smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=O)c1cc2sccc2s1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954703247 769969231 /nfs/dbraw/zinc/96/92/31/769969231.db2.gz UGMJXQCSCABKNA-NXEZZACHSA-N 0 1 365.436 1.911 20 5 FDBDMN O=C(c1ccccc1Cl)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000969956683 771124770 /nfs/dbraw/zinc/12/47/70/771124770.db2.gz SGCDBRFZBCCZHR-NDPMZMCLSA-N 0 1 363.801 1.821 20 5 FDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(Cc2ncc[nH]2)CC1 ZINC000510249863 771791470 /nfs/dbraw/zinc/79/14/70/771791470.db2.gz OAIWZXDUPAVCPN-UHFFFAOYSA-N 0 1 372.429 1.773 20 5 FDBDMN O=C(NCC1CCN(C(=O)c2cc(F)cc(F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000949508485 775954026 /nfs/dbraw/zinc/95/40/26/775954026.db2.gz NOYKBDIIRABZHG-HUUCEWRRSA-N 0 1 367.352 1.598 20 5 FDBDMN O=C(N[C@H]1C[C@@H](NCc2noc(Cc3ccccc3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063942 777690290 /nfs/dbraw/zinc/69/02/90/777690290.db2.gz QFMYREWATZATJA-LXTVHRRPSA-N 0 1 371.397 1.062 20 5 FDBDMN O=C(N[C@H]1C[C@@H](NCc2nnc(Cc3ccccc3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063535 777705142 /nfs/dbraw/zinc/70/51/42/777705142.db2.gz DCERJDLCRQJWRN-LXTVHRRPSA-N 0 1 371.397 1.062 20 5 FDBDMN O=C(N[C@H]1C[C@@H](NCc2ncc(-c3ccccc3)o2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064857 777713140 /nfs/dbraw/zinc/71/31/40/777713140.db2.gz PFIBPZFIKBKINZ-LXTVHRRPSA-N 0 1 356.382 1.744 20 5 FDBDMN COc1ccc([C@H](O)CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000121539766 779073072 /nfs/dbraw/zinc/07/30/72/779073072.db2.gz QKVBJJQKDDFVOO-OAHLLOKOSA-N 0 1 356.338 1.943 20 5 FDBDMN Cn1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1[N+](=O)[O-] ZINC000728608547 785043016 /nfs/dbraw/zinc/04/30/16/785043016.db2.gz GURVSTLEXSHFQN-UHFFFAOYSA-N 0 1 357.286 1.879 20 5 FDBDMN C[NH+]1CCN(C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)CC1 ZINC000365274816 785375780 /nfs/dbraw/zinc/37/57/80/785375780.db2.gz RRDITFQQFLULAI-CQSZACIVSA-N 0 1 362.430 1.400 20 5 FDBDMN CCCc1ccccc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978795327 805786798 /nfs/dbraw/zinc/78/67/98/805786798.db2.gz LIYIGNXVETVTOA-JWZBEHFJSA-N 0 1 359.426 1.929 20 5 FDBDMN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cscc1Cl ZINC000978798905 805790981 /nfs/dbraw/zinc/79/09/81/805790981.db2.gz JDLPERREMYUGDS-JXVAYASWSA-N 0 1 357.819 1.691 20 5 FDBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc2cc(F)ccc2o1 ZINC000973257936 788398861 /nfs/dbraw/zinc/39/88/61/788398861.db2.gz OGFPJCSVMORXIF-FDYHWXHSSA-N 0 1 361.329 1.614 20 5 FDBDMN COC(=O)[C@H]1CN(C)CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000414481023 789261142 /nfs/dbraw/zinc/26/11/42/789261142.db2.gz BJAUNOVBKYTNGZ-ZDUSSCGKSA-N 0 1 367.402 1.149 20 5 FDBDMN CC(C)c1ncc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC000979022088 805983023 /nfs/dbraw/zinc/98/30/23/805983023.db2.gz WZOLSQJWWIYICS-WRWGMCAJSA-N 0 1 366.443 1.556 20 5 FDBDMN CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000472698332 791367430 /nfs/dbraw/zinc/36/74/30/791367430.db2.gz MGLRNKNWZKTDCL-MRVPVSSYSA-N 0 1 364.337 1.791 20 5 FDBDMN Cc1c(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccn1C(C)C ZINC000979165606 806081760 /nfs/dbraw/zinc/08/17/60/806081760.db2.gz VQLFFJGDUHZQCZ-OCVGTWLNSA-N 0 1 362.430 1.667 20 5 FDBDMN Cc1oc(C(C)(C)C)cc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974110507 794416099 /nfs/dbraw/zinc/41/60/99/794416099.db2.gz FIZNBHOIFMHSQM-ZMJPVWNMSA-N 0 1 363.414 1.928 20 5 FDBDMN Cc1nc(C(C)C)ccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974110924 794417535 /nfs/dbraw/zinc/41/75/35/794417535.db2.gz IXRQHEWQQWYLLK-FAXLKDOZSA-N 0 1 360.414 1.556 20 5 FDBDMN Cc1c(Cl)cncc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974110925 794417721 /nfs/dbraw/zinc/41/77/21/794417721.db2.gz IYLOMGFLSKZLJF-BSTOTGJRSA-N 0 1 352.778 1.086 20 5 FDBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc2scnc2c1 ZINC000974110986 794424813 /nfs/dbraw/zinc/42/48/13/794424813.db2.gz XYQDNKCYCCXMBC-LSCVPOLPSA-N 0 1 360.395 1.339 20 5 FDBDMN COc1ccc(F)c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1F ZINC000974114939 794434520 /nfs/dbraw/zinc/43/45/20/794434520.db2.gz KPOITCRNCQWXHA-PKIKSRDPSA-N 0 1 369.324 1.016 20 5 FDBDMN Cc1[nH]c2c(cccc2C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1C ZINC000974116151 794439831 /nfs/dbraw/zinc/43/98/31/794439831.db2.gz VZPWRHCNFQLUBE-NOXHYTERSA-N 0 1 370.409 1.827 20 5 FDBDMN COCc1sccc1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979745705 806430998 /nfs/dbraw/zinc/43/09/98/806430998.db2.gz CJJHCZLJIBKFJT-FPQZTECRSA-N 0 1 367.427 1.184 20 5 FDBDMN O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1coc2ccccc12 ZINC000979745900 806431805 /nfs/dbraw/zinc/43/18/05/806431805.db2.gz FHUOADJOAPFZNT-NLRBGTRBSA-N 0 1 357.366 1.723 20 5 FDBDMN Cc1nc(C)c(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC000979748183 806433525 /nfs/dbraw/zinc/43/35/25/806433525.db2.gz SMFCSVRKYQXBOQ-DDHJBXDOSA-N 0 1 352.416 1.050 20 5 FDBDMN COCc1csc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000979759019 806434537 /nfs/dbraw/zinc/43/45/37/806434537.db2.gz YUDKHCDUYWZZFN-OJAKKHQRSA-N 0 1 367.427 1.184 20 5 FDBDMN O=C(Cc1cccc(F)c1F)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979751979 806440150 /nfs/dbraw/zinc/44/01/50/806440150.db2.gz NXSNGFSWZGRJOE-XIDUGBJDSA-N 0 1 367.352 1.184 20 5 FDBDMN O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cccnc1C1CC1 ZINC000979756185 806443910 /nfs/dbraw/zinc/44/39/10/806443910.db2.gz MOGPWWPLPHVQQX-PZTHBURQSA-N 0 1 358.398 1.249 20 5 FDBDMN O=C(Cc1cc2ccccc2o1)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979754325 806442580 /nfs/dbraw/zinc/44/25/80/806442580.db2.gz WGMOCLDJDBJTCK-UIBBOPPKSA-N 0 1 371.393 1.652 20 5 FDBDMN O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cccc(Cl)c1F ZINC000979757187 806444551 /nfs/dbraw/zinc/44/45/51/806444551.db2.gz OEMGNOHBZOESPW-RUSTZOOPSA-N 0 1 369.780 1.769 20 5 FDBDMN COc1cc(C(=O)N2CCC(c3nc[nH]n3)CC2)c([N+](=O)[O-])cc1OC ZINC000365914013 795759735 /nfs/dbraw/zinc/75/97/35/795759735.db2.gz LNMLSRPLZJVGSG-UHFFFAOYSA-N 0 1 361.358 1.750 20 5 FDBDMN Cc1cc(F)c(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1F ZINC000979940439 806616515 /nfs/dbraw/zinc/61/65/15/806616515.db2.gz AMKAERPMDGNMDX-NDLNZWKESA-N 0 1 367.352 1.563 20 5 FDBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3cc4ccccc4s3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976482583 803418214 /nfs/dbraw/zinc/41/82/14/803418214.db2.gz VXTMMFCSWGOWDU-VBTGVMJWSA-N 0 1 371.418 1.753 20 5 FDBDMN CC(C)c1scnc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976484472 803419746 /nfs/dbraw/zinc/41/97/46/803419746.db2.gz REKYHXBBCOTWKC-ZIQFBCGOSA-N 0 1 364.427 1.118 20 5 FDBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3coc(C(F)F)c3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976477658 803432842 /nfs/dbraw/zinc/43/28/42/803432842.db2.gz OINXYFLIMLWSNM-GPTQDWHKSA-N 0 1 355.297 1.069 20 5 FDBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3csc(Cl)c3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976496555 803455238 /nfs/dbraw/zinc/45/52/38/803455238.db2.gz WGJVLKOWOWCIOE-GPTQDWHKSA-N 0 1 355.803 1.253 20 5 FDBDMN O=C(Cc1ccc(Cl)s1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000976522474 803473191 /nfs/dbraw/zinc/47/31/91/803473191.db2.gz GBNVJAYWTDCAHN-QEGBUVANSA-N 0 1 369.830 1.182 20 5 FDBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)c1ccc(Cl)cc1F ZINC000976828065 803946343 /nfs/dbraw/zinc/94/63/43/803946343.db2.gz ZIMHPSWOYMYRML-BLUODKFWSA-N 0 1 367.764 1.331 20 5 FDBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)c1sccc1C1CC1 ZINC000977228383 804614452 /nfs/dbraw/zinc/61/44/52/804614452.db2.gz YIVHTUSHMMZWNK-RGDJUOJXSA-N 0 1 361.423 1.477 20 5 FDBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)c1cc2ccccc2[nH]1 ZINC000977235136 804627754 /nfs/dbraw/zinc/62/77/54/804627754.db2.gz FHDROFCFWYKHIM-POPZOMSYSA-N 0 1 354.366 1.020 20 5 FDBDMN CCCc1nc(CN2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC000981136861 807575183 /nfs/dbraw/zinc/57/51/83/807575183.db2.gz JEAPXMSTNWWEOE-ZIAGYGMSSA-N 0 1 352.460 1.795 20 5 FDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCN(Cc1noc(C3CC3)n1)C2 ZINC000981764134 808449280 /nfs/dbraw/zinc/44/92/80/808449280.db2.gz NRRKHUNMJMVSCS-CHWSQXEVSA-N 0 1 361.402 1.037 20 5 FDBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279443081 808997522 /nfs/dbraw/zinc/99/75/22/808997522.db2.gz NKZYWSZWVMRLBM-LBPRGKRZSA-N 0 1 367.425 1.166 20 5 FDBDMN Cn1ccnc1C(=O)c1ccc(N2CC[C@@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893938818 809822802 /nfs/dbraw/zinc/82/28/02/809822802.db2.gz GJUQARWYVIUQRV-CZUORRHYSA-N 0 1 355.398 1.700 20 5 FDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)c1[N+](=O)[O-] ZINC000509870294 810497867 /nfs/dbraw/zinc/49/78/67/810497867.db2.gz LZTQJIXLHWHVGG-JTQLQIEISA-N 0 1 359.390 1.833 20 5 FDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)c1[N+](=O)[O-] ZINC000505120206 815414936 /nfs/dbraw/zinc/41/49/36/815414936.db2.gz PNSIERRGKLEQDP-LLVKDONJSA-N 0 1 363.378 1.002 20 5 FDBDMN CNC(=O)[C@]1(C)CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000280526235 811846548 /nfs/dbraw/zinc/84/65/48/811846548.db2.gz CRSMUMRDOOVOES-APPDUMDISA-N 0 1 364.402 1.388 20 5 FDBDMN O=C1CO[C@H]2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]2N1 ZINC000366797478 813960431 /nfs/dbraw/zinc/96/04/31/813960431.db2.gz DNJMFMSGTVILKR-GJZGRUSLSA-N 0 1 372.381 1.382 20 5 FDBDMN CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000425105142 815623394 /nfs/dbraw/zinc/62/33/94/815623394.db2.gz DCXCZSUWZKFTIB-CYBMUJFWSA-N 0 1 357.370 1.330 20 5 FDBDMN C[C@@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1C(=O)[O-] ZINC000517741130 817557361 /nfs/dbraw/zinc/55/73/61/817557361.db2.gz BTUOYSONHSTWGD-YPMHNXCESA-N 0 1 363.370 1.935 20 5 FDBDMN CC(C)CN1C[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000427804485 820807242 /nfs/dbraw/zinc/80/72/42/820807242.db2.gz NDEGGADSCHHWGO-AWEZNQCLSA-N 0 1 362.386 1.518 20 5 FDBDMN CC(C)CN1C[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000427804488 820807372 /nfs/dbraw/zinc/80/73/72/820807372.db2.gz NDEGGADSCHHWGO-CQSZACIVSA-N 0 1 362.386 1.518 20 5 FDBDMN O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000759167144 821762629 /nfs/dbraw/zinc/76/26/29/821762629.db2.gz DVLFHVFJQFMNFL-UHFFFAOYSA-N 0 1 357.279 1.343 20 5 FDBDMN CCOC(=O)CN(CCc1ccccc1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000524693728 828427311 /nfs/dbraw/zinc/42/73/11/828427311.db2.gz IZEUFUICVXEKNL-UHFFFAOYSA-N 0 1 360.370 1.874 20 5 FDBDMN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CCN1C 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LZKAXLRMVZACIH-SNVBAGLBSA-N 0 1 359.342 1.504 20 5 FDBDMN CCCc1[nH]nc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000364173821 989507197 /nfs/dbraw/zinc/50/71/97/989507197.db2.gz XVVKMNXGKFJARJ-LBPRGKRZSA-N 0 1 365.434 1.596 20 5 FDBDMN CCCc1n[nH]c(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000364173821 989507201 /nfs/dbraw/zinc/50/72/01/989507201.db2.gz XVVKMNXGKFJARJ-LBPRGKRZSA-N 0 1 365.434 1.596 20 5 FDBDMN CCCc1[nH]nc(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000364173821 989507207 /nfs/dbraw/zinc/50/72/07/989507207.db2.gz XVVKMNXGKFJARJ-LBPRGKRZSA-N 0 1 365.434 1.596 20 5 FDBDMN COc1ccc(CN2CCCN(C(=O)Cn3nccc3[N+](=O)[O-])CC2)cc1 ZINC000370789190 989988633 /nfs/dbraw/zinc/98/86/33/989988633.db2.gz VABLKXSHNZKHAM-UHFFFAOYSA-N 0 1 373.413 1.534 20 5 FDBDMN CCOC(=O)[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000370903078 990110166 /nfs/dbraw/zinc/11/01/66/990110166.db2.gz PLZFPXDAYSLRIF-WBVHZDCISA-N 0 1 374.397 1.315 20 5 FDBDMN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000371366436 990383870 /nfs/dbraw/zinc/38/38/70/990383870.db2.gz LZCBYTWOLVRZCL-SJORKVTESA-N 0 1 370.409 1.814 20 5 FDBDMN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[C@H]1N1CCOCC1 ZINC000371562265 990528173 /nfs/dbraw/zinc/52/81/73/990528173.db2.gz DDIPMRHDELGTNW-GDBMZVCRSA-N 0 1 362.430 1.624 20 5 FDBDMN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@@H]2N2CCOCC2)c1 ZINC000371563843 990529970 /nfs/dbraw/zinc/52/99/70/990529970.db2.gz LQKFQZZOVNNZOI-CJNGLKHVSA-N 0 1 363.414 1.834 20 5 FDBDMN Cn1cc([C@H]2[C@H](CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)CCC[N@H+]2C)cn1 ZINC000371822054 990748449 /nfs/dbraw/zinc/74/84/49/990748449.db2.gz GMYYDCYWUFPWRU-SUMWQHHRSA-N 0 1 373.413 1.847 20 5 FDBDMN COc1cc(OCC(=O)N2CCC[C@@H](c3nc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000371912301 990818124 /nfs/dbraw/zinc/81/81/24/990818124.db2.gz SNISYEQMHVDMQT-LLVKDONJSA-N 0 1 361.358 1.507 20 5 FDBDMN C[NH+]1CCN(CC2CN(c3c(Cl)cc([N+](=O)[O-])cc3C(=O)[O-])C2)CC1 ZINC001598615225 993865154 /nfs/dbraw/zinc/86/51/54/993865154.db2.gz ARPZJWHLTCVBQO-UHFFFAOYSA-N 0 1 368.821 1.630 20 5 FDBDMN C[C@H](NC(=O)c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170322 994026046 /nfs/dbraw/zinc/02/60/46/994026046.db2.gz LOGSWADALQOJST-CMPLNLGQSA-N 0 1 362.386 1.446 20 5 FDBDMN C[C@H](NC(=O)c1ccc(N(C)C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171658 994033744 /nfs/dbraw/zinc/03/37/44/994033744.db2.gz XLGVZGFQQHGAOB-AAEUAGOBSA-N 0 1 364.402 1.328 20 5 FDBDMN C[C@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879764131 995264736 /nfs/dbraw/zinc/26/47/36/995264736.db2.gz RCFPIIXACZJAHQ-OCCSQVGLSA-N 0 1 361.320 1.771 20 5 FDBDMN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001598777856 995949646 /nfs/dbraw/zinc/94/96/46/995949646.db2.gz NDBIXJTVOVYUES-DOMZBBRYSA-N 0 1 366.370 1.702 20 5 FDBDMN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001598777856 995949651 /nfs/dbraw/zinc/94/96/51/995949651.db2.gz NDBIXJTVOVYUES-DOMZBBRYSA-N 0 1 366.370 1.702 20 5 FDBDMN COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C(=O)[O-])C1 ZINC001598801132 996139721 /nfs/dbraw/zinc/13/97/21/996139721.db2.gz QOYONNJYKZAAOH-MFKMUULPSA-N 0 1 352.343 1.442 20 5 FDBDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C(=O)[O-])C1 ZINC001598801132 996139724 /nfs/dbraw/zinc/13/97/24/996139724.db2.gz QOYONNJYKZAAOH-MFKMUULPSA-N 0 1 352.343 1.442 20 5 FDBDMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)[C@@H]1C ZINC001598806075 996188233 /nfs/dbraw/zinc/18/82/33/996188233.db2.gz ZIXFAGOKCPRWKB-PWSUYJOCSA-N 0 1 352.343 1.442 20 5 FDBDMN COc1ccc(C(=O)[O-])c2c1C[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC001599501603 997131347 /nfs/dbraw/zinc/13/13/47/997131347.db2.gz MUTVGUREWFASMH-UHFFFAOYSA-N 0 1 360.370 1.865 20 5 FDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001599461945 998288722 /nfs/dbraw/zinc/28/87/22/998288722.db2.gz JRGFQWPADRUOFG-IETSOEAISA-N 0 1 363.370 1.727 20 5 FDBDMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001594264522 999022340 /nfs/dbraw/zinc/02/23/40/999022340.db2.gz RGGFNNYYNFDSEF-VHSXEESVSA-N 0 1 369.399 1.197 20 5 FDBDMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC001594264522 999022343 /nfs/dbraw/zinc/02/23/43/999022343.db2.gz RGGFNNYYNFDSEF-VHSXEESVSA-N 0 1 369.399 1.197 20 5 FDBDMN CCc1[nH]nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000266548751 999186097 /nfs/dbraw/zinc/18/60/97/999186097.db2.gz LHCMMVXGYWEEAI-JTQLQIEISA-N 0 1 367.406 1.962 20 5 FDBDMN Cc1c(NC(=O)C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000270580803 999581002 /nfs/dbraw/zinc/58/10/02/999581002.db2.gz ASGMVBURWXKNMR-JTQLQIEISA-N 0 1 360.374 1.961 20 5 FDBDMN O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270675936 999597621 /nfs/dbraw/zinc/59/76/21/999597621.db2.gz BNCCKSNVPIWICV-UHFFFAOYSA-N 0 1 357.326 1.124 20 5 FDBDMN O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000270842956 999623904 /nfs/dbraw/zinc/62/39/04/999623904.db2.gz IHSDGATXUYTYRF-CABCVRRESA-N 0 1 364.402 1.193 20 5 FDBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284280805 999796484 /nfs/dbraw/zinc/79/64/84/999796484.db2.gz NHRFFNFVMZWSKX-QWRGUYRKSA-N 0 1 361.358 1.478 20 5 FDBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284280801 999796585 /nfs/dbraw/zinc/79/65/85/999796585.db2.gz NHRFFNFVMZWSKX-GHMZBOCLSA-N 0 1 361.358 1.478 20 5 FDBDMN COc1cc(C(=O)N[C@H](CO)CN2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000288408292 1000014641 /nfs/dbraw/zinc/01/46/41/1000014641.db2.gz GNFUZRBFBOSDKR-LBPRGKRZSA-N 0 1 367.402 1.189 20 5 FDBDMN O=C(NCc1ccc2c(c1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2)c1cocn1 ZINC000965862668 1016439698 /nfs/dbraw/zinc/43/96/98/1016439698.db2.gz CDVJUUSDGYQRDT-UKRRQHHQSA-N 0 1 356.338 1.112 20 5 FDBDMN O=C(NCc1ccc2c(c1)CN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000965865367 1016440575 /nfs/dbraw/zinc/44/05/75/1016440575.db2.gz LCJTVFLWHRSXFP-MISMHTLLSA-N 0 1 369.421 1.856 20 5 FDBDMN O=C(Cc1ccc[nH]1)N1Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2C1 ZINC000965869834 1016447457 /nfs/dbraw/zinc/44/74/57/1016447457.db2.gz ZLRBOMPTRKSJNH-IAGOWNOFSA-N 0 1 368.393 1.381 20 5 FDBDMN Cc1n[nH]cc1C(=O)NCc1ccc2c(c1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000965875501 1016457326 /nfs/dbraw/zinc/45/73/26/1016457326.db2.gz YKEGAKARPVDAGR-GDBMZVCRSA-N 0 1 369.381 1.156 20 5 FDBDMN CCc1ccsc1C(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000947035314 1001041527 /nfs/dbraw/zinc/04/15/27/1001041527.db2.gz WBUIKQWIVYTGRC-CHWSQXEVSA-N 0 1 351.428 1.697 20 5 FDBDMN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CCCN2CCSC[C@H]12 ZINC000928074510 1001333998 /nfs/dbraw/zinc/33/39/98/1001333998.db2.gz AITRAWGOGRSFII-UONOGXRCSA-N 0 1 353.419 1.972 20 5 FDBDMN Cc1cc(OCC(=O)N[C@@H]2CCCN3CCSC[C@H]23)ccc1[N+](=O)[O-] ZINC000928088295 1001347672 /nfs/dbraw/zinc/34/76/72/1001347672.db2.gz YERXZMOVNODBTM-GDBMZVCRSA-N 0 1 365.455 1.978 20 5 FDBDMN O=C(NC1CCN(C(=O)c2cccc3ccncc32)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000948147699 1002131929 /nfs/dbraw/zinc/13/19/29/1002131929.db2.gz JJWAHZNMCRESRD-NVXWUHKLSA-N 0 1 368.393 1.621 20 5 FDBDMN CN(C)c1cccc(C(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000948336256 1002251767 /nfs/dbraw/zinc/25/17/67/1002251767.db2.gz LSOHLTMFPSHKSD-HZPDHXFCSA-N 0 1 360.414 1.139 20 5 FDBDMN O=C(NC1CCN(C(=O)c2ccc3cnccc3n2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000948567892 1002458044 /nfs/dbraw/zinc/45/80/44/1002458044.db2.gz IUPOSOWRNIHFCS-CZUORRHYSA-N 0 1 369.381 1.016 20 5 FDBDMN Cc1cc(F)ccc1C(=O)NCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000948927207 1002827829 /nfs/dbraw/zinc/82/78/29/1002827829.db2.gz AFIICSLHSIOZHG-HZPDHXFCSA-N 0 1 363.389 1.768 20 5 FDBDMN O=C(NCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccc2n[nH]cc2c1 ZINC000948928937 1002833481 /nfs/dbraw/zinc/83/34/81/1002833481.db2.gz SUMNJBYNXQSNAQ-GDBMZVCRSA-N 0 1 371.397 1.197 20 5 FDBDMN CCc1cnccc1C(=O)NCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000948931607 1002840915 /nfs/dbraw/zinc/84/09/15/1002840915.db2.gz YRGMMUNMPLZEGD-HZPDHXFCSA-N 0 1 360.414 1.278 20 5 FDBDMN O=C(NCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cc2ccccn2c1 ZINC000948931574 1002840962 /nfs/dbraw/zinc/84/09/62/1002840962.db2.gz XJQKDAKZVIBQRJ-IAGOWNOFSA-N 0 1 370.409 1.573 20 5 FDBDMN CC(C)c1nocc1C(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000949036501 1002949678 /nfs/dbraw/zinc/94/96/78/1002949678.db2.gz ZRHZVTVSGHVGNH-TZMCWYRMSA-N 0 1 364.402 1.432 20 5 FDBDMN O=C(NCC1CCN(C(=O)c2ccn3ccccc23)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000949200908 1003089731 /nfs/dbraw/zinc/08/97/31/1003089731.db2.gz AAENNZODEQWGEK-NVXWUHKLSA-N 0 1 370.409 1.573 20 5 FDBDMN C[C@@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000932725925 1005129720 /nfs/dbraw/zinc/12/97/20/1005129720.db2.gz 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CS(=O)(=O)c1cccc(N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1[N+](=O)[O-] ZINC000582998032 551289422 /nfs/dbraw/zinc/28/94/22/551289422.db2.gz OLFJCAQKHZWOTA-SECBINFHSA-N 0 1 368.371 1.471 20 5 FDBDMN O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000583873958 551414075 /nfs/dbraw/zinc/41/40/75/551414075.db2.gz DCLBDBGELSWOCZ-LLVKDONJSA-N 0 1 357.794 1.530 20 5 FDBDMN [NH3+]CCC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000584163565 551457407 /nfs/dbraw/zinc/45/74/07/551457407.db2.gz NXVBSQDBRDSNJU-ZDUSSCGKSA-N 0 1 350.400 1.748 20 5 FDBDMN C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000584589994 551523293 /nfs/dbraw/zinc/52/32/93/551523293.db2.gz FIRQBSOBOHKLAF-RKDXNWHRSA-N 0 1 367.349 1.985 20 5 FDBDMN NS(=O)(=O)c1ccc(NCCc2ccc3cn[nH]c3c2)c([N+](=O)[O-])c1 ZINC000588048640 551643094 /nfs/dbraw/zinc/64/30/94/551643094.db2.gz BBHUZPKZSXCGLJ-UHFFFAOYSA-N 0 1 361.383 1.773 20 5 FDBDMN CN1CC[C@H](N2CCC(NC(=O)CCc3cccc([N+](=O)[O-])c3)CC2)C1=O 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C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000593227169 552074924 /nfs/dbraw/zinc/07/49/24/552074924.db2.gz RIUYNHYBEFQBRC-RBSFLKMASA-N 0 1 372.429 1.696 20 5 FDBDMN CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1nc(C2CC2)no1 ZINC000593541140 552127785 /nfs/dbraw/zinc/12/77/85/552127785.db2.gz OFOSUZNKUFCZHB-LBPRGKRZSA-N 0 1 367.387 1.926 20 5 FDBDMN COC(=O)c1coc(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000593645395 552161881 /nfs/dbraw/zinc/16/18/81/552161881.db2.gz LCFNHIITCWCUSG-UHFFFAOYSA-N 0 1 369.355 1.465 20 5 FDBDMN CN(CCN1CCCCC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000593666796 552168336 /nfs/dbraw/zinc/16/83/36/552168336.db2.gz SFSDTUWLCYTVFM-UHFFFAOYSA-N 0 1 355.460 1.885 20 5 FDBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCN1CCCCC1 ZINC000593666752 552168378 /nfs/dbraw/zinc/16/83/78/552168378.db2.gz QXPINXUHMJFXAR-UHFFFAOYSA-N 0 1 357.432 1.710 20 5 FDBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000593815530 552201911 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1.391 20 5 FDBDMN COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000600799148 553315960 /nfs/dbraw/zinc/31/59/60/553315960.db2.gz DLADAFHHOVEQSO-WCQYABFASA-N 0 1 366.370 1.689 20 5 FDBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCN1CC[C@H](O)C1 ZINC000600808776 553317195 /nfs/dbraw/zinc/31/71/95/553317195.db2.gz QJQFLRMNTCNNTE-NSHDSACASA-N 0 1 359.835 1.523 20 5 FDBDMN CCN1CCN([C@@H]2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000601043094 553343623 /nfs/dbraw/zinc/34/36/23/553343623.db2.gz RVRHAEOIHIKKTJ-CYBMUJFWSA-N 0 1 350.394 1.586 20 5 FDBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601044600 553343732 /nfs/dbraw/zinc/34/37/32/553343732.db2.gz JJJSVIIVGQUBKV-HNNXBMFYSA-N 0 1 360.458 1.769 20 5 FDBDMN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCCCN1CCO ZINC000601169598 553355552 /nfs/dbraw/zinc/35/55/52/553355552.db2.gz DIGCLVRSSKDLRP-SECBINFHSA-N 0 1 351.329 1.606 20 5 FDBDMN CCN1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000601440710 553406473 /nfs/dbraw/zinc/40/64/73/553406473.db2.gz VVDSTYFYKMLOGR-CQSZACIVSA-N 0 1 355.460 1.883 20 5 FDBDMN CN(C(=O)CN1CCC[C@@H](n2ccnn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000602886795 553660481 /nfs/dbraw/zinc/66/04/81/553660481.db2.gz FPONVTFDOKGNDG-OAHLLOKOSA-N 0 1 358.402 1.876 20 5 FDBDMN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000603424479 553785106 /nfs/dbraw/zinc/78/51/06/553785106.db2.gz XXFGCSNFCOFZCS-INIZCTEOSA-N 0 1 363.462 1.815 20 5 FDBDMN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCCN(CCN3CCOCC3)C2)n1 ZINC000603424479 553785107 /nfs/dbraw/zinc/78/51/07/553785107.db2.gz XXFGCSNFCOFZCS-INIZCTEOSA-N 0 1 363.462 1.815 20 5 FDBDMN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000604286088 553859602 /nfs/dbraw/zinc/85/96/02/553859602.db2.gz JFAGAIZJPSQPGA-HNNXBMFYSA-N 0 1 354.326 1.393 20 5 FDBDMN CN1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609519014 554386245 /nfs/dbraw/zinc/38/62/45/554386245.db2.gz ZVCYLCKKSVSDNK-NEPJUHHUSA-N 0 1 366.443 1.471 20 5 FDBDMN C[C@@](CO)(NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000609537111 554389681 /nfs/dbraw/zinc/38/96/81/554389681.db2.gz FYTYETNUHIDSHG-IBGZPJMESA-N 0 1 355.394 1.981 20 5 FDBDMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000610109472 554461926 /nfs/dbraw/zinc/46/19/26/554461926.db2.gz CMYHWBPVGWITEF-UHFFFAOYSA-N 0 1 372.381 1.773 20 5 FDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000610908224 554579669 /nfs/dbraw/zinc/57/96/69/554579669.db2.gz CRRCOVZIZAQDDY-AWEZNQCLSA-N 0 1 365.411 1.480 20 5 FDBDMN CC(C)c1n[nH]c(C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)c1[N+](=O)[O-] ZINC000610924176 554581403 /nfs/dbraw/zinc/58/14/03/554581403.db2.gz UFXKZSLSYNZYEM-NSHDSACASA-N 0 1 356.346 1.474 20 5 FDBDMN COC(=O)[C@H](COC(C)C)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000610925713 554581620 /nfs/dbraw/zinc/58/16/20/554581620.db2.gz HGRLIJJNFDQPKD-JTQLQIEISA-N 0 1 356.379 1.480 20 5 FDBDMN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000611195869 554614224 /nfs/dbraw/zinc/61/42/24/554614224.db2.gz BHJXKDPVABKDBG-GOEBONIOSA-N 0 1 358.398 1.747 20 5 FDBDMN CCc1[nH]nc(C(=O)N2CCC(C3N=NC(=O)N3CC)CC2)c1[N+](=O)[O-] ZINC000611212425 554615792 /nfs/dbraw/zinc/61/57/92/554615792.db2.gz ROBQHTZROKIAIT-UHFFFAOYSA-N 0 1 363.378 1.217 20 5 FDBDMN CC(C)(C)OC(=O)[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000611557910 554645756 /nfs/dbraw/zinc/64/57/56/554645756.db2.gz IHPQTVPKJOQPCJ-CYBMUJFWSA-N 0 1 352.343 1.483 20 5 FDBDMN CC1=CCN(CCNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000613033283 554873800 /nfs/dbraw/zinc/87/38/00/554873800.db2.gz KCNMXIHXFULENQ-CQSZACIVSA-N 0 1 360.414 1.481 20 5 FDBDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000619481344 555784866 /nfs/dbraw/zinc/78/48/66/555784866.db2.gz HPASOBJXFWMMJE-LBPRGKRZSA-N 0 1 355.416 1.462 20 5 FDBDMN CCn1cc([C@H]2CSCCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cn1 ZINC000619566024 555800180 /nfs/dbraw/zinc/80/01/80/555800180.db2.gz SWQFQMMPEVAAKT-LLVKDONJSA-N 0 1 350.404 1.773 20 5 FDBDMN Cc1[nH]ncc1CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000619786678 555833859 /nfs/dbraw/zinc/83/38/59/555833859.db2.gz AHWWVILODGYJMD-UHFFFAOYSA-N 0 1 366.399 1.392 20 5 FDBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000619873562 555847637 /nfs/dbraw/zinc/84/76/37/555847637.db2.gz MYSFIXZHSIMGMF-UKRRQHHQSA-N 0 1 364.471 1.582 20 5 FDBDMN Cc1c(CNC(=O)c2ccnc(N3CCN(C)CC3)c2)cccc1[N+](=O)[O-] ZINC000481462705 567956205 /nfs/dbraw/zinc/95/62/05/567956205.db2.gz ICXAANXMAGFURI-UHFFFAOYSA-N 0 1 369.425 1.980 20 5 FDBDMN CCCc1[nH]nc(C(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)c1[N+](=O)[O-] ZINC000736498709 598606477 /nfs/dbraw/zinc/60/64/77/598606477.db2.gz XZVJOEHGNZAWQX-UHFFFAOYSA-N 0 1 370.373 1.723 20 5 FDBDMN COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)C1 ZINC000272401337 674439332 /nfs/dbraw/zinc/43/93/32/674439332.db2.gz MXJVEUIBRUOHID-LLVKDONJSA-N 0 1 351.359 1.010 20 5 FDBDMN COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)C1 ZINC000272401337 674439334 /nfs/dbraw/zinc/43/93/34/674439334.db2.gz MXJVEUIBRUOHID-LLVKDONJSA-N 0 1 351.359 1.010 20 5 FDBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272442078 674445142 /nfs/dbraw/zinc/44/51/42/674445142.db2.gz PJXRAUHLNNKKGQ-HIFRSBDPSA-N 0 1 353.444 1.926 20 5 FDBDMN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 ZINC000272587654 674458991 /nfs/dbraw/zinc/45/89/91/674458991.db2.gz VDQTXVFAQUBAMW-HUUCEWRRSA-N 0 1 350.371 1.693 20 5 FDBDMN Cc1cc(N2CCCN(S(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272799199 674475533 /nfs/dbraw/zinc/47/55/33/674475533.db2.gz DLANAYUVVRNASJ-UHFFFAOYSA-N 0 1 364.427 1.923 20 5 FDBDMN COCC[N@H+]1CCC[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000737808938 599954499 /nfs/dbraw/zinc/95/44/99/599954499.db2.gz GDCGTSFZXKJEGV-ZDUSSCGKSA-N 0 1 351.359 1.134 20 5 FDBDMN CC[N@@H+](C)C[C@H]1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829613090 601225427 /nfs/dbraw/zinc/22/54/27/601225427.db2.gz GYLWUWJCQAOQAY-GFCCVEGCSA-N 0 1 364.402 1.187 20 5 FDBDMN Cc1cc(N2CCC([N@@H+](C)CCCO)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000514940142 602318690 /nfs/dbraw/zinc/31/86/90/602318690.db2.gz UBUVPEIHFHQUNG-UHFFFAOYSA-N 0 1 351.403 1.884 20 5 FDBDMN C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739180236 602781119 /nfs/dbraw/zinc/78/11/19/602781119.db2.gz OCONRPUGHJSLRB-OSAQELSMSA-N 0 1 353.375 1.313 20 5 FDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C(=O)[O-])[C@H](C)C1 ZINC000740153291 603359551 /nfs/dbraw/zinc/35/95/51/603359551.db2.gz QCVURTDQWQWCKB-GFCCVEGCSA-N 0 1 350.375 1.916 20 5 FDBDMN CC[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825192837 607669041 /nfs/dbraw/zinc/66/90/41/607669041.db2.gz JKJSMSNAWVPBIV-VHSXEESVSA-N 0 1 366.403 1.632 20 5 FDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000832097783 604743769 /nfs/dbraw/zinc/74/37/69/604743769.db2.gz LZQWQINCKDDTSP-JTQLQIEISA-N 0 1 351.359 1.727 20 5 FDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833409149 604917629 /nfs/dbraw/zinc/91/76/29/604917629.db2.gz KHYOWRAIAOAGSM-GXFFZTMASA-N 0 1 353.400 1.814 20 5 FDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833409149 604917631 /nfs/dbraw/zinc/91/76/31/604917631.db2.gz KHYOWRAIAOAGSM-GXFFZTMASA-N 0 1 353.400 1.814 20 5 FDBDMN O=C([O-])[C@@H](O)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000833771204 604977638 /nfs/dbraw/zinc/97/76/38/604977638.db2.gz XTXIEMJRTIKIRW-AWEZNQCLSA-N 0 1 352.343 1.119 20 5 FDBDMN C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1CCC(=O)[O-] ZINC000833624019 605276181 /nfs/dbraw/zinc/27/61/81/605276181.db2.gz SQNRCDFSEWCCKV-JTQLQIEISA-N 0 1 355.778 1.869 20 5 FDBDMN C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1CCC(=O)[O-] ZINC000833624019 605276184 /nfs/dbraw/zinc/27/61/84/605276184.db2.gz SQNRCDFSEWCCKV-JTQLQIEISA-N 0 1 355.778 1.869 20 5 FDBDMN O=C([O-])N1CCC[C@H]1[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000834108402 605650501 /nfs/dbraw/zinc/65/05/01/605650501.db2.gz PTVGKVPKPHCLET-GJZGRUSLSA-N 0 1 364.402 1.753 20 5 FDBDMN NC(=O)[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388506 607983909 /nfs/dbraw/zinc/98/39/09/607983909.db2.gz BJLCHZAIHVKBCH-OAHLLOKOSA-N 0 1 367.369 1.134 20 5 FDBDMN COc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC000826201098 609164879 /nfs/dbraw/zinc/16/48/79/609164879.db2.gz XXUNEAUVTUNSAM-UHFFFAOYSA-N 0 1 370.325 1.419 20 5 FDBDMN Cc1nnc(SCCC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]1 ZINC000277545246 674964564 /nfs/dbraw/zinc/96/45/64/674964564.db2.gz BOKWEBAWFDWOJN-UHFFFAOYSA-N 0 1 361.387 1.696 20 5 FDBDMN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000277699340 675006971 /nfs/dbraw/zinc/00/69/71/675006971.db2.gz WAUUECACZJKQED-VHSXEESVSA-N 0 1 353.379 1.693 20 5 FDBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2COC(=O)N(C)C)c1[N+](=O)[O-] ZINC000287959016 675944380 /nfs/dbraw/zinc/94/43/80/675944380.db2.gz YYMWCTOVGGTYRH-SNVBAGLBSA-N 0 1 353.379 1.573 20 5 FDBDMN C[C@@H](NC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000288275414 675985638 /nfs/dbraw/zinc/98/56/38/675985638.db2.gz GNRHMKXRDCZBSI-MELADBBJSA-N 0 1 350.419 1.752 20 5 FDBDMN CC[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000288625474 676031316 /nfs/dbraw/zinc/03/13/16/676031316.db2.gz JUOQPHMIIKTOQL-UWVGGRQHSA-N 0 1 358.420 1.479 20 5 FDBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1[NH2+]CCc2ccccc21 ZINC000262270016 672758985 /nfs/dbraw/zinc/75/89/85/672758985.db2.gz