smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412049660 303957661 /nfs/dbraw/zinc/95/76/61/303957661.db2.gz RSSNGMFQLFHQLM-JKSUJKDBSA-N 1 1 347.415 1.613 20 5 EDBDMO CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000181906419 529961116 /nfs/dbraw/zinc/96/11/16/529961116.db2.gz DDZWXXWNGSTTTP-CABCVRRESA-N 1 1 337.420 1.608 20 5 EDBDMO CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000181906419 529961117 /nfs/dbraw/zinc/96/11/17/529961117.db2.gz DDZWXXWNGSTTTP-CABCVRRESA-N 1 1 337.420 1.608 20 5 EDBDMO CN1CCC[C@@H](C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181906419 529961118 /nfs/dbraw/zinc/96/11/18/529961118.db2.gz DDZWXXWNGSTTTP-CABCVRRESA-N 1 1 337.420 1.608 20 5 EDBDMO CN1CCC[C@@H](C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181906419 529961119 /nfs/dbraw/zinc/96/11/19/529961119.db2.gz DDZWXXWNGSTTTP-CABCVRRESA-N 1 1 337.420 1.608 20 5 EDBDMO CCOc1cc(C(=O)N[C@@H]2CC[N@@H+](CC)C2)c([N+](=O)[O-])cc1OC ZINC000412853309 304042182 /nfs/dbraw/zinc/04/21/82/304042182.db2.gz SZUNLSVLMAALHC-LLVKDONJSA-N 1 1 337.376 1.826 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000272386037 283078289 /nfs/dbraw/zinc/07/82/89/283078289.db2.gz ILDIERQRTYGDLO-MFKMUULPSA-N 1 1 343.380 1.449 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000272386037 283078292 /nfs/dbraw/zinc/07/82/92/283078292.db2.gz ILDIERQRTYGDLO-MFKMUULPSA-N 1 1 343.380 1.449 20 5 EDBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000074107704 138224837 /nfs/dbraw/zinc/22/48/37/138224837.db2.gz YMQPONKHKRWQAE-ZDUSSCGKSA-N 1 1 336.392 1.234 20 5 EDBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+](C)C1 ZINC000413500983 304064032 /nfs/dbraw/zinc/06/40/32/304064032.db2.gz OZPUGUDUDYMFHC-GFCCVEGCSA-N 1 1 344.371 1.684 20 5 EDBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000186933510 236069167 /nfs/dbraw/zinc/06/91/67/236069167.db2.gz LDOVKMGVMVJVKU-LLVKDONJSA-N 1 1 339.367 1.651 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000186933510 236069169 /nfs/dbraw/zinc/06/91/69/236069169.db2.gz LDOVKMGVMVJVKU-LLVKDONJSA-N 1 1 339.367 1.651 20 5 EDBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000565646050 306388795 /nfs/dbraw/zinc/38/87/95/306388795.db2.gz MAJQLBIQTWFDCY-JTQLQIEISA-N 1 1 340.405 1.138 20 5 EDBDMO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000072722397 203243936 /nfs/dbraw/zinc/24/39/36/203243936.db2.gz OEYYSCDGVFBOLM-UHFFFAOYSA-N 1 1 332.404 1.728 20 5 EDBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000103284722 204071973 /nfs/dbraw/zinc/07/19/73/204071973.db2.gz MTWYCKPLTXYKFY-QWRGUYRKSA-N 1 1 335.360 1.547 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1n1ccnc1 ZINC000129487919 205198989 /nfs/dbraw/zinc/19/89/89/205198989.db2.gz WUDODYDOEHJYLK-HIFRSBDPSA-N 1 1 331.376 1.536 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000133951830 205385397 /nfs/dbraw/zinc/38/53/97/205385397.db2.gz DFBUAOVJJJTABQ-CYBMUJFWSA-N 1 1 348.403 1.642 20 5 EDBDMO Cc1c(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000245422888 139073618 /nfs/dbraw/zinc/07/36/18/139073618.db2.gz AOTXPBOWGINKRB-NEPJUHHUSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1c(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000245422888 139073619 /nfs/dbraw/zinc/07/36/19/139073619.db2.gz AOTXPBOWGINKRB-NEPJUHHUSA-N 1 1 336.392 1.822 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1CCOCC1 ZINC000156036877 206051102 /nfs/dbraw/zinc/05/11/02/206051102.db2.gz AIJOIAKNXJJMDP-UHFFFAOYSA-N 1 1 337.376 1.900 20 5 EDBDMO O=c1c([N+](=O)[O-])cc(Br)cn1CCC[NH+]1CCOCC1 ZINC000158237250 206180802 /nfs/dbraw/zinc/18/08/02/206180802.db2.gz RLPBFOWPLSQKIY-UHFFFAOYSA-N 1 1 346.181 1.241 20 5 EDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CCN1C(=O)c2ccccc2C1=O ZINC000158947367 206218445 /nfs/dbraw/zinc/21/84/45/206218445.db2.gz ANFGNGJAQWTBFA-UHFFFAOYSA-N 1 1 343.343 1.019 20 5 EDBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247474152 139149729 /nfs/dbraw/zinc/14/97/29/139149729.db2.gz RYYUQTPEMRGFQY-KBMXLJTQSA-N 1 1 335.404 1.503 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248185172 139159381 /nfs/dbraw/zinc/15/93/81/139159381.db2.gz XEXIZMDLJAJVFM-XJKSGUPXSA-N 1 1 333.388 1.916 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249395373 139192530 /nfs/dbraw/zinc/19/25/30/139192530.db2.gz APEDWULJCZVFRY-KGLIPLIRSA-N 1 1 335.404 1.441 20 5 EDBDMO CO[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1C ZINC000251990692 139203520 /nfs/dbraw/zinc/20/35/20/139203520.db2.gz VYDDIXBJJGHFML-MLGOLLRUSA-N 1 1 333.388 1.841 20 5 EDBDMO CO[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1C ZINC000251990692 139203521 /nfs/dbraw/zinc/20/35/21/139203521.db2.gz VYDDIXBJJGHFML-MLGOLLRUSA-N 1 1 333.388 1.841 20 5 EDBDMO O=C(NC[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000262278407 139266093 /nfs/dbraw/zinc/26/60/93/139266093.db2.gz UGVHXPOVMYBQOW-HOCLYGCPSA-N 1 1 346.431 1.675 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176249638 207207153 /nfs/dbraw/zinc/20/71/53/207207153.db2.gz LDJJVDDFNNIKFE-HNNXBMFYSA-N 1 1 329.404 1.998 20 5 EDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000569926357 306525397 /nfs/dbraw/zinc/52/53/97/306525397.db2.gz CJBDMALRIZHYAC-INIZCTEOSA-N 1 1 347.350 1.554 20 5 EDBDMO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488737095 255051434 /nfs/dbraw/zinc/05/14/34/255051434.db2.gz WJSHCSRDPBBJJZ-NXEZZACHSA-N 1 1 327.768 1.889 20 5 EDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488737095 255051436 /nfs/dbraw/zinc/05/14/36/255051436.db2.gz WJSHCSRDPBBJJZ-NXEZZACHSA-N 1 1 327.768 1.889 20 5 EDBDMO CC(C)[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000488014225 255041167 /nfs/dbraw/zinc/04/11/67/255041167.db2.gz YIGPHWCDALBZJX-NVXWUHKLSA-N 1 1 337.420 1.607 20 5 EDBDMO CC(C)[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000488014225 255041168 /nfs/dbraw/zinc/04/11/68/255041168.db2.gz YIGPHWCDALBZJX-NVXWUHKLSA-N 1 1 337.420 1.607 20 5 EDBDMO CC(C)[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000488014225 255041170 /nfs/dbraw/zinc/04/11/70/255041170.db2.gz YIGPHWCDALBZJX-NVXWUHKLSA-N 1 1 337.420 1.607 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492592938 255181761 /nfs/dbraw/zinc/18/17/61/255181761.db2.gz JHWZOMPSCFKYRV-GQCTYLIASA-N 1 1 325.340 1.178 20 5 EDBDMO C[C@H]1[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000494037636 255233156 /nfs/dbraw/zinc/23/31/56/255233156.db2.gz KNCNYJNZXFEWTK-GXTWGEPZSA-N 1 1 343.387 1.721 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[NH2+]C[C@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000415788251 304271193 /nfs/dbraw/zinc/27/11/93/304271193.db2.gz RMPVOBAJBPGASP-HNNXBMFYSA-N 1 1 338.339 1.002 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000174178852 533212651 /nfs/dbraw/zinc/21/26/51/533212651.db2.gz OEPMJYIEGMFFRQ-ZDUSSCGKSA-N 1 1 349.387 1.398 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000264562607 139415614 /nfs/dbraw/zinc/41/56/14/139415614.db2.gz