408 10 5 FEBEMO CC[C@H](NC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176696415 546477113 /nfs/dbraw/zinc/47/71/13/546477113.db2.gz HJTJQHFSPJZUJA-PBHICJAKSA-N 1 1 364.446 2.408 10 5 FEBEMO CC[N@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177698666 546669940 /nfs/dbraw/zinc/66/99/40/546669940.db2.gz AZYSAEFZTVVEQM-AWEZNQCLSA-N 1 1 364.446 2.348 10 5 FEBEMO CCN1CCC[C@H]1C[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177698666 546669945 /nfs/dbraw/zinc/66/99/45/546669945.db2.gz AZYSAEFZTVVEQM-AWEZNQCLSA-N 1 1 364.446 2.348 10 5 FEBEMO CCN1CCC[C@H]1C[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177698666 546669948 /nfs/dbraw/zinc/66/99/48/546669948.db2.gz AZYSAEFZTVVEQM-AWEZNQCLSA-N 1 1 364.446 2.348 10 5 FEBEMO COCC[N@@H+]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000247194677 549297103 /nfs/dbraw/zinc/29/71/03/549297103.db2.gz SSLJHNIJFSRUOZ-ZIAGYGMSSA-N 1 1 350.419 2.018 10 5 FEBEMO COCC[N@H+]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000247194677 549297106 /nfs/dbraw/zinc/29/71/06/549297106.db2.gz SSLJHNIJFSRUOZ-ZIAGYGMSSA-N 1 1 350.419 2.018 10 5 FEBEMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000247331139 549319908 /nfs/dbraw/zinc/31/99/08/549319908.db2.gz WWDITVGUOJSDAY-SCLBCKFNSA-N 1 1 363.414 2.169 10 5 FEBEMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000247331139 549319913 /nfs/dbraw/zinc/31/99/13/549319913.db2.gz WWDITVGUOJSDAY-SCLBCKFNSA-N 1 1 363.414 2.169 10 5 FEBEMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000247567803 549359997 /nfs/dbraw/zinc/35/99/97/549359997.db2.gz WBMRRSFZPCECKG-ZIAGYGMSSA-N 1 1 357.414 2.453 10 5 FEBEMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000247567803 549360001 /nfs/dbraw/zinc/36/00/01/549360001.db2.gz WBMRRSFZPCECKG-ZIAGYGMSSA-N 1 1 357.414 2.453 10 5 FEBEMO CC[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C[C@H](C)O ZINC000247805240 549381773 /nfs/dbraw/zinc/38/17/73/549381773.db2.gz SNBZTRSVAPMIGF-HOTGVXAUSA-N 1 1 351.447 2.141 10 5 FEBEMO CC[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C[C@H](C)O ZINC000247805240 549381775 /nfs/dbraw/zinc/38/17/75/549381775.db2.gz SNBZTRSVAPMIGF-HOTGVXAUSA-N 1 1 351.447 2.141 10 5 FEBEMO CC[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C[C@H](C)O ZINC000247805240 549381778 /nfs/dbraw/zinc/38/17/78/549381778.db2.gz SNBZTRSVAPMIGF-HOTGVXAUSA-N 1 1 351.447 2.141 10 5 FEBEMO O=C(CCN1CC[N@H+]2CCCC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000249084985 549548135 /nfs/dbraw/zinc/54/81/35/549548135.db2.gz BJTHBVXVSSZZJT-AWEZNQCLSA-N 1 1 350.394 2.233 10 5 FEBEMO O=C(CC[N@@H+]1CCN2CCCC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000249084985 549548139 /nfs/dbraw/zinc/54/81/39/549548139.db2.gz BJTHBVXVSSZZJT-AWEZNQCLSA-N 1 1 350.394 2.233 10 5 FEBEMO O=C(CC[N@H+]1CCN2CCCC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000249084985 549548142 /nfs/dbraw/zinc/54/81/42/549548142.db2.gz BJTHBVXVSSZZJT-AWEZNQCLSA-N 1 1 350.394 2.233 10 5 FEBEMO CCOc1cccc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1[N+](=O)[O-] ZINC000273852775 550513700 /nfs/dbraw/zinc/51/37/00/550513700.db2.gz KJGXLBURQNVWBU-UHFFFAOYSA-N 1 1 359.430 2.439 10 5 FEBEMO Cc1ccc(N2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000106072166 543189564 /nfs/dbraw/zinc/18/95/64/543189564.db2.gz NWHGIVDVWDJQOQ-UHFFFAOYSA-N 1 1 357.414 2.284 10 5 FEBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000106078655 543191853 /nfs/dbraw/zinc/19/18/53/543191853.db2.gz OYTSVDGROGNISO-INIZCTEOSA-N 1 1 357.414 2.494 10 5 FEBEMO Cc1nn(C)c(C)c1CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000106142265 543207859 /nfs/dbraw/zinc/20/78/59/543207859.db2.gz SZXMJGKYHFYXCZ-UHFFFAOYSA-N 1 1 357.458 2.305 10 5 FEBEMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1OC ZINC000247455107 549336660 /nfs/dbraw/zinc/33/66/60/549336660.db2.gz TVIAWXWNTVSNGG-OCCSQVGLSA-N 1 1 365.430 2.461 10 5 FEBEMO Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000115633947 543578206 /nfs/dbraw/zinc/57/82/06/543578206.db2.gz FPCJIYFMKDBORE-UHFFFAOYSA-N 1 1 358.402 2.068 10 5 FEBEMO Cn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000115633947 543578211 /nfs/dbraw/zinc/57/82/11/543578211.db2.gz FPCJIYFMKDBORE-UHFFFAOYSA-N 1 1 358.402 2.068 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000117277687 543626333 /nfs/dbraw/zinc/62/63/33/543626333.db2.gz YLKDYDRXRNOGJJ-LBPRGKRZSA-N 1 1 355.822 2.431 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000117277687 543626335 /nfs/dbraw/zinc/62/63/35/543626335.db2.gz YLKDYDRXRNOGJJ-LBPRGKRZSA-N 1 1 355.822 2.431 10 5 FEBEMO CC[C@@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000117433719 543631197 /nfs/dbraw/zinc/63/11/97/543631197.db2.gz ZXPUDUMBRLZEDO-OAHLLOKOSA-N 1 1 350.419 2.478 10 5 FEBEMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000140372784 