SJPJPDUXDPTBRY-CQSZACIVSA-N 0 1 365.386 1.899 20 5 FDBDMN C[C@@H](O)CN1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000288894396 676069239 /nfs/dbraw/zinc/06/92/39/676069239.db2.gz SDWWTRSQRSDBKV-VXGBXAGGSA-N 0 1 370.837 1.845 20 5 FDBDMN COC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000267015373 673234546 /nfs/dbraw/zinc/23/45/46/673234546.db2.gz IYSAHXJTINHCQY-LLVKDONJSA-N 0 1 356.356 1.862 20 5 FDBDMN COC[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279065099 675237893 /nfs/dbraw/zinc/23/78/93/675237893.db2.gz LYQGWTXGRJMGMS-OCCSQVGLSA-N 0 1 357.794 1.970 20 5 FDBDMN Cc1ccncc1CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000279795675 675348382 /nfs/dbraw/zinc/34/83/82/675348382.db2.gz DFONLLAUFHGCQJ-UHFFFAOYSA-N 0 1 350.400 1.366 20 5 FDBDMN C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1nncn1C ZINC000281305925 675508536 /nfs/dbraw/zinc/50/85/36/675508536.db2.gz ZOVKXLRKVFVIFA-LURJTMIESA-N 0 1 363.758 1.555 20 5 FDBDMN CCc1cnc(CNS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)o1 ZINC000281581091 675532028 /nfs/dbraw/zinc/53/20/28/675532028.db2.gz WLLWHWDNVYUBDA-UHFFFAOYSA-N 0 1 359.335 1.771 20 5 FDBDMN CCNC(=O)OC[C@@H]1CCCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000286003068 675860763 /nfs/dbraw/zinc/86/07/63/675860763.db2.gz OIPBCSBVFVXOSP-JTQLQIEISA-N 0 1 353.379 1.621 20 5 FDBDMN CCOC(=O)[C@H](C(=O)Cn1cc([N+](=O)[O-])c(C)n1)c1nc(C)cs1 ZINC000295413065 676405416 /nfs/dbraw/zinc/40/54/16/676405416.db2.gz SUKRNYDWWJWMPY-GFCCVEGCSA-N 0 1 352.372 1.781 20 5 FDBDMN CCOC(=O)C(C(=O)Cn1cc([N+](=O)[O-])c(C)n1)c1nc(C)cs1 ZINC000295413065 676405418 /nfs/dbraw/zinc/40/54/18/676405418.db2.gz SUKRNYDWWJWMPY-GFCCVEGCSA-N 0 1 352.372 1.781 20 5 FDBDMN CCOC(=O)C(=C(O)Cn1cc([N+](=O)[O-])c(C)n1)c1nc(C)cs1 ZINC000295413065 676405420 /nfs/dbraw/zinc/40/54/20/676405420.db2.gz SUKRNYDWWJWMPY-GFCCVEGCSA-N 0 1 352.372 1.781 20 5 FDBDMN CNS(=O)(=O)c1ccc(NC[C@H](c2ccco2)N(C)C)c([N+](=O)[O-])c1 ZINC000298193244 676439170 /nfs/dbraw/zinc/43/91/70/676439170.db2.gz BDBWAWGBUGTQJL-CQSZACIVSA-N 0 1 368.415 1.811 20 5 FDBDMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CN1C1CC1 ZINC000299370302 676531395 /nfs/dbraw/zinc/53/13/95/676531395.db2.gz RVIVUWZCCCGRTJ-NXEZZACHSA-N 0 1 366.805 1.928 20 5 FDBDMN Cc1c(CNC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000334074790 676778967 /nfs/dbraw/zinc/77/89/67/676778967.db2.gz QWZWURDNFNREDV-CHWSQXEVSA-N 0 1 350.419 1.500 20 5 FDBDMN CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000365200193 677355447 /nfs/dbraw/zinc/35/54/47/677355447.db2.gz GTONGORTPLIXJR-NXEZZACHSA-N 0 1 354.363 1.063 20 5 FDBDMN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000365771582 677380791 /nfs/dbraw/zinc/38/07/91/677380791.db2.gz YLWOZVQUUADEGK-MRVPVSSYSA-N 0 1 368.756 1.849 20 5 FDBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccccc32)c1[N+](=O)[O-] ZINC000366596233 677453970 /nfs/dbraw/zinc/45/39/70/677453970.db2.gz HVKJBFZWPPBVHV-LLVKDONJSA-N 0 1 364.383 1.481 20 5 FDBDMN O=C([C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)N1CCOCC1 ZINC000376995986 678421609 /nfs/dbraw/zinc/42/16/09/678421609.db2.gz DZCAUAMCQSWZET-AWEZNQCLSA-N 0 1 351.378 1.805 20 5 FDBDMN O=C([C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1)N1CCOCC1 ZINC000376995986 678421611 /nfs/dbraw/zinc/42/16/11/678421611.db2.gz DZCAUAMCQSWZET-AWEZNQCLSA-N 0 1 351.378 1.805 20 5 FDBDMN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000377189836 678477995 /nfs/dbraw/zinc/47/79/95/678477995.db2.gz RSVBEFBGTHGRFT-DZGCQCFKSA-N 0 1 353.444 1.926 20 5 FDBDMN COC(=O)[C@H]1CSCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000412955212 679225534 /nfs/dbraw/zinc/22/55/34/679225534.db2.gz QUDWMBRYYSRPMA-SECBINFHSA-N 0 1 356.404 1.420 20 5 FDBDMN C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)CN1CCO ZINC000418115204 680002600 /nfs/dbraw/zinc/00/26/00/680002600.db2.gz PBUYDPKSMVTGTP-CHWSQXEVSA-N 0 1 351.403 1.348 20 5 FDBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](c3nc[nH]n3)C2)c1C ZINC000425216343 680887003 /nfs/dbraw/zinc/88/70/03/680887003.db2.gz QOFKUIJSPMELSN-LLVKDONJSA-N 0 1 351.388 1.508 20 5 FDBDMN NC(=O)c1ccc(C(F)(F)F)n(Cc2cc(O)ccc2[N+](=O)[O-])c1=O ZINC000436472991 681695590 /nfs/dbraw/zinc/69/55/90/681695590.db2.gz CYAYZADKYOZWHI-UHFFFAOYSA-N 0 1 357.244 1.628 20 5 FDBDMN COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1C ZINC000436982781 681751055 /nfs/dbraw/zinc/75/10/55/681751055.db2.gz YQYPKVILJBGXJC-LLVKDONJSA-N 0 1 351.359 1.010 20 5 FDBDMN COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1C ZINC000436982781 681751061 /nfs/dbraw/zinc/75/10/61/681751061.db2.gz YQYPKVILJBGXJC-LLVKDONJSA-N 0 1 351.359 1.010 20 5 FDBDMN CC(C)[C@@H](C)N(C)c1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000443437404 682299295 /nfs/dbraw/zinc/29/92/95/682299295.db2.gz OZWFTCUDWJLKLX-CYBMUJFWSA-N 0 1 372.491 1.915 20 5 FDBDMN CC1(C)CCCN(CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000443959324 682366515 /nfs/dbraw/zinc/36/65/15/682366515.db2.gz HTWOQSQDTCHGQS-UHFFFAOYSA-N 0 1 356.448 1.776 20 5 FDBDMN Cc1c(Br)c(NCCN2C[C@H]3CC[C@@H](C2)O3)ncc1[N+](=O)[O-] ZINC000450787363 682780682 /nfs/dbraw/zinc/78/06/82/682780682.db2.gz FTZBEWGKONNKJB-PHIMTYICSA-N 0 1 371.235 2.336 20 5 FDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1(CF)CCOCC1 ZINC000451810751 682943685 /nfs/dbraw/zinc/94/36/85/682943685.db2.gz CRIFQZYQHKJCHN-UHFFFAOYSA-N 0 1 350.343 1.779 20 5 FDBDMN CCOc1ccc(C(=O)NC[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000452798633 683121074 /nfs/dbraw/zinc/12/10/74/683121074.db2.gz OZGFDVVYOLVHDH-AWEZNQCLSA-N 0 1 351.403 1.570 20 5 FDBDMN CNc1nc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000454397365 683311756 /nfs/dbraw/zinc/31/17/56/683311756.db2.gz YZBVNZYCEPXRKP-LBPRGKRZSA-N 0 1 351.407 1.118 20 5 FDBDMN CCCCN(C)C[C@H](C)NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000456034258 683559896 /nfs/dbraw/zinc/55/98/96/683559896.db2.gz CZHORLCFUBWWEA-LBPRGKRZSA-N 0 1 371.459 1.849 20 5 FDBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2CS(C)(=O)=O)c1[N+](=O)[O-] ZINC000456180819 683582029 /nfs/dbraw/zinc/58/20/29/683582029.db2.gz CRZXNTUKLHICBJ-SNVBAGLBSA-N 0 1 358.420 1.481 20 5 FDBDMN O=C(NCCN1CCC(O)CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000456579030 683648732 /nfs/dbraw/zinc/64/87/32/683648732.db2.gz FHEGOXRFGOJGSL-UHFFFAOYSA-N 0 1 359.329 1.383 20 5 FDBDMN CCc1[nH]nc(C(=O)N2CCN(CC(F)(F)F)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000456666415 683663540 /nfs/dbraw/zinc/66/35/40/683663540.db2.gz WAHCIUFFRDLDQT-VIFPVBQESA-N 0 1 363.340 1.837 20 5 FDBDMN C[C@H](NC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000458619585 684293648 /nfs/dbraw/zinc/29/36/48/684293648.db2.gz MYWFCHQROCFLND-MJBXVCDLSA-N 0 1 350.419 1.752 20 5 FDBDMN CCNC(=O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462480411 684642534 /nfs/dbraw/zinc/64/25/34/684642534.db2.gz LZSSTEXKVJHOTC-UHFFFAOYSA-N 0 1 356.187 1.316 20 5 FDBDMN C[C@H]1C[C@@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000462495385 684644458 /nfs/dbraw/zinc/64/44/58/684644458.db2.gz OPPINHFMXUIAEX-QWRGUYRKSA-N 0 1 371.415 1.127 20 5 FDBDMN O=C(NCc1cc(Br)cc2c1OCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000462841048 684663777 /nfs/dbraw/zinc/66/37/77/684663777.db2.gz OQJSBNDXTYUWLY-UHFFFAOYSA-N 0 1 367.159 1.945 20 5 FDBDMN COC(C)(C)CNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000463069641 684672159 /nfs/dbraw/zinc/67/21/59/684672159.db2.gz KVEAVKOZKRQFOX-UHFFFAOYSA-N 0 1 374.463 1.272 20 5 FDBDMN C[C@H]1[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CCCN1C ZINC000464211956 684730702 /nfs/dbraw/zinc/73/07/02/684730702.db2.gz KJWXUNSPUKLSEL-WCQYABFASA-N 0 1 364.427 1.904 20 5 FDBDMN CC[C@@H](CO)N1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000464755844 684759518 /nfs/dbraw/zinc/75/95/18/684759518.db2.gz KTHAWZTXPNXURC-AWEZNQCLSA-N 0 1 350.419 1.230 20 5 FDBDMN CCC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1nn[nH]n1 ZINC000467645635 684870895 /nfs/dbraw/zinc/87/08/95/684870895.db2.gz ZYTXUYMBFYYBNB-JTQLQIEISA-N 0 1 350.335 1.153 20 5 FDBDMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000472684672 685234537 /nfs/dbraw/zinc/23/45/37/685234537.db2.gz GRZXTTQPOBYCMH-YGRLFVJLSA-N 0 1 350.350 1.225 20 5 FDBDMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000472684671 685234659 /nfs/dbraw/zinc/23/46/59/685234659.db2.gz GRZXTTQPOBYCMH-QMTHXVAHSA-N 0 1 350.350 1.225 20 5 FDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCc1cn2ccccc2n1 ZINC000477190513 685826194 /nfs/dbraw/zinc/82/61/94/685826194.db2.gz JRJMWHHDMRACMB-UHFFFAOYSA-N 0 1 364.358 1.903 20 5 FDBDMN Cc1nc([C@H]2CN(c3cccc(S(C)(=O)=O)c3[N+](=O)[O-])CCO2)n[nH]1 ZINC000497534935 687685675 /nfs/dbraw/zinc/68/56/75/687685675.db2.gz RSJSZGNKTCCPTJ-LLVKDONJSA-N 0 1 367.387 1.003 20 5 FDBDMN CCN1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000498567059 687812561 /nfs/dbraw/zinc/81/25/61/687812561.db2.gz LORDTXVNTWJTBB-CHWSQXEVSA-N 0 1 351.403 1.923 20 5 FDBDMN NS(=O)(=O)Cc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000506199484 688556453 /nfs/dbraw/zinc/55/64/53/688556453.db2.gz QAPSPDIBWRCQDB-UHFFFAOYSA-N 0 1 351.340 1.341 20 5 FDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(NC(=O)CO)c1 ZINC000518688675 690155741 /nfs/dbraw/zinc/15/57/41/690155741.db2.gz KMASCFAKEUBFSG-UHFFFAOYSA-N 0 1 365.367 1.635 20 5 FDBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000520982336 690371903 /nfs/dbraw/zinc/37/19/03/690371903.db2.gz FFMGHUGQZYAESZ-UHFFFAOYSA-N 0 1 361.335 1.588 20 5 FDBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000524755779 694577232 /nfs/dbraw/zinc/57/72/32/694577232.db2.gz AICZHZKSFCONMN-NWDGAFQWSA-N 0 1 352.313 1.196 20 5 FDBDMN CCCOc1ncccc1CNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000532853108 694891920 /nfs/dbraw/zinc/89/19/20/694891920.db2.gz GBPKUTNCGOBUER-UHFFFAOYSA-N 0 1 369.403 1.474 20 5 FDBDMN COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000535617281 694907185 /nfs/dbraw/zinc/90/71/85/694907185.db2.gz QSSQPRQDAWERCU-SSDOTTSWSA-N 0 1 372.733 1.723 20 5 FDBDMN Cc1cc(N2C[C@H]3OCCN(C)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301637622 719454714 /nfs/dbraw/zinc/45/47/14/719454714.db2.gz 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FVPABMVLVILCDB-UHFFFAOYSA-N 0 1 368.386 1.120 20 5 FDBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000597622876 552813389 /nfs/dbraw/zinc/81/33/89/552813389.db2.gz PWFRCVBBFUCKEM-UHFFFAOYSA-N 0 1 362.342 1.859 20 5 FDBDMN CCCc1[nH]nc(C(=O)N2CCN(c3ncns3)CC2)c1[N+](=O)[O-] ZINC000597726986 552826986 /nfs/dbraw/zinc/82/69/86/552826986.db2.gz YFLPIWNNHVEUNZ-UHFFFAOYSA-N 0 1 351.392 1.084 20 5 FDBDMN O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597990302 552853247 /nfs/dbraw/zinc/85/32/47/552853247.db2.gz LDLBQUCOTSVMRA-OAHLLOKOSA-N 0 1 372.381 1.192 20 5 FDBDMN O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597990302 552853248 /nfs/dbraw/zinc/85/32/48/552853248.db2.gz LDLBQUCOTSVMRA-OAHLLOKOSA-N 0 1 372.381 1.192 20 5 FDBDMN COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])CCC2 ZINC000598106355 552864739 /nfs/dbraw/zinc/86/47/39/552864739.db2.gz PLKDZFJRVXZUKJ-GFCCVEGCSA-N 0 1 358.354 1.954 20 5 FDBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000598171988 552871808 /nfs/dbraw/zinc/87/18/08/552871808.db2.gz KCTGGDTZYSASMJ-JSGCOSHPSA-N 0 1 369.381 1.726 20 5 FDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000598400810 552892702 /nfs/dbraw/zinc/89/27/02/552892702.db2.gz YQMGKUNZDYPLSQ-NSHDSACASA-N 0 1 357.370 1.556 20 5 FDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000598509161 552903902 /nfs/dbraw/zinc/90/39/02/552903902.db2.gz JFIXBLRCEDKRDD-MRXNPFEDSA-N 0 1 357.414 1.881 20 5 FDBDMN COCCCN(C)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598612080 552915737 /nfs/dbraw/zinc/91/57/37/552915737.db2.gz LEMZPXFINXCLFJ-UHFFFAOYSA-N 0 1 359.448 1.458 20 5 FDBDMN CCc1nc([C@@H](C)NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000598899654 552941225 /nfs/dbraw/zinc/94/12/25/552941225.db2.gz LCKJRGUJLIEWIE-SECBINFHSA-N 0 1 361.362 1.274 20 5 FDBDMN CC1(N2CCOCC2)CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000599161463 552976975 /nfs/dbraw/zinc/97/69/75/552976975.db2.gz XVLGFKULHJSHGB-UHFFFAOYSA-N 0 1 373.413 1.935 20 5 FDBDMN Cc1ccc(CSCCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599207522 552985553 /nfs/dbraw/zinc/98/55/53/552985553.db2.gz PGXPUHQTMAVYFW-UHFFFAOYSA-N 0 1 370.456 1.848 20 5 FDBDMN COc1ccc(Cl)cc1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599222179 552991821 /nfs/dbraw/zinc/99/18/21/552991821.db2.gz WILTUUMXWKPFBA-UHFFFAOYSA-N 0 1 360.779 1.469 20 5 FDBDMN CCO[C@H](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CCCC1 ZINC000599249774 553002256 /nfs/dbraw/zinc/00/22/56/553002256.db2.gz ZJOPPFWGWDIRJA-CYBMUJFWSA-N 0 1 360.436 1.592 20 5 FDBDMN C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000599256219 553004900 /nfs/dbraw/zinc/00/49/00/553004900.db2.gz WYGGTKAXCGFFNF-ISTVAULSSA-N 0 1 366.399 1.560 20 5 FDBDMN C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599271469 553010633 /nfs/dbraw/zinc/01/06/33/553010633.db2.gz LERZDGHWKGWWOG-VXGBXAGGSA-N 0 1 371.463 1.260 20 5 FDBDMN C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000599271469 553010635 /nfs/dbraw/zinc/01/06/35/553010635.db2.gz LERZDGHWKGWWOG-VXGBXAGGSA-N 0 1 371.463 1.260 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(Cc3cccc(F)c3)CCC2)n1 ZINC000599280585 553013699 /nfs/dbraw/zinc/01/36/99/553013699.db2.gz CCILTZFQUABCCC-UHFFFAOYSA-N 0 1 368.390 1.911 20 5 FDBDMN COC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599292077 553017912 /nfs/dbraw/zinc/01/79/12/553017912.db2.gz XIDDFMVYOGMWAJ-NSHDSACASA-N 0 1 374.806 1.648 20 5 FDBDMN COc1cc(CCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])ccc1Cl ZINC000599314031 553024010 /nfs/dbraw/zinc/02/40/10/553024010.db2.gz RMJBUNDXYOMIOK-UHFFFAOYSA-N 0 1 374.806 1.511 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000599328922 553028859 /nfs/dbraw/zinc/02/88/59/553028859.db2.gz XAIMBNFNPBSQLR-LLVKDONJSA-N 0 1 369.378 1.025 20 5 FDBDMN COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000599593146 553098059 /nfs/dbraw/zinc/09/80/59/553098059.db2.gz XURVBIHMQURWKQ-HZMBPMFUSA-N 0 1 352.343 1.227 20 5 FDBDMN COC[C@]1(C)CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000599700434 553125328 /nfs/dbraw/zinc/12/53/28/553125328.db2.gz UCDYSRGAIKOEFB-KRWDZBQOSA-N 0 1 351.403 1.969 20 5 FDBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599938328 553178097 /nfs/dbraw/zinc/17/80/97/553178097.db2.gz NONUWOJXFADEJN-UONOGXRCSA-N 0 1 365.455 1.988 20 5 FDBDMN O=C(NC1CC([NH+]2CCOCC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000600065711 553211792 /nfs/dbraw/zinc/21/17/92/553211792.db2.gz CQENULKFXRGPBQ-UHFFFAOYSA-N 0 1 355.778 1.547 20 5 FDBDMN CCc1n[nH]c(C(=O)N2CCC(C)(N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600411061 553263615 /nfs/dbraw/zinc/26/36/15/553263615.db2.gz QZUBGNUBMJLTEN-UHFFFAOYSA-N 0 1 351.407 1.207 20 5 FDBDMN CCc1[nH]nc(C(=O)N2CCC(C)(N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600411061 553263618 /nfs/dbraw/zinc/26/36/18/553263618.db2.gz QZUBGNUBMJLTEN-UHFFFAOYSA-N 0 1 351.407 1.207 20 5 FDBDMN C[C@H]1CC(C(=O)[O-])C[C@H](C)[NH+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600673777 553298066 /nfs/dbraw/zinc/29/80/66/553298066.db2.gz HKBUHKVLNCKSNP-RYUDHWBXSA-N 0 1 370.427 1.942 20 5 FDBDMN O=C(NCCN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000600808772 553317144 /nfs/dbraw/zinc/31/71/44/553317144.db2.gz QETRYRWHLJHEEQ-JTQLQIEISA-N 0 1 358.192 1.154 20 5 FDBDMN C[C@@H]1CN(CC(C)(C)O)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601151265 553353366 /nfs/dbraw/zinc/35/33/66/553353366.db2.gz UZZQCIPKVJTIRK-SECBINFHSA-N 0 1 365.356 1.629 20 5 FDBDMN O=[N+]([O-])c1cccc(N2CCN(C[C@@H](O)CC3(O)CCOCC3)CC2)c1 ZINC000601955793 553496058 /nfs/dbraw/zinc/49/60/58/553496058.db2.gz OKRHVYNYUHYYGI-KRWDZBQOSA-N 0 1 365.430 1.009 20 5 FDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(CCc2ccncc2)CC1 ZINC000602197455 553537802 /nfs/dbraw/zinc/53/78/02/553537802.db2.gz FIXKJNNODLTQRN-UHFFFAOYSA-N 0 1 356.382 1.696 20 5 FDBDMN CCOC(=O)C1(COC)CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602820726 553644843 /nfs/dbraw/zinc/64/48/43/553644843.db2.gz KOFCSZPKOIYDOL-UHFFFAOYSA-N 0 1 354.407 1.391 20 5 FDBDMN O=C(N[C@@H]1CCCN(CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000603409844 553781990 /nfs/dbraw/zinc/78/19/90/553781990.db2.gz PTGCDXUXTDTDDD-MRXNPFEDSA-N 0 1 362.430 1.121 20 5 FDBDMN COc1ccc(C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000604286108 553859615 /nfs/dbraw/zinc/85/96/15/553859615.db2.gz LFUHWROXVWFDKA-AWEZNQCLSA-N 0 1 354.326 1.636 20 5 FDBDMN CC(C)(C(=O)N1CCCN(C[C@@H]2CCCO2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000608812912 554322309 /nfs/dbraw/zinc/32/23/09/554322309.db2.gz OYGRUOBSKSCRKI-HNNXBMFYSA-N 0 1 365.434 1.240 20 5 FDBDMN CN1CCN(C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)c2ccccc2)CC1 ZINC000609024658 554334179 /nfs/dbraw/zinc/33/41/79/554334179.db2.gz HRFPJIYMOMJSSI-MRXNPFEDSA-N 0 1 357.414 1.641 20 5 FDBDMN C[C@@H]1C[C@H](C)N(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])C1 ZINC000610685185 554549478 /nfs/dbraw/zinc/54/94/78/554549478.db2.gz KQCPNWGOGFQAIJ-OLZOCXBDSA-N 0 1 370.475 1.669 20 5 FDBDMN CC(C)c1[nH]nc(C(=O)N2CCc3ccccc3[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000610922499 554581187 /nfs/dbraw/zinc/58/11/87/554581187.db2.gz MBNQQTYZBHDHRX-AWEZNQCLSA-N 0 1 357.370 1.666 20 5 FDBDMN CCn1cc(S(=O)(=O)[N-]c2ccnn2-c2cc[nH+]cc2)c([N+](=O)[O-])n1 ZINC000611028926 554597588 /nfs/dbraw/zinc/59/75/88/554597588.db2.gz JLSAMEPOEXMQGT-UHFFFAOYSA-N 0 1 363.359 1.193 20 5 FDBDMN CCOc1ccc(NC(=O)CN2CCN(CC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000611092505 554604408 /nfs/dbraw/zinc/60/44/08/554604408.db2.gz WQZNQYSGZQEZBD-CYBMUJFWSA-N 0 1 350.419 1.958 20 5 FDBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000611155900 554610456 /nfs/dbraw/zinc/61/04/56/554610456.db2.gz WHUDOQIYQIZWOH-IRXDYDNUSA-N 0 1 362.430 1.378 20 5 FDBDMN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000611195871 554614098 /nfs/dbraw/zinc/61/40/98/554614098.db2.gz BHJXKDPVABKDBG-ZBFHGGJFSA-N 0 1 358.398 1.747 20 5 FDBDMN O=[N+]([O-])c1cc2c(cc1CN1CCN([C@H]3CCC[C@@H]3O)CC1)OCCO2 ZINC000611268392 554620407 /nfs/dbraw/zinc/62/04/07/554620407.db2.gz GOLYEIDJAMGMGR-HOCLYGCPSA-N 0 1 363.414 1.397 20 5 FDBDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccnc1NC(C)=O ZINC000619507640 555792540 /nfs/dbraw/zinc/79/25/40/555792540.db2.gz WWEJZNFNZJKUSK-UHFFFAOYSA-N 0 1 366.355 1.758 20 5 FDBDMN Cc1cc(OCC(=O)N[C@H](c2nn[nH]n2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000619563915 555799850 /nfs/dbraw/zinc/79/98/50/555799850.db2.gz BZGGEOVTCSTYMF-INIZCTEOSA-N 0 1 368.353 1.701 20 5 FDBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CN2CCN1CCC2 ZINC000619874106 555847372 /nfs/dbraw/zinc/84/73/72/555847372.db2.gz YSWMYSBKBNSBOH-CQSZACIVSA-N 0 1 352.822 1.297 20 5 FDBDMN CCOCCN1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000736624227 598334170 /nfs/dbraw/zinc/33/41/70/598334170.db2.gz RWVVINVBXNMUBM-GFCCVEGCSA-N 0 1 361.406 1.322 20 5 FDBDMN 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/nfs/dbraw/zinc/47/51/45/674475145.db2.gz CWLFMIRQPTVDAG-VIFPVBQESA-N 0 1 371.444 1.870 20 5 FDBDMN Cc1nnc([C@H]2CCCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)[nH]1 ZINC000272795800 674475146 /nfs/dbraw/zinc/47/51/46/674475146.db2.gz CWLFMIRQPTVDAG-VIFPVBQESA-N 0 1 371.444 1.870 20 5 FDBDMN COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000262618932 600134953 /nfs/dbraw/zinc/13/49/53/600134953.db2.gz CHKCAKKVPWJLOS-WDEREUQCSA-N 0 1 351.359 1.727 20 5 FDBDMN COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000262618932 600134957 /nfs/dbraw/zinc/13/49/57/600134957.db2.gz CHKCAKKVPWJLOS-WDEREUQCSA-N 0 1 351.359 1.727 20 5 FDBDMN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C2CCCCC2)CC1 ZINC000272896131 674486223 /nfs/dbraw/zinc/48/62/23/674486223.db2.gz KUQKLNCVOXRCQC-UHFFFAOYSA-N 0 1 368.459 1.697 20 5 FDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000832098176 601929441 /nfs/dbraw/zinc/92/94/41/601929441.db2.gz 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CC(C)c1ncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000976479064 803435310 /nfs/dbraw/zinc/43/53/10/803435310.db2.gz UTLGEYRIVOKODP-HMUNZLOLSA-N 0 1 364.427 1.118 20 5 FDBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)c1ccc(C2CC2)s1 ZINC000976857874 803989651 /nfs/dbraw/zinc/98/96/51/803989651.db2.gz CLWGZYBKHAJMAD-OVKLUEDNSA-N 0 1 361.423 1.477 20 5 FDBDMN Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)c(C2CC2)n1 ZINC000976887705 804031406 /nfs/dbraw/zinc/03/14/06/804031406.db2.gz HMXWWQQNWGLVGP-GAGVYUBLSA-N 0 1 370.409 1.119 20 5 FDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(Cc2nnc(-c3ccccc3)o2)CC1 ZINC000981137672 807576933 /nfs/dbraw/zinc/57/69/33/807576933.db2.gz CQWUVSRWTAAGME-HUUCEWRRSA-N 0 1 371.397 1.436 20 5 FDBDMN CC(C)(C)c1cnc(CN2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000981138006 807578502 /nfs/dbraw/zinc/57/85/02/807578502.db2.gz KOBYSTWRFSJAQQ-CHWSQXEVSA-N 0 1 350.419 1.672 20 5 FDBDMN 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359.386 1.739 20 5 FDBDMN COCc1nc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000596356110 552675467 /nfs/dbraw/zinc/67/54/67/552675467.db2.gz FNKPCERXRXIZEG-UHFFFAOYSA-N 0 1 362.390 1.681 20 5 FDBDMN COCc1nnc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000596356110 552675468 /nfs/dbraw/zinc/67/54/68/552675468.db2.gz FNKPCERXRXIZEG-UHFFFAOYSA-N 0 1 362.390 1.681 20 5 FDBDMN COCc1nc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)n[nH]1 ZINC000596436964 552679382 /nfs/dbraw/zinc/67/93/82/552679382.db2.gz SJTRKMRSKFIKOC-UHFFFAOYSA-N 0 1 360.374 1.707 20 5 FDBDMN COCc1nnc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[nH]1 ZINC000596436964 552679383 /nfs/dbraw/zinc/67/93/83/552679383.db2.gz SJTRKMRSKFIKOC-UHFFFAOYSA-N 0 1 360.374 1.707 20 5 FDBDMN CN1CCN(c2ccc(-c3noc(Cn4cc([N+](=O)[O-])cn4)n3)nc2)CC1 ZINC000596605668 552693878 /nfs/dbraw/zinc/69/38/78/552693878.db2.gz NYTYCFSGWIXZKZ-UHFFFAOYSA-N 0 1 370.373 1.036 20 5 FDBDMN CN1CC2(C1)CCN(C(=O)COc1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000597570749 552806082 /nfs/dbraw/zinc/80/60/82/552806082.db2.gz CEFLGAXDKGBZFD-UHFFFAOYSA-N 0 1 356.382 1.686 20 5 FDBDMN C[C@H]1[C@@H](N(C)C)CCN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000597700565 552823899 /nfs/dbraw/zinc/82/38/99/552823899.db2.gz NPRULAXZOVSNEK-JQWIXIFHSA-N 0 1 355.416 1.163 20 5 FDBDMN CCc1nc(C2CCN(c3nccc(C(=O)OC)c3[N+](=O)[O-])CC2)n[nH]1 ZINC000598619099 552916538 /nfs/dbraw/zinc/91/65/38/552916538.db2.gz ALAQBBXQINDUDN-UHFFFAOYSA-N 0 1 360.374 1.841 20 5 FDBDMN CCc1nnc(C2CCN(c3nccc(C(=O)OC)c3[N+](=O)[O-])CC2)[nH]1 ZINC000598619099 552916540 /nfs/dbraw/zinc/91/65/40/552916540.db2.gz ALAQBBXQINDUDN-UHFFFAOYSA-N 0 1 360.374 1.841 20 5 FDBDMN O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598770327 552932713 /nfs/dbraw/zinc/93/27/13/552932713.db2.gz UQOKKUFAVAVIMU-OAHLLOKOSA-N 0 1 372.381 1.192 20 5 FDBDMN O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598770327 552932715 /nfs/dbraw/zinc/93/27/15/552932715.db2.gz UQOKKUFAVAVIMU-OAHLLOKOSA-N 0 1 372.381 1.192 20 5 FDBDMN CN(C)C(=O)[C@](C)(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000598853831 552937529 /nfs/dbraw/zinc/93/75/29/552937529.db2.gz JRGPLCQLALUROS-ZDUSSCGKSA-N 0 1 373.291 1.610 20 5 FDBDMN O=C(NCC(=O)N1CCC(c2cnc[nH]2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000598900585 552941635 /nfs/dbraw/zinc/94/16/35/552941635.db2.gz KQNOYHXBWPYPRQ-UHFFFAOYSA-N 0 1 372.385 1.846 20 5 FDBDMN C[C@@H](OCCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000599210056 552986757 /nfs/dbraw/zinc/98/67/57/552986757.db2.gz XXJWUOBGJCFHNM-GFCCVEGCSA-N 0 1 368.415 1.775 20 5 FDBDMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599218307 552990496 /nfs/dbraw/zinc/99/04/96/552990496.db2.gz PUORAUQLUANFSO-UHFFFAOYSA-N 0 1 359.452 1.069 20 5 FDBDMN CCN(CC)[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccco1 ZINC000599226365 552993586 /nfs/dbraw/zinc/99/35/86/552993586.db2.gz VXUSCYGLGYKXEA-LLVKDONJSA-N 0 1 371.419 1.283 20 5 FDBDMN C[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])Sc1ccccc1 ZINC000599250065 553002158 /nfs/dbraw/zinc/00/21/58/553002158.db2.gz IWVLEFWJZRBPTG-JTQLQIEISA-N 0 1 356.429 1.787 20 5 FDBDMN CCC1CCC(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])(C(=O)OC)CC1 ZINC000599252569 553003334 /nfs/dbraw/zinc/00/33/34/553003334.db2.gz SVAFOQGKDFGAEI-UHFFFAOYSA-N 0 1 374.419 1.119 20 5 FDBDMN CCO[C@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C12CCCCC2 ZINC000599252809 553003456 /nfs/dbraw/zinc/00/34/56/553003456.db2.gz TXQIRBMDXWMOLZ-OLZOCXBDSA-N 0 1 372.447 1.735 20 5 FDBDMN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C12CCCC2 ZINC000599253829 553003818 /nfs/dbraw/zinc/00/38/18/553003818.db2.gz OGWDRPPFYXVZNW-VXGBXAGGSA-N 0 1 358.420 1.344 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000599256089 553004582 /nfs/dbraw/zinc/00/45/82/553004582.db2.gz RMKNNZQAEMLYQE-IUCAKERBSA-N 0 1 370.353 1.975 20 5 FDBDMN C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000599256218 553004795 /nfs/dbraw/zinc/00/47/95/553004795.db2.gz WYGGTKAXCGFFNF-BHDSKKPTSA-N 0 1 366.399 1.560 20 5 FDBDMN Cc1ccc(C(C)(C)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])nc1 ZINC000599412847 553050915 /nfs/dbraw/zinc/05/09/15/553050915.db2.gz PHZKAMUTFXYMPN-UHFFFAOYSA-N 0 1 350.400 1.949 20 5 FDBDMN COC(=O)c1cnc(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)s1 ZINC000599555901 553085559 /nfs/dbraw/zinc/08/55/59/553085559.db2.gz YNTOJQMXDTYGKA-UHFFFAOYSA-N 0 1 365.415 1.914 20 5 FDBDMN CC(=O)NC[C@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000599697787 553124256 /nfs/dbraw/zinc/12/42/56/553124256.db2.gz AAIVKRVXUXDLHZ-HZPDHXFCSA-N 0 1 351.403 1.325 20 5 FDBDMN O=C(NCCN1CC[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599733528 553133509 /nfs/dbraw/zinc/13/35/09/553133509.db2.gz UZKVFBBNEQBRKB-JTQLQIEISA-N 0 1 360.317 1.384 20 5 FDBDMN O=C(CCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599938446 553178246 /nfs/dbraw/zinc/17/82/46/553178246.db2.gz APXJOZRVBMMFHS-HZPDHXFCSA-N 0 1 361.398 1.225 20 5 FDBDMN CN1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000600311509 553247546 /nfs/dbraw/zinc/24/75/46/553247546.db2.gz BOLXBPLOKKRNIV-GFCCVEGCSA-N 0 1 369.443 1.460 20 5 FDBDMN O=C(NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000600312947 553247890 /nfs/dbraw/zinc/24/78/90/553247890.db2.gz VJRAFVSKPZYMGN-GFCCVEGCSA-N 0 1 365.777 1.607 20 5 FDBDMN COC(=O)[C@@](C)(NC(=O)[C@H]1CCCc2n[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000600537888 553282107 /nfs/dbraw/zinc/28/21/07/553282107.db2.gz PPWGYOOFGVHDIQ-SJCJKPOMSA-N 0 1 373.369 1.337 20 5 FDBDMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600673774 553297924 /nfs/dbraw/zinc/29/79/24/553297924.db2.gz HKBUHKVLNCKSNP-CLLJXQQHSA-N 0 1 370.427 1.942 20 5 FDBDMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600673774 553297926 /nfs/dbraw/zinc/29/79/26/553297926.db2.gz HKBUHKVLNCKSNP-CLLJXQQHSA-N 0 1 370.427 1.942 20 5 FDBDMN Cn1ncc(C(F)(F)F)c1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600744596 553309841 /nfs/dbraw/zinc/30/98/41/553309841.db2.gz GYMKPKONFPNQRP-NSHDSACASA-N 0 1 374.319 1.877 20 5 FDBDMN CN([C@H]1CN2CCC1CC2)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000601445507 553407723 /nfs/dbraw/zinc/40/77/23/553407723.db2.gz DIFCMPRAXLHDHF-INIZCTEOSA-N 0 1 353.444 1.493 20 5 FDBDMN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCCN(C)C1=O ZINC000601971953 553497577 /nfs/dbraw/zinc/49/75/77/553497577.db2.gz XNXPXCOXSSVZPW-UKRRQHHQSA-N 0 1 351.403 1.277 20 5 FDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000602891462 553662283 /nfs/dbraw/zinc/66/22/83/553662283.db2.gz NKQQPJGWRCIROM-HNNXBMFYSA-N 0 1 367.471 1.940 20 5 FDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000602891462 553662285 /nfs/dbraw/zinc/66/22/85/553662285.db2.gz NKQQPJGWRCIROM-HNNXBMFYSA-N 0 1 367.471 1.940 20 5 FDBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000602987910 553686963 /nfs/dbraw/zinc/68/69/63/553686963.db2.gz VRMGZYYVWVDWHW-VHRBIJSZSA-N 0 1 364.320 1.437 20 5 FDBDMN COc1cc([N+](=O)[O-])cn(CCCN2CCN(c3ccccc3)CC2)c1=O ZINC000603357870 553770816 /nfs/dbraw/zinc/77/08/16/553770816.db2.gz HCKFRGRONOWZJW-UHFFFAOYSA-N 0 1 372.425 1.977 20 5 FDBDMN O=C(N[C@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000603408122 553781370 /nfs/dbraw/zinc/78/13/70/553781370.db2.gz BWOSMCWMRBWWGN-HNNXBMFYSA-N 0 1 362.430 1.121 20 5 FDBDMN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000603424002 553784778 /nfs/dbraw/zinc/78/47/78/553784778.db2.gz UPJBSYNQMRVQDS-CQSZACIVSA-N 0 1 369.853 1.852 20 5 FDBDMN O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603424437 553785149 /nfs/dbraw/zinc/78/51/49/553785149.db2.gz VUNGJQHMSQVBON-CQSZACIVSA-N 0 1 353.398 1.337 20 5 FDBDMN O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000603424437 553785151 /nfs/dbraw/zinc/78/51/51/553785151.db2.gz VUNGJQHMSQVBON-CQSZACIVSA-N 0 1 353.398 1.337 20 5 FDBDMN Cn1c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000603668782 553809003 /nfs/dbraw/zinc/80/90/03/553809003.db2.gz UVVRKBBYMHCQHG-UHFFFAOYSA-N 0 1 357.414 1.933 20 5 FDBDMN CCN1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])n3C)cn2)CC1 ZINC000603695013 553810546 /nfs/dbraw/zinc/81/05/46/553810546.db2.gz GEORFUGKRIOBMY-UHFFFAOYSA-N 0 1 372.429 1.400 20 5 FDBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000609285436 554359653 /nfs/dbraw/zinc/35/96/53/554359653.db2.gz IXHJWQLNIQXIII-MSOLQXFVSA-N 0 1 372.425 1.607 20 5 FDBDMN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000609285306 554359843 /nfs/dbraw/zinc/35/98/43/554359843.db2.gz HCYIIAOWRXYLMW-IRXDYDNUSA-N 0 1 358.398 1.747 20 5 FDBDMN CCCN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609517990 554386266 /nfs/dbraw/zinc/38/62/66/554386266.db2.gz MIYITSBKBHXDBA-CYBMUJFWSA-N 0 1 364.402 1.347 20 5 FDBDMN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)N1CCCC1 ZINC000609770934 554420258 /nfs/dbraw/zinc/42/02/58/554420258.db2.gz ONFQCYQMIQRTHO-UHFFFAOYSA-N 0 1 362.386 1.447 20 5 FDBDMN COC1CCN(C(C)(C)CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000610263116 554483680 /nfs/dbraw/zinc/48/36/80/554483680.db2.gz BZXVFWWOFDAHGJ-UHFFFAOYSA-N 0 1 372.447 1.158 20 5 FDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C(C)(C)CO)CC1 ZINC000610480960 554516693 /nfs/dbraw/zinc/51/66/93/554516693.db2.gz BVFPJWWSZCCPEL-UHFFFAOYSA-N 0 1 350.419 1.230 20 5 FDBDMN O=C(NCc1nnc[nH]1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000611223176 554616860 /nfs/dbraw/zinc/61/68/60/554616860.db2.gz BEGLVQBABXXSRG-UHFFFAOYSA-N 0 1 373.110 1.248 20 5 FDBDMN CCCc1[nH]nc(C(=O)N2CCn3c(nnc3C(F)F)C2)c1[N+](=O)[O-] ZINC000619566284 555800204 /nfs/dbraw/zinc/80/02/04/555800204.db2.gz INVLMNKOACCZBV-UHFFFAOYSA-N 0 1 355.305 1.456 20 5 FDBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000291023559 567964003 /nfs/dbraw/zinc/96/40/03/567964003.db2.gz YAKHCHSCNBBOPT-JTQLQIEISA-N 0 1 362.342 1.750 20 5 FDBDMN O=[N+]([O-])c1ccc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000738361071 