QWRXLDKNYBJCHI-LLVKDONJSA-N 1 1 327.768 1.699 20 5 EDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000347363543 533407032 /nfs/dbraw/zinc/40/70/32/533407032.db2.gz RSFCRXXWOMRDCS-SPQRHKFCSA-N 1 1 349.431 1.623 20 5 EDBDMO COCC1(O)CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000270331588 140080521 /nfs/dbraw/zinc/08/05/21/140080521.db2.gz BUZDNWZPURKWCN-UHFFFAOYSA-N 1 1 338.360 1.435 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000270523839 140117002 /nfs/dbraw/zinc/11/70/02/140117002.db2.gz MZCICDHTUWURTA-UHFFFAOYSA-N 1 1 348.359 1.168 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000271357009 140284395 /nfs/dbraw/zinc/28/43/95/140284395.db2.gz FSQPNBKUJRSHMB-TZMCWYRMSA-N 1 1 343.387 1.721 20 5 EDBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000271687070 140333822 /nfs/dbraw/zinc/33/38/22/140333822.db2.gz DNXVLKPAHVQUSY-SNVBAGLBSA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000271687070 140333823 /nfs/dbraw/zinc/33/38/23/140333823.db2.gz DNXVLKPAHVQUSY-SNVBAGLBSA-N 1 1 347.824 1.929 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000271783279 140349471 /nfs/dbraw/zinc/34/94/71/140349471.db2.gz SOSIMOWARVQRTH-GFCCVEGCSA-N 1 1 339.367 1.803 20 5 EDBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000331590642 141053103 /nfs/dbraw/zinc/05/31/03/141053103.db2.gz BDSRGQSTBSOIDH-HIFRSBDPSA-N 1 1 347.415 1.967 20 5 EDBDMO C[C@@H]1CC[S@@](=O)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000332023122 141111884 /nfs/dbraw/zinc/11/18/84/141111884.db2.gz RETJYBIESVRXFU-SFDCACGMSA-N 1 1 339.417 1.766 20 5 EDBDMO C[C@@H]1CC[S@@](=O)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000332023122 141111885 /nfs/dbraw/zinc/11/18/85/141111885.db2.gz RETJYBIESVRXFU-SFDCACGMSA-N 1 1 339.417 1.766 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)C1 ZINC000332293838 141157573 /nfs/dbraw/zinc/15/75/73/141157573.db2.gz ZRFYNJBRBMZDAC-NEPJUHHUSA-N 1 1 346.387 1.603 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)C1 ZINC000332293838 141157574 /nfs/dbraw/zinc/15/75/74/141157574.db2.gz ZRFYNJBRBMZDAC-NEPJUHHUSA-N 1 1 346.387 1.603 20 5 EDBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332678845 141227911 /nfs/dbraw/zinc/22/79/11/141227911.db2.gz UEEMUSWNUOMBSC-SNVBAGLBSA-N 1 1 325.315 1.722 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000332680262 141228162 /nfs/dbraw/zinc/22/81/62/141228162.db2.gz SDKNNAJETXHXAI-CHWSQXEVSA-N 1 1 343.387 1.993 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000339328870 142017460 /nfs/dbraw/zinc/01/74/60/142017460.db2.gz SZLYAWDGNCLDOU-SCRDCRAPSA-N 1 1 340.376 1.452 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000339328870 142017462 /nfs/dbraw/zinc/01/74/62/142017462.db2.gz SZLYAWDGNCLDOU-SCRDCRAPSA-N 1 1 340.376 1.452 20 5 EDBDMO CO[C@@H]1C[C@H](CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000345146101 143057269 /nfs/dbraw/zinc/05/72/69/143057269.db2.gz OGHYIOSTAXWRRI-CHWSQXEVSA-N 1 1 336.392 1.184 20 5 EDBDMO CN1C(=O)N[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000345675302 143120099 /nfs/dbraw/zinc/12/00/99/143120099.db2.gz MFRVYGNHIWVNGS-CHWSQXEVSA-N 1 1 347.375 1.021 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C(N)=O ZINC000346639509 143225068 /nfs/dbraw/zinc/22/50/68/143225068.db2.gz DMQTZYSNNVTCDI-HZMBPMFUSA-N 1 1 330.344 1.803 20 5 EDBDMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347412973 143318257 /nfs/dbraw/zinc/31/82/57/143318257.db2.gz KNLLJXZIOSJBDV-LBPRGKRZSA-N 1 1 330.392 1.586 20 5 EDBDMO CCNc1ccc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000347776002 143361843 /nfs/dbraw/zinc/36/18/43/143361843.db2.gz QFXFRCIJYQKXOL-HOTGVXAUSA-N 1 1 348.403 1.572 20 5 EDBDMO O=C(NCC1([NH+]2CCOCC2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000369689882 155136084 /nfs/dbraw/zinc/13/60/84/155136084.db2.gz OAVRQNYBEMRWSK-UHFFFAOYSA-N 1 1 333.388 1.970 20 5 EDBDMO Cc1ccc(N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000365812232 292130076 /nfs/dbraw/zinc/13/00/76/292130076.db2.gz DOEVFWXMWOAWSJ-OAHLLOKOSA-N 1 1 346.431 1.894 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000369692463 155136970 /nfs/dbraw/zinc/13/69/70/155136970.db2.gz NGCKDYQGMNEJCW-GFCCVEGCSA-N 1 1 346.391 1.327 20 5 EDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[C@H]1O ZINC000352658161 149105090 /nfs/dbraw/zinc/10/50/90/149105090.db2.gz DFCRZJZUDVOJCX-GXTWGEPZSA-N 1 1 335.360 1.738 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000354921761 150033259 /nfs/dbraw/zinc/03/32/59/150033259.db2.gz AJIFMDRWMOXKHC-BXUZGUMPSA-N 1 1 338.360 1.349 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000355750865 150385199 /nfs/dbraw/zinc/38/51/99/150385199.db2.gz JREUHIOSXRJPMZ-INIZCTEOSA-N 1 1 331.376 1.377 20 5 EDBDMO CC1=CC[N@H+](CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000357950720 151208051 /nfs/dbraw/zinc/20/80/51/151208051.db2.gz KSZQXANWBPSWRW-UHFFFAOYSA-N 1 1 339.417 1.666 20 5 EDBDMO CC1=CC[N@@H+](CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000357950720 151208054 /nfs/dbraw/zinc/20/80/54/151208054.db2.gz KSZQXANWBPSWRW-UHFFFAOYSA-N 1 1 339.417 1.666 20 5 EDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000358061527 151252809 /nfs/dbraw/zinc/25/28/09/151252809.db2.gz GRVAWQFKTOSPAE-CYBMUJFWSA-N 1 1 347.293 1.410 20 5 EDBDMO COc1cc(OCC(=O)NCC[N@@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000358080935 151263705 /nfs/dbraw/zinc/26/37/05/151263705.db2.gz QNWPDBVCRQBMHT-UHFFFAOYSA-N 1 1 349.387 1.750 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000370079629 155314747 /nfs/dbraw/zinc/31/47/47/155314747.db2.gz FPENMLCAZSYTFV-IOASZLSFSA-N 1 1 332.404 1.948 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000360467661 152057021 /nfs/dbraw/zinc/05/70/21/152057021.db2.gz GCRBTVXMXGYYNA-OLZOCXBDSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000360528289 152082045 /nfs/dbraw/zinc/08/20/45/152082045.db2.gz MQJCKNMJGFHIPR-CYBMUJFWSA-N 1 1 348.403 1.186 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000360655642 152141069 /nfs/dbraw/zinc/14/10/69/152141069.db2.gz ZBALNCNFANLWKN-NWDGAFQWSA-N 1 1 327.406 1.664 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360663627 152145165 /nfs/dbraw/zinc/14/51/65/152145165.db2.gz DUHMPHZNLZTUNZ-QWRGUYRKSA-N 1 1 343.405 1.364 20 5 EDBDMO Cc1c([C@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000360847047 152228226 /nfs/dbraw/zinc/22/82/26/152228226.db2.gz GPJSSPLHTOOWKF-UKRRQHHQSA-N 1 1 334.380 1.031 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000364861252 153353478 /nfs/dbraw/zinc/35/34/78/153353478.db2.gz ZAFHQOIBXWQWGM-LSDHHAIUSA-N 1 1 339.417 1.842 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367264461 154059699 /nfs/dbraw/zinc/05/96/99/154059699.db2.gz MWEDIPCHYCGSBT-CYBMUJFWSA-N 1 1 349.387 1.601 20 5 EDBDMO COc1cc(C[N@@H+]2CCC[C@H]2Cn2cncn2)c([N+](=O)[O-])cc1OC ZINC000369390011 155009059 /nfs/dbraw/zinc/00/90/59/155009059.db2.gz VRGJGMCCKMUXJP-ZDUSSCGKSA-N 1 1 347.375 1.868 20 5 