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CNC(=O)C[C@@H](C)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000836988913 588939765 /nfs/dbraw/zinc/93/97/65/588939765.db2.gz VTYPAVQADKTLOO-RNCFNFMXSA-N 0 0 334.332 0.729 20 5 ECBDRN C[C@@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000837924897 588965238 /nfs/dbraw/zinc/96/52/38/588965238.db2.gz SWNOMMAYNZIEGU-SNVBAGLBSA-N 0 0 343.380 0.491 20 5 ECBDRN C/C(=C\C(=O)N1CCN(CC(N)=O)C(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000837971664 588967641 /nfs/dbraw/zinc/96/76/41/588967641.db2.gz NFQFGHUXXFHIPA-DHZHZOJOSA-N 0 0 346.343 0.154 20 5 ECBDRN CCC[C@@H](O)[C@H](CO)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000840553279 588969972 /nfs/dbraw/zinc/96/99/72/588969972.db2.gz YGFKYKWBYUXAFQ-WCQYABFASA-N 0 0 340.332 0.424 20 5 ECBDRN C[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)NC(=O)NCc1ccccc1 ZINC000840671929 588971218 /nfs/dbraw/zinc/97/12/18/588971218.db2.gz HCFDQZBRAXHNLG-MVWJERBFSA-N 0 0 335.316 0.609 20 5 ECBDRN COc1ccc(S(C)(=O)=O)cc1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841197866 588981798 /nfs/dbraw/zinc/98/17/98/588981798.db2.gz WNAXSMIEPNGQRM-GHMZBOCLSA-N 0 0 329.330 0.807 20 5 ECBDRN O=C(OC[C@@]1(O)CCOC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000842381233 589029811 /nfs/dbraw/zinc/02/98/11/589029811.db2.gz CFWUTAVJBKOMBL-CQSZACIVSA-N 0 0 334.288 0.484 20 5 ECBDRN O=C(COC(=O)[C@]1(O)CCOC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000840693043 586168673 /nfs/dbraw/zinc/16/86/73/586168673.db2.gz RVYREURWYBVBJN-ZDUSSCGKSA-N 0 0 344.707 0.881 20 5 ECBDRN C[C@H](OC(=O)CN1C(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026140014 586304490 /nfs/dbraw/zinc/30/44/90/586304490.db2.gz ZDRKRPMVFMMJEE-VIFPVBQESA-N 0 0 349.299 0.614 20 5 ECBDRN CN(C)C(=O)NCCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000842981599 589045212 /nfs/dbraw/zinc/04/52/12/589045212.db2.gz GJMIDYRJAPYMIK-UHFFFAOYSA-N 0 0 325.277 0.752 20 5 ECBDRN C[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)NC(N)=O ZINC000024721086 586345932 /nfs/dbraw/zinc/34/59/32/586345932.db2.gz DODBDQMUZROQIG-ZETCQYMHSA-N 0 0 327.318 0.814 20 5 ECBDRN C[C@]1(OC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CNC(=O)C1 ZINC000838997531 586832686 /nfs/dbraw/zinc/83/26/86/586832686.db2.gz VQVVCQZHNULQIS-CQSZACIVSA-N 0 0 331.288 0.611 20 5 ECBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OCCOCCNC(N)=O ZINC000839023612 586835459 /nfs/dbraw/zinc/83/54/59/586835459.db2.gz KKEWAPCPYIXNGO-UHFFFAOYSA-N 0 0 327.293 0.445 20 5 ECBDRN COC[C@](C)(O)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000745318632 586863440 /nfs/dbraw/zinc/86/34/40/586863440.db2.gz QSJTXSYYMFJDMS-XPTSAGLGSA-N 0 0 326.305 0.862 20 5 ECBDRN O=C(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000839609438 586885444 /nfs/dbraw/zinc/88/54/44/586885444.db2.gz ARGGYZNASWDBJX-HUUCEWRRSA-N 0 0 346.387 0.507 20 5 ECBDRN C[C@@H](NC(=O)COC(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)N(C)C ZINC000758112676 586896121 /nfs/dbraw/zinc/89/61/21/586896121.db2.gz GAWGBUBJZQUYHA-MRVPVSSYSA-N 0 0 341.295 0.484 20 5 ECBDRN Cn1ncc(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n1 ZINC000805214056 586900287 /nfs/dbraw/zinc/90/02/87/586900287.db2.gz NHUVYBZTRFDJGD-UHFFFAOYSA-N 0 0 339.333 0.057 20 5 ECBDRN NC(=O)CN1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1=O ZINC000839800222 586905970 /nfs/dbraw/zinc/90/59/70/586905970.db2.gz VGKHKXBJSAEATE-UHFFFAOYSA-N 0 0 340.723 0.018 20 5 ECBDRN CN1CCC[C@H](OC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1=O ZINC000778763174 586928138 /nfs/dbraw/zinc/92/81/38/586928138.db2.gz STCNQNFKDRWBEK-ZDUSSCGKSA-N 0 0 345.315 0.953 20 5 ECBDRN O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000843665196 589077073 /nfs/dbraw/zinc/07/70/73/589077073.db2.gz DSULDBJYWVFBOY-KFWWJZLASA-N 0 0 329.356 0.884 20 5 ECBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC(CCO)C1 ZINC000800631710 586969995 /nfs/dbraw/zinc/96/99/95/586969995.db2.gz VUZVJCQAOCONNF-UHFFFAOYSA-N 0 0 325.296 0.822 20 5 ECBDRN CS(=O)(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000800631973 586970297 /nfs/dbraw/zinc/97/02/97/586970297.db2.gz OKVCWSZPDOWXQT-LLVKDONJSA-N 0 0 343.317 0.762 20 5 ECBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC(S(C)(=O)=O)C1 ZINC000800871342 586975623 /nfs/dbraw/zinc/97/56/23/586975623.db2.gz HKIARDKGEVQFJU-UHFFFAOYSA-N 0 0 334.375 0.232 20 5 ECBDRN C[C@H](O)[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000839924163 586978176 /nfs/dbraw/zinc/97/81/76/586978176.db2.gz BCWVQAVUDFVCMG-IINYFYTJSA-N 0 0 334.332 0.553 20 5 ECBDRN C[C@H](O)[C@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCO1 ZINC000839928185 586980953 /nfs/dbraw/zinc/98/09/53/586980953.db2.gz QPYZCLREVURPMF-COLVAYQJSA-N 0 0 349.343 0.696 20 5 ECBDRN CS(=O)(=O)c1ccc(C(=O)N[C@@H](CCO)C2CC2)cc1[N+](=O)[O-] ZINC000801169970 586983380 /nfs/dbraw/zinc/98/33/80/586983380.db2.gz FFLVOPVGLVKWGX-NSHDSACASA-N 0 0 342.373 0.889 20 5 ECBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1ncnn1CCF ZINC000801244393 586987171 /nfs/dbraw/zinc/98/71/71/586987171.db2.gz USOCOOCSTQSUJS-UHFFFAOYSA-N 0 0 326.288 0.794 20 5 ECBDRN CS(=O)(=O)N1CC[C@H](COC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000801286126 586989089 /nfs/dbraw/zinc/98/90/89/586989089.db2.gz NANOUBXAQXRTSG-VIFPVBQESA-N 0 0 329.334 0.428 20 5 ECBDRN NS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000801438402 586995365 /nfs/dbraw/zinc/99/53/65/586995365.db2.gz DLHKHGQGLPVFPJ-JTQLQIEISA-N 0 0 344.345 0.968 20 5 ECBDRN CCN1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1=O ZINC000801792630 587003421 /nfs/dbraw/zinc/00/34/21/587003421.db2.gz FZWDENOOSRJPRS-NSHDSACASA-N 0 0 325.296 0.850 20 5 ECBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CN(C)CCO1 ZINC000801928721 587005735 /nfs/dbraw/zinc/00/57/35/587005735.db2.gz XWZTYTZGVRVUAS-OQPBUACISA-N 0 0 326.328 0.765 20 5 ECBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](O)COCC1CC1 ZINC000801924715 587005889 /nfs/dbraw/zinc/00/58/89/587005889.db2.gz YTNAKNGEICERJL-SECBINFHSA-N 0 0 327.312 0.833 20 5 ECBDRN CCOC[C@H](C(=O)OC)N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801921678 587006051 /nfs/dbraw/zinc/00/60/51/587006051.db2.gz JFKNLCSRKGVSHO-GFCCVEGCSA-N 0 0 343.311 0.966 20 5 ECBDRN C[C@@H](CCS(C)(=O)=O)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801925259 587006062 /nfs/dbraw/zinc/00/60/62/587006062.db2.gz JVNKOFLWCBBEDW-ZETCQYMHSA-N 0 0 333.341 0.869 20 5 ECBDRN Cc1c([N+](=O)[O-])cc(C(=O)OCC(=O)c2cnnn2C)cc1[N+](=O)[O-] ZINC000803284852 587057532 /nfs/dbraw/zinc/05/75/32/587057532.db2.gz GQTUAQOHHZRRQJ-UHFFFAOYSA-N 0 0 349.259 0.980 20 5 ECBDRN NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000804299940 587082736 /nfs/dbraw/zinc/08/27/36/587082736.db2.gz IAQKWGWZQBNBOY-SCZZXKLOSA-N 0 0 325.346 0.867 20 5 ECBDRN CC[S@@](=O)CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804445586 587085443 /nfs/dbraw/zinc/08/54/43/587085443.db2.gz IOWAXZRMZURBFZ-JOCHJYFZSA-N 0 0 326.378 0.966 20 5 ECBDRN Nc1cc(NCCS(=O)(=O)CC2CC2)cc(CO)c1[N+](=O)[O-] ZINC000804558973 587088193 /nfs/dbraw/zinc/08/81/93/587088193.db2.gz OAKVWAVDOVHHNX-UHFFFAOYSA-N 0 0 329.378 0.906 20 5 ECBDRN Cn1cnc(CCCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])n1 ZINC000843974099 589085269 /nfs/dbraw/zinc/08/52/69/589085269.db2.gz HIICARXFBAAOGF-UHFFFAOYSA-N 0 0 347.331 0.664 20 5 ECBDRN NC(=O)C[C@@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000807909589 587138863 /nfs/dbraw/zinc/13/88/63/587138863.db2.gz DZCYPAKAWHKNRN-JTQLQIEISA-N 0 0 331.332 0.668 20 5 ECBDRN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCN2CCNC2=O)C1=O ZINC000808022317 587142340 /nfs/dbraw/zinc/14/23/40/587142340.db2.gz CTJRHEPGCUGGTK-OAHLLOKOSA-N 0 0 347.331 0.387 20 5 ECBDRN NC(=O)C[C@@H]1CCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000808227474 587150478 /nfs/dbraw/zinc/15/04/78/587150478.db2.gz NCNYHRQPBPYORT-JTQLQIEISA-N 0 0 347.331 0.566 20 5 ECBDRN NC(=O)C[C@H]1CCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000808227190 587150522 /nfs/dbraw/zinc/15/05/22/587150522.db2.gz MDDYYPWHABRKGK-GFCCVEGCSA-N 0 0 347.375 0.992 20 5 ECBDRN O=C(CN1CC[C@@H](CO)[C@H](O)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000808750497 587160957 /nfs/dbraw/zinc/16/09/57/587160957.db2.gz KXYXBXNVZYGAJT-TVQRCGJNSA-N 0 0 343.767 0.862 20 5 ECBDRN O=C1CO[C@H]2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@@H]2N1 ZINC000840153140 587166709 /nfs/dbraw/zinc/16/67/09/587166709.db2.gz PAEMYOQUEQACFL-JSGCOSHPSA-N 0 0 331.332 0.491 20 5 ECBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)O[C@H]1CCC(=O)NC1 ZINC000809019337 587168334 /nfs/dbraw/zinc/16/83/34/587168334.db2.gz WCZRZHVCDJXPOD-JTQLQIEISA-N 0 0 349.299 0.142 20 5 ECBDRN CN(C)C(=O)[C@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000840176297 587177744 /nfs/dbraw/zinc/17/77/44/587177744.db2.gz ZZDHMZJBTDRFBG-JTQLQIEISA-N 0 0 334.332 0.870 20 5 ECBDRN CO[C@@H]1COC[C@H]1NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000844027092 589089583 /nfs/dbraw/zinc/08/95/83/589089583.db2.gz JMRMVMMLQGLXSB-RKDXNWHRSA-N 0 0 346.137 0.896 20 5 ECBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cnnn2C)cc1[N+](=O)[O-] ZINC000810372233 587194084 /nfs/dbraw/zinc/19/40/84/587194084.db2.gz CWTTTYVHAZSEEO-SECBINFHSA-N 0 0 332.320 0.848 20 5 ECBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@]1(C)CCOC1=O ZINC000810476451 587196884 /nfs/dbraw/zinc/19/68/84/587196884.db2.gz PEDOLHWOMDARFO-HNNXBMFYSA-N 0 0 335.316 0.972 20 5 ECBDRN O=C(OCCn1ccc([N+](=O)[O-])n1)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000811237993 587215469 /nfs/dbraw/zinc/21/54/69/587215469.db2.gz FELUEUZKXFEXLU-INIZCTEOSA-N 0 0 344.327 0.792 20 5 ECBDRN CON(C)C(=O)C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000812712894 587241987 /nfs/dbraw/zinc/24/19/87/587241987.db2.gz WELVSLCSQAAUHN-UHFFFAOYSA-N 0 0 325.325 0.050 20 5 ECBDRN C[C@H](COC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)[N+](=O)[O-] ZINC000813104556 587247990 /nfs/dbraw/zinc/24/79/90/587247990.db2.gz DUYBTXBALHKILT-SNVBAGLBSA-N 0 0 327.337 0.792 20 5 ECBDRN COCCNS(=O)(=O)c1ccc(C(=O)OC[C@H](C)[N+](=O)[O-])cc1 ZINC000813111140 587248531 /nfs/dbraw/zinc/24/85/31/587248531.db2.gz ONDDSIXOGCAELS-JTQLQIEISA-N 0 0 346.361 0.433 20 5 ECBDRN COCCS(=O)(=O)c1ccc(C(=O)OC[C@H](C)[N+](=O)[O-])cc1 ZINC000813106531 587248617 /nfs/dbraw/zinc/24/86/17/587248617.db2.gz CWADHQZJNYSSPF-JTQLQIEISA-N 0 0 331.346 0.929 20 5 ECBDRN C[C@@H](COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[N+](=O)[O-] ZINC000813106513 587248624 /nfs/dbraw/zinc/24/86/24/587248624.db2.gz CUJMPWYHEKUEAO-ZETCQYMHSA-N 0 0 337.244 0.399 20 5 ECBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000813292174 587250288 /nfs/dbraw/zinc/25/02/88/587250288.db2.gz LMLYQANHKBKJNM-UHFFFAOYSA-N 0 0 332.316 0.807 20 5 ECBDRN O=C(Cn1cnc(NC(=O)[C@@H]2CC2[N+](=O)[O-])n1)NCc1ccccc1 ZINC000840307726 587266608 /nfs/dbraw/zinc/26/66/08/587266608.db2.gz JCXOSCNUCXPFDI-VXGBXAGGSA-N 0 0 344.331 0.198 20 5 ECBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000814036107 587268592 /nfs/dbraw/zinc/26/85/92/587268592.db2.gz SHHMGQYUELBSSM-VIFPVBQESA-N 0 0 340.292 0.602 20 5 ECBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000814046662 587268863 /nfs/dbraw/zinc/26/88/63/587268863.db2.gz MZNXTAVALHOXJE-VIFPVBQESA-N 0 0 341.345 0.276 20 5 ECBDRN COC(=O)c1cc(C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)c[nH]1 ZINC000814532595 587276205 /nfs/dbraw/zinc/27/62/05/587276205.db2.gz ZHAXVBRPEHWTRG-UHFFFAOYSA-N 0 0 335.272 0.728 20 5 ECBDRN COc1ccc(COC(=O)CCn2ncn(C)c2=O)cc1[N+](=O)[O-] ZINC000815270101 587286244 /nfs/dbraw/zinc/28/62/44/587286244.db2.gz AIKPXGPGJYXEAA-UHFFFAOYSA-N 0 0 336.304 0.632 20 5 ECBDRN CCn1nncc1C(=O)OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000815952061 587303302 /nfs/dbraw/zinc/30/33/02/587303302.db2.gz YDKZSOXAQIYGLE-UHFFFAOYSA-N 0 0 348.319 0.574 20 5 ECBDRN CN1CC[C@H](OC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1=O ZINC000816449905 587312745 /nfs/dbraw/zinc/31/27/45/587312745.db2.gz JYYIKPXZGISYPE-ZDUSSCGKSA-N 0 0 349.343 0.819 20 5 ECBDRN COC(=O)[C@H]1[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000816962298 587330677 /nfs/dbraw/zinc/33/06/77/587330677.db2.gz PVXLWNXDASASGS-MSRIBSCDSA-N 0 0 338.291 0.990 20 5 ECBDRN Cn1cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O ZINC000817038097 587331869 /nfs/dbraw/zinc/33/18/69/587331869.db2.gz GNGGLCIQWAYBKI-UHFFFAOYSA-N 0 0 346.343 0.657 20 5 ECBDRN CON(C)C(=O)CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000817791024 587384546 /nfs/dbraw/zinc/38/45/46/587384546.db2.gz PHPDZNVOABVUOV-UHFFFAOYSA-N 0 0 325.325 0.326 20 5 ECBDRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840367525 587453341 /nfs/dbraw/zinc/45/33/41/587453341.db2.gz KFCJYPJGLOCYAN-OASPWFOLSA-N 0 0 349.343 0.972 20 5 ECBDRN O=C1C[C@@H](Oc2ccc(NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc2)N1 ZINC000819490111 587480627 /nfs/dbraw/zinc/48/06/27/587480627.db2.gz UCIQWSGAEDYYKT-SWLSCSKDSA-N 0 0 347.331 0.489 20 5 ECBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN(C=O)CC1 ZINC000819744921 587488700 /nfs/dbraw/zinc/48/87/00/587488700.db2.gz IVYXIQZWDXQEOW-UHFFFAOYSA-N 0 0 327.362 0.756 20 5 ECBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C2N=NC(=O)O2)CC1 ZINC000820068329 587506939 /nfs/dbraw/zinc/50/69/39/587506939.db2.gz PEQQJBOQDKKAPN-UHFFFAOYSA-N 0 0 334.292 0.680 20 5 ECBDRN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nn[nH]n2)c1 ZINC000820334956 587528420 /nfs/dbraw/zinc/52/84/20/587528420.db2.gz ROGKJRVANGUJDS-VIFPVBQESA-N 0 0 342.319 0.849 20 5 ECBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1CN(C)CCO1 ZINC000820461306 587534991 /nfs/dbraw/zinc/53/49/91/587534991.db2.gz GZPHAODNLXZOHE-ZANVPECISA-N 0 0 333.352 0.906 20 5 ECBDRN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840410276 587574899 /nfs/dbraw/zinc/57/48/99/587574899.db2.gz YGUCPDJLAURXQV-ZWNOBZJWSA-N 0 0 329.316 0.883 20 5 ECBDRN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000821475775 587594895 /nfs/dbraw/zinc/59/48/95/587594895.db2.gz KVDSQOUZJPPCDR-LLVKDONJSA-N 0 0 339.279 0.238 20 5 ECBDRN CC(CO)(CO)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000821571199 587601104 /nfs/dbraw/zinc/60/11/04/587601104.db2.gz DVTFMMZGSIUUEK-UHFFFAOYSA-N 0 0 331.712 0.046 20 5 ECBDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000821621163 587606541 /nfs/dbraw/zinc/60/65/41/587606541.db2.gz IRQUFMNKWDLNCG-UHFFFAOYSA-N 0 0 345.377 0.999 20 5 ECBDRN CC(C)(CCC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)[N+](=O)[O-] ZINC000822432182 587659241 /nfs/dbraw/zinc/65/92/41/587659241.db2.gz AEPXDZBOWUJQMX-NSHDSACASA-N 0 0 335.426 0.752 20 5 ECBDRN Cn1c(CO)nnc1Sc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000822595616 587667658 /nfs/dbraw/zinc/66/76/58/587667658.db2.gz ARBIBWNYYKKJAZ-UHFFFAOYSA-N 0 0 334.321 0.547 20 5 ECBDRN NC(=O)C[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000822864879 587685576 /nfs/dbraw/zinc/68/55/76/587685576.db2.gz NZWHZIBECUWWQT-SECBINFHSA-N 0 0 331.336 0.867 20 5 ECBDRN NC(=O)CC1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000822864517 587686063 /nfs/dbraw/zinc/68/60/63/587686063.db2.gz CFZVYGRBLICJDX-UHFFFAOYSA-N 0 0 331.336 0.867 20 5 ECBDRN NC(=O)C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000822865211 587686654 /nfs/dbraw/zinc/68/66/54/587686654.db2.gz YALWMRSRSQUTQU-SECBINFHSA-N 0 0 331.336 0.867 20 5 ECBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823216021 587710887 /nfs/dbraw/zinc/71/08/87/587710887.db2.gz WDBTWMFKKAIHNE-UHFFFAOYSA-N 0 0 343.303 0.912 20 5 ECBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[C@@H](N2CCOCC2)C1 ZINC000823619877 587734322 /nfs/dbraw/zinc/73/43/22/587734322.db2.gz CLCNWQMCXHCFAD-SNVBAGLBSA-N 0 0 346.351 0.081 20 5 ECBDRN O=[N+]([O-])c1ccc2nc(N3CC[C@H](O)C3)cc(-c3nn[nH]n3)c2c1 ZINC000823645537 587736189 /nfs/dbraw/zinc/73/61/89/587736189.db2.gz TTWHQYAXXGXJMT-VIFPVBQESA-N 0 0 327.304 0.894 20 5 ECBDRN CS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823945009 587845613 /nfs/dbraw/zinc/84/56/13/587845613.db2.gz IOSCPHLYSSVMMR-VIFPVBQESA-N 0 0 328.350 0.828 20 5 ECBDRN O=Cc1ccc(OCC(=O)N2CCO[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000840484079 587848821 /nfs/dbraw/zinc/84/88/21/587848821.db2.gz OKIOEPXVCHRWQY-LLVKDONJSA-N 0 0 326.280 0.983 20 5 ECBDRN CC(C)C(=O)NCCN(C)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824184765 587859215 /nfs/dbraw/zinc/85/92/15/587859215.db2.gz KZBZANRMFKKQCH-UHFFFAOYSA-N 0 0 334.340 0.378 20 5 ECBDRN C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824505895 587878237 /nfs/dbraw/zinc/87/82/37/587878237.db2.gz JGAKDISOVCGGRP-MRVPVSSYSA-N 0 0 342.319 0.999 20 5 ECBDRN CC(C)(O)CNC(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC000826122512 587993939 /nfs/dbraw/zinc/99/39/39/587993939.db2.gz ZTSXGGKKBRJVGR-UHFFFAOYSA-N 0 0 343.286 0.920 20 5 ECBDRN CCOC(=O)Cc1ccc(N2CC[C@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000826130275 587995880 /nfs/dbraw/zinc/99/58/80/587995880.db2.gz DXENRSLOFCUVSI-WFASDCNBSA-N 0 0 338.360 0.880 20 5 ECBDRN Nc1nc(N2CCc3ccc(-c4nn[nH]n4)cc32)ncc1[N+](=O)[O-] ZINC000826396358 588041514 /nfs/dbraw/zinc/04/15/14/588041514.db2.gz UELCOVXLDNTMFF-UHFFFAOYSA-N 0 0 325.292 0.841 20 5 ECBDRN O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000826438476 588051361 /nfs/dbraw/zinc/05/13/61/588051361.db2.gz DZAMGQWOSIMWQT-UHFFFAOYSA-N 0 0 344.291 0.307 20 5 ECBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCN([C@@H]2CCOC2)CC1 ZINC000826497464 588064361 /nfs/dbraw/zinc/06/43/61/588064361.db2.gz IGOZTOYEVIKBRI-SNVBAGLBSA-N 0 0 346.351 0.081 20 5 ECBDRN Cn1cc(N2CCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000826740357 588081280 /nfs/dbraw/zinc/08/12/80/588081280.db2.gz FRIBOYZQIBLWBV-HNNXBMFYSA-N 0 0 345.359 0.711 20 5 ECBDRN CC(C)(CCC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O)[N+](=O)[O-] ZINC000826860626 588087272 /nfs/dbraw/zinc/08/72/72/588087272.db2.gz KQXWZQRGJBIDIC-GHMZBOCLSA-N 0 0 335.426 0.656 20 5 ECBDRN COC[C@@](C)(CC(=O)OC)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826876930 588087784 /nfs/dbraw/zinc/08/77/84/588087784.db2.gz PWYHFDVPJOGPAJ-DZGCQCFKSA-N 0 0 340.332 0.713 20 5 ECBDRN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000827053359 588097601 /nfs/dbraw/zinc/09/76/01/588097601.db2.gz KYQAURYPTXBCQQ-VNHYZAJKSA-N 0 0 333.344 0.898 20 5 ECBDRN COC[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)OC ZINC000828006309 588152090 /nfs/dbraw/zinc/15/20/90/588152090.db2.gz MSYHXVOEVMUKMC-JTQLQIEISA-N 0 0 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ECBDRN CS(=O)(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596078268 438921936 /nfs/dbraw/zinc/92/19/36/438921936.db2.gz UWFDAGZMBSGTBW-SECBINFHSA-N 0 0 342.377 0.212 20 5 ECBDRN CCc1ccc(S(=O)(=O)NCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000516766515 438924854 /nfs/dbraw/zinc/92/48/54/438924854.db2.gz XKIJCJJXPSEAES-UHFFFAOYSA-N 0 0 325.350 0.764 20 5 ECBDRN Nc1ccc(NC[C@H](O)COc2ccc3c(c2)OCO3)nc1[N+](=O)[O-] ZINC000596090953 438924972 /nfs/dbraw/zinc/92/49/72/438924972.db2.gz SQQCSJKNRUXMIT-VIFPVBQESA-N 0 0 348.315 1.153 20 5 ECBDRN Nc1ccc(NC[C@@]2(N3CCOCC3)CCSC2)nc1[N+](=O)[O-] ZINC000596090537 438925779 /nfs/dbraw/zinc/92/57/79/438925779.db2.gz XOIBFBYSOLGGLK-AWEZNQCLSA-N 0 0 339.421 1.192 20 5 ECBDRN COc1cc(C(=O)NCCc2nc(N)n[nH]2)c([N+](=O)[O-])cc1OC ZINC000590551090 438930771 /nfs/dbraw/zinc/93/07/71/438930771.db2.gz JXTMMAXSENGOFF-UHFFFAOYSA-N 0 0 336.308 0.285 20 5 ECBDRN CNc1nccc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)c1[N+](=O)[O-] ZINC000578519685 438930839 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COC(=O)c1cc(C)nc(N[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000283568241 264130506 /nfs/dbraw/zinc/13/05/06/264130506.db2.gz NXLWNBHPRDCOGP-QMMMGPOBSA-N 0 0 329.334 0.684 20 5 ECBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000283613277 264134047 /nfs/dbraw/zinc/13/40/47/264134047.db2.gz NNOXQBOYOQMKMO-UHFFFAOYSA-N 0 0 332.316 0.709 20 5 ECBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCOC(=O)C1CC1 ZINC000283759600 264149428 /nfs/dbraw/zinc/14/94/28/264149428.db2.gz RLIDAOKHBCPTEM-UHFFFAOYSA-N 0 0 335.316 0.394 20 5 ECBDRN CN1CCO[C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284228428 264187638 /nfs/dbraw/zinc/18/76/38/264187638.db2.gz VPUOSVNVLKJVIW-UKRRQHHQSA-N 0 0 335.360 0.905 20 5 ECBDRN COC(=O)C(=O)CCCn1cc(C(=O)OC)cc([N+](=O)[O-])c1=O ZINC000285062229 264274479 /nfs/dbraw/zinc/27/44/79/264274479.db2.gz HAJUSECCBDJVNW-UHFFFAOYSA-N 0 0 326.261 0.065 20 5 ECBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccnc(NC(=O)C2CC2)c1 ZINC000285771301 264339309 /nfs/dbraw/zinc/33/93/09/264339309.db2.gz NDPPSFSLFZBYPJ-UHFFFAOYSA-N 0 0 344.331 0.965 20 5 ECBDRN CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000285932195 264352325 /nfs/dbraw/zinc/35/23/25/264352325.db2.gz OJFCFIZNCUACOD-PWSUYJOCSA-N 0 0 328.369 0.456 20 5 ECBDRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000286054429 264365420 /nfs/dbraw/zinc/36/54/20/264365420.db2.gz BDJHWPSQILHUDF-SECBINFHSA-N 0 0 345.352 0.473 20 5 ECBDRN CCC[C@H](NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)C(N)=O ZINC000286181169 264377892 /nfs/dbraw/zinc/37/78/92/264377892.db2.gz ANZMPQUYZRGJAZ-VIFPVBQESA-N 0 0 325.321 0.996 20 5 ECBDRN COc1ccc(C(=O)NCC(=O)N(C)C[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000286272640 264384941 /nfs/dbraw/zinc/38/49/41/264384941.db2.gz FUBXIFFQRZYXMB-SNVBAGLBSA-N 0 0 339.348 0.827 20 5 ECBDRN CN(CCC(N)=O)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286264350 264385122 /nfs/dbraw/zinc/38/51/22/264385122.db2.gz RLGMWVJVFJYWSM-UHFFFAOYSA-N 0 0 340.361 0.120 20 5 ECBDRN COC(=O)COCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000288284483 264518275 /nfs/dbraw/zinc/51/82/75/264518275.db2.gz AWPBXNRIDSXQFH-UHFFFAOYSA-N 0 0 340.288 0.884 20 5 ECBDRN CC(C)(CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)OCCO ZINC000292029355 264757439 /nfs/dbraw/zinc/75/74/39/264757439.db2.gz GNGRHDFGWUHKGY-UHFFFAOYSA-N 0 0 349.347 0.693 20 5 ECBDRN COCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)OC ZINC000292287318 264784544 /nfs/dbraw/zinc/78/45/44/264784544.db2.gz YPGJTQAQWUPZAL-SNVBAGLBSA-N 0 0 329.284 0.624 20 5 ECBDRN O=C(NC[C@@H](CO)Cc1cccnc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000294527721 265001720 /nfs/dbraw/zinc/00/17/20/265001720.db2.gz LWPINBQFXLUSPX-NSHDSACASA-N 0 0 332.316 0.671 20 5 ECBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC000294530208 265002334 /nfs/dbraw/zinc/00/23/34/265002334.db2.gz LNGHLAAZCJFKAW-CQSZACIVSA-N 0 0 349.343 0.295 20 5 ECBDRN CCOC1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000294665248 265014658 /nfs/dbraw/zinc/01/46/58/265014658.db2.gz FDOFANUFXZMMJJ-UHFFFAOYSA-N 0 0 328.346 0.859 20 5 ECBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000294727999 265020693 /nfs/dbraw/zinc/02/06/93/265020693.db2.gz ZDCYWKAZAIJNBL-GFCCVEGCSA-N 0 0 333.344 0.916 20 5 ECBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000294728005 265021103 /nfs/dbraw/zinc/02/11/03/265021103.db2.gz ZDCYWKAZAIJNBL-LBPRGKRZSA-N 0 0 333.344 0.916 20 5 ECBDRN Cn1cnn(CCC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1=O ZINC000295061376 265041986 /nfs/dbraw/zinc/04/19/86/265041986.db2.gz ZVYWGRXNKHHRLQ-UHFFFAOYSA-N 0 0 347.331 0.170 20 5 ECBDRN C[C@]1(F)CNCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000295189860 265051641 /nfs/dbraw/zinc/05/16/41/265051641.db2.gz IRUNJPJEPOKJAJ-HNNXBMFYSA-N 0 0 348.338 0.949 20 5 ECBDRN CC[C@@H](CNS(C)(=O)=O)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000295561492 265070600 /nfs/dbraw/zinc/07/06/00/265070600.db2.gz IECQKYDALSHLMF-JTQLQIEISA-N 0 0 329.378 0.961 20 5 ECBDRN Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCCNC2=O)c1[N+](=O)[O-] ZINC000295646737 265072169 /nfs/dbraw/zinc/07/21/69/265072169.db2.gz DYASBGMOWSJQRG-JTQLQIEISA-N 0 0 327.362 0.769 20 5 ECBDRN COc1ccc(S(=O)(=O)N2CC(=O)N[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000295914704 265083460 /nfs/dbraw/zinc/08/34/60/265083460.db2.gz FAFCEJPLXWVIOR-QMMMGPOBSA-N 0 0 329.334 0.112 20 5 ECBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(=O)N[C@H](C)C1 ZINC000295918840 265085797 /nfs/dbraw/zinc/08/57/97/265085797.db2.gz FGCIMCPVHOADOV-MRVPVSSYSA-N 0 0 329.334 0.112 20 5 ECBDRN COC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000296751767 265114694 /nfs/dbraw/zinc/11/46/94/265114694.db2.gz CBSKJFRYVQHEAX-ZDUSSCGKSA-N 0 0 349.343 0.797 20 5 ECBDRN CC(C)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O ZINC000296801029 265119088 /nfs/dbraw/zinc/11/90/88/265119088.db2.gz UDVVPCUUVZQNCF-UHFFFAOYSA-N 0 0 327.318 0.264 20 5 ECBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1n[nH]nc1C(=O)NC1CC1 ZINC000297798138 265179307 /nfs/dbraw/zinc/17/93/07/265179307.db2.gz SAWOGNFWRJDHKH-UHFFFAOYSA-N 0 0 330.304 0.786 20 5 ECBDRN CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000297873216 265193682 /nfs/dbraw/zinc/19/36/82/265193682.db2.gz MVDGAGIRLNVFRZ-JTQLQIEISA-N 0 0 336.348 0.791 20 5 ECBDRN CC(C)C(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000298296968 265235972 /nfs/dbraw/zinc/23/59/72/265235972.db2.gz HUHQAZWMMJCEKG-UHFFFAOYSA-N 0 0 336.348 0.083 20 5 ECBDRN NC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000298301680 265237654 /nfs/dbraw/zinc/23/76/54/265237654.db2.gz LLQDBIAJBRHESV-NSHDSACASA-N 0 0 334.332 0.049 20 5 ECBDRN CCN(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000298408346 265249353 /nfs/dbraw/zinc/24/93/53/265249353.db2.gz XCTKPJBZQYGKIJ-UHFFFAOYSA-N 0 0 330.366 0.523 20 5 ECBDRN CN1CC(=O)N(CCCC(=O)NCc2ccccc2[N+](=O)[O-])C1=O ZINC000298642872 265270274 /nfs/dbraw/zinc/27/02/74/265270274.db2.gz LJNRMQJAXKXHFJ-UHFFFAOYSA-N 0 0 334.332 0.885 20 5 ECBDRN CC(=O)N1CCN(CCNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000298791953 265281317 /nfs/dbraw/zinc/28/13/17/265281317.db2.gz YEBFKHIVHIHRBN-UHFFFAOYSA-N 0 0 334.376 0.797 20 5 ECBDRN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000298797342 265282416 /nfs/dbraw/zinc/28/24/16/265282416.db2.gz FCHASBXDBBFUSV-JTQLQIEISA-N 0 0 343.361 0.503 20 5 ECBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC(=O)N(C2CC2)C1 ZINC000298890152 265294551 /nfs/dbraw/zinc/29/45/51/265294551.db2.gz LCIJXKOASABESU-UHFFFAOYSA-N 0 0 346.343 0.941 20 5 ECBDRN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000298898728 265295979 /nfs/dbraw/zinc/29/59/79/265295979.db2.gz YRMKTGGTBMGXBX-MRVPVSSYSA-N 0 0 327.318 0.160 20 5 ECBDRN NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000298946160 265306205 /nfs/dbraw/zinc/30/62/05/265306205.db2.gz JAGVAEIXMPGSLW-SSDOTTSWSA-N 0 0 340.723 0.521 20 5 ECBDRN COc1ccc(CNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000298958738 265308638 /nfs/dbraw/zinc/30/86/38/265308638.db2.gz WTKLDUWMDHQNIC-JTQLQIEISA-N 0 0 343.361 0.590 20 5 ECBDRN COc1ccc(CNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000298958741 265309217 /nfs/dbraw/zinc/30/92/17/265309217.db2.gz WTKLDUWMDHQNIC-SNVBAGLBSA-N 0 0 343.361 0.590 20 5 ECBDRN O=C(N[C@H]1CCCCNC1=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000298974699 265312930 /nfs/dbraw/zinc/31/29/30/265312930.db2.gz OJIFVBNNSHWWDZ-JTQLQIEISA-N 0 0 335.316 0.765 20 5 ECBDRN O=C(Cn1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cn1)NC1CC1 ZINC000299024131 265322091 /nfs/dbraw/zinc/32/20/91/265322091.db2.gz WADSHSYKRJWQFL-UHFFFAOYSA-N 0 0 346.303 0.423 20 5 ECBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCSCC1 ZINC000299064794 265328557 /nfs/dbraw/zinc/32/85/57/265328557.db2.gz QNVRKISFRNZUND-UHFFFAOYSA-N 0 0 335.341 0.766 20 5 ECBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000299154000 265343759 /nfs/dbraw/zinc/34/37/59/265343759.db2.gz ZPXAOOPPTCYBCP-ZDUSSCGKSA-N 0 0 349.391 0.946 20 5 ECBDRN Cn1cnc([N+](=O)[O-])c1NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000299207795 265350385 /nfs/dbraw/zinc/35/03/85/265350385.db2.gz AUEPYXZHRIGALF-VIFPVBQESA-N 0 0 336.304 0.909 20 5 ECBDRN COc1ccc(S(=O)(=O)NC[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000299233959 265353686 /nfs/dbraw/zinc/35/36/86/265353686.db2.gz RDBXIWCFEHVFPA-SNVBAGLBSA-N 0 0 329.378 0.976 20 5 ECBDRN CC(C)(CN1CCOCC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000413392633 277299081 /nfs/dbraw/zinc/29/90/81/277299081.db2.gz JEVXMKSVZHQYHH-UHFFFAOYSA-N 0 0 340.384 0.201 20 5 ECBDRN CC(=O)N1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000194338007 278003361 /nfs/dbraw/zinc/00/33/61/278003361.db2.gz JGHLNTFOWLQZMI-UHFFFAOYSA-N 0 0 345.352 0.977 20 5 ECBDRN CC[C@@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181900020 280230988 /nfs/dbraw/zinc/23/09/88/280230988.db2.gz DTGWZXBBUHMYSA-CYBMUJFWSA-N 0 0 341.389 0.579 20 5 ECBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)CN1CCO ZINC000416662625 288241719 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/nfs/dbraw/zinc/11/82/56/437118256.db2.gz SILBSTKCDFOVOD-MRXNPFEDSA-N 0 0 343.343 0.787 20 5 ECBDRN CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1=O ZINC000265629695 437164502 /nfs/dbraw/zinc/16/45/02/437164502.db2.gz DQCNSLAWKKSBML-ZDUSSCGKSA-N 0 0 348.359 0.404 20 5 ECBDRN Cc1c(C(=O)N2CCO[C@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265416116 437127537 /nfs/dbraw/zinc/12/75/37/437127537.db2.gz OQLAOPREFJBDPR-MRVPVSSYSA-N 0 0 343.361 0.412 20 5 ECBDRN C[C@@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)c1nncn1C ZINC000286801774 437133280 /nfs/dbraw/zinc/13/32/80/437133280.db2.gz WOCXHNNSNWJADD-QMMMGPOBSA-N 0 0 340.365 0.586 20 5 ECBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1[C@@H](CO)CC[C@@H]1CO ZINC000286838360 437136342 /nfs/dbraw/zinc/13/63/42/437136342.db2.gz WMLNTEKKFMLUFC-VXGBXAGGSA-N 0 0 330.362 0.410 20 5 ECBDRN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000276873971 437171655 /nfs/dbraw/zinc/17/16/55/437171655.db2.gz RPHZJXQMRPBAHJ-PWSUYJOCSA-N 0 0 338.316 0.660 20 5 ECBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(O)(CO)CC1 ZINC000313646554 437172985 /nfs/dbraw/zinc/17/29/85/437172985.db2.gz BHENTPGEXHDBAB-UHFFFAOYSA-N 0 0 330.362 0.411 20 5 ECBDRN O=C(CCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N1CCOCC1 ZINC000331990963 437190765 /nfs/dbraw/zinc/19/07/65/437190765.db2.gz HAIRLELYTHULLF-UHFFFAOYSA-N 0 0 348.359 0.514 20 5 ECBDRN C[C@@H]1COC[C@@H](C)N1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000265817032 437194511 /nfs/dbraw/zinc/19/45/11/437194511.db2.gz RVEDAHNZKDZNBW-NXEZZACHSA-N 0 0 347.327 0.827 20 5 ECBDRN O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCN1CCCS1(=O)=O ZINC000491336807 303526074 /nfs/dbraw/zinc/52/60/74/303526074.db2.gz XCPRFPMPQAZELQ-SREVYHEPSA-N 0 0 339.373 0.760 20 5 ECBDRN Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000318576918 437197318 /nfs/dbraw/zinc/19/73/18/437197318.db2.gz WTPNGPSCCHDXLH-GHMZBOCLSA-N 0 0 330.362 0.674 20 5 ECBDRN Cn1cc(NC(=O)C(=O)NCCNc2ccccc2[N+](=O)[O-])cn1 ZINC000177809875 437201898 /nfs/dbraw/zinc/20/18/98/437201898.db2.gz YNMFWSLNZKNQDX-UHFFFAOYSA-N 0 0 332.320 0.495 20 5 ECBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000287582566 437208843 /nfs/dbraw/zinc/20/88/43/437208843.db2.gz RBJXSCHATDVTOY-UHFFFAOYSA-N 0 0 331.332 0.982 20 5 ECBDRN COc1ccc(S(=O)(=O)N2C[C@H](CO)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000321371291 437211609 /nfs/dbraw/zinc/21/16/09/437211609.db2.gz CUMGBRWQSUCNIU-GXSJLCMTSA-N 0 0 346.361 0.374 20 5 ECBDRN NS(=O)(=O)c1cc(NC[C@@H](O)C2CCOCC2)cc([N+](=O)[O-])c1 ZINC000265639259 437166775 /nfs/dbraw/zinc/16/67/75/437166775.db2.gz RMGAITXTCZBEIQ-CYBMUJFWSA-N 0 0 345.377 0.442 20 5 ECBDRN C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O ZINC000265657248 437169751 /nfs/dbraw/zinc/16/97/51/437169751.db2.gz QEPWINHQILGFDD-JTQLQIEISA-N 0 0 348.402 0.544 20 5 ECBDRN CS(=O)(=O)NC[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000266943189 437268504 /nfs/dbraw/zinc/26/85/04/437268504.db2.gz XENMFNDJDPMLTF-LLVKDONJSA-N 0 0 331.398 0.195 20 5 ECBDRN CC(C)CN(CC(N)=O)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178631509 437221290 /nfs/dbraw/zinc/22/12/90/437221290.db2.gz XRSHPJLMDLJQKF-UHFFFAOYSA-N 0 0 329.378 0.868 20 5 ECBDRN COCC[C@H](CO)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000325635757 437230342 /nfs/dbraw/zinc/23/03/42/437230342.db2.gz VIGJWCBMOLSFNI-LLVKDONJSA-N 0 0 334.332 0.908 20 5 ECBDRN Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000277612941 437237418 /nfs/dbraw/zinc/23/74/18/437237418.db2.gz YDWQXIROEISIGM-NXEZZACHSA-N 0 0 336.753 0.283 20 5 ECBDRN Cc1cc([N+](=O)[O-])cc(C(=O)NCCN2CCCS2(=O)=O)c1F ZINC000277640170 437240090 /nfs/dbraw/zinc/24/00/90/437240090.db2.gz JZGAGBZEQACEPR-UHFFFAOYSA-N 0 0 345.352 0.808 20 5 ECBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NCCS(=O)(=O)NC(C)C ZINC000277654059 437241283 /nfs/dbraw/zinc/24/12/83/437241283.db2.gz VISKNZOUULRKOK-UHFFFAOYSA-N 0 0 345.377 0.661 20 5 ECBDRN CC(C)OCCN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000266832730 437250136 /nfs/dbraw/zinc/25/01/36/437250136.db2.gz ILGCJXFIXFZFEI-UHFFFAOYSA-N 0 0 337.380 0.636 20 5 ECBDRN CNC(=O)[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000179128971 437252310 /nfs/dbraw/zinc/25/23/10/437252310.db2.gz PCKUIKXYDMMYDH-AWEZNQCLSA-N 0 0 346.343 0.937 20 5 ECBDRN CCNC(=O)[C@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277841451 437258185 /nfs/dbraw/zinc/25/81/85/437258185.db2.gz SASGQMNKWDEZQG-QMMMGPOBSA-N 0 0 334.336 0.795 20 5 ECBDRN CCNC(=O)[C@@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277841443 437258429 /nfs/dbraw/zinc/25/84/29/437258429.db2.gz SASGQMNKWDEZQG-MRVPVSSYSA-N 0 0 334.336 0.795 20 5 ECBDRN Cc1cc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)c(N)c([N+](=O)[O-])c1 ZINC000267285693 437313729 /nfs/dbraw/zinc/31/37/29/437313729.db2.gz XCRRANZWXFVNIN-SNVBAGLBSA-N 0 0 334.332 0.751 20 5 ECBDRN C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000278474579 437315373 /nfs/dbraw/zinc/31/53/73/437315373.db2.gz DMXJGXIDKLGSKL-WVDJIFEKSA-N 0 0 332.403 0.984 20 5 ECBDRN COCCOCCCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000267334772 437321193 /nfs/dbraw/zinc/32/11/93/437321193.db2.gz JXVCSCYHXMXHKJ-UHFFFAOYSA-N 0 0 348.377 0.935 20 5 ECBDRN CCc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000266952489 437271070 /nfs/dbraw/zinc/27/10/70/437271070.db2.gz UBGQGDXHSUKYHJ-UHFFFAOYSA-N 0 0 346.343 0.971 20 5 ECBDRN COC(=O)[C@H](CF)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000288049975 437271341 /nfs/dbraw/zinc/27/13/41/437271341.db2.gz DUBPTHQYKGGTNT-JTQLQIEISA-N 0 0 348.308 0.239 20 5 ECBDRN C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000278010973 437271773 /nfs/dbraw/zinc/27/17/73/437271773.db2.gz MBMQJIHXYWTSJK-AOUSDQRYSA-N 0 0 347.418 0.447 20 5 ECBDRN O=C(NC[C@]1(O)CCSC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000266963839 437272425 /nfs/dbraw/zinc/27/24/25/437272425.db2.gz DSEAWMGYGNWNBE-CQSZACIVSA-N 0 0 349.372 0.773 20 5 ECBDRN CS(=O)(=O)[C@@H]1CCCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000278039675 437274435 /nfs/dbraw/zinc/27/44/35/437274435.db2.gz QMLWDNRMCZQEKE-SNVBAGLBSA-N 0 0 342.377 0.492 20 5 ECBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(CC(=O)NC2CC2)CC1 ZINC000288110872 437280929 /nfs/dbraw/zinc/28/09/29/437280929.db2.gz KSDQSKVSFNUOOQ-UHFFFAOYSA-N 0 0 336.396 0.520 20 5 ECBDRN COC(=O)[C@H](CC(F)(F)F)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278101894 437281887 /nfs/dbraw/zinc/28/18/87/437281887.db2.gz QYBUPGDXHAVVRS-LURJTMIESA-N 0 0 337.210 0.919 20 5 ECBDRN CCC[C@@H](NC(N)=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278122027 437283630 /nfs/dbraw/zinc/28/36/30/437283630.db2.gz LTTHHMBVYOMPRR-SNVBAGLBSA-N 0 0 334.336 0.924 20 5 ECBDRN COC(=O)CCC(=O)Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC000278179023 437288720 /nfs/dbraw/zinc/28/87/20/437288720.db2.gz AJKVVWWJKSSAIA-UHFFFAOYSA-N 0 0 335.272 0.934 20 5 ECBDRN CN(C)S(=O)(=O)NCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000288178954 437289744 /nfs/dbraw/zinc/28/97/44/437289744.db2.gz IYZMKZLVEKJOPJ-BQYQJAHWSA-N 0 0 342.377 0.120 20 5 ECBDRN C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000334005372 437293387 /nfs/dbraw/zinc/29/33/87/437293387.db2.gz RAZSXRSIWWJNDP-NWDGAFQWSA-N 0 0 334.376 0.876 20 5 ECBDRN Cn1ncc2c1ncn(C[C@@H](O)COc1ccccc1[N+](=O)[O-])c2=O ZINC000182202587 437342468 /nfs/dbraw/zinc/34/24/68/437342468.db2.gz MGPVWBJTMDHJLX-SNVBAGLBSA-N 0 0 345.315 0.478 20 5 ECBDRN CC[C@](C)(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000182199038 437342885 /nfs/dbraw/zinc/34/28/85/437342885.db2.gz IJRMQIKYEBYTCV-ZDUSSCGKSA-N 0 0 329.378 0.612 20 5 ECBDRN Cn1cnn(CC(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1=O ZINC000182347621 437347052 /nfs/dbraw/zinc/34/70/52/437347052.db2.gz QLTLBBNHIDEVKG-UHFFFAOYSA-N 0 0 328.288 0.677 20 5 ECBDRN COc1cc(S(=O)(=O)NCC(C)(C)OCCO)ccc1[N+](=O)[O-] ZINC000288714818 437347668 /nfs/dbraw/zinc/34/76/68/437347668.db2.gz YBLGOVNLQQTYPG-UHFFFAOYSA-N 0 0 348.377 0.669 20 5 ECBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCCCN1C(=O)CNC1=O ZINC000267981834 437349966 /nfs/dbraw/zinc/34/99/66/437349966.db2.gz LKZNPSVTXDBXRG-UHFFFAOYSA-N 0 0 334.332 0.586 20 5 ECBDRN CS(=O)(=O)CCOCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268023058 437356214 /nfs/dbraw/zinc/35/62/14/437356214.db2.gz CYDQVBCNXHOLRD-UHFFFAOYSA-N 0 0 344.389 0.705 20 5 ECBDRN NC(=O)[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2F)C1 ZINC000337368912 437356487 /nfs/dbraw/zinc/35/64/87/437356487.db2.gz RCEWNGKMXFGASE-SECBINFHSA-N 0 0 325.296 0.837 20 5 ECBDRN COC(=O)[C@]1(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCOC1 ZINC000268032535 437358183 /nfs/dbraw/zinc/35/81/83/437358183.db2.gz YMKUGLBSJYJAAZ-AWEZNQCLSA-N 0 0 342.279 0.561 20 5 ECBDRN CCc1n[nH]c(C(=O)N2C[C@@H](C)S(=O)(=O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000288804940 437358409 /nfs/dbraw/zinc/35/84/09/437358409.db2.gz UBYYDPMZEPLNAX-BDAKNGLRSA-N 0 0 344.393 0.918 20 5 ECBDRN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000288976468 437371927 /nfs/dbraw/zinc/37/19/27/437371927.db2.gz QWGQSYWGLLJICL-JOYOIKCWSA-N 0 0 328.346 0.523 20 5 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299920241 /nfs/dbraw/zinc/92/02/41/299920241.db2.gz MIOMWESLXVGTLM-NWDGAFQWSA-N 0 0 344.389 0.982 20 5 ECBDRN NS(=O)(=O)c1ccc(N2CCC[C@@H](OCCO)C2)c([N+](=O)[O-])c1 ZINC000265255142 295288383 /nfs/dbraw/zinc/28/83/83/295288383.db2.gz XGBHLQHWDZPEKN-SNVBAGLBSA-N 0 0 345.377 0.220 20 5 ECBDRN CS(=O)(=O)c1cccc(N2CCN3C(=O)OC[C@@H]3C2)c1[N+](=O)[O-] ZINC000494130954 295558918 /nfs/dbraw/zinc/55/89/18/295558918.db2.gz DNURZFWBRASGNU-VIFPVBQESA-N 0 0 341.345 0.639 20 5 ECBDRN O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c[nH]1 ZINC000336914112 297170967 /nfs/dbraw/zinc/17/09/67/297170967.db2.gz KRFJNHTXURLSLW-JTQLQIEISA-N 0 0 349.299 0.821 20 5 ECBDRN O=C(NC[C@@H](O)C1CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000337650491 297199602 /nfs/dbraw/zinc/19/96/02/297199602.db2.gz KXIRLWIVYMSNTL-GHMZBOCLSA-N 0 0 337.332 0.680 20 5 ECBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@H](O)C1CC1 ZINC000337649978 297199793 /nfs/dbraw/zinc/19/97/93/297199793.db2.gz KOJIPRFFOYKBDV-GFCCVEGCSA-N 0 0 335.316 0.207 20 5 ECBDRN C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C[C@H]1CO ZINC000338207029 297243713 /nfs/dbraw/zinc/24/37/13/297243713.db2.gz PNQOTQBCJXXMRO-KOLCDFICSA-N 0 0 342.373 0.699 20 5 ECBDRN C[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000338213067 297244485 /nfs/dbraw/zinc/24/44/85/297244485.db2.gz OOEMDTMVIGZSDZ-MWLCHTKSSA-N 0 0 342.373 0.841 20 5 ECBDRN CCOC[C@H](O)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000338222644 297245923 /nfs/dbraw/zinc/24/59/23/297245923.db2.gz LIFAIKKMENBRIT-SNVBAGLBSA-N 0 0 346.361 0.126 20 5 ECBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@](F)(CO)C1 ZINC000338432008 297269118 /nfs/dbraw/zinc/26/91/18/297269118.db2.gz UEYBHCBYHXNZAH-LBPRGKRZSA-N 0 0 334.325 0.698 20 5 ECBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(N(C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000338487199 297273064 /nfs/dbraw/zinc/27/30/64/297273064.db2.gz JOXGHMIOLNZHNS-NXEZZACHSA-N 0 0 339.348 0.703 20 5 ECBDRN COC[C@H](O)CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 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20 5 ECBDRN Cc1cc(C2(C(=O)N3CC(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)on1 ZINC001001799216 746732251 /nfs/dbraw/zinc/73/22/51/746732251.db2.gz LYJVZPGOYBXIMD-VXGBXAGGSA-N 0 0 348.359 0.254 20 5 ECBDRN Cc1cc(F)cc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001001801768 746733337 /nfs/dbraw/zinc/73/33/37/746733337.db2.gz CGNWBMUDJJTTDJ-ZIAGYGMSSA-N 0 0 335.335 0.988 20 5 ECBDRN O=C(NCC1CN(C(=O)c2c[nH]c3ncccc23)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001805779 746736598 /nfs/dbraw/zinc/73/65/98/746736598.db2.gz SCANBAMFUPTUFU-DGCLKSJQSA-N 0 0 343.343 0.416 20 5 ECBDRN O=C(NCC1CN(C(=O)c2cnn(C(F)F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001807682 746738304 /nfs/dbraw/zinc/73/83/04/746738304.db2.gz QQWJAKCNBNNQMX-NXEZZACHSA-N 0 0 343.290 0.132 20 5 ECBDRN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(Cl)[nH]1 ZINC000978798485 746739827 /nfs/dbraw/zinc/73/98/27/746739827.db2.gz HTURJLCUDDMGGT-PKIKSRDPSA-N 0 0 340.767 0.958 20 5 ECBDRN CCOC(=O)c1ccc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1 ZINC001168049003 747236517 /nfs/dbraw/zinc/23/65/17/747236517.db2.gz DXGZTVSKOOYXRA-IMJCEVDSSA-N 0 0 340.332 0.286 20 5 ECBDRN Cc1conc1C(=O)N(C)CCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001105461106 752164880 /nfs/dbraw/zinc/16/48/80/752164880.db2.gz JQTQXIBTYDQBMO-UHFFFAOYSA-N 0 0 335.324 0.472 20 5 ECBDRN CCCCC(=O)NCCN(CCOC)c1ncc([N+](=O)[O-])c(N)n1 ZINC001126201919 747289918 /nfs/dbraw/zinc/28/99/18/747289918.db2.gz GNJJKQFNMZNWBT-UHFFFAOYSA-N 0 0 340.384 0.726 20 5 ECBDRN Cn1cnc([N+](=O)[O-])c1CN1CCC(NC(=O)c2ccon2)CC1 ZINC001002394736 747290484 /nfs/dbraw/zinc/29/04/84/747290484.db2.gz MILCYRTXCRSWCQ-UHFFFAOYSA-N 0 0 334.336 0.711 20 5 ECBDRN CCCc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ccn1 ZINC001002530368 747477912 /nfs/dbraw/zinc/47/79/12/747477912.db2.gz RMLLGUMCWYOAQW-HUUCEWRRSA-N 0 0 346.387 0.888 20 5 ECBDRN O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ncoc1C1CC1 ZINC000979307460 747571170 /nfs/dbraw/zinc/57/11/70/747571170.db2.gz QPAPSGMEGTWLSW-SASUGWTJSA-N 0 0 348.359 0.842 20 5 ECBDRN COc1ncccc1CN1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002782177 747778109 /nfs/dbraw/zinc/77/81/09/747778109.db2.gz KGISYZRGQMVNBR-ZIAGYGMSSA-N 0 0 334.376 0.836 20 5 ECBDRN CC(=O)N1Cc2cnn(C3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)c2C1 ZINC001020828014 752225870 /nfs/dbraw/zinc/22/58/70/752225870.db2.gz YSPSMPKYWUILHZ-ZIAGYGMSSA-N 0 0 347.375 0.574 20 5 ECBDRN CCOCCOCC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001105415637 748140322 /nfs/dbraw/zinc/14/03/22/748140322.db2.gz CMYVGLOIMYQHAT-UHFFFAOYSA-N 0 0 340.380 0.938 20 5 ECBDRN O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cccc(=O)[nH]1 ZINC000979740943 748323710 /nfs/dbraw/zinc/32/37/10/748323710.db2.gz ZDFRSDRSKKBIAR-DNRKLUKYSA-N 0 0 334.332 0.077 20 5 ECBDRN Cc1cnc(N[C@H]2C[C@@H](NC(=O)CN3CCCC3=O)C2)c([N+](=O)[O-])c1 ZINC001059570426 748499321 /nfs/dbraw/zinc/49/93/21/748499321.db2.gz DJGVVUDUFJPDND-TXEJJXNPSA-N 0 0 347.375 0.980 20 5 ECBDRN Cn1cc(CC(=O)N[C@H]2C[C@@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)cn1 ZINC001059584857 748604552 /nfs/dbraw/zinc/60/45/52/748604552.db2.gz IUCBCYHFLRBSJC-PHIMTYICSA-N 0 0 346.347 0.731 20 5 ECBDRN O=C(N[C@@H]1C[C@@H](CNC(=O)C2C=CC=CC=C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000979885568 748623363 /nfs/dbraw/zinc/62/33/63/748623363.db2.gz CMWVKIYADRYXPI-NMFUWQPSSA-N 0 0 331.372 0.961 20 5 ECBDRN O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1[nH]nc2ccccc21 ZINC001004294421 749383136 /nfs/dbraw/zinc/38/31/36/749383136.db2.gz OEPOHWWRBWWNGV-DGCLKSJQSA-N 0 0 343.343 0.416 20 5 ECBDRN Nc1nccnc1C(=O)NC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001030168200 761961994 /nfs/dbraw/zinc/96/19/94/761961994.db2.gz UYTWUQHPJCFJAG-UHFFFAOYSA-N 0 0 328.332 0.581 20 5 ECBDRN COc1ccccc1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000980486827 749637142 /nfs/dbraw/zinc/63/71/42/749637142.db2.gz TZRATFHJVJDJTC-HBJVGIJOSA-N 0 0 347.371 0.985 20 5 ECBDRN Cc1c(C(=O)NC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)nnn1C ZINC001030174889 761981513 /nfs/dbraw/zinc/98/15/13/761981513.db2.gz QAGZRQZBIPZBNI-UHFFFAOYSA-N 0 0 330.348 0.646 20 5 ECBDRN CN(C(=O)c1cc[nH]n1)C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001005131678 750261226 /nfs/dbraw/zinc/26/12/26/750261226.db2.gz VIOYAFWWGUZIAJ-UHFFFAOYSA-N 0 0 347.379 0.788 20 5 ECBDRN Cc1ncoc1C(=O)N1CCCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000980911546 750343654 /nfs/dbraw/zinc/34/36/54/750343654.db2.gz BMLABVGKQQWECP-UHFFFAOYSA-N 0 0 348.363 0.973 20 5 ECBDRN Cc1cc(N(C)CCN(C)C(=O)c2nccnc2N)ncc1[N+](=O)[O-] ZINC001105351224 750462888 /nfs/dbraw/zinc/46/28/88/750462888.db2.gz HLMMWWYAKNOYHB-UHFFFAOYSA-N 0 0 345.363 0.879 20 5 ECBDRN Cc1cc(C(=O)N(C)CCN(C)c2ncc([N+](=O)[O-])c(N)n2)ccn1 ZINC001105447184 750471774 /nfs/dbraw/zinc/47/17/74/750471774.db2.gz SVERRIZHDBJAOD-UHFFFAOYSA-N 0 0 345.363 0.879 20 5 ECBDRN Cn1nnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC001059789409 750666140 /nfs/dbraw/zinc/66/61/40/750666140.db2.gz CQRLJKASRKTFID-DTORHVGOSA-N 0 0 335.299 0.630 20 5 ECBDRN O=C(N[C@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1)c1c[nH]c(=O)cn1 ZINC001059798723 750795832 /nfs/dbraw/zinc/79/58/32/750795832.db2.gz CQLDRPLYTABMAS-OCAPTIKFSA-N 0 0 346.303 0.152 20 5 ECBDRN COCCN(CCNC(=O)c1cn(C)nn1)c1ccc([N+](=O)[O-])cc1 ZINC001126315538 750858345 /nfs/dbraw/zinc/85/83/45/750858345.db2.gz QFMWBDHLANBIFT-UHFFFAOYSA-N 0 0 348.363 0.606 20 5 ECBDRN CN(CC1CCN(C(=O)c2cccnn2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000988614383 752382536 /nfs/dbraw/zinc/38/25/36/752382536.db2.gz WEFFEERCMVQHQO-TZMCWYRMSA-N 0 0 347.375 0.452 20 5 ECBDRN CC(C)(C)OC(=O)[C@H](CC(N)=O)Nc1nccc(N)c1[N+](=O)[O-] ZINC001167921948 753072177 /nfs/dbraw/zinc/07/21/77/753072177.db2.gz QICYXVALDCZGDY-QMMMGPOBSA-N 0 0 325.325 