599484942 /nfs/dbraw/zinc/48/49/42/599484942.db2.gz UHDRTTHBYIJKQT-UHFFFAOYSA-N 0 1 350.342 1.712 20 5 FDBDMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000827374802 601096518 /nfs/dbraw/zinc/09/65/18/601096518.db2.gz LXXVMOJRBNMRTL-JTQLQIEISA-N 0 1 355.778 1.869 20 5 FDBDMN CC(C)[N@@H+](C)CCNc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000827704584 601444815 /nfs/dbraw/zinc/44/48/15/601444815.db2.gz YVAZNJUIXXFJDO-NSHDSACASA-N 0 1 352.391 1.550 20 5 FDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000832482057 601533512 /nfs/dbraw/zinc/53/35/12/601533512.db2.gz WAWZXPXEZGLYCW-JFGNBEQYSA-N 0 1 351.359 1.583 20 5 FDBDMN NC(=O)c1ccc(C[N@@H+](C2CC2)C2CCN(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000740330498 601932721 /nfs/dbraw/zinc/93/27/21/601932721.db2.gz 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FDBDMN Cc1ncc([C@H](C)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000180943697 672185929 /nfs/dbraw/zinc/18/59/29/672185929.db2.gz VXNJLYHFEVSDMA-JTQLQIEISA-N 0 1 370.456 1.989 20 5 FDBDMN C[C@H](O)CN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000253203602 672596139 /nfs/dbraw/zinc/59/61/39/672596139.db2.gz HHCTWRDEQJQXBV-KGLIPLIRSA-N 0 1 350.419 1.310 20 5 FDBDMN C[C@H](O)CN1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000288894390 676069193 /nfs/dbraw/zinc/06/91/93/676069193.db2.gz SDWWTRSQRSDBKV-NEPJUHHUSA-N 0 1 370.837 1.845 20 5 FDBDMN COCCN1CC[C@@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000264522298 672916377 /nfs/dbraw/zinc/91/63/77/672916377.db2.gz MYPXIFPRAXWTSH-CHWSQXEVSA-N 0 1 353.444 1.912 20 5 FDBDMN COC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 ZINC000279141304 675248182 /nfs/dbraw/zinc/24/81/82/675248182.db2.gz XLLAFEUSIQATPC-KGLIPLIRSA-N 0 1 357.794 1.970 20 5 FDBDMN CCOc1cc(N2CCN(C[C@@H](O)CSC)CC2)ccc1[N+](=O)[O-] ZINC000280241938 675397355 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UKIWOUGWHFWDDB-SECBINFHSA-N 0 1 352.326 1.456 20 5 FDBDMN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CN1CCO ZINC000416290025 679576472 /nfs/dbraw/zinc/57/64/72/679576472.db2.gz GEEDVGJEQBYLFQ-RYUDHWBXSA-N 0 1 355.822 1.704 20 5 FDBDMN C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C)CN1CCO ZINC000416293316 679577991 /nfs/dbraw/zinc/57/79/91/679577991.db2.gz JOSJLTMJYQOLDG-ZIAGYGMSSA-N 0 1 350.419 1.310 20 5 FDBDMN COC(=O)[C@@H]1CN(C)CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000417061143 679742503 /nfs/dbraw/zinc/74/25/03/679742503.db2.gz FGZHCEFDAMRBSS-SNVBAGLBSA-N 0 1 354.338 1.302 20 5 FDBDMN CC(C)(C)c1nc(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000416548492 679651890 /nfs/dbraw/zinc/65/18/90/679651890.db2.gz XEMOJFGMFGODFB-UHFFFAOYSA-N 0 1 367.431 1.673 20 5 FDBDMN CCc1ccccc1[C@@H]([NH3+])C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000420464561 680465485 /nfs/dbraw/zinc/46/54/85/680465485.db2.gz PJUKTSYREFKKLQ-ZDUSSCGKSA-N 0 1 367.431 1.352 20 5 FDBDMN 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O=C(c1nccs1)N1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000967349460 1017408726 /nfs/dbraw/zinc/40/87/26/1017408726.db2.gz PAGCOGIXOMZHBP-YVECIDJPSA-N 0 1 364.427 1.119 20 5 FDBDMN C[C@@](N)(C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000192535761 178119487 /nfs/dbraw/zinc/11/94/87/178119487.db2.gz NTXYFKQXNPOPTQ-KDOFPFPSSA-N 0 1 355.398 1.877 20 5 FDBDMN C[C@](N)(C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000192535715 178119526 /nfs/dbraw/zinc/11/95/26/178119526.db2.gz NTXYFKQXNPOPTQ-KBXCAEBGSA-N 0 1 355.398 1.877 20 5 FDBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CN1CCCCC1 ZINC000193093912 178146775 /nfs/dbraw/zinc/14/67/75/178146775.db2.gz ZKIUXSPCSRTASD-GFCCVEGCSA-N 0 1 357.432 1.756 20 5 FDBDMN O=C([O-])c1ccnc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000518984864 539462015 /nfs/dbraw/zinc/46/20/15/539462015.db2.gz IGYXSOLXEFSISW-CQSZACIVSA-N 0 1 372.381 1.519 20 5 FDBDMN CC[C@@H](C)CN(C)c1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000521960481 539521748 /nfs/dbraw/zinc/52/17/48/539521748.db2.gz ZXNHMJHEMLHPQT-CYBMUJFWSA-N 0 1 372.491 1.917 20 5 FDBDMN CCc1[nH]nc(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC000264602224 179144901 /nfs/dbraw/zinc/14/49/01/179144901.db2.gz KMNHVRHLGXFKNT-UHFFFAOYSA-N 0 1 373.369 1.184 20 5 FDBDMN COCCN1CC[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000264609557 179147025 /nfs/dbraw/zinc/14/70/25/179147025.db2.gz ZBFVWVLAOXLLSV-CQSZACIVSA-N 0 1 359.386 1.231 20 5 FDBDMN CCc1[nH]nc(C(=O)N2CCC(c3nncn3C3CC3)CC2)c1[N+](=O)[O-] ZINC000265292844 179332825 /nfs/dbraw/zinc/33/28/25/179332825.db2.gz DJWZDZKBDDIFEL-UHFFFAOYSA-N 0 1 359.390 1.827 20 5 FDBDMN C[C@@H]1CN(CCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000523953792 539629331 /nfs/dbraw/zinc/62/93/31/539629331.db2.gz VTJSMZWMMAQYDU-CHWSQXEVSA-N 0 1 353.423 1.142 20 5 FDBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H](CN2CCOCC2)C1 ZINC000266239149 179557611 /nfs/dbraw/zinc/55/76/11/179557611.db2.gz PKAOZOVDYRVUFX-HNNXBMFYSA-N 0 1 372.425 1.730 20 5 FDBDMN C[C@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000525174142 539682324 /nfs/dbraw/zinc/68/23/24/539682324.db2.gz KDWLBCKNCDXTEB-CYBMUJFWSA-N 0 1 364.427 1.789 20 5 FDBDMN C[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000525174143 539682835 /nfs/dbraw/zinc/68/28/35/539682835.db2.gz KDWLBCKNCDXTEB-ZDUSSCGKSA-N 0 1 364.427 1.789 20 5 FDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268907512 180177229 /nfs/dbraw/zinc/17/72/29/180177229.db2.gz APFPNMJLSKIVQN-LLVKDONJSA-N 0 1 359.342 1.459 20 5 FDBDMN Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1[N+](=O)[O-] ZINC000269140772 180224819 /nfs/dbraw/zinc/22/48/19/180224819.db2.gz ZVWIGSBCFAQJKV-LSDHHAIUSA-N 0 1 373.413 1.239 20 5 FDBDMN CCCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000269263864 180257854 /nfs/dbraw/zinc/25/78/54/180257854.db2.gz BZZCRNMDSLWRRP-LBPRGKRZSA-N 0 1 356.400 1.730 20 5 FDBDMN CCCCNC(=O)[C@H]1CSCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269329158 180275961 /nfs/dbraw/zinc/27/59/61/180275961.db2.gz DVAROFWNWLWRNB-SNVBAGLBSA-N 0 1 369.447 1.873 20 5 FDBDMN C[C@@H]1C[N@H+](CCCCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000269291529 180266083 /nfs/dbraw/zinc/26/60/83/180266083.db2.gz PYNAMYIQYUBBBY-BETUJISGSA-N 0 1 351.403 1.920 20 5 FDBDMN CCN(CC)C(=O)N1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269383179 180290550 /nfs/dbraw/zinc/29/05/50/180290550.db2.gz PPKUXQNTUWHSBU-UHFFFAOYSA-N 0 1 366.422 1.661 20 5 FDBDMN Cc1c(NC(=O)CCN(C)C[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000533293438 540226845 /nfs/dbraw/zinc/22/68/45/540226845.db2.gz KDOLBPGSWMIKEX-CYBMUJFWSA-N 0 1 369.443 1.598 20 5 FDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(S(N)(=O)=O)ccc1O ZINC000536739539 540645822 /nfs/dbraw/zinc/64/58/22/540645822.db2.gz ZQVWRRSNJKXPHB-UHFFFAOYSA-N 0 1 351.340 1.509 20 5 FDBDMN CNC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cn1C ZINC000537650676 540756221 /nfs/dbraw/zinc/75/62/21/540756221.db2.gz ASLIZYWEPFQDIA-UHFFFAOYSA-N 0 1 352.372 1.402 20 5 FDBDMN COC[C@H](CCO)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000537656987 540757529 /nfs/dbraw/zinc/75/75/29/540757529.db2.gz MPVWGOGLUFRVFM-QMMMGPOBSA-N 0 1 373.214 1.577 20 5 FDBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000538523239 540865914 /nfs/dbraw/zinc/86/59/14/540865914.db2.gz MUUZMCCKAPYRMP-AVGNSLFASA-N 0 1 369.443 1.185 20 5 FDBDMN Cc1cc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ccc1[N+](=O)[O-] ZINC000539855793 541000932 /nfs/dbraw/zinc/00/09/32/541000932.db2.gz XKPUFALAVKMCEP-UHFFFAOYSA-N 0 1 371.396 1.351 20 5 FDBDMN C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000275466149 181325254 /nfs/dbraw/zinc/32/52/54/181325254.db2.gz IIHODUUHYOVBGU-CQSZACIVSA-N 0 1 364.446 1.624 20 5 FDBDMN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000275487169 181330940 /nfs/dbraw/zinc/33/09/40/181330940.db2.gz UXJXEJOSRXVBHC-GOEBONIOSA-N 0 1 370.369 1.855 20 5 FDBDMN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CC[C@H](C)C1 ZINC000541334542 541188666 /nfs/dbraw/zinc/18/86/66/541188666.db2.gz DQIGRWCTENUWRS-NSHDSACASA-N 0 1 371.415 1.002 20 5 FDBDMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000275673659 181383618 /nfs/dbraw/zinc/38/36/18/181383618.db2.gz ZFUBNZASFQOUJN-AWEZNQCLSA-N 0 1 364.446 1.624 20 5 FDBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(CCCN2CCOCC2)CC1 ZINC000543742915 541650423 /nfs/dbraw/zinc/65/04/23/541650423.db2.gz ZIIPTLXOQYTYAY-UHFFFAOYSA-N 0 1 362.430 1.954 20 5 FDBDMN O=C(NC1(c2nn[nH]n2)CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543823907 541667615 /nfs/dbraw/zinc/66/76/15/541667615.db2.gz VKEBMVUQHDJNGY-UHFFFAOYSA-N 0 1 368.300 1.909 20 5 FDBDMN CC(C)[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1nnc2ccccn21 ZINC000544433377 541768134 /nfs/dbraw/zinc/76/81/34/541768134.db2.gz MAPOBDQHUFFQNR-MRXNPFEDSA-N 0 1 356.386 1.786 20 5 FDBDMN Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000286187722 183009085 /nfs/dbraw/zinc/00/90/85/183009085.db2.gz KCGIFCCFWBPVPA-GOOCMWNKSA-N 0 1 374.441 1.717 20 5 FDBDMN CCN1CCN(c2ccc(C(=O)NCC(=O)OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286373883 183050771 /nfs/dbraw/zinc/05/07/71/183050771.db2.gz NYSMPYALKISBNC-GFCCVEGCSA-N 0 1 364.402 1.028 20 5 FDBDMN C[C@H](CN1CCN(C)CC1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286851884 183159337 /nfs/dbraw/zinc/15/93/37/183159337.db2.gz BNZPWFRVCQZEBB-OAHLLOKOSA-N 0 1 363.462 1.415 20 5 FDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@](F)(CO)C1 ZINC000287061051 183204555 /nfs/dbraw/zinc/20/45/55/183204555.db2.gz UMRPBDZBDZBBNY-INIZCTEOSA-N 0 1 355.366 1.728 20 5 FDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@](F)(CO)C1 ZINC000287061051 183204558 /nfs/dbraw/zinc/20/45/58/183204558.db2.gz UMRPBDZBDZBBNY-INIZCTEOSA-N 0 1 355.366 1.728 20 5 FDBDMN C[C@H](O)CN1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000287210729 183236532 /nfs/dbraw/zinc/23/65/32/183236532.db2.gz PHTWRTPKFLOPAS-KGLIPLIRSA-N 0 1 350.419 1.234 20 5 FDBDMN C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000287400731 183283265 /nfs/dbraw/zinc/28/32/65/183283265.db2.gz SVHVPHLUORCNPX-MELADBBJSA-N 0 1 350.419 1.752 20 5 FDBDMN C[C@@H](NC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000287400731 183283266 /nfs/dbraw/zinc/28/32/66/183283266.db2.gz SVHVPHLUORCNPX-MELADBBJSA-N 0 1 350.419 1.752 20 5 FDBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000287462274 183298446 /nfs/dbraw/zinc/29/84/46/183298446.db2.gz SBWPZRLCZPYBRB-RYUDHWBXSA-N 0 1 351.407 1.377 20 5 FDBDMN COC(=O)[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000546775746 542224053 /nfs/dbraw/zinc/22/40/53/542224053.db2.gz BQHZKNYFFKOCCD-ZDUSSCGKSA-N 0 1 370.408 1.990 20 5 FDBDMN C[C@@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000294882908 184016666 /nfs/dbraw/zinc/01/66/66/184016666.db2.gz FPWOHHINRHLIDU-ZDUSSCGKSA-N 0 1 370.475 1.436 20 5 FDBDMN CCCc1[nH]nc(C(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)c1[N+](=O)[O-] ZINC000294781870 184008335 /nfs/dbraw/zinc/00/83/35/184008335.db2.gz OIORMTGYJQYKTL-CQSZACIVSA-N 0 1 363.418 1.647 20 5 FDBDMN CC[C@@H](CNS(C)(=O)=O)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000295118480 184035437 /nfs/dbraw/zinc/03/54/37/184035437.db2.gz WEPQTNPEYTUMSV-NSHDSACASA-N 0 1 361.420 1.029 20 5 FDBDMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295577673 184084385 /nfs/dbraw/zinc/08/43/85/184084385.db2.gz RTUDKZACTFRYNV-LBPRGKRZSA-N 0 1 366.761 1.794 20 5 FDBDMN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000295747553 184101160 /nfs/dbraw/zinc/10/11/60/184101160.db2.gz XAJWLKNMUJGAQB-CABCVRRESA-N 0 1 374.353 1.123 20 5 FDBDMN COCCN1CCCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000295917784 184113850 /nfs/dbraw/zinc/11/38/50/184113850.db2.gz RQWBPBVNDXRJFH-UHFFFAOYSA-N 0 1 368.409 1.594 20 5 FDBDMN COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000296140218 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O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1COCC[NH2+]1 ZINC000599107691 552968590 /nfs/dbraw/zinc/96/85/90/552968590.db2.gz RHCZYXRRNWCOAM-MRVPVSSYSA-N 0 1 370.214 1.168 20 5 FDBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C)(N3CCOCC3)CC2)n1 ZINC000599161013 552976810 /nfs/dbraw/zinc/97/68/10/552976810.db2.gz TYDUCRCSPRKWKE-UHFFFAOYSA-N 0 1 364.402 1.468 20 5 FDBDMN CN(C)[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000599205267 552985019 /nfs/dbraw/zinc/98/50/19/552985019.db2.gz VZHUNFUHPSYJAI-GFCCVEGCSA-N 0 1 371.394 1.049 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(C(=O)OC(C)(C)C)CCCC2)n1 ZINC000599233951 552996162 /nfs/dbraw/zinc/99/61/62/552996162.db2.gz BREWWCUBYAQOCL-UHFFFAOYSA-N 0 1 374.419 1.261 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](Cc2ccccc2)C2CC2)n1 ZINC000599237302 552997458 /nfs/dbraw/zinc/99/74/58/552997458.db2.gz JINJKDOYDWWDQW-ZDUSSCGKSA-N 0 1 350.400 1.628 20 5 FDBDMN Cc1cccc(O[C@H](C)CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000599250057 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FDBDMN Cn1cc(CN2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000610944585 554585410 /nfs/dbraw/zinc/58/54/10/554585410.db2.gz HXTKNJDIKUMBBY-UHFFFAOYSA-N 0 1 359.430 1.915 20 5 FDBDMN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000610970303 554589454 /nfs/dbraw/zinc/58/94/54/554589454.db2.gz IZYXCLAYNODUIS-UHFFFAOYSA-N 0 1 361.745 1.603 20 5 FDBDMN CCN1CCN(c2ccc(C(=O)NCC(=O)OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084396 554603311 /nfs/dbraw/zinc/60/33/11/554603311.db2.gz PFBWFRTXHHCCRN-GFCCVEGCSA-N 0 1 364.402 1.028 20 5 FDBDMN CCN1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000611091830 554604360 /nfs/dbraw/zinc/60/43/60/554604360.db2.gz VTZAFHPSYBTXRL-STQMWFEESA-N 0 1 350.419 1.956 20 5 FDBDMN CCOc1ccc([C@H](C)NCC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000611248217 554619373 /nfs/dbraw/zinc/61/93/73/554619373.db2.gz NGCKAKHQAVWWNC-ZDUSSCGKSA-N 0 1 350.419 1.418 20 5 FDBDMN COc1cc(CN2CCN(C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])cc1OC ZINC000611252834 554619582 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C[N@H+](CC1CC1)C[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821596765 606715636 /nfs/dbraw/zinc/71/56/36/606715636.db2.gz UODGSWVUGCLDRN-GFCCVEGCSA-N 0 1 358.406 1.338 20 5 FDBDMN C[N@@H+](CC1CC1)C[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821596765 606715637 /nfs/dbraw/zinc/71/56/37/606715637.db2.gz UODGSWVUGCLDRN-GFCCVEGCSA-N 0 1 358.406 1.338 20 5 FDBDMN CCO[C@@H]1C[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000273600861 674552816 /nfs/dbraw/zinc/55/28/16/674552816.db2.gz LUERBMNOWDLBQL-GUTXKFCHSA-N 0 1 374.390 1.739 20 5 FDBDMN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC[N@@H+]1C[C@@H](C)O ZINC000825211317 607841071 /nfs/dbraw/zinc/84/10/71/607841071.db2.gz MCKJZTFDXXSCPS-VXGBXAGGSA-N 0 1 361.406 1.056 20 5 FDBDMN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC[N@H+]1C[C@@H](C)O ZINC000825211317 607841072 /nfs/dbraw/zinc/84/10/72/607841072.db2.gz MCKJZTFDXXSCPS-VXGBXAGGSA-N 0 1 361.406 1.056 20 5 FDBDMN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC[N@@H+]1C[C@@H](C)O ZINC000825211317 607841073 /nfs/dbraw/zinc/84/10/73/607841073.db2.gz MCKJZTFDXXSCPS-VXGBXAGGSA-N 0 1 361.406 1.056 20 5 FDBDMN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC[N@H+]1C[C@@H](C)O ZINC000825211317 607841074 /nfs/dbraw/zinc/84/10/74/607841074.db2.gz MCKJZTFDXXSCPS-VXGBXAGGSA-N 0 1 361.406 1.056 20 5 FDBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825950429 608061357 /nfs/dbraw/zinc/06/13/57/608061357.db2.gz ODKJWWATGQJVMF-UHFFFAOYSA-N 0 1 355.358 1.069 20 5 FDBDMN C[NH+](C)CCCC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000825859360 608305211 /nfs/dbraw/zinc/30/52/11/608305211.db2.gz FLIMLUFGWAQAMD-UHFFFAOYSA-N 0 1 360.422 1.728 20 5 FDBDMN C[NH+](C)CCCC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000825859360 608305212 /nfs/dbraw/zinc/30/52/12/608305212.db2.gz FLIMLUFGWAQAMD-UHFFFAOYSA-N 0 1 360.422 1.728 20 5 FDBDMN CS[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000277942915 675067299 /nfs/dbraw/zinc/06/72/99/675067299.db2.gz BYTMMWHMKCUEHS-CHWSQXEVSA-N 0 1 352.416 1.347 20 5 FDBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC000278492577 675144450 /nfs/dbraw/zinc/14/44/50/675144450.db2.gz VYDHOZLHTWVWOD-ZYHUDNBSSA-N 0 1 350.375 1.481 20 5 FDBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000134065502 671825610 /nfs/dbraw/zinc/82/56/10/671825610.db2.gz QDLQMDVSRHDRQT-UHFFFAOYSA-N 0 1 372.790 1.795 20 5 FDBDMN C[C@@H](CN(C)C)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000168703874 672038669 /nfs/dbraw/zinc/03/86/69/672038669.db2.gz GULIFHYUXRHCKP-QMMMGPOBSA-N 0 1 366.237 1.586 20 5 FDBDMN O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2NCCc3ccccc32)cc1 ZINC000262252923 672755291 /nfs/dbraw/zinc/75/52/91/672755291.db2.gz QFOGLNNNRIWJPC-QGZVFWFLSA-N 0 1 361.423 1.901 20 5 FDBDMN CCOCc1nc([C@@H](C)NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])no1 ZINC000289475790 676141962 /nfs/dbraw/zinc/14/19/62/676141962.db2.gz HULWGWWTPGLHCH-SNVBAGLBSA-N 0 1 370.387 1.862 20 5 FDBDMN CCCc1n[nH]c(C(=O)N(C)CCN2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000279263099 675265772 /nfs/dbraw/zinc/26/57/72/675265772.db2.gz IONXUTQJYVLXTH-UHFFFAOYSA-N 0 1 353.423 1.453 20 5 FDBDMN CN1CCN(CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000279558880 675313034 /nfs/dbraw/zinc/31/30/34/675313034.db2.gz KBATUBHVZMBIRD-UHFFFAOYSA-N 0 1 358.801 1.293 20 5 FDBDMN CN(C)CCCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000279666529 675329100 /nfs/dbraw/zinc/32/91/00/675329100.db2.gz DAMFAKUBFUFZTA-HNNXBMFYSA-N 0 1 369.443 1.176 20 5 FDBDMN C[C@@H](CN(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1nn[nH]n1 ZINC000279817578 675351115 /nfs/dbraw/zinc/35/11/15/675351115.db2.gz QIPFLGWEMKJFIH-ZETCQYMHSA-N 0 1 356.745 1.705 20 5 FDBDMN Cc1cc([C@H]2CCCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C2)[nH]n1 ZINC000282167838 675608425 /nfs/dbraw/zinc/60/84/25/675608425.db2.gz DTMVQGZOJRQIBY-NSHDSACASA-N 0 1 365.415 1.658 20 5 FDBDMN CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000298307323 676450622 /nfs/dbraw/zinc/45/06/22/676450622.db2.gz QPORXHSNHGOIKQ-SNVBAGLBSA-N 0 1 352.372 1.120 20 5 FDBDMN COC(=O)c1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000327923529 676596373 /nfs/dbraw/zinc/59/63/73/676596373.db2.gz LYJRZIYXTNYJNT-UHFFFAOYSA-N 0 1 368.342 1.999 20 5 FDBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000367582671 677493835 /nfs/dbraw/zinc/49/38/35/677493835.db2.gz NSLMFGCTVGUQRT-DZGCQCFKSA-N 0 1 353.444 1.872 20 5 FDBDMN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H](c3nc[nH]n3)C2)cc1 ZINC000372580499 677941517 /nfs/dbraw/zinc/94/15/17/677941517.db2.gz BLUHFNSEIITTRN-LBPRGKRZSA-N 0 1 351.388 1.422 20 5 FDBDMN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2nncn2-c2cccnc2)c1 ZINC000377559258 678561165 /nfs/dbraw/zinc/56/11/65/678561165.db2.gz BIILJCWRUTYTII-UHFFFAOYSA-N 0 1 360.355 1.512 20 5 FDBDMN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)CCOCC2CC2)c1 ZINC000424068728 680828599 /nfs/dbraw/zinc/82/85/99/680828599.db2.gz SSYSLVUUQNCLSV-UHFFFAOYSA-N 0 1 359.404 1.167 20 5 FDBDMN COC(=O)c1cc(NC(=O)N2CCNC(C)(C)C2)c(C)c([N+](=O)[O-])c1 ZINC000415593936 679460401 /nfs/dbraw/zinc/46/04/01/679460401.db2.gz FSIOQOVJTYNUHT-UHFFFAOYSA-N 0 1 350.375 1.906 20 5 FDBDMN C[C@H](NC(=O)N1C[C@H](C)N(CCO)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419480592 680266538 /nfs/dbraw/zinc/26/65/38/680266538.db2.gz AAADWMZVTIWXPK-MJBXVCDLSA-N 0 1 350.419 1.752 20 5 FDBDMN CCC[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CCN1CCOC ZINC000420616661 680494152 /nfs/dbraw/zinc/49/41/52/680494152.db2.gz SODKRQZNOILGGI-ZDUSSCGKSA-N 0 1 350.419 1.631 20 5 FDBDMN CCc1[nH]nc(C(=O)N(CCOC)Cc2scnc2C)c1[N+](=O)[O-] ZINC000428026234 680992435 /nfs/dbraw/zinc/99/24/35/680992435.db2.gz YTOWPLUADHJYDC-UHFFFAOYSA-N 0 1 353.404 1.934 20 5 FDBDMN COc1cccc(CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000441546011 682086645 /nfs/dbraw/zinc/08/66/45/682086645.db2.gz MHGIBTCKTACLGA-UHFFFAOYSA-N 0 1 355.347 1.659 20 5 FDBDMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000444388866 682407596 /nfs/dbraw/zinc/40/75/96/682407596.db2.gz MENXVAFNRFZBSO-LBPRGKRZSA-N 0 1 353.394 1.580 20 5 FDBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@](O)(C(F)F)C1 ZINC000451440928 682880759 /nfs/dbraw/zinc/88/07/59/682880759.db2.gz XQSDQSBIHMBZAZ-HNNXBMFYSA-N 0 1 357.313 1.595 20 5 FDBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)CCCOC ZINC000462495709 684644441 /nfs/dbraw/zinc/64/44/41/684644441.db2.gz MTNUGWJQHIPEJJ-UHFFFAOYSA-N 0 1 359.448 1.404 20 5 FDBDMN COC(=O)C[C@@H]1CSCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000471189753 685114635 /nfs/dbraw/zinc/11/46/35/685114635.db2.gz CHSHUGWNXIUXPH-ZIAGYGMSSA-N 0 1 370.427 1.315 20 5 FDBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccnc3ncnn32)cc1[N+](=O)[O-] ZINC000479122496 685996986 /nfs/dbraw/zinc/99/69/86/685996986.db2.gz VTKYPGTVVBTWNZ-UHFFFAOYSA-N 0 1 368.762 1.795 20 5 FDBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]nnc2C1 ZINC000485475271 686728380 /nfs/dbraw/zinc/72/83/80/686728380.db2.gz XINADXQQSRSMSZ-UHFFFAOYSA-N 0 1 363.399 1.650 20 5 FDBDMN CCN(C)CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488766642 687057432 /nfs/dbraw/zinc/05/74/32/687057432.db2.gz VMHIAFPQFUIWLD-UHFFFAOYSA-N 0 1 366.237 1.587 20 5 FDBDMN CC(C)CN1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000497746898 687706888 /nfs/dbraw/zinc/70/68/88/687706888.db2.gz YVPZSPRZYHEQTL-CYBMUJFWSA-N 0 1 372.447 1.011 20 5 FDBDMN CCN1CCN(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000498149759 687753944 /nfs/dbraw/zinc/75/39/44/687753944.db2.gz QIIWICQRYATWIS-KRWDZBQOSA-N 0 1 364.471 1.806 20 5 FDBDMN CCCN(CCN1CCCC1)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000511348617 689512564 /nfs/dbraw/zinc/51/25/64/689512564.db2.gz XRSWRKGXFKDGOM-UHFFFAOYSA-N 0 1 359.452 1.308 20 5 FDBDMN CCNC(=O)c1ccc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000525600965 694630127 /nfs/dbraw/zinc/63/01/27/694630127.db2.gz CGQRZOKNHLYFIT-UHFFFAOYSA-N 0 1 364.383 1.218 20 5 FDBDMN COc1nc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164725559 720328497 /nfs/dbraw/zinc/32/84/97/720328497.db2.gz NPVQCVHJEAOLBZ-KGLIPLIRSA-N 0 1 356.386 1.642 20 5 FDBDMN Cc1cnc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164774277 721077404 /nfs/dbraw/zinc/07/74/04/721077404.db2.gz ZPYYXLMTMJDACK-CVEARBPZSA-N 0 1 356.430 1.990 20 5 FDBDMN O=C(c1ccc(F)c(F)c1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000969210926 769416447 /nfs/dbraw/zinc/41/64/47/769416447.db2.gz BVBBXFATMXSVFH-NWJSVONSSA-N 0 1 365.336 1.445 20 5 FDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CCCC1 ZINC000969694236 770676129 /nfs/dbraw/zinc/67/61/29/770676129.db2.gz BZTAGKKFFZQPQM-YVECIDJPSA-N 0 1 371.384 1.679 20 5 FDBDMN O=C(c1c(F)cccc1F)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000969966126 771141301 /nfs/dbraw/zinc/14/13/01/771141301.db2.gz IEQVVIVVEFNMMM-FBKDDSFISA-N 0 1 365.336 1.445 20 5 FDBDMN 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ZINC000594785215 552383749 /nfs/dbraw/zinc/38/37/49/552383749.db2.gz KOZDCRUTFLWWNE-LBPRGKRZSA-N 0 1 364.427 1.858 20 5 FDBDMN CC(C)(C)N1CC[C@@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000594790112 552385674 /nfs/dbraw/zinc/38/56/74/552385674.db2.gz RWLDXLPVLLUQCP-OAHLLOKOSA-N 0 1 355.460 1.930 20 5 FDBDMN CC(C)[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000594796051 552387942 /nfs/dbraw/zinc/38/79/42/552387942.db2.gz RJYODCPANVLENG-CYBMUJFWSA-N 0 1 355.416 1.621 20 5 FDBDMN CN(C)C[C@@H]1CCCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000595346412 552532760 /nfs/dbraw/zinc/53/27/60/552532760.db2.gz VNPQHZRVSLBVNE-HNNXBMFYSA-N 0 1 355.460 1.883 20 5 FDBDMN CCOC(=O)CC1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOCC1 ZINC000595874737 552627106 /nfs/dbraw/zinc/62/71/06/552627106.db2.gz UZIZRUGXYQBFII-UHFFFAOYSA-N 0 1 365.386 1.286 20 5 FDBDMN COC(=O)c1c(Cl)c(NCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000596063324 552651413 /nfs/dbraw/zinc/65/14/13/552651413.db2.gz PCKKNZUXVADRBU-UHFFFAOYSA-N 0 1 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COCc1nc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n[nH]1 ZINC000596747296 552706372 /nfs/dbraw/zinc/70/63/72/552706372.db2.gz FKGDUQOCJXZFNM-UHFFFAOYSA-N 0 1 360.374 1.734 20 5 FDBDMN COCc1nnc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH]1 ZINC000596747296 552706373 /nfs/dbraw/zinc/70/63/73/552706373.db2.gz FKGDUQOCJXZFNM-UHFFFAOYSA-N 0 1 360.374 1.734 20 5 FDBDMN Nc1c(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597093887 552746066 /nfs/dbraw/zinc/74/60/66/552746066.db2.gz ZJUWOZYVDHURKD-LLVKDONJSA-N 0 1 371.825 1.799 20 5 FDBDMN CC(C)(C(=O)N1CCC[C@@H](N2CCOCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000597620623 552812907 /nfs/dbraw/zinc/81/29/07/552812907.db2.gz SKFQXKHTPYRRJC-CQSZACIVSA-N 0 1 365.434 1.240 20 5 FDBDMN COc1cc(C(=O)N2CCC[C@H](N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000597621626 552813028 /nfs/dbraw/zinc/81/30/28/552813028.db2.gz YTBMZCWEDRWKRG-HNNXBMFYSA-N 0 1 363.414 1.930 20 5 FDBDMN O=C(NC[C@@H]1CN2CCN1CCC2)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000597624099 552813788 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351.359 1.010 20 5 FDBDMN CC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000829142552 600901331 /nfs/dbraw/zinc/90/13/31/600901331.db2.gz VJFGYKIFULTXFI-BXUZGUMPSA-N 0 1 365.386 1.210 20 5 FDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000832905898 601011549 /nfs/dbraw/zinc/01/15/49/601011549.db2.gz YECOZYCCPZIKGM-AWEZNQCLSA-N 0 1 365.386 1.797 20 5 FDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000832905898 601011550 /nfs/dbraw/zinc/01/15/50/601011550.db2.gz YECOZYCCPZIKGM-AWEZNQCLSA-N 0 1 365.386 1.797 20 5 FDBDMN CC[N@H+]1CCC[C@H]1CN(C)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000829764898 601201558 /nfs/dbraw/zinc/20/15/58/601201558.db2.gz BANPJMMHDMSTDS-ZDUSSCGKSA-N 0 1 364.402 1.330 20 5 FDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C(=O)[O-])C[C@@H]1C ZINC000740098977 602741643 /nfs/dbraw/zinc/74/16/43/602741643.db2.gz MOBULHHZMXUUNQ-LBPRGKRZSA-N 0 1 350.375 1.916 20 5 FDBDMN C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739180235 602781514 /nfs/dbraw/zinc/78/15/14/602781514.db2.gz OCONRPUGHJSLRB-KYOSRNDESA-N 0 1 353.375 1.313 20 5 FDBDMN O=C([O-])N1CC[NH+](CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000740433678 603194717 /nfs/dbraw/zinc/19/47/17/603194717.db2.gz PZAIMIFUCBSWAS-UHFFFAOYSA-N 0 1 370.793 1.664 20 5 FDBDMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000831997172 603552798 /nfs/dbraw/zinc/55/27/98/603552798.db2.gz MOGRNBDGQPVAKV-QLFBSQMISA-N 0 1 367.406 1.149 20 5 FDBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000825637130 604036052 /nfs/dbraw/zinc/03/60/52/604036052.db2.gz ALPGWNGQKXYIKB-STQMWFEESA-N 0 1 364.402 1.752 20 5 FDBDMN C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCC(=O)[O-] ZINC000833626839 605277260 /nfs/dbraw/zinc/27/72/60/605277260.db2.gz ZYJRBYVCYPYJHT-SNVBAGLBSA-N 0 1 361.358 1.092 20 5 FDBDMN 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C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000820562608 606701459 /nfs/dbraw/zinc/70/14/59/606701459.db2.gz HUGPFBFFVXOJJQ-JTQLQIEISA-N 0 1 371.405 1.706 20 5 FDBDMN CC1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000820595823 606732380 /nfs/dbraw/zinc/73/23/80/606732380.db2.gz KFZWOZRTXNOYHT-UHFFFAOYSA-N 0 1 366.403 1.586 20 5 FDBDMN CC[C@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000825212231 607841197 /nfs/dbraw/zinc/84/11/97/607841197.db2.gz QNMURMZIRIOFDV-RYUDHWBXSA-N 0 1 361.406 1.056 20 5 FDBDMN CC[C@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000825212231 607841198 /nfs/dbraw/zinc/84/11/98/607841198.db2.gz QNMURMZIRIOFDV-RYUDHWBXSA-N 0 1 361.406 1.056 20 5 FDBDMN O=[N+]([O-])c1cnn(CCN2CCC(Oc3cncc(Cl)n3)CC2)c1 ZINC000275028426 674601761 /nfs/dbraw/zinc/60/17/61/674601761.db2.gz BFQBIUCFIFMCGZ-UHFFFAOYSA-N 0 1 352.782 1.778 20 5 FDBDMN COC(=O)Nc1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000275133279 674607747 /nfs/dbraw/zinc/60/77/47/674607747.db2.gz IUTXBJICHPTRSH-UHFFFAOYSA-N 0 1 372.403 1.146 20 5 FDBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000275880687 674657065 /nfs/dbraw/zinc/65/70/65/674657065.db2.gz LUPLYEZCQWHUFS-LBPRGKRZSA-N 0 1 357.432 1.755 20 5 FDBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000276618987 674741217 /nfs/dbraw/zinc/74/12/17/674741217.db2.gz QOCZQFGZKFVRLU-LBPRGKRZSA-N 0 1 354.838 1.922 20 5 FDBDMN Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000277102894 674857724 /nfs/dbraw/zinc/85/77/24/674857724.db2.gz UAEHRYUSVMPSMZ-UKRRQHHQSA-N 0 1 353.444 1.926 20 5 FDBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000277455168 674946629 /nfs/dbraw/zinc/94/66/29/674946629.db2.gz IJNPUSYZEAPNGR-WRWORJQWSA-N 0 1 350.297 1.656 20 5 FDBDMN CNC(=O)Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000120157019 671685168 /nfs/dbraw/zinc/68/51/68/671685168.db2.gz 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ZINC000371918373 677807217 /nfs/dbraw/zinc/80/72/17/677807217.db2.gz LUZGWWZWRYDGQC-UHFFFAOYSA-N 0 1 355.351 1.420 20 5 FDBDMN CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000373140861 678036198 /nfs/dbraw/zinc/03/61/98/678036198.db2.gz SUCXCYQFOPVGCM-STQMWFEESA-N 0 1 353.419 1.901 20 5 FDBDMN O=c1[nH]c(N2CCN([C@H]3CCSC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000376455391 678309328 /nfs/dbraw/zinc/30/93/28/678309328.db2.gz PXZHJZIEHXDENN-LBPRGKRZSA-N 0 1 361.427 1.871 20 5 FDBDMN COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000416408625 679610380 /nfs/dbraw/zinc/61/03/80/679610380.db2.gz RAULOVPTESUJSR-QWRGUYRKSA-N 0 1 371.415 1.142 20 5 FDBDMN Cc1cc(S(=O)(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416427525 679616986 /nfs/dbraw/zinc/61/69/86/679616986.db2.gz PVYFGFBRGUWLQM-GXTWGEPZSA-N 0 1 353.444 1.973 20 5 FDBDMN CO[C@@H](CC(C)C)CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420976995 680582816 /nfs/dbraw/zinc/58/28/16/680582816.db2.gz 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CCc1nc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n[nH]1 ZINC000452181094 683039939 /nfs/dbraw/zinc/03/99/39/683039939.db2.gz IUWPNWMPRKZNCT-UHFFFAOYSA-N 0 1 354.164 1.968 20 5 FDBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000452388816 683067041 /nfs/dbraw/zinc/06/70/41/683067041.db2.gz KRSCFRDFGQMYCE-GFCCVEGCSA-N 0 1 353.444 1.893 20 5 FDBDMN CCOC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000467327204 684855666 /nfs/dbraw/zinc/85/56/66/684855666.db2.gz FNSBQHSSKSUYTF-UHFFFAOYSA-N 0 1 353.356 1.911 20 5 FDBDMN COc1cc(S(=O)(=O)Nc2cc(C(N)=O)ccc2C)ccc1[N+](=O)[O-] ZINC000469038410 684944419 /nfs/dbraw/zinc/94/44/19/684944419.db2.gz SRDNKZVUOHURCU-UHFFFAOYSA-N 0 1 365.367 1.812 20 5 FDBDMN CCOC(=O)c1csc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000476146416 685682876 /nfs/dbraw/zinc/68/28/76/685682876.db2.gz LRFPGTBUJUODOB-UHFFFAOYSA-N 0 1 351.340 1.864 20 5 FDBDMN CN(C)[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCSC1 