EDBDMO COc1cc(C[N@H+]2CCC[C@H]2Cn2cncn2)c([N+](=O)[O-])cc1OC ZINC000369390011 155009063 /nfs/dbraw/zinc/00/90/63/155009063.db2.gz VRGJGMCCKMUXJP-ZDUSSCGKSA-N 1 1 347.375 1.868 20 5 EDBDMO CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000369500441 155061110 /nfs/dbraw/zinc/06/11/10/155061110.db2.gz LSAHGPUDDKHZBF-NSHDSACASA-N 1 1 329.360 1.708 20 5 EDBDMO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000371667587 156054432 /nfs/dbraw/zinc/05/44/32/156054432.db2.gz HJPYAVYQEQDOOQ-IKGGRYGDSA-N 1 1 347.415 1.213 20 5 EDBDMO Cc1nc(N2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000371937194 156174563 /nfs/dbraw/zinc/17/45/63/156174563.db2.gz MQYYARPWZRQAIG-HIFRSBDPSA-N 1 1 349.435 1.139 20 5 EDBDMO Cc1nc(N2CC[N@H+](C[C@@H]3CN(C)CCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000371937194 156174565 /nfs/dbraw/zinc/17/45/65/156174565.db2.gz MQYYARPWZRQAIG-HIFRSBDPSA-N 1 1 349.435 1.139 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000374051098 157123768 /nfs/dbraw/zinc/12/37/68/157123768.db2.gz OTTKEBGFTSWNHY-GFCCVEGCSA-N 1 1 337.376 1.636 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000374051098 157123771 /nfs/dbraw/zinc/12/37/71/157123771.db2.gz OTTKEBGFTSWNHY-GFCCVEGCSA-N 1 1 337.376 1.636 20 5 EDBDMO CN(C)c1noc([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000374548999 157325370 /nfs/dbraw/zinc/32/53/70/157325370.db2.gz CVVKDPFXVMQNLB-LLVKDONJSA-N 1 1 335.368 1.120 20 5 EDBDMO COC(=O)[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000377986144 158048313 /nfs/dbraw/zinc/04/83/13/158048313.db2.gz DFDHINFWDBTHNN-AWEZNQCLSA-N 1 1 349.387 1.689 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000377986144 158048314 /nfs/dbraw/zinc/04/83/14/158048314.db2.gz DFDHINFWDBTHNN-AWEZNQCLSA-N 1 1 349.387 1.689 20 5 EDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@H](C)O ZINC000352203391 162048972 /nfs/dbraw/zinc/04/89/72/162048972.db2.gz RJXAOGFHZCTFLD-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO CCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000352491311 162209748 /nfs/dbraw/zinc/20/97/48/162209748.db2.gz PUJJMYWBDCHVGQ-OAHLLOKOSA-N 1 1 341.433 1.889 20 5 EDBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000364324360 162325017 /nfs/dbraw/zinc/32/50/17/162325017.db2.gz MMGMZRBEOZBTGU-LLVKDONJSA-N 1 1 335.324 1.233 20 5 EDBDMO CNC(=O)c1ccc(N(C)CCCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000120240969 287359531 /nfs/dbraw/zinc/35/95/31/287359531.db2.gz PHYRVBGWHBTLFI-UHFFFAOYSA-N 1 1 331.376 1.986 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000123499472 222288291 /nfs/dbraw/zinc/28/82/91/222288291.db2.gz XTKGEKDGKBITHS-NSHDSACASA-N 1 1 347.462 1.975 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000273487947 268050823 /nfs/dbraw/zinc/05/08/23/268050823.db2.gz WCSAOQONNPMKFH-CYBMUJFWSA-N 1 1 341.433 1.664 20 5 EDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000275351128 268327958 /nfs/dbraw/zinc/32/79/58/268327958.db2.gz UCHOAXUKYNFRSI-NSHDSACASA-N 1 1 336.373 1.332 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000275394695 268336461 /nfs/dbraw/zinc/33/64/61/268336461.db2.gz ROPSFIGDXFXHPZ-GFCCVEGCSA-N 1 1 330.344 1.549 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-] ZINC000278915107 273271020 /nfs/dbraw/zinc/27/10/20/273271020.db2.gz QVQLVMWHPOYKIK-PXAZEXFGSA-N 1 1 346.387 1.442 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-] ZINC000278915107 273271021 /nfs/dbraw/zinc/27/10/21/273271021.db2.gz QVQLVMWHPOYKIK-PXAZEXFGSA-N 1 1 346.387 1.442 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000284703966 274300669 /nfs/dbraw/zinc/30/06/69/274300669.db2.gz SVCIDBLYSFPQBX-GJZGRUSLSA-N 1 1 336.348 1.408 20 5 EDBDMO COc1cc(CN(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000284751876 274318304 /nfs/dbraw/zinc/31/83/04/274318304.db2.gz FXBGXXIABVNZMS-STQMWFEESA-N 1 1 341.383 1.893 20 5 EDBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1Cc1ccccc1 ZINC000284938213 274394415 /nfs/dbraw/zinc/39/44/15/274394415.db2.gz YPANYOFIFZIIOW-MRXNPFEDSA-N 1 1 329.404 1.650 20 5 EDBDMO CN1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1Cc1ccccc1 ZINC000284938213 274394416 /nfs/dbraw/zinc/39/44/16/274394416.db2.gz YPANYOFIFZIIOW-MRXNPFEDSA-N 1 1 329.404 1.650 20 5 EDBDMO CN1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1Cc1ccccc1 ZINC000284938213 274394418 /nfs/dbraw/zinc/39/44/18/274394418.db2.gz YPANYOFIFZIIOW-MRXNPFEDSA-N 1 1 329.404 1.650 20 5 EDBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCN(c3[nH]cc[nH+]3)CC2)s1 ZINC000340914231 275034099 /nfs/dbraw/zinc/03/40/99/275034099.db2.gz WGCFZHLTAIHTLN-UHFFFAOYSA-N 1 1 331.361 1.649 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c(Br)c1 ZINC000371808961 275036683 /nfs/dbraw/zinc/03/66/83/275036683.db2.gz MBVFPXCSDLIAHO-NSHDSACASA-N 1 1 342.193 1.878 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c(Br)c1 ZINC000371808961 275036684 /nfs/dbraw/zinc/03/66/84/275036684.db2.gz MBVFPXCSDLIAHO-NSHDSACASA-N 1 1 342.193 1.878 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000102184157 276130680 /nfs/dbraw/zinc/13/06/80/276130680.db2.gz OPVMYZHREOYZEA-UHFFFAOYSA-N 1 1 327.406 1.499 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CN(C)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272949267 276170166 /nfs/dbraw/zinc/17/01/66/276170166.db2.gz XDRFOPMPKFTOMV-GFCCVEGCSA-N 1 1 342.421 1.163 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000332348354 277179536 /nfs/dbraw/zinc/17/95/36/277179536.db2.gz YWABBUVAGRXVTE-CHWSQXEVSA-N 1 1 339.779 1.793 20 5 EDBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000286381853 287992732 /nfs/dbraw/zinc/99/27/32/287992732.db2.gz OJUDWKPWAAHHNO-AAEUAGOBSA-N 1 1 331.376 1.771 20 5 EDBDMO O=C(C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000287197373 288178579 /nfs/dbraw/zinc/17/85/79/288178579.db2.gz DICJIIDRZPFJBH-CYBMUJFWSA-N 1 1 346.387 1.478 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000287197373 288178581 /nfs/dbraw/zinc/17/85/81/288178581.db2.gz DICJIIDRZPFJBH-CYBMUJFWSA-N 1 1 346.387 1.478 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287387494 288226459 /nfs/dbraw/zinc/22/64/59/288226459.db2.gz INRUBMODZXAGCX-GXTWGEPZSA-N 1 1 343.387 1.958 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C2)C1 ZINC000292337430 289319743 /nfs/dbraw/zinc/31/97/43/289319743.db2.gz PVRNCUQMIXRZGG-MRXNPFEDSA-N 1 1 329.360 1.776 20 5 EDBDMO C[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+](C2CC2)C1 ZINC000295482092 303225065 /nfs/dbraw/zinc/22/50/65/303225065.db2.gz ZDAGFIMUYFYASF-LLVKDONJSA-N 1 1 347.371 1.880 20 5 EDBDMO Cc1cc(F)c(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000295887054 303279926 /nfs/dbraw/zinc/27/99/26/303279926.db2.gz BDSRHBOINQMOIA-UHFFFAOYSA-N 1 1 338.339 1.191 20 5 EDBDMO Cn1ccnc1C(=O)c1ccc(N2CC([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000302004264 303707350 /nfs/dbraw/zinc/70/73/50/303707350.db2.gz KDSHSPJAUAPMEZ-UHFFFAOYSA-N 1 1 329.360 1.310 