544408768 /nfs/dbraw/zinc/40/87/68/544408768.db2.gz XGXGAWUWZRPUAF-DNVCBOLYSA-N 1 1 359.426 2.111 10 5 FEBEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000140372784 544408771 /nfs/dbraw/zinc/40/87/71/544408771.db2.gz XGXGAWUWZRPUAF-DNVCBOLYSA-N 1 1 359.426 2.111 10 5 FEBEMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCOC ZINC000117302343 326056275 /nfs/dbraw/zinc/05/62/75/326056275.db2.gz UZHWPJFZEIXDQX-LBPRGKRZSA-N 1 1 355.822 2.431 10 5 FEBEMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCOC ZINC000117302343 326056277 /nfs/dbraw/zinc/05/62/77/326056277.db2.gz UZHWPJFZEIXDQX-LBPRGKRZSA-N 1 1 355.822 2.431 10 5 FEBEMO COCC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000117397935 326059354 /nfs/dbraw/zinc/05/93/54/326059354.db2.gz YHKOCKXKZNTFQJ-LLVKDONJSA-N 1 1 356.810 2.433 10 5 FEBEMO COCC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000117397935 326059357 /nfs/dbraw/zinc/05/93/57/326059357.db2.gz YHKOCKXKZNTFQJ-LLVKDONJSA-N 1 1 356.810 2.433 10 5 FEBEMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000171643523 327150662 /nfs/dbraw/zinc/15/06/62/327150662.db2.gz FWGBSLISURQAQG-WBVHZDCISA-N 1 1 372.425 2.164 10 5 FEBEMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172542552 327207221 /nfs/dbraw/zinc/20/72/21/327207221.db2.gz MCRSMKVLFZYJCY-LLVKDONJSA-N 1 1 354.204 2.278 10 5 FEBEMO CC[C@H]1CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000174597603 327337263 /nfs/dbraw/zinc/33/72/63/327337263.db2.gz ZZXXKRWOTVAEOH-OCCSQVGLSA-N 1 1 367.471 2.234 10 5 FEBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000175048277 327370584 /nfs/dbraw/zinc/37/05/84/327370584.db2.gz AENMBICFFUXMSC-UKRRQHHQSA-N 1 1 362.430 2.101 10 5 FEBEMO CC[N@H+]1CCC[C@@H]1CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000177694809 546668912 /nfs/dbraw/zinc/66/89/12/546668912.db2.gz WQQBOXGKTZEYHN-OAHLLOKOSA-N 1 1 364.446 2.348 10 5 FEBEMO CCN1CCC[C@@H]1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000177694809 546668916 /nfs/dbraw/zinc/66/89/16/546668916.db2.gz WQQBOXGKTZEYHN-OAHLLOKOSA-N 1 1 364.446 2.348 10 5 FEBEMO CCN1CCC[C@@H]1C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000177694809 546668922 /nfs/dbraw/zinc/66/89/22/546668922.db2.gz WQQBOXGKTZEYHN-OAHLLOKOSA-N 1 1 364.446 2.348 10 5 FEBEMO CCOc1ccc(NC(=O)CN(C)C[C@@H]2CCC[N@H+]2CC)c([N+](=O)[O-])c1 ZINC000177705123 546671484 /nfs/dbraw/zinc/67/14/84/546671484.db2.gz DAPRSGLEWBBSKN-AWEZNQCLSA-N 1 1 364.446 2.348 10 5 FEBEMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000179659740 546994247 /nfs/dbraw/zinc/99/42/47/546994247.db2.gz NPNNAZLNCLMYNH-CQSZACIVSA-N 1 1 365.455 2.254 10 5 FEBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000180837081 547190361 /nfs/dbraw/zinc/19/03/61/547190361.db2.gz LWTHNNMQMLGBCW-NVXWUHKLSA-N 1 1 358.442 2.043 10 5 FEBEMO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193903225 548404582 /nfs/dbraw/zinc/40/45/82/548404582.db2.gz BUJUWFSWSFQOJX-CYBMUJFWSA-N 1 1 366.418 2.028 10 5 FEBEMO COCC[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000246816659 549219938 /nfs/dbraw/zinc/21/99/38/549219938.db2.gz AJXNFDIOQYKIRG-GJZGRUSLSA-N 1 1 364.446 2.326 10 5 FEBEMO COCC[N@H+]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000246816659 549219941 /nfs/dbraw/zinc/21/99/41/549219941.db2.gz AJXNFDIOQYKIRG-GJZGRUSLSA-N 1 1 364.446 2.326 10 5 FEBEMO CCOc1ccc(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000246832452 549223312 /nfs/dbraw/zinc/22/33/12/549223312.db2.gz CULJGNJCELSSSA-KGLIPLIRSA-N 1 1 362.430 2.101 10 5 FEBEMO CCc1nccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246935478 549245312 /nfs/dbraw/zinc/24/53/12/549245312.db2.gz AVIOAAAZELECLD-DLBZAZTESA-N 1 1 374.441 2.431 10 5 FEBEMO COCC[N@@H+]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000247194666 549296937 /nfs/dbraw/zinc/29/69/37/549296937.db2.gz SSLJHNIJFSRUOZ-UONOGXRCSA-N 1 1 350.419 2.018 10 5 FEBEMO COCC[N@H+]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000247194666 549296939 /nfs/dbraw/zinc/29/69/39/549296939.db2.gz SSLJHNIJFSRUOZ-UONOGXRCSA-N 1 1 350.419 2.018 10 5 FEBEMO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000246172655 672832051 /nfs/dbraw/zinc/83/20/51/672832051.db2.gz SHNFOHWXAMOBAV-VXGBXAGGSA-N 1 1 373.862 2.414 10 5 FEBEMO Cc1ccc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000030499662 539882767 /nfs/dbraw/zinc/88/27/67/539882767.db2.gz FDCHBPJAMRGVGE-INIZCTEOSA-N 1 1 363.439 2.484 10 5 FEBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000247409282 549330325 /nfs/dbraw/zinc/33/03/25/549330325.db2.gz PZJZQRPXPXTNFY-YPMHNXCESA-N 1 1 352.822 2.355 10 5 FEBEMO CCCC(=O)N[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000101563995 543033242 /nfs/dbraw/zinc/03/32/42/543033242.db2.gz KOFBUAZPTGYZBZ-HNNXBMFYSA-N 1 1 362.430 2.304 10 5 FEBEMO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000103477786 