ZINC000481342822 686323222 /nfs/dbraw/zinc/32/32/22/686323222.db2.gz QWTLOIACYCLWNY-LLVKDONJSA-N 0 1 351.475 1.372 20 5 FDBDMN C[C@H]1CCN(C)CCN1C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000498735502 687845878 /nfs/dbraw/zinc/84/58/78/687845878.db2.gz DICRIPVZKHMPEJ-NSHDSACASA-N 0 1 366.443 1.338 20 5 FDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000506490192 688572145 /nfs/dbraw/zinc/57/21/45/688572145.db2.gz XNTTYHVNESBGKZ-UHFFFAOYSA-N 0 1 365.283 1.959 20 5 FDBDMN CCCN1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000511026904 689452021 /nfs/dbraw/zinc/45/20/21/689452021.db2.gz GKRYAUNZDAUMLI-LBPRGKRZSA-N 0 1 357.432 1.756 20 5 FDBDMN CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)c([N+](=O)[O-])n1 ZINC000511142874 689475633 /nfs/dbraw/zinc/47/56/33/689475633.db2.gz BGPIICOIDVVKPQ-JTQLQIEISA-N 0 1 369.407 1.154 20 5 FDBDMN CCN(CC)C[C@H](C)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513495216 689681815 /nfs/dbraw/zinc/68/18/15/689681815.db2.gz MZOADCGHWZSWRO-NSHDSACASA-N 0 1 357.432 1.458 20 5 FDBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@](C)(O)CN1CCOCC1 ZINC000525697592 694634486 /nfs/dbraw/zinc/63/44/86/694634486.db2.gz ICYDAAPYUZHUAE-QGZVFWFLSA-N 0 1 353.419 1.166 20 5 FDBDMN CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000532297273 694870789 /nfs/dbraw/zinc/87/07/89/694870789.db2.gz GVEUHKKLORNWSZ-JTQLQIEISA-N 0 1 366.403 1.518 20 5 FDBDMN CN1CCO[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC001164666993 719469268 /nfs/dbraw/zinc/46/92/68/719469268.db2.gz HXPLFBGFCBXUJV-HOTGVXAUSA-N 0 1 359.361 1.710 20 5 FDBDMN Cc1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164739575 720614354 /nfs/dbraw/zinc/61/43/54/720614354.db2.gz GDDAXONOWGJLPH-KBPBESRZSA-N 0 1 356.386 1.430 20 5 FDBDMN COc1nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164742480 720649310 /nfs/dbraw/zinc/64/93/10/720649310.db2.gz NRFIVGUHVQPQRM-QWHCGFSZSA-N 0 1 372.385 1.130 20 5 FDBDMN Cn1cc(CN2CC[C@H]3CN(c4ncc([N+](=O)[O-])cc4F)C[C@@H]3C2)cn1 ZINC001164773918 721109136 /nfs/dbraw/zinc/10/91/36/721109136.db2.gz ZDTQFBFAFXFVTJ-KBPBESRZSA-N 0 1 360.393 1.821 20 5 FDBDMN COc1cc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164766384 721113737 /nfs/dbraw/zinc/11/37/37/721113737.db2.gz KXSBQWQHNICPNF-CABCVRRESA-N 0 1 372.429 1.690 20 5 FDBDMN CN(C)C(=O)CN1CCC2(CCCN2c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001165010557 721739858 /nfs/dbraw/zinc/73/98/58/721739858.db2.gz ONGJQCMSEWOUCI-UHFFFAOYSA-N 0 1 362.434 1.095 20 5 FDBDMN COCCCNC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000934048790 780647758 /nfs/dbraw/zinc/64/77/58/780647758.db2.gz WYQQLKZNAMHYMX-UHFFFAOYSA-N 0 1 351.407 1.505 20 5 FDBDMN COC(=O)C1(c2ccccc2)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000472450829 785520571 /nfs/dbraw/zinc/52/05/71/785520571.db2.gz MOLZLLCMHYVAMV-UHFFFAOYSA-N 0 1 358.398 1.998 20 5 FDBDMN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1sccc1C1CC1 ZINC000978800410 805775881 /nfs/dbraw/zinc/77/58/81/805775881.db2.gz QUBDVVUHWAWBMX-QEGRKFQGSA-N 0 1 363.439 1.915 20 5 FDBDMN CC(C)c1oncc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978797114 805789013 /nfs/dbraw/zinc/78/90/13/805789013.db2.gz XOSPTKXMYAFRQD-LSCVPOLPSA-N 0 1 350.375 1.088 20 5 FDBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cccc(C2CCC2)c1 ZINC000973252989 788376810 /nfs/dbraw/zinc/37/68/10/788376810.db2.gz PPPKAOXJLWJDTO-QBPKDAKJSA-N 0 1 357.410 1.996 20 5 FDBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cccc(-c2ccoc2)c1 ZINC000973253998 788376948 /nfs/dbraw/zinc/37/69/48/788376948.db2.gz FFHUQMYCHLBJBP-QBPKDAKJSA-N 0 1 369.377 1.989 20 5 FDBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc(C(F)F)c(F)c1 ZINC000973255566 788382187 /nfs/dbraw/zinc/38/21/87/788382187.db2.gz GZFVXFAKZWPOPD-RUSTZOOPSA-N 0 1 371.315 1.806 20 5 FDBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1c[nH]cc1-c1ccccc1 ZINC000973255711 788383277 /nfs/dbraw/zinc/38/32/77/788383277.db2.gz JCXZGFAABOHPCU-VMUDFCTBSA-N 0 1 368.393 1.724 20 5 FDBDMN O=C(Cc1ccc(C(F)F)cc1)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973256027 788394657 /nfs/dbraw/zinc/39/46/57/788394657.db2.gz MZRJMCZRHNJPOT-AAVRWANBSA-N 0 1 367.352 1.595 20 5 FDBDMN COc1cccc(Cl)c1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973256338 788394976 /nfs/dbraw/zinc/39/49/76/788394976.db2.gz QLHFCEBBEUPYOI-DNRKLUKYSA-N 0 1 367.789 1.391 20 5 FDBDMN Cc1cc(Cl)ccc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973257166 788396784 /nfs/dbraw/zinc/39/67/84/788396784.db2.gz JDLDAWRWSBJLDS-HBJVGIJOSA-N 0 1 351.790 1.691 20 5 FDBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccnn1C1CCCC1 ZINC000973257963 788398999 /nfs/dbraw/zinc/39/89/99/788398999.db2.gz PAMGKYNIZUZQIY-NLRBGTRBSA-N 0 1 361.402 1.040 20 5 FDBDMN Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c2ccccc2n1 ZINC000973258582 788400424 /nfs/dbraw/zinc/40/04/24/788400424.db2.gz XGZFFELOSFXTJG-GADXADSLSA-N 0 1 368.393 1.585 20 5 FDBDMN O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cccc2cccnc21 ZINC000979003799 805973380 /nfs/dbraw/zinc/97/33/80/805973380.db2.gz VZBHZIQHZNAIKT-WXYCVUISSA-N 0 1 368.393 1.525 20 5 FDBDMN O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cncc(Cl)c1 ZINC000979037554 806001960 /nfs/dbraw/zinc/00/19/60/806001960.db2.gz MYJCDBYJTULFDV-GHORINQJSA-N 0 1 352.778 1.025 20 5 FDBDMN CC(C)Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000979046789 806013779 /nfs/dbraw/zinc/01/37/79/806013779.db2.gz MIUZNNMUPJRGSF-HLPPOEQASA-N 0 1 362.430 1.503 20 5 FDBDMN O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ncccc1Cl ZINC000979086511 806042651 /nfs/dbraw/zinc/04/26/51/806042651.db2.gz OODZYCNZYKEVSV-DTHBNOIPSA-N 0 1 352.778 1.025 20 5 FDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000377220248 791299126 /nfs/dbraw/zinc/29/91/26/791299126.db2.gz DZUJPWHDOWZXPY-TZMCWYRMSA-N 0 1 362.386 1.142 20 5 FDBDMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775593 792010741 /nfs/dbraw/zinc/01/07/41/792010741.db2.gz GUZMFNLGGOYVDF-ZNLHFFCSSA-N 0 1 353.781 1.691 20 5 FDBDMN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000412146832 792318408 /nfs/dbraw/zinc/31/84/08/792318408.db2.gz PZKFHGVFRFEXBT-JCGIZDLHSA-N 0 1 359.426 1.879 20 5 FDBDMN O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000365632009 792380103 /nfs/dbraw/zinc/38/01/03/792380103.db2.gz YZTKDIFRMQPEFE-UHFFFAOYSA-N 0 1 364.402 1.270 20 5 FDBDMN O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1csc(Cl)n1 ZINC000979307776 806208400 /nfs/dbraw/zinc/20/84/00/806208400.db2.gz XCASGNDKZZHGNA-IBCQBUCCSA-N 0 1 358.807 1.086 20 5 FDBDMN COC(=O)c1cc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc(C)c1[N+](=O)[O-] ZINC000378157912 793607264 /nfs/dbraw/zinc/60/72/64/793607264.db2.gz KDPWRHQWLOINFA-CVEARBPZSA-N 0 1 363.414 1.725 20 5 FDBDMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000378171089 793624327 /nfs/dbraw/zinc/62/43/27/793624327.db2.gz PIPVICKJZYFXJB-MCIONIFRSA-N 0 1 364.402 1.413 20 5 FDBDMN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000378197573 793703767 /nfs/dbraw/zinc/70/37/67/793703767.db2.gz AJLJKNINCSQWPP-PWSUYJOCSA-N 0 1 357.370 1.110 20 5 FDBDMN O=C(NC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)c1ccc[nH]1 ZINC000378250726 793795325 /nfs/dbraw/zinc/79/53/25/793795325.db2.gz PABTWARXLGPXNM-KRWDZBQOSA-N 0 1 358.398 1.851 20 5 FDBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)c1 ZINC000416294261 793982551 /nfs/dbraw/zinc/98/25/51/793982551.db2.gz KQWHGAXWACRVPN-CABCVRRESA-N 0 1 365.430 1.586 20 5 FDBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc2ccncc2c1 ZINC000974110063 794414892 /nfs/dbraw/zinc/41/48/92/794414892.db2.gz PSWKSLYYEMPPQG-QKPAOTATSA-N 0 1 354.366 1.277 20 5 FDBDMN Cc1csc(Cl)c1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974114406 794431894 /nfs/dbraw/zinc/43/18/94/794431894.db2.gz GRHSZSFEFMGVJM-UTINFBMNSA-N 0 1 357.819 1.752 20 5 FDBDMN Cn1cc([C@H]2[C@H](CNC(=O)c3cccc([N+](=O)[O-])c3[O-])CCC[N@H+]2C)cn1 ZINC000363917080 794563979 /nfs/dbraw/zinc/56/39/79/794563979.db2.gz GJDIIRYVOWNGGT-BLLLJJGKSA-N 0 1 373.413 1.847 20 5 FDBDMN O=C(Cc1cccc(C2CC2)c1)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979754270 806442443 /nfs/dbraw/zinc/44/24/43/806442443.db2.gz VTOWPVYYUWVBOI-BNEJOLLZSA-N 0 1 371.437 1.783 20 5 FDBDMN O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C(C1CCC1)C1CCC1 ZINC000979757240 806444935 /nfs/dbraw/zinc/44/49/35/806444935.db2.gz QURCVKGOXSAEOP-RAEVTNRLSA-N 0 1 363.458 1.879 20 5 FDBDMN Cc1oc(C(C)C)nc1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979757968 806445238 /nfs/dbraw/zinc/44/52/38/806445238.db2.gz MGSCZVACRMLCMM-FDYHWXHSSA-N 0 1 364.402 1.396 20 5 FDBDMN O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1sccc1Cl ZINC000979918250 806605698 /nfs/dbraw/zinc/60/56/98/806605698.db2.gz RZAHXKQMNIYHLC-TURQNECASA-N 0 1 357.819 1.691 20 5 FDBDMN Cc1cccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1Cl ZINC000980261089 806910561 /nfs/dbraw/zinc/91/05/61/806910561.db2.gz UCXJRGSZDVPIQM-HBJVGIJOSA-N 0 1 365.817 1.938 20 5 FDBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3nccc4ccccc43)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976484443 803419523 /nfs/dbraw/zinc/41/95/23/803419523.db2.gz QKENCBVOCDQYAN-LJIZCISZSA-N 0 1 366.377 1.087 20 5 FDBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3cccc4ccncc43)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976485141 803420985 /nfs/dbraw/zinc/42/09/85/803420985.db2.gz VUXMUSMPTVYIMU-CMZRPVNOSA-N 0 1 366.377 1.087 20 5 FDBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)C1(C2CCCCC2)CC1 ZINC000976932644 804145019 /nfs/dbraw/zinc/14/50/19/804145019.db2.gz QXNHNIMUFXDKPX-LJIZCISZSA-N 0 1 361.442 1.585 20 5 FDBDMN O=C(Cc1coc2ccccc12)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000977048737 804337992 /nfs/dbraw/zinc/33/79/92/804337992.db2.gz SKVVEIPKNLUPDR-NSIVTLKISA-N 0 1 369.377 1.214 20 5 FDBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC2(CCOCC2)O1 ZINC000279226843 808630599 /nfs/dbraw/zinc/63/05/99/808630599.db2.gz OONIWZHBCDVEJN-LLVKDONJSA-N 0 1 360.370 1.881 20 5 FDBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000419419182 811929705 /nfs/dbraw/zinc/92/97/05/811929705.db2.gz CEUKATHLFVSZJM-OLZOCXBDSA-N 0 1 366.418 1.200 20 5 FDBDMN COc1ccc(CNC(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000419432029 811940446 /nfs/dbraw/zinc/94/04/46/811940446.db2.gz XIIHOYJXLCSODX-OLZOCXBDSA-N 0 1 366.418 1.200 20 5 FDBDMN COCC(C)(C)N1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000424998543 815491978 /nfs/dbraw/zinc/49/19/78/815491978.db2.gz JELBBMKIFZZUTG-UHFFFAOYSA-N 0 1 365.430 1.933 20 5 FDBDMN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425063406 815512478 /nfs/dbraw/zinc/51/24/78/815512478.db2.gz FIJKBOBSSFVWPY-SNVBAGLBSA-N 0 1 359.342 1.043 20 5 FDBDMN CN1CCN(c2cccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000502036137 813793291 /nfs/dbraw/zinc/79/32/91/813793291.db2.gz YKEBQWVWKLYGTO-UHFFFAOYSA-N 0 1 355.398 1.672 20 5 FDBDMN CN1C(=O)NCC12CCN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)CC2 ZINC000425118907 815658814 /nfs/dbraw/zinc/65/88/14/815658814.db2.gz IEWPYVTYUOLAOO-UHFFFAOYSA-N 0 1 358.358 1.101 20 5 FDBDMN O=C(NCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000506333526 817683716 /nfs/dbraw/zinc/68/37/16/817683716.db2.gz XXXRXZUFKVSUGK-UHFFFAOYSA-N 0 1 361.329 1.989 20 5 FDBDMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1ccncc1[N+](=O)[O-] ZINC000473771426 818324791 /nfs/dbraw/zinc/32/47/91/818324791.db2.gz ZVTZNABTPKFWFX-UHFFFAOYSA-N 0 1 369.341 1.431 20 5 FDBDMN O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507090670 818601941 /nfs/dbraw/zinc/60/19/41/818601941.db2.gz UZWIQRRXLYTVLS-WMZOPIPTSA-N 0 1 371.393 1.666 20 5 FDBDMN O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843777736 820932676 /nfs/dbraw/zinc/93/26/76/820932676.db2.gz BRWUZEYQJIRYSK-QWRGUYRKSA-N 0 1 355.778 1.547 20 5 FDBDMN CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000895266511 822350554 /nfs/dbraw/zinc/35/05/54/822350554.db2.gz FWTWMUXZORZYRZ-MRXNPFEDSA-N 0 1 372.429 1.647 20 5 FDBDMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000474204974 822629106 /nfs/dbraw/zinc/62/91/06/822629106.db2.gz TWESWARBNZOREE-UHFFFAOYSA-N 0 1 350.338 1.973 20 5 FDBDMN COC(=O)[C@H]1CN(C)CCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000840505500 824301718 /nfs/dbraw/zinc/30/17/18/824301718.db2.gz XZGWELIQEPFHHJ-VOMSXAGXSA-N 0 1 361.398 1.561 20 5 FDBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CN(C)CCN1C ZINC000896554276 824574420 /nfs/dbraw/zinc/57/44/20/824574420.db2.gz VTNPQWUARHDVSA-YGRLFVJLSA-N 0 1 374.363 1.978 20 5 FDBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)c1 ZINC000896578556 824641470 /nfs/dbraw/zinc/64/14/70/824641470.db2.gz YZPJGAHVTLSCQR-ABAIWWIYSA-N 0 1 352.460 1.681 20 5 FDBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000439589867 825356082 /nfs/dbraw/zinc/35/60/82/825356082.db2.gz WQQNAXGJMCMXKI-AWEZNQCLSA-N 0 1 360.414 1.845 20 5 FDBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@]1(CO)CCOc2ccccc21 ZINC000281740831 826203560 /nfs/dbraw/zinc/20/35/60/826203560.db2.gz QLDMFXLQIWIHAN-IFXJQAMLSA-N 0 1 374.393 1.594 20 5 FDBDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000897185285 827132739 /nfs/dbraw/zinc/13/27/39/827132739.db2.gz ARHZJEOMNVUQMZ-STQMWFEESA-N 0 1 358.402 1.399 20 5 FDBDMN CN(Cc1ncc(Cl)n1C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985425834 827786054 /nfs/dbraw/zinc/78/60/54/827786054.db2.gz KNMUDGWYVUULCA-VXGBXAGGSA-N 0 1 355.826 1.162 20 5 FDBDMN CC(C)(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)n1cc([N+](=O)[O-])cn1 ZINC000523226530 828152522 /nfs/dbraw/zinc/15/25/22/828152522.db2.gz NAHNFXXBEMTVGF-HNNXBMFYSA-N 0 1 357.414 1.917 20 5 FDBDMN CN(C)[C@@H]1CCOc2c(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cccc21 ZINC000447728657 828852696 /nfs/dbraw/zinc/85/26/96/828852696.db2.gz MBZYKJIPJZZLCE-OAHLLOKOSA-N 0 1 372.381 1.780 20 5 FDBDMN CO[C@@H]1COC[C@H]1n1cc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])nn1 ZINC000449338551 829459113 /nfs/dbraw/zinc/45/91/13/829459113.db2.gz SKGOAWISWBXDNX-CSMYWGQOSA-N 0 1 361.402 1.493 20 5 FDBDMN Cn1ccnc1[C@@H](N[C@@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449395183 829472446 /nfs/dbraw/zinc/47/24/46/829472446.db2.gz IKRXMMOCAIABAE-AEFFLSMTSA-N 0 1 373.457 1.854 20 5 FDBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CCc2nncn2C1 ZINC000449846663 829695814 /nfs/dbraw/zinc/69/58/14/829695814.db2.gz ZVXYIBYJDPQORM-SNVBAGLBSA-N 0 1 354.330 1.173 20 5 FDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451300971 830326915 /nfs/dbraw/zinc/32/69/15/830326915.db2.gz IQTHYSXDBLSQKI-LXZKKBNFSA-N 0 1 363.414 1.704 20 5 FDBDMN Cc1c(NC(=O)[C@H](C)N2C[C@@H](C)N(CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000451656432 830420412 /nfs/dbraw/zinc/42/04/12/830420412.db2.gz VPDABPRKVGUESP-GUTXKFCHSA-N 0 1 364.446 1.617 20 5 FDBDMN CN1CCN(C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000531882855 830905764 /nfs/dbraw/zinc/90/57/64/830905764.db2.gz RJDPPVJBDGGIHL-GOSISDBHSA-N 0 1 369.425 1.708 20 5 FDBDMN C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532322165 831135604 /nfs/dbraw/zinc/13/56/04/831135604.db2.gz KSIRXAJTPDYHQL-XJKSGUPXSA-N 0 1 374.445 1.304 20 5 FDBDMN Cc1nnc(CN(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001029964668 831938248 /nfs/dbraw/zinc/93/82/48/831938248.db2.gz UWRIPBBSSLMOCP-CHWSQXEVSA-N 0 1 353.448 1.182 20 5 FDBDMN O=c1[nH]cnc(O[C@@H](C[N+](=O)[O-])C2CC2)c1I ZINC001228927842 832548072 /nfs/dbraw/zinc/54/80/72/832548072.db2.gz IOSIHKNTPSYYLW-LURJTMIESA-N 0 1 351.100 1.221 20 5 FDBDMN CN(CC1CCN(C(=O)CCc2ccco2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000988443897 835107365 /nfs/dbraw/zinc/10/73/65/835107365.db2.gz AJAVQBOBGAZZMW-HZPDHXFCSA-N 0 1 363.414 1.574 20 5 FDBDMN CN(CC1CCN(C(=O)C2CC(F)(F)C2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000988495067 835564002 /nfs/dbraw/zinc/56/40/02/835564002.db2.gz JWYQPUYXAXQXEH-CHWSQXEVSA-N 0 1 359.373 1.394 20 5 FDBDMN Cc1nscc1C(=O)N1CCC(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000988513436 835702868 /nfs/dbraw/zinc/70/28/68/835702868.db2.gz LZLQCCJSYILUAN-TZMCWYRMSA-N 0 1 366.443 1.427 20 5 FDBDMN CCc1occc1C(=O)N1CCC(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000988519620 835739533 /nfs/dbraw/zinc/73/95/33/835739533.db2.gz YRJHBOWSLNWVQZ-HUUCEWRRSA-N 0 1 363.414 1.818 20 5 FDBDMN CN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)c1ccc(F)nc1 ZINC000988532627 835784062 /nfs/dbraw/zinc/78/40/62/835784062.db2.gz OMKPMOMTNJFUJZ-ZIAGYGMSSA-N 0 1 364.377 1.197 20 5 FDBDMN Cc1c(C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)cccc1[N+](=O)[O-] ZINC000428624149 838404062 /nfs/dbraw/zinc/40/40/62/838404062.db2.gz MZFAWTXFJLLDSJ-AWEZNQCLSA-N 0 1 360.414 1.187 20 5 FDBDMN Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000477666675 842708612 /nfs/dbraw/zinc/70/86/12/842708612.db2.gz NJIRNYWFYNFRHK-UHFFFAOYSA-N 0 1 374.401 1.077 20 5 FDBDMN O=C(NCc1nc2c(s1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2)C1CCC1 ZINC000990619298 842977635 /nfs/dbraw/zinc/97/76/35/842977635.db2.gz RBBTVYJZSJMWRN-ZYHUDNBSSA-N 0 1 364.427 1.109 20 5 FDBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000913099568 861412453 /nfs/dbraw/zinc/41/24/53/861412453.db2.gz NEIHTGLYDSRFTG-HIFRSBDPSA-N 0 1 357.414 1.969 20 5 FDBDMN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC(N2CCCC2)C1 ZINC000898608906 844927042 /nfs/dbraw/zinc/92/70/42/844927042.db2.gz LDTLVJSFFUCZSJ-CYBMUJFWSA-N 0 1 350.423 1.134 20 5 FDBDMN COc1ccc([C@@H]2[C@H](COC(=O)[C@@H]3CC3[N+](=O)[O-])CCC(=O)N2C)cc1 ZINC000842306236 846476549 /nfs/dbraw/zinc/47/65/49/846476549.db2.gz HGLODKBHSBWEQQ-DPAVQSFQSA-N 0 1 362.382 1.813 20 5 FDBDMN COc1cc(N2CCC(OC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000842309750 846564997 /nfs/dbraw/zinc/56/49/97/846564997.db2.gz CYZIRXFEVSTUPQ-TZMCWYRMSA-N 0 1 365.342 1.781 20 5 FDBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000907763367 854611042 /nfs/dbraw/zinc/61/10/42/854611042.db2.gz MSCIDKRWFLNPOE-JQZRSOHWSA-N 0 1 362.766 1.841 20 5 FDBDMN CCOc1cccc(CCC(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000991288452 857856694 /nfs/dbraw/zinc/85/66/94/857856694.db2.gz QESGJXSPDIBBJI-HZPDHXFCSA-N 0 1 361.398 1.010 20 5 FDBDMN Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C(F)(F)F)o1 ZINC000991291266 857897077 /nfs/dbraw/zinc/89/70/77/857897077.db2.gz UHKOXYUYERANIM-PSASIEDQSA-N 0 1 361.276 1.213 20 5 FDBDMN O=C(NC1CN(C(=O)c2occc2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991291742 857902537 /nfs/dbraw/zinc/90/25/37/857902537.db2.gz YJBRIBUDAGUNEB-HUUCEWRRSA-N 0 1 355.350 1.552 20 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ZINC000417314176 538027648 /nfs/dbraw/zinc/02/76/48/538027648.db2.gz YGKCNMIRAKCGAT-ZBFHGGJFSA-N 0 1 354.428 1.766 20 5 FDBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000369638361 538031783 /nfs/dbraw/zinc/03/17/83/538031783.db2.gz ZZXDNFZRZSKSKI-UHFFFAOYSA-N 0 1 372.307 1.939 20 5 FDBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000372862172 538044014 /nfs/dbraw/zinc/04/40/14/538044014.db2.gz ZYUYDRNDSDRQPC-AWEZNQCLSA-N 0 1 367.369 1.940 20 5 FDBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000372862172 538044021 /nfs/dbraw/zinc/04/40/21/538044021.db2.gz ZYUYDRNDSDRQPC-AWEZNQCLSA-N 0 1 367.369 1.940 20 5 FDBDMN C[C@H](NC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000419501271 538080286 /nfs/dbraw/zinc/08/02/86/538080286.db2.gz BBUAPFAEGVSBCP-IHRRRGAJSA-N 0 1 350.419 1.752 20 5 FDBDMN CCN(Cc1cn(C)nn1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000450771364 538156503 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FDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451304343 830339525 /nfs/dbraw/zinc/33/95/25/830339525.db2.gz OIDSLCRTKLEHBU-FRFSOERESA-N 0 1 363.414 1.704 20 5 FDBDMN CN(CC1CCN(C(=O)c2ccccc2O)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000988450480 835141851 /nfs/dbraw/zinc/14/18/51/835141851.db2.gz BKMJHAWFEJGWLX-HUUCEWRRSA-N 0 1 361.398 1.368 20 5 FDBDMN CN(CC1CCN(C(=O)C2CC(C)(C)C2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000988521809 835742258 /nfs/dbraw/zinc/74/22/58/835742258.db2.gz VTYLKSRVQKHRSZ-HUUCEWRRSA-N 0 1 351.447 1.785 20 5 FDBDMN CCc1cc(C(=O)N2CCC(CN(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC000988586123 836079634 /nfs/dbraw/zinc/07/96/34/836079634.db2.gz JZBMOKZZZWSEPF-UKRRQHHQSA-N 0 1 364.402 1.213 20 5 FDBDMN Cc1nc(C(=O)N2CCC(CN(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC000988606298 836176627 /nfs/dbraw/zinc/17/66/27/836176627.db2.gz GKHVZKDWOHHJMF-TZMCWYRMSA-N 0 1 366.443 1.427 20 5 FDBDMN CN(CC1CCN(C(=O)c2nccs2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] 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CC(C)(CN1CCOCC1)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911470255 858644359 /nfs/dbraw/zinc/64/43/59/858644359.db2.gz OHFAJTMCXMYBNN-UHFFFAOYSA-N 0 1 357.357 1.848 20 5 FDBDMN CC1(C)CCC(C(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000946702912 881419857 /nfs/dbraw/zinc/41/98/57/881419857.db2.gz CGJJIYZALKMEEF-HUUCEWRRSA-N 0 1 351.447 1.975 20 5 FDBDMN O=C(NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccc2occc2c1 ZINC000946703425 881420628 /nfs/dbraw/zinc/42/06/28/881420628.db2.gz ZBTALPHTMPTQKQ-HUUCEWRRSA-N 0 1 357.366 1.819 20 5 FDBDMN Cc1ccc2cc(C(=O)NC3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC3)[nH]c2c1 ZINC000946703215 881420926 /nfs/dbraw/zinc/42/09/26/881420926.db2.gz PQYGQAXEWHRQDO-RHSMWYFYSA-N 0 1 370.409 1.862 20 5 FDBDMN O=C(NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cc2ccccc2nn1 ZINC000946703405 881421058 /nfs/dbraw/zinc/42/10/58/881421058.db2.gz YJKWDHQBMXRNPV-CZUORRHYSA-N 0 1 369.381 1.016 20 5 FDBDMN O=C(Cc1ccc(Cl)cc1)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946706725 881438104 /nfs/dbraw/zinc/43/81/04/881438104.db2.gz LIHIDCYPUQQQPS-HUUCEWRRSA-N 0 1 365.817 1.655 20 5 FDBDMN C[C@H](O)CN1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C1 ZINC000249502606 861047824 /nfs/dbraw/zinc/04/78/24/861047824.db2.gz JEKCMGSEUFGAGL-STQMWFEESA-N 0 1 361.402 1.532 20 5 FDBDMN Cc1nn(CN2CCN(CCC(=O)N(C)C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761293741 864917425 /nfs/dbraw/zinc/91/74/25/864917425.db2.gz QVGQAMQBMQGZCF-UHFFFAOYSA-N 0 1 374.445 1.306 20 5 FDBDMN O=C1[C@@H](N2CCC[C@H](C3OCCO3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000171758946 865331903 /nfs/dbraw/zinc/33/19/03/865331903.db2.gz SGDDDJFINRAESL-BBRMVZONSA-N 0 1 361.398 1.785 20 5 FDBDMN O=C(NCCCc1nc(=O)[nH][nH]1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000174584099 866584973 /nfs/dbraw/zinc/58/49/73/866584973.db2.gz FSSKVVXVWVPBGZ-UHFFFAOYSA-N 0 1 374.401 1.359 20 5 FDBDMN CC[C@H]1CN(CC)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000456354444 866850491 /nfs/dbraw/zinc/85/04/91/866850491.db2.gz PQMLZUOQCYRFAA-LBPRGKRZSA-N 0 1 374.397 1.134 20 5 FDBDMN CC[C@H]1CN(CC)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000456366597 866862867 /nfs/dbraw/zinc/86/28/67/866862867.db2.gz DCKFBPUJOXPDOO-AWEZNQCLSA-N 0 1 363.414 1.851 20 5 FDBDMN CCc1[nH]nc(C(=O)N2C[C@H](C(=O)OC)[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000456928711 867189802 /nfs/dbraw/zinc/18/98/02/867189802.db2.gz DHROSVMTMBPXNZ-STQMWFEESA-N 0 1 372.381 1.909 20 5 FDBDMN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN2CCCC[C@H]2C1 ZINC000465138089 869134263 /nfs/dbraw/zinc/13/42/63/869134263.db2.gz KEOYRCVMDODVJQ-AWEZNQCLSA-N 0 1 361.398 1.605 20 5 FDBDMN O=C(COC1CCCC1)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060675795 882376225 /nfs/dbraw/zinc/37/62/25/882376225.db2.gz OCXGOIHMNVDQOW-RRCSTGOVSA-N 0 1 367.446 1.402 20 5 FDBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc2sccc2s1 ZINC001003027407 872335921 /nfs/dbraw/zinc/33/59/21/872335921.db2.gz IFEDBQLYTYMHTB-NXEZZACHSA-N 0 1 365.436 1.816 20 5 FDBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc2c(c1)C=CCC2 ZINC001003175823 872726695 /nfs/dbraw/zinc/72/66/95/872726695.db2.gz NZRRPHOIOIVTRZ-IAGOWNOFSA-N 0 1 355.394 1.499 20 5 FDBDMN O=C(NCC1(O)CCC2(CC1)OCCO2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780584531 875431782 /nfs/dbraw/zinc/43/17/82/875431782.db2.gz OEOCZSLBWQIQDT-UHFFFAOYSA-N 0 1 352.343 1.078 20 5 FDBDMN CN(CCc1ccccc1[N+](=O)[O-])S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000915526264 877010302 /nfs/dbraw/zinc/01/03/02/877010302.db2.gz WKZOBNGLGVAODY-KRWDZBQOSA-N 0 1 367.471 1.885 20 5 FDBDMN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000272645941 878195512 /nfs/dbraw/zinc/19/55/12/878195512.db2.gz MERSTLNCCLXBLM-OAHLLOKOSA-N 0 1 373.413 1.904 20 5 FDBDMN CCc1nnc(CN2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001005384213 883143843 /nfs/dbraw/zinc/14/38/43/883143843.db2.gz YUNGZQRZOSGUHY-VXGBXAGGSA-N 0 1 353.448 1.189 20 5 FDBDMN O=C(CCc1ccco1)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060729522 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O=C([O-])N[C@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000740596520 605917353 /nfs/dbraw/zinc/91/73/53/605917353.db2.gz MRVLNFHNWULWFQ-JTQLQIEISA-N 0 1 350.331 1.235 20 5 FDBDMN O=C([O-])N1CC[NH+](CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000834112628 605938249 /nfs/dbraw/zinc/93/82/49/605938249.db2.gz FZKYOMAEDNQLSJ-UHFFFAOYSA-N 0 1 360.374 1.636 20 5 FDBDMN CC[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000820979713 606732227 /nfs/dbraw/zinc/73/22/27/606732227.db2.gz JKYLRDIOJJORLA-JTQLQIEISA-N 0 1 366.403 1.586 20 5 FDBDMN CC[C@@]1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000820950967 606736244 /nfs/dbraw/zinc/73/62/44/606736244.db2.gz TWZSQBGIJHOPTN-AWEZNQCLSA-N 0 1 366.403 1.586 20 5 FDBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821615719 606852938 /nfs/dbraw/zinc/85/29/38/606852938.db2.gz KIQVRSHJQJJHBV-MRXNPFEDSA-N 0 1 354.370 1.940 20 5 FDBDMN O=C(NCc1ccc(-c2nn[nH]n2)cc1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000823249829 607234726 /nfs/dbraw/zinc/23/47/26/607234726.db2.gz LMHKTFVZKCXLNU-UHFFFAOYSA-N 0 1 358.289 1.550 20 5 FDBDMN Cc1c(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826236504 608034988 /nfs/dbraw/zinc/03/49/88/608034988.db2.gz OYQHWFINBYBVIZ-UHFFFAOYSA-N 0 1 371.405 1.453 20 5 FDBDMN Cc1c(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826236504 608034989 /nfs/dbraw/zinc/03/49/89/608034989.db2.gz OYQHWFINBYBVIZ-UHFFFAOYSA-N 0 1 371.405 1.453 20 5 FDBDMN Cc1c(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826236504 608034990 /nfs/dbraw/zinc/03/49/90/608034990.db2.gz OYQHWFINBYBVIZ-UHFFFAOYSA-N 0 1 371.405 1.453 20 5 FDBDMN Cc1c(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826236504 608034991 /nfs/dbraw/zinc/03/49/91/608034991.db2.gz OYQHWFINBYBVIZ-UHFFFAOYSA-N 0 1 371.405 1.453 20 5 FDBDMN CC1(C)CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824801089 608562965 /nfs/dbraw/zinc/56/29/65/608562965.db2.gz AJQYLABZQJUUQI-SECBINFHSA-N 0 1 366.403 1.632 20 5 FDBDMN COCCN1[C@H](C)CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000121409032 671703895 /nfs/dbraw/zinc/70/38/95/671703895.db2.gz JFSYIMRDEGOSAV-BETUJISGSA-N 0 1 353.423 1.057 20 5 FDBDMN Cc1n[nH]cc1[C@@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000180303380 672175662 /nfs/dbraw/zinc/17/56/62/672175662.db2.gz QWXLFRPXDCWJSN-SNVBAGLBSA-N 0 1 353.404 1.255 20 5 FDBDMN CC[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H](C)S1(=O)=O ZINC000288643227 676034329 /nfs/dbraw/zinc/03/43/29/676034329.db2.gz LBVANBUUBXMVEW-MWLCHTKSSA-N 0 1 366.399 1.509 20 5 FDBDMN NC1(c2noc(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2)CCC1 ZINC000261919821 672694138 /nfs/dbraw/zinc/69/41/38/672694138.db2.gz KIBMANHRWAVBBQ-UHFFFAOYSA-N 0 1 351.750 1.899 20 5 FDBDMN C[C@@H]1NCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[C@H]1C ZINC000262739289 672838857 /nfs/dbraw/zinc/83/88/57/672838857.db2.gz BLMMLOITOLQAPM-QWRGUYRKSA-N 0 1 350.400 1.514 20 5 FDBDMN CCN(C[C@H]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1)CC(F)(F)F ZINC000267083375 673247514 /nfs/dbraw/zinc/24/75/14/673247514.db2.gz IGVPEPCVCLSXCC-SNVBAGLBSA-N 0 1 363.340 1.973 20 5 FDBDMN CNC(=O)[C@@H](C)CN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000267103310 673250495 /nfs/dbraw/zinc/25/04/95/673250495.db2.gz PBIOSRKFKGEIDB-WDEREUQCSA-N 0 1 352.391 1.244 20 5 FDBDMN COC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCO1 ZINC000279130041 675246610 /nfs/dbraw/zinc/24/66/10/675246610.db2.gz VZCJMCZDCYAALY-KBPBESRZSA-N 0 1 353.375 1.326 20 5 FDBDMN COC(=O)C1(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000290689568 676224426 /nfs/dbraw/zinc/22/44/26/676224426.db2.gz HQWZJEUBRLXWAZ-UHFFFAOYSA-N 0 1 352.727 1.371 20 5 FDBDMN C[C@H](CN1CCN(C)CC1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280688655 675448366 /nfs/dbraw/zinc/44/83/66/675448366.db2.gz QYPBWIAEWCISFY-LLVKDONJSA-N 0 1 372.828 1.682 20 5 FDBDMN C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1nncn1C ZINC000281305932 675508553 /nfs/dbraw/zinc/50/85/53/675508553.db2.gz ZOVKXLRKVFVIFA-ZCFIWIBFSA-N 0 1 363.758 1.555 20 5 FDBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN2CCCOCC2)c1 ZINC000281525571 675527232 /nfs/dbraw/zinc/52/72/32/675527232.db2.gz JLCUQEAHBIXNLD-UHFFFAOYSA-N 0 1 351.403 1.511 20 5 FDBDMN CCc1nc([C@H](C)NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000283269352 675652623 /nfs/dbraw/zinc/65/26/23/675652623.db2.gz RLLGERFCKFDXGT-QMMMGPOBSA-N 0 1 367.387 1.170 20 5 FDBDMN CN1CC[C@]2(CCN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292136876 676285720 /nfs/dbraw/zinc/28/57/20/676285720.db2.gz LYWUOHIIKWRKEL-INIZCTEOSA-N 0 1 353.444 1.396 20 5 FDBDMN CN1CCC[C@]2(CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000292841424 676320158 /nfs/dbraw/zinc/32/01/58/676320158.db2.gz PSEMINATHXGKCH-HNNXBMFYSA-N 0 1 357.407 1.840 20 5 FDBDMN CN(C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000299388009 676532731 /nfs/dbraw/zinc/53/27/31/676532731.db2.gz QTGNXYURPCCBSX-UHFFFAOYSA-N 0 1 357.432 1.329 20 5 FDBDMN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cccc1S(N)(=O)=O ZINC000324454248 676569737 /nfs/dbraw/zinc/56/97/37/676569737.db2.gz FFUHKBNBDVSICS-UHFFFAOYSA-N 0 1 371.396 1.351 20 5 FDBDMN CC(C)c1[nH]nc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)c1[N+](=O)[O-] ZINC000331588469 676731979 /nfs/dbraw/zinc/73/19/79/676731979.db2.gz KNBYXSXVEWRROK-WDEREUQCSA-N 0 1 350.375 1.652 20 5 FDBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cc1C ZINC000365714892 677375076 /nfs/dbraw/zinc/37/50/76/677375076.db2.gz YGPSZDDIKNEKGM-GFCCVEGCSA-N 0 1 365.415 1.898 20 5 FDBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000371354964 677664508 /nfs/dbraw/zinc/66/45/08/677664508.db2.gz OIUAWNBWDDHZKF-LLVKDONJSA-N 0 1 364.387 1.434 20 5 FDBDMN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)[C@H]2C1 ZINC000376730570 678368272 /nfs/dbraw/zinc/36/82/72/678368272.db2.gz YPTXQLLSWBGZNE-CABZTGNLSA-N 0 1 369.219 1.919 20 5 FDBDMN O=[N+]([O-])c1cc(Br)cnc1N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000378158509 678707133 /nfs/dbraw/zinc/70/71/33/678707133.db2.gz NHEFLQCSALUHQG-WCQYABFASA-N 0 1 371.235 1.788 20 5 FDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCSC[C@H]1CO ZINC000411414997 679031035 /nfs/dbraw/zinc/03/10/35/679031035.db2.gz