0.570 20 5 ECBDRN COc1cc(C(=O)N(C)CCN(C)c2ncccc2[N+](=O)[O-])ncn1 ZINC001105472973 753444865 /nfs/dbraw/zinc/44/48/65/753444865.db2.gz MKZNNEIUQGXCTI-UHFFFAOYSA-N 0 0 346.347 0.997 20 5 ECBDRN Cc1ncc(CC(=O)N(C)CCN(C)c2ncc([N+](=O)[O-])c(N)n2)o1 ZINC001105484948 753711396 /nfs/dbraw/zinc/71/13/96/753711396.db2.gz KLUMPLRUWRHPRU-UHFFFAOYSA-N 0 0 349.351 0.401 20 5 ECBDRN CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)Cn1ncn(C)c1=O ZINC001105498349 753741105 /nfs/dbraw/zinc/74/11/05/753741105.db2.gz BDYRDGSFFFQSSN-UHFFFAOYSA-N 0 0 348.363 0.085 20 5 ECBDRN Cc1n[nH]cc1C(=O)N(C)CCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001105516925 753778195 /nfs/dbraw/zinc/77/81/95/753778195.db2.gz FRGQXKXWTCJFJC-UHFFFAOYSA-N 0 0 334.336 0.935 20 5 ECBDRN COc1nn(C)cc1C(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001105519435 753780600 /nfs/dbraw/zinc/78/06/00/753780600.db2.gz UJTGARARZRXYQL-UHFFFAOYSA-N 0 0 348.363 0.940 20 5 ECBDRN CN(CCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-])C(=O)CCn1ccnc1 ZINC001105520698 753789349 /nfs/dbraw/zinc/78/93/49/753789349.db2.gz KJDJWBDLVTYOLS-UHFFFAOYSA-N 0 0 348.363 0.877 20 5 ECBDRN Cc1nc(N(C)CCN(C)C(=O)c2cnn(C)c2N)ccc1[N+](=O)[O-] ZINC001105375507 753815700 /nfs/dbraw/zinc/81/57/00/753815700.db2.gz YFMWTXWRFHMWNQ-UHFFFAOYSA-N 0 0 347.379 0.822 20 5 ECBDRN CN(CCN(C)c1ccc([N+](=O)[O-])cn1)C(=O)CCc1cnn(C)n1 ZINC001105560280 753834755 /nfs/dbraw/zinc/83/47/55/753834755.db2.gz JWZGFPQDXSCCFV-UHFFFAOYSA-N 0 0 347.379 0.646 20 5 ECBDRN CN(CCN(C)c1ccc([N+](=O)[O-])cn1)C(=O)c1cc(=O)n(C)cn1 ZINC001105595546 753942979 /nfs/dbraw/zinc/94/29/79/753942979.db2.gz XGWUUGSUJJLSGK-UHFFFAOYSA-N 0 0 346.347 0.292 20 5 ECBDRN Cc1ccnc(C(=O)NC2CN(Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC001030258526 762338167 /nfs/dbraw/zinc/33/81/67/762338167.db2.gz AQEOWYCLCRQROC-UHFFFAOYSA-N 0 0 331.336 0.041 20 5 ECBDRN O=C(Cc1ccoc1)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001010651758 756352847 /nfs/dbraw/zinc/35/28/47/756352847.db2.gz AGIIAJZWDAHTCP-ZIAGYGMSSA-N 0 0 347.371 0.938 20 5 ECBDRN Cn1cc(C(=O)N2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cn1 ZINC001010652338 756353685 /nfs/dbraw/zinc/35/36/85/756353685.db2.gz HZENARQIKQKCNG-CHWSQXEVSA-N 0 0 347.375 0.150 20 5 ECBDRN O=C(Cc1cnoc1)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001010796595 756532903 /nfs/dbraw/zinc/53/29/03/756532903.db2.gz PBHLLWAVILVRGC-CHWSQXEVSA-N 0 0 348.359 0.333 20 5 ECBDRN Cc1cnoc1C(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001010832988 756579988 /nfs/dbraw/zinc/57/99/88/756579988.db2.gz RMHMOULBOJXJEW-VXGBXAGGSA-N 0 0 348.359 0.713 20 5 ECBDRN O=C(NCCNCc1ncsc1Br)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936813 756756736 /nfs/dbraw/zinc/75/67/36/756756736.db2.gz SAWUUHQZIPDQCA-HTRCEHHLSA-N 0 0 349.210 0.777 20 5 ECBDRN O=C(NC1CN(Cc2nc(-c3cccs3)no2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030293136 762504493 /nfs/dbraw/zinc/50/44/93/762504493.db2.gz GCFZJZGVYWNJNV-NXEZZACHSA-N 0 0 349.372 0.764 20 5 ECBDRN O=C(CCc1ccncc1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011112679 756944983 /nfs/dbraw/zinc/94/49/83/756944983.db2.gz ACMPJXYYHIWJSV-ZIAGYGMSSA-N 0 0 332.360 0.350 20 5 ECBDRN CCCc1n[nH]cc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011112695 756945153 /nfs/dbraw/zinc/94/51/53/756945153.db2.gz AZCNJVBGAZUFQY-ZWNOBZJWSA-N 0 0 335.364 0.312 20 5 ECBDRN CC(C)Cn1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001011114305 756950368 /nfs/dbraw/zinc/95/03/68/756950368.db2.gz DGVTXNOXFTTYPL-ZIAGYGMSSA-N 0 0 349.391 0.489 20 5 ECBDRN COc1cc(C)cnc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011114192 756950707 /nfs/dbraw/zinc/95/07/07/756950707.db2.gz IFAICZGMEQBBLA-VXGBXAGGSA-N 0 0 348.359 0.348 20 5 ECBDRN O=C(c1n[nH]c2ccccc21)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011115769 756954700 /nfs/dbraw/zinc/95/47/00/756954700.db2.gz UQBAKMRQMLGZGP-DGCLKSJQSA-N 0 0 343.343 0.513 20 5 ECBDRN O=C(CCn1ccnn1)NC/C=C/CNc1ncc([N+](=O)[O-])cc1F ZINC001107169115 757204020 /nfs/dbraw/zinc/20/40/20/757204020.db2.gz WQKJWQIKDKOPJP-OWOJBTEDSA-N 0 0 349.326 0.895 20 5 ECBDRN Cc1ccnc(NC/C=C/CNC(=O)c2cnnn2C)c1[N+](=O)[O-] ZINC001107174824 757289121 /nfs/dbraw/zinc/28/91/21/757289121.db2.gz BMCGFTYYESXGEY-ONEGZZNKSA-N 0 0 331.336 0.825 20 5 ECBDRN O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cccnc1C1CC1 ZINC000996359823 757464215 /nfs/dbraw/zinc/46/42/15/757464215.db2.gz PFRISFWQGDKNSU-CHWSQXEVSA-N 0 0 330.344 0.565 20 5 ECBDRN CCCc1nc(C)c(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC000996460664 757677230 /nfs/dbraw/zinc/67/72/30/757677230.db2.gz WXCUPHWKTDUPSI-GHMZBOCLSA-N 0 0 336.348 0.541 20 5 ECBDRN Cc1nccc(C(=O)NC/C=C\CNc2ncc([N+](=O)[O-])c(N)n2)n1 ZINC001107207628 757726930 /nfs/dbraw/zinc/72/69/30/757726930.db2.gz ZMAQAORRDOOHAP-IHWYPQMZSA-N 0 0 344.335 0.464 20 5 ECBDRN O=C(Cn1cc2ccccc2n1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000996517764 757925149 /nfs/dbraw/zinc/92/51/49/757925149.db2.gz IRQHYMABEDTTQN-TZMCWYRMSA-N 0 0 343.343 0.029 20 5 ECBDRN Cc1nc(NC/C=C/CNC(=O)CCn2cnnn2)ccc1[N+](=O)[O-] ZINC001107300858 758202828 /nfs/dbraw/zinc/20/28/28/758202828.db2.gz YWXUEANOLGQUKX-NSCUHMNNSA-N 0 0 346.351 0.459 20 5 ECBDRN Cc1ccnc(NC/C=C/CNC(=O)Cc2nc[nH]n2)c1[N+](=O)[O-] ZINC001107334466 758282532 /nfs/dbraw/zinc/28/25/32/758282532.db2.gz ZCIRZROAVJXRGY-NSCUHMNNSA-N 0 0 331.336 0.743 20 5 ECBDRN Nc1nc(NC/C=C\CNC(=O)c2ccns2)ncc1[N+](=O)[O-] ZINC001107365693 758377358 /nfs/dbraw/zinc/37/73/58/758377358.db2.gz HIDJWCPNNOEMFM-UPHRSURJSA-N 0 0 335.349 0.822 20 5 ECBDRN Cc1noc(C(=O)NC/C=C\CNc2ncc([N+](=O)[O-])c(N)n2)c1C ZINC001107400313 758470001 /nfs/dbraw/zinc/47/00/01/758470001.db2.gz GFWCFRINAZXQNQ-ARJAWSKDSA-N 0 0 347.335 0.970 20 5 ECBDRN Cc1ccc(NC/C=C\CNC(=O)c2nnn(C)n2)c([N+](=O)[O-])c1 ZINC001107452509 758603357 /nfs/dbraw/zinc/60/33/57/758603357.db2.gz YCGREZXAIKGVSQ-ARJAWSKDSA-N 0 0 331.336 0.825 20 5 ECBDRN Cc1nn[nH]c1C(=O)NCC=CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001107456706 758617414 /nfs/dbraw/zinc/61/74/14/758617414.db2.gz SMXBFUZVDDLPTI-IHWYPQMZSA-N 0 0 333.308 0.520 20 5 ECBDRN C/C=C(/C)C(=O)N(C)CCOCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001127291261 767855973 /nfs/dbraw/zinc/85/59/73/767855973.db2.gz 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336.392 0.920 20 5 ECBDRN CC(C)CN1N=C(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCC1=O ZINC000129560321 436827767 /nfs/dbraw/zinc/82/77/67/436827767.db2.gz ICVCXUDJIGPRJN-UHFFFAOYSA-N 0 0 336.352 0.542 20 5 ECBDRN CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1S(N)(=O)=O ZINC000292866814 436831985 /nfs/dbraw/zinc/83/19/85/436831985.db2.gz WTZDKSNYOZTFAK-UHFFFAOYSA-N 0 0 339.377 0.571 20 5 ECBDRN COCCOCCOCCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000274501934 436834579 /nfs/dbraw/zinc/83/45/79/436834579.db2.gz FFZDCZLCBXEIGP-UHFFFAOYSA-N 0 0 344.368 0.367 20 5 ECBDRN O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000130224531 436837158 /nfs/dbraw/zinc/83/71/58/436837158.db2.gz ZIQTYVPWPYPPKI-LBPRGKRZSA-N 0 0 343.343 0.938 20 5 ECBDRN CC1=C(C(=O)NCc2ccccc2[N+](=O)[O-])Cn2nnnc2N1C ZINC000280697254 436913266 /nfs/dbraw/zinc/91/32/66/436913266.db2.gz FAGNTPRWFODFDC-UHFFFAOYSA-N 0 0 329.320 0.622 20 5 ECBDRN COC[C@H](O)CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275042878 436914055 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20 5 ECBDRN CC[C@H](O)CNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000293612353 436893103 /nfs/dbraw/zinc/89/31/03/436893103.db2.gz DWFPBXFKEQEQGL-NSHDSACASA-N 0 0 346.343 0.950 20 5 ECBDRN CCO[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)[C@@H]1OC ZINC000274987610 436904882 /nfs/dbraw/zinc/90/48/82/436904882.db2.gz KZTXHPJIWJSZRO-XQQFMLRXSA-N 0 0 345.377 0.847 20 5 ECBDRN CS(=O)(=O)C[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000293775318 436908001 /nfs/dbraw/zinc/90/80/01/436908001.db2.gz RCUCZGKOROJYNF-NSHDSACASA-N 0 0 341.389 0.900 20 5 ECBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCNC[C@H]1c1cccnc1 ZINC000262094240 436908079 /nfs/dbraw/zinc/90/80/79/436908079.db2.gz YTLVJUYOWFBKOY-ZDUSSCGKSA-N 0 0 330.348 0.668 20 5 ECBDRN COCCCN(CCO)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000275422636 436966887 /nfs/dbraw/zinc/96/68/87/436966887.db2.gz CSGWUZRLFCVAPA-UHFFFAOYSA-N 0 0 348.377 0.623 20 5 ECBDRN CCN(C)C(=O)CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275437131 436969480 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CCc1nnc(CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000295762641 436978533 /nfs/dbraw/zinc/97/85/33/436978533.db2.gz WBCSRZULDSYCDE-SECBINFHSA-N 0 0 346.347 0.710 20 5 ECBDRN CCOC(=O)CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000294049482 436930589 /nfs/dbraw/zinc/93/05/89/436930589.db2.gz AAMDKSDVKGPUQK-UHFFFAOYSA-N 0 0 349.343 0.832 20 5 ECBDRN CCC[C@@H](C)N1C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000164472585 436934134 /nfs/dbraw/zinc/93/41/34/436934134.db2.gz KJBMLNQXEHXRGN-VXGBXAGGSA-N 0 0 337.380 0.945 20 5 ECBDRN CCc1n[nH]c(C(=O)NCCCC2N=NC(=S)N2C)c1[N+](=O)[O-] ZINC000294195822 436940522 /nfs/dbraw/zinc/94/05/22/436940522.db2.gz PUHQXLSZNBLFIE-UHFFFAOYSA-N 0 0 339.381 0.660 20 5 ECBDRN CNS(=O)(=O)c1ccc(NCCCc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000281054221 436942875 /nfs/dbraw/zinc/94/28/75/436942875.db2.gz XSCUNXMIGLXLST-UHFFFAOYSA-N 0 0 340.365 0.666 20 5 ECBDRN CC(=O)NCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000170358872 436944996 /nfs/dbraw/zinc/94/49/96/436944996.db2.gz BRLIFFFREOZNSD-UHFFFAOYSA-N 0 0 328.712 0.439 20 5 ECBDRN C[S@@](=O)C1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000281114605 436947440 /nfs/dbraw/zinc/94/74/40/436947440.db2.gz WJCOESPYFBYIBJ-HSZRJFAPSA-N 0 0 339.373 0.951 20 5 ECBDRN C[C@@H](NC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)N(C)C ZINC000170697871 436949150 /nfs/dbraw/zinc/94/91/50/436949150.db2.gz MJDAGAGEQJEIFI-MRVPVSSYSA-N 0 0 336.304 0.096 20 5 ECBDRN COCCS(=O)(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000170663540 436949212 /nfs/dbraw/zinc/94/92/12/436949212.db2.gz FQUDIIIJQOVNMH-UHFFFAOYSA-N 0 0 329.378 0.693 20 5 ECBDRN CCCNC(=O)CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275289768 436951028 /nfs/dbraw/zinc/95/10/28/436951028.db2.gz UAABKJROTFNTPG-UHFFFAOYSA-N 0 0 349.340 0.547 20 5 ECBDRN O=C(NCC(=O)N1CCC[C@@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000294394334 436952522 /nfs/dbraw/zinc/95/25/22/436952522.db2.gz DEFWZZAXVKNMSZ-GFCCVEGCSA-N 0 0 335.360 0.946 20 5 ECBDRN COc1c(F)cc(S(=O)(=O)N2CC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000275340622 436957275 /nfs/dbraw/zinc/95/72/75/436957275.db2.gz DVXAKRQAIMVORR-GFCCVEGCSA-N 0 0 334.325 0.888 20 5 ECBDRN COc1c(F)cc(S(=O)(=O)N2CC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000275340398 436957896 /nfs/dbraw/zinc/95/78/96/436957896.db2.gz DRBBDNPLUAMKKQ-QMMMGPOBSA-N 0 0 334.325 0.745 20 5 ECBDRN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000275374226 436961227 /nfs/dbraw/zinc/96/12/27/436961227.db2.gz LGOSCLRIFJKEQI-GXTWGEPZSA-N 0 0 334.336 0.561 20 5 ECBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(CCO)CCCO ZINC000275837046 437019295 /nfs/dbraw/zinc/01/92/95/437019295.db2.gz CBQVBVJUFWWNPG-UHFFFAOYSA-N 0 0 345.739 0.390 20 5 ECBDRN Cc1c(C(=O)N[C@@H]2CCN(C)C2=O)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000172546796 437019724 /nfs/dbraw/zinc/01/97/24/437019724.db2.gz DHAMYBOUPJSITO-GFCCVEGCSA-N 0 0 344.331 0.444 20 5 ECBDRN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000172627065 437022226 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328.288 0.907 20 5 ECBDRN NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCO[C@@H](C(F)F)C1 ZINC000800876639 586976085 /nfs/dbraw/zinc/97/60/85/586976085.db2.gz MQJVHIIAICLFNE-SECBINFHSA-N 0 0 337.304 0.713 20 5 ECBDRN CCOCCONC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000801199807 586984601 /nfs/dbraw/zinc/98/46/01/586984601.db2.gz VLISYXHGDZEPKE-UHFFFAOYSA-N 0 0 332.334 0.696 20 5 ECBDRN NS(=O)(=O)c1ccc(C(=O)OCC(=O)CC2CC2)cc1[N+](=O)[O-] ZINC000801441191 586995535 /nfs/dbraw/zinc/99/55/35/586995535.db2.gz TXDOKWYQYKCLMY-UHFFFAOYSA-N 0 0 342.329 0.768 20 5 ECBDRN COCCN1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1=O ZINC000801590085 587000039 /nfs/dbraw/zinc/00/00/39/587000039.db2.gz NYIYKTOPPTURQQ-UHFFFAOYSA-N 0 0 336.348 0.549 20 5 ECBDRN NC(=O)C1CCN(CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000839947857 587006426 /nfs/dbraw/zinc/00/64/26/587006426.db2.gz CHGDLNBXRJEARS-HNNXBMFYSA-N 0 0 348.359 0.687 20 5 ECBDRN CN(C)C(=O)NCCN(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801935883 587006592 /nfs/dbraw/zinc/00/65/92/587006592.db2.gz MGHXSIUJTOWIMF-UHFFFAOYSA-N 0 0 327.316 0.659 20 5 ECBDRN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000843865509 589082470 /nfs/dbraw/zinc/08/24/70/589082470.db2.gz DVRFXYRSWWULPV-ZANVPECISA-N 0 0 339.304 0.627 20 5 ECBDRN CC[C@H]1C(=O)NCCN1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839990549 587053453 /nfs/dbraw/zinc/05/34/53/587053453.db2.gz HSIGDQFEFBCZKP-ZFWWWQNUSA-N 0 0 348.359 0.700 20 5 ECBDRN Cc1nn(CCC(=O)OCC(=O)c2cnnn2C)c(C)c1[N+](=O)[O-] ZINC000803332009 587058280 /nfs/dbraw/zinc/05/82/80/587058280.db2.gz HLGRQHBQBRQPSH-UHFFFAOYSA-N 0 0 336.308 0.353 20 5 ECBDRN C[C@H](NS(C)(=O)=O)C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803408306 587059926 /nfs/dbraw/zinc/05/99/26/587059926.db2.gz DVDVCAMWPNZNIC-LURJTMIESA-N 0 0 338.288 0.854 20 5 ECBDRN CC[S@@](=O)CC(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000803474967 587061447 /nfs/dbraw/zinc/06/14/47/587061447.db2.gz MUVCAVCLVNERJL-HSZRJFAPSA-N 0 0 340.357 0.796 20 5 ECBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCS(=O)(=O)N(C)C ZINC000843892529 589083445 /nfs/dbraw/zinc/08/34/45/589083445.db2.gz VZBKFTQMFUGFCT-UHFFFAOYSA-N 0 0 333.341 0.664 20 5 ECBDRN Nc1nc(C2CC2)ncc1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000803709907 587068251 /nfs/dbraw/zinc/06/82/51/587068251.db2.gz ORZTWIOOLVEISH-UHFFFAOYSA-N 0 0 345.315 0.863 20 5 ECBDRN CC1(C(N)=O)CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000843941460 589084313 /nfs/dbraw/zinc/08/43/13/589084313.db2.gz KWDANZAXZYDGNF-GFCCVEGCSA-N 0 0 332.316 0.422 20 5 ECBDRN NC(=O)C[C@H]1CCN(CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840082069 587115499 /nfs/dbraw/zinc/11/54/99/587115499.db2.gz YUAUQDJJANUFLD-BZNIZROVSA-N 0 0 348.359 0.687 20 5 ECBDRN COC(=O)[C@@H](Cn1ccnc1)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000807282512 587123705 /nfs/dbraw/zinc/12/37/05/587123705.db2.gz MNBSJZHYYOIVPQ-LLVKDONJSA-N 0 0 348.315 0.772 20 5 ECBDRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[C@](O)(C(F)F)C1 ZINC000840114824 587136581 /nfs/dbraw/zinc/13/65/81/587136581.db2.gz URKAFEFVWUBUQE-CQSZACIVSA-N 0 0 341.270 0.850 20 5 ECBDRN CN(Cc1nncn1C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000807842942 587137868 /nfs/dbraw/zinc/13/78/68/587137868.db2.gz BNQVKPRHERSEQY-UHFFFAOYSA-N 0 0 329.320 0.732 20 5 ECBDRN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCN2CCNC2=O)C1=O ZINC000808022312 587142152 /nfs/dbraw/zinc/14/21/52/587142152.db2.gz CTJRHEPGCUGGTK-HNNXBMFYSA-N 0 0 347.331 0.387 20 5 ECBDRN C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C(=O)O1 ZINC000808208749 587149398 /nfs/dbraw/zinc/14/93/98/587149398.db2.gz QIRBHFRPGMGEKF-WLTAIBSBSA-N 0 0 333.300 0.908 20 5 ECBDRN CCS(=O)(=O)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000808359734 587153606 /nfs/dbraw/zinc/15/36/06/587153606.db2.gz IZPWGEPKGYGHEV-UHFFFAOYSA-N 0 0 336.316 0.966 20 5 ECBDRN Cn1nncc1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809846069 587184489 /nfs/dbraw/zinc/18/44/89/587184489.db2.gz CZLNZTZNQXUROM-UHFFFAOYSA-N 0 0 349.731 0.994 20 5 ECBDRN CN(C)C(=O)CSCC(=O)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000840209942 587204698 /nfs/dbraw/zinc/20/46/98/587204698.db2.gz IDHBQRPQYUAJES-UHFFFAOYSA-N 0 0 325.346 0.673 20 5 ECBDRN CNS(=O)(=O)c1cc(C(=O)OC[C@@H](C)[N+](=O)[O-])ccc1OC ZINC000813103905 587248063 /nfs/dbraw/zinc/24/80/63/587248063.db2.gz HZUUDZVSNCNUIM-MRVPVSSYSA-N 0 0 332.334 0.425 20 5 ECBDRN CCS(=O)(=O)N[C@@H](CCSC)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813112670 587248407 /nfs/dbraw/zinc/24/84/07/587248407.db2.gz SMYDJSAWKKPCRB-BDAKNGLRSA-N 0 0 328.412 0.256 20 5 ECBDRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)OC[C@@H](C)[N+](=O)[O-])C2=O)cc1 ZINC000813114967 587248837 /nfs/dbraw/zinc/24/88/37/587248837.db2.gz YUSLSVAHZGFEFG-BZNIZROVSA-N 0 0 349.343 0.970 20 5 ECBDRN C[C@H](C[N+](=O)[O-])OC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O ZINC000814041673 587268582 /nfs/dbraw/zinc/26/85/82/587268582.db2.gz RUBFCUQEDQLZDS-GMTAPVOTSA-N 0 0 341.364 0.942 20 5 ECBDRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C[N+](=O)[O-])cc1 ZINC000814041309 587268682 /nfs/dbraw/zinc/26/86/82/587268682.db2.gz OPNBSFSMXOXQAL-ZJUUUORDSA-N 0 0 346.361 0.570 20 5 ECBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000814043176 587268855 /nfs/dbraw/zinc/26/88/55/587268855.db2.gz UGOFYQHUCKMVBA-SECBINFHSA-N 0 0 328.346 0.831 20 5 ECBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000814048614 587268894 /nfs/dbraw/zinc/26/88/94/587268894.db2.gz VSSRLWZUPOEGOW-SSDOTTSWSA-N 0 0 334.288 0.654 20 5 ECBDRN CCCONC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000844080807 589093050 /nfs/dbraw/zinc/09/30/50/589093050.db2.gz NAEUXECZTSNSFH-UHFFFAOYSA-N 0 0 346.365 0.502 20 5 ECBDRN CN(C[C@H](O)CNc1ccncc1[N+](=O)[O-])c1ccncc1[N+](=O)[O-] ZINC000814259951 587272270 /nfs/dbraw/zinc/27/22/70/587272270.db2.gz DQLUSIXVNZZBPP-SNVBAGLBSA-N 0 0 348.319 0.624 20 5 ECBDRN CC(C)(C)c1n[nH]c(COC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC000814461468 587274874 /nfs/dbraw/zinc/27/48/74/587274874.db2.gz SVQLUZGRAKIZAB-UHFFFAOYSA-N 0 0 335.320 0.916 20 5 ECBDRN O=C(C[C@@H]1CCCS(=O)(=O)C1)OCCn1ccc([N+](=O)[O-])n1 ZINC000815282820 587287230 /nfs/dbraw/zinc/28/72/30/587287230.db2.gz HDUQYVCKZUNQNS-JTQLQIEISA-N 0 0 331.350 0.549 20 5 ECBDRN Cn1cnnc1COCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000815290047 587287570 /nfs/dbraw/zinc/28/75/70/587287570.db2.gz NMEONPJPIMQRPZ-UHFFFAOYSA-N 0 0 334.288 0.666 20 5 ECBDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000815916803 587301929 /nfs/dbraw/zinc/30/19/29/587301929.db2.gz KQRUCWBGZJSSIR-LLVKDONJSA-N 0 0 345.377 0.858 20 5 ECBDRN Cc1cnc(COC(=O)COCc2nncn2C)c(C)c1[N+](=O)[O-] ZINC000816040266 587305139 /nfs/dbraw/zinc/30/51/39/587305139.db2.gz XOMXCGDUGIXXFT-UHFFFAOYSA-N 0 0 335.320 0.995 20 5 ECBDRN COc1cc(OCC(=O)OCCn2cnccc2=O)ccc1[N+](=O)[O-] ZINC000816281397 587310458 /nfs/dbraw/zinc/31/04/58/587310458.db2.gz NSVZPOKWRMUXRE-UHFFFAOYSA-N 0 0 349.299 0.782 20 5 ECBDRN O=C(CCn1cc([N+](=O)[O-])cn1)OC[C@@H]1COc2cccnc2O1 ZINC000816361594 587312129 /nfs/dbraw/zinc/31/21/29/587312129.db2.gz UNSBNQLCIYSVKE-NSHDSACASA-N 0 0 334.288 0.960 20 5 ECBDRN CON(C)C(=O)CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000817124177 587334237 /nfs/dbraw/zinc/33/42/37/587334237.db2.gz ACAAKTRGNDOGSB-UHFFFAOYSA-N 0 0 328.281 0.735 20 5 ECBDRN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1nc2n(n1)CCCN2 ZINC000818160882 587409880 /nfs/dbraw/zinc/40/98/80/587409880.db2.gz ZMQIBQYEXLBZPF-UHFFFAOYSA-N 0 0 336.739 0.843 20 5 ECBDRN O=C(CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)N[C@@H]1CC[C@H]1O ZINC000819685034 587485379 /nfs/dbraw/zinc/48/53/79/587485379.db2.gz BSCZHGZNGKZOLR-MWLCHTKSSA-N 0 0 341.270 0.673 20 5 ECBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000819919160 587497348 /nfs/dbraw/zinc/49/73/48/587497348.db2.gz HRCSHZNSTRGVPM-SNVBAGLBSA-N 0 0 327.362 0.925 20 5 ECBDRN CC(C)(C)N1CC[C@H](OC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1=O ZINC000820457151 587534650 /nfs/dbraw/zinc/53/46/50/587534650.db2.gz XJXWLJAFSKZFCI-LBPRGKRZSA-N 0 0 337.332 0.699 20 5 ECBDRN CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840404561 587538696 /nfs/dbraw/zinc/53/86/96/587538696.db2.gz ZZDBKZQUKKNSMJ-IACUBPJLSA-N 0 0 335.360 0.720 20 5 ECBDRN COc1cc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])cc1C ZINC000820670600 587548663 /nfs/dbraw/zinc/54/86/63/587548663.db2.gz SBSDCRMQVFBNPD-SNVBAGLBSA-N 0 0 334.332 0.059 20 5 ECBDRN CCOC(=O)[C@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821325187 587585570 /nfs/dbraw/zinc/58/55/70/587585570.db2.gz CNQYIMPCOVMFOF-VIFPVBQESA-N 0 0 347.335 0.949 20 5 ECBDRN CN(CC(=O)n1ncc(-c2nn[nH]n2)c1N)c1ccccc1[N+](=O)[O-] ZINC000821593952 587603266 /nfs/dbraw/zinc/60/32/66/587603266.db2.gz RJIDWTVWKVVDEZ-UHFFFAOYSA-N 0 0 343.307 0.330 20 5 ECBDRN CN(CC(=O)NC(C)(C)C)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821592759 587603730 /nfs/dbraw/zinc/60/37/30/587603730.db2.gz UFKOWNZOURBCDL-UHFFFAOYSA-N 0 0 334.340 0.521 20 5 ECBDRN COC(=O)N1CCC[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821664723 587617223 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CO[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC001126997674 759185102 /nfs/dbraw/zinc/18/51/02/759185102.db2.gz CIHPIIWYZIHAGE-JTQLQIEISA-N 0 0 328.325 0.264 20 5 ECBDRN Cc1ccccc1OCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000991285894 760119206 /nfs/dbraw/zinc/11/92/06/760119206.db2.gz IJPWXAXUDZXNCI-CHWSQXEVSA-N 0 0 333.344 0.366 20 5 ECBDRN O=C(NC1CN(C(=O)c2ccn3c2CCCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000991287762 760123458 /nfs/dbraw/zinc/12/34/58/760123458.db2.gz LEFHEXCZLROQFP-TZMCWYRMSA-N 0 0 332.360 0.430 20 5 ECBDRN COc1cccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1C ZINC000991289456 760134656 /nfs/dbraw/zinc/13/46/56/760134656.db2.gz FNBACXYZAKHRRY-CHWSQXEVSA-N 0 0 333.344 0.609 20 5 ECBDRN O=C(NC1CN(C(=O)c2ccc3cccnc3n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000991290624 760140304 /nfs/dbraw/zinc/14/03/04/760140304.db2.gz MJPDBFNBFPKOGE-DGCLKSJQSA-N 0 0 341.327 0.236 20 5 ECBDRN O=C(NC1CN(C(=O)c2ocnc2C(F)(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 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C[C@H](CCCCO)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000295924078 265085847 /nfs/dbraw/zinc/08/58/47/265085847.db2.gz HMZCURCYONLUHT-SNVBAGLBSA-N 0 0 349.343 0.858 20 5 ECBDRN Cc1ccc(C)c(S(=O)(=O)N2CC(=O)N[C@H](C)C2)c1[N+](=O)[O-] ZINC000295937979 265085948 /nfs/dbraw/zinc/08/59/48/265085948.db2.gz GIVKYAIYGCLTBE-SNVBAGLBSA-N 0 0 327.362 0.721 20 5 ECBDRN COc1cc(S(=O)(=O)N2CC(=O)N[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000296006510 265088160 /nfs/dbraw/zinc/08/81/60/265088160.db2.gz KZTFEIMJOUVGMY-QMMMGPOBSA-N 0 0 329.334 0.112 20 5 ECBDRN C[C@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC(=O)N1 ZINC000296324000 265104643 /nfs/dbraw/zinc/10/46/43/265104643.db2.gz UHVLUBMFYREDQM-QMMMGPOBSA-N 0 0 336.304 0.082 20 5 ECBDRN O=C(N[C@H]1CCCNC1=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000296752350 265114973 /nfs/dbraw/zinc/11/49/73/265114973.db2.gz BQSRTYLXDQMYGD-NSHDSACASA-N 0 0 329.316 0.993 20 5 ECBDRN CCn1ncc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000296945616 265126803 