543111370 /nfs/dbraw/zinc/11/13/70/543111370.db2.gz FKWBGJOCKPFVJW-KBPBESRZSA-N 1 1 372.429 2.413 10 5 FEBEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000103477786 543111371 /nfs/dbraw/zinc/11/13/71/543111371.db2.gz FKWBGJOCKPFVJW-KBPBESRZSA-N 1 1 372.429 2.413 10 5 FEBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000113306201 543483728 /nfs/dbraw/zinc/48/37/28/543483728.db2.gz JVJANFYGKBJNGL-ZYHUDNBSSA-N 1 1 359.835 2.105 10 5 FEBEMO CC[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000135463084 544347958 /nfs/dbraw/zinc/34/79/58/544347958.db2.gz KNPOFXODFVBTDY-AWEZNQCLSA-N 1 1 355.822 2.431 10 5 FEBEMO CC[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000135463084 544347959 /nfs/dbraw/zinc/34/79/59/544347959.db2.gz KNPOFXODFVBTDY-AWEZNQCLSA-N 1 1 355.822 2.431 10 5 FEBEMO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1N1CCOCC1 ZINC000119382924 326156231 /nfs/dbraw/zinc/15/62/31/326156231.db2.gz HJWBKQRIYGEDPT-KSSFIOAISA-N 1 1 372.425 2.402 10 5 FEBEMO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1N1CCOCC1 ZINC000119382924 326156234 /nfs/dbraw/zinc/15/62/34/326156234.db2.gz HJWBKQRIYGEDPT-KSSFIOAISA-N 1 1 372.425 2.402 10 5 FEBEMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173743172 327280560 /nfs/dbraw/zinc/28/05/60/327280560.db2.gz DUEQQVZWAHSOEF-CYBMUJFWSA-N 1 1 368.390 2.092 10 5 FEBEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C1 ZINC000155525881 545537789 /nfs/dbraw/zinc/53/77/89/545537789.db2.gz FZKSLDNPNWLTEA-GUYCJALGSA-N 1 1 357.414 2.239 10 5 FEBEMO COc1cc(OCC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000177196351 546566901 /nfs/dbraw/zinc/56/69/01/546566901.db2.gz MZKDXEDDYAZMML-CQSZACIVSA-N 1 1 374.397 2.178 10 5 FEBEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000177203985 546570168 /nfs/dbraw/zinc/57/01/68/546570168.db2.gz ABUFGFVNKSKCOU-ZFWWWQNUSA-N 1 1 357.414 2.239 10 5 FEBEMO C[C@H](O)C[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000245782714 548993320 /nfs/dbraw/zinc/99/33/20/548993320.db2.gz UOLHXVOYMAHELU-RYUDHWBXSA-N 1 1 359.373 2.083 10 5 FEBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245916630 549018138 /nfs/dbraw/zinc/01/81/38/549018138.db2.gz WFXWVYXGJISKGI-GJZGRUSLSA-N 1 1 369.425 2.479 10 5 FEBEMO CCOC(=O)c1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000246752596 549204617 /nfs/dbraw/zinc/20/46/17/549204617.db2.gz AFWNMUOQTRUTRQ-DOMZBBRYSA-N 1 1 361.398 2.080 10 5 FEBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000246995962 549260138 /nfs/dbraw/zinc/26/01/38/549260138.db2.gz GQSTUJBBTKYINH-CXAGYDPISA-N 1 1 357.414 2.239 10 5 FEBEMO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000176709353 672376427 /nfs/dbraw/zinc/37/64/27/672376427.db2.gz SHNFOHWXAMOBAV-NWDGAFQWSA-N 1 1 373.862 2.414 10 5 FEBEMO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075711612 542199883 /nfs/dbraw/zinc/19/98/83/542199883.db2.gz XXFHARSNDVPYRU-IRXDYDNUSA-N 1 1 360.414 2.004 10 5 FEBEMO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075711612 542199884 /nfs/dbraw/zinc/19/98/84/542199884.db2.gz XXFHARSNDVPYRU-IRXDYDNUSA-N 1 1 360.414 2.004 10 5 FEBEMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000098117568 543021903 /nfs/dbraw/zinc/02/19/03/543021903.db2.gz VWGHUHQXHVGZFL-GFCCVEGCSA-N 1 1 355.441 2.238 10 5 FEBEMO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000103476653 543110573 /nfs/dbraw/zinc/11/05/73/543110573.db2.gz ILNPCDKOMFPBEI-AWEZNQCLSA-N 1 1 372.429 2.049 10 5 FEBEMO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000103476653 543110575 /nfs/dbraw/zinc/11/05/75/543110575.db2.gz ILNPCDKOMFPBEI-AWEZNQCLSA-N 1 1 372.429 2.049 10 5 FEBEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000103478089 543111317 /nfs/dbraw/zinc/11/13/17/543111317.db2.gz MYKMTXLDNVRTPZ-CYBMUJFWSA-N 1 1 373.413 2.452 10 5 FEBEMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247507626 549347518 /nfs/dbraw/zinc/34/75/18/549347518.db2.gz YDFOMRQWVGZZGO-SWLSCSKDSA-N 1 1 350.419 2.131 10 5 FEBEMO Cc1c(NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cccc1[N+](=O)[O-] ZINC000136721927 544378386 /nfs/dbraw/zinc/37/83/86/544378386.db2.gz DRZLEHQEZDHCIC-UHFFFAOYSA-N 1 1 372.429 2.377 10 5 FEBEMO Cc1c(NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cccc1[N+](=O)[O-] ZINC000136721927 544378388 /nfs/dbraw/zinc/37/83/88/544378388.db2.gz DRZLEHQEZDHCIC-UHFFFAOYSA-N 1 1 372.429 2.377 10 5 FEBEMO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000172756678 327217230 /nfs/dbraw/zinc/21/72/30/327217230.db2.gz CIRLVEGARVQWJB-QGZVFWFLSA-N 1 1 371.437 2.465 10 5 FEBEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000173235888 327243132 /nfs/dbraw/zinc/24/31/32/327243132.db2.gz PHSTYYYGIJIPKD-GHMZBOCLSA-N 1 1 356.810 2.167 10 5 FEBEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000173235888 