BDIYNXOETGAUHI-GFCCVEGCSA-N 0 1 355.416 1.342 20 5 FDBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000415574561 679456003 /nfs/dbraw/zinc/45/60/03/679456003.db2.gz WNLVMQNAPDHIJG-MNOVXSKESA-N 0 1 350.375 1.141 20 5 FDBDMN C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000416293312 679577900 /nfs/dbraw/zinc/57/79/00/679577900.db2.gz JOSJLTMJYQOLDG-KBPBESRZSA-N 0 1 350.419 1.310 20 5 FDBDMN CCN1CCC(NS(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000416376104 679592363 /nfs/dbraw/zinc/59/23/63/679592363.db2.gz VHFVEYZFCRNQSW-UHFFFAOYSA-N 0 1 371.415 1.144 20 5 FDBDMN COCCN1CCC[C@@H]1CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416394547 679602990 /nfs/dbraw/zinc/60/29/90/679602990.db2.gz YRJUYNLOOMACLP-CQSZACIVSA-N 0 1 371.459 1.601 20 5 FDBDMN C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)CN1CCO ZINC000418115207 680002400 /nfs/dbraw/zinc/00/24/00/680002400.db2.gz PBUYDPKSMVTGTP-STQMWFEESA-N 0 1 351.403 1.348 20 5 FDBDMN CC1(C)CN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000419164157 680206242 /nfs/dbraw/zinc/20/62/42/680206242.db2.gz LMMUGRYRQHKVBT-UHFFFAOYSA-N 0 1 354.794 1.075 20 5 FDBDMN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC1(O)CCC1 ZINC000420979012 680583797 /nfs/dbraw/zinc/58/37/97/680583797.db2.gz YCONWFMQPOIMDP-UHFFFAOYSA-N 0 1 357.432 1.110 20 5 FDBDMN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000425206164 680884329 /nfs/dbraw/zinc/88/43/29/680884329.db2.gz CNPZRIMLKJOOCA-VIFPVBQESA-N 0 1 371.806 1.853 20 5 FDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](c3nc[nH]n3)C2)c(Cl)c1 ZINC000425206807 680884435 /nfs/dbraw/zinc/88/44/35/680884435.db2.gz DCAHVMJXWHGTGE-MRVPVSSYSA-N 0 1 357.779 1.545 20 5 FDBDMN C[C@H]1CN(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCO1 ZINC000432316769 681152082 /nfs/dbraw/zinc/15/20/82/681152082.db2.gz AGEIITNANVATOD-NSHDSACASA-N 0 1 363.461 1.436 20 5 FDBDMN CCn1cccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1=O ZINC000433351502 681180595 /nfs/dbraw/zinc/18/05/95/681180595.db2.gz JCGGOQGGTATFOD-UHFFFAOYSA-N 0 1 355.347 1.394 20 5 FDBDMN COc1ccc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000436247035 681680554 /nfs/dbraw/zinc/68/05/54/681680554.db2.gz MLNNDYYDPKRKSA-UHFFFAOYSA-N 0 1 366.399 1.067 20 5 FDBDMN Cc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2F)c([N+](=O)[O-])c1 ZINC000440302534 681985344 /nfs/dbraw/zinc/98/53/44/681985344.db2.gz JUMYUOCDFMKTHC-UHFFFAOYSA-N 0 1 353.331 1.942 20 5 FDBDMN COC(=O)COc1ccc(CNC(C)(C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000475099632 685558712 /nfs/dbraw/zinc/55/87/12/685558712.db2.gz GBQXFXDNSFIYSJ-UHFFFAOYSA-N 0 1 374.415 1.059 20 5 FDBDMN CC[C@H](Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-])[C@@H](C)O ZINC000450789203 682781057 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ZINC000425450134 816309300 /nfs/dbraw/zinc/30/93/00/816309300.db2.gz UOPGHQZNNKAJEJ-UHFFFAOYSA-N 0 1 364.446 1.890 20 5 FDBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425821354 817153106 /nfs/dbraw/zinc/15/31/06/817153106.db2.gz QTOUCCFLLGQGLT-LLVKDONJSA-N 0 1 358.358 1.230 20 5 FDBDMN COC(=O)COc1ccc(CN[C@@H]2CCN(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000474347723 822726477 /nfs/dbraw/zinc/72/64/77/822726477.db2.gz FIAIPVJEUOGYJK-CYBMUJFWSA-N 0 1 365.386 1.246 20 5 FDBDMN COC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000840301394 822777260 /nfs/dbraw/zinc/77/72/60/822777260.db2.gz SGWHPKYFYWRBLB-GMTAPVOTSA-N 0 1 357.160 1.445 20 5 FDBDMN C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000896549864 824553494 /nfs/dbraw/zinc/55/34/94/824553494.db2.gz VFRQNVRSCHROAS-OZVIIMIRSA-N 0 1 352.410 1.588 20 5 FDBDMN C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CN(C)CCN1C ZINC000896549864 824553496 /nfs/dbraw/zinc/55/34/96/824553496.db2.gz VFRQNVRSCHROAS-OZVIIMIRSA-N 0 1 352.410 1.588 20 5 FDBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CN(C)CCN1C ZINC000896554268 824574475 /nfs/dbraw/zinc/57/44/75/824574475.db2.gz VTNPQWUARHDVSA-HZMBPMFUSA-N 0 1 374.363 1.978 20 5 FDBDMN CCC[C@H](NC(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000267743112 825030502 /nfs/dbraw/zinc/03/05/02/825030502.db2.gz ZIUMBULRMXHQSA-LBPRGKRZSA-N 0 1 362.346 1.556 20 5 FDBDMN COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(Br)cc1F ZINC000841128142 828750832 /nfs/dbraw/zinc/75/08/32/828750832.db2.gz QSIFJTQIFITYJG-LHLIQPBNSA-N 0 1 361.123 1.979 20 5 FDBDMN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840672777 825419165 /nfs/dbraw/zinc/41/91/65/825419165.db2.gz NPEGYJOHCINTTL-IRUJWGPZSA-N 0 1 350.327 1.317 20 5 FDBDMN CC[C@@H](CO)N1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000280890627 825808464 /nfs/dbraw/zinc/80/84/64/825808464.db2.gz BRYJLXAGKLNPDY-HNNXBMFYSA-N 0 1 365.430 1.587 20 5 FDBDMN CC(C)c1nnc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC000985433006 827807758 /nfs/dbraw/zinc/80/77/58/827807758.db2.gz HUYMDAWKZLIQTF-CHWSQXEVSA-N 0 1 367.475 1.750 20 5 FDBDMN COC(=O)CCN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000444671172 828172780 /nfs/dbraw/zinc/17/27/80/828172780.db2.gz JNOGXQLOKSCPCE-GFCCVEGCSA-N 0 1 361.402 1.540 20 5 FDBDMN Cc1cc(C(=O)N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@H](C)C2)n[nH]1 ZINC000457258389 828274567 /nfs/dbraw/zinc/27/45/67/828274567.db2.gz FBMHUMCKSUQWIY-CYBMUJFWSA-N 0 1 371.397 1.542 20 5 FDBDMN COc1ccc(-c2n[nH]c(CNC(=O)c3[nH]nc(C)c3[N+](=O)[O-])n2)cc1 ZINC000508531653 828322989 /nfs/dbraw/zinc/32/29/89/828322989.db2.gz OHTBTSPKMNILMN-UHFFFAOYSA-N 0 1 357.330 1.350 20 5 FDBDMN COc1ccc(-c2nc(CNC(=O)c3[nH]nc(C)c3[N+](=O)[O-])n[nH]2)cc1 ZINC000508531653 828322997 /nfs/dbraw/zinc/32/29/97/828322997.db2.gz OHTBTSPKMNILMN-UHFFFAOYSA-N 0 1 357.330 1.350 20 5 FDBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000448831970 829260362 /nfs/dbraw/zinc/26/03/62/829260362.db2.gz BGLBIZSSSZWXMN-CQSZACIVSA-N 0 1 369.337 1.005 20 5 FDBDMN O=[N+]([O-])c1cc(CN2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c2c(c1)COCO2 ZINC000449433822 829498557 /nfs/dbraw/zinc/49/85/57/829498557.db2.gz NXZCXPYPHDBWHD-JLZZUVOBSA-N 0 1 364.398 1.823 20 5 FDBDMN C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000453769648 831064121 /nfs/dbraw/zinc/06/41/21/831064121.db2.gz OXOAUASWTHPFSA-LLVKDONJSA-N 0 1 364.377 1.615 20 5 FDBDMN CC(C)(C)c1nc(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000459261159 834892002 /nfs/dbraw/zinc/89/20/02/834892002.db2.gz MCYOBMRSJHDQDP-UHFFFAOYSA-N 0 1 374.401 1.983 20 5 FDBDMN CN(CC1CCN(C(=O)Cc2ccsc2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000988437592 835072022 /nfs/dbraw/zinc/07/20/22/835072022.db2.gz UPSYNZDQPBJQDA-HUUCEWRRSA-N 0 1 365.455 1.653 20 5 FDBDMN CN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)c1cscn1 ZINC000988532619 835784600 /nfs/dbraw/zinc/78/46/00/835784600.db2.gz OFVBKYGWGGTQJC-DGCLKSJQSA-N 0 1 352.416 1.119 20 5 FDBDMN CC(C)c1[nH]nc(C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000478696684 844142931 /nfs/dbraw/zinc/14/29/31/844142931.db2.gz VSBSUTALMIJFAB-UHFFFAOYSA-N 0 1 366.422 1.707 20 5 FDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCc1ccc(Cn2cncn2)cc1 ZINC001212025691 836309632 /nfs/dbraw/zinc/30/96/32/836309632.db2.gz DKHBQOQIKGIMGU-UHFFFAOYSA-N 0 1 374.382 1.108 20 5 FDBDMN Cc1cc(C(=O)N2CCN(CCOc3cccc([N+](=O)[O-])c3)[C@H](C)C2)n[nH]1 ZINC000459569174 838847499 /nfs/dbraw/zinc/84/74/99/838847499.db2.gz LUNJOFWRLJOVDG-CQSZACIVSA-N 0 1 373.413 1.852 20 5 FDBDMN CCc1nc([C@H](C)NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)n[nH]1 ZINC000477325331 842525488 /nfs/dbraw/zinc/52/54/88/842525488.db2.gz UBDSSEJXQXIATG-VIFPVBQESA-N 0 1 356.346 1.347 20 5 FDBDMN CC(C)=CC(=O)N1CCc2sc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nc2C1 ZINC000990611919 842942066 /nfs/dbraw/zinc/94/20/66/842942066.db2.gz VNMFFPLNRZVNPX-ZYHUDNBSSA-N 0 1 364.427 1.275 20 5 FDBDMN Cc1nc(CN2CCN(C(=O)c3c(C)c(F)ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000843800845 845234547 /nfs/dbraw/zinc/23/45/47/845234547.db2.gz PCDGWAUXVWKJMA-UHFFFAOYSA-N 0 1 362.365 1.427 20 5 FDBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCc2n[nH]c(=O)cc2C1 ZINC000481346696 846413829 /nfs/dbraw/zinc/41/38/29/846413829.db2.gz ZWMZYGMTPPLBFR-UHFFFAOYSA-N 0 1 371.353 1.447 20 5 FDBDMN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000249263212 849172686 /nfs/dbraw/zinc/17/26/86/849172686.db2.gz IDOTWCYTQRIKDI-ISOBSLSZSA-N 0 1 358.354 1.885 20 5 FDBDMN O=C(N[C@H]1CCCc2cn[nH]c21)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000484724535 851070894 /nfs/dbraw/zinc/07/08/94/851070894.db2.gz HKDOEIFJEWWOGX-NWDGAFQWSA-N 0 1 373.369 1.709 20 5 FDBDMN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@H](C2OCCO2)C1 ZINC000905697456 852221164 /nfs/dbraw/zinc/22/11/64/852221164.db2.gz LHDLUTDMOJUIHT-HOCLYGCPSA-N 0 1 361.398 1.563 20 5 FDBDMN O=C(c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)N1CC[C@@H](N2CCC2)C1 ZINC000906618292 853055223 /nfs/dbraw/zinc/05/52/23/853055223.db2.gz MGZFIPMPZQKPKZ-OAHLLOKOSA-N 0 1 356.386 1.155 20 5 FDBDMN C[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C)CC1 ZINC000906683573 853161211 /nfs/dbraw/zinc/16/12/11/853161211.db2.gz NPZDIVOOQIYXAZ-ZDUSSCGKSA-N 0 1 368.865 1.933 20 5 FDBDMN COc1ccc(S(=O)(=O)N2CCC23CCN(C)CC3)cc1[N+](=O)[O-] ZINC000907850031 854715966 /nfs/dbraw/zinc/71/59/66/854715966.db2.gz JNIAAEIYRXPUFD-UHFFFAOYSA-N 0 1 355.416 1.462 20 5 FDBDMN CN(CCC[NH+]1CCN(C)CC1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000910356719 857102115 /nfs/dbraw/zinc/10/21/15/857102115.db2.gz GYRDTLUVWZDBSD-UHFFFAOYSA-N 0 1 350.419 1.296 20 5 FDBDMN Cc1ccc2c(CC(=O)N3CC(NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)coc2c1 ZINC000991286504 857817305 /nfs/dbraw/zinc/81/73/05/857817305.db2.gz KVCNTABXZKOLOA-HUUCEWRRSA-N 0 1 357.366 1.276 20 5 FDBDMN O=C(NC1CN(C(=O)c2cc3ccc(F)cc3s2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991290663 857851908 /nfs/dbraw/zinc/85/19/08/857851908.db2.gz NBTTXSFWMWTPPE-VXGBXAGGSA-N 0 1 363.370 1.646 20 5 FDBDMN O=C(NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1csc(C2CC2)n1 ZINC000946703166 881419971 /nfs/dbraw/zinc/41/99/71/881419971.db2.gz NVFUSNUGTQHCOY-DGCLKSJQSA-N 0 1 364.427 1.407 20 5 FDBDMN O=C(NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cc2ncccc2o1 ZINC000946703240 881420503 /nfs/dbraw/zinc/42/05/03/881420503.db2.gz QMXAFMGGIQEZTN-DGCLKSJQSA-N 0 1 358.354 1.214 20 5 FDBDMN Cc1cc(C)c(C(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC000946705437 881426012 /nfs/dbraw/zinc/42/60/12/881426012.db2.gz AABVHNTUZGDCGC-CHWSQXEVSA-N 0 1 351.428 1.751 20 5 FDBDMN O=C(NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cc2[nH]ccc2s1 ZINC000946705586 881427277 /nfs/dbraw/zinc/42/72/77/881427277.db2.gz IVYYIRTZTSMTEK-ZYHUDNBSSA-N 0 1 362.411 1.615 20 5 FDBDMN O=C(NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cccnc1C(F)F ZINC000946705753 881428608 /nfs/dbraw/zinc/42/86/08/881428608.db2.gz QXQWLNZTCHKHNR-VXGBXAGGSA-N 0 1 368.340 1.405 20 5 FDBDMN CC(C)(C)c1cc(C(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC000946705916 881428815 /nfs/dbraw/zinc/42/88/15/881428815.db2.gz ZOHMFMGHTZTOPF-DGCLKSJQSA-N 0 1 364.402 1.358 20 5 FDBDMN Cc1c(C(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cnn1C(C)C ZINC000946706908 881440515 /nfs/dbraw/zinc/44/05/15/881440515.db2.gz VEVVFYHTCXCGHY-UKRRQHHQSA-N 0 1 363.418 1.158 20 5 FDBDMN Cn1cc(C(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c2ccccc21 ZINC000946706494 881435879 /nfs/dbraw/zinc/43/58/79/881435879.db2.gz ANJWWDSGMZULJR-RHSMWYFYSA-N 0 1 370.409 1.564 20 5 FDBDMN Cc1cc(C)c(C(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)c1 ZINC000946706859 881438434 /nfs/dbraw/zinc/43/84/34/881438434.db2.gz RLLVUILKHHJSES-HZPDHXFCSA-N 0 1 359.426 1.998 20 5 FDBDMN CC(C)(C)c1n[nH]cc1C(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946706713 881438542 /nfs/dbraw/zinc/43/85/42/881438542.db2.gz KWBVWRPHTUKPQO-DGCLKSJQSA-N 0 1 363.418 1.093 20 5 FDBDMN 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CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000597623659 552813575 /nfs/dbraw/zinc/81/35/75/552813575.db2.gz CDWPBSACNWUEEL-AWEZNQCLSA-N 0 1 364.471 1.827 20 5 FDBDMN C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597693076 552822723 /nfs/dbraw/zinc/82/27/23/552822723.db2.gz AFMRLIVMPHUMLR-JSGCOSHPSA-N 0 1 369.805 1.889 20 5 FDBDMN COCc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n[nH]1 ZINC000598049174 552860768 /nfs/dbraw/zinc/86/07/68/552860768.db2.gz FYAGONUCWRTSBY-UHFFFAOYSA-N 0 1 359.264 1.808 20 5 FDBDMN COCc1nnc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[nH]1 ZINC000598049174 552860770 /nfs/dbraw/zinc/86/07/70/552860770.db2.gz FYAGONUCWRTSBY-UHFFFAOYSA-N 0 1 359.264 1.808 20 5 FDBDMN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598450338 552896375 /nfs/dbraw/zinc/89/63/75/552896375.db2.gz DIKXILDWTDFWFM-LBPRGKRZSA-N 0 1 369.805 1.625 20 5 FDBDMN Cc1ccc(S(=O)(=O)N2CC[C@H]3CCN(C)C[C@H]32)c(C)c1[N+](=O)[O-] ZINC000598605161 552914487 /nfs/dbraw/zinc/91/44/87/552914487.db2.gz AICXDFJNGGCKKG-ZIAGYGMSSA-N 0 1 353.444 1.926 20 5 FDBDMN CC[C@H](C)N1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598633029 552918554 /nfs/dbraw/zinc/91/85/54/552918554.db2.gz ICYMBQDOKVIKRZ-ZDUSSCGKSA-N 0 1 350.423 1.142 20 5 FDBDMN CN(C)S(=O)(=O)N1CC(N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599090471 552966622 /nfs/dbraw/zinc/96/66/22/552966622.db2.gz LBQGJJXEISMEHO-INIZCTEOSA-N 0 1 368.459 1.443 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)n1 ZINC000599216806 552989340 /nfs/dbraw/zinc/98/93/40/552989340.db2.gz WNQZIOHJAJWVRK-SNVBAGLBSA-N 0 1 372.403 1.983 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCc3cc(Cl)ccc32)n1 ZINC000599218446 552990342 /nfs/dbraw/zinc/99/03/42/552990342.db2.gz PDKAMPDXMQBMGY-LLVKDONJSA-N 0 1 356.791 1.948 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccccc2OC2CCC2)n1 ZINC000599234700 552996593 /nfs/dbraw/zinc/99/65/93/552996593.db2.gz MPVYLZDAQASGEY-UHFFFAOYSA-N 0 1 366.399 1.738 20 5 FDBDMN CCO[C@@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C12CCCC2 ZINC000599253827 553003770 /nfs/dbraw/zinc/00/37/70/553003770.db2.gz OGWDRPPFYXVZNW-NWDGAFQWSA-N 0 1 358.420 1.344 20 5 FDBDMN C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000599256217 553004744 /nfs/dbraw/zinc/00/47/44/553004744.db2.gz WYGGTKAXCGFFNF-BFVZDQMLSA-N 0 1 366.399 1.560 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCOc2ccccc2Cl)n1 ZINC000599264202 553007988 /nfs/dbraw/zinc/00/79/88/553007988.db2.gz BYXXHCYFPTUMJY-UHFFFAOYSA-N 0 1 360.779 1.339 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2csc(C(C)(C)C)n2)n1 ZINC000599269867 553010116 /nfs/dbraw/zinc/01/01/16/553010116.db2.gz WLIHPMXJXAEYGU-UHFFFAOYSA-N 0 1 373.460 1.603 20 5 FDBDMN C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599271463 553010702 /nfs/dbraw/zinc/01/07/02/553010702.db2.gz LERZDGHWKGWWOG-NEPJUHHUSA-N 0 1 371.463 1.260 20 5 FDBDMN C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000599271463 553010704 /nfs/dbraw/zinc/01/07/04/553010704.db2.gz LERZDGHWKGWWOG-NEPJUHHUSA-N 0 1 371.463 1.260 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2cc(F)c(F)c(F)c2)n1 ZINC000599274213 553011664 /nfs/dbraw/zinc/01/16/64/553011664.db2.gz NRTUUWHKSFYXMX-UHFFFAOYSA-N 0 1 364.305 1.267 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](c2ccccc2)C(C)(C)CO)n1 ZINC000599291360 553017415 /nfs/dbraw/zinc/01/74/15/553017415.db2.gz LZQSOTKIMMZMRH-ZDUSSCGKSA-N 0 1 368.415 1.366 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCSc2ccccn2)n1 ZINC000599336462 553031074 /nfs/dbraw/zinc/03/10/74/553031074.db2.gz MYASHLLAECVOSH-UHFFFAOYSA-N 0 1 357.417 1.184 20 5 FDBDMN Cc1cc(F)ccc1C[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599338219 553031326 /nfs/dbraw/zinc/03/13/26/553031326.db2.gz QWMIMXBBPGNQPY-SNVBAGLBSA-N 0 1 356.379 1.685 20 5 FDBDMN CC[N@H+](CCC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CCCCC1 ZINC000599340733 553031704 /nfs/dbraw/zinc/03/17/04/553031704.db2.gz ZJEJXFMEOKAOLV-UHFFFAOYSA-N 0 1 373.479 1.651 20 5 FDBDMN CC[N@@H+](CCC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CCCCC1 ZINC000599340733 553031705 /nfs/dbraw/zinc/03/17/05/553031705.db2.gz ZJEJXFMEOKAOLV-UHFFFAOYSA-N 0 1 373.479 1.651 20 5 FDBDMN CC(C)[C@@H](O)[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000599347319 553033628 /nfs/dbraw/zinc/03/36/28/553033628.db2.gz GRHLHAVQGHHGHQ-UONOGXRCSA-N 0 1 368.415 1.365 20 5 FDBDMN COC[C@]1(C)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000599693930 553123775 /nfs/dbraw/zinc/12/37/75/553123775.db2.gz IUEOKUFZJYUPER-KRWDZBQOSA-N 0 1 351.403 1.969 20 5 FDBDMN C[C@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@@H]1C(=O)[O-] ZINC000600697725 553303241 /nfs/dbraw/zinc/30/32/41/553303241.db2.gz AIZSBLFRIZTWGV-AAEUAGOBSA-N 0 1 363.370 1.935 20 5 FDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000600697755 553303290 /nfs/dbraw/zinc/30/32/90/553303290.db2.gz AMOWOUPLIRPTGV-MDZLAQPJSA-N 0 1 365.386 1.973 20 5 FDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000600697755 553303293 /nfs/dbraw/zinc/30/32/93/553303293.db2.gz AMOWOUPLIRPTGV-MDZLAQPJSA-N 0 1 365.386 1.973 20 5 FDBDMN CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000600701520 553304427 /nfs/dbraw/zinc/30/44/27/553304427.db2.gz KTFCNNOUGVCHOK-AAEUAGOBSA-N 0 1 365.386 1.975 20 5 FDBDMN CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000600701520 553304428 /nfs/dbraw/zinc/30/44/28/553304428.db2.gz KTFCNNOUGVCHOK-AAEUAGOBSA-N 0 1 365.386 1.975 20 5 FDBDMN COc1ccc(OCCN(C)[C@@H]2CCCCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000601967758 553496957 /nfs/dbraw/zinc/49/69/57/553496957.db2.gz AXCQUVTZMDTPBP-CQSZACIVSA-N 0 1 351.403 1.925 20 5 FDBDMN CN1CCN(C)[C@@H](CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602545783 553603860 /nfs/dbraw/zinc/60/38/60/553603860.db2.gz QBUHHRDDBTUQQK-VIFPVBQESA-N 0 1 363.281 1.754 20 5 FDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(NC(=O)c2ccccc2)CC1 ZINC000602766490 553633785 /nfs/dbraw/zinc/63/37/85/553633785.db2.gz LXLHQQYSJYIVNX-UHFFFAOYSA-N 0 1 357.414 1.994 20 5 FDBDMN Cc1csc(CC2(O)CCN(CCn3c(C)ncc3[N+](=O)[O-])CC2)n1 ZINC000602893536 553662993 /nfs/dbraw/zinc/66/29/93/553662993.db2.gz PZLREAYSXWWPSV-UHFFFAOYSA-N 0 1 365.459 1.934 20 5 FDBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(CCN3CCOCC3)C2)c(F)c1 ZINC000603422793 553784801 /nfs/dbraw/zinc/78/48/01/553784801.db2.gz IYOVVCFAFDAYAG-CQSZACIVSA-N 0 1 352.410 1.942 20 5 FDBDMN CN1CCC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000609518914 554386533 /nfs/dbraw/zinc/38/65/33/554386533.db2.gz VUVYHAOHMQFFCG-VXGBXAGGSA-N 0 1 350.375 1.003 20 5 FDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000609671787 554409336 /nfs/dbraw/zinc/40/93/36/554409336.db2.gz GJXJHVMKCXCYBE-IRXDYDNUSA-N 0 1 362.430 1.373 20 5 FDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000609672161 554409655 /nfs/dbraw/zinc/40/96/55/554409655.db2.gz RUNHNHNHQSJYMG-GOEBONIOSA-N 0 1 362.430 1.373 20 5 FDBDMN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(CC2CC2)CC1 ZINC000609842077 554427884 /nfs/dbraw/zinc/42/78/84/554427884.db2.gz JUKGZZKWXRAPKJ-AWEZNQCLSA-N 0 1 364.450 1.381 20 5 FDBDMN COc1ccc(CN[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000610272179 554485602 /nfs/dbraw/zinc/48/56/02/554485602.db2.gz GOIAPWCXHZWRSM-FZMZJTMJSA-N 0 1 359.386 1.621 20 5 FDBDMN CN(CC(=O)Nc1nc(-c2ccccn2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000610290854 554487383 /nfs/dbraw/zinc/48/73/83/554487383.db2.gz KFAZHHUJMSDPCU-UHFFFAOYSA-N 0 1 353.342 1.850 20 5 FDBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000610664668 554545963 /nfs/dbraw/zinc/54/59/63/554545963.db2.gz LNHZDLCDSZMUBG-UHFFFAOYSA-N 0 1 355.358 1.953 20 5 FDBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000610924034 554581452 /nfs/dbraw/zinc/58/14/52/554581452.db2.gz UQJTXSBZARDNFT-SNVBAGLBSA-N 0 1 368.390 1.624 20 5 FDBDMN CCc1nc([C@H](C)NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cs1 ZINC000611105811 554605692 /nfs/dbraw/zinc/60/56/92/554605692.db2.gz TWNHSTYEHCUIJE-QMMMGPOBSA-N 0 1 359.433 1.870 20 5 FDBDMN CCOC(=O)C[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611238014 554618573 /nfs/dbraw/zinc/61/85/73/554618573.db2.gz XDJFLFFNQIEKFB-AWEZNQCLSA-N 0 1 352.387 1.752 20 5 FDBDMN CN(C)c1ccnc(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000612346765 554765230 /nfs/dbraw/zinc/76/52/30/554765230.db2.gz XKLTVQMXDVRIJW-UHFFFAOYSA-N 0 1 372.385 1.494 20 5 FDBDMN CNc1c(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000613228641 554901789 /nfs/dbraw/zinc/90/17/89/554901789.db2.gz BYIRODXXJVEDKY-AWEZNQCLSA-N 0 1 362.430 1.963 20 5 FDBDMN COCCN1CCC[C@@H](NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000616323406 555291868 /nfs/dbraw/zinc/29/18/68/555291868.db2.gz JXLJVZDVGCHSLD-CQSZACIVSA-N 0 1 351.403 1.752 20 5 FDBDMN Cc1ccc(S(=O)(=O)Nc2ccc(-n3cncn3)cn2)cc1[N+](=O)[O-] ZINC000616346317 555293969 /nfs/dbraw/zinc/29/39/69/555293969.db2.gz WTMWGRUQPOICNG-UHFFFAOYSA-N 0 1 360.355 1.680 20 5 FDBDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000619494384 555788639 /nfs/dbraw/zinc/78/86/39/555788639.db2.gz UTCPLPTVWDBFMT-SECBINFHSA-N 0 1 369.403 1.884 20 5 FDBDMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000819513867 597454425 /nfs/dbraw/zinc/45/44/25/597454425.db2.gz UDKDKFIDGZKQGW-JTQLQIEISA-N 0 1 366.326 1.072 20 5 FDBDMN CC(C)[N@H+]1CC[C@H](CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000736474925 600432926 /nfs/dbraw/zinc/43/29/26/600432926.db2.gz QYIOZCMQVWUSMS-GFCCVEGCSA-N 0 1 364.402 1.551 20 5 FDBDMN CC[C@@H](O)C[NH+]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736928520 600670849 /nfs/dbraw/zinc/67/08/49/600670849.db2.gz UPXRQOCBBUFLRX-LLVKDONJSA-N 0 1 368.346 1.094 20 5 FDBDMN NC(=O)c1ccc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c([N+](=O)[O-])c1 ZINC000833083993 601049541 /nfs/dbraw/zinc/04/95/41/601049541.db2.gz DSPXYYOFYKTDJN-UHFFFAOYSA-N 0 1 351.359 1.149 20 5 FDBDMN COC[C@](C)(CC(=O)[O-])[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000831586134 601135842 /nfs/dbraw/zinc/13/58/42/601135842.db2.gz UEKGOHDUCXNVJX-HNNXBMFYSA-N 0 1 350.331 1.614 20 5 FDBDMN CC[N@@H+](C)C[C@@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829613491 601225286 /nfs/dbraw/zinc/22/52/86/601225286.db2.gz MGYCVMQMNWEMQB-JTQLQIEISA-N 0 1 352.347 1.979 20 5 FDBDMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000827380319 601427506 /nfs/dbraw/zinc/42/75/06/601427506.db2.gz RCITYPASHMSTGT-JTQLQIEISA-N 0 1 355.778 1.869 20 5 FDBDMN COc1ccc(NC(=O)CC[N@H+]2CC[C@@](F)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000832393789 601555235 /nfs/dbraw/zinc/55/52/35/601555235.db2.gz IONDFVMFZRVKJK-HNNXBMFYSA-N 0 1 355.322 1.431 20 5 FDBDMN CN(C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000739637759 601851749 /nfs/dbraw/zinc/85/17/49/601851749.db2.gz RHAODQLHRRVSDO-ZDUSSCGKSA-N 0 1 364.402 1.879 20 5 FDBDMN CN(C[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000739637759 601851754 /nfs/dbraw/zinc/85/17/54/601851754.db2.gz RHAODQLHRRVSDO-ZDUSSCGKSA-N 0 1 364.402 1.879 20 5 FDBDMN CNC(=O)C[NH+]1CCC(Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830991871 602251358 /nfs/dbraw/zinc/25/13/58/602251358.db2.gz RQRIVSQDFIZCNK-UHFFFAOYSA-N 0 1 370.793 1.569 20 5 FDBDMN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)[O-] ZINC000739182839 602777677 /nfs/dbraw/zinc/77/76/77/602777677.db2.gz PZMVTGRNGKUEHY-RISCZKNCSA-N 0 1 350.375 1.901 20 5 FDBDMN COc1ccc(NC(=O)CC[N@H+]2CCCN(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000739920236 602822351 /nfs/dbraw/zinc/82/23/51/602822351.db2.gz MNIVJTNEAQRLEV-UHFFFAOYSA-N 0 1 366.374 1.618 20 5 FDBDMN 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20 5 FDBDMN COCCN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593336814 552091556 /nfs/dbraw/zinc/09/15/56/552091556.db2.gz AHWLFJZMHKOGHB-UHFFFAOYSA-N 0 1 364.446 1.966 20 5 FDBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CC(N4CC[C@@H](O)C4)C3)cs2)c1 ZINC000593680394 552172540 /nfs/dbraw/zinc/17/25/40/552172540.db2.gz UGSFFTNYAQENKC-MRXNPFEDSA-N 0 1 360.439 1.969 20 5 FDBDMN CCc1nc(CNC(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)n[nH]1 ZINC000593729114 552184606 /nfs/dbraw/zinc/18/46/06/552184606.db2.gz NKQYCUUMMCNHNN-UHFFFAOYSA-N 0 1 369.385 1.759 20 5 FDBDMN O=C([O-])[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593758856 552192780 /nfs/dbraw/zinc/19/27/80/552192780.db2.gz SZNKRXCPSWFDAQ-VNQPRFMTSA-N 0 1 350.371 1.377 20 5 FDBDMN Nc1c(C(=O)NCc2n[nH]c([C@H]3CCCO3)n2)cc(F)cc1[N+](=O)[O-] ZINC000594385456 552300300 /nfs/dbraw/zinc/30/03/00/552300300.db2.gz NCNZFYIIPDMXAK-SNVBAGLBSA-N 0 1 350.310 1.216 20 5 FDBDMN Cc1sc(S(=O)(=O)NCc2n[nH]c([C@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000594473789 552319350 /nfs/dbraw/zinc/31/93/50/552319350.db2.gz NRHIMAKHAYKJGD-SECBINFHSA-N 0 1 373.416 1.413 20 5 FDBDMN CCOC(=O)c1ccnc(NCc2n[nH]c([C@H]3CCCO3)n2)c1[N+](=O)[O-] ZINC000594589087 552338246 /nfs/dbraw/zinc/33/82/46/552338246.db2.gz HSRNAKOIYACDST-SNVBAGLBSA-N 0 1 362.346 1.748 20 5 FDBDMN C[N@H+](CCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC000594745827 552369202 /nfs/dbraw/zinc/36/92/02/552369202.db2.gz LKXARFZZQBKUHO-UHFFFAOYSA-N 0 1 356.448 1.923 20 5 FDBDMN C[N@@H+](CCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC000594745827 552369203 /nfs/dbraw/zinc/36/92/03/552369203.db2.gz LKXARFZZQBKUHO-UHFFFAOYSA-N 0 1 356.448 1.923 20 5 FDBDMN O=C1[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000594764357 552375620 /nfs/dbraw/zinc/37/56/20/552375620.db2.gz LASCOGNAVCCOIF-GFCCVEGCSA-N 0 1 368.415 1.202 20 5 FDBDMN CC(C)OC(=O)C[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)C ZINC000594796543 552387838 /nfs/dbraw/zinc/38/78/38/552387838.db2.gz SYXDSTBRAKFRDP-LLVKDONJSA-N 0 1 359.404 1.634 20 5 FDBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000595024578 552439337 /nfs/dbraw/zinc/43/93/37/552439337.db2.gz AYBRCHKOBGAYHQ-NJZAAPMLSA-N 0 1 351.403 1.890 20 5 FDBDMN Cc1c(CN2CCC(NC(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000595549749 552582480 /nfs/dbraw/zinc/58/24/80/552582480.db2.gz MBOPXBXQYSRYKQ-UHFFFAOYSA-N 0 1 362.430 1.909 20 5 FDBDMN CN(C)C(=O)N(C)[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595823946 552619998 /nfs/dbraw/zinc/61/99/98/552619998.db2.gz VRBZAKDXTJQXAU-KBPBESRZSA-N 0 1 366.418 1.022 20 5 FDBDMN Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000595883807 552628320 /nfs/dbraw/zinc/62/83/20/552628320.db2.gz GACKHLIYDZZWFN-PSTGCABASA-N 0 1 363.370 1.263 20 5 FDBDMN NC(=O)c1ccc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000595883783 552628447 /nfs/dbraw/zinc/62/84/47/552628447.db2.gz FEYODMWVOHZIFQ-HNNXBMFYSA-N 0 1 355.350 1.878 20 5 FDBDMN NC(=O)c1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000595883783 552628448 /nfs/dbraw/zinc/62/84/48/552628448.db2.gz FEYODMWVOHZIFQ-HNNXBMFYSA-N 0 1 355.350 1.878 20 5 FDBDMN O=c1[nH]ccc(N2CCN(CCCOCC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000596086666 552653733 /nfs/dbraw/zinc/65/37/33/552653733.db2.gz AEVWLZFAQWSHTF-UHFFFAOYSA-N 0 1 364.324 1.786 20 5 FDBDMN COc1c(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000597620138 552812883 /nfs/dbraw/zinc/81/28/83/552812883.db2.gz MZSIFPAEDVFRIA-CQSZACIVSA-N 0 1 363.414 1.930 20 5 FDBDMN O=C(NC[C@@H]1CN2CCN1CCC2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000597627002 552814372 /nfs/dbraw/zinc/81/43/72/552814372.db2.gz WKCZYFMFKOLYEY-GFCCVEGCSA-N 0 1 372.347 1.733 20 5 FDBDMN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)Cc2cnc[nH]2)ccc1[N+](=O)[O-] ZINC000597860610 552841798 /nfs/dbraw/zinc/84/17/98/552841798.db2.gz AKSOXJKGIZGYNZ-INIZCTEOSA-N 0 1 371.397 1.890 20 5 FDBDMN O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598062760 552862326 /nfs/dbraw/zinc/86/23/26/552862326.db2.gz UPRIYODXHNCXLQ-UHFFFAOYSA-N 0 1 371.397 1.732 20 5 FDBDMN COC(=O)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000598172055 552871843 /nfs/dbraw/zinc/87/18/43/552871843.db2.gz ZOEMSEATRZTZJT-TUAOUCFPSA-N 0 1 350.375 1.820 20 5 FDBDMN C[C@H]1CC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CS1(=O)=O ZINC000598189944 552874476 /nfs/dbraw/zinc/87/44/76/552874476.db2.gz DLPXUKJHIWAZRQ-DTWKUNHWSA-N 0 1 352.372 1.167 20 5 FDBDMN O=C(NC1(CN2CCN(c3ccccc3)CC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000598296940 552884073 /nfs/dbraw/zinc/88/40/73/552884073.db2.gz RFPCQKBTCFNKPD-UHFFFAOYSA-N 0 1 370.413 1.403 20 5 FDBDMN COC(=O)c1ccnc(N2CCCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000598587086 552911943 /nfs/dbraw/zinc/91/19/43/552911943.db2.gz NOVWTJJTHJTGPP-ZDUSSCGKSA-N 0 1 364.402 1.468 20 5 FDBDMN CCN1C[C@@H](C)N(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000598900106 552941320 /nfs/dbraw/zinc/94/13/20/552941320.db2.gz NBPQHTZBCPQFAK-CHWSQXEVSA-N 0 1 363.418 1.657 20 5 FDBDMN CCC1(N2CCOCC2)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000599183383 552979994 /nfs/dbraw/zinc/97/99/94/552979994.db2.gz LQFWUENLYSXMOL-UHFFFAOYSA-N 0 1 360.418 1.719 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCN(c3ccccc3)C2)n1 ZINC000599218389 552990399 /nfs/dbraw/zinc/99/03/99/552990399.db2.gz NJBCVFWNIRZBLX-LBPRGKRZSA-N 0 1 365.415 1.133 20 5 FDBDMN C[C@@H]1Cc2ccccc2N1CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599225372 552993019 /nfs/dbraw/zinc/99/30/19/552993019.db2.gz MAZWAEGNAJFVRB-LLVKDONJSA-N 0 1 365.415 1.058 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cccc(OC(C)(C)C)n2)n1 ZINC000599270261 553010048 /nfs/dbraw/zinc/01/00/48/553010048.db2.gz FDLVCILXXXKBCF-UHFFFAOYSA-N 0 1 369.403 1.379 20 5 FDBDMN CCCCCn1cc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c(C)n1 ZINC000599270592 553010326 /nfs/dbraw/zinc/01/03/26/553010326.db2.gz OXHPAXVGQICRFZ-UHFFFAOYSA-N 0 1 370.435 1.502 20 5 FDBDMN Cc1cccc(OCCCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1C ZINC000599291793 553017019 /nfs/dbraw/zinc/01/70/19/553017019.db2.gz RBUDMKIJBLITCE-UHFFFAOYSA-N 0 1 368.415 1.693 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCCC(F)(F)C2)n1 ZINC000599320031 553025934 /nfs/dbraw/zinc/02/59/34/553025934.db2.gz QBECVBAOFZCEET-SECBINFHSA-N 0 1 352.363 1.822 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)n1 ZINC000599346927 553033202 /nfs/dbraw/zinc/03/32/02/553033202.db2.gz OGKJHGNMYDMIAU-GXSJLCMTSA-N 0 1 356.791 1.816 20 5 FDBDMN CN(C(=O)CN1CCC(N2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000599472481 553067573 /nfs/dbraw/zinc/06/75/73/553067573.db2.gz HIMKBDACPDCKGU-UHFFFAOYSA-N 0 1 362.430 1.354 20 5 FDBDMN COc1ccc(OCCN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c([N+](=O)[O-])c1 ZINC000599632416 553108449 /nfs/dbraw/zinc/10/84/49/553108449.db2.gz LIHJJELHIRQNSW-CDEUHXGRSA-N 0 1 354.428 1.968 20 5 FDBDMN COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600436507 553267354 /nfs/dbraw/zinc/26/73/54/553267354.db2.gz NBSXMTQOTZHOFT-YGRLFVJLSA-N 0 1 352.343 1.389 20 5 FDBDMN O=C(NCCN1CC[C@@H](O)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600531225 553281085 /nfs/dbraw/zinc/28/10/85/553281085.db2.gz FVFGOIJRVDIJIQ-CYBMUJFWSA-N 0 1 362.411 1.515 20 5 FDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000600697749 553303306 /nfs/dbraw/zinc/30/33/06/553303306.db2.gz AMOWOUPLIRPTGV-GMXVVIOVSA-N 0 1 365.386 1.973 20 5 FDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000600697749 553303308 /nfs/dbraw/zinc/30/33/08/553303308.db2.gz AMOWOUPLIRPTGV-GMXVVIOVSA-N 0 1 365.386 1.973 20 5 FDBDMN COC[C@@]1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCO1 ZINC000600809320 553317282 /nfs/dbraw/zinc/31/72/82/553317282.db2.gz OYJGVGDFIHOEON-QGZVFWFLSA-N 0 1 360.370 1.862 20 5 FDBDMN Cc1nn(CCC(=O)N2CCN(C)[C@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000603144487 553715094 /nfs/dbraw/zinc/71/50/94/553715094.db2.gz ZGLDTLCUYBDPJN-AWEZNQCLSA-N 0 1 351.451 1.987 20 5 FDBDMN COc1cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000603424524 553785099 /nfs/dbraw/zinc/78/50/99/553785099.db2.gz ZWUOCAZVZMCFFK-MRXNPFEDSA-N 0 1 364.446 1.812 20 5 FDBDMN Cc1nn(CCC(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000609044899 554335017 /nfs/dbraw/zinc/33/50/17/554335017.db2.gz RZGVPFIZWQLVCJ-CQSZACIVSA-N 0 1 370.373 1.217 20 5 FDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000609232996 554351262 /nfs/dbraw/zinc/35/12/62/554351262.db2.gz LFALKZVLJFGSFR-UHFFFAOYSA-N 0 1 373.348 1.730 20 5 FDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000609232996 554351265 /nfs/dbraw/zinc/35/12/65/554351265.db2.gz LFALKZVLJFGSFR-UHFFFAOYSA-N 0 1 373.348 1.730 20 5 FDBDMN COCCN1CCC[C@H](NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000609268774 554353752 /nfs/dbraw/zinc/35/37/52/554353752.db2.gz AUCOIOHTRLFYDL-LBPRGKRZSA-N 0 1 367.402 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373.431 1.549 20 5 FDBDMN CC(C)C[N@@H+](C)CCCNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593315756 552088366 /nfs/dbraw/zinc/08/83/66/552088366.db2.gz LHQMVFYTBVKVIW-UHFFFAOYSA-N 0 1 373.431 1.549 20 5 FDBDMN C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1 ZINC000593748143 552189577 /nfs/dbraw/zinc/18/95/77/552189577.db2.gz GHIYQMAJCJKLIN-RISCZKNCSA-N 0 1 356.400 1.554 20 5 FDBDMN C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1 ZINC000593748143 552189579 /nfs/dbraw/zinc/18/95/79/552189579.db2.gz GHIYQMAJCJKLIN-RISCZKNCSA-N 0 1 356.400 1.554 20 5 FDBDMN COc1cc(CCNC(=O)[C@@H](C)Cc2cnc[nH]2)c([N+](=O)[O-])cc1OC ZINC000594215097 552265629 /nfs/dbraw/zinc/26/56/29/552265629.db2.gz PXBIAAKIWHYGOS-NSHDSACASA-N 0 1 362.386 1.873 20 5 FDBDMN C[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)N1CC(C)C1 ZINC000594364657 552296574 /nfs/dbraw/zinc/29/65/74/552296574.db2.gz FAIHEDNWSHTNOB-AWEZNQCLSA-N 0 1 360.414 1.219 20 5 FDBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594473412 552318947 /nfs/dbraw/zinc/31/89/47/552318947.db2.gz DYYABVZUAWZYCT-NSHDSACASA-N 0 1 367.387 1.351 20 5 FDBDMN O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2n[nH]c([C@H]3CCCO3)n2)cc1 ZINC000594474270 552319435 /nfs/dbraw/zinc/31/94/35/552319435.db2.gz RWNOKQSDKIUUGW-GFCCVEGCSA-N 0 1 367.387 1.184 20 5 FDBDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594482547 552322528 /nfs/dbraw/zinc/32/25/28/552322528.db2.gz BLQCXKLFDXTUHJ-STQMWFEESA-N 0 1 369.443 1.899 20 5 FDBDMN Cn1c2cc(NCc3n[nH]c([C@@H]4CCCO4)n3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000594589095 552338495 /nfs/dbraw/zinc/33/84/95/552338495.db2.gz HVNCVQXQOYOOBZ-ZDUSSCGKSA-N 0 1 373.373 1.367 20 5 FDBDMN O=C1CCCCCN1CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594742091 552368428 /nfs/dbraw/zinc/36/84/28/552368428.db2.gz JEYNLMGDNKXFSU-UHFFFAOYSA-N 0 1 356.404 1.061 20 5 FDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000594752655 552371043 /nfs/dbraw/zinc/37/10/43/552371043.db2.gz ANIGXEFRCUCBFP-ZDUSSCGKSA-N 0 1 362.411 1.937 20 5 FDBDMN CC(C)[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccnn1C ZINC000594781622 552382658 /nfs/dbraw/zinc/38/26/58/552382658.db2.gz VVTWIUCDXMZPDL-NSHDSACASA-N 0 1 353.404 1.441 20 5 FDBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000594801636 552390552 /nfs/dbraw/zinc/39/05/52/552390552.db2.gz QJEURHIFSLFTCL-LLVKDONJSA-N 0 1 357.432 1.755 20 5 FDBDMN O=C1CCCN1C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000595834107 552621954 /nfs/dbraw/zinc/62/19/54/552621954.db2.gz YKHIINPJCLUZGV-CYBMUJFWSA-N 0 1 361.398 1.906 20 5 FDBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595885678 552628725 /nfs/dbraw/zinc/62/87/25/552628725.db2.gz RRWWWICYCNUPMO-CXAGYDPISA-N 0 1 350.371 1.915 20 5 FDBDMN COc1cc(CN2CC[C@@H](Nc3ccc(N)c([N+](=O)[O-])n3)C2)cc(OC)c1 ZINC000596161068 552661050 /nfs/dbraw/zinc/66/10/50/552661050.db2.gz BEGPBPVFQALRPQ-CYBMUJFWSA-N 0 1 373.413 2.276 20 5 FDBDMN CN1CCN(Cc2ccccc2)[C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596551349 552688278 /nfs/dbraw/zinc/68/82/78/552688278.db2.gz IOWPMTNZHDFKEE-HNNXBMFYSA-N 0 1 356.430 1.800 20 5 FDBDMN Cc1nc(NC[C@H]2CN(C)CCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596552141 552688343 /nfs/dbraw/zinc/68/83/43/552688343.db2.gz REIVTLPIBIPDLF-KRWDZBQOSA-N 0 1 355.442 2.526 20 5 FDBDMN Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccc(N3CCN(C)CC3)cn2)no1 ZINC000596604507 552693608 /nfs/dbraw/zinc/69/36/08/552693608.db2.gz CEKWLOUWBUZZRR-UHFFFAOYSA-N 0 1 370.373 1.192 20 5 FDBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CN2CCN1CCC2 ZINC000597627045 552814153 /nfs/dbraw/zinc/81/41/53/552814153.db2.gz XDKITUCUOWJCKM-INIZCTEOSA-N 0 1 357.414 1.056 20 5 FDBDMN C[NH+]1CCN(CC2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000597694169 552823320 /nfs/dbraw/zinc/82/33/20/552823320.db2.gz JGTIGRLLPOQUPF-UHFFFAOYSA-N 0 1 368.821 1.273 20 5 FDBDMN Cc1ccc(S(=O)(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598609694 552915272 /nfs/dbraw/zinc/91/52/72/552915272.db2.gz UPNPBSBZLNULMP-RISCZKNCSA-N 0 1 353.444 1.973 20 5 FDBDMN Cc1cc(C[C@H](C)NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000598898189 552941125 /nfs/dbraw/zinc/94/11/25/552941125.db2.gz CXQULOVUMZIBDU-JTQLQIEISA-N 0 1 360.374 1.495 20 5 FDBDMN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000598900838 552941593 /nfs/dbraw/zinc/94/15/93/552941593.db2.gz WMMOBGXYHSQCJP-CYBMUJFWSA-N 0 1 358.358 1.633 20 5 FDBDMN Cc1cc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccn1 ZINC000598965573 552952128 /nfs/dbraw/zinc/95/21/28/552952128.db2.gz ZLIBUZHMZOWPSY-UHFFFAOYSA-N 0 1 350.400 1.366 20 5 FDBDMN CN1C2(CCC2)COC[C@@]1(CO)CNCc1ccc([N+](=O)[O-])cc1F ZINC000598989980 552954640 /nfs/dbraw/zinc/95/46/40/552954640.db2.gz DPCNMHJKUCMTFO-KRWDZBQOSA-N 0 1 353.394 1.439 20 5 FDBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC1CN(S(=O)(=O)N(C)C)C1 ZINC000599017418 552958603 /nfs/dbraw/zinc/95/86/03/552958603.db2.gz XKJNXFMOQPTEJR-GHXNOFRVSA-N 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ZINC000599256220 553004618 /nfs/dbraw/zinc/00/46/18/553004618.db2.gz WYGGTKAXCGFFNF-PKFCDNJMSA-N 0 1 366.399 1.560 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCOc3cc(F)ccc32)n1 ZINC000599272479 553011114 /nfs/dbraw/zinc/01/11/14/553011114.db2.gz NZFYFYOLGUCTTR-LLVKDONJSA-N 0 1 370.362 1.660 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](c2ccccc2)C(C)(C)CO)n1 ZINC000599291359 553017370 /nfs/dbraw/zinc/01/73/70/553017370.db2.gz LZQSOTKIMMZMRH-CYBMUJFWSA-N 0 1 368.415 1.366 20 5 FDBDMN COC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599298817 553019727 /nfs/dbraw/zinc/01/97/27/553019727.db2.gz ZKULFTCSQGMWRK-NSHDSACASA-N 0 1 374.419 1.119 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(c3ccccc3F)CCC2)n1 ZINC000599339632 553031891 /nfs/dbraw/zinc/03/18/91/553031891.db2.gz HLRKNLPXTPUPFZ-UHFFFAOYSA-N 0 1 354.363 1.825 20 5 FDBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000599392577 553043653 /nfs/dbraw/zinc/04/36/53/553043653.db2.gz WLZAXCZDYRFVEC-CYBMUJFWSA-N 0 1 354.432 1.675 20 5 FDBDMN O=c1ccc([C@H]2CCCN2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000599641365 553111220 /nfs/dbraw/zinc/11/12/20/553111220.db2.gz NVGVZQPQBCHLQP-CZUORRHYSA-N 0 1 360.370 1.667 20 5 FDBDMN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599939291 553179522 /nfs/dbraw/zinc/17/95/22/553179522.db2.gz VFSKYEVWAAUQHM-HOTGVXAUSA-N 0 1 371.397 1.062 20 5 FDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000600704789 553304998 /nfs/dbraw/zinc/30/49/98/553304998.db2.gz VFQIUGHSNYZZLX-DGCLKSJQSA-N 0 1 365.386 1.975 20 5 FDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000600708795 553305663 /nfs/dbraw/zinc/30/56/63/553305663.db2.gz OEHAKAABNXFMDU-INIZCTEOSA-N 0 1 351.359 1.871 20 5 FDBDMN CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000600839089 553321093 /nfs/dbraw/zinc/32/10/93/553321093.db2.gz URNWBUJDGYQDPB-UHFFFAOYSA-N 0 1 364.402 1.412 20 5 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XXYDZWXOJJQGRZ-RKDXNWHRSA-N 0 1 358.807 1.136 20 5 FDBDMN Cc1nc2cccc(C(=O)N3CCCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC3)c2[nH]1 ZINC000941012957 893634836 /nfs/dbraw/zinc/63/48/36/893634836.db2.gz UJOTYLOVDQWZPA-UKRRQHHQSA-N 0 1 371.397 1.211 20 5 FDBDMN O=C(c1cc2c(o1)CCCC2)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941012923 893635095 /nfs/dbraw/zinc/63/50/95/893635095.db2.gz SRRHBFJYORRELI-ZIAGYGMSSA-N 0 1 361.398 1.498 20 5 FDBDMN O=C(NC1CCN(Cc2ccn(-c3ccccc3)n2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002787288 893952743 /nfs/dbraw/zinc/95/27/43/893952743.db2.gz IPLUIWBUECPKJS-QZTJIDSGSA-N 0 1 369.425 1.618 20 5 FDBDMN CCC(CC)n1ccc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001002788879 893960169 /nfs/dbraw/zinc/96/01/69/893960169.db2.gz QAJYQBUUYNYSII-IAGOWNOFSA-N 0 1 363.462 1.990 20 5 FDBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc2cccc(Cl)c2o1 ZINC000995303596 898222279 /nfs/dbraw/zinc/22/22/79/898222279.db2.gz RWQZRUBTVWMTOI-ZYHUDNBSSA-N 0 1 363.757 1.692 20 5 FDBDMN Cc1ccccc1CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000943698851 899192282 /nfs/dbraw/zinc/19/22/82/899192282.db2.gz IMQYYWDGZORWHB-QBPKDAKJSA-N 0 1 359.426 1.746 20 5 FDBDMN Cc1ccncc1CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000943698751 899192466 /nfs/dbraw/zinc/19/24/66/899192466.db2.gz BNXUZLSZIRLVCA-KLHDSHLOSA-N 0 1 360.414 1.141 20 5 FDBDMN O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccnn1C(F)F ZINC000943699341 899195415 /nfs/dbraw/zinc/19/54/15/899195415.db2.gz DQTSXLPABGRYRS-DNRKLUKYSA-N 0 1 371.344 1.101 20 5 FDBDMN O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1occc1Cl ZINC000943699323 899195808 /nfs/dbraw/zinc/19/58/08/899195808.db2.gz CMFPPQQMQFFCJR-DNRKLUKYSA-N 0 1 355.778 1.755 20 5 FDBDMN O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cnn2ccccc12 ZINC000943699966 899199021 /nfs/dbraw/zinc/19/90/21/899199021.db2.gz UDHQOGYDKHAOQS-BRXULGCHSA-N 0 1 371.397 1.157 20 5 FDBDMN O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ncc2ccccn21 ZINC000943700153 899200276 /nfs/dbraw/zinc/20/02/76/899200276.db2.gz ZXMGYXYMPKHIBI-QHSBEEBCSA-N 0 1 371.397 1.157 20 5 FDBDMN O=C(Cc1cccc2ncccc12)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001806227 899353893 /nfs/dbraw/zinc/35/38/93/899353893.db2.gz UAGCQBOBKJKQQB-NVXWUHKLSA-N 0 1 368.393 1.017 20 5 FDBDMN O=C(Cc1cccc(C(F)F)c1)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001806293 899355473 /nfs/dbraw/zinc/35/54/73/899355473.db2.gz VTBBARZXPGWGGL-ZIAGYGMSSA-N 0 1 367.352 1.407 20 5 FDBDMN Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(Cl)c1C ZINC001001806897 899357226 /nfs/dbraw/zinc/35/72/26/899357226.db2.gz NUWZLNSDGCOPAV-ZIAGYGMSSA-N 0 1 365.817 1.810 20 5 FDBDMN Cc1cc(C)c(C(=O)NCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)[nH]1 ZINC000943788496 899389613 /nfs/dbraw/zinc/38/96/13/899389613.db2.gz QZPGSKITSNLFNN-HZPDHXFCSA-N 0 1 370.409 1.843 20 5 FDBDMN O=C(NCC1CN(C(=O)c2cccc3ncccc32)C1)[C@@H]1CC1[N+](=O)[O-] 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COc1ccsc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063851293 901165918 /nfs/dbraw/zinc/16/59/18/901165918.db2.gz MOXKSUVNZIUTQT-NXEZZACHSA-N 0 1 353.400 1.191 20 5 FDBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccc2ccncc2c1 ZINC001064514516 901348755 /nfs/dbraw/zinc/34/87/55/901348755.db2.gz WZEGGQOFXUCBHJ-HZPDHXFCSA-N 0 1 368.393 1.669 20 5 FDBDMN Cc1ccc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)c(F)c1F ZINC001064661414 901546353 /nfs/dbraw/zinc/54/63/53/901546353.db2.gz BBNOFKMGAANHSC-VXGBXAGGSA-N 0 1 367.352 1.707 20 5 FDBDMN CC1(C)CC(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC(C)(C)C1 ZINC000996553606 904064076 /nfs/dbraw/zinc/06/40/76/904064076.db2.gz KXKMMXAKPRKZSJ-ZIAGYGMSSA-N 0 1 351.447 1.831 20 5 FDBDMN CCN(C(=O)CC(C)(C)C(F)(F)F)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080245682 904998368 /nfs/dbraw/zinc/99/83/68/904998368.db2.gz ZPJZEVJCMKTPIO-GHMZBOCLSA-N 0 1 365.352 1.690 20 5 FDBDMN CCN(C(=O)CCCc1ccccc1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 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RYZGCYCVAGWWHK-JTQLQIEISA-N 0 1 365.371 1.165 20 5 FDBDMN O=C(OCCc1cnn[nH]1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000735299437 924222585 /nfs/dbraw/zinc/22/25/85/924222585.db2.gz RYZGCYCVAGWWHK-JTQLQIEISA-N 0 1 365.371 1.165 20 5 FDBDMN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@H](c2nn[nH]n2)C1 ZINC000742650477 926112366 /nfs/dbraw/zinc/11/23/66/926112366.db2.gz PRIRJDSRMMGXJM-JTQLQIEISA-N 0 1 372.263 1.340 20 5 FDBDMN Cn1ccc(N2CCC[C@@H](NC[C@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)n1 ZINC000743463607 926368172 /nfs/dbraw/zinc/36/81/72/926368172.db2.gz LGQPATRGNVMGNY-CABCVRRESA-N 0 1 359.386 1.147 20 5 FDBDMN CCOC(=O)c1csc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169033644 928231157 /nfs/dbraw/zinc/23/11/57/928231157.db2.gz CUYATNDGTTYFLI-CHWSQXEVSA-N 0 1 368.459 1.887 20 5 FDBDMN CCc1[nH]nc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1[N+](=O)[O-] ZINC000772583968 931358798 /nfs/dbraw/zinc/35/87/98/931358798.db2.gz YAXAZYZGMDMMPA-AWEZNQCLSA-N 0 1 362.390 1.200 20 5 FDBDMN O=C(c1nnc2ccccc2c1O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787593374 932327338 /nfs/dbraw/zinc/32/73/38/932327338.db2.gz NQCUNLVASPWFJK-UHFFFAOYSA-N 0 1 368.353 1.917 20 5 FDBDMN CN(Cc1ccccc1[N+](=O)[O-])CN1C[C@]2(CN3CCC2CC3)OC1=O ZINC000790365408 933511687 /nfs/dbraw/zinc/51/16/87/933511687.db2.gz GOMFIWKKRODKIF-SFHVURJKSA-N 0 1 360.414 1.901 20 5 FDBDMN Cc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n[nH]1 ZINC000790851535 933751381 /nfs/dbraw/zinc/75/13/81/933751381.db2.gz FZRQXQFBNXAFBP-UHFFFAOYSA-N 0 1 369.359 1.630 20 5 FDBDMN COC(=O)[C@H]1CN(C)CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000822631456 945142539 /nfs/dbraw/zinc/14/25/39/945142539.db2.gz YAWTXZMYDJRICE-ZDUSSCGKSA-N 0 1 367.377 1.230 20 5 FDBDMN Cn1ccnc1[C@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC001129648225 938481975 /nfs/dbraw/zinc/48/19/75/938481975.db2.gz RDKREGKPTXMSNH-QMTHXVAHSA-N 0 1 370.369 1.855 20 5 FDBDMN COC(=O)N1CCC(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000804689163 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20 5 FDBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCN(C[C@@H]2CCOC2)CC1 ZINC000593508253 552119503 /nfs/dbraw/zinc/11/95/03/552119503.db2.gz QYHWMIQVDQXZML-ZDUSSCGKSA-N 0 1 351.378 1.457 20 5 FDBDMN COCCOCCN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000593516860 552121051 /nfs/dbraw/zinc/12/10/51/552121051.db2.gz HVYOPUSUHVXCJH-UHFFFAOYSA-N 0 1 360.414 1.928 20 5 FDBDMN C[C@@H](C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)N1CC(C)C1 ZINC000594347807 552293579 /nfs/dbraw/zinc/29/35/79/552293579.db2.gz VXWSXCYCYVWEIQ-ZDUSSCGKSA-N 0 1 372.429 1.796 20 5 FDBDMN COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000594382499 552300031 /nfs/dbraw/zinc/30/00/31/552300031.db2.gz WRJLAXBLMGBFBW-LLVKDONJSA-N 0 1 352.265 1.312 20 5 FDBDMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000594385770 552300463 /nfs/dbraw/zinc/30/04/63/552300463.db2.gz OGQDEUYMLCKCBP-GFCCVEGCSA-N 0 1 356.342 1.976 20 5 FDBDMN Cc1cc(OCC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)ccc1[N+](=O)[O-] ZINC000594387897 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0 1 364.421 1.518 20 5 FDBDMN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000597682748 552821534 /nfs/dbraw/zinc/82/15/34/552821534.db2.gz ROKLVSHVBDOBKP-UHFFFAOYSA-N 0 1 355.778 1.358 20 5 FDBDMN CC(C)c1[nH]nc(C(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000597721636 552826421 /nfs/dbraw/zinc/82/64/21/552826421.db2.gz HMVRRXJWCQWEKS-JTQLQIEISA-N 0 1 356.404 1.091 20 5 FDBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000598171986 552871881 /nfs/dbraw/zinc/87/18/81/552871881.db2.gz KCTGGDTZYSASMJ-GXTWGEPZSA-N 0 1 369.381 1.726 20 5 FDBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000598171990 552871923 /nfs/dbraw/zinc/87/19/23/552871923.db2.gz KCTGGDTZYSASMJ-OCCSQVGLSA-N 0 1 369.381 1.726 20 5 FDBDMN O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000598367337 552889102 /nfs/dbraw/zinc/88/91/02/552889102.db2.gz VHJKDOPTBBJEOD-HZPDHXFCSA-N 0 1 361.398 1.674 20 5 FDBDMN 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O=C([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000579014568 550826458 /nfs/dbraw/zinc/82/64/58/550826458.db2.gz ZVSGBRYZJVEHEU-GXTWGEPZSA-N 0 1 369.399 1.198 20 5 FDBDMN O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000579014573 550826462 /nfs/dbraw/zinc/82/64/62/550826462.db2.gz ZVSGBRYZJVEHEU-TZMCWYRMSA-N 0 1 369.399 1.198 20 5 FDBDMN O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000579267592 550854312 /nfs/dbraw/zinc/85/43/12/550854312.db2.gz RGUXDKZQSMYURW-UHFFFAOYSA-N 0 1 366.733 1.701 20 5 FDBDMN CN1CCCC(C)(C)[C@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000582825398 551270925 /nfs/dbraw/zinc/27/09/25/551270925.db2.gz BBJDVKKGYCBPKG-CYBMUJFWSA-N 0 1 356.448 1.775 20 5 FDBDMN C[C@H](NC(=O)N1CCN(CCO)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000588288121 551664275 /nfs/dbraw/zinc/66/42/75/551664275.db2.gz RTBGXKBFNJQDJU-ZDUSSCGKSA-N 0 1 350.419 1.754 20 5 FDBDMN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN2CCCC2)cc1SC ZINC000588867075 551695129 /nfs/dbraw/zinc/69/51/29/551695129.db2.gz IKDMGOHYFNRXPE-LLVKDONJSA-N 0 1 369.443 1.512 20 5 FDBDMN CN(C)CCNS(=O)(=O)c1ccc(N2CCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000589598466 551737353 /nfs/dbraw/zinc/73/73/53/551737353.db2.gz QQMCKOLOZCZIMP-GFCCVEGCSA-N 0 1 374.438 1.373 20 5 FDBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CN3CCN2CCC3)c1 ZINC000590541972 551790104 /nfs/dbraw/zinc/79/01/04/551790104.db2.gz PSGPCVGKUHMNBX-OAHLLOKOSA-N 0 1 362.430 1.178 20 5 FDBDMN COC(=O)c1ccnc(NCCCN2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000590570041 551793334 /nfs/dbraw/zinc/79/33/34/551793334.db2.gz PZSUQHCGXTUBSC-RYUDHWBXSA-N 0 1 352.391 1.688 20 5 FDBDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000591330430 551862833 /nfs/dbraw/zinc/86/28/33/551862833.db2.gz SNQWTJJSFSREDK-UHFFFAOYSA-N 0 1 369.403 1.498 20 5 FDBDMN C[C@H]1C[C@H](Nc2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CO1 ZINC000591996195 551924654 /nfs/dbraw/zinc/92/46/54/551924654.db2.gz RIKDEHFGGXMZQX-RYUDHWBXSA-N 0 1 372.447 1.024 20 5 FDBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592396098 551988984 /nfs/dbraw/zinc/98/89/84/551988984.db2.gz FVUHUOWHACJLKS-VHSXEESVSA-N 0 1 365.342 1.447 20 5 FDBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592396098 551988986 /nfs/dbraw/zinc/98/89/86/551988986.db2.gz FVUHUOWHACJLKS-VHSXEESVSA-N 0 1 365.342 1.447 20 5 FDBDMN COC(=O)[C@@H]1CNCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000592548080 552006874 /nfs/dbraw/zinc/00/68/74/552006874.db2.gz MOIPOEAYMVOIPL-LBPRGKRZSA-N 0 1 363.395 1.787 20 5 FDBDMN CCc1[nH]nc(C(=O)N2CC[C@@](C(=O)NC)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000592904037 552041408 /nfs/dbraw/zinc/04/14/08/552041408.db2.gz ZIIZYHXDISEAGF-GFCCVEGCSA-N 0 1 363.296 1.021 20 5 FDBDMN COC(=O)[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C1CC1 ZINC000593131531 552065925 /nfs/dbraw/zinc/06/59/25/552065925.db2.gz NOQPHLKWAYVLLC-JKSUJKDBSA-N 0 1 373.409 1.615 20 5 FDBDMN C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000593227168 552074942 /nfs/dbraw/zinc/07/49/42/552074942.db2.gz RIUYNHYBEFQBRC-QLFBSQMISA-N 0 1 372.429 1.696 20 5 FDBDMN CC[C@H](C)N[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000593599396 552148100 /nfs/dbraw/zinc/14/81/00/552148100.db2.gz TVALTXHVPBSJNM-AAEUAGOBSA-N 0 1 368.415 1.991 20 5 FDBDMN O=C([O-])C[C@@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593745983 552189306 /nfs/dbraw/zinc/18/93/06/552189306.db2.gz GBFFZINIBIHPFX-VXGBXAGGSA-N 0 1 356.400 1.227 20 5 FDBDMN CC(C)Oc1cc(C(=O)N2CCN(Cc3nnc[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000593857127 552210974 /nfs/dbraw/zinc/21/09/74/552210974.db2.gz SZRINBTZAPMKKK-UHFFFAOYSA-N 0 1 374.401 1.458 20 5 FDBDMN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000593858533 552211369 /nfs/dbraw/zinc/21/13/69/552211369.db2.gz IRNNDRYEGNDADC-UHFFFAOYSA-N 0 1 371.401 1.245 20 5 FDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000593946760 552232105 /nfs/dbraw/zinc/23/21/05/552232105.db2.gz KILWKBZGGSDNKI-SDDRHHMPSA-N 0 1 352.391 1.906 20 5 FDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000593946760 552232107 /nfs/dbraw/zinc/23/21/07/552232107.db2.gz KILWKBZGGSDNKI-SDDRHHMPSA-N 0 1 352.391 1.906 20 5 FDBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3CCCC[C@]3(C(=O)OC)C2)c1[N+](=O)[O-] ZINC000594379424 552298935 /nfs/dbraw/zinc/29/89/35/552298935.db2.gz GJQHCTQMQSQJJM-QFYYESIMSA-N 0 1 350.375 1.686 20 5 FDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)c(F)c1 ZINC000594473803 552319656 /nfs/dbraw/zinc/31/96/56/552319656.db2.gz NYDPJHSPIGSVLT-JTQLQIEISA-N 0 1 371.350 1.182 20 5 FDBDMN C[C@@]12COC[C@]1(C)CN([C@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000594660131 552350384 /nfs/dbraw/zinc/35/03/84/552350384.db2.gz KVDFFSVRLZNFMR-JCGIZDLHSA-N 0 1 359.382 1.585 20 5 FDBDMN C[C@@H]1CN(C(C)(C)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000594741665 552367863 /nfs/dbraw/zinc/36/78/63/552367863.db2.gz DPLJKKIIRJCVEH-TXEJJXNPSA-N 0 1 372.447 1.156 20 5 FDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000594744469 552368884 /nfs/dbraw/zinc/36/88/84/552368884.db2.gz LOFYUPNQQCYLFD-ZDUSSCGKSA-N 0 1 366.399 1.698 20 5 FDBDMN CN1CCC(NS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000594745001 552368966 /nfs/dbraw/zinc/36/89/66/552368966.db2.gz QXJDXCQDYZNSBP-UHFFFAOYSA-N 0 1 350.400 1.516 20 5 FDBDMN COc1cccc2c1OCC[C@@H]2NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753568 552370950 /nfs/dbraw/zinc/37/09/50/552370950.db2.gz SXDNODNKKWLSBZ-NSHDSACASA-N 0 1 365.367 1.801 20 5 FDBDMN C[C@@H](O)C[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000594759516 552373582 /nfs/dbraw/zinc/37/35/82/552373582.db2.gz LLYVAUWSNIUISY-OCCSQVGLSA-N 0 1 365.411 1.823 20 5 FDBDMN CN1CC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000594765566 552376296 /nfs/dbraw/zinc/37/62/96/552376296.db2.gz IYSWTYRSBUSLIL-HIFRSBDPSA-N 0 1 362.411 1.714 20 5 FDBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000595024577 552439157 /nfs/dbraw/zinc/43/91/57/552439157.db2.gz AYBRCHKOBGAYHQ-LNSITVRQSA-N 0 1 351.403 1.890 20 5 FDBDMN CCCN1CC[C@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000595354083 552534471 /nfs/dbraw/zinc/53/44/71/552534471.db2.gz MTNUSYUDAFCYTE-NSHDSACASA-N 0 1 371.415 1.129 20 5 FDBDMN CCc1nc([C@@H](C)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000595377255 552541104 /nfs/dbraw/zinc/54/11/04/552541104.db2.gz NWKLJYHLDAWQKI-GFCCVEGCSA-N 0 1 358.402 1.794 20 5 FDBDMN Cc1c(NC(=O)[C@@H](C)N2CC[C@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000595607278 552591706 /nfs/dbraw/zinc/59/17/06/552591706.db2.gz KKWKHLBLSSHUEH-KGLIPLIRSA-N 0 1 358.402 1.844 20 5 FDBDMN CN(C)C(=O)[C@H]1CCCN1CCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596110834 552656337 /nfs/dbraw/zinc/65/63/37/552656337.db2.gz ULGMOUBYWLXMTK-GFCCVEGCSA-N 0 1 355.826 1.420 20 5 FDBDMN CCc1cc(NCc2n[nH]c(COC)n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596436526 552679349 /nfs/dbraw/zinc/67/93/49/552679349.db2.gz OTHAAPBNGIOUND-UHFFFAOYSA-N 0 1 369.385 1.913 20 5 FDBDMN COC(=O)COc1ccc(CN2CCC[C@@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597207459 552760628 /nfs/dbraw/zinc/76/06/28/552760628.db2.gz XTOLPSRKZSZFHA-SFHVURJKSA-N 0 1 364.398 1.884 20 5 FDBDMN COC(=O)COc1ccc(CN2C[C@@H](C)[C@@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000597235488 552764213 /nfs/dbraw/zinc/76/42/13/552764213.db2.gz HVLFSCRFXXUDFI-SJKOYZFVSA-N 0 1 352.387 1.597 20 5 FDBDMN C[C@@H](C(=O)NC[C@H]1CN2CCN1CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000597624988 552814020 /nfs/dbraw/zinc/81/40/20/552814020.db2.gz NGQPNBCNVQUBMD-OCCSQVGLSA-N 0 1 350.394 1.344 20 5 FDBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCN1CCC2 ZINC000597626571 552814432 /nfs/dbraw/zinc/81/44/32/552814432.db2.gz OPCOYGPEUNFOTO-CQSZACIVSA-N 0 1 350.444 1.193 20 5 FDBDMN COc1cc(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000597679747 552821261 /nfs/dbraw/zinc/82/12/61/552821261.db2.gz SNWRQTWUDPBLBL-ZDUSSCGKSA-N 0 1 363.414 1.929 20 5 FDBDMN COc1cccc(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000597680558 552821271 /nfs/dbraw/zinc/82/12/71/552821271.db2.gz WQXJURUCLZVIPQ-ZDUSSCGKSA-N 0 1 363.414 1.929 20 5 FDBDMN C[C@](CO)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000597843621 552839586 /nfs/dbraw/zinc/83/95/86/552839586.db2.gz VCFNBHFIIJZBQR-CYBMUJFWSA-N 0 1 358.276 1.974 20 5 FDBDMN CN(Cc1cnc[nH]1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000597865109 552842184 /nfs/dbraw/zinc/84/21/84/552842184.db2.gz SGRLTLGWRGEUAN-LLVKDONJSA-N 0 1 363.399 1.643 20 5 FDBDMN COCc1nc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000598053129 552861140 /nfs/dbraw/zinc/86/11/40/552861140.db2.gz BFXDXLMVIDAINI-UHFFFAOYSA-N 0 1 374.401 1.392 20 5 FDBDMN COCc1nnc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000598053129 552861141 /nfs/dbraw/zinc/86/11/41/552861141.db2.gz 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371.397 1.957 20 5 FDBDMN CN1CCCC(C)(C)[C@@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000582825399 551270958 /nfs/dbraw/zinc/27/09/58/551270958.db2.gz BBJDVKKGYCBPKG-ZDUSSCGKSA-N 0 1 356.448 1.775 20 5 FDBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000583222130 551321504 /nfs/dbraw/zinc/32/15/04/551321504.db2.gz BCCXSHMCDDGZTE-UHFFFAOYSA-N 0 1 350.419 1.508 20 5 FDBDMN Cn1nc([N+](=O)[O-])cc1-c1nc(-c2ccccc2N2CCN(C)CC2)no1 ZINC000584197934 551461841 /nfs/dbraw/zinc/46/18/41/551461841.db2.gz IVBGEUCBAZXXLP-UHFFFAOYSA-N 0 1 369.385 1.797 20 5 FDBDMN Cn1c2cc(NCCCCN3CCOCC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000585703527 551584134 /nfs/dbraw/zinc/58/41/34/551584134.db2.gz FPDASGBASRQFBX-UHFFFAOYSA-N 0 1 363.418 1.310 20 5 FDBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1 ZINC000588863656 551694532 /nfs/dbraw/zinc/69/45/32/551694532.db2.gz SNYCLGWMTJHUGD-NWDGAFQWSA-N 0 1 351.428 1.598 20 5 FDBDMN O=C(Nc1n[nH]c2ncnn12)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000590378717 551777237 /nfs/dbraw/zinc/77/72/37/551777237.db2.gz DRUUGUNHSGXJGF-UHFFFAOYSA-N 0 1 371.235 1.554 20 5 FDBDMN Cn1c2cc(NCCN3C[C@H]4CC[C@@H](C3)O4)c([N+](=O)[O-])cc2n(C)c1=O ZINC000590722048 551808288 /nfs/dbraw/zinc/80/82/88/551808288.db2.gz VCNBJHNCQRPOEL-TXEJJXNPSA-N 0 1 361.402 1.060 20 5 FDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCNC(=O)C[C@H]1C ZINC000591022144 551836453 /nfs/dbraw/zinc/83/64/53/551836453.db2.gz XOXTZGUFCBVNJF-LLVKDONJSA-N 0 1 350.375 1.142 20 5 FDBDMN Cn1c2cc(NCc3n[nH]c(C(C)(C)C)n3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000591177597 551849269 /nfs/dbraw/zinc/84/92/69/551849269.db2.gz VIKGGEGZZUHJKX-UHFFFAOYSA-N 0 1 359.390 1.813 20 5 FDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000592975220 552050932 /nfs/dbraw/zinc/05/09/32/552050932.db2.gz SASXQUFDDNACCI-ZDUSSCGKSA-N 0 1 363.418 1.213 20 5 FDBDMN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)N(C)C ZINC000593578827 552142117 /nfs/dbraw/zinc/14/21/17/552142117.db2.gz OMIGEVHTVPNMCF-LRDDRELGSA-N 0 1 364.427 1.960 20 5 FDBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000593815534 552201856 /nfs/dbraw/zinc/20/18/56/552201856.db2.gz MPTBGZLJRVVOHD-HZPDHXFCSA-N 0 1 371.397 1.433 20 5 FDBDMN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2nnc[nH]2)CC1 ZINC000593859080 552211402 /nfs/dbraw/zinc/21/14/02/552211402.db2.gz NQRXAPWJQNHWPV-UHFFFAOYSA-N 0 1 350.766 1.324 20 5 FDBDMN CC(C)c1ccc(C(=O)N2CCN(Cc3nnc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000593858793 552211418 /nfs/dbraw/zinc/21/14/18/552211418.db2.gz LLUDODLOYQJFMK-UHFFFAOYSA-N 0 1 358.402 1.794 20 5 FDBDMN CNc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000594696748 552357317 /nfs/dbraw/zinc/35/73/17/552357317.db2.gz LYVGTYAVZLODNY-YGRLFVJLSA-N 0 1 359.404 1.430 20 5 FDBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cnc(C(F)(F)F)nc2)c1 ZINC000594718854 552362835 /nfs/dbraw/zinc/36/28/35/552362835.db2.gz WHFBDAYLODQGLG-LBPRGKRZSA-N 0 1 372.303 1.933 20 5 FDBDMN Cc1ccc(OCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])c(C)c1 ZINC000594742877 552368407 /nfs/dbraw/zinc/36/84/07/552368407.db2.gz BRBXUANCKQCTAD-UHFFFAOYSA-N 0 1 351.384 1.964 20 5 FDBDMN CC(C)Oc1ncccc1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594747068 552369694 /nfs/dbraw/zinc/36/96/94/552369694.db2.gz BXQKKNSGGMBIJA-UHFFFAOYSA-N 0 1 352.372 1.651 20 5 FDBDMN CC(C)C[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(=O)OC(C)C ZINC000594753067 552371199 /nfs/dbraw/zinc/37/11/99/552371199.db2.gz DSEZBGHLFLCHIM-NSHDSACASA-N 0 1 359.404 1.634 20 5 FDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]CCCCC[NH+]1CCCCC1 ZINC000594753184 552371264 /nfs/dbraw/zinc/37/12/64/552371264.db2.gz HWOHJJOLHBSIEI-UHFFFAOYSA-N 0 1 356.448 1.924 20 5 FDBDMN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594775512 552379937 /nfs/dbraw/zinc/37/99/37/552379937.db2.gz CDCDHUHRHSSMGB-GFCCVEGCSA-N 0 1 354.432 1.485 20 5 FDBDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000594799641 552389360 /nfs/dbraw/zinc/38/93/60/552389360.db2.gz OECGVRKCCKGXMU-LLVKDONJSA-N 0 1 357.432 1.755 20 5 FDBDMN COc1ccc(S(=O)(=O)N[C@@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000594799990 552389475 /nfs/dbraw/zinc/38/94/75/552389475.db2.gz AALCLDVYTXKNMM-LLVKDONJSA-N 0 1 357.432 1.755 20 5 FDBDMN CN(CC1CN(C)C1)C(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595136784 552463819 /nfs/dbraw/zinc/46/38/19/552463819.db2.gz SDVJUCOCXWJDEQ-UHFFFAOYSA-N 0 1 360.414 1.106 20 5 FDBDMN CCc1nc([C@H](C)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000595504950 552574590 /nfs/dbraw/zinc/57/45/90/552574590.db2.gz LBWPNFRHCDOSFL-LBPRGKRZSA-N 0 1 358.402 1.794 20 5 FDBDMN O=C1[C@@H](N2CC[C@@H](Cn3ccnn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595608736 552591960 /nfs/dbraw/zinc/59/19/60/552591960.db2.gz UXROHYHYAMVQGY-CJNGLKHVSA-N 0 1 356.386 1.314 20 5 FDBDMN Cc1nc(CC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000596667738 552699159 /nfs/dbraw/zinc/69/91/59/552699159.db2.gz XENHBHYWEMDQFW-UHFFFAOYSA-N 0 1 372.307 1.811 20 5 FDBDMN COC(=O)COc1ccc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000597203882 552760231 /nfs/dbraw/zinc/76/02/31/552760231.db2.gz AIAYPSJQWVOJCD-PBKGOJFUSA-N 0 1 352.387 1.595 20 5 FDBDMN CN1CC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1SCCO)C2 ZINC000597571316 552806039 /nfs/dbraw/zinc/80/60/39/552806039.db2.gz FPWVIXSDKVBWIL-UHFFFAOYSA-N 0 1 351.428 1.457 20 5 FDBDMN CNc1c(C(=O)N2CCC[C@H](N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000597618659 552812518 /nfs/dbraw/zinc/81/25/18/552812518.db2.gz DFWGHQMPJOLYPT-AWEZNQCLSA-N 0 1 362.430 1.963 20 5 FDBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@H](Cn2ccnn2)C1 ZINC000597896977 552844936 /nfs/dbraw/zinc/84/49/36/552844936.db2.gz UFFNMQIIJGVELW-LBPRGKRZSA-N 0 1 367.369 1.739 20 5 FDBDMN COC[C@]1(C(=O)OC)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000597956467 552850302 /nfs/dbraw/zinc/85/03/02/552850302.db2.gz HNUYLPTUULKTAS-INIZCTEOSA-N 0 1 362.342 1.265 20 5 FDBDMN O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598367095 552888643 /nfs/dbraw/zinc/88/86/43/552888643.db2.gz LOTQPTCVOUHWMF-HZPDHXFCSA-N 0 1 361.398 1.674 20 5 FDBDMN O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598367249 552888814 /nfs/dbraw/zinc/88/88/14/552888814.db2.gz QIRNBZWBMZNGEW-HZPDHXFCSA-N 0 1 361.398 1.674 20 5 FDBDMN Cc1[nH]nc(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000598536802 552906976 /nfs/dbraw/zinc/90/69/76/552906976.db2.gz XLPAVKKVUXXEAS-LBPRGKRZSA-N 0 1 351.407 1.342 20 5 FDBDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000598605488 552914399 /nfs/dbraw/zinc/91/43/99/552914399.db2.gz DZAVOXQHRBBVIV-QWHCGFSZSA-N 0 1 373.500 1.878 20 5 FDBDMN CCN(CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(C)c1 ZINC000599214541 552988475 /nfs/dbraw/zinc/98/84/75/552988475.db2.gz XGTAOZITYZYUFN-UHFFFAOYSA-N 0 1 367.431 1.442 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(OC(C)(C)C)cc2)n1 ZINC000599223046 552992113 /nfs/dbraw/zinc/99/21/13/552992113.db2.gz GTYYDGXBJPLIOX-UHFFFAOYSA-N 0 1 368.415 1.984 20 5 FDBDMN COc1ccc2c(c1)OCC[C@@H]2NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599242175 552999470 /nfs/dbraw/zinc/99/94/70/552999470.db2.gz MRVVYSOZWMISBI-NSHDSACASA-N 0 1 368.371 1.139 20 5 FDBDMN CCO[C@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C12CCCCC2 ZINC000599252811 553003275 /nfs/dbraw/zinc/00/32/75/553003275.db2.gz TXQIRBMDXWMOLZ-STQMWFEESA-N 0 1 372.447 1.735 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000599256090 553004808 /nfs/dbraw/zinc/00/48/08/553004808.db2.gz RMKNNZQAEMLYQE-RKDXNWHRSA-N 0 1 370.353 1.975 20 5 FDBDMN CCC1(CC)[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)[C@@H]1OC ZINC000599271664 553010845 /nfs/dbraw/zinc/01/08/45/553010845.db2.gz ADBAZCVNHWTVSW-JLLWLGSASA-N 0 1 360.436 1.446 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000599328924 553028824 /nfs/dbraw/zinc/02/88/24/553028824.db2.gz XAIMBNFNPBSQLR-NSHDSACASA-N 0 1 369.378 1.025 20 5 FDBDMN COc1cccc([C@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])OC)c1 ZINC000599361378 553036398 /nfs/dbraw/zinc/03/63/98/553036398.db2.gz DLKAFBKHDBXXKX-ZDUSSCGKSA-N 0 1 370.387 1.003 20 5 FDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCN2C2CCCCC2)nc1 ZINC000599391127 553043490 /nfs/dbraw/zinc/04/34/90/553043490.db2.gz MVJYHKWTYKCFOE-ZDUSSCGKSA-N 0 1 354.432 1.675 20 5 FDBDMN CC(=O)NC[C@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000599692371 553123525 /nfs/dbraw/zinc/12/35/25/553123525.db2.gz VOKJWFSOROGEKI-CABCVRRESA-N 0 1 351.403 1.325 20 5 FDBDMN Cc1nn(CCC(=O)N2CCC(N3CCOCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000600105172 553219041 /nfs/dbraw/zinc/21/90/41/553219041.db2.gz IKJYZMLUPVCGCB-UHFFFAOYSA-N 0 1 365.434 1.121 20 5 FDBDMN CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000600701522 553304185 /nfs/dbraw/zinc/30/41/85/553304185.db2.gz KTFCNNOUGVCHOK-WCQYABFASA-N 0 1 365.386 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CN1CCN(c2ccc(CNC(=O)c3c(F)cccc3[N+](=O)[O-])cn2)CC1 ZINC000600982114 553334975 /nfs/dbraw/zinc/33/49/75/553334975.db2.gz OBOPAJIUSOMHTQ-UHFFFAOYSA-N 0 1 373.388 1.811 20 5 FDBDMN C[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)N1CCN(C)CC1 ZINC000601111511 553348422 /nfs/dbraw/zinc/34/84/22/553348422.db2.gz VHMOZNLFGSRVSW-VIFPVBQESA-N 0 1 350.345 1.395 20 5 FDBDMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601131505 553350823 /nfs/dbraw/zinc/35/08/23/553350823.db2.gz ZLYORSCOTRWNDD-GOSISDBHSA-N 0 1 369.425 1.886 20 5 FDBDMN CN(CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000601776855 553473940 /nfs/dbraw/zinc/47/39/40/553473940.db2.gz JIIIBFGHZUJWTO-ZBFHGGJFSA-N 0 1 353.444 1.356 20 5 FDBDMN O=[N+]([O-])c1sc(CNCCN2CC[C@@H](O)C2)cc1Br ZINC000602723667 553627888 /nfs/dbraw/zinc/62/78/88/553627888.db2.gz HKZYRYDOXIEJKY-MRVPVSSYSA-N 0 1 350.238 1.575 20 5 FDBDMN O=C(CN1CCC[C@H](n2ccnn2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602892358 553662532 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O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000760548703 842265742 /nfs/dbraw/zinc/26/57/42/842265742.db2.gz FGBKKOFLCSHLFM-UHFFFAOYSA-N 0 1 359.367 1.858 20 5 FDBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000913099559 861412793 /nfs/dbraw/zinc/41/27/93/861412793.db2.gz NBOKVAYFOVRZHT-HIFRSBDPSA-N 0 1 357.414 1.969 20 5 FDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCn2c(Cc3ccccc3Cl)nnc2C1 ZINC000899553807 846407526 /nfs/dbraw/zinc/40/75/26/846407526.db2.gz NQSFAEPCJKJHRR-DGCLKSJQSA-N 0 1 361.789 1.530 20 5 FDBDMN COc1ccc([C@H]2[C@H](COC(=O)[C@@H]3CC3[N+](=O)[O-])CCC(=O)N2C)cc1 ZINC000842306234 846476803 /nfs/dbraw/zinc/47/68/03/846476803.db2.gz HGLODKBHSBWEQQ-CRNXPOROSA-N 0 1 362.382 1.813 20 5 FDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CC[C@H](C3CC3)O2)cc1 ZINC000905649764 852118598 /nfs/dbraw/zinc/11/85/98/852118598.db2.gz SIVBUWAWQDKAOW-GOEBONIOSA-N 0 1 354.428 1.916 20 5 FDBDMN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@@H](C2OCCO2)C1 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970560310 /nfs/dbraw/zinc/56/03/10/970560310.db2.gz ZACWJZXQWFCERJ-CHWSQXEVSA-N 0 1 354.204 1.763 20 5 FDBDMN CN1CC[C@@H](N2CCC(Nc3cc(F)c([N+](=O)[O-])cc3CO)CC2)C1=O ZINC000865886215 974546968 /nfs/dbraw/zinc/54/69/68/974546968.db2.gz IQKYOYRLSSAWIE-OAHLLOKOSA-N 0 1 366.393 1.333 20 5 FDBDMN CC(C)(C)OC(=O)NC(C)(C)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000849378748 977480417 /nfs/dbraw/zinc/48/04/17/977480417.db2.gz KCSXOTRJPBRMGX-UHFFFAOYSA-N 0 1 374.419 1.571 20 5 FDBDMN O=C(CCNS(=O)(=O)c1ncccc1[N+](=O)[O-])OC1CCCCC1 ZINC000849392955 977502620 /nfs/dbraw/zinc/50/26/20/977502620.db2.gz MWPQWQXUIJPWPT-UHFFFAOYSA-N 0 1 357.388 1.534 20 5 FDBDMN CCc1ccc([C@H](O)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000849392901 977503040 /nfs/dbraw/zinc/50/30/40/977503040.db2.gz WEVYDRKSSYARLB-CQSZACIVSA-N 0 1 351.384 1.564 20 5 FDBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2C[C@H](O)C23CCC3)c1 ZINC000849471770 977670794 /nfs/dbraw/zinc/67/07/94/977670794.db2.gz VQGCCNHWWDVJEL-MNOVXSKESA-N 0 1 364.782 1.969 20 5 FDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cc(C)n(C(C)C)n2)C1 ZINC000967946237 1014487631 /nfs/dbraw/zinc/48/76/31/1014487631.db2.gz LAGAJMBFJOGQCN-UKRRQHHQSA-N 0 1 363.418 1.111 20 5 FDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cccc3c2CCCC3)C1 ZINC000967951465 1014494945 /nfs/dbraw/zinc/49/49/45/1014494945.db2.gz XOZWLHRNERFSHQ-QZTJIDSGSA-N 0 1 371.437 1.904 20 5 FDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000967951771 1014496267 /nfs/dbraw/zinc/49/62/67/1014496267.db2.gz OGIZUEUFIZBEFC-IAGOWNOFSA-N 0 1 357.410 1.513 20 5 FDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCc2ccc(F)cc2)C1 ZINC000967952077 1014498649 /nfs/dbraw/zinc/49/86/49/1014498649.db2.gz YLZDXDPSZNGADT-HZPDHXFCSA-N 0 1 363.389 1.483 20 5 FDBDMN CCO[C@@H]1COCC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000776489152 978660048 /nfs/dbraw/zinc/66/00/48/978660048.db2.gz ZSAMPNMOJYPTMX-TZMCWYRMSA-N 0 1 357.794 1.970 20 5 FDBDMN C[C@@H](COC(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000851036336 978763268 /nfs/dbraw/zinc/76/32/68/978763268.db2.gz HLLTWBLRYQYAFW-WDEREUQCSA-N 0 1 368.390 1.956 20 5 FDBDMN O=c1[nH]nc2n1CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000776520505 978872476 /nfs/dbraw/zinc/87/24/76/978872476.db2.gz NCDRNCAFVRVYIZ-UHFFFAOYSA-N 0 1 354.164 1.670 20 5 FDBDMN C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC001592722699 979226089 /nfs/dbraw/zinc/22/60/89/979226089.db2.gz KKGSVOIMBNHGDD-VIFPVBQESA-N 0 1 357.388 1.054 20 5 FDBDMN CCOc1cc(NC(=O)N[C@H](C)CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000888834825 979415273 /nfs/dbraw/zinc/41/52/73/979415273.db2.gz SNAJWIXXKFYACR-CYBMUJFWSA-N 0 1 365.434 1.751 20 5 FDBDMN CCN(C(=O)c1ccc2occc2c1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968031591 1014591882 /nfs/dbraw/zinc/59/18/82/1014591882.db2.gz HCJILBJRUZYBGD-HUUCEWRRSA-N 0 1 357.366 1.771 20 5 FDBDMN C[N@@H+]1CCCN(CCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000882521496 980698004 /nfs/dbraw/zinc/69/80/04/980698004.db2.gz FFUAZECHABMWSB-UHFFFAOYSA-N 0 1 374.438 1.040 20 5 FDBDMN C[N@H+]1CCCN(CCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000882521496 980698006 /nfs/dbraw/zinc/69/80/06/980698006.db2.gz FFUAZECHABMWSB-UHFFFAOYSA-N 0 1 374.438 1.040 20 5 FDBDMN CCN(C(=O)c1ccc2c(c1)CCC=C2)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968171831 1014712310 /nfs/dbraw/zinc/71/23/10/1014712310.db2.gz ZHOOWJSZWMOMQW-QZTJIDSGSA-N 0 1 369.421 1.984 20 5 FDBDMN CCN(C(=O)c1cnc(C2CC2)s1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968196974 1014741969 /nfs/dbraw/zinc/74/19/69/1014741969.db2.gz JUHPSRWIOXAPHZ-VXGBXAGGSA-N 0 1 364.427 1.359 20 5 FDBDMN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000859277875 982674034 /nfs/dbraw/zinc/67/40/34/982674034.db2.gz DTMZADPQPZGJOZ-CQSZACIVSA-N 0 1 354.326 1.475 20 5 FDBDMN NC(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860260771 983314506 /nfs/dbraw/zinc/31/45/06/983314506.db2.gz MLJIWRPQEYUTML-LBPRGKRZSA-N 0 1 369.809 1.710 20 5 FDBDMN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000861720194 983872379 /nfs/dbraw/zinc/87/23/79/983872379.db2.gz VMPSWZXPLODEIS-CHWSQXEVSA-N 0 1 364.358 1.093 20 5 FDBDMN Cc1n[nH]c(C(=O)N2CCN(c3ncnc4ccsc43)CC2)c1[N+](=O)[O-] ZINC000266078067 984622613 /nfs/dbraw/zinc/62/26/13/984622613.db2.gz LYMVJYIFYIAGFN-UHFFFAOYSA-N 0 1 373.398 1.593 20 5 FDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000869815399 985364533 /nfs/dbraw/zinc/36/45/33/985364533.db2.gz LCSLVNGCJXWHBU-UHFFFAOYSA-N 0 1 355.398 1.444 20 5 FDBDMN CCN1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000885456967 985401346 /nfs/dbraw/zinc/40/13/46/985401346.db2.gz JYUZMGOSYZACES-OLZOCXBDSA-N 0 1 369.443 1.851 20 5 FDBDMN C[C@@H]1COCC[N@H+]1C1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594607233 986576930 /nfs/dbraw/zinc/57/69/30/986576930.db2.gz NXJIBCLIVVDHBG-CYBMUJFWSA-N 0 1 363.414 1.978 20 5 FDBDMN C[C@@H]1COCCN1C1CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594607233 986576939 /nfs/dbraw/zinc/57/69/39/986576939.db2.gz NXJIBCLIVVDHBG-CYBMUJFWSA-N 0 1 363.414 1.978 20 5 FDBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000886792358 986586315 /nfs/dbraw/zinc/58/63/15/986586315.db2.gz WIGKMEGDHOXHQL-JSGCOSHPSA-N 0 1 364.320 1.581 20 5 FDBDMN O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)CC3(O)CCOCC3)CC2)cc1 ZINC000871966571 987378307 /nfs/dbraw/zinc/37/83/07/987378307.db2.gz SEWKQWJLTHXMBS-KRWDZBQOSA-N 0 1 365.430 1.009 20 5 FDBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2Cc3ccccc3[C@H](n3cccn3)C2)c1 ZINC000360506622 988057641 /nfs/dbraw/zinc/05/76/41/988057641.db2.gz HJXBKBKBSBMRML-FUHWJXTLSA-N 0 1 368.397 1.454 20 5 FDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(c2nc[nH]n2)CC1 ZINC000365933843 988239971 /nfs/dbraw/zinc/23/99/71/988239971.db2.gz IXZILMBPHLBCTN-LLVKDONJSA-N 0 1 374.401 1.928 20 5 FDBDMN COc1ccnc(N2CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000361190218 988294662 /nfs/dbraw/zinc/29/46/62/988294662.db2.gz KJWHPRHBVNTVOP-INIZCTEOSA-N 0 1 373.413 1.639 20 5 FDBDMN O=C(N[C@H]1CCc2nc[nH]c2C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000366111584 988422495 /nfs/dbraw/zinc/42/24/95/988422495.db2.gz BWWLMJHDLMTGRA-NSHDSACASA-N 0 1 357.370 1.648 20 5 FDBDMN Cc1c(C(=O)N[C@@H]2CCc3nc[nH]c3C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000362407786 988656194 /nfs/dbraw/zinc/65/61/94/988656194.db2.gz NGRGRYLXGYGPQX-LLVKDONJSA-N 0 1 367.369 1.494 20 5 FDBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363194500 988984451 /nfs/dbraw/zinc/98/44/51/988984451.db2.gz SQRBKJDGFCOHJZ-UHFFFAOYSA-N 0 1 364.402 1.270 20 5 FDBDMN Cn1cc([C@@H]2[C@H](CNC(=O)c3cccc([N+](=O)[O-])c3[O-])CCC[N@H+]2C)cn1 ZINC000363917081 989460795 /nfs/dbraw/zinc/46/07/95/989460795.db2.gz GJDIIRYVOWNGGT-LRDDRELGSA-N 0 1 373.413 1.847 20 5 FDBDMN C[C@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])c2)C1=O ZINC000370278278 989612433 /nfs/dbraw/zinc/61/24/33/989612433.db2.gz DUALUMBZFFVUNL-IIYDPXPESA-N 0 1 358.354 1.515 20 5 FDBDMN CN1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000874363414 990169693 /nfs/dbraw/zinc/16/96/93/990169693.db2.gz SFHRLFUDEBMDCB-ZIAGYGMSSA-N 0 1 366.805 1.882 20 5 FDBDMN CN1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccc(F)cc1 ZINC000371066302 990221379 /nfs/dbraw/zinc/22/13/79/990221379.db2.gz ZNJMTKJPJAULCO-MAUKXSAKSA-N 0 1 374.372 1.457 20 5 FDBDMN CC(C)N1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000371505476 990486304 /nfs/dbraw/zinc/48/63/04/990486304.db2.gz JLQGARXKKYBLJO-KRWDZBQOSA-N 0 1 359.430 1.883 20 5 FDBDMN C[N@@H+](CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])CC(=O)[O-] ZINC001598490792 992288838 /nfs/dbraw/zinc/28/88/38/992288838.db2.gz FXKAWQIKKPPQMN-UHFFFAOYSA-N 0 1 360.164 1.104 20 5 FDBDMN COc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000412046559 992780289 /nfs/dbraw/zinc/78/02/89/992780289.db2.gz SKDQFBSDWUYKHM-ZYHUDNBSSA-N 0 1 374.401 1.846 20 5 FDBDMN COc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000412046559 992780294 /nfs/dbraw/zinc/78/02/94/992780294.db2.gz SKDQFBSDWUYKHM-ZYHUDNBSSA-N 0 1 374.401 1.846 20 5 FDBDMN C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001598598351 993539086 /nfs/dbraw/zinc/53/90/86/993539086.db2.gz NCCXKRJCZLOSEE-OLZOCXBDSA-N 0 1 369.399 1.150 20 5 FDBDMN C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001598598351 993539090 /nfs/dbraw/zinc/53/90/90/993539090.db2.gz NCCXKRJCZLOSEE-OLZOCXBDSA-N 0 1 369.399 1.150 20 5 FDBDMN COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001599589757 993663090 /nfs/dbraw/zinc/66/30/90/993663090.db2.gz OJBWAJDYODEVHF-GTNSWQLSSA-N 0 1 365.386 1.975 20 5 FDBDMN 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O=C(c1cnc(C2CC2)o1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000969283427 769748806 /nfs/dbraw/zinc/74/88/06/769748806.db2.gz RSLMAJXTGWXSOH-YVECIDJPSA-N 0 1 360.370 1.033 20 5 FDBDMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCc1cccc([N+](=O)[O-])c1 ZINC000175329975 770088086 /nfs/dbraw/zinc/08/80/86/770088086.db2.gz ISLDPSVVCFTGGP-UHFFFAOYSA-N 0 1 370.390 1.910 20 5 FDBDMN CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000430509484 774767942 /nfs/dbraw/zinc/76/79/42/774767942.db2.gz OIEXMLRPQZRYRN-OAHLLOKOSA-N 0 1 359.338 1.600 20 5 FDBDMN COC1(C)CN(C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])C1 ZINC000934045179 780643556 /nfs/dbraw/zinc/64/35/56/780643556.db2.gz KVSISPVOJMMBJU-UHFFFAOYSA-N 0 1 363.418 1.599 20 5 FDBDMN CN1CCN(C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])CC1 ZINC000934046875 780645855 /nfs/dbraw/zinc/64/58/55/780645855.db2.gz CMDNZIKFTYKXDY-UHFFFAOYSA-N 0 1 362.434 1.126 20 5 FDBDMN Cc1cc(N2CCC3(CC2)NC(=O)N(C)C3=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000277094208 780741094 /nfs/dbraw/zinc/74/10/94/780741094.db2.gz VYTYTAHRKYPXHA-UHFFFAOYSA-N 0 1 369.381 1.972 20 5 FDBDMN O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000934218713 781637552 /nfs/dbraw/zinc/63/75/52/781637552.db2.gz BFGDKVGEGIALOZ-ZTFGCOKTSA-N 0 1 359.426 1.879 20 5 FDBDMN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000375798661 784919942 /nfs/dbraw/zinc/91/99/42/784919942.db2.gz UDBHDICUZLJWQJ-KEYYUXOJSA-N 0 1 374.441 1.798 20 5 FDBDMN O=C1C[C@@]2(CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)Oc2ccccc21 ZINC000411976648 785503028 /nfs/dbraw/zinc/50/30/28/785503028.db2.gz DQMDJMREHLUMAU-RDTXWAMCSA-N 0 1 372.381 1.262 20 5 FDBDMN Cc1cc(Cl)ccc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978794053 805762286 /nfs/dbraw/zinc/76/22/86/805762286.db2.gz FAGCLSHSHIZEFQ-DZGBDDFRSA-N 0 1 365.817 1.938 20 5 FDBDMN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc(C2CC2)cn1 ZINC000978793877 805762862 /nfs/dbraw/zinc/76/28/62/805762862.db2.gz BFZJLPPZRQUQOV-FDKDBAQKSA-N 0 1 358.398 1.249 20 5 FDBDMN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc2c(c1)COC2 ZINC000978794633 805763551 /nfs/dbraw/zinc/76/35/51/805763551.db2.gz HLZULXWBRPVCBB-CXOGBFNASA-N 0 1 359.382 1.007 20 5 FDBDMN Cc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c2c1CCC2 ZINC000978794661 805763662 /nfs/dbraw/zinc/76/36/62/805763662.db2.gz IEDORHGKXKZPLI-JGTCGTHISA-N 0 1 371.437 1.774 20 5 FDBDMN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1scnc1Cl ZINC000978801902 805778129 /nfs/dbraw/zinc/77/81/29/805778129.db2.gz BLFMQLKOSFXMNO-BZNPZCIMSA-N 0 1 358.807 1.086 20 5 FDBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc(C2CCC2)cc1 ZINC000973254614 788378373 /nfs/dbraw/zinc/37/83/73/788378373.db2.gz LZUODDJSXGKYJP-QBPKDAKJSA-N 0 1 357.410 1.996 20 5 FDBDMN Cc1c(Cl)cncc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973257142 788396992 /nfs/dbraw/zinc/39/69/92/788396992.db2.gz IYLOMGFLSKZLJF-VWMGYNLJSA-N 0 1 352.778 1.086 20 5 FDBDMN Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)n1C(C)C ZINC000973257896 788398397 /nfs/dbraw/zinc/39/83/97/788398397.db2.gz MUXAACSXTMRISQ-RRCSTGOVSA-N 0 1 362.430 1.728 20 5 FDBDMN O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc(C(F)F)cc1 ZINC000979032093 805998207 /nfs/dbraw/zinc/99/82/07/805998207.db2.gz PBKKKZIPBQWRSX-GJQVQUKXSA-N 0 1 367.352 1.914 20 5 FDBDMN O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc2cccnc2c1 ZINC000979141407 806077341 /nfs/dbraw/zinc/07/73/41/806077341.db2.gz KNPQJDXYZLCLFP-HVDRQEDPSA-N 0 1 368.393 1.525 20 5 FDBDMN CCCc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000979220083 806115497 /nfs/dbraw/zinc/11/54/97/806115497.db2.gz KTHSSSLIFPHKJC-XLNGHYISSA-N 0 1 359.426 1.929 20 5 FDBDMN CCc1[nH]nc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)c1[N+](=O)[O-] ZINC000377593027 792285026 /nfs/dbraw/zinc/28/50/26/792285026.db2.gz KWGLECDZTWKPOL-UHFFFAOYSA-N 0 1 361.358 1.462 20 5 FDBDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000378306169 793917334 /nfs/dbraw/zinc/91/73/34/793917334.db2.gz DTSRWTCPXAUKJQ-GFCCVEGCSA-N 0 1 352.354 1.791 20 5 FDBDMN CCOc1cccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000979373080 806302392 /nfs/dbraw/zinc/30/23/92/806302392.db2.gz DWACFSAYDQASSL-WXYCVUISSA-N 0 1 361.398 1.375 20 5 FDBDMN C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000378538436 794288148 /nfs/dbraw/zinc/28/81/48/794288148.db2.gz AJJPTSYZADNOHR-INWMFGNUSA-N 0 1 363.414 1.920 20 5 FDBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cccc(N2CC=CC2)c1 ZINC000974110427 794414751 /nfs/dbraw/zinc/41/47/51/794414751.db2.gz AENBQBOQGRAHAA-YALNPMBYSA-N 0 1 370.409 1.105 20 5 FDBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1nccc2ccccc21 ZINC000974110292 794415220 /nfs/dbraw/zinc/41/52/20/794415220.db2.gz SJPMGXHMVCBWFL-AYRXBEOTSA-N 0 1 354.366 1.277 20 5 FDBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cccc(-c2ccoc2)c1 ZINC000974109350 794422760 /nfs/dbraw/zinc/42/27/60/794422760.db2.gz FFHUQMYCHLBJBP-YYIAUSFCSA-N 0 1 369.377 1.989 20 5 FDBDMN O=C(N[C@H]1C[C@@H](NC(=O)C2(c3ccccc3F)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000974109725 794423959 /nfs/dbraw/zinc/42/39/59/794423959.db2.gz HXRCPQXYCNXCDO-NWJSVONSSA-N 0 1 361.373 1.286 20 5 FDBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1coc2cc(F)ccc12 ZINC000974111393 794425895 /nfs/dbraw/zinc/42/58/95/794425895.db2.gz MRDYMCJKBCUGJX-IQOUGMIPSA-N 0 1 361.329 1.614 20 5 FDBDMN O=C(Cc1cncc2ccccc21)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974115116 794435529 /nfs/dbraw/zinc/43/55/29/794435529.db2.gz KIXHWQTUBBRTHF-YALNPMBYSA-N 0 1 368.393 1.206 20 5 FDBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc2cccc(F)c2o1 ZINC000974116004 794438507 /nfs/dbraw/zinc/43/85/07/794438507.db2.gz HBKRGXCMGSOUMO-LSCVPOLPSA-N 0 1 361.329 1.614 20 5 FDBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc(-c2ccccc2)on1 ZINC000974116325 794440636 /nfs/dbraw/zinc/44/06/36/794440636.db2.gz JTAPSFUFXLTSEQ-QVHKTLOISA-N 0 1 370.365 1.384 20 5 FDBDMN Cn1cc([C@@H]2[C@@H](CNC(=O)c3cccc([N+](=O)[O-])c3[O-])CCC[N@H+]2C)cn1 ZINC000363917083 794563806 /nfs/dbraw/zinc/56/38/06/794563806.db2.gz GJDIIRYVOWNGGT-WBMJQRKESA-N 0 1 373.413 1.847 20 5 FDBDMN O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccsc1Cl ZINC000979744483 806430410 /nfs/dbraw/zinc/43/04/10/806430410.db2.gz DBRPVVQLMSDBTH-YJFSRANCSA-N 0 1 357.819 1.691 20 5 FDBDMN O=C(Cc1ccc(Cl)s1)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979744444 806431026 /nfs/dbraw/zinc/43/10/26/806431026.db2.gz CSQNNGYDBSWUHT-CNVPUSNMSA-N 0 1 371.846 1.620 20 5 FDBDMN Cc1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)s1 ZINC000979746083 806431917 /nfs/dbraw/zinc/43/19/17/806431917.db2.gz GCZPYPREAWXJPL-HBJVGIJOSA-N 0 1 351.428 1.655 20 5 FDBDMN Cc1c(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cnn1C(C)C ZINC000979757196 806445099 /nfs/dbraw/zinc/44/50/99/806445099.db2.gz OJEQTBLPXOFVKH-RGCMKSIDSA-N 0 1 363.418 1.062 20 5 FDBDMN C[C@@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000893375360 796208025 /nfs/dbraw/zinc/20/80/25/796208025.db2.gz ZLVMNWHPUNVYIT-CYBMUJFWSA-N 0 1 374.441 1.728 20 5 FDBDMN COc1cccc(F)c1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979919260 806605592 /nfs/dbraw/zinc/60/55/92/806605592.db2.gz MAEBTQFNUXVHBZ-PRULPYPASA-N 0 1 365.361 1.124 20 5 FDBDMN O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cncc2ccccc21 ZINC000979922328 806607655 /nfs/dbraw/zinc/60/76/55/806607655.db2.gz XTIHFCUSXYJPSC-WBMRYOJMSA-N 0 1 368.393 1.525 20 5 FDBDMN O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cccc2c1CCC2 ZINC000979958576 806620873 /nfs/dbraw/zinc/62/08/73/806620873.db2.gz FVLPPXFITHOKHP-MCPWVCTESA-N 0 1 357.410 1.465 20 5 FDBDMN COc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(F)c1 ZINC000980011273 806687376 /nfs/dbraw/zinc/68/73/76/806687376.db2.gz IGYNBONTYPKUNS-HMYIPDOQSA-N 0 1 365.361 1.124 20 5 FDBDMN CCc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)oc1CC ZINC000980057607 806715251 /nfs/dbraw/zinc/71/52/51/806715251.db2.gz ANVIGAFAONSKJX-FMKGYKFTSA-N 0 1 363.414 1.694 20 5 FDBDMN COc1cc(C)ccc1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000980091211 806750184 /nfs/dbraw/zinc/75/01/84/806750184.db2.gz RACOBOIBLYRAII-QHSBEEBCSA-N 0 1 361.398 1.293 20 5 FDBDMN Cc1nc2cc(C(=O)NC[C@H]3C[C@H](NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)ccc2[nH]1 ZINC000980320757 806955059 /nfs/dbraw/zinc/95/50/59/806955059.db2.gz PGKIPBJHWUCVLU-XNIJJKJLSA-N 0 1 371.397 1.161 20 5 FDBDMN CCn1cc(Cl)cc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976478856 803434732 /nfs/dbraw/zinc/43/47/32/803434732.db2.gz CQKPIKHIBXVLLW-DIACKHNESA-N 0 1 366.805 1.013 20 5 FDBDMN C[C@@H]1CN(C(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)N1 ZINC000423113541 814972124 /nfs/dbraw/zinc/97/21/24/814972124.db2.gz YLUHNYWBMZGXPJ-BETUJISGSA-N 0 1 360.414 1.295 20 5 FDBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)c1cccc2cccnc21 ZINC000976783200 803909423 /nfs/dbraw/zinc/90/94/23/803909423.db2.gz UWDLJJUBKPFVPC-GAGVYUBLSA-N 0 1 366.377 1.087 20 5 FDBDMN CC(C)c1ncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)s1 ZINC000976819839 803938225 /nfs/dbraw/zinc/93/82/25/803938225.db2.gz WJKLLCAAJLFKSF-HMUNZLOLSA-N 0 1 364.427 1.118 20 5 FDBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)c1cccc2ccsc21 ZINC000977182790 804502349 /nfs/dbraw/zinc/50/23/49/804502349.db2.gz LPEGSGWNTBNLBX-QMIVOQANSA-N 0 1 371.418 1.753 20 5 FDBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)c1c(F)cccc1Cl ZINC000977172273 804509396 /nfs/dbraw/zinc/50/93/96/804509396.db2.gz ZLHLERCTLHNJIX-PEZYRPDVSA-N 0 1 367.764 1.331 20 5 FDBDMN CCc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sc1C ZINC000980586016 807080025 /nfs/dbraw/zinc/08/00/25/807080025.db2.gz FXCLMHXTKKWWBN-FMKGYKFTSA-N 0 1 365.455 1.909 20 5 FDBDMN C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)N1C ZINC000513046214 810541066 /nfs/dbraw/zinc/54/10/66/810541066.db2.gz JMEZIZFEIIAYCM-XQQFMLRXSA-N 0 1 364.402 1.343 20 5 FDBDMN O=C1COc2ccc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2N1 ZINC000513292512 811357340 /nfs/dbraw/zinc/35/73/40/811357340.db2.gz SUYNTXWVUWEUOI-UHFFFAOYSA-N 0 1 357.370 1.959 20 5 FDBDMN CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280331713 811783907 /nfs/dbraw/zinc/78/39/07/811783907.db2.gz HTCCVRSIKFMRML-YJBOKZPZSA-N 0 1 366.414 1.604 20 5 FDBDMN COC(=O)[C@H]1CN(C)CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000413147993 812093088 /nfs/dbraw/zinc/09/30/88/812093088.db2.gz RRZGWBPQHULLFC-OCCSQVGLSA-N 0 1 364.402 1.402 20 5 FDBDMN 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O=C(c1ccc2ncccc2c1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941013059 893635008 /nfs/dbraw/zinc/63/50/08/893635008.db2.gz YYGZGVKEGQLPQF-NVXWUHKLSA-N 0 1 368.393 1.575 20 5 FDBDMN Cc1nn(C)c(Cl)c1CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002781562 893936196 /nfs/dbraw/zinc/93/61/96/893936196.db2.gz FPHABRCPUQMRQZ-DGCLKSJQSA-N 0 1 355.826 1.128 20 5 FDBDMN Cc1cccc(NC(=O)CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001002784229 893941525 /nfs/dbraw/zinc/94/15/25/893941525.db2.gz ZUJVNVZOIWDHJX-HZPDHXFCSA-N 0 1 360.414 1.179 20 5 FDBDMN Cc1c(F)ccc(Cl)c1C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001002824984 894242711 /nfs/dbraw/zinc/24/27/11/894242711.db2.gz OKASFUHXYXNPFG-ZWNOBZJWSA-N 0 1 369.780 1.641 20 5 FDBDMN CC(C)(C)n1cc(CN2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001001398114 898962874 /nfs/dbraw/zinc/96/28/74/898962874.db2.gz ACSKLLYVFGVXNH-HUUCEWRRSA-N 0 1 364.450 1.027 20 5 FDBDMN Cc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(F)c1 ZINC000943699397 899195423 /nfs/dbraw/zinc/19/54/23/899195423.db2.gz IIHBTIWNFAUBMQ-ZNEHSRBWSA-N 0 1 363.389 1.957 20 5 FDBDMN CCCn1cc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000943699372 899195609 /nfs/dbraw/zinc/19/56/09/899195609.db2.gz GVZUXHWGFUGYRK-KBUPBQIOSA-N 0 1 363.418 1.116 20 5 FDBDMN O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cc2cccn2cn1 ZINC000943699820 899196825 /nfs/dbraw/zinc/19/68/25/899196825.db2.gz RMIHNHWGULOXEB-ZNEHSRBWSA-N 0 1 371.397 1.157 20 5 FDBDMN CCn1cc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC000943700000 899198959 /nfs/dbraw/zinc/19/89/59/899198959.db2.gz VRIVBYBKOTYTJV-RGCMKSIDSA-N 0 1 363.418 1.034 20 5 FDBDMN O=C(NCC1CN(C(=O)C2(Cc3ccccc3)CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001796365 899391024 /nfs/dbraw/zinc/39/10/24/899391024.db2.gz QGSGYJCGGUHKOM-IAGOWNOFSA-N 0 1 371.437 1.639 20 5 FDBDMN CCn1ccc(C(=O)NCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)n1 ZINC000943788686 899391032 /nfs/dbraw/zinc/39/10/32/899391032.db2.gz ZHGUQULPMVGLSB-GDBMZVCRSA-N 0 1 371.397 1.114 20 5 FDBDMN O=C(NCC1CN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001796817 899393549 /nfs/dbraw/zinc/39/35/49/899393549.db2.gz RUDGGUHCPKJSIW-GMSGAONNSA-N 0 1 361.185 1.175 20 5 FDBDMN Cc1nc(C2CC2)ccc1C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001803244 899420883 /nfs/dbraw/zinc/42/08/83/899420883.db2.gz RLGUANHZMJIVOU-GDBMZVCRSA-N 0 1 358.398 1.121 20 5 FDBDMN O=C(NCC1CN(C(=O)c2cccc3ccncc32)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001809450 899489742 /nfs/dbraw/zinc/48/97/42/899489742.db2.gz DTZOYFWDWAGSRW-GDBMZVCRSA-N 0 1 354.366 1.088 20 5 FDBDMN O=C(NCC1CN(C(=O)c2ccc3sccc3c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001809876 899491385 /nfs/dbraw/zinc/49/13/85/899491385.db2.gz IWLNWNSWUAOZQP-ZIAGYGMSSA-N 0 1 359.407 1.755 20 5 FDBDMN COCc1ccccc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063588582 901014622 /nfs/dbraw/zinc/01/46/22/901014622.db2.gz JOJAGFUPWFBJOA-HUUCEWRRSA-N 0 1 361.398 1.267 20 5 FDBDMN Cc1csc(C(=O)N2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)c1 ZINC000944931452 901058698 /nfs/dbraw/zinc/05/86/98/901058698.db2.gz PWJFTNSZAQUIEU-CHWSQXEVSA-N 0 1 363.439 1.786 20 5 FDBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccc2ccncc2n1 ZINC001063664833 901074455 /nfs/dbraw/zinc/07/44/55/901074455.db2.gz CAKWCSNUKPFUPI-IUODEOHRSA-N 0 1 369.381 1.064 20 5 FDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCN(C(=O)C1C=CC=CC=C1)CC2 ZINC000944951796 901097639 /nfs/dbraw/zinc/09/76/39/901097639.db2.gz BYPFAAYUZPUGED-HZPDHXFCSA-N 0 1 357.410 1.401 20 5 FDBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1cc2cnccc2o1 ZINC001063792016 901116584 /nfs/dbraw/zinc/11/65/84/901116584.db2.gz LZWNODFFEJTZQB-VXGBXAGGSA-N 0 1 358.354 1.262 20 5 FDBDMN CC(C)(C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)C1CCOCC1 ZINC001063794425 901118112 /nfs/dbraw/zinc/11/81/12/901118112.db2.gz OYYUPIGYWMNBKF-ZIAGYGMSSA-N 0 1 367.446 1.260 20 5 FDBDMN Cc1nc2cc(C(=O)NCC3(NC(=O)[C@@H]4CC4[N+](=O)[O-])CCC3)ccc2[nH]1 ZINC001064235433 901272303 /nfs/dbraw/zinc/27/23/03/901272303.db2.gz ODCRBQKJZZJZRX-IUODEOHRSA-N 0 1 371.397 1.305 20 5 FDBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1coc(CC2CC2)n1 ZINC001064318083 901282316 /nfs/dbraw/zinc/28/23/16/901282316.db2.gz BVXNXBIBHZSIRL-DGCLKSJQSA-N 0 1 362.386 1.061 20 5 FDBDMN Cc1oc(C2CC2)nc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001064321707 901282976 /nfs/dbraw/zinc/28/29/76/901282976.db2.gz UVVAQLRPQXVXKG-VXGBXAGGSA-N 0 1 362.386 1.294 20 5 FDBDMN COc1ccccc1CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001064594457 901460366 /nfs/dbraw/zinc/46/03/66/901460366.db2.gz ZYILJJRDKKHEKF-ZIAGYGMSSA-N 0 1 361.398 1.058 20 5 FDBDMN O=C(NC1(CNC(=O)C2CCC(F)(F)CC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001064690591 901553489 /nfs/dbraw/zinc/55/34/89/901553489.db2.gz JPEWRQJOEGGTFA-VXGBXAGGSA-N 0 1 359.373 1.632 20 5 FDBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccc2cnccc2n1 ZINC001064690661 901554925 /nfs/dbraw/zinc/55/49/25/901554925.db2.gz LVZJLMXQXQRLCN-IUODEOHRSA-N 0 1 369.381 1.064 20 5 FDBDMN CCN(C(=O)CCc1cccs1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079755764 903203029 /nfs/dbraw/zinc/20/30/29/903203029.db2.gz RAOCNQVGQLMXBE-ZIAGYGMSSA-N 0 1 351.428 1.405 20 5 FDBDMN CCN(C(=O)COC1CCCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080060597 903958183 /nfs/dbraw/zinc/95/81/83/903958183.db2.gz GRTDKSRZBBQQMZ-HUUCEWRRSA-N 0 1 353.419 1.060 20 5 FDBDMN O=C(Cc1ccc(C2CCC2)cc1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000996577935 904221131 /nfs/dbraw/zinc/22/11/31/904221131.db2.gz SIUKWJPSVLHZHV-IAGOWNOFSA-N 0 1 357.410 1.489 20 5 FDBDMN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842790344 905590132 /nfs/dbraw/zinc/59/01/32/905590132.db2.gz JGEYIWAYMRMMDZ-ZETCQYMHSA-N 0 1 352.210 1.373 20 5 FDBDMN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)cc1[N+](=O)[O-] ZINC000765110527 906396344 /nfs/dbraw/zinc/39/63/44/906396344.db2.gz UWPDBWXBEKAJOS-VIFPVBQESA-N 0 1 361.318 1.344 20 5 FDBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc(F)c(Cl)cc1F ZINC000998667888 911431685 /nfs/dbraw/zinc/43/16/85/911431685.db2.gz HQWUHIGYSZRSFU-PRHODGIISA-N 0 1 359.716 1.224 20 5 FDBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc(-c2ccco2)s1 