20 5 EDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000423611008 304901165 /nfs/dbraw/zinc/90/11/65/304901165.db2.gz MKZUBAFAYGHKML-LLVKDONJSA-N 1 1 335.751 1.758 20 5 EDBDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000428773481 305017212 /nfs/dbraw/zinc/01/72/12/305017212.db2.gz RILNBZRLSXWOGE-QGZVFWFLSA-N 1 1 344.371 1.608 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2nn[nH]c2C1 ZINC000429303172 305028310 /nfs/dbraw/zinc/02/83/10/305028310.db2.gz BACKEHXTYASYCM-UHFFFAOYSA-N 1 1 346.347 1.108 20 5 EDBDMO C[N@H+](CCCNC(=O)C1CCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429537941 305031690 /nfs/dbraw/zinc/03/16/90/305031690.db2.gz ODKVUMSXZQKKTD-UHFFFAOYSA-N 1 1 348.403 1.432 20 5 EDBDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429537941 305031691 /nfs/dbraw/zinc/03/16/91/305031691.db2.gz ODKVUMSXZQKKTD-UHFFFAOYSA-N 1 1 348.403 1.432 20 5 EDBDMO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429776634 305036855 /nfs/dbraw/zinc/03/68/55/305036855.db2.gz SYSWEAKUJQBUIS-OLZOCXBDSA-N 1 1 345.359 1.649 20 5 EDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000430277993 305049375 /nfs/dbraw/zinc/04/93/75/305049375.db2.gz HDAXUBILURSVKC-INIZCTEOSA-N 1 1 335.360 1.419 20 5 EDBDMO [NH3+]C1CCN(CCCC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000433146548 305101800 /nfs/dbraw/zinc/10/18/00/305101800.db2.gz LVVBXWFHOPPPKU-UHFFFAOYSA-N 1 1 349.435 1.326 20 5 EDBDMO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000444365929 305247201 /nfs/dbraw/zinc/24/72/01/305247201.db2.gz PAQUJEPDNKHZKW-NSHDSACASA-N 1 1 339.367 1.651 20 5 EDBDMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448917610 305304100 /nfs/dbraw/zinc/30/41/00/305304100.db2.gz LAUJFLHXNYLENX-AWEZNQCLSA-N 1 1 343.387 1.995 20 5 EDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1 ZINC000451301658 305337468 /nfs/dbraw/zinc/33/74/68/305337468.db2.gz OCAXKCNAHDKEOJ-LXZKKBNFSA-N 1 1 336.388 1.835 20 5 EDBDMO COc1c(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000456250112 447350586 /nfs/dbraw/zinc/35/05/86/447350586.db2.gz RWPMAERXWFWSRW-TXEJJXNPSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1c(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000456250112 447350593 /nfs/dbraw/zinc/35/05/93/447350593.db2.gz RWPMAERXWFWSRW-TXEJJXNPSA-N 1 1 337.376 1.131 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n1C ZINC000524410870 305815912 /nfs/dbraw/zinc/81/59/12/305815912.db2.gz HOWIPWWFBFPOLT-UHFFFAOYSA-N 1 1 347.331 1.053 20 5 EDBDMO CC(C)Cn1ccnc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000542793089 306058438 /nfs/dbraw/zinc/05/84/38/306058438.db2.gz HJTRZZKYSPVWNQ-UHFFFAOYSA-N 1 1 339.377 1.321 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000552041338 306174326 /nfs/dbraw/zinc/17/43/26/306174326.db2.gz VIIMEPUKSRUTHM-UHFFFAOYSA-N 1 1 328.372 1.890 20 5 EDBDMO C[NH+](C)C1(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCCC1 ZINC000555903261 306207286 /nfs/dbraw/zinc/20/72/86/306207286.db2.gz HAJXSBIHZMBTSC-OAHLLOKOSA-N 1 1 339.440 1.396 20 5 EDBDMO C[C@H](NC(=O)N1CC[N@H+](CCO)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000458626667 447431053 /nfs/dbraw/zinc/43/10/53/447431053.db2.gz VBOVDNXEIXBBKM-STQMWFEESA-N 1 1 336.392 1.364 20 5 EDBDMO C[C@H](NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000458626667 447431057 /nfs/dbraw/zinc/43/10/57/447431057.db2.gz VBOVDNXEIXBBKM-STQMWFEESA-N 1 1 336.392 1.364 20 5 EDBDMO CC(C)[NH+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000045427710 440983200 /nfs/dbraw/zinc/98/32/00/440983200.db2.gz NKFOJNCJTBXUFQ-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046598334 441115424 /nfs/dbraw/zinc/11/54/24/441115424.db2.gz KWUWGDFERWTUEY-UHFFFAOYSA-N 1 1 348.447 1.971 20 5 EDBDMO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046598334 441115427 /nfs/dbraw/zinc/11/54/27/441115427.db2.gz KWUWGDFERWTUEY-UHFFFAOYSA-N 1 1 348.447 1.971 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000080154207 441145795 /nfs/dbraw/zinc/14/57/95/441145795.db2.gz XKAQZZPGPXEBBC-LLVKDONJSA-N 1 1 342.421 1.386 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000102183679 441166196 /nfs/dbraw/zinc/16/61/96/441166196.db2.gz UECPKXBSTBNHHX-UHFFFAOYSA-N 1 1 327.406 1.666 20 5 EDBDMO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000047270861 441172187 /nfs/dbraw/zinc/17/21/87/441172187.db2.gz CEAYOBHFPIPWRU-ZDUSSCGKSA-N 1 1 335.408 1.600 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000084137691 441384559 /nfs/dbraw/zinc/38/45/59/441384559.db2.gz LRKLGFLMNATHMR-LBPRGKRZSA-N 1 1 336.314 1.817 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])n1C ZINC000083735541 441372467 /nfs/dbraw/zinc/37/24/67/441372467.db2.gz WCQQLIHOFXJCLZ-UHFFFAOYSA-N 1 1 346.391 1.436 20 5 EDBDMO CNC(=O)C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000052328776 441447374 /nfs/dbraw/zinc/44/73/74/441447374.db2.gz PUJCUNAAUUSSTL-UHFFFAOYSA-N 1 1 345.359 1.603 20 5 EDBDMO CCOC(=O)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000027342760 441400921 /nfs/dbraw/zinc/40/09/21/441400921.db2.gz SYZKTDWLENDEFE-UHFFFAOYSA-N 1 1 335.360 1.469 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000108406159 441450801 /nfs/dbraw/zinc/45/08/01/441450801.db2.gz VQHGQEIPADGPDA-JTQLQIEISA-N 1 1 347.824 1.868 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000089265701 441533276 /nfs/dbraw/zinc/53/32/76/441533276.db2.gz GGAYTAHYQVMUNN-LLVKDONJSA-N 1 1 325.340 1.808 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000089265701 441533277 /nfs/dbraw/zinc/53/32/77/441533277.db2.gz GGAYTAHYQVMUNN-LLVKDONJSA-N 1 1 325.340 1.808 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000075718546 441551264 /nfs/dbraw/zinc/55/12/64/441551264.db2.gz CMTIGEVTALJAEK-JSGCOSHPSA-N 1 1 334.351 1.781 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000066579408 441547444 /nfs/dbraw/zinc/54/74/44/441547444.db2.gz CHOLAEDZCZAWHJ-UHFFFAOYSA-N 1 1 341.433 1.928 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000066579408 441547448 /nfs/dbraw/zinc/54/74/48/441547448.db2.gz CHOLAEDZCZAWHJ-UHFFFAOYSA-N 1 1 341.433 1.928 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067151961 441611494 /nfs/dbraw/zinc/61/14/94/441611494.db2.gz BPEPLSKTZSWHAQ-LBPRGKRZSA-N 1 1 346.391 1.636 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000090551812 441633392 /nfs/dbraw/zinc/63/33/92/441633392.db2.gz IRTDUIPLTSLHID-QGZVFWFLSA-N 1 1 343.383 1.738 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000090564491 441635913 /nfs/dbraw/zinc/63/59/13/441635913.db2.gz LWIAVHIHKHOTNT-PBHICJAKSA-N 1 1 346.431 1.705 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000090564491 441635928 /nfs/dbraw/zinc/63/59/28/441635928.db2.gz LWIAVHIHKHOTNT-PBHICJAKSA-N 1 1 346.431 1.705 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000090564491 441635930 /nfs/dbraw/zinc/63/59/30/441635930.db2.gz LWIAVHIHKHOTNT-PBHICJAKSA-N 1 1 346.431 1.705 20 5 EDBDMO COC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000067703514 