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COC(=O)C[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000298299345 265237642 /nfs/dbraw/zinc/23/76/42/265237642.db2.gz QBNJXPHVGGTKED-VHSXEESVSA-N 0 0 337.332 0.781 20 5 ECBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000298389217 265248635 /nfs/dbraw/zinc/24/86/35/265248635.db2.gz OFILVEVBIUVJCV-JTQLQIEISA-N 0 0 334.332 0.566 20 5 ECBDRN CNC(=O)C1CN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000298641342 265270918 /nfs/dbraw/zinc/27/09/18/265270918.db2.gz PTESHWKQOBYVGR-UHFFFAOYSA-N 0 0 334.332 0.355 20 5 ECBDRN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000298687243 265275134 /nfs/dbraw/zinc/27/51/34/265275134.db2.gz ZCVBHGKJAHHSQZ-JTQLQIEISA-N 0 0 348.402 0.793 20 5 ECBDRN CC(C)NC(=O)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000298809993 265285702 /nfs/dbraw/zinc/28/57/02/265285702.db2.gz XEEMQNAMHXHSSZ-UHFFFAOYSA-N 0 0 330.366 0.569 20 5 ECBDRN CCS(=O)(=O)NCCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000298974063 265313351 /nfs/dbraw/zinc/31/33/51/265313351.db2.gz GAPKQXJDCYYQCQ-JTQLQIEISA-N 0 0 344.393 0.894 20 5 ECBDRN Cc1c(C(=O)NCCC(=O)N(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000299011324 265319415 /nfs/dbraw/zinc/31/94/15/265319415.db2.gz VFKHMODCIAKDTQ-UHFFFAOYSA-N 0 0 346.347 0.692 20 5 ECBDRN NC(=O)CCN(Cc1ccccc1)C(=O)Cn1nccc1[N+](=O)[O-] ZINC000299037825 265323179 /nfs/dbraw/zinc/32/31/79/265323179.db2.gz RHTXKYMGVSWJFS-UHFFFAOYSA-N 0 0 331.332 0.696 20 5 ECBDRN COc1cc(CCNC(=O)CS(C)(=O)=O)c([N+](=O)[O-])cc1OC ZINC000299066050 265328733 /nfs/dbraw/zinc/32/87/33/265328733.db2.gz QBAYHHNCIDCBRM-UHFFFAOYSA-N 0 0 346.361 0.315 20 5 ECBDRN Cc1ccc(S(=O)(=O)NC[C@@H]2CN(C)CCN2C)c([N+](=O)[O-])c1 ZINC000330698269 437593768 /nfs/dbraw/zinc/59/37/68/437593768.db2.gz LJTQBHSRKLMIQT-GFCCVEGCSA-N 0 0 342.421 0.427 20 5 ECBDRN CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000106686852 276450458 /nfs/dbraw/zinc/45/04/58/276450458.db2.gz SUQZRDDWLKBXKM-LLVKDONJSA-N 0 0 344.331 0.526 20 5 ECBDRN COC(=O)[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCO1 ZINC000321729338 277100735 /nfs/dbraw/zinc/10/07/35/277100735.db2.gz HOGUEVNPMXWBBS-LBPRGKRZSA-N 0 0 344.345 0.377 20 5 ECBDRN COc1cc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)on1 ZINC000457129529 277368471 /nfs/dbraw/zinc/36/84/71/277368471.db2.gz VXUPRRXVSADEPU-UHFFFAOYSA-N 0 0 333.304 0.949 20 5 ECBDRN COC(=O)c1cc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000373765691 277423465 /nfs/dbraw/zinc/42/34/65/277423465.db2.gz JPMCLKBGZOQZQQ-STQMWFEESA-N 0 0 349.343 0.784 20 5 ECBDRN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000433754559 278002197 /nfs/dbraw/zinc/00/21/97/278002197.db2.gz WWNZTRCZNAROGO-MRVPVSSYSA-N 0 0 330.366 0.748 20 5 ECBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000121855889 279157766 /nfs/dbraw/zinc/15/77/66/279157766.db2.gz BQMGLYOZROMDLT-VHSXEESVSA-N 0 0 327.362 0.946 20 5 ECBDRN C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000269310303 279495387 /nfs/dbraw/zinc/49/53/87/279495387.db2.gz WJDBFSSYYCGTRC-JTQLQIEISA-N 0 0 339.377 0.946 20 5 ECBDRN CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000106362666 281035259 /nfs/dbraw/zinc/03/52/59/281035259.db2.gz VPEDLFGWMGPUFC-JTQLQIEISA-N 0 0 327.362 0.802 20 5 ECBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C[C@@H](C)O)[C@H](C)CO ZINC000443341608 281261292 /nfs/dbraw/zinc/26/12/92/281261292.db2.gz CUOIHOVIUSFXAZ-VXGBXAGGSA-N 0 0 325.365 0.905 20 5 ECBDRN C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408192967 289024825 /nfs/dbraw/zinc/02/48/25/289024825.db2.gz PLGAVDWRFGYSNL-ZJUUUORDSA-N 0 0 348.402 0.791 20 5 ECBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189963014 437614161 /nfs/dbraw/zinc/61/41/61/437614161.db2.gz MHHHEUMWFQLRCX-UHFFFAOYSA-N 0 0 345.363 0.891 20 5 ECBDRN Cc1ccnc(N2CCN(CC(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000265258967 292773348 /nfs/dbraw/zinc/77/33/48/292773348.db2.gz SAWVWWAOGNNBOJ-UHFFFAOYSA-N 0 0 349.391 0.279 20 5 ECBDRN CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000420746579 290582933 /nfs/dbraw/zinc/58/29/33/290582933.db2.gz ZCOVYLLASFAEJE-SNVBAGLBSA-N 0 0 327.362 0.660 20 5 ECBDRN CCn1cc(S(=O)(=O)N2CCn3ccnc3C2)c([N+](=O)[O-])n1 ZINC000331919333 296982316 /nfs/dbraw/zinc/98/23/16/296982316.db2.gz SYDBLNSSUMPWKC-UHFFFAOYSA-N 0 0 326.338 0.212 20 5 ECBDRN CN1CCC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1=O ZINC000332612258 297058110 /nfs/dbraw/zinc/05/81/10/297058110.db2.gz PZBUYWXLUMSMSP-SNVBAGLBSA-N 0 0 335.316 0.717 20 5 ECBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)N(C)C ZINC000359780964 299890871 /nfs/dbraw/zinc/89/08/71/299890871.db2.gz CUDUSXRZDSRWIX-UHFFFAOYSA-N 0 0 331.350 0.225 20 5 ECBDRN CN(C)S(=O)(=O)CCNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000359804394 299895472 /nfs/dbraw/zinc/89/54/72/299895472.db2.gz XJUZXRSQKMGAOP-UHFFFAOYSA-N 0 0 347.418 0.695 20 5 ECBDRN NC(=O)CC1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000269118845 295037761 /nfs/dbraw/zinc/03/77/61/295037761.db2.gz DRIFQNLRADJRKB-UHFFFAOYSA-N 0 0 342.377 0.334 20 5 ECBDRN NC(=O)CC1(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000443895428 295037877 /nfs/dbraw/zinc/03/78/77/295037877.db2.gz JWMJIRHYBJZCJE-UHFFFAOYSA-N 0 0 327.362 0.812 20 5 ECBDRN COC(=O)CCN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1C ZINC000354458045 437622778 /nfs/dbraw/zinc/62/27/78/437622778.db2.gz HUKCTQCNDOUQIP-SECBINFHSA-N 0 0 325.325 0.027 20 5 ECBDRN COC[C@H](NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)OC ZINC000359986092 299919352 /nfs/dbraw/zinc/91/93/52/299919352.db2.gz JARLXSGKQOADJF-JTQLQIEISA-N 0 0 346.361 0.678 20 5 ECBDRN Nc1c(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000456809743 295345407 /nfs/dbraw/zinc/34/54/07/295345407.db2.gz LIJYWMNEGROLAA-PWSUYJOCSA-N 0 0 339.373 0.969 20 5 ECBDRN CCn1ncnc1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000360108552 299934116 /nfs/dbraw/zinc/93/41/16/299934116.db2.gz RCEYELMOLXQWMQ-UHFFFAOYSA-N 0 0 326.338 0.466 20 5 ECBDRN CS(=O)(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000025249479 295517788 /nfs/dbraw/zinc/51/77/88/295517788.db2.gz XDNVEKGQKLERLM-UHFFFAOYSA-N 0 0 344.349 0.975 20 5 ECBDRN Cc1c(CNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000360527720 437623421 /nfs/dbraw/zinc/62/34/21/437623421.db2.gz JITYQIULQBPZEO-YGRLFVJLSA-N 0 0 335.360 0.795 20 5 ECBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000360175154 299948867 /nfs/dbraw/zinc/94/88/67/299948867.db2.gz QUTBIPNOBQHZFA-NSHDSACASA-N 0 0 334.288 0.122 20 5 ECBDRN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000337021268 297175857 /nfs/dbraw/zinc/17/58/57/297175857.db2.gz RNSREGXNRBGBLA-ADEWGFFLSA-N 0 0 334.332 0.812 20 5 ECBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(=O)[nH]n1 ZINC000337121370 297180368 /nfs/dbraw/zinc/18/03/68/297180368.db2.gz AGPCJMOUJVSSIV-UHFFFAOYSA-N 0 0 326.290 0.900 20 5 ECBDRN C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCF ZINC000337206929 297184983 /nfs/dbraw/zinc/18/49/83/297184983.db2.gz NLMAQXZDERRGCJ-SECBINFHSA-N 0 0 333.341 0.488 20 5 ECBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(C(=O)c2cccnc2)CC1 ZINC000337476434 297191144 /nfs/dbraw/zinc/19/11/44/297191144.db2.gz YQSVNPLFUBFYAX-UHFFFAOYSA-N 0 0 344.331 0.171 20 5 ECBDRN CN(C)Cc1nc(C(C)(C)NC(=O)Cn2ccc([N+](=O)[O-])n2)no1 ZINC000337690660 297204458 /nfs/dbraw/zinc/20/44/58/297204458.db2.gz OAWLYYYZKQANKD-UHFFFAOYSA-N 0 0 337.340 0.287 20 5 ECBDRN Cn1c(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000337704514 297206986 /nfs/dbraw/zinc/20/69/86/297206986.db2.gz WXZIHCHTPCGCAL-VHSXEESVSA-N 0 0 344.393 0.381 20 5 ECBDRN Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000337820418 297218138 /nfs/dbraw/zinc/21/81/38/297218138.db2.gz TZIBVISOUMIURF-UHFFFAOYSA-N 0 0 327.362 0.789 20 5 ECBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000337903814 297223470 /nfs/dbraw/zinc/22/34/70/297223470.db2.gz SPUNZGJBSOMQKQ-UHFFFAOYSA-N 0 0 330.348 0.681 20 5 ECBDRN CS(=O)(=O)N1CCC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000337963426 297229622 /nfs/dbraw/zinc/22/96/22/297229622.db2.gz BEAORFLTXXVBCR-LBPRGKRZSA-N 0 0 341.389 0.678 20 5 ECBDRN CC(C)(C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12)n1cc([N+](=O)[O-])cn1 ZINC000338093414 297240538 /nfs/dbraw/zinc/24/05/38/297240538.db2.gz QUJHEARMZKCCEO-NWDGAFQWSA-N 0 0 335.364 0.796 20 5 ECBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cncc(-c2nncn2C)c1 ZINC000338269484 297252162 /nfs/dbraw/zinc/25/21/62/297252162.db2.gz WCZKJMUQIFJDDV-UHFFFAOYSA-N 0 0 342.319 0.929 20 5 ECBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H](O)Cc1cnn(C)c1 ZINC000338319418 297256413 /nfs/dbraw/zinc/25/64/13/297256413.db2.gz AFRBRPVCLAIVIQ-OAHLLOKOSA-N 0 0 332.360 0.933 20 5 ECBDRN CC(C)(C(=O)NCCNC(=O)c1ccco1)n1cc([N+](=O)[O-])cn1 ZINC000338609288 297282067 /nfs/dbraw/zinc/28/20/67/297282067.db2.gz UHNXZPACNDLHLM-UHFFFAOYSA-N 0 0 335.320 0.666 20 5 ECBDRN CCCNC(=O)CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000338615347 297282602 /nfs/dbraw/zinc/28/26/02/297282602.db2.gz GFYOCTHIHLFSSF-UHFFFAOYSA-N 0 0 325.369 0.831 20 5 ECBDRN C[C@@](O)(CO)CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000338623867 297283022 /nfs/dbraw/zinc/28/30/22/297283022.db2.gz QBWKWNNSRALJQS-HNNXBMFYSA-N 0 0 335.316 0.381 20 5 ECBDRN CCOc1cc(C(=O)NC[C@H](O)COC)c([N+](=O)[O-])cc1OC ZINC000338681246 297288475 /nfs/dbraw/zinc/28/84/75/297288475.db2.gz KTFGCTVAWJMQJG-VIFPVBQESA-N 0 0 328.321 0.739 20 5 ECBDRN Cc1c(NC(=O)C(=O)N2CC[C@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000338905549 297308610 /nfs/dbraw/zinc/30/86/10/297308610.db2.gz QZGNTNKBLOHMFB-CQSZACIVSA-N 0 0 325.296 0.775 20 5 ECBDRN CCNC(=O)NC(=O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000339183071 297323861 /nfs/dbraw/zinc/32/38/61/297323861.db2.gz RYMHMAYDIHPSRM-UHFFFAOYSA-N 0 0 335.276 0.257 20 5 ECBDRN COCCNC(=O)[C@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000339196570 297324680 /nfs/dbraw/zinc/32/46/80/297324680.db2.gz NXQWIIQWJGXYEK-LBPRGKRZSA-N 0 0 326.353 0.830 20 5 ECBDRN Cc1c(CC(=O)N[C@@H](CO)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000339219912 297326641 /nfs/dbraw/zinc/32/66/41/297326641.db2.gz WPNHFLDWODNYAD-CQSZACIVSA-N 0 0 337.376 0.255 20 5 ECBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)N[C@@]2(CCOC2)C1=O ZINC000339304797 297333858 /nfs/dbraw/zinc/33/38/58/297333858.db2.gz LSQHEGUAHGHYOQ-OAHLLOKOSA-N 0 0 348.315 0.553 20 5 ECBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCn1ccnc1 ZINC000339725935 297373737 /nfs/dbraw/zinc/37/37/37/297373737.db2.gz KFICHQVTHHRLEM-UHFFFAOYSA-N 0 0 343.299 0.204 20 5 ECBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CO)CC(F)(F)F ZINC000339876399 297401832 /nfs/dbraw/zinc/40/18/32/297401832.db2.gz BQCMGKPPSUBQTN-QMMMGPOBSA-N 0 0 335.238 0.963 20 5 ECBDRN NC(=O)[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000340222727 297460353 /nfs/dbraw/zinc/46/03/53/297460353.db2.gz NQKZXTOUXBCLFN-OCCSQVGLSA-N 0 0 345.359 0.631 20 5 ECBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCNC2=O)cc1OC ZINC000340483646 297495670 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O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000299505136 437083146 /nfs/dbraw/zinc/08/31/46/437083146.db2.gz INTKJQPQOUYKDP-NSHDSACASA-N 0 0 343.299 0.491 20 5 ECBDRN COCC[C@](C)(O)CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000174886815 437090704 /nfs/dbraw/zinc/09/07/04/437090704.db2.gz NLTZHWVIFZSODA-AWEZNQCLSA-N 0 0 328.369 0.702 20 5 ECBDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCCN2CCOCC2)c1 ZINC000299580987 437091729 /nfs/dbraw/zinc/09/17/29/437091729.db2.gz WGNWGHXIAIZNIQ-UHFFFAOYSA-N 0 0 325.321 0.265 20 5 ECBDRN CN1CC[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000276306107 437086712 /nfs/dbraw/zinc/08/67/12/437086712.db2.gz NUXQZEOUOHDENN-CYBMUJFWSA-N 0 0 334.332 0.598 20 5 ECBDRN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000286526732 437096669 /nfs/dbraw/zinc/09/66/69/437096669.db2.gz RYRVWEWQXGGSLG-UHFFFAOYSA-N 0 0 348.237 0.542 20 5 ECBDRN COc1cc(OCC(=O)NCCc2nnc(C)n2C)ccc1[N+](=O)[O-] ZINC000286569178 437101599 /nfs/dbraw/zinc/10/15/99/437101599.db2.gz TVEDOSGRXLNCCH-UHFFFAOYSA-N 0 0 349.347 0.778 20 5 ECBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000299709690 437104377 /nfs/dbraw/zinc/10/43/77/437104377.db2.gz QDQHSJVTDWRLBF-SNVBAGLBSA-N 0 0 334.332 0.497 20 5 ECBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C1=O ZINC000299717916 437106678 /nfs/dbraw/zinc/10/66/78/437106678.db2.gz RVWPSCWSAIGZTA-GFCCVEGCSA-N 0 0 348.359 0.839 20 5 ECBDRN CNS(=O)(=O)c1ccc2c(c1)N(c1ncc([N+](=O)[O-])cn1)CC2 ZINC000302167492 437141030 /nfs/dbraw/zinc/14/10/30/437141030.db2.gz SBKRMHVVDNKPCF-UHFFFAOYSA-N 0 0 335.345 0.987 20 5 ECBDRN CS(=O)(=O)c1cccc(N2CC(NC(=O)C3CC3)C2)c1[N+](=O)[O-] ZINC000302344991 437142435 /nfs/dbraw/zinc/14/24/35/437142435.db2.gz AQOOWKUFOPGEBS-UHFFFAOYSA-N 0 0 339.373 0.713 20 5 ECBDRN COC(=O)[C@@H](C)N(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CCC1 ZINC000276646156 437143715 /nfs/dbraw/zinc/14/37/15/437143715.db2.gz DFDVVGADDRVJFT-SNVBAGLBSA-N 0 0 337.332 0.699 20 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/nfs/dbraw/zinc/15/87/18/437158718.db2.gz PWVFBDWOMNGQGW-NSHDSACASA-N 0 0 347.379 0.769 20 5 ECBDRN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286689977 437117793 /nfs/dbraw/zinc/11/77/93/437117793.db2.gz FMTMWRXPHHKUCT-ZANVPECISA-N 0 0 334.336 0.928 20 5 ECBDRN CN(c1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000301232244 437118194 /nfs/dbraw/zinc/11/81/94/437118194.db2.gz JXWXCHDWTIAQSW-ZCFIWIBFSA-N 0 0 334.258 0.566 20 5 ECBDRN CC(=O)NC[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CCO1 ZINC000265392669 437120026 /nfs/dbraw/zinc/12/00/26/437120026.db2.gz NQZYIYIGXLTOIA-NSHDSACASA-N 0 0 336.348 0.463 20 5 ECBDRN CNC(=O)N[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331564363 437120827 /nfs/dbraw/zinc/12/08/27/437120827.db2.gz KXMUKIBUCCDMBT-FZMZJTMJSA-N 0 0 347.375 0.703 20 5 ECBDRN C[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)c1nncn1C ZINC000286724314 437122765 /nfs/dbraw/zinc/12/27/65/437122765.db2.gz PRKRIWSQSXNCBX-QMMMGPOBSA-N 0 0 340.365 0.586 20 5 ECBDRN NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000276564258 437128651 /nfs/dbraw/zinc/12/86/51/437128651.db2.gz HNYMBGLJCVEMSQ-KBPBESRZSA-N 0 0 348.359 0.276 20 5 ECBDRN C[C@H](C(=O)N1CCOCC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000301782410 437130100 /nfs/dbraw/zinc/13/01/00/437130100.db2.gz JJLXINBGKMIQDP-CYBMUJFWSA-N 0 0 349.391 0.359 20 5 ECBDRN CS(=O)(=O)c1cccc(N2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000301892337 437133444 /nfs/dbraw/zinc/13/34/44/437133444.db2.gz MIVQNVQCUFRKMA-VIFPVBQESA-N 0 0 327.362 0.700 20 5 ECBDRN CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276604903 437134781 /nfs/dbraw/zinc/13/47/81/437134781.db2.gz YPBHJMZARSIATG-LLVKDONJSA-N 0 0 345.402 0.737 20 5 ECBDRN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000265489188 437139163 /nfs/dbraw/zinc/13/91/63/437139163.db2.gz FWKUXFREMAWIQU-ZJUUUORDSA-N 0 0 330.366 0.215 20 5 ECBDRN CN([C@H]1CCN(C)C1=O)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000265661733 437171494 /nfs/dbraw/zinc/17/14/94/437171494.db2.gz SALLDEDQCHWWSZ-VIFPVBQESA-N 0 0 331.325 0.585 20 5 ECBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)CO)c(C)c1[N+](=O)[O-] ZINC000276887020 437172439 /nfs/dbraw/zinc/17/24/39/437172439.db2.gz SYQAQSVGIYNMPB-ZCFIWIBFSA-N 0 0 333.322 0.779 20 5 ECBDRN COc1cc(C(=O)N(C)[C@@H]2CCN(C)C2=O)c([N+](=O)[O-])cc1OC ZINC000265669533 437173380 /nfs/dbraw/zinc/17/33/80/437173380.db2.gz RELSHPMTEQXEBV-SNVBAGLBSA-N 0 0 337.332 0.915 20 5 ECBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Oc1ccc(OCC(N)=O)cc1 ZINC000265728006 437182337 /nfs/dbraw/zinc/18/23/37/437182337.db2.gz QNQRGISJMQXYCL-UHFFFAOYSA-N 0 0 348.315 0.960 20 5 ECBDRN Cc1cc(C)c(S(=O)(=O)NCCC(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000277054146 437188836 /nfs/dbraw/zinc/18/88/36/437188836.db2.gz MHCHPTJKKYWIOY-UHFFFAOYSA-N 0 0 344.349 0.075 20 5 ECBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCN2CCOC[C@@H]2C1 ZINC000332029206 437196683 /nfs/dbraw/zinc/19/66/83/437196683.db2.gz NPYDXYXOUMNNKN-HNNXBMFYSA-N 0 0 334.376 0.863 20 5 ECBDRN CC[C@@H](COC)NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000265848457 437199636 /nfs/dbraw/zinc/19/96/36/437199636.db2.gz YSBWALVSKRTMGE-NSHDSACASA-N 0 0 339.348 0.874 20 5 ECBDRN CNC(=O)CCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000277193476 437200454 /nfs/dbraw/zinc/20/04/54/437200454.db2.gz KYDRVHYMQHYBOK-UHFFFAOYSA-N 0 0 338.320 0.947 20 5 ECBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000319184054 437201621 /nfs/dbraw/zinc/20/16/21/437201621.db2.gz KSIACIIUFIOBFA-MWLCHTKSSA-N 0 0 330.362 0.995 20 5 ECBDRN COc1ccc(S(=O)(=O)N2CC[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC000320036525 437205407 /nfs/dbraw/zinc/20/54/07/437205407.db2.gz WSAVPZSAASIGQC-SNVBAGLBSA-N 0 0 330.362 0.996 20 5 ECBDRN C[C@@H](O)C[C@H](C)CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000265896373 437207230 /nfs/dbraw/zinc/20/72/30/437207230.db2.gz SIBWDRVXJDVCNS-VHSXEESVSA-N 0 0 349.343 0.714 20 5 ECBDRN COC(=O)c1cc(NC(=O)NC(CO)CO)c(C)c([N+](=O)[O-])c1 ZINC000277295008 437208216 /nfs/dbraw/zinc/20/82/16/437208216.db2.gz TZNDWUNSIUMSRM-UHFFFAOYSA-N 0 0 327.293 0.165 20 5 ECBDRN CNc1ccc(C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000320769725 437209194 /nfs/dbraw/zinc/20/91/94/437209194.db2.gz WSJJAPSXKLNVJJ-WPRPVWTQSA-N 0 0 327.362 0.942 20 5 ECBDRN COC(=O)c1cc(NC(=O)NOCC(N)=O)c(C)c([N+](=O)[O-])c1 ZINC000277405205 437215178 /nfs/dbraw/zinc/21/51/78/437215178.db2.gz LBHWELRKKCYSON-UHFFFAOYSA-N 0 0 326.265 0.228 20 5 ECBDRN COc1ccc(S(=O)(=O)N(C)Cc2nncn2C)c([N+](=O)[O-])c1 ZINC000287174961 437167795 /nfs/dbraw/zinc/16/77/95/437167795.db2.gz DSWHMWVXNWFRLS-UHFFFAOYSA-N 0 0 341.349 0.553 20 5 ECBDRN CCn1nccc1N1CCC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1=O ZINC000276851836 437169125 /nfs/dbraw/zinc/16/91/25/437169125.db2.gz XYBNCXZTKJNZKO-SECBINFHSA-N 0 0 346.351 0.791 20 5 ECBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)CS(C)(=O)=O ZINC000266934415 437266793 /nfs/dbraw/zinc/26/67/93/437266793.db2.gz OGIGCNCGSSXXHH-SECBINFHSA-N 0 0 330.362 0.900 20 5 ECBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H]1CO ZINC000179623811 437269136 /nfs/dbraw/zinc/26/91/36/437269136.db2.gz OBGLGFCVNCRLNW-SECBINFHSA-N 0 0 341.751 0.961 20 5 ECBDRN Cn1cc([C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CCO2)cn1 ZINC000332395951 437219069 /nfs/dbraw/zinc/21/90/69/437219069.db2.gz LLQSJELSEVFFRI-ZDUSSCGKSA-N 0 0 347.331 0.090 20 5 ECBDRN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCN1CC2 ZINC000178647968 437222829 /nfs/dbraw/zinc/22/28/29/437222829.db2.gz GUWIBGIBWSIJLW-CYBMUJFWSA-N 0 0 333.392 0.513 20 5 ECBDRN CNC(=O)[C@@H](NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C(C)C ZINC000178690584 437224269 /nfs/dbraw/zinc/22/42/69/437224269.db2.gz BPEUFYIGWPHMLA-LBPRGKRZSA-N 0 0 325.369 0.685 20 5 ECBDRN Cn1nccc1NC(=O)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000178763600 437228322 /nfs/dbraw/zinc/22/83/22/437228322.db2.gz KSXOTJHHVSETNO-UHFFFAOYSA-N 0 0 332.320 0.495 20 5 ECBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1nc[nH]n1 ZINC000266697748 437230493 /nfs/dbraw/zinc/23/04/93/437230493.db2.gz FGWAIEHSQBADKE-SSDOTTSWSA-N 0 0 339.333 0.607 20 5 ECBDRN Cn1nc2c(cc1=O)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000266721394 437234632 /nfs/dbraw/zinc/23/46/32/437234632.db2.gz SKWYNNPAOSJZEJ-UHFFFAOYSA-N 0 0 328.328 0.816 20 5 ECBDRN CC1(C)C(=O)NCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000178951459 437242346 /nfs/dbraw/zinc/24/23/46/437242346.db2.gz FRKOUPDWJAPNSF-UHFFFAOYSA-N 0 0 341.389 0.678 20 5 ECBDRN CCc1nn(C)c(N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000277790091 437253842 /nfs/dbraw/zinc/25/38/42/437253842.db2.gz GGPDCHFPHAQWNK-RYUDHWBXSA-N 0 0 334.380 0.837 20 5 ECBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCC(=O)NC1=O ZINC000179424771 437263507 /nfs/dbraw/zinc/26/35/07/437263507.db2.gz OVIVXZUXEPRQOR-LBPRGKRZSA-N 0 0 330.300 0.540 20 5 ECBDRN COC(=O)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000180825066 437302540 /nfs/dbraw/zinc/30/25/40/437302540.db2.gz JVYHVWKSYBUDME-JTQLQIEISA-N 0 0 325.321 0.897 20 5 ECBDRN COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000336878567 437305047 /nfs/dbraw/zinc/30/50/47/437305047.db2.gz GLBJNVWNYXQCFJ-CYBMUJFWSA-N 0 0 332.316 0.761 20 5 ECBDRN CN(CC(=O)NC[C@H]1CCCN(C(N)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000288353367 437313352 /nfs/dbraw/zinc/31/33/52/437313352.db2.gz WHQUBKCYNUCZID-GFCCVEGCSA-N 0 0 349.391 0.938 20 5 ECBDRN Cc1cc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)c(N)c([N+](=O)[O-])c1 ZINC000267285690 437314148 /nfs/dbraw/zinc/31/41/48/437314148.db2.gz XCRRANZWXFVNIN-JTQLQIEISA-N 0 0 334.332 0.751 20 5 ECBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(CC(=O)NC(C)C)CC1 ZINC000288046925 437271459 /nfs/dbraw/zinc/27/14/59/437271459.db2.gz DYHKFZCCYUJFKN-UHFFFAOYSA-N 0 0 338.412 0.766 20 5 ECBDRN COC(=O)[C@@H](CF)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000288049977 437271973 /nfs/dbraw/zinc/27/19/73/437271973.db2.gz DUBPTHQYKGGTNT-SNVBAGLBSA-N 0 0 348.308 0.239 20 5 ECBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000278094345 437280608 /nfs/dbraw/zinc/28/06/08/437280608.db2.gz YTLZSMLSYVHFGK-UHFFFAOYSA-N 0 0 334.376 0.925 20 5 ECBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1COCCN1CC1CCC1 ZINC000288130927 437282544 /nfs/dbraw/zinc/28/25/44/437282544.db2.gz KDTNCYMTDOSMHL-CQSZACIVSA-N 0 0 337.380 0.408 20 5 ECBDRN CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000267039670 437283566 /nfs/dbraw/zinc/28/35/66/437283566.db2.gz BPQPBYJZGAZOPA-SECBINFHSA-N 0 0 345.377 0.606 20 5 ECBDRN C[C@H](CF)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000288133641 437283962 /nfs/dbraw/zinc/28/39/62/437283962.db2.gz WDXCSHXDQSVATM-SECBINFHSA-N 0 0 333.341 0.690 20 5 ECBDRN COc1cc(Cc2noc(Cn3cnnn3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000278191215 437290133 /nfs/dbraw/zinc/29/01/33/437290133.db2.gz VXFYLHYMYLPIMK-UHFFFAOYSA-N 0 0 347.291 0.621 20 5 ECBDRN Cc1c(F)cc(S(=O)(=O)NC[C@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000278796682 437345253 /nfs/dbraw/zinc/34/52/53/437345253.db2.gz RAKQCRFUNPMPLS-NOZJJQNGSA-N 0 0 348.352 0.861 20 5 ECBDRN COC(=O)[C@]1(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000268055873 437360225 /nfs/dbraw/zinc/36/02/25/437360225.db2.gz NQUMJEBEFQEFPH-ZDUSSCGKSA-N 0 0 344.345 0.514 20 5 ECBDRN C[C@H]1OCC[C@]1(O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000279051170 437368336 /nfs/dbraw/zinc/36/83/36/437368336.db2.gz AVPAKLWTHMXJOX-OQPBUACISA-N 0 0 325.277 0.773 20 5 ECBDRN Cc1c(NC(=O)CCN2CCN3C(=O)NC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000267867152 437335520 /nfs/dbraw/zinc/33/55/20/437335520.db2.gz ZBQKNTMDCSUZNT-LBPRGKRZSA-N 0 0 347.375 0.941 20 5 ECBDRN CC[C@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000288623668 437338832 /nfs/dbraw/zinc/33/88/32/437338832.db2.gz JPWAGXOFJRUIQA-APPZFPTMSA-N 0 0 330.366 0.664 20 5 ECBDRN COC(=O)c1cc(CNc2ncc([N+](=O)[O-])c(N)n2)ccc1OC ZINC000338323879 437405161 /nfs/dbraw/zinc/40/51/61/437405161.db2.gz LIWQDOSZSPNXFM-UHFFFAOYSA-N 0 0 333.304 0.796 20 5 ECBDRN COc1cc(CNCC2(S(C)(=O)=O)CC2)c([N+](=O)[O-])cc1O ZINC000279631065 437431455 /nfs/dbraw/zinc/43/14/55/437431455.db2.gz IBDLYPWHTICBFO-UHFFFAOYSA-N 0 0 330.362 0.976 20 5 ECBDRN C[C@H]1OCC[C@@]1(O)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000279503113 437416306 /nfs/dbraw/zinc/41/63/06/437416306.db2.gz NYWQNBMIZFDCON-MEBBXXQBSA-N 0 0 338.316 0.442 20 5 ECBDRN Cc1cc(C(=O)NCC(=O)N2CC[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000338755665 437418489 /nfs/dbraw/zinc/41/84/89/437418489.db2.gz HEMSIKMWTJKLBC-OAHLLOKOSA-N 0 0 339.323 0.566 20 5 ECBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000337704401 437377603 /nfs/dbraw/zinc/37/76/03/437377603.db2.gz ZBSGCAHWOLLLGO-UHFFFAOYSA-N 0 0 347.331 1.140 20 5 ECBDRN Cc1cc(C(=O)NCC(=O)N2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000183298706 437381792 /nfs/dbraw/zinc/38/17/92/437381792.db2.gz OFABFZGODVQEEW-UHFFFAOYSA-N 0 0 346.387 0.940 20 5 ECBDRN CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000268219203 437383855 /nfs/dbraw/zinc/38/38/55/437383855.db2.gz JQYMQWCLUXXKCS-YUMQZZPRSA-N 0 0 330.370 0.097 20 5 ECBDRN NC(=O)[C@@H]1CC[C@H](C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)O1 ZINC000289171631 437387026 /nfs/dbraw/zinc/38/70/26/437387026.db2.gz QNEMJLDBXJDDOF-VHSXEESVSA-N 0 0 346.303 0.351 20 5 ECBDRN Cc1nnc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1C ZINC000338174166 437398344 /nfs/dbraw/zinc/39/83/44/437398344.db2.gz BXISCFPORJVXHC-UHFFFAOYSA-N 0 0 339.333 0.688 20 5 ECBDRN COC[C@H](CCO)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000339507085 437469858 /nfs/dbraw/zinc/46/98/58/437469858.db2.gz GPSDKKHTJTVTQI-JTQLQIEISA-N 0 0 328.321 0.739 20 5 ECBDRN C[C@@H](O)CN(CCO)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000290201015 437470590 /nfs/dbraw/zinc/47/05/90/437470590.db2.gz MUZBKRUSNFOTRU-LLVKDONJSA-N 0 0 332.378 0.142 20 5 ECBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000186636284 437479585 /nfs/dbraw/zinc/47/95/85/437479585.db2.gz LKFJQVRWCRFNAB-JTQLQIEISA-N 0 0 338.389 0.693 20 5 ECBDRN NC(=O)c1ccnc(N2CCC[C@H](C(=O)NCC3CC3)C2)c1[N+](=O)[O-] ZINC000290431366 437485799 /nfs/dbraw/zinc/48/57/99/437485799.db2.gz AVWZLRWTYZDDQL-NSHDSACASA-N 0 0 347.375 0.831 20 5 ECBDRN C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCN1CCO ZINC000343034517 437486394 /nfs/dbraw/zinc/48/63/94/437486394.db2.gz AVDFRJRPGFSOKA-JTQLQIEISA-N 0 0 333.348 0.746 20 5 ECBDRN Cc1nc(N2CCC[C@H](CNS(N)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000268528016 437432214 /nfs/dbraw/zinc/43/22/14/437432214.db2.gz WJBOOUMUXADFDJ-SNVBAGLBSA-N 0 0 329.382 0.308 20 5 ECBDRN C[C@@H](CCO)CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000268895209 437436682 /nfs/dbraw/zinc/43/66/82/437436682.db2.gz SYBGQDRQSFOCSC-VIFPVBQESA-N 0 0 341.389 0.921 20 5 ECBDRN CS(=O)(=O)c1cc(C(=O)N(CCO)C2CC2)cc([N+](=O)[O-])c1 ZINC000268893452 437437150 /nfs/dbraw/zinc/43/71/50/437437150.db2.gz XECLZSLTPNTJTD-UHFFFAOYSA-N 0 0 328.346 0.595 20 5 ECBDRN C[C@H](C(=O)NCC(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185567040 437443340 /nfs/dbraw/zinc/44/33/40/437443340.db2.gz RVXKEMLYKJTSPJ-JTQLQIEISA-N 0 0 339.323 0.812 20 5 ECBDRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269031904 437447366 /nfs/dbraw/zinc/44/73/66/437447366.db2.gz JBJVLBHBOYQKHK-NXEZZACHSA-N 0 0 347.397 0.254 20 5 ECBDRN CN(C)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000269065641 437450551 /nfs/dbraw/zinc/45/05/51/437450551.db2.gz LKVKYOFTDWKNOH-GFCCVEGCSA-N 0 0 334.332 0.613 20 5 ECBDRN CC[C@H](CO)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185858086 437454784 /nfs/dbraw/zinc/45/47/84/437454784.db2.gz RTCXQJFZTWZGHQ-GFCCVEGCSA-N 0 0 343.405 0.672 20 5 ECBDRN COC(=O)c1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cn1C ZINC000269165586 437462711 /nfs/dbraw/zinc/46/27/11/437462711.db2.gz VTLKHYOSPCQIMR-UHFFFAOYSA-N 0 0 336.308 0.738 20 5 ECBDRN O=C(CN1CC(=O)NC1=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269213300 437468250 /nfs/dbraw/zinc/46/82/50/437468250.db2.gz RVFOOLLRLUBCGG-UHFFFAOYSA-N 0 0 332.316 0.638 20 5 ECBDRN Nc1ncncc1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000339722716 437500413 /nfs/dbraw/zinc/50/04/13/437500413.db2.gz XJTOJOGJNPHSRS-UHFFFAOYSA-N 0 0 344.331 0.403 20 5 ECBDRN Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000330413093 437504942 /nfs/dbraw/zinc/50/49/42/437504942.db2.gz MGHAVMXAZHZGKX-LBPRGKRZSA-N 0 0 343.405 0.902 20 5 ECBDRN COC(=O)c1ccc2[nH]c(CNC(=O)c3[nH]ncc3[N+](=O)[O-])nc2c1 ZINC000354060473 437518532 /nfs/dbraw/zinc/51/85/32/437518532.db2.gz DZEVRCWNGIGSOH-UHFFFAOYSA-N 0 0 344.287 0.911 20 5 ECBDRN Cc1cc(C(=O)NCC(=O)NCC2(CCO)CC2)ccc1[N+](=O)[O-] ZINC000188041716 437522752 /nfs/dbraw/zinc/52/27/52/437522752.db2.gz ZKJJBUMEAOGSOR-UHFFFAOYSA-N 0 0 335.360 0.912 20 5 ECBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCn1cnc2ccccc21 ZINC000343166190 437523446 /nfs/dbraw/zinc/52/34/46/437523446.db2.gz YFAFTXRVJWPZTD-UHFFFAOYSA-N 0 0 341.327 0.923 20 5 ECBDRN CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000360117350 437525881 /nfs/dbraw/zinc/52/58/81/437525881.db2.gz LQQWNZLOVNZRGV-ZJUUUORDSA-N 0 0 342.377 0.569 20 5 ECBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCn2ncnn2)c1C ZINC000360132847 437531099 /nfs/dbraw/zinc/53/10/99/437531099.db2.gz QLXHXBGQSWRRIM-UHFFFAOYSA-N 0 0 326.338 0.177 20 5 ECBDRN Cn1nccc1COCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000340004150 437545407 /nfs/dbraw/zinc/54/54/07/437545407.db2.gz FHBPZLZFVYZOOM-UHFFFAOYSA-N 0 0 331.332 0.825 20 5 ECBDRN CCN(C)C(=O)[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000188439345 437550240 /nfs/dbraw/zinc/55/02/40/437550240.db2.gz VEVRWMBQAZLFBX-LLVKDONJSA-N 0 0 343.405 0.924 20 5 ECBDRN COCC[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(N)=O ZINC000343297646 437551342 /nfs/dbraw/zinc/55/13/42/437551342.db2.gz HSWOIXAAAYIDQM-LBPRGKRZSA-N 0 0 347.331 0.401 20 5 ECBDRN C/C=C\C[C@H](CO)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000354185524 437551566 /nfs/dbraw/zinc/55/15/66/437551566.db2.gz CQSVQTFKLCUARX-MXQLGCADSA-N 0 0 347.327 0.634 20 5 ECBDRN CCOCCNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000340065131 437561500 /nfs/dbraw/zinc/56/15/00/437561500.db2.gz VKSGOIRUQCNBFW-UHFFFAOYSA-N 0 0 339.352 0.108 20 5 ECBDRN CCn1cc(S(=O)(=O)N(C)CC2CCOCC2)c([N+](=O)[O-])n1 ZINC000330598839 437562752 /nfs/dbraw/zinc/56/27/52/437562752.db2.gz WUVNGQJVYCJZMD-UHFFFAOYSA-N 0 0 332.382 0.858 20 5 ECBDRN Cn1nccc1[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC(=O)N1C ZINC000343357093 437568452 /nfs/dbraw/zinc/56/84/52/437568452.db2.gz SVEHSNNWJDHULE-HZMBPMFUSA-N 0 0 346.347 0.748 20 5 ECBDRN Cc1c(CNC(=O)C(=O)N(CCO)CC(F)F)cccc1[N+](=O)[O-] ZINC000360283650 437575296 /nfs/dbraw/zinc/57/52/96/437575296.db2.gz BQLVEQAUNQYFJO-UHFFFAOYSA-N 0 0 345.302 0.605 20 5 ECBDRN Cc1cc(C(=O)NCC(=O)NC[C@@H]2COCCO2)ccc1[N+](=O)[O-] ZINC000360303367 437580934 /nfs/dbraw/zinc/58/09/34/437580934.db2.gz FQWOGRYFPKYQAO-GFCCVEGCSA-N 0 0 337.332 0.165 20 5 ECBDRN CN(c1ncc([N+](=O)[O-])c(N)n1)C1CCN(c2ncccn2)CC1 ZINC000360367630 437589861 /nfs/dbraw/zinc/58/98/61/437589861.db2.gz UDXCSQURCUACOY-UHFFFAOYSA-N 0 0 330.352 0.862 20 5 ECBDRN 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587543165 /nfs/dbraw/zinc/54/31/65/587543165.db2.gz OSHFNKPXMXJYFO-UHFFFAOYSA-N 0 0 348.406 0.546 20 5 ECBDRN CCC(=O)N1CC[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820838047 587559310 /nfs/dbraw/zinc/55/93/10/587559310.db2.gz OWXFSFBDIZKJQR-QMMMGPOBSA-N 0 0 332.324 0.593 20 5 ECBDRN CCc1nnc(Sc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)n1N ZINC000821548726 587599695 /nfs/dbraw/zinc/59/96/95/587599695.db2.gz VOYOTUOEHPNMKK-UHFFFAOYSA-N 0 0 334.325 0.189 20 5 ECBDRN COC(=O)[C@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H]1C ZINC000821657509 587615112 /nfs/dbraw/zinc/61/51/12/587615112.db2.gz PDBRDFUIJLIURE-APPZFPTMSA-N 0 0 333.308 0.415 20 5 ECBDRN COCCOC1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821691723 587623173 /nfs/dbraw/zinc/62/31/73/587623173.db2.gz BUNJZEVCFAZBRV-UHFFFAOYSA-N 0 0 349.351 0.802 20 5 ECBDRN C[C@@H](CS(=O)(=O)N1CCCC1)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000821999777 587640161 /nfs/dbraw/zinc/64/01/61/587640161.db2.gz YDLYDUNRPBUIIC-JTQLQIEISA-N 0 0 345.377 0.904 20 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CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)N(C)C1 ZINC000285077676 264275171 /nfs/dbraw/zinc/27/51/71/264275171.db2.gz OYZIMPYDJRWXJS-STQMWFEESA-N 0 0 343.405 0.934 20 5 ECBDRN CCC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)C(N)=O ZINC000285496211 264318458 /nfs/dbraw/zinc/31/84/58/264318458.db2.gz XDTYNXIQMZGPED-VIFPVBQESA-N 0 0 333.341 0.975 20 5 ECBDRN O=C(NCc1ccnc(N2CCOCC2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285555954 264322905 /nfs/dbraw/zinc/32/29/05/264322905.db2.gz STRCVCOIDBKUTK-UHFFFAOYSA-N 0 0 332.320 0.480 20 5 ECBDRN CCn1cnc2c(c1=O)CCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000286093129 264369665 /nfs/dbraw/zinc/36/96/65/264369665.db2.gz KSZNZFUARGYBGK-UHFFFAOYSA-N 0 0 345.359 0.391 20 5 ECBDRN COC(=O)c1cc(C)nc(N[C@H](CO)c2cnn(C)c2)c1[N+](=O)[O-] ZINC000286409044 264395930 /nfs/dbraw/zinc/39/59/30/264395930.db2.gz GLUDSJNZBPPSMP-LLVKDONJSA-N 0 0 335.320 0.964 20 5 ECBDRN NC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000286471992 264399738 /nfs/dbraw/zinc/39/97/38/264399738.db2.gz TXDNSTQKAOUHBJ-LBPRGKRZSA-N 0 0 336.348 0.161 20 5 ECBDRN CC(=O)NC[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCO1 ZINC000287521398 264457416 /nfs/dbraw/zinc/45/74/16/264457416.db2.gz ZWKQINYPDNVFSQ-VIFPVBQESA-N 0 0 337.361 0.941 20 5 ECBDRN CC(C)(CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])OCCO ZINC000288627851 264534558 /nfs/dbraw/zinc/53/45/58/264534558.db2.gz NMHUEWXTKBNOFY-UHFFFAOYSA-N 0 0 346.405 0.844 20 5 ECBDRN C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C(=O)O1 ZINC000288756337 264540008 /nfs/dbraw/zinc/54/00/08/264540008.db2.gz YPVTXHODQHLHGZ-ZYHUDNBSSA-N 0 0 349.343 0.865 20 5 ECBDRN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCCN1S(C)(=O)=O ZINC000289020018 264551244 /nfs/dbraw/zinc/55/12/44/264551244.db2.gz XWONPDNXLIBCCC-SNVBAGLBSA-N 0 0 331.398 0.956 20 5 ECBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1COC[C@H]1O ZINC000290632306 264620397 /nfs/dbraw/zinc/62/03/97/264620397.db2.gz YSRZKNMYXHYSKW-CHWSQXEVSA-N 0 0 337.332 0.314 20 5 ECBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000291379430 264687821 /nfs/dbraw/zinc/68/78/21/264687821.db2.gz UVZVLQGXIOJOAN-VIFPVBQESA-N 0 0 334.332 0.443 20 5 ECBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCO1 ZINC000291401312 264689270 /nfs/dbraw/zinc/68/92/70/264689270.db2.gz XGMIKQZFZPVDFD-UHFFFAOYSA-N 0 0 344.349 0.220 20 5 ECBDRN CN(C)S(=O)(=O)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000292315585 264787775 /nfs/dbraw/zinc/78/77/75/264787775.db2.gz IMVGDGPSUCCBPJ-UHFFFAOYSA-N 0 0 344.393 0.328 20 5 ECBDRN O=C(NCCCn1cc(CO)nn1)NCCc1cccc([N+](=O)[O-])c1 ZINC000292842824 264841668 /nfs/dbraw/zinc/84/16/68/264841668.db2.gz FWVNIKQGNHXMBJ-UHFFFAOYSA-N 0 0 348.363 0.611 20 5 ECBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000293684777 264909280 /nfs/dbraw/zinc/90/92/80/264909280.db2.gz HKAFAFCSFRISAA-ZUZCIYMTSA-N 0 0 345.359 0.874 20 5 ECBDRN CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000293741933 264916976 /nfs/dbraw/zinc/91/69/76/264916976.db2.gz LLYUUWHCVMAIQV-GFCCVEGCSA-N 0 0 341.389 0.630 20 5 ECBDRN CCOC(=O)C(F)(F)[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000294502559 265001092 /nfs/dbraw/zinc/00/10/92/265001092.db2.gz ZYKWRHDPEKDVRX-LLVKDONJSA-N 0 0 346.290 0.885 20 5 ECBDRN NS(=O)(=O)CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000294517535 265002537 /nfs/dbraw/zinc/00/25/37/265002537.db2.gz UEWIIBATUWZEMZ-UHFFFAOYSA-N 0 0 349.796 0.976 20 5 ECBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](O)CC1 ZINC000294558701 265006241 /nfs/dbraw/zinc/00/62/41/265006241.db2.gz MDTBUHYYVVQBPA-LLVKDONJSA-N 0 0 337.332 0.915 20 5 ECBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCCNS(=O)(=O)N(C)C ZINC000294594537 265007275 /nfs/dbraw/zinc/00/72/75/265007275.db2.gz ZMJIMZRAMWSJBS-UHFFFAOYSA-N 0 0 330.366 0.029 20 5 ECBDRN CN1CC[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1=O ZINC000294789018 265024496 /nfs/dbraw/zinc/02/44/96/265024496.db2.gz BHXCSNDLSGPVKY-LLVKDONJSA-N 0 0 329.316 0.945 20 5 ECBDRN COC[C@]1(C(=O)OC)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000294896443 265032551 /nfs/dbraw/zinc/03/25/51/265032551.db2.gz DKSGCNFSXRGMSW-HNNXBMFYSA-N 0 0 337.332 0.710 20 5 ECBDRN CCOC(=O)COCCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000294995393 265038321 /nfs/dbraw/zinc/03/83/21/265038321.db2.gz NQHLEFAHNXMODH-UHFFFAOYSA-N 0 0 327.293 0.768 20 5 ECBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CCC(O)CC1 ZINC000295256352 265055533 /nfs/dbraw/zinc/05/55/33/265055533.db2.gz GLFMGQOZCJQJLE-UHFFFAOYSA-N 0 0 343.405 0.638 20 5 ECBDRN COCC1(O)CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000295453179 265066123 /nfs/dbraw/zinc/06/61/23/265066123.db2.gz ALKFCUNSNIFHFY-UHFFFAOYSA-N 0 0 325.277 0.645 20 5 ECBDRN COc1cc(C(=O)NC[C@@H]2CN3CCN2CC3)c([N+](=O)[O-])cc1F ZINC000295462389 265066726 /nfs/dbraw/zinc/06/67/26/265066726.db2.gz OJCGITUXUJGDIM-SNVBAGLBSA-N 0 0 338.339 0.472 20 5 ECBDRN C[C@H](NC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000296323637 265103823 /nfs/dbraw/zinc/10/38/23/265103823.db2.gz GGKAUTPZSUDFIH-BIMULSAOSA-N 0 0 336.348 0.988 20 5 ECBDRN C[C@H](NC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000296323641 265104720 /nfs/dbraw/zinc/10/47/20/265104720.db2.gz GGKAUTPZSUDFIH-ZWKOPEQDSA-N 0 0 336.348 0.988 20 5 ECBDRN O=C(N[C@@H]1COC[C@H]1O)c1ccc([N+](=O)[O-])cc1Br ZINC000296897363 265124025 /nfs/dbraw/zinc/12/40/25/265124025.db2.gz KDJLYIXUSKOCLJ-NXEZZACHSA-N 0 0 331.122 0.847 20 5 ECBDRN Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000297357847 265142011 /nfs/dbraw/zinc/14/20/11/265142011.db2.gz KWEAOCDKHCZJGS-CQSZACIVSA-N 0 0 325.296 0.964 20 5 ECBDRN CNC(=O)[C@H](C)NC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000297913502 265200051 /nfs/dbraw/zinc/20/00/51/265200051.db2.gz UGAPXHQZGAQSJZ-QMMMGPOBSA-N 0 0 338.320 0.946 20 5 ECBDRN COC(=O)C[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000298299350 265236515 /nfs/dbraw/zinc/23/65/15/265236515.db2.gz QBNJXPHVGGTKED-ZJUUUORDSA-N 0 0 337.332 0.781 20 5 ECBDRN COC(=O)[C@H](F)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000298590445 265264552 /nfs/dbraw/zinc/26/45/52/265264552.db2.gz IJYRWLQGQVANTJ-QMTHXVAHSA-N 0 0 339.279 0.873 20 5 ECBDRN COC[C@@H](CNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)OC ZINC000298631343 265268411 /nfs/dbraw/zinc/26/84/11/265268411.db2.gz OROUUMWZHWAFST-LLVKDONJSA-N 0 0 339.348 0.928 20 5 ECBDRN COC(=O)[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000298806792 265283824 /nfs/dbraw/zinc/28/38/24/265283824.db2.gz PAIBDTKIWLEPMU-CYBMUJFWSA-N 0 0 337.332 0.638 20 5 ECBDRN COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)N1CCOCC1 ZINC000298886053 265293603 /nfs/dbraw/zinc/29/36/03/265293603.db2.gz ROPSABZRZWLOIS-UHFFFAOYSA-N 0 0 331.350 0.270 20 5 ECBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(CO)CC1 ZINC000298990717 265315821 /nfs/dbraw/zinc/31/58/21/265315821.db2.gz RGZHLWUWDAXBBH-UHFFFAOYSA-N 0 0 337.332 0.773 20 5 ECBDRN CCN(CC(=O)OC)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000299140404 265342044 /nfs/dbraw/zinc/34/20/44/265342044.db2.gz HNRDMQXOFFNQPI-UHFFFAOYSA-N 0 0 333.304 0.811 20 5 ECBDRN NC(=O)[C@H]1CCCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000299147804 265342313 /nfs/dbraw/zinc/34/23/13/265342313.db2.gz CRZPTPWQVQXCTE-GFCCVEGCSA-N 0 0 344.331 0.656 20 5 ECBDRN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000343500421 437594021 /nfs/dbraw/zinc/59/40/21/437594021.db2.gz FBESVWTUBDUJKR-HJIKLVIJSA-N 0 0 327.362 0.449 20 5 ECBDRN CC1(C)[C@@H](O)CCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000428544907 276159652 /nfs/dbraw/zinc/15/96/52/276159652.db2.gz YKGJDMMIDHBAHM-NSHDSACASA-N 0 0 343.361 0.228 20 5 ECBDRN CNS(=O)(=O)c1ccc(N2CCO[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000439576523 277291352 /nfs/dbraw/zinc/29/13/52/277291352.db2.gz UVFNKXMGMYJKDG-LBPRGKRZSA-N 0 0 331.350 0.312 20 5 ECBDRN CNc1nc(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000455906856 277303517 /nfs/dbraw/zinc/30/35/17/277303517.db2.gz OHXZVAMAIKVIOL-ONGXEEELSA-N 0 0 333.348 0.915 20 5 ECBDRN COC(=O)[C@@H]1CSCCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000412957548 277367160 /nfs/dbraw/zinc/36/71/60/277367160.db2.gz VNNCEVWYCHOTJK-QMMMGPOBSA-N 0 0 328.350 0.605 20 5 ECBDRN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000456207297 278001025 /nfs/dbraw/zinc/00/10/25/278001025.db2.gz GQNZRRYXCUGNPW-PHIMTYICSA-N 0 0 339.396 0.968 20 5 ECBDRN CC(=O)NC[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000176404185 278123262 /nfs/dbraw/zinc/12/32/62/278123262.db2.gz PEQYOJOEOFYJHA-HNNXBMFYSA-N 0 0 335.360 0.891 20 5 ECBDRN CC1(C)C(=O)NCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000066529048 278179151 /nfs/dbraw/zinc/17/91/51/278179151.db2.gz NDJKONYLOTWRCY-UHFFFAOYSA-N 0 0 332.360 0.694 20 5 ECBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@@H](O)C2(CC2)C1 ZINC000428197507 288092971 /nfs/dbraw/zinc/09/29/71/288092971.db2.gz WAMDHSUDPJXXIF-WDEREUQCSA-N 0 0 337.380 0.811 20 5 ECBDRN CCOC(=O)c1ccnc(N2CCCN(C(N)=O)CC2)c1[N+](=O)[O-] 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/nfs/dbraw/zinc/06/82/60/165068260.db2.gz OFIKKGRDIUNCBL-LLVKDONJSA-N 0 0 341.389 0.822 20 5 ECBDRN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000246174975 165124887 /nfs/dbraw/zinc/12/48/87/165124887.db2.gz GBVNTOXCQWGEGA-HZSPNIEDSA-N 0 0 326.353 0.032 20 5 ECBDRN COc1ccccc1[C@H]1CNCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000261951568 165267693 /nfs/dbraw/zinc/26/76/93/165267693.db2.gz LQMQTUPKQPCZSH-CYBMUJFWSA-N 0 0 345.359 0.973 20 5 ECBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc2c(c1)OCCO2 ZINC000299502892 296867018 /nfs/dbraw/zinc/86/70/18/296867018.db2.gz KSHCNIDXDAKOLW-UHFFFAOYSA-N 0 0 345.311 0.844 20 5 ECBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000408051314 165649536 /nfs/dbraw/zinc/64/95/36/165649536.db2.gz JHXYUBGAEPDJSQ-JTQLQIEISA-N 0 0 339.377 0.466 20 5 ECBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000299582565 296872060 /nfs/dbraw/zinc/87/20/60/296872060.db2.gz HUGNBJVUNVCMCE-SNVBAGLBSA-N 0 0 334.332 0.497 20 5 ECBDRN C[C@@H]1C(=O)N(C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000494721282 287172260 /nfs/dbraw/zinc/17/22/60/287172260.db2.gz LGTNWLQTMJDQGH-SECBINFHSA-N 0 0 335.316 0.669 20 5 ECBDRN CNC(=O)CCN(C)C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000299666872 296877304 /nfs/dbraw/zinc/87/73/04/296877304.db2.gz LYJHEQIIPPJJJE-UHFFFAOYSA-N 0 0 336.348 0.745 20 5 ECBDRN Cc1nn(C)c(NCC2CCN(S(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000299705138 296879696 /nfs/dbraw/zinc/87/96/96/296879696.db2.gz RZKOROJLXLFTHG-UHFFFAOYSA-N 0 0 331.398 0.720 20 5 ECBDRN C[C@H](C(=O)N1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301136717 296882485 /nfs/dbraw/zinc/88/24/85/296882485.db2.gz ALKWFIGOZXVAJZ-CYBMUJFWSA-N 0 0 349.391 0.359 20 5 ECBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)N(C)C)CC1 ZINC000301107962 296882142 /nfs/dbraw/zinc/88/21/42/296882142.db2.gz MZVNSDQHMURNRD-UHFFFAOYSA-N 0 0 335.364 0.758 20 5 ECBDRN Cc1cnc(N2CCC[C@H](CNS(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000301466095 296886640 /nfs/dbraw/zinc/88/66/40/296886640.db2.gz XMEKYVHDBDFTGO-SNVBAGLBSA-N 0 0 329.382 0.308 20 5 ECBDRN CS(=O)(=O)c1cccc(N2CCN(CCCO)CC2)c1[N+](=O)[O-] ZINC000301885668 296892732 /nfs/dbraw/zinc/89/27/32/296892732.db2.gz MBNGXEADCNQZKP-UHFFFAOYSA-N 0 0 343.405 0.503 20 5 ECBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@]1(O)CCc2ccccc21 ZINC000159123270 225151949 /nfs/dbraw/zinc/15/19/49/225151949.db2.gz PKMXCDOTAIAKDX-QGZVFWFLSA-N 0 0 343.339 0.707 20 5 ECBDRN CC(C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000359262498 299830604 /nfs/dbraw/zinc/83/06/04/299830604.db2.gz HGLPPHNXGFUBGA-VIFPVBQESA-N 0 0 325.321 0.680 20 5 ECBDRN O=C(CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)NC1CC1 ZINC000122241757 222045046 /nfs/dbraw/zinc/04/50/46/222045046.db2.gz YQOLIYSBMGPPHQ-UHFFFAOYSA-N 0 0 329.316 0.789 20 5 ECBDRN Cc1nn(CCC(=O)N2CCS(=O)(=O)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000122286699 222053724 /nfs/dbraw/zinc/05/37/24/222053724.db2.gz ALQBGZVRCVPIPE-VIFPVBQESA-N 0 0 344.393 0.444 20 5 ECBDRN Cc1sc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000122689322 222139739 /nfs/dbraw/zinc/13/97/39/222139739.db2.gz KCDVJBOSQJOKQG-UHFFFAOYSA-N 0 0 333.391 0.851 20 5 ECBDRN Cc1sc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000122826100 222166276 /nfs/dbraw/zinc/16/62/76/222166276.db2.gz LVOKGCBXPCAJOF-MRVPVSSYSA-N 0 0 333.391 0.851 20 5 ECBDRN C[C@H](O)C(=O)N1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000123461750 222280972 /nfs/dbraw/zinc/28/09/72/222280972.db2.gz UDWQQTMXMVTOHX-VIFPVBQESA-N 0 0 341.751 0.913 20 5 ECBDRN Cc1sc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000124160396 222384856 /nfs/dbraw/zinc/38/48/56/222384856.db2.gz NAOYTIYSUWRVGX-MRVPVSSYSA-N 0 0 327.362 0.630 20 5 ECBDRN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000194249753 287616162 /nfs/dbraw/zinc/61/61/62/287616162.db2.gz QQYBMNAXQLZLHN-NOZJJQNGSA-N 0 0 344.331 0.430 20 5 ECBDRN Cc1c(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000020678866 263139862 /nfs/dbraw/zinc/13/98/62/263139862.db2.gz QHLCSYJKXKKDLE-LLVKDONJSA-N 0 0 341.389 0.961 20 5 ECBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000057404835 263141378 /nfs/dbraw/zinc/14/13/78/263141378.db2.gz QEUSLQNWNLGXOJ-LBPRGKRZSA-N 0 0 343.361 0.168 20 5 ECBDRN C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000087208768 263143958 /nfs/dbraw/zinc/14/39/58/263143958.db2.gz VNYJFKYUKSHEDX-LBPRGKRZSA-N 0 0 335.360 0.891 20 5 ECBDRN COCCN1C[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC000088230885 263144288 /nfs/dbraw/zinc/14/42/88/263144288.db2.gz VFEQQWCXLGBILS-AWEZNQCLSA-N 0 0 347.371 0.974 20 5 ECBDRN Cc1c(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000129168545 263146592 /nfs/dbraw/zinc/14/65/92/263146592.db2.gz MTEVJZLYJRWVML-LLVKDONJSA-N 0 0 341.389 0.915 20 5 ECBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000160625555 263147547 /nfs/dbraw/zinc/14/75/47/263147547.db2.gz RODHOTLWHAKZCQ-UHFFFAOYSA-N 0 0 331.332 0.996 20 5 ECBDRN Cc1ccccc1C[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000190635486 263164029 /nfs/dbraw/zinc/16/40/29/263164029.db2.gz CXBCSWYWKVAMNJ-AWEZNQCLSA-N 0 0 345.355 0.785 20 5 ECBDRN CN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000194338617 263168755 /nfs/dbraw/zinc/16/87/55/263168755.db2.gz QEHJZOHXHLDDDW-UHFFFAOYSA-N 0 0 327.362 0.836 20 5 ECBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1C(=O)Cc2ccccc21 ZINC000195396083 263170940 /nfs/dbraw/zinc/17/09/40/263170940.db2.gz TUWOFIAFVBYSDU-UHFFFAOYSA-N 0 0 343.343 0.805 20 5 ECBDRN O=C(Cn1ccc([N+](=O)[O-])n1)NCCN1C(=O)Cc2ccccc21 ZINC000195398290 263171184 /nfs/dbraw/zinc/17/11/84/263171184.db2.gz CWNBUDGMOOTKBN-UHFFFAOYSA-N 0 0 329.316 0.497 20 5 ECBDRN COc1ccc(C(=O)NCC(=O)N[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000269677783 263196287 /nfs/dbraw/zinc/19/62/87/263196287.db2.gz LOHHBTXQMXKTCF-VIFPVBQESA-N 0 0 325.321 0.220 20 5 ECBDRN Cc1ccc(S(=O)(=O)NCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000269805883 263205827 /nfs/dbraw/zinc/20/58/27/263205827.db2.gz PXPOFYHWSIXWHE-UHFFFAOYSA-N 0 0 330.362 0.723 20 5 ECBDRN CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269902982 263211503 /nfs/dbraw/zinc/21/15/03/263211503.db2.gz ZTMZNZLKAHNPIA-UHFFFAOYSA-N 0 0 348.402 0.793 20 5 ECBDRN COCCOCCS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1OC ZINC000269910613 263212141 /nfs/dbraw/zinc/21/21/41/263212141.db2.gz VRDHGDBBPVQGAA-UHFFFAOYSA-N 0 0 335.334 0.975 20 5 ECBDRN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCOC1 ZINC000270080724 263221571 /nfs/dbraw/zinc/22/15/71/263221571.db2.gz FQRMWSSBURMYKE-CYBMUJFWSA-N 0 0 328.346 0.907 20 5 ECBDRN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000270124470 263223781 /nfs/dbraw/zinc/22/37/81/263223781.db2.gz NFRODRWTGGTFIE-CYBMUJFWSA-N 0 0 325.277 0.693 20 5 ECBDRN COC(=O)[C@@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000270242720 263229888 /nfs/dbraw/zinc/22/98/88/263229888.db2.gz LLMDYTXYOGYMHA-GFCCVEGCSA-N 0 0 346.386 0.922 20 5 ECBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(CCO)CC1 ZINC000270310587 263234262 /nfs/dbraw/zinc/23/42/62/263234262.db2.gz YTDLFFUDCQHBQT-UHFFFAOYSA-N 0 0 332.360 0.755 20 5 ECBDRN COCCN(CCO)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000270321943 263235202 /nfs/dbraw/zinc/23/52/02/263235202.db2.gz HJMVSHZILMXFGV-LLVKDONJSA-N 0 0 339.348 0.180 20 5 ECBDRN COC[C@@H](CCO)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000270349688 263237239 /nfs/dbraw/zinc/23/72/39/263237239.db2.gz BVKPDWOEMDKAIW-LLVKDONJSA-N 0 0 332.378 0.887 20 5 ECBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[C@H](CO)C1 ZINC000270374844 263238023 /nfs/dbraw/zinc/23/80/23/263238023.db2.gz NBHSRSRCPRKRGJ-VIFPVBQESA-N 0 0 333.300 0.032 20 5 ECBDRN CN(CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000270407002 263240322 /nfs/dbraw/zinc/24/03/22/263240322.db2.gz YIOKDJQGINMGRA-UHFFFAOYSA-N 0 0 327.322 0.301 20 5 ECBDRN C[C@](O)(CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(F)(F)F ZINC000270454675 263244070 /nfs/dbraw/zinc/24/40/70/263244070.db2.gz JLFFILKSKVMYTB-VIFPVBQESA-N 0 0 343.283 0.967 20 5 ECBDRN NC(=O)N[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000270555295 263251457 /nfs/dbraw/zinc/25/14/57/263251457.db2.gz HMMBJHDWVKOBCU-ZETCQYMHSA-N 0 0 332.313 0.165 20 5 ECBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](NC(N)=O)C2)cc1C ZINC000270612299 263257072 /nfs/dbraw/zinc/25/70/72/263257072.db2.gz YOMNJJKHKKFTLZ-SNVBAGLBSA-N 0 0 342.377 0.643 20 5 ECBDRN COC(=O)c1cc(C(=O)N2CC[C@@H](NC(N)=O)C2)cc([N+](=O)[O-])c1 ZINC000270632608 263258465 /nfs/dbraw/zinc/25/84/65/263258465.db2.gz LUZFALSICWRCGB-SNVBAGLBSA-N 0 0 336.304 0.264 20 5 ECBDRN COc1cc(OC)cc([C@@H](O)CNC(=O)c2[nH]ncc2[N+](=O)[O-])c1 ZINC000270687936 263263074 /nfs/dbraw/zinc/26/30/74/263263074.db2.gz BISBACWEBZSVKA-LBPRGKRZSA-N 0 0 336.304 0.799 20 5 ECBDRN COc1cc([C@@H]2NC(=O)[C@@H]3CSCCN32)c([N+](=O)[O-])cc1O ZINC000270765735 263269892 /nfs/dbraw/zinc/26/98/92/263269892.db2.gz FQEDEMWJSIWRRZ-JOYOIKCWSA-N 0 0 325.346 0.855 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0.287 20 5 ECBDRN CNC(=O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000087003222 263143967 /nfs/dbraw/zinc/14/39/67/263143967.db2.gz KPXDWUCCPFVDRV-UHFFFAOYSA-N 0 0 330.138 0.762 20 5 ECBDRN CCN(CC)C(=O)CN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174813068 263151100 /nfs/dbraw/zinc/15/11/00/263151100.db2.gz ILLYQMYAOMEERR-UHFFFAOYSA-N 0 0 338.412 0.277 20 5 ECBDRN Cc1c(NC(=O)C(=O)NCCNc2ccccc2[N+](=O)[O-])cnn1C ZINC000176552094 263152938 /nfs/dbraw/zinc/15/29/38/263152938.db2.gz OJXOGFFLCLIQIL-UHFFFAOYSA-N 0 0 346.347 0.804 20 5 ECBDRN O=C(C=Cc1cccc([N+](=O)[O-])c1)NCCNC(=O)c1ccn[nH]1 ZINC000183131808 263157678 /nfs/dbraw/zinc/15/76/78/263157678.db2.gz XHDCRCPWGJTDDA-SNAWJCMRSA-N 0 0 329.316 0.877 20 5 ECBDRN C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000188352657 263161693 /nfs/dbraw/zinc/16/16/93/263161693.db2.gz OEZALRXNBROOAR-LLVKDONJSA-N 0 0 341.389 0.630 20 5 ECBDRN CNS(=O)(=O)c1ccc(N[C@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000265530690 263178608 /nfs/dbraw/zinc/17/86/08/263178608.db2.gz BBOYWSQMZAOMOU-JTQLQIEISA-N 0 0 328.350 0.146 20 5 ECBDRN CC(C)c1n[nH]c(C(=O)N2CCS(=O)(=O)C[C@H]2C)c1[N+](=O)[O-] ZINC000269520336 263186871 /nfs/dbraw/zinc/18/68/71/263186871.db2.gz QDHBIYXOYKQUFY-MRVPVSSYSA-N 0 0 330.366 0.700 20 5 ECBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2(CO)COC2)c1C ZINC000269715588 263199136 /nfs/dbraw/zinc/19/91/36/263199136.db2.gz SFAQSNRZVNGPMU-UHFFFAOYSA-N 0 0 330.362 0.499 20 5 ECBDRN COc1ccc(S(=O)(=O)N2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000269745878 263201584 /nfs/dbraw/zinc/20/15/84/263201584.db2.gz WVSYDMQKHBTZAM-SNVBAGLBSA-N 0 0 330.362 0.996 20 5 ECBDRN C[C@H](O)C[C@@H]1CCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269761228 263202603 /nfs/dbraw/zinc/20/26/03/263202603.db2.gz DVEYUGVKYNGQAF-UWVGGRQHSA-N 0 0 329.378 0.982 20 5 ECBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H](O)C2CCOCC2)cc1 ZINC000269775919 263204079 /nfs/dbraw/zinc/20/40/79/263204079.db2.gz NULGQPZJOORQHC-CQSZACIVSA-N 0 0 344.389 0.802 20 5 ECBDRN CNC(=O)CCCN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000269861373 263209000 /nfs/dbraw/zinc/20/90/00/263209000.db2.gz DKFGUFKBBYXNHM-UHFFFAOYSA-N 0 0 336.348 0.826 20 5 ECBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@]1(O)CCSC1 ZINC000269902869 263211713 /nfs/dbraw/zinc/21/17/13/263211713.db2.gz YZJIAAALYILGNJ-GFCCVEGCSA-N 0 0 348.402 0.750 20 5 ECBDRN CN(C[C@H]1CCC[C@H]1O)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269924533 263213062 /nfs/dbraw/zinc/21/30/62/263213062.db2.gz BTJKIGIAXKOFPP-NOZJJQNGSA-N 0 0 329.378 0.839 20 5 ECBDRN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000270124473 263224025 /nfs/dbraw/zinc/22/40/25/263224025.db2.gz NFRODRWTGGTFIE-ZDUSSCGKSA-N 0 0 325.277 0.693 20 5 ECBDRN Cc1cc(NCC(=O)NCCO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270289316 263232467 /nfs/dbraw/zinc/23/24/67/263232467.db2.gz ZIRACVCLMKTGKT-UHFFFAOYSA-N 0 0 331.332 0.881 20 5 ECBDRN CC[C@H](CO)N1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000270367362 263238419 /nfs/dbraw/zinc/23/84/19/263238419.db2.gz CPKXOSNQFNXFQV-LLVKDONJSA-N 0 0 339.396 0.970 20 5 ECBDRN NC(=O)NC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270536041 263250260 /nfs/dbraw/zinc/25/02/60/263250260.db2.gz OZOFEYAZJQMBNE-UHFFFAOYSA-N 0 0 335.364 0.980 20 5 ECBDRN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000270624711 263257647 /nfs/dbraw/zinc/25/76/47/263257647.db2.gz BFZVKGBNYYGUCB-VHSXEESVSA-N 0 0 339.352 0.321 20 5 ECBDRN C[C@@H](O)C(=O)N1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000270755059 263268553 /nfs/dbraw/zinc/26/85/53/263268553.db2.gz BOQHPGLLDNJGKK-MRVPVSSYSA-N 0 0 325.350 0.333 20 5 ECBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000270773574 263270515 /nfs/dbraw/zinc/27/05/15/263270515.db2.gz VEQPFXKMDYSRDS-VHSXEESVSA-N 0 0 345.311 0.244 20 5 ECBDRN Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(Cc3cccc(O)c3)CC2)n1 ZINC000270850927 263279368 /nfs/dbraw/zinc/27/93/68/263279368.db2.gz XYVHHEIDRCMABD-UHFFFAOYSA-N 0 0 345.359 0.992 20 5 ECBDRN COC(=O)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)c1cccc(O)c1 ZINC000270905036 263284311 /nfs/dbraw/zinc/28/43/11/263284311.db2.gz HCZUFPCOTJBXGY-AWEZNQCLSA-N 0 0 348.315 0.836 20 5 ECBDRN CC1(C)C[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000270916805 263285316 /nfs/dbraw/zinc/28/53/16/263285316.db2.gz TVWLAJPRSPPDBR-LBPRGKRZSA-N 0 0 349.343 0.925 20 5 ECBDRN NC(=O)N[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000270940523 263287497 /nfs/dbraw/zinc/28/74/97/263287497.db2.gz JOEPOZDMQHACPY-LURJTMIESA-N 0 0 330.142 0.999 20 5 ECBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1nc[nH]n1 ZINC000271111033 263300146 /nfs/dbraw/zinc/30/01/46/263300146.db2.gz AEIJLPKEPVTRRR-SSDOTTSWSA-N 0 0 327.322 0.761 20 5 ECBDRN COC(=O)C1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271228749 263308369 /nfs/dbraw/zinc/30/83/69/263308369.db2.gz IAYPAZCUKIHIGE-UHFFFAOYSA-N 0 0 344.345 0.283 20 5 ECBDRN Cc1n[nH]c(C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000271616575 263319062 /nfs/dbraw/zinc/31/90/62/263319062.db2.gz VXIRNXOIQHWVGX-VXGBXAGGSA-N 0 0 334.332 0.841 20 5 ECBDRN NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000271758771 263328743 /nfs/dbraw/zinc/32/87/43/263328743.db2.gz OPDNIIUFVHAIHS-VIFPVBQESA-N 0 0 331.375 0.186 20 5 ECBDRN COCC[C@](C)(O)CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000272415548 263347997 /nfs/dbraw/zinc/34/79/97/263347997.db2.gz CXSQEFQBOCPLCN-AWEZNQCLSA-N 0 0 346.405 0.844 20 5 ECBDRN C[C@@H](NS(C)(=O)=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272426365 263348247 /nfs/dbraw/zinc/34/82/47/263348247.db2.gz GDUOWXIQOSCSIS-MRVPVSSYSA-N 0 0 349.796 0.845 20 5 ECBDRN Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)n1 ZINC000272546325 263352017 /nfs/dbraw/zinc/35/20/17/263352017.db2.gz SNWMDBYRRSSVPI-JTQLQIEISA-N 0 0 329.316 0.633 20 5 ECBDRN O=C(NCCN1CCNC(=O)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000272646818 263359300 /nfs/dbraw/zinc/35/93/00/263359300.db2.gz DRBXXVYXXPYGIJ-UHFFFAOYSA-N 0 0 332.316 0.503 20 5 ECBDRN COC[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000272652449 263360389 /nfs/dbraw/zinc/36/03/89/263360389.db2.gz FSDKDPAUCIEUGE-SNVBAGLBSA-N 0 0 334.350 0.543 20 5 ECBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCNC(=O)C2)c1 ZINC000272765969 263371161 /nfs/dbraw/zinc/37/11/61/263371161.db2.gz QDKZDEMHJLAVBX-UHFFFAOYSA-N 0 0 338.389 0.478 20 5 ECBDRN CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000272836409 263378470 /nfs/dbraw/zinc/37/84/70/263378470.db2.gz XLUHLCYJLQQBSN-LLVKDONJSA-N 0 0 343.361 0.039 20 5 ECBDRN Cc1cc(C(=O)NCC(=O)N2CCc3n[nH]cc3C2)ccc1[N+](=O)[O-] ZINC000272846888 263380709 /nfs/dbraw/zinc/38/07/09/263380709.db2.gz PNZISHXIHYHPKQ-UHFFFAOYSA-N 0 0 343.343 0.941 20 5 ECBDRN CN1C[C@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1=O ZINC000273019525 263387735 /nfs/dbraw/zinc/38/77/35/263387735.db2.gz SONBQLZDOVTSOJ-NOZJJQNGSA-N 0 0 332.316 0.435 20 5 ECBDRN COC[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000273036201 263389314 /nfs/dbraw/zinc/38/93/14/263389314.db2.gz YTHBCETWOVDICO-SECBINFHSA-N 0 0 345.739 0.964 20 5 ECBDRN NC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273053543 263390623 /nfs/dbraw/zinc/39/06/23/263390623.db2.gz VYQZIKOTYWUGJA-UONOGXRCSA-N 0 0 346.343 0.954 20 5 ECBDRN CC(=O)NCCCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273058318 263391533 /nfs/dbraw/zinc/39/15/33/263391533.db2.gz WWFABWLTRCJZFU-CQSZACIVSA-N 0 0 334.332 0.730 20 5 ECBDRN CC[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273079646 263393035 /nfs/dbraw/zinc/39/30/35/263393035.db2.gz HCWJROQJEMBIBA-OCCSQVGLSA-N 0 0 346.343 0.825 20 5 ECBDRN CC[C@@H]1CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1O ZINC000273125470 263396923 /nfs/dbraw/zinc/39/69/23/263396923.db2.gz YUSFASGCQJYBFJ-BXUZGUMPSA-N 0 0 335.360 0.862 20 5 ECBDRN COC(=O)[C@H](CC(C)C)NC(=O)CNc1c([N+](=O)[O-])ncn1C ZINC000273709118 263426117 /nfs/dbraw/zinc/42/61/17/263426117.db2.gz FAUBXQOICXOGRB-VIFPVBQESA-N 0 0 327.341 0.444 20 5 ECBDRN C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273716056 263426186 /nfs/dbraw/zinc/42/61/86/263426186.db2.gz QXLYMLXGGJYTRS-JTQLQIEISA-N 0 0 348.402 0.544 20 5 ECBDRN C[C@H](O)CN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000275128463 263554146 /nfs/dbraw/zinc/55/41/46/263554146.db2.gz JVVOIPGQLMUNMM-NSHDSACASA-N 0 0 341.339 0.638 20 5 ECBDRN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000275456351 263601832 /nfs/dbraw/zinc/60/18/32/263601832.db2.gz WKUOKSMHPYWCDF-NHYWBVRUSA-N 0 0 348.363 0.788 20 5 ECBDRN COCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276079534 263667410 /nfs/dbraw/zinc/66/74/10/263667410.db2.gz GAXXIQMASVGJBR-UHFFFAOYSA-N 0 0 332.334 0.696 20 5 ECBDRN C[C@@H](NS(C)(=O)=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276381453 263706832 /nfs/dbraw/zinc/70/68/32/263706832.db2.gz SPDFEHWAIJEURM-SECBINFHSA-N 0 0 343.361 0.122 20 5 ECBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000277385103 263775961 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/nfs/dbraw/zinc/32/25/83/748322583.db2.gz WWVOIVADNDBXHU-UORFTKCHSA-N 0 0 336.323 0.511 20 5 ECBDRN O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(Cl)[nH]1 ZINC000979744352 748330696 /nfs/dbraw/zinc/33/06/96/748330696.db2.gz HTURJLCUDDMGGT-TURQNECASA-N 0 0 340.767 0.958 20 5 ECBDRN CN(CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(=O)c1cnon1 ZINC000988532507 752260792 /nfs/dbraw/zinc/26/07/92/752260792.db2.gz NLYUFZCAJOVLFU-ZYHUDNBSSA-N 0 0 337.336 0.045 20 5 ECBDRN Cc1ccoc1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000979746310 748335085 /nfs/dbraw/zinc/33/50/85/748335085.db2.gz OGFRHIUVPXSDKM-FDYHWXHSSA-N 0 0 335.360 0.807 20 5 ECBDRN COc1cccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC000979752080 748363296 /nfs/dbraw/zinc/36/32/96/748363296.db2.gz CLMYEQNQLFPGGA-PRULPYPASA-N 0 0 348.359 0.380 20 5 ECBDRN Cc1c[nH]c(C(=O)N2CCC(CN(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000988538014 752270506 /nfs/dbraw/zinc/27/05/06/752270506.db2.gz BTLHJMYHHNTAOF-CHWSQXEVSA-N 0 0 349.391 0.694 20 5 ECBDRN Cc1ccnc(N[C@H]2C[C@@H](NC(=O)CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC001059600602 748745295 /nfs/dbraw/zinc/74/52/95/748745295.db2.gz CXMLGLLPXFNQAB-BETUJISGSA-N 0 0 349.391 0.690 20 5 ECBDRN Cn1nccc1CC(=O)N[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC001059617368 748835024 /nfs/dbraw/zinc/83/50/24/748835024.db2.gz MCCHNTZLYRVBAQ-DTORHVGOSA-N 0 0 346.351 0.002 20 5 ECBDRN Cc1nc(C(=O)N[C@H]2C[C@@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)co1 ZINC001059620268 748851416 /nfs/dbraw/zinc/85/14/16/748851416.db2.gz QKVZSOVNDCWUKY-OCAPTIKFSA-N 0 0 333.308 0.636 20 5 ECBDRN CCn1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1C ZINC001003775366 748881779 /nfs/dbraw/zinc/88/17/79/748881779.db2.gz UAUFOZKYNDCKBC-ZIAGYGMSSA-N 0 0 334.376 0.670 20 5 ECBDRN CCn1ncc(C(=O)N[C@H]2C[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC001059628679 748916442 /nfs/dbraw/zinc/91/64/42/748916442.db2.gz KCFLBYHINFGHON-AOOOYVTPSA-N 0 0 331.336 0.974 20 5 ECBDRN Cc1cc(C(=O)NC2CC3(C2)CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)no1 ZINC001013957002 761969676 /nfs/dbraw/zinc/96/96/76/761969676.db2.gz DPSZRIDFQVUNQB-WZOFNLEDSA-N 0 0 348.359 0.805 20 5 ECBDRN Cc1ccc(N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)c([N+](=O)[O-])c1 ZINC001059725992 750025858 /nfs/dbraw/zinc/02/58/58/750025858.db2.gz HJMCERVSAOKJLL-PHIMTYICSA-N 0 0 331.336 0.649 20 5 ECBDRN CN(Cc1cnns1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964653 750117305 /nfs/dbraw/zinc/11/73/05/750117305.db2.gz UADJTBJQMLPVGP-CHWSQXEVSA-N 0 0 339.421 0.874 20 5 ECBDRN CN(CCN(C)c1ccc([N+](=O)[O-])cn1)C(=O)Cc1cnn(C)c1 ZINC001105365784 752456069 /nfs/dbraw/zinc/45/60/69/752456069.db2.gz KKPWNMNUKXVIBB-UHFFFAOYSA-N 0 0 332.364 0.861 20 5 ECBDRN Cc1ccnc(N(C)CCN(C)C(=O)c2c[nH]c(=O)cn2)c1[N+](=O)[O-] ZINC001105532357 753801729 /nfs/dbraw/zinc/80/17/29/753801729.db2.gz WUYPYBRZSHOOKD-UHFFFAOYSA-N 0 0 346.347 0.590 20 5 ECBDRN COc1nccc(C(=O)N(C)CCN(C)c2ncccc2[N+](=O)[O-])n1 ZINC001105616637 755103122 /nfs/dbraw/zinc/10/31/22/755103122.db2.gz BPSIXJJRPNUEOC-UHFFFAOYSA-N 0 0 346.347 0.997 20 5 ECBDRN Cc1nc(C(=O)N2CC3(C2)CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)co1 ZINC001010630051 756325758 /nfs/dbraw/zinc/32/57/58/756325758.db2.gz XYYDQOXZQNJURC-DGCLKSJQSA-N 0 0 348.359 0.713 20 5 ECBDRN Cc1ccc(-c2noc(CNCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1 ZINC001126939238 756806717 /nfs/dbraw/zinc/80/67/17/756806717.db2.gz TUYCZICKIHFTGD-CHWSQXEVSA-N 0 0 345.359 0.916 20 5 ECBDRN Cn1cc(CN2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C(F)F)n1 ZINC001030292716 762500455 /nfs/dbraw/zinc/50/04/55/762500455.db2.gz UCDGNYSDYBOVBY-NXEZZACHSA-N 0 0 329.307 0.323 20 5 ECBDRN O=C(NCCNCc1nc(-c2ccsc2)no1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126943074 756909144 /nfs/dbraw/zinc/90/91/44/756909144.db2.gz JYUJPSOEFSQGPT-NXEZZACHSA-N 0 0 337.361 0.669 20 5 ECBDRN O=C(NC1CN(Cc2nc3ccc(F)cc3o2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030293446 762505342 /nfs/dbraw/zinc/50/53/42/762505342.db2.gz KJQWYSIUDBZREH-ZYHUDNBSSA-N 0 0 334.307 0.933 20 5 ECBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CN(CC(F)(F)C(F)F)C[C@H]2C1 ZINC001048812148 757073663 /nfs/dbraw/zinc/07/36/63/757073663.db2.gz CKUXNYWRYGRWEX-UTINFBMNSA-N 0 0 339.289 0.942 20 5 ECBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CN(Cc3nnc(C4CC4)[nH]3)C[C@H]2C1 ZINC001048814265 757081668 /nfs/dbraw/zinc/08/16/68/757081668.db2.gz BUTWYJPVSWNCNO-YVECIDJPSA-N 0 0 346.391 0.238 20 5 ECBDRN CCn1ncc(C(=O)NC/C=C/CNc2ccc([N+](=O)[O-])cn2)n1 ZINC001107151483 757108612 /nfs/dbraw/zinc/10/86/12/757108612.db2.gz IIMIGYWYTGPRIT-ONEGZZNKSA-N 0 0 331.336 0.999 20 5 ECBDRN CC(=O)N1CC(C(=O)NC/C=C/CNc2ccc([N+](=O)[O-])cn2)C1 ZINC001107169138 757204462 /nfs/dbraw/zinc/20/44/62/757204462.db2.gz XDQZTVMJPDXWIV-NSCUHMNNSA-N 0 0 333.348 0.552 20 5 ECBDRN NC(=O)NCCC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])cc1F ZINC001107190450 757437681 /nfs/dbraw/zinc/43/76/81/757437681.db2.gz XKTQZZLXEUVOLX-OWOJBTEDSA-N 0 0 340.315 0.272 20 5 ECBDRN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CN(C(=O)c3cnco3)C[C@@H]2C1 ZINC001048968903 757545158 /nfs/dbraw/zinc/54/51/58/757545158.db2.gz SQPDOBCYEVNODA-PHIMTYICSA-N 0 0 346.347 0.520 20 5 ECBDRN CC(C)c1noc(CNC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000996428396 757653416 /nfs/dbraw/zinc/65/34/16/757653416.db2.gz AZIHJZDKGNZTAD-VXGBXAGGSA-N 0 0 337.380 0.939 20 5 ECBDRN CNC(=O)C1(C(=O)NC/C=C\CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001107252444 758046627 /nfs/dbraw/zinc/04/66/27/758046627.db2.gz KZPVWKSWFPAYCL-IHWYPQMZSA-N 0 0 349.347 0.306 20 5 ECBDRN O=C(CCN1CCOCC1)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107253457 758051380 /nfs/dbraw/zinc/05/13/80/758051380.db2.gz FFYSGMZERVNWGF-UPHRSURJSA-N 0 0 349.391 0.796 20 5 ECBDRN CC(C)(C)c1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC001022061773 758221968 /nfs/dbraw/zinc/22/19/68/758221968.db2.gz UYUWFYGRRFPYGD-LMLFDSFASA-N 0 0 337.380 0.769 20 5 ECBDRN O=C(Cn1ncnn1)NC/C=C/CNc1cccc(F)c1[N+](=O)[O-] ZINC001107355139 758353495 /nfs/dbraw/zinc/35/34/95/758353495.db2.gz SIBQKTKGEZSUHS-OWOJBTEDSA-N 0 0 335.299 0.505 20 5 ECBDRN Cn1nnc(C(=O)NC/C=C/CNc2ncc([N+](=O)[O-])cc2F)n1 ZINC001107450304 758581600 /nfs/dbraw/zinc/58/16/00/758581600.db2.gz DIWOBCTYUKLXHH-NSCUHMNNSA-N 0 0 336.287 0.051 20 5 ECBDRN O=C(NC/C=C/CNc1ccc([N+](=O)[O-])cn1)c1c[nH]c(=O)cn1 ZINC001107490816 758760379 /nfs/dbraw/zinc/76/03/79/758760379.db2.gz VAOIPSYZAYFVEU-OWOJBTEDSA-N 0 0 330.304 0.471 20 5 ECBDRN Cc1nccc(C(=O)NCC2CN(Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC001032194161 759484888 /nfs/dbraw/zinc/48/48/88/759484888.db2.gz MJYHUNNEYNJEAB-UHFFFAOYSA-N 0 0 345.363 0.289 20 5 ECBDRN COC(=O)NCC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])cc1C ZINC001107057579 759593586 /nfs/dbraw/zinc/59/35/86/759593586.db2.gz FYMGSYFEZUZQCW-ONEGZZNKSA-N 0 0 337.336 0.739 20 5 ECBDRN Cc1nn(C)cc1C(=O)NC/C=C\CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107085239 759866640 /nfs/dbraw/zinc/86/66/40/759866640.db2.gz WUBWVKNDGNYNQN-ARJAWSKDSA-N 0 0 346.351 0.407 20 5 ECBDRN CCc1ccc(OCC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC000991286763 760131991 /nfs/dbraw/zinc/13/19/91/760131991.db2.gz OFEBVTHUMBQESP-HUUCEWRRSA-N 0 0 347.371 0.620 20 5 ECBDRN O=C(NC1CN(C(=O)c2cccc3ncccc32)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000991289231 760146789 /nfs/dbraw/zinc/14/67/89/760146789.db2.gz XISKWXJKXVYBKV-UKRRQHHQSA-N 0 0 340.339 0.841 20 5 ECBDRN Cc1ccc(F)c(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1F ZINC000991294178 760170489 /nfs/dbraw/zinc/17/04/89/760170489.db2.gz UDOKKNFAXXGEHU-MWLCHTKSSA-N 0 0 339.298 0.879 20 5 ECBDRN Cc1cc(C(=O)N2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cnn1 ZINC001017440301 767989868 /nfs/dbraw/zinc/98/98/68/767989868.db2.gz FNFWPWPVRDQCLY-ZIAGYGMSSA-N 0 0 345.359 0.339 20 5 ECBDRN Cn1ncc(C(=O)NC/C=C\CNc2cc[nH]c(=O)c2[N+](=O)[O-])c1N ZINC001107138843 760967411 /nfs/dbraw/zinc/96/74/11/760967411.db2.gz BARCQLGHLBKMPX-IHWYPQMZSA-N 0 0 347.335 0.409 20 5 ECBDRN Cc1cncn1CC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001017446417 767996834 /nfs/dbraw/zinc/99/68/34/767996834.db2.gz PBNNKQJZSXMXQD-ZIAGYGMSSA-N 0 0 347.375 0.132 20 5 ECBDRN NC(=O)C1(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC1 ZINC001127113797 761444846 /nfs/dbraw/zinc/44/48/46/761444846.db2.gz GYLFTTSBJZBJKH-UHFFFAOYSA-N 0 0 333.279 0.667 20 5 ECBDRN O=C(NC1CN(Cc2csc([N+](=O)[O-])c2)C1)c1ccc(=O)[nH]n1 ZINC001030072552 761612072 /nfs/dbraw/zinc/61/20/72/761612072.db2.gz FWEWEPOQQUXXND-UHFFFAOYSA-N 0 0 335.345 0.766 20 5 ECBDRN COCCC(=O)N(C)CCOCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001127167046 762859657 /nfs/dbraw/zinc/85/96/57/762859657.db2.gz SODZLLGKRKAECF-UHFFFAOYSA-N 0 0 342.352 0.619 20 5 ECBDRN CSCC(=O)N(C)CCOCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001127170308 762983263 /nfs/dbraw/zinc/98/32/63/762983263.db2.gz LISFPINZMMBWCH-UHFFFAOYSA-N 0 0 344.393 0.945 20 5 ECBDRN Cn1ccc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1=O ZINC001017545886 768101070 /nfs/dbraw/zinc/10/10/70/768101070.db2.gz MMWPGHRTFHZNPS-LXTVHRRPSA-N 0 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ECBDRN CCCN(CC(=O)NC)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000268296144 437394111 /nfs/dbraw/zinc/39/41/11/437394111.db2.gz WKMLGLZVLIQHOD-UHFFFAOYSA-N 0 0 345.377 0.750 20 5 ECBDRN COc1cc(N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)ncn1 ZINC000184066008 437396357 /nfs/dbraw/zinc/39/63/57/437396357.db2.gz BOJABKKAGUKBBI-UHFFFAOYSA-N 0 0 333.352 0.412 20 5 ECBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCNC(=O)[C@H]1CC ZINC000290212813 437472157 /nfs/dbraw/zinc/47/21/57/437472157.db2.gz IXZUZIAGVUOYIK-CYBMUJFWSA-N 0 0 348.359 0.833 20 5 ECBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000186646898 437479340 /nfs/dbraw/zinc/47/93/40/437479340.db2.gz KURCRTGESRQNDZ-HNNXBMFYSA-N 0 0 346.387 0.560 20 5 ECBDRN CC[C@H](CNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000290388860 437481727 /nfs/dbraw/zinc/48/17/27/437481727.db2.gz KMROCJFRSBEWSE-LLVKDONJSA-N 0 0 339.348 0.874 20 5 ECBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000186701836 437482995 /nfs/dbraw/zinc/48/29/95/437482995.db2.gz RYYLBWVYNBWOHD-CQSZACIVSA-N 0 0 332.360 0.631 20 5 ECBDRN COCCOc1cccc(CNC(=O)Cn2ncc([N+](=O)[O-])c2N)c1 ZINC000268594897 437433927 /nfs/dbraw/zinc/43/39/27/437433927.db2.gz QPBYZDYQXIDWJD-UHFFFAOYSA-N 0 0 349.347 0.715 20 5 ECBDRN CCn1cc(S(=O)(=O)N[C@@H](CCO)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000339039507 437435447 /nfs/dbraw/zinc/43/54/47/437435447.db2.gz JRRRRORUBGWYHC-JTQLQIEISA-N 0 0 334.398 0.887 20 5 ECBDRN CCn1cc(S(=O)(=O)NC[C@H]2CCC[C@H](O)C2)c([N+](=O)[O-])n1 ZINC000339048320 437437161 /nfs/dbraw/zinc/43/71/61/437437161.db2.gz LXAHUTHKLPGJIK-UWVGGRQHSA-N 0 0 332.382 0.641 20 5 ECBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000185599032 437446099 /nfs/dbraw/zinc/44/60/99/437446099.db2.gz MCTCXQFPMNUCLQ-SNVBAGLBSA-N 0 0 328.332 0.976 20 5 ECBDRN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000269067278 437450419 /nfs/dbraw/zinc/45/04/19/437450419.db2.gz LUIQTVKXXSAVPF-LBPRGKRZSA-N 0 0 348.359 0.921 20 5 ECBDRN COc1ccccc1C(=O)NCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269077028 437451207 /nfs/dbraw/zinc/45/12/07/437451207.db2.gz GZHZVHCKKNTSQD-UHFFFAOYSA-N 0 0 347.331 0.346 20 5 ECBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)c1 ZINC000185812996 437451187 /nfs/dbraw/zinc/45/11/87/437451187.db2.gz VIALXHVYCYTJFY-ZDUSSCGKSA-N 0 0 341.389 0.736 20 5 ECBDRN NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185906298 437456264 /nfs/dbraw/zinc/45/62/64/437456264.db2.gz HHTKRNOLRVMCSG-NEPJUHHUSA-N 0 0 327.362 0.917 20 5 ECBDRN COCCNC(=O)[C@H](CC(C)C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000339358613 437461349 /nfs/dbraw/zinc/46/13/49/437461349.db2.gz GRRFAEMIULYNDR-VIFPVBQESA-N 0 0 326.357 0.556 20 5 ECBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCC(=O)NC ZINC000290182153 437469216 /nfs/dbraw/zinc/46/92/16/437469216.db2.gz GFGFORNQKTZEJP-UHFFFAOYSA-N 0 0 336.348 0.738 20 5 ECBDRN C[C@@H]1C[N@@H+](CCCNc2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000290483969 437492679 /nfs/dbraw/zinc/49/26/79/437492679.db2.gz IEKYQTYFCBPWND-PHIMTYICSA-N 0 0 337.380 1.000 20 5 ECBDRN CCCNC(=O)[C@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290501878 437495330 /nfs/dbraw/zinc/49/53/30/437495330.db2.gz DPCXZNAPLGTKNW-JTQLQIEISA-N 0 0 335.364 0.831 20 5 ECBDRN CCS(=O)(=O)N(C)CC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000360009345 437502673 /nfs/dbraw/zinc/50/26/73/437502673.db2.gz CVLIBKBOKYYXBV-UHFFFAOYSA-N 0 0 331.350 0.823 20 5 ECBDRN CC(C)(C(=O)N1CCN(CC(F)F)CC1)n1cc([N+](=O)[O-])cn1 ZINC000330434522 437509849 /nfs/dbraw/zinc/50/98/49/437509849.db2.gz LNUIWBMXXKLELB-UHFFFAOYSA-N 0 0 331.323 0.936 20 5 ECBDRN COc1ccc(C(=O)NCC(=O)NCCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000290675540 437514525 /nfs/dbraw/zinc/51/45/25/437514525.db2.gz ZATXCRDPNKOISE-UHFFFAOYSA-N 0 0 347.331 0.415 20 5 ECBDRN CCn1ncnc1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000360087665 437517248 /nfs/dbraw/zinc/51/72/48/437517248.db2.gz LQRXKZXJXMONCQ-UHFFFAOYSA-N 0 0 326.338 0.466 20 5 ECBDRN CCCNC(=O)CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000354072135 437520743 /nfs/dbraw/zinc/52/07/43/437520743.db2.gz NUXGXKPKRCNSPW-UHFFFAOYSA-N 0 0 330.366 0.570 20 5 ECBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCCCN2CCNC(=O)C2)c1 ZINC000360117300 437526728 /nfs/dbraw/zinc/52/67/28/437526728.db2.gz LFRNTAVWZUTYGV-UHFFFAOYSA-N 0 0 336.348 0.615 20 5 ECBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@H](CNC(C)=O)C2)c1 ZINC000360136480 437533046 /nfs/dbraw/zinc/53/30/46/437533046.db2.gz VHTJZCYMIRIHPX-GFCCVEGCSA-N 0 0 337.332 0.723 20 5 ECBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1C(N)=O ZINC000354108876 437533271 /nfs/dbraw/zinc/53/32/71/437533271.db2.gz XSGZCFWNZLUEJX-JOYOIKCWSA-N 0 0 334.332 0.189 20 5 ECBDRN Cc1c(CC(=O)NCCCn2cc(CO)nn2)cccc1[N+](=O)[O-] ZINC000290455268 437488945 /nfs/dbraw/zinc/48/89/45/437488945.db2.gz CBKVKSZCOSLAND-UHFFFAOYSA-N 0 0 333.348 0.736 20 5 ECBDRN NC(=O)CN1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000359939459 437489576 /nfs/dbraw/zinc/48/95/76/437489576.db2.gz YYTLWGGTNKPOCS-UHFFFAOYSA-N 0 0 335.364 0.026 20 5 ECBDRN CCn1cc(S(=O)(=O)N2CCC[C@](C)(O)CC2)c([N+](=O)[O-])n1 ZINC000359936417 437489775 /nfs/dbraw/zinc/48/97/75/437489775.db2.gz SBIAOXLGNJXSQD-LBPRGKRZSA-N 0 0 332.382 0.737 20 5 ECBDRN NC(=O)c1ccnc(N[C@H](CO)C[C@@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000290988816 437550729 /nfs/dbraw/zinc/55/07/29/437550729.db2.gz SUSZGBBWFHXCQN-WCQYABFASA-N 0 0 346.343 0.985 20 5 ECBDRN COCC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(N)=O ZINC000343301714 437552107 /nfs/dbraw/zinc/55/21/07/437552107.db2.gz IBXNJRJMEJIWPE-SECBINFHSA-N 0 0 326.309 0.615 20 5 ECBDRN Cc1nccnc1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343307632 437553376 /nfs/dbraw/zinc/55/33/76/437553376.db2.gz RYNJRIWXGALXOI-UHFFFAOYSA-N 0 0 329.316 0.991 20 5 ECBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCCCn2cc(CO)nn2)n1 ZINC000291124356 437562618 /nfs/dbraw/zinc/56/26/18/437562618.db2.gz MNQYRGFLJQCHCF-UHFFFAOYSA-N 0 0 336.308 0.362 20 5 ECBDRN C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)S1(=O)=O ZINC000291156349 437563983 /nfs/dbraw/zinc/56/39/83/437563983.db2.gz GDVMHTHGVWERNJ-UWVGGRQHSA-N 0 0 330.366 0.215 20 5 ECBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCOC[C@H]1C ZINC000330606666 437566502 /nfs/dbraw/zinc/56/65/02/437566502.db2.gz OEVSNIDKHTURMS-GFCCVEGCSA-N 0 0 343.405 0.902 20 5 ECBDRN CO[C@H]1COC[C@@H]1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000291251123 437572739 /nfs/dbraw/zinc/57/27/39/437572739.db2.gz QGQMKPVIHGSNSG-CABZTGNLSA-N 0 0 337.288 0.033 20 5 ECBDRN CCO[C@H]1C[C@@](CO)(NC(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000188875215 437575677 /nfs/dbraw/zinc/57/56/77/437575677.db2.gz YLRQSXTWHBFFNH-WFASDCNBSA-N 0 0 340.380 0.864 20 5 ECBDRN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C[C@H]1O ZINC000330665168 437583905 /nfs/dbraw/zinc/58/39/05/437583905.db2.gz VLFYWLYATMLJBK-TVQRCGJNSA-N 0 0 342.373 0.841 20 5 ECBDRN CN(Cc1ccc(S(C)(=O)=O)cc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000354324709 437586269 /nfs/dbraw/zinc/58/62/69/437586269.db2.gz ANNZLIQMBIMIKB-UHFFFAOYSA-N 0 0 337.361 1.007 20 5 ECBDRN C[C@@H](O)CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)CO ZINC000189275425 437589219 /nfs/dbraw/zinc/58/92/19/437589219.db2.gz HIEYWRFOPSRBMD-NWDGAFQWSA-N 0 0 348.359 0.984 20 5 ECBDRN C[C@@H](O)CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000291433653 437590052 /nfs/dbraw/zinc/59/00/52/437590052.db2.gz YFYMFKRAUBKSSJ-SSDOTTSWSA-N 0 0 347.274 0.974 20 5 ECBDRN CCc1nn(C)c(N2CCN(Cc3cnn(C)c3)CC2)c1[N+](=O)[O-] ZINC000354344991 437590181 /nfs/dbraw/zinc/59/01/81/437590181.db2.gz XNHBURVDSTXKMK-UHFFFAOYSA-N 0 0 333.396 0.946 20 5 ECBDRN C[C@]1(c2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2)NC(=O)NC1=O ZINC000354487561 437626511 /nfs/dbraw/zinc/62/65/11/437626511.db2.gz HQGCZAPROOJBNT-OAHLLOKOSA-N 0 0 342.315 1.052 20 5 ECBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(=O)N(CC)C1 ZINC000190648881 437634296 /nfs/dbraw/zinc/63/42/96/437634296.db2.gz JQHSOWKBDLKHSI-UHFFFAOYSA-N 0 0 327.362 0.968 20 5 ECBDRN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000291855187 437634685 /nfs/dbraw/zinc/63/46/85/437634685.db2.gz MQPWIUXGPAXGBF-SNVBAGLBSA-N 0 0 331.398 0.590 20 5 ECBDRN C[C@H](O)CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)CO ZINC000190820479 437637824 /nfs/dbraw/zinc/63/78/24/437637824.db2.gz JXKDLUGQYMYYOG-RYUDHWBXSA-N 0 0 337.376 0.548 20 5 ECBDRN CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000360742679 437641368 /nfs/dbraw/zinc/64/13/68/437641368.db2.gz AAVCNTLZWZBTDW-KOLCDFICSA-N 0 0 344.393 0.756 20 5 ECBDRN COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000360746522 437643417 /nfs/dbraw/zinc/64/34/17/437643417.db2.gz ICSFFLYVLWSSMI-OAHLLOKOSA-N 0 0 337.332 0.819 20 5 ECBDRN CNC(=O)[C@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000291953962 437645310 /nfs/dbraw/zinc/64/53/10/437645310.db2.gz OMDTZUFTFLRELS-ZETCQYMHSA-N 0 0 335.769 0.969 20 5 ECBDRN Cc1cnc(N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC000343784880 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O=C(OCCn1cnc([N+](=O)[O-])n1)C1CCN(CC(F)F)CC1 ZINC000805891895 586944980 /nfs/dbraw/zinc/94/49/80/586944980.db2.gz HITQMDGGIPGRQR-UHFFFAOYSA-N 0 0 333.295 0.707 20 5 ECBDRN CNc1c(C(=O)OCCn2cc(C(N)=O)nn2)cccc1[N+](=O)[O-] ZINC000805942079 586946595 /nfs/dbraw/zinc/94/65/95/586946595.db2.gz SPPCPVLKDIEVKZ-UHFFFAOYSA-N 0 0 334.292 0.184 20 5 ECBDRN NC(=O)c1cn(CCOC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)nn1 ZINC000805943480 586947025 /nfs/dbraw/zinc/94/70/25/586947025.db2.gz ZMZKYMUNIAHTFO-UHFFFAOYSA-N 0 0 345.271 0.888 20 5 ECBDRN CCc1ccc(C(=O)OCCn2cc(C(N)=O)nn2)cc1[N+](=O)[O-] ZINC000805944278 586947073 /nfs/dbraw/zinc/94/70/73/586947073.db2.gz IESLXEQNBAOTMK-UHFFFAOYSA-N 0 0 333.304 0.705 20 5 ECBDRN CCC[C@H](O)[C@@H](CO)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000839816109 586952377 /nfs/dbraw/zinc/95/23/77/586952377.db2.gz GDWARCXFQKMOGC-YPMHNXCESA-N 0 0 330.312 0.751 20 5 ECBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)C1CC(O)C1 ZINC000800622988 586970179 /nfs/dbraw/zinc/97/01/79/586970179.db2.gz XRMUQEDFMGAHIF-UHFFFAOYSA-N 0 0 325.296 0.963 20 5 ECBDRN COC[C@@H](CO)NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000800634269 586970708 /nfs/dbraw/zinc/97/07/08/586970708.db2.gz GFYZDOFHPVQBSZ-MRVPVSSYSA-N 0 0 329.284 0.104 20 5 ECBDRN Cc1ccc(C2=NO[C@@H](CNC(=O)Cn3cnc([N+](=O)[O-])n3)C2)cc1 ZINC000800676802 586971954 /nfs/dbraw/zinc/97/19/54/586971954.db2.gz PIGFYTVBIKYYNI-GFCCVEGCSA-N 0 0 344.331 0.804 20 5 ECBDRN CON(CC1CCOCC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000800982174 586978630 /nfs/dbraw/zinc/97/86/30/586978630.db2.gz OPFDIRGDVWHBDT-UHFFFAOYSA-N 0 0 331.350 0.969 20 5 ECBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000843785600 589079246 /nfs/dbraw/zinc/07/92/46/589079246.db2.gz WGKQSJNZEODEMH-UHFFFAOYSA-N 0 0 346.340 0.004 20 5 ECBDRN CC(C)(CO)N1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801932358 587006293 /nfs/dbraw/zinc/00/62/93/587006293.db2.gz LCVVSBRFAGDVLO-UHFFFAOYSA-N 0 0 340.355 0.845 20 5 ECBDRN CCN1CC[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1=O ZINC000802365393 587017490 /nfs/dbraw/zinc/01/74/90/587017490.db2.gz LLKSSDFUPHRUMM-MRVPVSSYSA-N 0 0 335.345 0.950 20 5 ECBDRN O=C(NCc1cnc(N2CCOCC2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000803255159 587056597 /nfs/dbraw/zinc/05/65/97/587056597.db2.gz ICNOGGCHIOLBEQ-UHFFFAOYSA-N 0 0 338.349 0.541 20 5 ECBDRN CN(CC(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)S(C)(=O)=O ZINC000803276551 587057306 /nfs/dbraw/zinc/05/73/06/587057306.db2.gz RPFNZXNYUOOXQD-UHFFFAOYSA-N 0 0 338.288 0.808 20 5 ECBDRN CN(C[C@@H](O)CN1CCOCC1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804537960 587086960 /nfs/dbraw/zinc/08/69/60/587086960.db2.gz IMNICLBUZDZKPK-LLVKDONJSA-N 0 0 340.336 0.632 20 5 ECBDRN O=Cc1ccc(OCC(=O)OCCN2CCNC2=O)c([N+](=O)[O-])c1 ZINC000808516142 587155600 /nfs/dbraw/zinc/15/56/00/587155600.db2.gz BCEFKSPKZSNQCP-UHFFFAOYSA-N 0 0 337.288 0.355 20 5 ECBDRN C[C@H](OC(=O)[C@H](O)c1cnn(C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000809556895 587180037 /nfs/dbraw/zinc/18/00/37/587180037.db2.gz UTFGVZQJLCGQBH-TVQRCGJNSA-N 0 0 348.315 0.932 20 5 ECBDRN O=C(Cn1cnc([N+](=O)[O-])n1)O[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000840213140 587206061 /nfs/dbraw/zinc/20/60/61/587206061.db2.gz BBAIWOPPFGCADB-LLVKDONJSA-N 0 0 349.278 0.674 20 5 ECBDRN O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000811237870 587215599 /nfs/dbraw/zinc/21/55/99/587215599.db2.gz XQUGFLISNPKJNH-MRXNPFEDSA-N 0 0 344.327 0.792 20 5 ECBDRN CCOc1ccc(NC(=O)COC(=O)c2ncn(C)n2)c([N+](=O)[O-])c1 ZINC000811358499 587218201 /nfs/dbraw/zinc/21/82/01/587218201.db2.gz SBUWTTDBGQIDNV-UHFFFAOYSA-N 0 0 349.303 0.918 20 5 ECBDRN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000812288553 587234022 /nfs/dbraw/zinc/23/40/22/587234022.db2.gz ZFRWUUHCDRLVEL-UHFFFAOYSA-N 0 0 339.352 0.869 20 5 ECBDRN CON(C)S(=O)(=O)c1ccc(C(=O)OC[C@H](C)[N+](=O)[O-])cc1 ZINC000813103476 587248112 /nfs/dbraw/zinc/24/81/12/587248112.db2.gz BQGWXTKHVMBKKV-VIFPVBQESA-N 0 0 332.334 0.691 20 5 ECBDRN C[C@@H](COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813111779 587248422 /nfs/dbraw/zinc/24/84/22/587248422.db2.gz XHNSHMPDOKVHAD-VIFPVBQESA-N 0 0 340.292 0.602 20 5 ECBDRN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OC[C@@H](C)[N+](=O)[O-])cc1 ZINC000813112759 587248490 /nfs/dbraw/zinc/24/84/90/587248490.db2.gz KMRQZXJALDGDRM-MNOVXSKESA-N 0 0 330.362 0.870 20 5 ECBDRN CCS(=O)(=O)N[C@H](CCSC)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813112673 587248521 /nfs/dbraw/zinc/24/85/21/587248521.db2.gz SMYDJSAWKKPCRB-RKDXNWHRSA-N 0 0 328.412 0.256 20 5 ECBDRN C[C@H](COC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[N+](=O)[O-] ZINC000813106790 587248565 /nfs/dbraw/zinc/24/85/65/587248565.db2.gz HVKZGFUEJVJNJN-HWPZZCPQSA-N 0 0 347.327 0.588 20 5 ECBDRN C[C@H](COC(=O)CSc1nnnn1CC(F)(F)F)[N+](=O)[O-] ZINC000813112599 587248620 /nfs/dbraw/zinc/24/86/20/587248620.db2.gz JDIUGSSIPQCHOV-RXMQYKEDSA-N 0 0 329.260 0.536 20 5 ECBDRN C[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1C ZINC000813463055 587254191 /nfs/dbraw/zinc/25/41/91/587254191.db2.gz MEZLSAHBYWBVIG-JTQLQIEISA-N 0 0 346.343 0.353 20 5 ECBDRN CN1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C(=O)N1 ZINC000813507401 587255438 /nfs/dbraw/zinc/25/54/38/587255438.db2.gz ISGGTQYPDRICEJ-QMMMGPOBSA-N 0 0 333.131 0.977 20 5 ECBDRN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-])cc1 ZINC000814042646 587268736 /nfs/dbraw/zinc/26/87/36/587268736.db2.gz YUBCHTVTNHKCTI-WDEREUQCSA-N 0 0 330.362 0.870 20 5 ECBDRN C[C@H](C[N+](=O)[O-])OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000814040437 587268744 /nfs/dbraw/zinc/26/87/44/587268744.db2.gz GRYXTHKKQZCEGI-MRVPVSSYSA-N 0 0 339.260 0.529 20 5 ECBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)NC(N)=O ZINC000814483337 587275618 /nfs/dbraw/zinc/27/56/18/587275618.db2.gz KLQYKDWSAWPISX-ZCFIWIBFSA-N 0 0 342.283 0.540 20 5 ECBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCCn1ccnn1 ZINC000815031867 587281309 /nfs/dbraw/zinc/28/13/09/587281309.db2.gz IBKBMALCNLEVID-UHFFFAOYSA-N 0 0 349.731 0.957 20 5 ECBDRN NS(=O)(=O)N1CCC[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC000815262623 587285363 /nfs/dbraw/zinc/28/53/63/587285363.db2.gz LLRWAQHJHWFMHN-NSHDSACASA-N 0 0 343.361 0.554 20 5 ECBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCC(=O)NC2=O)CC1 ZINC000815268559 587286063 /nfs/dbraw/zinc/28/60/63/587286063.db2.gz KWKBMVFYLMFRDK-ZDUSSCGKSA-N 0 0 346.343 0.158 20 5 ECBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1COC(=O)C1 ZINC000816679642 587319161 /nfs/dbraw/zinc/31/91/61/587319161.db2.gz DTCFOVSLDHKDDI-IUCAKERBSA-N 0 0 325.325 0.259 20 5 ECBDRN O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000816861740 587326482 /nfs/dbraw/zinc/32/64/82/587326482.db2.gz IACLQUMYUVCPKL-OXJKWZBOSA-N 0 0 331.328 0.785 20 5 ECBDRN CC(C)(CNc1ncc([N+](=O)[O-])c(N)n1)[C@H]1COCC12OCCO2 ZINC000840344607 587344528 /nfs/dbraw/zinc/34/45/28/587344528.db2.gz VMEMTKNZZJSBMT-SNVBAGLBSA-N 0 0 339.352 0.795 20 5 ECBDRN CCOC(=O)[C@H](F)C1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000817669218 587345893 /nfs/dbraw/zinc/34/58/93/587345893.db2.gz OELDZTYMJIMKID-GFCCVEGCSA-N 0 0 328.300 0.541 20 5 ECBDRN Cn1ncc(CCCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000817978714 587394064 /nfs/dbraw/zinc/39/40/64/587394064.db2.gz JMZUNQJDKUTZDL-UHFFFAOYSA-N 0 0 347.331 0.857 20 5 ECBDRN NS(=O)(=O)C1CN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000840382923 587478685 /nfs/dbraw/zinc/47/86/85/587478685.db2.gz URSKDFSMTJIJKP-UHFFFAOYSA-N 0 0 336.167 0.834 20 5 ECBDRN CS(=O)(=O)CCCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819610536 587484419 /nfs/dbraw/zinc/48/44/19/587484419.db2.gz QQJRXHWLYXNSFD-GFCCVEGCSA-N 0 0 330.362 0.569 20 5 ECBDRN CN1C(=O)CC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1=O ZINC000819723494 587487478 /nfs/dbraw/zinc/48/74/78/587487478.db2.gz JXSIYUWZHLUZSA-NSHDSACASA-N 0 0 345.315 0.208 20 5 ECBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000819727258 587487758 /nfs/dbraw/zinc/48/77/58/587487758.db2.gz WOEVIHBZFLJPQP-NSHDSACASA-N 0 0 334.332 0.538 20 5 ECBDRN CN1C(=O)CC[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000819728543 587487811 /nfs/dbraw/zinc/48/78/11/587487811.db2.gz OLZOTDQWOHLFAY-SNVBAGLBSA-N 0 0 341.270 0.950 20 5 ECBDRN CN(CCCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000819752853 587489074 /nfs/dbraw/zinc/48/90/74/587489074.db2.gz XFLGLZVCXBPNDL-CHWSQXEVSA-N 0 0 331.328 0.796 20 5 ECBDRN C[C@H](CC(=O)[O-])[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000820083753 587508234 /nfs/dbraw/zinc/50/82/34/587508234.db2.gz IDYAXJCQYIEONT-SECBINFHSA-N 0 0 331.350 0.326 20 5 ECBDRN CC(=O)N1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@@H]2C1 ZINC000820408410 587532855 /nfs/dbraw/zinc/53/28/55/587532855.db2.gz SNCYPXBPQOAXMK-AOOOYVTPSA-N 0 0 336.323 0.866 20 5 ECBDRN C[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820502964 587538265 /nfs/dbraw/zinc/53/82/65/587538265.db2.gz WQBFQFVGNJVIFT-QMMMGPOBSA-N 0 0 344.291 0.671 20 5 ECBDRN Cc1ccnc(N2CCS(=O)(=NS(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000820591856 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ODCWEUQHWIUTOX-UHFFFAOYSA-N 0 0 349.351 0.001 20 5 ECBDRN Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]32)c(C)o1 ZINC000976160491 743636830 /nfs/dbraw/zinc/63/68/30/743636830.db2.gz SPWRUZFFKYZVEJ-RGDJUOJXSA-N 0 0 333.344 0.748 20 5 ECBDRN CCn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000976479993 743991061 /nfs/dbraw/zinc/99/10/61/743991061.db2.gz IPZQTIZLIWJZOH-BLUODKFWSA-N 0 0 332.360 0.360 20 5 ECBDRN O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccccc3F)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000976473500 744001426 /nfs/dbraw/zinc/00/14/26/744001426.db2.gz JRGIURAWTBKEHL-BLUODKFWSA-N 0 0 333.319 0.678 20 5 ECBDRN O=C(Cc1ccccc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000976476335 744004041 /nfs/dbraw/zinc/00/40/41/744004041.db2.gz DKMLLYYKKWAXFH-SSZWKKLZSA-N 0 0 329.356 0.467 20 5 ECBDRN O=C(CCc1ccncc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000976476196 744004091 /nfs/dbraw/zinc/00/40/91/744004091.db2.gz CQRNRAHWFYBVDY-SSZWKKLZSA-N 0 0 344.371 0.252 20 5 ECBDRN O=C(CCc1ccccn1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000976476824 744004607 /nfs/dbraw/zinc/00/46/07/744004607.db2.gz FVAUCKXJMGHMTF-SSZWKKLZSA-N 0 0 344.371 0.252 20 5 ECBDRN CC(C)Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC000998433422 744165741 /nfs/dbraw/zinc/16/57/41/744165741.db2.gz QUEJUVNCEAYGGT-CHWSQXEVSA-N 0 0 335.364 0.145 20 5 ECBDRN CCOc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC000999494280 744721967 /nfs/dbraw/zinc/72/19/67/744721967.db2.gz CIZXCPONZFPPHU-ZIAGYGMSSA-N 0 0 333.344 0.691 20 5 ECBDRN COc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1OC ZINC000999526408 744739508 /nfs/dbraw/zinc/73/95/08/744739508.db2.gz WKDKKYYJMZZQJE-VXGBXAGGSA-N 0 0 349.343 0.310 20 5 ECBDRN COc1cccc(CC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC000999573529 744768700 /nfs/dbraw/zinc/76/87/00/744768700.db2.gz QXJCYTBSRAUMAY-ZIAGYGMSSA-N 0 0 333.344 0.230 20 5 ECBDRN CCOC(=O)c1ccc(NC2CN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC001168224636 751945866 /nfs/dbraw/zinc/94/58/66/751945866.db2.gz LDWDFUWRNZNPCO-UHFFFAOYSA-N 0 0 343.361 0.827 20 5 ECBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2N=NC(=O)N2C)c1 ZINC001143595840 751959937 /nfs/dbraw/zinc/95/99/37/751959937.db2.gz AYONPMUZMRLQNB-UHFFFAOYSA-N 0 0 335.320 0.823 20 5 ECBDRN Cc1cc(N[C@H]2C[C@H](NC(=O)c3cc(=O)n(C)o3)C2)ncc1[N+](=O)[O-] ZINC001059192563 745100790 /nfs/dbraw/zinc/10/07/90/745100790.db2.gz JUJPKGWJTFMDJO-MGCOHNPYSA-N 0 0 347.331 0.963 20 5 ECBDRN O=C(CN1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCC1 ZINC001000668632 745684247 /nfs/dbraw/zinc/68/42/47/745684247.db2.gz FWVGDUCTLNKDOV-ZIAGYGMSSA-N 0 0 336.392 0.022 20 5 ECBDRN Cc1cnc(N(C)CCN(C)C(=O)c2cnnn2C)c([N+](=O)[O-])c1 ZINC001105393250 745777622 /nfs/dbraw/zinc/77/76/22/745777622.db2.gz OIGBESWNYIMMGU-UHFFFAOYSA-N 0 0 333.352 0.635 20 5 ECBDRN COCCC(=O)NCCN(CCOC)c1nccc(C)c1[N+](=O)[O-] ZINC001126157518 745804738 /nfs/dbraw/zinc/80/47/38/745804738.db2.gz IDTYIZXZVYWLFB-UHFFFAOYSA-N 0 0 340.380 0.904 20 5 ECBDRN Cc1c[nH]nc1C(=O)N(C)CCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001105396365 746107727 /nfs/dbraw/zinc/10/77/27/746107727.db2.gz XJJRZRKJPYRBKH-UHFFFAOYSA-N 0 0 334.336 0.935 20 5 ECBDRN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ncccc1F ZINC000978794626 746699766 /nfs/dbraw/zinc/69/97/66/746699766.db2.gz HFPINDWQACBBDU-DTHBNOIPSA-N 0 0 336.323 0.511 20 5 ECBDRN Cc1nnsc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000978790433 746715482 /nfs/dbraw/zinc/71/54/82/746715482.db2.gz AIKRDDFOUHJRMK-UTINFBMNSA-N 0 0 339.377 0.136 20 5 ECBDRN O=C(NCC1CN(C(=O)C2(c3ccccc3)CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001802058 746734246 /nfs/dbraw/zinc/73/42/46/746734246.db2.gz IEJNIAIKUIHTEM-HUUCEWRRSA-N 0 0 343.383 0.958 20 5 ECBDRN CCn1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC000978795286 746735564 /nfs/dbraw/zinc/73/55/64/746735564.db2.gz OGMXRYLEWNPESF-GWNIPJSYSA-N 0 0 335.364 0.193 20 5 ECBDRN O=C(NCC1CN(C(=O)c2cc3c([nH]2)CCCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001810520 746739609 /nfs/dbraw/zinc/73/96/09/746739609.db2.gz OHVNQOWZOGJXAM-IUODEOHRSA-N 0 0 346.387 0.747 20 5 ECBDRN COc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC000978817168 746742061 /nfs/dbraw/zinc/74/20/61/746742061.db2.gz VNBCCDHSRPOLQW-GWNIPJSYSA-N 0 0 348.359 0.380 20 5 ECBDRN CCc1c(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cnn1C ZINC000979014667 747060064 /nfs/dbraw/zinc/06/00/64/747060064.db2.gz PXMBYKFKYANDFP-FBKDDSFISA-N 0 0 349.391 0.272 20 5 ECBDRN O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(=O)[nH]c1 ZINC000979289930 747520058 /nfs/dbraw/zinc/52/00/58/747520058.db2.gz QIMOCPPTTFNMEC-SASUGWTJSA-N 0 0 334.332 0.077 20 5 ECBDRN CCS(=O)(=O)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001105411617 747544683 /nfs/dbraw/zinc/54/46/83/747544683.db2.gz NVPVJGSITSVWQH-UHFFFAOYSA-N 0 0 344.393 0.319 20 5 ECBDRN COc1ncc(CN2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)n1 ZINC001002781389 747776792 /nfs/dbraw/zinc/77/67/92/747776792.db2.gz AJUKDDSPZKKRPD-ZIAGYGMSSA-N 0 0 349.391 0.539 20 5 ECBDRN CCn1nnc(C)c1CN1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002783478 747781248 /nfs/dbraw/zinc/78/12/48/747781248.db2.gz TXHCLGNOSHUTNE-CHWSQXEVSA-N 0 0 336.396 0.352 20 5 ECBDRN Cc1cnc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC000979437457 747837355 /nfs/dbraw/zinc/83/73/55/747837355.db2.gz UFAUBRUQBAQPLF-PRULPYPASA-N 0 0 333.348 0.075 20 5 ECBDRN CN(Cc1nnc(C2CC2)[nH]1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426589 747983051 /nfs/dbraw/zinc/98/30/51/747983051.db2.gz SNJXTJCMBBMZFG-CHWSQXEVSA-N 0 0 348.407 0.770 20 5 ECBDRN CN(CC1CCN(C(=O)CC(C)(C)O)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000988513885 752234565 /nfs/dbraw/zinc/23/45/65/752234565.db2.gz JSRJCUVPGPFIOP-CHWSQXEVSA-N 0 0 341.408 0.510 20 5 ECBDRN O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ncc2ccccn21 ZINC001003214881 748297524 /nfs/dbraw/zinc/29/75/24/748297524.db2.gz WMBDQIZPIUKFSB-CHWSQXEVSA-N 0 0 343.343 0.188 20 5 ECBDRN CCn1nccc1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000979738433 748317880 /nfs/dbraw/zinc/31/78/80/748317880.db2.gz JMGFPFSHTPSBCY-PRULPYPASA-N 0 0 335.364 0.193 20 5 ECBDRN Cc1cncc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC000979740055 748321527 /nfs/dbraw/zinc/32/15/27/748321527.db2.gz SICRQPNDPCBRFZ-FMKGYKFTSA-N 0 0 332.360 0.680 20 5 ECBDRN CCc1cccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC000979750069 748342171 /nfs/dbraw/zinc/34/21/71/748342171.db2.gz SJKALCFRVJWWSU-BPGGGUHBSA-N 0 0 346.387 0.934 20 5 ECBDRN O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc2c([nH]1)CCC2 ZINC001003252344 748346705 /nfs/dbraw/zinc/34/67/05/748346705.db2.gz SPKLOWIYQHEUMD-BXUZGUMPSA-N 0 0 332.360 0.357 20 5 ECBDRN Cc1cc(N(C)CCN(C)C(=O)Cc2nnc[nH]2)ncc1[N+](=O)[O-] ZINC001105469778 752269255 /nfs/dbraw/zinc/26/92/55/752269255.db2.gz BESYYMMVHMKJME-UHFFFAOYSA-N 0 0 333.352 0.554 20 5 ECBDRN COCCN(CCNC(=O)c1cn[nH]c1)c1nc(C)ccc1[N+](=O)[O-] ZINC001126226981 748430675 /nfs/dbraw/zinc/43/06/75/748430675.db2.gz MEVDPIVLTMRFCH-UHFFFAOYSA-N 0 0 348.363 0.904 20 5 ECBDRN Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C(=O)CN2CCCC2=O)n1 ZINC001105344803 748438106 /nfs/dbraw/zinc/43/81/06/748438106.db2.gz ZCIKJMJVNWLZTQ-UHFFFAOYSA-N 0 0 349.391 0.815 20 5 ECBDRN O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1occ2c1CCC2 ZINC001003355332 748462883 /nfs/dbraw/zinc/46/28/83/748462883.db2.gz YXJWVALZJDEJBJ-CHWSQXEVSA-N 0 0 333.344 0.622 20 5 ECBDRN Cc1[nH]nc(C(=O)N[C@H]2C[C@@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)c1C ZINC001059589129 748639711 /nfs/dbraw/zinc/63/97/11/748639711.db2.gz ZIBMSYGCZYRIRA-DTORHVGOSA-N 0 0 346.351 0.680 20 5 ECBDRN Cc1cc([N+](=O)[O-])cnc1N(C)CCN(C)C(=O)CCCC(N)=O ZINC001105419294 748790659 /nfs/dbraw/zinc/79/06/59/748790659.db2.gz QIMCOXXUYGDQAN-UHFFFAOYSA-N 0 0 337.380 0.848 20 5 ECBDRN Cc1nnc(CC(=O)N[C@H]2C[C@@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)[nH]1 ZINC001059631805 748972052 /nfs/dbraw/zinc/97/20/52/748972052.db2.gz QKJPNBBZERFFHQ-DTORHVGOSA-N 0 0 347.335 0.424 20 5 ECBDRN Cc1cnc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)c1 ZINC000980121541 749014981 /nfs/dbraw/zinc/01/49/81/749014981.db2.gz OSDGJBJQISBFBY-AAVRWANBSA-N 0 0 346.387 0.988 20 5 ECBDRN COc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc(C)n1 ZINC001003898449 749021700 /nfs/dbraw/zinc/02/17/00/749021700.db2.gz RHRZMRSJPAVXCM-CHWSQXEVSA-N 0 0 348.359 0.252 20 5 ECBDRN O=C(CN1C(=O)CCC1=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001059640561 749049397 /nfs/dbraw/zinc/04/93/97/749049397.db2.gz QBSFQVXZVCYYFR-AOOOYVTPSA-N 0 0 347.331 0.198 20 5 ECBDRN CCOc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ccn1 ZINC001004201337 749307706 /nfs/dbraw/zinc/30/77/06/749307706.db2.gz 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COc1ccc(CNC(=O)C2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000279301989 263873781 /nfs/dbraw/zinc/87/37/81/263873781.db2.gz MFROWUGZMLXKKW-UHFFFAOYSA-N 0 0 328.346 0.797 20 5 ECBDRN Cc1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc([N+](=O)[O-])c1 ZINC000279537186 263886376 /nfs/dbraw/zinc/88/63/76/263886376.db2.gz QMQSAYITKTVFCX-HNNXBMFYSA-N 0 0 332.316 0.717 20 5 ECBDRN CCCc1n[nH]c(C(=O)NC[C@@H](CO)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000280569222 263940150 /nfs/dbraw/zinc/94/01/50/263940150.db2.gz VWGCGNZNBMKZJX-UWVGGRQHSA-N 0 0 326.353 0.645 20 5 ECBDRN O=C1N[C@H]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000280927141 263954713 /nfs/dbraw/zinc/95/47/13/263954713.db2.gz BMXSVIVXWYRORO-ZJUUUORDSA-N 0 0 341.345 0.714 20 5 ECBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCN1C(=O)CCC1=O ZINC000281052519 263961750 /nfs/dbraw/zinc/96/17/50/263961750.db2.gz XQSCJNBSJNZSNP-UHFFFAOYSA-N 0 0 335.316 0.872 20 5 ECBDRN O=C1CCC(=O)N1CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000281102888 263964967 /nfs/dbraw/zinc/96/49/67/263964967.db2.gz FLVHHDVGYAETCP-UHFFFAOYSA-N 0 0 331.288 0.805 20 5 ECBDRN COC(=O)Nc1ccc(S(=O)(=O)N(C)CCCO)cc1[N+](=O)[O-] ZINC000282126465 264017478 /nfs/dbraw/zinc/01/74/78/264017478.db2.gz UONQGNCJNJUUNF-UHFFFAOYSA-N 0 0 347.349 0.776 20 5 ECBDRN COc1ccc(NC(=O)C(=O)N(C)CCOCCO)cc1[N+](=O)[O-] ZINC000282288216 264031974 /nfs/dbraw/zinc/03/19/74/264031974.db2.gz YWFZBNSADACQBP-UHFFFAOYSA-N 0 0 341.320 0.009 20 5 ECBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCNS(C)(=O)=O ZINC000282281573 264032108 /nfs/dbraw/zinc/03/21/08/264032108.db2.gz BJIQKGFABFEGDF-UHFFFAOYSA-N 0 0 344.393 0.328 20 5 ECBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000282543552 264051269 /nfs/dbraw/zinc/05/12/69/264051269.db2.gz IGSYWXSZZQLVHI-GFCCVEGCSA-N 0 0 341.389 0.966 20 5 ECBDRN COc1ccc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000282607425 264053666 /nfs/dbraw/zinc/05/36/66/264053666.db2.gz VANMQIZNBVMQQD-SNVBAGLBSA-N 0 0 328.346 0.863 20 5 ECBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC(C)(O)C2)c(C)c1[N+](=O)[O-] ZINC000283023539 264077968 /nfs/dbraw/zinc/07/79/68/264077968.db2.gz FLDYJIAIIKYREX-UHFFFAOYSA-N 0 0 345.333 0.875 20 5 ECBDRN C[C@H](NS(C)(=O)=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000283352345 264109261 /nfs/dbraw/zinc/10/92/61/264109261.db2.gz PSFUBYNRBPHVJE-JTQLQIEISA-N 0 0 329.378 0.533 20 5 ECBDRN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC000283429982 264116270 /nfs/dbraw/zinc/11/62/70/264116270.db2.gz HGTSBRGZUQDQPF-GFCCVEGCSA-N 0 0 343.347 0.604 20 5 ECBDRN Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC(=O)N(C)C2=O)c1[N+](=O)[O-] ZINC000283469510 264120836 /nfs/dbraw/zinc/12/08/36/264120836.db2.gz GLNBQXYDLSGWPA-VIFPVBQESA-N 0 0 341.345 0.247 20 5 ECBDRN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CC(=O)N(C)C1=O ZINC000283525727 264126108 /nfs/dbraw/zinc/12/61/08/264126108.db2.gz LTRKSXLUSSHCFZ-GFCCVEGCSA-N 0 0 334.332 0.787 20 5 ECBDRN COC[C@H](CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)OC ZINC000283803561 264154144 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O=C(c1cc([N+](=O)[O-])n[nH]1)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000286049872 264364171 /nfs/dbraw/zinc/36/41/71/264364171.db2.gz RBVOFEJYEIMYBK-SECBINFHSA-N 0 0 325.350 0.455 20 5 ECBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC(=O)N1CCOCC1 ZINC000286111323 264371035 /nfs/dbraw/zinc/37/10/35/264371035.db2.gz DPHSQNLNTZUNHR-UHFFFAOYSA-N 0 0 337.332 0.961 20 5 ECBDRN COC(=O)c1cc(C)nc(N2C[C@@H](OC)[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000286153905 264375154 /nfs/dbraw/zinc/37/51/54/264375154.db2.gz AQXFDIKMAGURMG-PHIMTYICSA-N 0 0 325.321 0.935 20 5 ECBDRN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCC[C@](F)(CO)C2)c1 ZINC000286261724 264383851 /nfs/dbraw/zinc/38/38/51/264383851.db2.gz CWKVGCVAYNXJOJ-GFCCVEGCSA-N 0 0 333.341 0.543 20 5 ECBDRN COC(=O)c1cc(C)nc(NC[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000286258976 264384066 /nfs/dbraw/zinc/38/40/66/264384066.db2.gz VROXJAOWDKTGQB-VIFPVBQESA-N 0 0 343.361 0.931 20 5 ECBDRN CO[C@H](C)CN(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000286409865 264396041 /nfs/dbraw/zinc/39/60/41/264396041.db2.gz NUTKVAAQFTXAJS-SECBINFHSA-N 0 0 335.316 0.684 20 5 ECBDRN NC(=O)[C@@]1(O)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000286439970 264397734 /nfs/dbraw/zinc/39/77/34/264397734.db2.gz HYXURJLMRQVAFJ-CQSZACIVSA-N 0 0 335.341 0.872 20 5 ECBDRN Cc1cc(S(=O)(=O)N2[C@@H](CO)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000286837039 264428463 /nfs/dbraw/zinc/42/84/63/264428463.db2.gz WLJLXCWCRDDJOM-GHMZBOCLSA-N 0 0 330.362 0.410 20 5 ECBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000286933232 264433456 /nfs/dbraw/zinc/43/34/56/264433456.db2.gz OZBCFYJGWUPLTA-LBPRGKRZSA-N 0 0 348.359 0.227 20 5 ECBDRN O=C1c2cc([N+](=O)[O-])ccc2S(=O)(=O)N1CCC1OCCCO1 ZINC000289450909 264562627 /nfs/dbraw/zinc/56/26/27/264562627.db2.gz FAGIEAKOYNNSDF-UHFFFAOYSA-N 0 0 342.329 0.892 20 5 ECBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@]1(C)CCOC1=O ZINC000289586069 264569482 /nfs/dbraw/zinc/56/94/82/264569482.db2.gz PJVXWNUDBUSWNZ-GFCCVEGCSA-N 0 0 330.318 0.587 20 5 ECBDRN CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000290248840 264598082 /nfs/dbraw/zinc/59/80/82/264598082.db2.gz CPLHNSYLXPUKNW-VIFPVBQESA-N 0 0 336.348 0.737 20 5 ECBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCS(=O)(=O)CC1 ZINC000291511833 264704040 /nfs/dbraw/zinc/70/40/40/264704040.db2.gz WSYXXZDQWLTCFV-UHFFFAOYSA-N 0 0 341.389 0.826 20 5 ECBDRN Cc1c(C(=O)N(C)C[C@@H](C)O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000292147924 264770800 /nfs/dbraw/zinc/77/08/00/264770800.db2.gz RQFLMYDSPKBDIU-SSDOTTSWSA-N 0 0 331.350 0.003 20 5 ECBDRN CCc1n[nH]c(C(=O)N2CCc3c(nnn3CCOC)C2)c1[N+](=O)[O-] ZINC000293793431 264925526 /nfs/dbraw/zinc/92/55/26/264925526.db2.gz AYJDMWQNTNMMPJ-UHFFFAOYSA-N 0 0 349.351 0.317 20 5 ECBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC2(C1)CCOC2 ZINC000294542567 265004092 /nfs/dbraw/zinc/00/40/92/265004092.db2.gz UDLBPDIJNQNGRI-UHFFFAOYSA-N 0 0 333.344 0.964 20 5 ECBDRN O=C(c1cn[nH]n1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000294686254 265017251 /nfs/dbraw/zinc/01/72/51/265017251.db2.gz WJLQJKWPJHJDAL-UHFFFAOYSA-N 0 0 330.304 0.311 20 5 ECBDRN NC(=O)[C@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294843016 265028766 /nfs/dbraw/zinc/02/87/66/265028766.db2.gz IDNNHSLJSKNWER-LBPRGKRZSA-N 0 0 347.249 0.676 20 5 ECBDRN Cc1ccc(C)c(S(=O)(=O)N2CCOC[C@H](O)C2)c1[N+](=O)[O-] ZINC000295217674 265052586 /nfs/dbraw/zinc/05/25/86/265052586.db2.gz HDTXVSRJVHDCFB-LLVKDONJSA-N 0 0 330.362 0.593 20 5 ECBDRN COC(=O)[C@@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@@H](C)O ZINC000295285870 265059445 /nfs/dbraw/zinc/05/94/45/265059445.db2.gz IWSPKDXRNIVGOX-OQPBUACISA-N 0 0 348.315 0.637 20 5 ECBDRN NS(=O)(=O)CCOCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000295635254 265071933 /nfs/dbraw/zinc/07/19/33/265071933.db2.gz CPGQOFQPIAGEHT-UHFFFAOYSA-N 0 0 340.361 0.860 20 5 ECBDRN CC[C@@H](CNS(C)(=O)=O)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000295692295 265075589 /nfs/dbraw/zinc/07/55/89/265075589.db2.gz UTLCVHZFSZBREI-JTQLQIEISA-N 0 0 329.378 0.961 20 5 ECBDRN C[C@@H](CCCCO)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000295924073 265085418 /nfs/dbraw/zinc/08/54/18/265085418.db2.gz HMZCURCYONLUHT-JTQLQIEISA-N 0 0 349.343 0.858 20 5 ECBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000296083329 265094502 /nfs/dbraw/zinc/09/45/02/265094502.db2.gz FGFNBFBCGUKJKN-LBPRGKRZSA-N 0 0 343.405 0.720 20 5 ECBDRN C[C@@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC(=O)N1 ZINC000296327555 265104730 /nfs/dbraw/zinc/10/47/30/265104730.db2.gz VFCYPKRVWNKCAR-SSDOTTSWSA-N 0 0 340.723 0.534 20 5 ECBDRN C[C@H](NC(=O)NCCCN1C(=O)CNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296525951 265111436 /nfs/dbraw/zinc/11/14/36/265111436.db2.gz DEZNNQNYAQSDBU-JTQLQIEISA-N 0 0 349.347 0.897 20 5 ECBDRN CN([C@H]1CCN2CCO[C@H]1C2)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000297145142 265128102 /nfs/dbraw/zinc/12/81/02/265128102.db2.gz RAYZEVREKQGSRF-AAEUAGOBSA-N 0 0 341.389 0.688 20 5 ECBDRN NC(=O)C1=NO[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000297316493 265138167 /nfs/dbraw/zinc/13/81/67/265138167.db2.gz ISALXWPXERVGDX-NSHDSACASA-N 0 0 335.320 0.067 20 5 ECBDRN COC(=O)Cc1ccc(NC[C@@H]2CN3CCN2CC3)c([N+](=O)[O-])c1 ZINC000297383994 265143355 /nfs/dbraw/zinc/14/33/55/265143355.db2.gz DPXDYZWRPRWQGG-CYBMUJFWSA-N 0 0 334.376 0.722 20 5 ECBDRN CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000298123948 265225546 /nfs/dbraw/zinc/22/55/46/265225546.db2.gz UYIBJPFGUJDXBI-QMMMGPOBSA-N 0 0 331.350 0.406 20 5 ECBDRN COC(=O)C[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000298299335 265235506 /nfs/dbraw/zinc/23/55/06/265235506.db2.gz QBNJXPHVGGTKED-NXEZZACHSA-N 0 0 337.332 0.781 20 5 ECBDRN CCC[C@](C)(NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)OC ZINC000298801701 265283306 /nfs/dbraw/zinc/28/33/06/265283306.db2.gz NVRMYEZEBPTTHV-AWEZNQCLSA-N 0 0 325.321 0.605 20 5 ECBDRN C[C@H](Cn1cncn1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000298799841 265284551 /nfs/dbraw/zinc/28/45/51/265284551.db2.gz PEHYTJFBNPZERR-SECBINFHSA-N 0 0 333.304 0.776 20 5 ECBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000298872448 265291904 /nfs/dbraw/zinc/29/19/04/265291904.db2.gz LAYXYXMLQVLTJJ-UHFFFAOYSA-N 0 0 329.316 0.916 20 5 ECBDRN CNC(=O)CCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000298947925 265305466 /nfs/dbraw/zinc/30/54/66/265305466.db2.gz QPJKZUOWPIYGTD-UHFFFAOYSA-N 0 0 349.391 0.953 20 5 ECBDRN CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000053835138 276098765 /nfs/dbraw/zinc/09/87/65/276098765.db2.gz PHCMTKITEUEONS-UHFFFAOYSA-N 0 0 330.304 0.950 20 5 ECBDRN C[C@@H](O)CN1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189387030 437594806 /nfs/dbraw/zinc/59/48/06/437594806.db2.gz QVXWQFMWCOPDHQ-OLZOCXBDSA-N 0 0 336.392 0.920 20 5 ECBDRN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000268166934 276785833 /nfs/dbraw/zinc/78/58/33/276785833.db2.gz JIRZDSWAUWSQIM-JTQLQIEISA-N 0 0 344.393 0.114 20 5 ECBDRN CC(C)(C)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000182156545 277227339 /nfs/dbraw/zinc/22/73/39/277227339.db2.gz PISAIQPDEOOFAK-LBPRGKRZSA-N 0 0 343.405 0.858 20 5 ECBDRN CNC(=O)CN1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413028656 277230131 /nfs/dbraw/zinc/23/01/31/277230131.db2.gz QHSPMQBRCICWNO-UHFFFAOYSA-N 0 0 347.297 0.877 20 5 ECBDRN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[C@@H]2COCCO2)C1=O ZINC000330726074 437599072 /nfs/dbraw/zinc/59/90/72/437599072.db2.gz KIKMUAZHXBYPQV-IUODEOHRSA-N 0 0 335.316 0.982 20 5 ECBDRN CC(C)n1nnnc1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459497325 278154820 /nfs/dbraw/zinc/15/48/20/278154820.db2.gz RWJMKEVKVVHPNJ-UHFFFAOYSA-N 0 0 332.368 0.879 20 5 ECBDRN C[C@H](CS(C)(=O)=O)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343539380 437600113 /nfs/dbraw/zinc/60/01/13/437600113.db2.gz UIVQUKZZZRJURS-NEPJUHHUSA-N 0 0 346.405 0.699 20 5 ECBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@]1(CCO)CCOC1 ZINC000354375261 437600440 /nfs/dbraw/zinc/60/04/40/437600440.db2.gz ANNWIHRBTIVWQA-CYBMUJFWSA-N 0 0 345.377 0.443 20 5 ECBDRN C[C@@H]1CO[C@@H](CO)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343542801 437603393 /nfs/dbraw/zinc/60/33/93/437603393.db2.gz VAGNMTAIJAEFJX-JHJVBQTASA-N 0 0 326.349 0.416 20 5 ECBDRN Cc1nn([C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000330744140 437603528 /nfs/dbraw/zinc/60/35/28/437603528.db2.gz DALWJKODAFGPBZ-VHSXEESVSA-N 0 0 330.366 0.306 20 5 ECBDRN CC[C@@H](NC(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)OC ZINC000438970136 280180897 /nfs/dbraw/zinc/18/08/97/280180897.db2.gz GAESOBMBCIXGGL-VHSXEESVSA-N 0 0 341.368 0.895 20 5 ECBDRN CN1CCC[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1=O ZINC000360467420 437609073 /nfs/dbraw/zinc/60/90/73/437609073.db2.gz FRSMDGSONCHKNC-VIFPVBQESA-N 0 0 331.325 0.633 20 5 ECBDRN NC(=O)c1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000354422951 437613949 /nfs/dbraw/zinc/61/39/49/437613949.db2.gz WHNKMOOFUZOKLY-UHFFFAOYSA-N 0 0 347.283 0.988 20 5 ECBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)Cc1nncn1C ZINC000354435224 437614776 /nfs/dbraw/zinc/61/47/76/437614776.db2.gz OPSNSJLUGTYHSE-UHFFFAOYSA-N 0 0 346.347 0.883 20 5 ECBDRN CN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(C)(C)C1=O ZINC000118984771 290052242 /nfs/dbraw/zinc/05/22/42/290052242.db2.gz YPQHMKRFYZRUDB-UHFFFAOYSA-N 0 0 345.352 0.975 20 5 ECBDRN C[C@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@H]1CO ZINC000331877601 296977664 /nfs/dbraw/zinc/97/76/64/296977664.db2.gz BSBLTCMSMUNWBQ-GWCFXTLKSA-N 0 0 349.343 0.550 20 5 ECBDRN CC[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000331955176 296985736 /nfs/dbraw/zinc/98/57/36/296985736.db2.gz OFXGKHIOAAVCGD-GWCFXTLKSA-N 0 0 349.343 0.550 20 5 ECBDRN Cc1ccnc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000332113088 297003368 /nfs/dbraw/zinc/00/33/68/297003368.db2.gz GOOBXVLTXWUDIO-UHFFFAOYSA-N 0 0 330.348 0.844 20 5 ECBDRN C[C@@H]1CN(CCO)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000450952201 297006848 /nfs/dbraw/zinc/00/68/48/297006848.db2.gz HJZFJEAWTBKJMR-LLVKDONJSA-N 0 0 343.405 0.501 20 5 ECBDRN Cc1cc(S(=O)(=O)N2CCOC[C@H](O)C2)c(C)cc1[N+](=O)[O-] ZINC000332217393 297017965 /nfs/dbraw/zinc/01/79/65/297017965.db2.gz JBFZGJOVGVPXDX-LLVKDONJSA-N 0 0 330.362 0.593 20 5 ECBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000332250313 297021943 /nfs/dbraw/zinc/02/19/43/297021943.db2.gz BPHUWAOXVUWNRS-KBPBESRZSA-N 0 0 334.376 0.857 20 5 ECBDRN C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[S@@]1=O ZINC000332309952 297029459 /nfs/dbraw/zinc/02/94/59/297029459.db2.gz XENDUEHYIINVER-BGJPBQGDSA-N 0 0 337.401 0.937 20 5 ECBDRN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000332333508 297032736 /nfs/dbraw/zinc/03/27/36/297032736.db2.gz QNDBZYWEFXEBHB-BYCMXARLSA-N 0 0 334.376 0.937 20 5 ECBDRN C[C@@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC(=O)N1C ZINC000332584116 297055259 /nfs/dbraw/zinc/05/52/59/297055259.db2.gz HSCRZMXTPUTTJY-SNVBAGLBSA-N 0 0 349.343 0.598 20 5 ECBDRN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000332733076 297068617 /nfs/dbraw/zinc/06/86/17/297068617.db2.gz UZMCALINJHIQRN-PSASIEDQSA-N 0 0 341.393 0.758 20 5 ECBDRN CC[C@](C)(CO)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000359568148 299865520 /nfs/dbraw/zinc/86/55/20/299865520.db2.gz WJPXEGWLNDQZPF-OAHLLOKOSA-N 0 0 338.364 0.671 20 5 ECBDRN CN1CCC[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000359605158 299869957 /nfs/dbraw/zinc/86/99/57/299869957.db2.gz XHLMBPZYTHDDDE-CYBMUJFWSA-N 0 0 348.359 0.452 20 5 ECBDRN COC(=O)c1cc(C(=O)N[C@H]2CCCN(C)C2=O)cc([N+](=O)[O-])c1 ZINC000359598083 299868807 /nfs/dbraw/zinc/86/88/07/299868807.db2.gz BKLVKTHKDFASSZ-LBPRGKRZSA-N 0 0 335.316 0.732 20 5 ECBDRN NC(=O)c1cc([N+](=O)[O-])cn(CCc2ccc3c(c2)OCCO3)c1=O ZINC000359773106 299889466 /nfs/dbraw/zinc/88/94/66/299889466.db2.gz MPBOOYUCHWRLAW-UHFFFAOYSA-N 0 0 345.311 0.869 20 5 ECBDRN C[C@@H](C(=O)NCCS(=O)(=O)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000359780709 299890864 /nfs/dbraw/zinc/89/08/64/299890864.db2.gz CIAIPVIKUVXTAW-SECBINFHSA-N 0 0 347.368 0.845 20 5 ECBDRN NC(=O)[C@@H]1CCCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183401889 295105607 /nfs/dbraw/zinc/10/56/07/295105607.db2.gz LNAGMGYZPGWDGC-ZDUSSCGKSA-N 0 0 341.389 0.807 20 5 ECBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)C(=O)NCCF)c1 ZINC000337210605 297185398 /nfs/dbraw/zinc/18/53/98/297185398.db2.gz UFZDYDVOONTPAJ-SNVBAGLBSA-N 0 0 347.368 0.964 20 5 ECBDRN CS(=O)(=O)[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000337507281 297193074 /nfs/dbraw/zinc/19/30/74/297193074.db2.gz ISTRZEJWMDAUEK-GFCCVEGCSA-N 0 0 328.346 0.619 20 5 ECBDRN COc1ccc(COc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])nn1 ZINC000337754154 297213849 /nfs/dbraw/zinc/21/38/49/297213849.db2.gz KRWDADCWJKMQGG-UHFFFAOYSA-N 0 0 340.317 0.620 20 5 ECBDRN CCn1cc(S(=O)(=O)N(CC2CCC2)[C@H](C)CO)c([N+](=O)[O-])n1 ZINC000337774341 297215130 /nfs/dbraw/zinc/21/51/30/297215130.db2.gz PKACZJNAQNTDGH-SNVBAGLBSA-N 0 0 346.409 0.983 20 5 ECBDRN COCCN1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1=O ZINC000337867135 297220873 /nfs/dbraw/zinc/22/08/73/297220873.db2.gz OQBBRHCINUHYIH-UHFFFAOYSA-N 0 0 343.361 0.251 20 5 ECBDRN CS(=O)(=O)N1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000337956330 297228643 /nfs/dbraw/zinc/22/86/43/297228643.db2.gz IPOQFONOQLYGSO-NSHDSACASA-N 0 0 345.352 0.888 20 5 ECBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000337983805 297232053 /nfs/dbraw/zinc/23/20/53/297232053.db2.gz AYWSCZRJQWNKCL-PHIMTYICSA-N 0 0 344.345 0.392 20 5 ECBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC(Cn2ccnn2)CC1 ZINC000338019893 297234002 /nfs/dbraw/zinc/23/40/02/297234002.db2.gz GYBZLNNRMRLKSO-UHFFFAOYSA-N 0 0 346.347 0.287 20 5 ECBDRN COCCCNC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000338055546 297237768 /nfs/dbraw/zinc/23/77/68/297237768.db2.gz WLHCSEDEVWQBLL-UHFFFAOYSA-N 0 0 339.348 0.828 20 5 ECBDRN NS(=O)(=O)Cc1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000338069696 297239067 /nfs/dbraw/zinc/23/90/67/297239067.db2.gz MVPCSJUKGLOMAV-UHFFFAOYSA-N 0 0 339.333 0.219 20 5 ECBDRN C[C@]1(O)CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000338205781 297243599 /nfs/dbraw/zinc/24/35/99/297243599.db2.gz KXVMWBAZDQWMQD-ZDUSSCGKSA-N 0 0 328.346 0.595 20 5 ECBDRN COCCO[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000338271052 297252616 /nfs/dbraw/zinc/25/26/16/297252616.db2.gz KGAZABIJOWIJGK-ZDUSSCGKSA-N 0 0 326.353 0.835 20 5 ECBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1nccnc1C(N)=O ZINC000338333131 297258639 /nfs/dbraw/zinc/25/86/39/297258639.db2.gz UGFXLEMLPVTRSJ-UHFFFAOYSA-N 0 0 329.316 0.798 20 5 ECBDRN O=C1[C@@H](N2C[C@@H]3COC[C@H](C2)O3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000338370636 297261936 /nfs/dbraw/zinc/26/19/36/297261936.db2.gz XJEIWQVNSOQWBE-ZNMIVQPWSA-N 0 0 333.344 0.800 20 5 ECBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](COC)C(=O)OC)c1 ZINC000338575447 297278730 /nfs/dbraw/zinc/27/87/30/297278730.db2.gz AOTAWWUXBYDMDW-NSHDSACASA-N 0 0 326.305 0.911 20 5 ECBDRN CCc1[nH]nc(C(=O)Nc2ccc(OCC(N)=O)cc2)c1[N+](=O)[O-] ZINC000338589075 297279640 /nfs/dbraw/zinc/27/96/40/297279640.db2.gz IUXVZAOWSBKBNK-UHFFFAOYSA-N 0 0 333.304 0.997 20 5 ECBDRN CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000338647083 297285462 /nfs/dbraw/zinc/28/54/62/297285462.db2.gz BKXYQSSMKORVNH-UWVGGRQHSA-N 0 0 325.369 0.946 20 5 ECBDRN Cc1nn(C)c(C(=O)NCCc2cccc(C(N)=O)c2)c1[N+](=O)[O-] ZINC000338686040 297289058 /nfs/dbraw/zinc/28/90/58/297289058.db2.gz BWVJSOMAIDMSDZ-UHFFFAOYSA-N 0 0 331.332 0.708 20 5 ECBDRN Cc1ccc(NC(=O)C(=O)N2CC[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000338898734 297307311 /nfs/dbraw/zinc/30/73/11/297307311.db2.gz BFLLGAJQLDDYDS-CQSZACIVSA-N 0 0 325.296 0.775 20 5 ECBDRN CCC(CC)[C@H](O)CNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339044486 297316438 /nfs/dbraw/zinc/31/64/38/297316438.db2.gz TWYRXGGTBORVPT-SNVBAGLBSA-N 0 0 334.398 0.887 20 5 ECBDRN CCn1cc(S(=O)(=O)N(C)C(C)(C)C(=O)OC)c([N+](=O)[O-])n1 ZINC000339049367 297316633 /nfs/dbraw/zinc/31/66/33/297316633.db2.gz QHAVVQAKEOFILP-UHFFFAOYSA-N 0 0 334.354 0.383 20 5 ECBDRN 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