327243133 /nfs/dbraw/zinc/24/31/33/327243133.db2.gz PHSTYYYGIJIPKD-GHMZBOCLSA-N 1 1 356.810 2.167 10 5 FEBEMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000173741857 327280411 /nfs/dbraw/zinc/28/04/11/327280411.db2.gz PUOODNBHWPECQV-OAHLLOKOSA-N 1 1 364.427 2.261 10 5 FEBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000173741872 327280593 /nfs/dbraw/zinc/28/05/93/327280593.db2.gz PUOODNBHWPECQV-HNNXBMFYSA-N 1 1 364.427 2.261 10 5 FEBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000175048297 327370554 /nfs/dbraw/zinc/37/05/54/327370554.db2.gz AENMBICFFUXMSC-DZGCQCFKSA-N 1 1 362.430 2.101 10 5 FEBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000175436576 327392895 /nfs/dbraw/zinc/39/28/95/327392895.db2.gz IUVIGMPILSCGHM-QWHCGFSZSA-N 1 1 363.414 2.311 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1C ZINC000155554435 545541809 /nfs/dbraw/zinc/54/18/09/545541809.db2.gz LNJSEQUDSDPTFQ-AWEZNQCLSA-N 1 1 372.425 2.326 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1C ZINC000155554435 545541813 /nfs/dbraw/zinc/54/18/13/545541813.db2.gz LNJSEQUDSDPTFQ-AWEZNQCLSA-N 1 1 372.425 2.326 10 5 FEBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000177660512 546661895 /nfs/dbraw/zinc/66/18/95/546661895.db2.gz SARJIHUTLSSUCN-OAHLLOKOSA-N 1 1 371.397 2.156 10 5 FEBEMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000179659758 546994147 /nfs/dbraw/zinc/99/41/47/546994147.db2.gz NPNNAZLNCLMYNH-AWEZNQCLSA-N 1 1 365.455 2.254 10 5 FEBEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000181920734 547405348 /nfs/dbraw/zinc/40/53/48/547405348.db2.gz URTACQVLHHIGRE-IAGOWNOFSA-N 1 1 364.446 2.144 10 5 FEBEMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000245680464 548973493 /nfs/dbraw/zinc/97/34/93/548973493.db2.gz ISLLVJAPIWFBLF-NSHDSACASA-N 1 1 359.835 2.025 10 5 FEBEMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1C ZINC000246096288 549051510 /nfs/dbraw/zinc/05/15/10/549051510.db2.gz HBERFADJPQEAFA-KGLIPLIRSA-N 1 1 355.460 2.219 10 5 FEBEMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+]1C[C@H](C)O ZINC000246215608 549080749 /nfs/dbraw/zinc/08/07/49/549080749.db2.gz PNZSXFSATBIODT-NWDGAFQWSA-N 1 1 359.373 2.478 10 5 FEBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246387188 549121988 /nfs/dbraw/zinc/12/19/88/549121988.db2.gz KIHKTPRICICJDL-QMTHXVAHSA-N 1 1 368.821 2.032 10 5 FEBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000247104984 549284169 /nfs/dbraw/zinc/28/41/69/549284169.db2.gz INXGVGUVWWYFAS-DYVFJYSZSA-N 1 1 355.398 2.089 10 5 FEBEMO C[C@@H]1CCC[N@H+]1C1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301810298 553681508 /nfs/dbraw/zinc/68/15/08/553681508.db2.gz ZBKFFYUOCGWCSA-CYBMUJFWSA-N 1 1 367.471 2.451 10 5 FEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000113305379 543483838 /nfs/dbraw/zinc/48/38/38/543483838.db2.gz SEXCWVXSOABXED-CMPLNLGQSA-N 1 1 359.835 2.105 10 5 FEBEMO CCn1cnnc1C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000152155428 544620444 /nfs/dbraw/zinc/62/04/44/544620444.db2.gz RROILABRNRWLKL-ZDUSSCGKSA-N 1 1 372.429 2.413 10 5 FEBEMO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000154541338 544919088 /nfs/dbraw/zinc/91/90/88/544919088.db2.gz CPNVEEUXCHABQN-ZWKOTPCHSA-N 1 1 369.425 2.370 10 5 FEBEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000191799896 328282759 /nfs/dbraw/zinc/28/27/59/328282759.db2.gz IOFIQRMFULEHHQ-UHFFFAOYSA-N 1 1 350.419 2.232 10 5 FEBEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000191799896 328282761 /nfs/dbraw/zinc/28/27/61/328282761.db2.gz IOFIQRMFULEHHQ-UHFFFAOYSA-N 1 1 350.419 2.232 10 5 FEBEMO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000191999583 328292917 /nfs/dbraw/zinc/29/29/17/328292917.db2.gz JVZJDWFTDYYVTQ-HNNXBMFYSA-N 1 1 365.430 2.235 10 5 FEBEMO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000191999583 328292918 /nfs/dbraw/zinc/29/29/18/328292918.db2.gz JVZJDWFTDYYVTQ-HNNXBMFYSA-N 1 1 365.430 2.235 10 5 FEBEMO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000191999583 328292919 /nfs/dbraw/zinc/29/29/19/328292919.db2.gz JVZJDWFTDYYVTQ-HNNXBMFYSA-N 1 1 365.430 2.235 10 5 FEBEMO CCn1cnnc1C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000152157047 326700381 /nfs/dbraw/zinc/70/03/81/326700381.db2.gz FPMCHZIWGLKOJD-CYBMUJFWSA-N 1 1 372.429 2.413 10 5 FEBEMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1SC ZINC000171480376 327142090 /nfs/dbraw/zinc/14/20/90/327142090.db2.gz GSMHEMFUZNRUCG-NSHDSACASA-N 1 1 351.428 2.246 10 5 FEBEMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000171705448 327156187 /nfs/dbraw/zinc/15/61/87/327156187.db2.gz IZUKXTGWLIDVPO-CQSZACIVSA-N 1 1 358.402 2.160 10 5 FEBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000175436552 327392989 /nfs/dbraw/zinc/39/29/89/327392989.db2.gz IUVIGMPILSCGHM-CHWSQXEVSA-N 1 1 363.414 