441669745 /nfs/dbraw/zinc/66/97/45/441669745.db2.gz BNEIVOHPDDUKPS-GFCCVEGCSA-N 1 1 333.344 1.348 20 5 EDBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173411166 441739322 /nfs/dbraw/zinc/73/93/22/441739322.db2.gz ZIXXPIYIVOWYPA-LLVKDONJSA-N 1 1 331.369 1.449 20 5 EDBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173411166 441739330 /nfs/dbraw/zinc/73/93/30/441739330.db2.gz ZIXXPIYIVOWYPA-LLVKDONJSA-N 1 1 331.369 1.449 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000173410639 441739671 /nfs/dbraw/zinc/73/96/71/441739671.db2.gz NCBAHKURTSXTIR-GFCCVEGCSA-N 1 1 343.405 1.318 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000173410639 441739677 /nfs/dbraw/zinc/73/96/77/441739677.db2.gz NCBAHKURTSXTIR-GFCCVEGCSA-N 1 1 343.405 1.318 20 5 EDBDMO CC(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000042583111 441754732 /nfs/dbraw/zinc/75/47/32/441754732.db2.gz QBJREOCHXXUUMD-INIZCTEOSA-N 1 1 334.420 1.597 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173530591 441779545 /nfs/dbraw/zinc/77/95/45/441779545.db2.gz BGXPJSZVAJGMKM-CYBMUJFWSA-N 1 1 337.401 1.538 20 5 EDBDMO COc1cc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000078262967 441912423 /nfs/dbraw/zinc/91/24/23/441912423.db2.gz CKXIRDNMINHBPK-HNNXBMFYSA-N 1 1 334.420 1.820 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000069006805 441879104 /nfs/dbraw/zinc/87/91/04/441879104.db2.gz JZLSTKPYPPUFKF-GFCCVEGCSA-N 1 1 339.367 1.961 20 5 EDBDMO C[C@@H]1C[C@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123334209 441885195 /nfs/dbraw/zinc/88/51/95/441885195.db2.gz HCHKIESEWCFPQD-CZUORRHYSA-N 1 1 334.420 1.972 20 5 EDBDMO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000118130129 441890231 /nfs/dbraw/zinc/89/02/31/441890231.db2.gz NUGWQPNUNYXNRI-SNVBAGLBSA-N 1 1 334.376 1.441 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000146598816 441897690 /nfs/dbraw/zinc/89/76/90/441897690.db2.gz BUZVKKHYJCFQHU-CQSZACIVSA-N 1 1 339.417 1.762 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000150807784 441954631 /nfs/dbraw/zinc/95/46/31/441954631.db2.gz MMTDRMXEBJMEBA-UHFFFAOYSA-N 1 1 343.405 1.366 20 5 EDBDMO Cc1[nH+]ccn1CCCN(C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000120177471 442023051 /nfs/dbraw/zinc/02/30/51/442023051.db2.gz KWTVGQSEMQQQFM-UHFFFAOYSA-N 1 1 342.359 1.863 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000151603531 442090986 /nfs/dbraw/zinc/09/09/86/442090986.db2.gz SJKSGWNAKYOOBO-MRXNPFEDSA-N 1 1 332.404 1.646 20 5 EDBDMO CC1(C)COCC[N@@H+]1CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000170866354 442280345 /nfs/dbraw/zinc/28/03/45/442280345.db2.gz QWLRFKWGZHJPDU-VOTSOKGWSA-N 1 1 333.388 1.835 20 5 EDBDMO CC1(C)COCC[N@H+]1CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000170866354 442280346 /nfs/dbraw/zinc/28/03/46/442280346.db2.gz QWLRFKWGZHJPDU-VOTSOKGWSA-N 1 1 333.388 1.835 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1C ZINC000153441098 442282956 /nfs/dbraw/zinc/28/29/56/442282956.db2.gz CXXNJUMVRUNYNT-UHFFFAOYSA-N 1 1 327.406 1.538 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1C ZINC000153441098 442282960 /nfs/dbraw/zinc/28/29/60/442282960.db2.gz CXXNJUMVRUNYNT-UHFFFAOYSA-N 1 1 327.406 1.538 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000154521790 442344375 /nfs/dbraw/zinc/34/43/75/442344375.db2.gz BAPLLXHYPFMJMA-LSDHHAIUSA-N 1 1 349.435 1.741 20 5 EDBDMO Cc1ccc(CN2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000129364873 442312774 /nfs/dbraw/zinc/31/27/74/442312774.db2.gz DESVRDJEPOTGCM-UHFFFAOYSA-N 1 1 334.420 1.499 20 5 EDBDMO Cc1ccc(CN2CCC[N@H+](CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000129364873 442312776 /nfs/dbraw/zinc/31/27/76/442312776.db2.gz DESVRDJEPOTGCM-UHFFFAOYSA-N 1 1 334.420 1.499 20 5 EDBDMO CNC(=O)CCC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000154912491 442363527 /nfs/dbraw/zinc/36/35/27/442363527.db2.gz WEXSLFUBWOUALH-AWEZNQCLSA-N 1 1 334.376 1.158 20 5 EDBDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000173273925 442638779 /nfs/dbraw/zinc/63/87/79/442638779.db2.gz PIMXZOIHTNDJAJ-WDEREUQCSA-N 1 1 345.396 1.837 20 5 EDBDMO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000173282758 442641157 /nfs/dbraw/zinc/64/11/57/442641157.db2.gz SCVNXCXGPGPQNM-QGZVFWFLSA-N 1 1 346.431 1.837 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000193273670 442728611 /nfs/dbraw/zinc/72/86/11/442728611.db2.gz ZDHHOCKCKATIKT-RYUDHWBXSA-N 1 1 327.406 1.583 20 5 EDBDMO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000188698550 442790960 /nfs/dbraw/zinc/79/09/60/442790960.db2.gz MUPIMUOSUSXTSX-CQSZACIVSA-N 1 1 349.431 1.831 20 5 EDBDMO C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182773846 442822323 /nfs/dbraw/zinc/82/23/23/442822323.db2.gz HRODUXYJQJWINX-SECBINFHSA-N 1 1 340.767 1.255 20 5 EDBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000265590128 442836168 /nfs/dbraw/zinc/83/61/68/442836168.db2.gz XZXACNSKDJLJRD-WDEREUQCSA-N 1 1 328.800 1.925 20 5 EDBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@H+]1C[C@H](C)O ZINC000265590128 442836170 /nfs/dbraw/zinc/83/61/70/442836170.db2.gz XZXACNSKDJLJRD-WDEREUQCSA-N 1 1 328.800 1.925 20 5 EDBDMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000268259930 442921831 /nfs/dbraw/zinc/92/18/31/442921831.db2.gz RBLKLUACWQMFKO-GXFFZTMASA-N 1 1 342.421 1.383 20 5 EDBDMO COc1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc([N+](=O)[O-])c1OC ZINC000265905652 442965106 /nfs/dbraw/zinc/96/51/06/442965106.db2.gz RPNNZOLXJZMHIA-ZDUSSCGKSA-N 1 1 349.387 1.922 20 5 EDBDMO COc1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc([N+](=O)[O-])c1OC ZINC000265905652 442965108 /nfs/dbraw/zinc/96/51/08/442965108.db2.gz RPNNZOLXJZMHIA-ZDUSSCGKSA-N 1 1 349.387 1.922 20 5 EDBDMO COC(=O)C1(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000296789959 318725831 /nfs/dbraw/zinc/72/58/31/318725831.db2.gz SSRYFEMEDRDWSQ-UHFFFAOYSA-N 1 1 347.371 1.306 20 5 EDBDMO C[N@H+](Cc1ccc(Cl)s1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266498292 443147241 /nfs/dbraw/zinc/14/72/41/443147241.db2.gz WPTVBSPZIGZDIT-JTQLQIEISA-N 1 1 330.797 1.999 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185000521 443115245 /nfs/dbraw/zinc/11/52/45/443115245.db2.gz QEVHXFCXGQSANU-LBPRGKRZSA-N 1 1 341.383 1.922 20 5 EDBDMO Cc1[nH]nc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000266643534 443195243 /nfs/dbraw/zinc/19/52/43/443195243.db2.gz LZRSAUHVJZVNTR-UHFFFAOYSA-N 1 1 346.347 1.379 20 5 EDBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000191093485 443240330 /nfs/dbraw/zinc/24/03/30/443240330.db2.gz MHADLQRICCOWLS-UHFFFAOYSA-N 1 1 325.390 1.205 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000246158132 443273850 /nfs/dbraw/zinc/27/38/50/443273850.db2.gz LLIUOFVODCDTNQ-CHWSQXEVSA-N 1 1 341.433 1.864 20 5 EDBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272467082 443328818 /nfs/dbraw/zinc/32/88/18/443328818.db2.gz SPNUOJNQDIJERN-GWCFXTLKSA-N 