ZINC000998918480 911852401 /nfs/dbraw/zinc/85/24/01/911852401.db2.gz IANFYXORUVXSSF-GHMZBOCLSA-N 0 1 361.379 1.614 20 5 FDBDMN COCCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000730035590 915972248 /nfs/dbraw/zinc/97/22/48/915972248.db2.gz AVZNRFIIJCLCTD-CYBMUJFWSA-N 0 1 366.374 1.652 20 5 FDBDMN O=C(OCCc1c[nH]nn1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000735299438 924223315 /nfs/dbraw/zinc/22/33/15/924223315.db2.gz RYZGCYCVAGWWHK-SNVBAGLBSA-N 0 1 365.371 1.165 20 5 FDBDMN O=C(OCCc1cnn[nH]1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000735299438 924223320 /nfs/dbraw/zinc/22/33/20/924223320.db2.gz RYZGCYCVAGWWHK-SNVBAGLBSA-N 0 1 365.371 1.165 20 5 FDBDMN CC(C)(C)c1noc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001086363500 926830593 /nfs/dbraw/zinc/83/05/93/926830593.db2.gz XUYRSHBBUZWXFK-DDHJBXDOSA-N 0 1 351.407 1.017 20 5 FDBDMN COC[C@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001169012268 928222203 /nfs/dbraw/zinc/22/22/03/928222203.db2.gz OWNZUSUZCMDWCW-RRFJBIMHSA-N 0 1 357.451 2.000 20 5 FDBDMN CCOC(=O)c1csc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169033646 928230696 /nfs/dbraw/zinc/23/06/96/928230696.db2.gz CUYATNDGTTYFLI-QWHCGFSZSA-N 0 1 368.459 1.887 20 5 FDBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3ncc(Br)cn3)CC2)C1 ZINC001169038962 928233147 /nfs/dbraw/zinc/23/31/47/928233147.db2.gz LYSCZEGKJRJWQI-AAEUAGOBSA-N 0 1 370.251 1.807 20 5 FDBDMN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169018738 928239895 /nfs/dbraw/zinc/23/98/95/928239895.db2.gz DDPSDIITDKWFMU-KONPQCLYSA-N 0 1 369.462 1.160 20 5 FDBDMN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169026347 928252311 /nfs/dbraw/zinc/25/23/11/928252311.db2.gz LFOXXXQIXFHGSO-BQFCYCMXSA-N 0 1 369.462 1.018 20 5 FDBDMN COC(=O)C[C@@]1(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCOC1 ZINC000770697922 930209338 /nfs/dbraw/zinc/20/93/38/930209338.db2.gz KWZVYQXMBONJJL-KRWDZBQOSA-N 0 1 365.386 1.544 20 5 FDBDMN COC(=O)[C@@H]1CN(C)CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000822630497 945140969 /nfs/dbraw/zinc/14/09/69/945140969.db2.gz GHZCYEJZYPXOST-FVQBIDKESA-N 0 1 361.398 1.262 20 5 FDBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2COC(=O)N(C)CC)c1[N+](=O)[O-] ZINC000805287884 938713390 /nfs/dbraw/zinc/71/33/90/938713390.db2.gz ZKNWHNZGXVIUJF-LLVKDONJSA-N 0 1 367.406 1.963 20 5 FDBDMN CCc1cc(CNC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n[nH]1 ZINC000805847186 938843311 /nfs/dbraw/zinc/84/33/11/938843311.db2.gz LQDNYWICQIYMBG-UHFFFAOYSA-N 0 1 371.397 1.688 20 5 FDBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 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COc1ccc(NC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000594082107 552247581 /nfs/dbraw/zinc/24/75/81/552247581.db2.gz ZSPPFBDYKZOJEC-LBPRGKRZSA-N 0 1 362.346 1.895 20 5 FDBDMN CN(CC(=O)NCc1n[nH]c([C@@H]2CCCO2)n1)c1ccccc1[N+](=O)[O-] ZINC000594385366 552300505 /nfs/dbraw/zinc/30/05/05/552300505.db2.gz LGFFQAJTSPBEOQ-ZDUSSCGKSA-N 0 1 360.374 1.317 20 5 FDBDMN O=c1[nH]c(NCc2n[nH]c([C@@H]3CCCO3)n2)nc2ccc([N+](=O)[O-])cc21 ZINC000594590046 552338321 /nfs/dbraw/zinc/33/83/21/552338321.db2.gz QTSAMRQORUGJKU-NSHDSACASA-N 0 1 357.330 1.825 20 5 FDBDMN Nc1cc(N2CCC[C@@H](N3CCOCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000594600542 552339091 /nfs/dbraw/zinc/33/90/91/552339091.db2.gz RQJBDOBJZGXQRE-CQSZACIVSA-N 0 1 350.419 1.360 20 5 FDBDMN COc1ccc(CCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594749876 552369938 /nfs/dbraw/zinc/36/99/38/552369938.db2.gz CNOZODOCQWHQQN-UHFFFAOYSA-N 0 1 351.384 1.910 20 5 FDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000594750281 552370115 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1.433 20 5 FDBDMN O=C1[C@@H](N2CC[C@H](Cn3ccnn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595608735 552592072 /nfs/dbraw/zinc/59/20/72/552592072.db2.gz UXROHYHYAMVQGY-BBRMVZONSA-N 0 1 356.386 1.314 20 5 FDBDMN COC(=O)COc1ccc(CN2CC[C@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000597228439 552763386 /nfs/dbraw/zinc/76/33/86/552763386.db2.gz CTHCVJSUDHHKNK-KBPBESRZSA-N 0 1 350.371 1.615 20 5 FDBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CN(C)C1 ZINC000598165666 552871188 /nfs/dbraw/zinc/87/11/88/552871188.db2.gz YMQAFANGYPYEFE-UHFFFAOYSA-N 0 1 353.444 1.967 20 5 FDBDMN Cc1[nH]nc(C(=O)N2CCc3nnc(N4CCCC4)cc3C2)c1[N+](=O)[O-] ZINC000598582643 552911428 /nfs/dbraw/zinc/91/14/28/552911428.db2.gz SJUBWHQWNZOLFB-UHFFFAOYSA-N 0 1 357.374 1.215 20 5 FDBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(N2CCOCC2)CC1 ZINC000599106612 552968659 /nfs/dbraw/zinc/96/86/59/552968659.db2.gz WZSGZQJLTAMXAN-UHFFFAOYSA-N 0 1 363.414 1.991 20 5 FDBDMN C[C@H]1CCC[N@@H+](C(C)(C)C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599217960 552989964 /nfs/dbraw/zinc/98/99/64/552989964.db2.gz IZQICFPPLSTRKB-NSHDSACASA-N 0 1 359.452 1.117 20 5 FDBDMN C[C@H]1CCC[N@H+](C(C)(C)C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599217960 552989967 /nfs/dbraw/zinc/98/99/67/552989967.db2.gz IZQICFPPLSTRKB-NSHDSACASA-N 0 1 359.452 1.117 20 5 FDBDMN Cc1ccc(C(C)(C)CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599237596 552997734 /nfs/dbraw/zinc/99/77/34/552997734.db2.gz WSSPKMATVMWDGD-UHFFFAOYSA-N 0 1 352.416 1.893 20 5 FDBDMN COc1ccc(CCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c(Cl)c1 ZINC000599257271 553005264 /nfs/dbraw/zinc/00/52/64/553005264.db2.gz LGDGXPMKUWNWEK-UHFFFAOYSA-N 0 1 374.806 1.511 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC2Cc3ccccc3C2)n1 ZINC000599263600 553008204 /nfs/dbraw/zinc/00/82/04/553008204.db2.gz GWJFYMWRAQNWSE-UHFFFAOYSA-N 0 1 350.400 1.412 20 5 FDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](CO)c2ccc(Cl)cc2)n1 ZINC000599306489 553021688 /nfs/dbraw/zinc/02/16/88/553021688.db2.gz 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O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599937048 553177689 /nfs/dbraw/zinc/17/76/89/553177689.db2.gz CDYYVQRRFSERSF-KGLIPLIRSA-N 0 1 351.428 1.354 20 5 FDBDMN O=C(NCC1(OCCO)CCC(F)(F)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600303218 553246506 /nfs/dbraw/zinc/24/65/06/553246506.db2.gz WCFUONQHIPPPSR-UHFFFAOYSA-N 0 1 374.340 1.987 20 5 FDBDMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600676375 553298227 /nfs/dbraw/zinc/29/82/27/553298227.db2.gz UDHLJQXWGPTKIK-QVHKTLOISA-N 0 1 352.387 1.908 20 5 FDBDMN CCC1(N2CCOCC2)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000600683009 553299620 /nfs/dbraw/zinc/29/96/20/553299620.db2.gz QMQRWLGJMXGTPS-UHFFFAOYSA-N 0 1 362.430 1.894 20 5 FDBDMN CC1([NH+]2CCOCC2)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000600836051 553320731 /nfs/dbraw/zinc/32/07/31/553320731.db2.gz GZZPKJMQIPNFMF-UHFFFAOYSA-N 0 1 350.375 1.022 20 5 FDBDMN CC1(N2CCOCC2)CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 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351.403 1.925 20 5 FDBDMN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCCN(C)C1=O ZINC000601971954 553497606 /nfs/dbraw/zinc/49/76/06/553497606.db2.gz XNXPXCOXSSVZPW-ZFWWWQNUSA-N 0 1 351.403 1.277 20 5 FDBDMN Cn1c(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)ccc1[N+](=O)[O-] ZINC000603695306 553810467 /nfs/dbraw/zinc/81/04/67/553810467.db2.gz LDYAUOFUEHLYKD-UHFFFAOYSA-N 0 1 358.402 1.010 20 5 FDBDMN C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000603777073 553813898 /nfs/dbraw/zinc/81/38/98/553813898.db2.gz HTWYQMALPAZERG-HNNXBMFYSA-N 0 1 365.411 1.882 20 5 FDBDMN NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCN(C2CCCC2)CC1 ZINC000603931665 553831059 /nfs/dbraw/zinc/83/10/59/553831059.db2.gz CLDCKTWWCVSOAG-UHFFFAOYSA-N 0 1 354.432 1.307 20 5 FDBDMN COc1ccc(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000604286109 553859372 /nfs/dbraw/zinc/85/93/72/553859372.db2.gz LFUHWROXVWFDKA-CQSZACIVSA-N 0 1 354.326 1.636 20 5 FDBDMN O=C(COc1cccc([N+](=O)[O-])c1)N1CCCN(C[C@@H]2CCCO2)CC1 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358.314 1.868 20 5 FDBDMN CN(C)[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000123663191 524801474 /nfs/dbraw/zinc/80/14/74/524801474.db2.gz HITNGUKPOQUACJ-LBPRGKRZSA-N 0 1 357.363 1.908 20 5 FDBDMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000152429380 524882299 /nfs/dbraw/zinc/88/22/99/524882299.db2.gz FEBYSCZJCWLJIR-OAHLLOKOSA-N 0 1 364.377 1.113 20 5 FDBDMN O=C(Cn1cc([N+](=O)[O-])cn1)NCC1(CN2CCOCC2)CCCCC1 ZINC000175646364 524986975 /nfs/dbraw/zinc/98/69/75/524986975.db2.gz NYFCZAAGQYQWHG-UHFFFAOYSA-N 0 1 365.434 1.190 20 5 FDBDMN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCCc1nc(=O)[nH][nH]1 ZINC000175724522 524996742 /nfs/dbraw/zinc/99/67/42/524996742.db2.gz SDVKBSYMVPIZLG-UHFFFAOYSA-N 0 1 353.310 1.367 20 5 FDBDMN CCc1nc(CN2CCN(C(=O)c3[nH]nc(C)c3[N+](=O)[O-])CC2)cs1 ZINC000116449665 525156980 /nfs/dbraw/zinc/15/69/80/525156980.db2.gz IDBUMNJDXTTZDP-UHFFFAOYSA-N 0 1 364.431 1.603 20 5 FDBDMN CN1CCN(CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116719539 525198139 /nfs/dbraw/zinc/19/81/39/525198139.db2.gz RGAGGVXEIRVCKN-UHFFFAOYSA-N 0 1 370.837 1.381 20 5 FDBDMN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](CN2CCOCC2)C1 ZINC000154422794 525529802 /nfs/dbraw/zinc/52/98/02/525529802.db2.gz DKHNFKBZZNEYCQ-CQSZACIVSA-N 0 1 365.405 1.847 20 5 FDBDMN CCC[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000119439604 525745214 /nfs/dbraw/zinc/74/52/14/525745214.db2.gz XUNVKDWHUKVGTD-CQSZACIVSA-N 0 1 351.403 1.873 20 5 FDBDMN COC(=O)CCN1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000182086618 526051006 /nfs/dbraw/zinc/05/10/06/526051006.db2.gz MCQFYLBBFCOKLL-AWEZNQCLSA-N 0 1 351.403 1.543 20 5 FDBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000182769001 535859854 /nfs/dbraw/zinc/85/98/54/535859854.db2.gz QRPYEZQWADWLQM-CHWSQXEVSA-N 0 1 356.448 1.469 20 5 FDBDMN COc1ccc(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000186888630 536247547 /nfs/dbraw/zinc/24/75/47/536247547.db2.gz PNTQJNVZRTZMKN-GFCCVEGCSA-N 0 1 351.403 1.521 20 5 FDBDMN CCc1n[nH]c(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000188287785 536288916 /nfs/dbraw/zinc/28/89/16/536288916.db2.gz UICOMYUUGJICRE-JHJVBQTASA-N 0 1 365.434 1.594 20 5 FDBDMN O=C1[C@H](N2CCC[C@@H](Cn3ccnn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246532654 536974180 /nfs/dbraw/zinc/97/41/80/536974180.db2.gz CPJQASGCSPIUSM-RHSMWYFYSA-N 0 1 370.413 1.704 20 5 FDBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000246757029 537019453 /nfs/dbraw/zinc/01/94/53/537019453.db2.gz QFDUZQPGLLADGA-GDBMZVCRSA-N 0 1 350.375 1.426 20 5 FDBDMN CN(Cc1ccc([S@@](C)=O)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246997053 537065541 /nfs/dbraw/zinc/06/55/41/537065541.db2.gz KLSZYDXMQQUGHX-JBEBIEQOSA-N 0 1 352.416 1.022 20 5 FDBDMN CN1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000247878187 537156397 /nfs/dbraw/zinc/15/63/97/537156397.db2.gz YYUNSWHXYDEHHT-SMDDNHRTSA-N 0 1 351.313 1.771 20 5 FDBDMN C[N@@H+]1CC[C@H](NC(=O)c2[n-]ncc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000247878187 537156401 /nfs/dbraw/zinc/15/64/01/537156401.db2.gz YYUNSWHXYDEHHT-SMDDNHRTSA-N 0 1 351.313 1.771 20 5 FDBDMN C[N@H+]1CC[C@H](NC(=O)c2[n-]ncc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000247878187 537156403 /nfs/dbraw/zinc/15/64/03/537156403.db2.gz YYUNSWHXYDEHHT-SMDDNHRTSA-N 0 1 351.313 1.771 20 5 FDBDMN Cc1cc(C)c(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000191798516 537212711 /nfs/dbraw/zinc/21/27/11/537212711.db2.gz IXPQTKCQHJFEQQ-UHFFFAOYSA-N 0 1 351.388 1.868 20 5 FDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000249315294 537233544 /nfs/dbraw/zinc/23/35/44/537233544.db2.gz FIJXTSKFABLPQQ-ZIAGYGMSSA-N 0 1 364.446 1.699 20 5 FDBDMN COc1ccc(S(=O)(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000270597521 537360385 /nfs/dbraw/zinc/36/03/85/537360385.db2.gz UYRRAWSLZUQNBD-VIFPVBQESA-N 0 1 369.403 1.884 20 5 FDBDMN CN(C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCSC1 ZINC000276389500 537469004 /nfs/dbraw/zinc/46/90/04/537469004.db2.gz ZWHCNXNJNXCDJH-CQSZACIVSA-N 0 1 359.473 1.848 20 5 FDBDMN COc1c(F)cc(S(=O)(=O)N2CCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000275076165 537537101 /nfs/dbraw/zinc/53/71/01/537537101.db2.gz MDGGZSPNTXHTBJ-JTQLQIEISA-N 0 1 361.395 1.457 20 5 FDBDMN CC(C)(CN1CCOCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000308675917 537604536 /nfs/dbraw/zinc/60/45/36/537604536.db2.gz ODXHINIGQGRMEU-UHFFFAOYSA-N 0 1 361.395 1.123 20 5 FDBDMN CC(C)N(C)C[C@@H](C)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000291790380 537677198 /nfs/dbraw/zinc/67/71/98/537677198.db2.gz GKAJPFZYQJDOFB-LLVKDONJSA-N 0 1 357.432 1.457 20 5 FDBDMN CCOCc1nc([C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)no1 ZINC000291794769 537677341 /nfs/dbraw/zinc/67/73/41/537677341.db2.gz GPZRGMWXELKPQC-MRVPVSSYSA-N 0 1 360.330 1.882 20 5 FDBDMN CCOC(=O)c1ccnc(N2CCC[C@H](c3n[nH]c(=O)o3)C2)c1[N+](=O)[O-] ZINC000285491171 537721257 /nfs/dbraw/zinc/72/12/57/537721257.db2.gz DQVVJWSOLLOIFI-VIFPVBQESA-N 0 1 363.330 1.227 20 5 FDBDMN C[C@@H]1CN(c2cccc(F)c2)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292277318 537724061 /nfs/dbraw/zinc/72/40/61/537724061.db2.gz LGXLXYSZOBDGJB-CXAGYDPISA-N 0 1 363.393 1.502 20 5 FDBDMN COC(=O)c1ncsc1S(=O)(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000391367287 537770983 /nfs/dbraw/zinc/77/09/83/537770983.db2.gz GPVKFSCPRWFOTG-UHFFFAOYSA-N 0 1 357.369 1.316 20 5 FDBDMN CCCc1[nH]nc(C(=O)N2CCc3nn(C(C)C)c(=O)cc3C2)c1[N+](=O)[O-] ZINC000371190193 537771525 /nfs/dbraw/zinc/77/15/25/537771525.db2.gz JVVAUNNEHJAPCZ-UHFFFAOYSA-N 0 1 374.401 1.607 20 5 FDBDMN CCc1ncc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000414298551 537777149 /nfs/dbraw/zinc/77/71/49/537777149.db2.gz IZZBHGIDHCLHPS-UHFFFAOYSA-N 0 1 365.415 1.015 20 5 FDBDMN C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419170252 537972170 /nfs/dbraw/zinc/97/21/70/537972170.db2.gz VSQKSDZXFGSIHP-VHSXEESVSA-N 0 1 354.794 1.073 20 5 FDBDMN COc1ccc(NC(=O)C(=O)N2CCN(C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000439347239 538171618 /nfs/dbraw/zinc/17/16/18/538171618.db2.gz OLQOABREWCPNIH-LLVKDONJSA-N 0 1 350.375 1.095 20 5 FDBDMN C[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](C(N)=O)C1 ZINC000451051189 538181715 /nfs/dbraw/zinc/18/17/15/538181715.db2.gz AVFXDFBPLFKPRS-MEBBXXQBSA-N 0 1 357.370 1.711 20 5 FDBDMN C[C@@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)N(C)C ZINC000451925324 538336587 /nfs/dbraw/zinc/33/65/87/538336587.db2.gz GGRVKJDQXKFWDT-QMMMGPOBSA-N 0 1 366.237 1.586 20 5 FDBDMN O=C(N[C@H]1CCCN(CCCO)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000452378162 538386582 /nfs/dbraw/zinc/38/65/82/538386582.db2.gz VPUFUTAIIMONMJ-AWEZNQCLSA-N 0 1 373.413 1.357 20 5 FDBDMN O=C(c1cn[nH]c1-c1ccccn1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000486854166 538574356 /nfs/dbraw/zinc/57/43/56/538574356.db2.gz JJQIIQFTOPSZSY-UHFFFAOYSA-N 0 1 350.338 1.973 20 5 FDBDMN CN1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1=O ZINC000462362507 538618533 /nfs/dbraw/zinc/61/85/33/538618533.db2.gz QNXWJVIKCRXUCU-MRVPVSSYSA-N 0 1 368.198 1.411 20 5 FDBDMN CCNC(=O)[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462450529 538626206 /nfs/dbraw/zinc/62/62/06/538626206.db2.gz DRKDMXBZSVNDHH-LURJTMIESA-N 0 1 370.214 1.705 20 5 FDBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1NS(C)(=O)=O ZINC000483096991 538671122 /nfs/dbraw/zinc/67/11/22/538671122.db2.gz GRGMUJNCEYKIKB-MRVPVSSYSA-N 0 1 353.360 1.180 20 5 FDBDMN CNC(=O)[C@H](C)CN(C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000478032420 538711649 /nfs/dbraw/zinc/71/16/49/538711649.db2.gz IQPCABORSNSHBG-GHMZBOCLSA-N 0 1 352.391 1.244 20 5 FDBDMN CNC(=O)[C@H](C)CN(C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000478032422 538711983 /nfs/dbraw/zinc/71/19/83/538711983.db2.gz IQPCABORSNSHBG-MNOVXSKESA-N 0 1 352.391 1.244 20 5 FDBDMN COc1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)ccc1[N+](=O)[O-] ZINC000468861427 538759983 /nfs/dbraw/zinc/75/99/83/538759983.db2.gz GQEZRHQERWBYQJ-UHFFFAOYSA-N 0 1 351.340 1.503 20 5 FDBDMN O=C([O-])c1ccnc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000563958851 546754028 /nfs/dbraw/zinc/75/40/28/546754028.db2.gz AEQFQXARFDOTQC-ZIAGYGMSSA-N 0 1 372.381 1.735 20 5 FDBDMN Nc1nccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1[N+](=O)[O-] ZINC000564347879 546888510 /nfs/dbraw/zinc/88/85/10/546888510.db2.gz IBIMTNSUYJJXMV-SNVBAGLBSA-N 0 1 357.374 1.587 20 5 FDBDMN CNc1nccc(C(=O)NCCN2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000565493902 547372483 /nfs/dbraw/zinc/37/24/83/547372483.db2.gz WSCJBXSPAIMUFT-UHFFFAOYSA-N 0 1 361.446 2.440 20 5 FDBDMN C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000566361175 547729868 /nfs/dbraw/zinc/72/98/68/547729868.db2.gz DSLSPWXDSIGNAK-RDJZCZTQSA-N 0 1 374.393 1.962 20 5 FDBDMN COC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000567360033 548091955 /nfs/dbraw/zinc/09/19/55/548091955.db2.gz KUCPMGREXKNWNW-PBHICJAKSA-N 0 1 368.386 1.148 20 5 FDBDMN Cc1c(CNC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000568757446 548668077 /nfs/dbraw/zinc/66/80/77/548668077.db2.gz CZVZMZDGXVZJMA-CJNGLKHVSA-N 0 1 360.414 1.072 20 5 FDBDMN Cc1c(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000571714084 549740743 /nfs/dbraw/zinc/74/07/43/549740743.db2.gz ODYDZPARSDQNEC-XHDPSFHLSA-N 0 1 360.414 1.118 20 5 FDBDMN Cc1c(CNC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000571714084 549740747 /nfs/dbraw/zinc/74/07/47/549740747.db2.gz ODYDZPARSDQNEC-XHDPSFHLSA-N 0 1 360.414 1.118 20 5 FDBDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000574045371 550251571 /nfs/dbraw/zinc/25/15/71/550251571.db2.gz QDGHAYLKGNQNAV-MWLCHTKSSA-N 0 1 369.399 1.197 20 5 FDBDMN CN1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1(C)C ZINC000574050719 550252096 /nfs/dbraw/zinc/25/20/96/550252096.db2.gz KFYBTGFVSYYQHG-UHFFFAOYSA-N 0 1 350.375 1.288 20 5 FDBDMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576523056 550558598 /nfs/dbraw/zinc/55/85/98/550558598.db2.gz LNVNURIROJBJGH-UGFHNGPFSA-N 0 1 368.411 1.554 20 5 FDBDMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576523053 550558635 /nfs/dbraw/zinc/55/86/35/550558635.db2.gz LNVNURIROJBJGH-CQDKDKBSSA-N 0 1 368.411 1.554 20 5 FDBDMN O=C(N[C@H]1CCCc2cn[nH]c21)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000577133754 550624059 /nfs/dbraw/zinc/62/40/59/550624059.db2.gz CHZCFIMPVNSWOR-AWEZNQCLSA-N 0 1 369.381 1.396 20 5 FDBDMN COCC[C@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000577456891 550657808 /nfs/dbraw/zinc/65/78/08/550657808.db2.gz FQNOXRJXOCGGSG-INIZCTEOSA-N 0 1 353.375 1.327 20 5 FDBDMN O=C([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000579014569 550826540 /nfs/dbraw/zinc/82/65/40/550826540.db2.gz ZVSGBRYZJVEHEU-JSGCOSHPSA-N 0 1 369.399 1.198 20 5 FDBDMN Cc1c(-c2nc([C@@H](N)CC(C)C)no2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000579591529 550889927 /nfs/dbraw/zinc/88/99/27/550889927.db2.gz XGMWXZNNUHKQJJ-NSHDSACASA-N 0 1 369.403 1.647 20 5 FDBDMN CN(C)c1nccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000579871609 550919200 /nfs/dbraw/zinc/91/92/00/550919200.db2.gz UUWDFCXRKBXKPO-UHFFFAOYSA-N 0 1 371.806 1.583 20 5 FDBDMN COc1ccc(CSCC(=O)N(C)Cc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000580501986 550988356 /nfs/dbraw/zinc/98/83/56/550988356.db2.gz YNMFNNMELIDGRN-UHFFFAOYSA-N 0 1 351.388 1.613 20 5 FDBDMN CNC(=O)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Cc1ccc(F)cc1C ZINC000580555690 550994627 /nfs/dbraw/zinc/99/46/27/550994627.db2.gz VRTOHQAZUREXQR-NSHDSACASA-N 0 1 363.349 1.100 20 5 FDBDMN O=C(N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586808067 551620964 /nfs/dbraw/zinc/62/09/64/551620964.db2.gz NALGHRNAMOTSLE-JTQLQIEISA-N 0 1 366.700 1.143 20 5 FDBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](CCNC(C)=O)C2)c1[N+](=O)[O-] ZINC000588783833 551687392 /nfs/dbraw/zinc/68/73/92/551687392.db2.gz UFOSIDYHYNTSQZ-GFCCVEGCSA-N 0 1 351.407 1.649 20 5 FDBDMN COc1cc(CN2CC[C@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000588978102 551702605 /nfs/dbraw/zinc/70/26/05/551702605.db2.gz ZPDRIWZAVHOHNM-SECBINFHSA-N 0 1 359.329 1.902 20 5 FDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[C@@](O)(C(F)(F)F)C2)s1 ZINC000589922933 551751631 /nfs/dbraw/zinc/75/16/31/551751631.db2.gz RCEMPGFXNUCSCO-MUWHJKNJSA-N 0 1 360.335 1.781 20 5 FDBDMN COc1c(F)cc(S(=O)(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000589926585 551752152 /nfs/dbraw/zinc/75/21/52/551752152.db2.gz WFPMUOKJOQTDKS-ZANVPECISA-N 0 1 359.379 1.067 20 5 FDBDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)CN1CCCC1 ZINC000590765561 551814625 /nfs/dbraw/zinc/81/46/25/551814625.db2.gz BLBZAWCGDQEAKF-UHFFFAOYSA-N 0 1 357.432 1.756 20 5 FDBDMN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000590874712 551824570 /nfs/dbraw/zinc/82/45/70/551824570.db2.gz KJLZCOSHISQJID-CQSZACIVSA-N 0 1 357.414 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UWKIPCXFVZADIV-QWRGUYRKSA-N 0 1 361.358 1.890 20 5 FDBDMN CNc1nccc(C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)c1[N+](=O)[O-] ZINC000557433258 544290851 /nfs/dbraw/zinc/29/08/51/544290851.db2.gz DLOKTDCIDRNXHR-OAHLLOKOSA-N 0 1 373.413 2.073 20 5 FDBDMN COCCN1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000299236518 258982236 /nfs/dbraw/zinc/98/22/36/258982236.db2.gz URTOYOXJUBGTIW-UHFFFAOYSA-N 0 1 373.413 1.575 20 5 FDBDMN Cc1nn(C)c(NCCCN2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000299594764 259009264 /nfs/dbraw/zinc/00/92/64/259009264.db2.gz UHHQIYMMVCQGOI-UHFFFAOYSA-N 0 1 359.434 1.656 20 5 FDBDMN Nc1nc(N2CCC(CCCN3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000302008401 259037619 /nfs/dbraw/zinc/03/76/19/259037619.db2.gz BJJUHLBMWXKGPG-UHFFFAOYSA-N 0 1 350.423 1.296 20 5 FDBDMN CNS(=O)(=O)[C@@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000302103204 259039227 /nfs/dbraw/zinc/03/92/27/259039227.db2.gz VZFFZRVHJCLFPT-GFCCVEGCSA-N 0 1 350.400 1.579 20 5 FDBDMN CCc1[nH]nc(C(=O)N2CCC(C(=O)N(CC)CC)CC2)c1[N+](=O)[O-] ZINC000330674653 259157251 /nfs/dbraw/zinc/15/72/51/259157251.db2.gz INXAFGBBBUVIQM-UHFFFAOYSA-N 0 1 351.407 1.601 20 5 FDBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c1[N+](=O)[O-] ZINC000331391702 259191754 /nfs/dbraw/zinc/19/17/54/259191754.db2.gz MNTYCCXRVALZMD-GFCCVEGCSA-N 0 1 363.418 1.745 20 5 FDBDMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000332199767 259249143 /nfs/dbraw/zinc/24/91/43/259249143.db2.gz ZUCYASLUOXTFJN-CYBMUJFWSA-N 0 1 365.434 1.238 20 5 FDBDMN COC(=O)[C@]1(C)CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000367232777 260013763 /nfs/dbraw/zinc/01/37/63/260013763.db2.gz WZBXCZYOTANTIR-KZULUSFZSA-N 0 1 361.398 1.615 20 5 FDBDMN CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)CC1 ZINC000367589242 260065362 /nfs/dbraw/zinc/06/53/62/260065362.db2.gz OYPJLKVGJYMOAG-CQSZACIVSA-N 0 1 362.430 1.543 20 5 FDBDMN CCC(=O)N1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000368762486 260232944 /nfs/dbraw/zinc/23/29/44/260232944.db2.gz QUEUCRXLGBAYEG-OAHLLOKOSA-N 0 1 351.403 1.279 20 5 FDBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](N3CCCCC3=O)C2)c1[N+](=O)[O-] ZINC000369249918 260322418 /nfs/dbraw/zinc/32/24/18/260322418.db2.gz MUQPEQYTLPDIRM-LBPRGKRZSA-N 0 1 363.418 1.888 20 5 FDBDMN O=C1[C@H](N2CCN([C@H]3CCC[C@@H]3O)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000369267906 260326314 /nfs/dbraw/zinc/32/63/14/260326314.db2.gz FOTCVPHAXVAOSZ-KSZLIROESA-N 0 1 374.441 1.231 20 5 FDBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN([C@@H]4CCC[C@H]4O)CC3)o2)cc1 ZINC000369278792 260331594 /nfs/dbraw/zinc/33/15/94/260331594.db2.gz JKRGYEOWJGNMOE-HZPDHXFCSA-N 0 1 373.413 1.676 20 5 FDBDMN CCCc1[nH]nc(C(=O)N2CCc3nn(CC)c(=O)cc3C2)c1[N+](=O)[O-] ZINC000369379562 260352570 /nfs/dbraw/zinc/35/25/70/260352570.db2.gz MPZXXBKVLTUBPW-UHFFFAOYSA-N 0 1 360.374 1.046 20 5 FDBDMN CCN1C(=O)[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000369425385 260365021 /nfs/dbraw/zinc/36/50/21/260365021.db2.gz JUIZOOSNRDDVFQ-HNNXBMFYSA-N 0 1 362.386 1.332 20 5 FDBDMN Cc1cc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375090139 261266105 /nfs/dbraw/zinc/26/61/05/261266105.db2.gz MYECMXKRORAAPK-GFCCVEGCSA-N 0 1 364.402 1.329 20 5 FDBDMN Cc1c([N+](=O)[O-])cc(C(=O)N2CCCN([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000375514550 261358818 /nfs/dbraw/zinc/35/88/18/261358818.db2.gz YHGLTMMWXLWBKE-LLVKDONJSA-N 0 1 366.374 1.340 20 5 FDBDMN Cn1cc([C@H]2[C@@H](CNC(=O)c3cccc([N+](=O)[O-])c3N)CCCN2C)cn1 ZINC000377980242 261931027 /nfs/dbraw/zinc/93/10/27/261931027.db2.gz YOCRGVKWQWKWAE-SJKOYZFVSA-N 0 1 372.429 1.723 20 5 FDBDMN COc1cc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])cc1OC ZINC000378352635 262010226 /nfs/dbraw/zinc/01/02/26/262010226.db2.gz YTNUKMCSKMHJJZ-GDBMZVCRSA-N 0 1 365.430 1.643 20 5 FDBDMN Cc1[nH]nc(C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000408081821 262078778 /nfs/dbraw/zinc/07/87/78/262078778.db2.gz WOWPYTJGQVBWGM-LLVKDONJSA-N 0 1 363.418 1.737 20 5 FDBDMN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1nnc[nH]1 ZINC000271164112 674316945 /nfs/dbraw/zinc/31/69/45/674316945.db2.gz RKJQTBRDFGWESL-JTQLQIEISA-N 0 1 366.403 1.671 20 5 FDBDMN CN(C)CCNS(=O)(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000008054845 518451795 /nfs/dbraw/zinc/45/17/95/518451795.db2.gz ROODNTAWVIDFNV-UHFFFAOYSA-N 0 1 370.475 1.815 20 5 FDBDMN Cc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)ccc1[N+](=O)[O-] ZINC000023318178 518945512 /nfs/dbraw/zinc/94/55/12/518945512.db2.gz JFKCTCIDLWXEAY-UHFFFAOYSA-N 0 1 369.425 1.980 20 5 FDBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCCC[C@@H]1C ZINC000058561887 522277790 /nfs/dbraw/zinc/27/77/90/522277790.db2.gz KHURPPDCGGBGNW-LBPRGKRZSA-N 0 1 357.432 1.756 20 5 FDBDMN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000047270461 522486467 /nfs/dbraw/zinc/48/64/67/522486467.db2.gz SHZJYXDBWOFGNB-CHWSQXEVSA-N 0 1 361.354 1.258 20 5 FDBDMN CC(C)CN1CCO[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2F)C1 ZINC000047355014 522500793 /nfs/dbraw/zinc/50/07/93/522500793.db2.gz NSKOIHUYYGIAPW-CQSZACIVSA-N 0 1 369.393 1.586 20 5 FDBDMN COc1ccccc1[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCCC1 ZINC000048313070 522713186 /nfs/dbraw/zinc/71/31/86/522713186.db2.gz VNGKEQZVZIWFDB-AWEZNQCLSA-N 0 1 374.401 1.148 20 5 FDBDMN Cc1c(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cccc1[N+](=O)[O-] ZINC000048329326 522716016 /nfs/dbraw/zinc/71/60/16/522716016.db2.gz YLZBQBUNUVIJGR-UHFFFAOYSA-N 0 1 369.425 1.980 20 5 FDBDMN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000049048083 522807085 /nfs/dbraw/zinc/80/70/85/522807085.db2.gz ZSNRQYKIPRGGSO-HNNXBMFYSA-N 0 1 364.402 1.006 20 5 FDBDMN CS(=O)(=O)c1ccc(NCCCCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000052308783 523156351 /nfs/dbraw/zinc/15/63/51/523156351.db2.gz PEVCGNJHRQBNSJ-UHFFFAOYSA-N 0 1 357.432 1.523 20 5 FDBDMN CCN1CCN(c2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)cn2)CC1 ZINC000076804256 523190063 /nfs/dbraw/zinc/19/00/63/523190063.db2.gz UDQNFICFXCCAAW-UHFFFAOYSA-N 0 1 358.406 1.116 20 5 FDBDMN O=C(NCc1ccc(-n2cncn2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000053544207 523459646 /nfs/dbraw/zinc/45/96/46/523459646.db2.gz OUYNMEZEGJISBI-UHFFFAOYSA-N 0 1 363.337 1.982 20 5 FDBDMN CCN(CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000067548254 523491243 /nfs/dbraw/zinc/49/12/43/523491243.db2.gz SNRAFZXAGIMUMV-LLVKDONJSA-N 0 1 357.432 1.458 20 5 FDBDMN COc1cc(CCN[C@@H](C(N)=O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000054612355 523663856 /nfs/dbraw/zinc/66/38/56/523663856.db2.gz BCRMSPOSOYHKKH-QGZVFWFLSA-N 0 1 359.382 1.971 20 5 FDBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)NCc1ccco1 ZINC000068276731 523748539 /nfs/dbraw/zinc/74/85/39/523748539.db2.gz INJWQENZFSJVED-VIFPVBQESA-N 0 1 357.326 1.499 20 5 FDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1C(N)=O ZINC000068367185 523770266 /nfs/dbraw/zinc/77/02/66/523770266.db2.gz DKLIRUMHTHQONK-ZDUSSCGKSA-N 0 1 350.375 1.272 20 5 FDBDMN CS(=O)(=O)NC[C@@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055901676 523873928 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0 1 366.374 1.520 20 5 FDBDMN COC[C@@H](CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])OC ZINC000272975040 674494215 /nfs/dbraw/zinc/49/42/15/674494215.db2.gz XNTRBMAYNDSMGC-LLVKDONJSA-N 0 1 364.345 1.998 20 5 FDBDMN CN(C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000739667130 602542024 /nfs/dbraw/zinc/54/20/24/602542024.db2.gz YFZOAUAVLBIPHA-GFCCVEGCSA-N 0 1 350.375 1.855 20 5 FDBDMN CCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)[O-])C1 ZINC000739353592 602547004 /nfs/dbraw/zinc/54/70/04/602547004.db2.gz KFTISAFEJJZFCX-LBPRGKRZSA-N 0 1 350.375 1.998 20 5 FDBDMN CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)[O-])C1 ZINC000739353592 602547007 /nfs/dbraw/zinc/54/70/07/602547007.db2.gz KFTISAFEJJZFCX-LBPRGKRZSA-N 0 1 350.375 1.998 20 5 FDBDMN CN(C(=O)[O-])C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000737939869 602706784 /nfs/dbraw/zinc/70/67/84/602706784.db2.gz QMSXUUKEHLRVIA-HNNXBMFYSA-N 0 1 362.386 1.774 20 5 FDBDMN 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553124165 /nfs/dbraw/zinc/12/41/65/553124165.db2.gz BKBOHOUIGGTBJM-CQSZACIVSA-N 0 1 351.403 1.973 20 5 FDBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000599786655 553147136 /nfs/dbraw/zinc/14/71/36/553147136.db2.gz JXQUVEYVEFFBHU-HNNXBMFYSA-N 0 1 363.418 1.619 20 5 FDBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000599790188 553148753 /nfs/dbraw/zinc/14/87/53/553148753.db2.gz AYADUVRWVYZHIL-AWEZNQCLSA-N 0 1 363.418 1.673 20 5 FDBDMN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599939292 553179458 /nfs/dbraw/zinc/17/94/58/553179458.db2.gz VFSKYEVWAAUQHM-HZPDHXFCSA-N 0 1 371.397 1.062 20 5 FDBDMN O=C(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000600232292 553233752 /nfs/dbraw/zinc/23/37/52/553233752.db2.gz IWIIQSDJZOJNSM-PRHODGIISA-N 0 1 356.260 1.982 20 5 FDBDMN CCOc1ccc(C(=O)NCCCN2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000600231991 553233760 /nfs/dbraw/zinc/23/37/60/553233760.db2.gz IAUFVZOUOHPZFJ-ZDUSSCGKSA-N 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COc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000603421793 553784103 /nfs/dbraw/zinc/78/41/03/553784103.db2.gz CQFBNPLOIAXYFQ-HNNXBMFYSA-N 0 1 364.446 1.812 20 5 FDBDMN COc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC000603421793 553784104 /nfs/dbraw/zinc/78/41/04/553784104.db2.gz CQFBNPLOIAXYFQ-HNNXBMFYSA-N 0 1 364.446 1.812 20 5 FDBDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000603422324 553784295 /nfs/dbraw/zinc/78/42/95/553784295.db2.gz GAJALFWZJMFDNP-HNNXBMFYSA-N 0 1 366.466 1.328 20 5 FDBDMN O=[N+]([O-])c1cccc(F)c1N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000603423264 553784847 /nfs/dbraw/zinc/78/48/47/553784847.db2.gz NOUMZTSUHNOTTR-CQSZACIVSA-N 0 1 352.410 1.942 20 5 FDBDMN C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccsc1 ZINC000603555855 553800803 /nfs/dbraw/zinc/80/08/03/553800803.db2.gz OFBYWRCIOHASDU-CYBMUJFWSA-N 0 1 371.440 1.943 20 5 FDBDMN O=C(NC[C@@H](O)COc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000603613001 553806105 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