2.311 10 5 FEBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000177157811 327502377 /nfs/dbraw/zinc/50/23/77/327502377.db2.gz QDOIFNWITAUTRP-OAHLLOKOSA-N 1 1 357.414 2.227 10 5 FEBEMO Cc1cnn([C@@H]2CCC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000247564816 549358915 /nfs/dbraw/zinc/35/89/15/549358915.db2.gz GKSOIRQEKWFYTN-IAGOWNOFSA-N 1 1 360.414 2.177 10 5 FEBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160272834 546025571 /nfs/dbraw/zinc/02/55/71/546025571.db2.gz LHUQXQFZYRQAFC-CQSZACIVSA-N 1 1 371.459 2.002 10 5 FEBEMO Cn1cc(C[N@H+]2CCC[C@H](n3cncn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179464322 546959693 /nfs/dbraw/zinc/95/96/93/546959693.db2.gz QKZIIRPAZMXZAY-KRWDZBQOSA-N 1 1 367.413 2.424 10 5 FEBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245731515 548984133 /nfs/dbraw/zinc/98/41/33/548984133.db2.gz CIDDZTWODQQZAY-KBPBESRZSA-N 1 1 355.398 2.089 10 5 FEBEMO COc1ccc(NC(=O)CCN2CC[N@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246246132 549087468 /nfs/dbraw/zinc/08/74/68/549087468.db2.gz VRKZZUMDICFYMA-AWEZNQCLSA-N 1 1 362.430 2.102 10 5 FEBEMO COc1ccc(NC(=O)CC[N@@H+]2CCN3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246246132 549087471 /nfs/dbraw/zinc/08/74/71/549087471.db2.gz VRKZZUMDICFYMA-AWEZNQCLSA-N 1 1 362.430 2.102 10 5 FEBEMO COc1ccc(NC(=O)CC[N@H+]2CCN3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246246132 549087474 /nfs/dbraw/zinc/08/74/74/549087474.db2.gz VRKZZUMDICFYMA-AWEZNQCLSA-N 1 1 362.430 2.102 10 5 FEBEMO COCC[N@@H+]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000246816676 549219479 /nfs/dbraw/zinc/21/94/79/549219479.db2.gz AJXNFDIOQYKIRG-LSDHHAIUSA-N 1 1 364.446 2.326 10 5 FEBEMO COCC[N@H+]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000246816676 549219483 /nfs/dbraw/zinc/21/94/83/549219483.db2.gz AJXNFDIOQYKIRG-LSDHHAIUSA-N 1 1 364.446 2.326 10 5 FEBEMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000248373003 549423998 /nfs/dbraw/zinc/42/39/98/549423998.db2.gz FKUCNAUIRRWRGC-HOTGVXAUSA-N 1 1 372.425 2.164 10 5 FEBEMO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[N@H+]1C[C@H](C)O ZINC000248995675 549537833 /nfs/dbraw/zinc/53/78/33/549537833.db2.gz LJGFGERNWZNBLB-KBPBESRZSA-N 1 1 350.419 2.212 10 5 FEBEMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000248060283 672854369 /nfs/dbraw/zinc/85/43/69/672854369.db2.gz YEWVSGZXZJFFIJ-VXGBXAGGSA-N 1 1 373.862 2.414 10 5 FEBEMO CCn1cc(C[N@@H+]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000109663115 543333278 /nfs/dbraw/zinc/33/32/78/543333278.db2.gz JKKUYYGQYNYUFE-UHFFFAOYSA-N 1 1 371.441 2.088 10 5 FEBEMO CCn1cc(C[N@H+]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000109663115 543333280 /nfs/dbraw/zinc/33/32/80/543333280.db2.gz JKKUYYGQYNYUFE-UHFFFAOYSA-N 1 1 371.441 2.088 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@@H]1CC ZINC000116768829 543615047 /nfs/dbraw/zinc/61/50/47/543615047.db2.gz MKHYAYXUMQBHEH-AWEZNQCLSA-N 1 1 365.430 2.176 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@@H]1CC ZINC000116768829 543615050 /nfs/dbraw/zinc/61/50/50/543615050.db2.gz MKHYAYXUMQBHEH-AWEZNQCLSA-N 1 1 365.430 2.176 10 5 FEBEMO C[NH+](C)C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000130741713 544162702 /nfs/dbraw/zinc/16/27/02/544162702.db2.gz MMBQUABZMPGGSQ-KRWDZBQOSA-N 1 1 363.439 2.317 10 5 FEBEMO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000135681321 544358723 /nfs/dbraw/zinc/35/87/23/544358723.db2.gz VGCZMIGLZZJWTG-CQSZACIVSA-N 1 1 355.398 2.091 10 5 FEBEMO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000135681321 544358725 /nfs/dbraw/zinc/35/87/25/544358725.db2.gz VGCZMIGLZZJWTG-CQSZACIVSA-N 1 1 355.398 2.091 10 5 FEBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000190509118 328212576 /nfs/dbraw/zinc/21/25/76/328212576.db2.gz YEWZKICHIFLWJR-OAHLLOKOSA-N 1 1 370.413 2.371 10 5 FEBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116322098 326006533 /nfs/dbraw/zinc/00/65/33/326006533.db2.gz BQBKYYWDRDYWFP-CQSZACIVSA-N 1 1 357.414 2.455 10 5 FEBEMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173742141 327280627 /nfs/dbraw/zinc/28/06/27/327280627.db2.gz WTPZBPMHPFWRLC-GFCCVEGCSA-N 1 1 368.390 2.092 10 5 FEBEMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1CCOC ZINC000155566559 545543567 /nfs/dbraw/zinc/54/35/67/545543567.db2.gz RQGUPAQOZNFPIR-AWEZNQCLSA-N 1 1 372.425 2.326 10 5 FEBEMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1CCOC ZINC000155566559 545543569 /nfs/dbraw/zinc/54/35/69/545543569.db2.gz RQGUPAQOZNFPIR-AWEZNQCLSA-N 1 1 372.425 2.326 10 5 FEBEMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C[C@@H](C)O ZINC000156357127 545620894 /nfs/dbraw/zinc/62/08/94/545620894.db2.gz YCBACCJFQDXCDH-ZIAGYGMSSA-N 1 1 372.425 2.060 10 5 FEBEMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000160273243 546026130 /nfs/dbraw/zinc/02/61/30/546026130.db2.gz AKAUWISGLRFSFP-MRXNPFEDSA-N 1 1 355.460 2.135 10 5 FEBEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)C1 ZINC000161382497 546125837 /nfs/dbraw/zinc/12/58/37/546125837.db2.gz GQSTUJBBTKYINH-GUYCJALGSA-N 1 1 357.414 2.239 10 5 FEBEMO CC[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000168629772 546159273 /nfs/dbraw/zinc/15/92/73/546159273.db2.gz QDUJEMMHNWJYIZ-SNVBAGLBSA-N 1 1 359.224 2.193 10 5 FEBEMO CC[N@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000168629772 546159277 /nfs/dbraw/zinc/15/92/77/546159277.db2.gz QDUJEMMHNWJYIZ-SNVBAGLBSA-N 1 1 359.224 2.193 10 5 FEBEMO CC[C@@H](NC(=O)N1CC[N@H+](CCOC)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176696428 546477275 /nfs/dbraw/zinc/47/72/75/546477275.db2.gz HJTJQHFSPJZUJA-RHSMWYFYSA-N 1 1 364.446 2.408 10 5 FEBEMO CC[C@@H](NC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176696428 546477278 /nfs/dbraw/zinc/47/72/78/546477278.db2.gz HJTJQHFSPJZUJA-RHSMWYFYSA-N 1 1 364.446 2.408 10 5 FEBEMO CCOCC[NH+]1CCN(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000176692221 546477572 /nfs/dbraw/zinc/47/75/72/546477572.db2.gz RATZPFOUKWXBFI-KRWDZBQOSA-N 1 1 364.446 2.410 10 5 FEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182809774 547556353 /nfs/dbraw/zinc/55/63/53/547556353.db2.gz MSWRTTZCKRABAD-LBPRGKRZSA-N 1 1 368.821 2.129 10 5 FEBEMO CC[C@@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000184202228 547786080 /nfs/dbraw/zinc/78/60/80/547786080.db2.gz CPKDUEUUOVESQN-CQSZACIVSA-N 1 1 355.410 2.285 10 5 FEBEMO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C[C@H](C)O ZINC000245735657 548984419 /nfs/dbraw/zinc/98/44/19/548984419.db2.gz KRUQOFVBIZRZBS-JSGCOSHPSA-N 1 1 373.400 2.473 10 5 FEBEMO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155397656 672232685 /nfs/dbraw/zinc/23/26/85/672232685.db2.gz LOTMUXQINZQWGN-GXFFZTMASA-N 1 1 350.375 2.270 10 5 FEBEMO Cc1cc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000180094843 672408765 /nfs/dbraw/zinc/40/87/65/672408765.db2.gz AZEDEFHGMZLDKP-WCQYABFASA-N 1 1 359.423 2.049 10 5 FEBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000180829545 672418920 /nfs/dbraw/zinc/41/89/20/672418920.db2.gz PKVOLCXKMYAOTI-LBPRGKRZSA-N 1 1 369.468 2.455 10 5 FEBEMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000046033935 540238274 /nfs/dbraw/zinc/23/82/74/540238274.db2.gz DTVQVEDQAFIEDE-HNNXBMFYSA-N 1 1 363.439 2.484 10 5 FEBEMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000098117567 543022045 /nfs/dbraw/zinc/02/20/45/543022045.db2.gz VWGHUHQXHVGZFL-LBPRGKRZSA-N 1 1 355.441 2.238 10 5 FEBEMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000106076185 543191003 /nfs/dbraw/zinc/19/10/03/543191003.db2.gz QFRRIUFDXFAQSJ-INIZCTEOSA-N 1 1 357.414 2.364 10 5 FEBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000106097853 543195192 /nfs/dbraw/zinc/19/51/92/543195192.db2.gz NLRHFIFUIWRKTB-LSDHHAIUSA-N 1 1 351.447 2.269 10 5 FEBEMO CCOCC[N@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CC ZINC000106116763 543202297 /nfs/dbraw/zinc/20/22/97/543202297.db2.gz BDLDAOBJVCWZQY-MRXNPFEDSA-N 1 1 351.447 2.406 10 5 FEBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247465895 549337359 /nfs/dbraw/zinc/33/73/59/549337359.db2.gz RGAMSGCPXCONLD-ZFWWWQNUSA-N 1 1 362.430 2.101 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C[C@H]1CC ZINC000116768268 543615230 /nfs/dbraw/zinc/61/52/30/543615230.db2.gz RMZJXCTZFCDAFY-CQSZACIVSA-N 1 1 365.430 2.176 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C[C@H]1CC ZINC000116768268 543615233 /nfs/dbraw/zinc/61/52/33/543615233.db2.gz RMZJXCTZFCDAFY-CQSZACIVSA-N 1 1 365.430 2.176 10 5 FEBEMO CC[C@@H](NC(=O)N1CC[NH+](C[C@@H](O)CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181920710 327752764 /nfs/dbraw/zinc/75/27/64/327752764.db2.gz URTACQVLHHIGRE-DLBZAZTESA-N 1 1 364.446 2.144 10 5 FEBEMO C[NH+](C)C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184139344 327852882 /nfs/dbraw/zinc/85/28/82/327852882.db2.gz FHTBSDXMHATVAB-MRXNPFEDSA-N 1 1 363.439 2.317 10 5 FEBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000119492271 326169080 /nfs/dbraw/zinc/16/90/80/326169080.db2.gz UOPFNGQTJOBBEV-OAHLLOKOSA-N 1 1 372.429 2.026 10 5 FEBEMO CC[N@H+]1CCC[C@@H]1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000177697939 546670008 /nfs/dbraw/zinc/67/00/08/546670008.db2.gz IWZXQNKPPUVNDN-OAHLLOKOSA-N 1 1 364.446 2.348 10 5 FEBEMO CCN1CCC[C@@H]1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000177697939 546670013 /nfs/dbraw/zinc/67/00/13/546670013.db2.gz IWZXQNKPPUVNDN-OAHLLOKOSA-N 1 1 364.446 2.348 10 5 FEBEMO CCN1CCC[C@@H]1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000177697939 546670014 /nfs/dbraw/zinc/67/00/14/546670014.db2.gz IWZXQNKPPUVNDN-OAHLLOKOSA-N 1 1 364.446 2.348 10 5 FEBEMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000180551381 547128401 /nfs/dbraw/zinc/12/84/01/547128401.db2.gz COABDEHGCSBBKG-HNNXBMFYSA-N 1 1 369.425 2.357 10 5 FEBEMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000245474823 548930602 /nfs/dbraw/zinc/93/06/02/548930602.db2.gz RFVJWFJACCGTEQ-GOEBONIOSA-N 1 1 351.447 2.271 10 5 FEBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000247142902 549290840 /nfs/dbraw/zinc/29/08/40/549290840.db2.gz JVJANFYGKBJNGL-PWSUYJOCSA-N 1 1 359.835 2.105 10 5 FEBEMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000248552752 549455869 /nfs/dbraw/zinc/45/58/69/549455869.db2.gz AIKFDJVMRJRBEP-BPLDGKMQSA-N 1 1 365.434 2.026 10 5 FEBEMO Cc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301220479 553632347 /nfs/dbraw/zinc/63/23/47/553632347.db2.gz BBRRPZZBYGIHBX-GJZGRUSLSA-N 1 1 371.441 2.252 10 5 FEBEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000103478092 543110767 /nfs/dbraw/zinc/11/07/67/543110767.db2.gz MYKMTXLDNVRTPZ-ZDUSSCGKSA-N 1 1 373.413 2.452 10 5 FEBEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000106182150 543214450 /nfs/dbraw/zinc/21/44/50/543214450.db2.gz GJCHPMWYLWBFHK-OAHLLOKOSA-N 1 1 372.429 2.154 10 5 FEBEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000106182150 543214453 /nfs/dbraw/zinc/21/44/53/543214453.db2.gz GJCHPMWYLWBFHK-OAHLLOKOSA-N 1 1 372.429 2.154 10 5 FEBEMO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000106182152 543214841 /nfs/dbraw/zinc/21/48/41/543214841.db2.gz GJCHPMWYLWBFHK-HNNXBMFYSA-N 1 1 372.429 2.154 10 5 FEBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000106182152 543214842 /nfs/dbraw/zinc/21/48/42/543214842.db2.gz GJCHPMWYLWBFHK-HNNXBMFYSA-N 1 1 372.429 2.154 10 5 FEBEMO Cc1cnn([C@@H]2CCC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000106221760 543220254 /nfs/dbraw/zinc/22/02/54/543220254.db2.gz OUVSOUDIBDSBDT-QGZVFWFLSA-N 1 1 369.425 2.326 10 5 FEBEMO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000106221760 543220256 /nfs/dbraw/zinc/22/02/56/543220256.db2.gz OUVSOUDIBDSBDT-QGZVFWFLSA-N 1 1 369.425 2.326 10 5 FEBEMO CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000117302734 543628227 /nfs/dbraw/zinc/62/82/27/543628227.db2.gz YOBGRYBSQKJLQW-ZDUSSCGKSA-N 1 1 355.822 2.431 10 5 FEBEMO CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000117302734 543628229 /nfs/dbraw/zinc/62/82/29/543628229.db2.gz YOBGRYBSQKJLQW-ZDUSSCGKSA-N 1 1 355.822 2.431 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1CC ZINC000155237005 545004302 /nfs/dbraw/zinc/00/43/02/545004302.db2.gz KEPZUZDEPODASU-QGZVFWFLSA-N 1 1 363.458 2.487 10 5 FEBEMO CC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[N@H+]1CCOC ZINC000117436445 326060448 /nfs/dbraw/zinc/06/04/48/326060448.db2.gz GYINWBFDGXQULQ-CQSZACIVSA-N 1 1 350.419 2.478 10 5 FEBEMO Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000171405562 327137260 /nfs/dbraw/zinc/13/72/60/327137260.db2.gz JXFYKHPJJUIWCM-AWEZNQCLSA-N 1 1 373.413 2.204 10 5 FEBEMO Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)no1 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FEBEMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000030499248 539882521 /nfs/dbraw/zinc/88/25/21/539882521.db2.gz CANCPOZWWJROBK-INIZCTEOSA-N 1 1 363.439 2.484 10 5 FEBEMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)n2)cc1 ZINC000106172589 543212134 /nfs/dbraw/zinc/21/21/34/543212134.db2.gz FZDAKMDAZZFXHQ-CYBMUJFWSA-N 1 1 369.385 2.149 10 5 FEBEMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)n2)cc1 ZINC000106172589 543212136 /nfs/dbraw/zinc/21/21/36/543212136.db2.gz FZDAKMDAZZFXHQ-CYBMUJFWSA-N 1 1 369.385 2.149 10 5 FEBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000113227352 543477637 /nfs/dbraw/zinc/47/76/37/543477637.db2.gz YSTSURRWMIDGFI-XJKSGUPXSA-N 1 1 355.398 2.089 10 5 FEBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113269544 543481071 /nfs/dbraw/zinc/48/10/71/543481071.db2.gz RGAMSGCPXCONLD-UKRRQHHQSA-N 1 1 362.430 2.101 10 5 FEBEMO 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COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN2CCCC[C@H]2C1 ZINC000248326734 549418906 /nfs/dbraw/zinc/41/89/06/549418906.db2.gz CAOLZIFHUSJFHK-HNNXBMFYSA-N 1 1 362.430 2.102 10 5 FEBEMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302056281 553701245 /nfs/dbraw/zinc/70/12/45/553701245.db2.gz QOIRCNVUWZKWIZ-HNNXBMFYSA-N 1 1 371.441 2.105 10 5 FEBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000180830917 672418902 /nfs/dbraw/zinc/41/89/02/672418902.db2.gz KPAMXVPUYGMGET-AWEZNQCLSA-N 1 1 363.439 2.394 10 5 FEBEMO CCOC(=O)c1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247399655 549328862 /nfs/dbraw/zinc/32/88/62/549328862.db2.gz QYVTUSUMOCDJBJ-MLGOLLRUSA-N 1 1 363.414 2.230 10 5 FEBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(N2CC[NH+](C)CC2)nc1C ZINC000072464958 