1 1 343.380 1.449 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272467082 443328822 /nfs/dbraw/zinc/32/88/22/443328822.db2.gz SPNUOJNQDIJERN-GWCFXTLKSA-N 1 1 343.380 1.449 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000272493299 443338641 /nfs/dbraw/zinc/33/86/41/443338641.db2.gz NEASOYZIEYZUHJ-KGLIPLIRSA-N 1 1 335.408 1.351 20 5 EDBDMO O=C(C[N@H+]1CCCC[C@@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000264628837 443353826 /nfs/dbraw/zinc/35/38/26/443353826.db2.gz QSYMBSGVVHXKDQ-CQSZACIVSA-N 1 1 333.388 1.721 20 5 EDBDMO O=C(C[N@@H+]1CCCC[C@@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000264628837 443353828 /nfs/dbraw/zinc/35/38/28/443353828.db2.gz QSYMBSGVVHXKDQ-CQSZACIVSA-N 1 1 333.388 1.721 20 5 EDBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264680457 443371136 /nfs/dbraw/zinc/37/11/36/443371136.db2.gz ZSCBQBRQDHIFHY-LLVKDONJSA-N 1 1 347.371 1.580 20 5 EDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264680460 443371396 /nfs/dbraw/zinc/37/13/96/443371396.db2.gz ZSCBQBRQDHIFHY-NSHDSACASA-N 1 1 347.371 1.580 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000420423615 319616761 /nfs/dbraw/zinc/61/67/61/319616761.db2.gz NCDAIEDVJNTLEQ-BETUJISGSA-N 1 1 339.417 1.727 20 5 EDBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000264791151 443426946 /nfs/dbraw/zinc/42/69/46/443426946.db2.gz UOOIGGBEPUYYKS-MRXNPFEDSA-N 1 1 349.435 1.149 20 5 EDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278785098 443438341 /nfs/dbraw/zinc/43/83/41/443438341.db2.gz VYVMSZOYTMPJKV-LLVKDONJSA-N 1 1 346.391 1.564 20 5 EDBDMO CC[N@@H+](CCC(=O)OC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273029856 443523819 /nfs/dbraw/zinc/52/38/19/443523819.db2.gz MQJRIDVBAOLWBR-LBPRGKRZSA-N 1 1 326.349 1.220 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000274252685 443600692 /nfs/dbraw/zinc/60/06/92/443600692.db2.gz IKODYHGVMZRQNK-UHFFFAOYSA-N 1 1 346.387 1.528 20 5 EDBDMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000448791331 320160377 /nfs/dbraw/zinc/16/03/77/320160377.db2.gz FGHNXTDGXRFUPK-ZDUSSCGKSA-N 1 1 331.372 1.911 20 5 EDBDMO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449660301 320197126 /nfs/dbraw/zinc/19/71/26/320197126.db2.gz FWMRGEOMOKFHFJ-JTQLQIEISA-N 1 1 325.275 1.198 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000457092260 320319303 /nfs/dbraw/zinc/31/93/03/320319303.db2.gz WVQKGUIADSEIAE-HNNXBMFYSA-N 1 1 348.403 1.266 20 5 EDBDMO CC(C)[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000459306873 320345956 /nfs/dbraw/zinc/34/59/56/320345956.db2.gz QDKVVZZBDXPRCC-LBPRGKRZSA-N 1 1 334.376 1.746 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+](C)CCCCO)c([N+](=O)[O-])c1 ZINC000276426201 443702406 /nfs/dbraw/zinc/70/24/06/443702406.db2.gz RQRSSRHWVHVPHF-UHFFFAOYSA-N 1 1 325.365 1.636 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CCCCO)c([N+](=O)[O-])c1 ZINC000276426201 443702408 /nfs/dbraw/zinc/70/24/08/443702408.db2.gz RQRSSRHWVHVPHF-UHFFFAOYSA-N 1 1 325.365 1.636 20 5 EDBDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000298326479 443746939 /nfs/dbraw/zinc/74/69/39/443746939.db2.gz NNYMLNPUXAKMMG-INIZCTEOSA-N 1 1 326.393 1.829 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C(=O)N1CCOCC1 ZINC000284815200 443789294 /nfs/dbraw/zinc/78/92/94/443789294.db2.gz LFRBDBUJOVLRLD-DGCLKSJQSA-N 1 1 339.417 1.583 20 5 EDBDMO CN1CCO[C@@H]2CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284956984 443798212 /nfs/dbraw/zinc/79/82/12/443798212.db2.gz XEBZTTAQRTXZND-IAGOWNOFSA-N 1 1 335.404 1.769 20 5 EDBDMO O=c1[nH]c(N2CC[N@H+]3CCCC[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000280940482 443779538 /nfs/dbraw/zinc/77/95/38/443779538.db2.gz IKTCOMGKHXXSRX-GFCCVEGCSA-N 1 1 329.360 1.918 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000298488955 443781723 /nfs/dbraw/zinc/78/17/23/443781723.db2.gz JMWUHGDJLDTAMG-XHDPSFHLSA-N 1 1 337.376 1.635 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000284977229 443805604 /nfs/dbraw/zinc/80/56/04/443805604.db2.gz XGNBRJDLCGIEPY-QBPKDAKJSA-N 1 1 336.388 1.490 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000284977229 443805607 /nfs/dbraw/zinc/80/56/07/443805607.db2.gz XGNBRJDLCGIEPY-QBPKDAKJSA-N 1 1 336.388 1.490 20 5 EDBDMO COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298759742 443860830 /nfs/dbraw/zinc/86/08/30/443860830.db2.gz ZLBCCHMDDBJASN-WCQYABFASA-N 1 1 326.349 1.075 20 5 EDBDMO Cc1n[nH]c(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000288420119 443875513 /nfs/dbraw/zinc/87/55/13/443875513.db2.gz NUKMYZOWAPSWQQ-UHFFFAOYSA-N 1 1 329.360 1.583 20 5 EDBDMO Cc1[nH]nc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000288420119 443875516 /nfs/dbraw/zinc/87/55/16/443875516.db2.gz NUKMYZOWAPSWQQ-UHFFFAOYSA-N 1 1 329.360 1.583 20 5 EDBDMO Cc1[nH]nc(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000288420119 443875520 /nfs/dbraw/zinc/87/55/20/443875520.db2.gz NUKMYZOWAPSWQQ-UHFFFAOYSA-N 1 1 329.360 1.583 20 5 EDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COC1CCOCC1 ZINC000285455231 443991294 /nfs/dbraw/zinc/99/12/94/443991294.db2.gz YXMSXNPFWBKSJB-HNNXBMFYSA-N 1 1 338.404 1.626 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000281954840 444048192 /nfs/dbraw/zinc/04/81/92/444048192.db2.gz FUUBGDSVSQPSDF-UHFFFAOYSA-N 1 1 337.376 1.397 20 5 EDBDMO C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H](C)[N@@H+]1C ZINC000293477659 444028824 /nfs/dbraw/zinc/02/88/24/444028824.db2.gz RPTDRLLDGCQTPU-BETUJISGSA-N 1 1 332.404 1.508 20 5 EDBDMO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000563022299 321088843 /nfs/dbraw/zinc/08/88/43/321088843.db2.gz IAXDLYGCCWMHGR-BETUJISGSA-N 1 1 336.392 1.191 20 5 EDBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000285880777 444139521 /nfs/dbraw/zinc/13/95/21/444139521.db2.gz JKTYCDRPGCGLKX-GOEBONIOSA-N 1 1 335.404 1.769 20 5 EDBDMO Cc1nn(C)c(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000301212639 444154590 /nfs/dbraw/zinc/15/45/90/444154590.db2.gz XVNPSCUGKHAOMZ-CQSZACIVSA-N 1 1 336.440 1.243 20 5 EDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301299821 444162748 /nfs/dbraw/zinc/16/27/48/444162748.db2.gz QKZVMVLLPYESTE-LBPRGKRZSA-N 1 1 331.376 1.381 20 5 EDBDMO CC(C)NC(=O)c1ccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC000301625405 444182928 /nfs/dbraw/zinc/18/29/28/444182928.db2.gz APMCJBLWNNBPKT-CVEARBPZSA-N 1 1 348.403 1.252 20 5 EDBDMO COC(=O)Cc1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000296769252 444253383 /nfs/dbraw/zinc/25/33/83/444253383.db2.gz MKROOCDNCFKVOR-UHFFFAOYSA-N 1 1 345.359 1.360 20 5 EDBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296396749 444225889 /nfs/dbraw/zinc/22/58/89/444225889.db2.gz KGRJTDLMTPESHT-KGLIPLIRSA-N 1 1 349.435 1.591 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000304311834 444246109 /nfs/dbraw/zinc/24/61/09/444246109.db2.gz MFWTXZKTGMGKHU-GOEBONIOSA-N 1 1 331.376 1.339 20 5 EDBDMO CCc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])nn3C)CC[NH2+]2)cc1 ZINC000337681331 444349498 /nfs/dbraw/zinc/34/94/98/444349498.db2.gz ZUEFQIKGKWBIPS-AWEZNQCLSA-N 1 1 343.387 1.677 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000298113542 444419674 /nfs/dbraw/zinc/41/96/74/444419674.db2.gz MHONTXNRQCSLDK-UHFFFAOYSA-N 1 1 334.376 1.361 20 5 EDBDMO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000580067967 322004833 /nfs/dbraw/zinc/00/48/33/322004833.db2.gz QGONOQZABVVSOO-WCQYABFASA-N 1 1 341.433 1.918 20 5 EDBDMO COC(=O)COc1ccc(CN[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000342188503 444555009 /nfs/dbraw/zinc/55/50/09/444555009.db2.gz GTMGHYZPMAURJY-NSHDSACASA-N 1 1 325.365 1.186 20 5 EDBDMO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000338594555 444763582 /nfs/dbraw/zinc/76/35/82/444763582.db2.gz AEZVXGGIEIZIGX-GFCCVEGCSA-N 1 1 345.359 1.792 20 5 EDBDMO COCCN1C(=O)N[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000344623057 445092234 /nfs/dbraw/zinc/09/22/34/445092234.db2.gz SUFQPFQXOGXLEZ-ZFWWWQNUSA-N 1 1 334.376 1.209 20 5 EDBDMO COCCN1C(=O)N[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000344623057 445092236 /nfs/dbraw/zinc/09/22/36/445092236.db2.gz SUFQPFQXOGXLEZ-ZFWWWQNUSA-N 1 1 334.376 1.209 20 5 EDBDMO Cn1nccc1[C@@H]1[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC[N@H+]1C ZINC000343355167 445208356 /nfs/dbraw/zinc/20/83/56/445208356.db2.gz RBMDTHFUUQHTSZ-NHYWBVRUSA-N 1 1 346.391 1.469 20 5 EDBDMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CC2)CC1 ZINC000343377439 445212556 /nfs/dbraw/zinc/21/25/56/445212556.db2.gz ALZLDYBAWZFOJN-UHFFFAOYSA-N 1 1 346.387 1.021 20 5 EDBDMO Cc1sc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000343471361 445229083 /nfs/dbraw/zinc/22/90/83/445229083.db2.gz TYAJTAYIKFEMME-KOLCDFICSA-N 1 1 345.446 1.822 20 5 EDBDMO Cc1sc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000343471361 445229084 /nfs/dbraw/zinc/22/90/84/445229084.db2.gz TYAJTAYIKFEMME-KOLCDFICSA-N 1 1 345.446 1.822 20 5 EDBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000343505330 445235458 /nfs/dbraw/zinc/23/54/58/445235458.db2.gz DKFKEKMZOHEWLZ-OLZOCXBDSA-N 1 1 335.408 1.612 20 5 EDBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000348300000 445248288 /nfs/dbraw/zinc/24/82/88/445248288.db2.gz HXALKZPEEIMMLT-LBPRGKRZSA-N 1 1 325.390 1.452 20 5 EDBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000348300000 445248289 /nfs/dbraw/zinc/24/82/89/445248289.db2.gz HXALKZPEEIMMLT-LBPRGKRZSA-N 1 1 325.390 1.452 20 5 EDBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000351960811 445402055 /nfs/dbraw/zinc/40/20/55/445402055.db2.gz WMIAXZTVWICULI-GXTWGEPZSA-N 1 1 344.375 1.138 20 5 EDBDMO COc1ccc(C[N@H+]2CC[C@H](N3CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000352017338 445441692 /nfs/dbraw/zinc/44/16/92/445441692.db2.gz FYTODABWIPQUFN-ZFWWWQNUSA-N 1 1 335.404 1.898 20 5 EDBDMO Cn1nccc1[C@@H]1[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@H+]1C ZINC000348948855 445451152 /nfs/dbraw/zinc/45/11/52/445451152.db2.gz JPLHLEGAVPQIPA-ABAIWWIYSA-N 1 1 346.391 1.469 20 5 EDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357180835 445470216 /nfs/dbraw/zinc/47/02/16/445470216.db2.gz BUVVETBRHQSOCD-XQQFMLRXSA-N 1 1 347.419 1.930 20 5 EDBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000353480773 445621825 /nfs/dbraw/zinc/62/18/25/445621825.db2.gz HRWCREMIBDUAMD-CYBMUJFWSA-N 1 1 341.433 1.971 20 5 EDBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000353480773 445621827 /nfs/dbraw/zinc/62/18/27/445621827.db2.gz HRWCREMIBDUAMD-CYBMUJFWSA-N 1 1 341.433 1.971 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c[nH]c4nccnc34)C2)nc1 ZINC000356131866 445637645 /nfs/dbraw/zinc/63/76/45/445637645.db2.gz URFDTQLQCBDUNQ-GFCCVEGCSA-N 1 1 339.359 1.899 20 5 EDBDMO CC[C@@H](NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358707251 445731991 /nfs/dbraw/zinc/73/19/91/445731991.db2.gz ONQHYQCRJWXNCC-ZBFHGGJFSA-N 1 1 336.392 1.412 20 5 EDBDMO Cc1cc(N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000361682337 445876086 /nfs/dbraw/zinc/87/60/86/445876086.db2.gz TZGVNTFJMSYRND-HNNXBMFYSA-N 1 1 346.431 1.894 20 5 EDBDMO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000356554313 445856822 /nfs/dbraw/zinc/85/68/22/445856822.db2.gz UZCUZONUKZIUIA-HNNXBMFYSA-N 1 1 337.376 1.123 20 5 EDBDMO Cc1cc(N2CCC[N@H+](CC(N)=O)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000372889555 445906158 /nfs/dbraw/zinc/90/61/58/445906158.db2.gz FQBLFLTYPJCMLA-UHFFFAOYSA-N 1 1 343.387 1.449 20 5 EDBDMO Cc1cc(N2CCC[N@@H+](CC(N)=O)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000372889555 445906160 /nfs/dbraw/zinc/90/61/60/445906160.db2.gz FQBLFLTYPJCMLA-UHFFFAOYSA-N 1 1 343.387 1.449 20 5 EDBDMO Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)ncc1[N+](=O)[O-] ZINC000364887994 445964819 /nfs/dbraw/zinc/96/48/19/445964819.db2.gz LOSGUDRPDLIDIY-SUMWQHHRSA-N 1 1 344.419 2.527 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369330229 446079535 /nfs/dbraw/zinc/07/95/35/446079535.db2.gz LBXFBRROGZXKFT-OAHLLOKOSA-N 1 1 346.431 1.755 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359290133 446125306 /nfs/dbraw/zinc/12/53/06/446125306.db2.gz QVTPOWOTDJYVCD-RYUDHWBXSA-N 1 1 334.376 1.083 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C3CCCCCC3)C2)n1 ZINC000362032814 446168373 /nfs/dbraw/zinc/16/83/73/446168373.db2.gz QLSIDHNMNLRSPM-LBPRGKRZSA-N 1 1 335.408 1.855 20 5 EDBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000359465067 446239938 /nfs/dbraw/zinc/23/99/38/446239938.db2.gz UXPVMNXQVZCXIY-LBPRGKRZSA-N 1 1 337.351 1.528 20 5 EDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000366586146 446270112 /nfs/dbraw/zinc/27/01/12/446270112.db2.gz HSNMAQPQSCTGEQ-SUMWQHHRSA-N 1 1 349.387 1.803 20 5 EDBDMO Cc1nc(N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370531267 446320950 /nfs/dbraw/zinc/32/09/50/446320950.db2.gz NFTXHCMJVHTJRZ-AWEZNQCLSA-N 1 1 347.419 1.289 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]21 ZINC000452974545 446523839 /nfs/dbraw/zinc/52/38/39/446523839.db2.gz LXFUJGCMMPYNRW-BZNIZROVSA-N 1 1 328.372 1.781 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000376481769 446524371 /nfs/dbraw/zinc/52/43/71/446524371.db2.gz MHZJWMDSZKXJAV-KGLIPLIRSA-N 1 1 346.387 1.585 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000376481768 446524990 /nfs/dbraw/zinc/52/49/90/446524990.db2.gz MHZJWMDSZKXJAV-KBPBESRZSA-N 1 1 346.387 1.585 20 5 EDBDMO O=C(C[N@@H+]1CCCC[C@H](CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000376502387 446539031 /nfs/dbraw/zinc/53/90/31/446539031.db2.gz VXKISGYELCHPOV-ZDUSSCGKSA-N 1 1 333.388 1.578 20 5 EDBDMO COCCC[N@H+]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000371002753 446567651 /nfs/dbraw/zinc/56/76/51/446567651.db2.gz CQMRRLMHOUWGIE-QGZVFWFLSA-N 1 1 337.420 1.672 20 5 EDBDMO CCOC(=O)c1cc(N2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000371107151 446632348 /nfs/dbraw/zinc/63/23/48/446632348.db2.gz