136148815 /nfs/dbraw/zinc/14/88/15/136148815.db2.gz IEVXHCLAVQVFJI-UHFFFAOYSA-N 1 1 370.413 2.006 10 5 FEBEMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075668 543190918 /nfs/dbraw/zinc/19/09/18/543190918.db2.gz FQNQAWQMIRIJJQ-OAHLLOKOSA-N 1 1 357.414 2.364 10 5 FEBEMO CC[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1CCOC ZINC000110560559 543361147 /nfs/dbraw/zinc/36/11/47/543361147.db2.gz PTMUHUWIWZFKPE-AWEZNQCLSA-N 1 1 362.430 2.027 10 5 FEBEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000117433730 543631171 /nfs/dbraw/zinc/63/11/71/543631171.db2.gz XXWDZHCLRMTDPB-CQSZACIVSA-N 1 1 350.419 2.478 10 5 FEBEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000117433730 543631172 /nfs/dbraw/zinc/63/11/72/543631172.db2.gz XXWDZHCLRMTDPB-CQSZACIVSA-N 1 1 350.419 2.478 10 5 FEBEMO CCOC(=O)c1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000125496120 543885150 /nfs/dbraw/zinc/88/51/50/543885150.db2.gz GRJUHUNCZWUAPO-ZIAGYGMSSA-N 1 1 365.430 2.053 10 5 FEBEMO COc1cc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c([N+](=O)[O-])cc1OC ZINC000128530662 544058019 /nfs/dbraw/zinc/05/80/19/544058019.db2.gz UMVFBPYKAZGXFU-ZDUSSCGKSA-N 1 1 361.402 2.116 10 5 FEBEMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000128564802 544059497 /nfs/dbraw/zinc/05/94/97/544059497.db2.gz ABJUFCHYMYKKQV-CYBMUJFWSA-N 1 1 364.427 2.380 10 5 FEBEMO CC[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000135463068 544348049 /nfs/dbraw/zinc/34/80/49/544348049.db2.gz KNPOFXODFVBTDY-CQSZACIVSA-N 1 1 355.822 2.431 10 5 FEBEMO CC[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000135463068 544348051 /nfs/dbraw/zinc/34/80/51/544348051.db2.gz KNPOFXODFVBTDY-CQSZACIVSA-N 1 1 355.822 2.431 10 5 FEBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000182897407 327792611 /nfs/dbraw/zinc/79/26/11/327792611.db2.gz VCZAKCKMXYVMOT-UPEZTMAHSA-N 1 1 359.426 2.177 10 5 FEBEMO O=[N+]([O-])c1cc(C[NH+]2CCC(Nc3cccnn3)CC2)c2c(c1)COCO2 ZINC000106082626 325577698 /nfs/dbraw/zinc/57/76/98/325577698.db2.gz IYBRGWXNZAHUES-UHFFFAOYSA-N 1 1 371.397 2.328 10 5 FEBEMO Cn1cc([C@H]2CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cn1 ZINC000116321118 326006574 /nfs/dbraw/zinc/00/65/74/326006574.db2.gz LPLDDUBMRUUGNO-ZDUSSCGKSA-N 1 1 354.370 2.368 10 5 FEBEMO Cn1cc([C@H]2CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cn1 ZINC000116321118 326006576 /nfs/dbraw/zinc/00/65/76/326006576.db2.gz LPLDDUBMRUUGNO-ZDUSSCGKSA-N 1 1 354.370 2.368 10 5 FEBEMO COCC[N@H+]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000120778623 326287132 /nfs/dbraw/zinc/28/71/32/326287132.db2.gz NJUCZISQFBKLKN-OAHLLOKOSA-N 1 1 373.457 2.148 10 5 FEBEMO CC[C@@H]1CN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000120940077 326300552 /nfs/dbraw/zinc/30/05/52/326300552.db2.gz XRICVAONSJTNOU-OAHLLOKOSA-N 1 1 367.446 2.155 10 5 FEBEMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000165383576 327077890 /nfs/dbraw/zinc/07/78/90/327077890.db2.gz BCSQYKHTZSGMFD-MRXNPFEDSA-N 1 1 369.487 2.177 10 5 FEBEMO NC(=O)c1ccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000171644177 327150882 /nfs/dbraw/zinc/15/08/82/327150882.db2.gz YWYSVDNWNGDZIM-CYBMUJFWSA-N 1 1 355.398 2.023 10 5 FEBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000173884846 327291462 /nfs/dbraw/zinc/29/14/62/327291462.db2.gz QTWNPHMLRKSMJE-MFKMUULPSA-N 1 1 361.851 2.255 10 5 FEBEMO COc1cc(OCC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000177196333 327505672 /nfs/dbraw/zinc/50/56/72/327505672.db2.gz MZKDXEDDYAZMML-AWEZNQCLSA-N 1 1 374.397 2.178 10 5 FEBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177021451 546525321 /nfs/dbraw/zinc/52/53/21/546525321.db2.gz SNEPTFXIODZUPG-INIZCTEOSA-N 1 1 357.414 2.337 10 5 FEBEMO CCOC(=O)c1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)cc([N+](=O)[O-])c1 ZINC000177025589 546526173 /nfs/dbraw/zinc/52/61/73/546526173.db2.gz NVJXZONCZJAUCX-HNNXBMFYSA-N 1 1 363.414 2.328 10 5 FEBEMO COc1cccc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1[N+](=O)[O-] ZINC000185370533 547976185 /nfs/dbraw/zinc/97/61/85/547976185.db2.gz PNKPLRHUINPYOC-UHFFFAOYSA-N 1 1 359.430 2.276 10 5 FEBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000245412183 548911363 /nfs/dbraw/zinc/91/13/63/548911363.db2.gz ACKQINMLOFRJGI-KGLIPLIRSA-N 1 1 362.430 2.101 10 5 FEBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000246024991 549038007 /nfs/dbraw/zinc/03/80/07/549038007.db2.gz LWTHNNMQMLGBCW-RDJZCZTQSA-N 1 1 358.442 2.043 10 5 FEBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247042531 549271350 /nfs/dbraw/zinc/27/13/50/549271350.db2.gz VJYPRQLTHQTKBF-PBHICJAKSA-N 1 1 369.425 2.479 10 5 FEBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000247052477 549272835 /nfs/dbraw/zinc/27/28/35/549272835.db2.gz WNZNYMHNPNKKTJ-QAPCUYQASA-N 1 1 369.425 2.479 10 5 FEBEMO