NCODZJDHTYJLKO-AWEZNQCLSA-N 1 1 349.387 1.682 20 5 EDBDMO COC(=O)[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411904313 446712912 /nfs/dbraw/zinc/71/29/12/446712912.db2.gz LQXUONNQQWDSRQ-LLVKDONJSA-N 1 1 325.340 1.271 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411981684 446773978 /nfs/dbraw/zinc/77/39/78/446773978.db2.gz ORWBPKOOUOTIFE-IXDOHACOSA-N 1 1 347.415 1.925 20 5 EDBDMO Cc1cc(C(=O)NC2CCC([NH+]3CCNCC3)CC2)ccc1[N+](=O)[O-] ZINC000423955641 446798144 /nfs/dbraw/zinc/79/81/44/446798144.db2.gz TXQGOPDKYATETI-UHFFFAOYSA-N 1 1 346.431 1.849 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000412048012 446808649 /nfs/dbraw/zinc/80/86/49/446808649.db2.gz PRAIZPCCRAUMBF-OBJOEFQTSA-N 1 1 349.387 1.635 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000412048012 446808657 /nfs/dbraw/zinc/80/86/57/446808657.db2.gz PRAIZPCCRAUMBF-OBJOEFQTSA-N 1 1 349.387 1.635 20 5 EDBDMO O=C1COc2cc([N+](=O)[O-])c(NC[C@H]3C[N@@H+](C4CC4)CCO3)cc2N1 ZINC000368458922 446876070 /nfs/dbraw/zinc/87/60/70/446876070.db2.gz SKUDRINOTUBXDJ-NSHDSACASA-N 1 1 348.359 1.201 20 5 EDBDMO O=C1COc2cc([N+](=O)[O-])c(NC[C@H]3C[N@H+](C4CC4)CCO3)cc2N1 ZINC000368458922 446876077 /nfs/dbraw/zinc/87/60/77/446876077.db2.gz SKUDRINOTUBXDJ-NSHDSACASA-N 1 1 348.359 1.201 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420940573 446914510 /nfs/dbraw/zinc/91/45/10/446914510.db2.gz DQKMUQHBLBQQBV-CMPLNLGQSA-N 1 1 336.314 1.817 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000371548398 446927933 /nfs/dbraw/zinc/92/79/33/446927933.db2.gz ZSSAVQZNNWHGHL-BLLLJJGKSA-N 1 1 332.404 1.827 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000372346706 447044022 /nfs/dbraw/zinc/04/40/22/447044022.db2.gz OZEYFCOHBBDQHO-LSDHHAIUSA-N 1 1 333.388 1.886 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000372346706 447044031 /nfs/dbraw/zinc/04/40/31/447044031.db2.gz OZEYFCOHBBDQHO-LSDHHAIUSA-N 1 1 333.388 1.886 20 5 EDBDMO Cc1cc([N+](=O)[O-])cn(Cc2ccc(C[NH+]3CCOCC3)cc2)c1=O ZINC000421219717 447069802 /nfs/dbraw/zinc/06/98/02/447069802.db2.gz VLXDVMLEZMTKRH-UHFFFAOYSA-N 1 1 343.383 1.945 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421305477 447119794 /nfs/dbraw/zinc/11/97/94/447119794.db2.gz MZRMYAFNBKGBNV-ZDUSSCGKSA-N 1 1 348.403 1.703 20 5 EDBDMO C[C@H]1C[C@H]1C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421395545 447149027 /nfs/dbraw/zinc/14/90/27/447149027.db2.gz YUBPCZRLXTXWDF-RYUDHWBXSA-N 1 1 327.406 1.461 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425543726 447220909 /nfs/dbraw/zinc/22/09/09/447220909.db2.gz IEBFEPXTFBMEGO-QWRGUYRKSA-N 1 1 330.348 1.529 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425543726 447220921 /nfs/dbraw/zinc/22/09/21/447220921.db2.gz IEBFEPXTFBMEGO-QWRGUYRKSA-N 1 1 330.348 1.529 20 5 EDBDMO CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000422395035 447525007 /nfs/dbraw/zinc/52/50/07/447525007.db2.gz DWQIFLJFMAUFMR-HIFRSBDPSA-N 1 1 348.403 1.373 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416406902 447591902 /nfs/dbraw/zinc/59/19/02/447591902.db2.gz HEGUKEKPGVPOLV-QWHCGFSZSA-N 1 1 341.433 1.973 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000416301240 447563916 /nfs/dbraw/zinc/56/39/16/447563916.db2.gz VAANBAXHLRBPOE-GHMZBOCLSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000416301240 447563922 /nfs/dbraw/zinc/56/39/22/447563922.db2.gz VAANBAXHLRBPOE-GHMZBOCLSA-N 1 1 341.795 1.775 20 5 EDBDMO COc1cc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1[N+](=O)[O-] ZINC000420235293 447681814 /nfs/dbraw/zinc/68/18/14/447681814.db2.gz HODMVJVUOFIEKL-ZDUSSCGKSA-N 1 1 334.376 1.004 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](C1CC1)C1COC1 ZINC000451123022 447691117 /nfs/dbraw/zinc/69/11/17/447691117.db2.gz BHYSVMPJAXALCE-UHFFFAOYSA-N 1 1 333.344 1.756 20 5 EDBDMO COC[C@]1(CO)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451926083 447785317 /nfs/dbraw/zinc/78/53/17/447785317.db2.gz HJHASKAFQSMEBL-NVXWUHKLSA-N 1 1 349.387 1.031 20 5 EDBDMO COC[C@]1(CO)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451926083 447785322 /nfs/dbraw/zinc/78/53/22/447785322.db2.gz HJHASKAFQSMEBL-NVXWUHKLSA-N 1 1 349.387 1.031 20 5 EDBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496510973 447798968 /nfs/dbraw/zinc/79/89/68/447798968.db2.gz GSDAFPGGKJYMIK-CQSZACIVSA-N 1 1 339.392 1.912 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000525805636 448029523 /nfs/dbraw/zinc/02/95/23/448029523.db2.gz XVIOZMLEJRLGJL-GFCCVEGCSA-N 1 1 344.375 1.247 20 5 EDBDMO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577180332 448228358 /nfs/dbraw/zinc/22/83/58/448228358.db2.gz FPOFAQWDBAOFPQ-CYBMUJFWSA-N 1 1 336.396 1.305 20 5 EDBDMO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577180332 448228362 /nfs/dbraw/zinc/22/83/62/448228362.db2.gz FPOFAQWDBAOFPQ-CYBMUJFWSA-N 1 1 336.396 1.305 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C2)C1 ZINC000577203942 448235465 /nfs/dbraw/zinc/23/54/65/448235465.db2.gz KGGWQSRRRYCMQF-KRWDZBQOSA-N 1 1 347.371 1.534 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000577339528 448266389 /nfs/dbraw/zinc/26/63/89/448266389.db2.gz FXEKAUIMGIXVLG-GFCCVEGCSA-N 1 1 344.375 1.467 20 5 EDBDMO COC(=O)[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C)C1 ZINC000591189344 448283878 /nfs/dbraw/zinc/28/38/78/448283878.db2.gz KRKMISGRIHGRDZ-LLVKDONJSA-N 1 1 345.359 1.079 20 5 EDBDMO C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000565190765 448358330 /nfs/dbraw/zinc/35/83/30/448358330.db2.gz HVAMUSJUNXOTPY-NEPJUHHUSA-N 1 1 347.419 1.955 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572748137 448455572 /nfs/dbraw/zinc/45/55/72/448455572.db2.gz AVNZPGYSLDWREG-CQSZACIVSA-N 1 1 336.392 1.709 20 5 EDBDMO C[C@H](SC[C@@H]1C[N@H+](C)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578532061 448572231 /nfs/dbraw/zinc/57/22/31/448572231.db2.gz YMXYDJVTVZNUHB-RYUDHWBXSA-N 1 1 339.417 1.986 20 5 EDBDMO C[C@H](SC[C@@H]1C[N@@H+](C)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578532061 448572237 /nfs/dbraw/zinc/57/22/37/448572237.db2.gz YMXYDJVTVZNUHB-RYUDHWBXSA-N 1 1 339.417 1.986 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000578856025 448651550 /nfs/dbraw/zinc/65/15/50/448651550.db2.gz BBBYMXLIMKPYKP-CYBMUJFWSA-N 1 1 348.403 1.608 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000540909364 448653430 /nfs/dbraw/zinc/65/34/30/448653430.db2.gz NWRIGLLJKDHIER-NSHDSACASA-N 1 1 335.360 1.784 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000585781911 448763963 /nfs/dbraw/zinc/76/39/63/448763963.db2.gz BSEILVYYEBSHPL-HUUCEWRRSA-N 1 1 335.360 1.291 20 5 EDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000573930560 448750033 /nfs/dbraw/zinc/75/00/33/448750033.db2.gz ZBMLEKNKCXCKTA-CYBMUJFWSA-N 1 1 334.376 1.394 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000573930560 448750037 /nfs/dbraw/zinc/75/00/37/448750037.db2.gz ZBMLEKNKCXCKTA-CYBMUJFWSA-N 1 1 334.376 1.394 20 5 EDBDMO O=[N+]([O-])c1cc(F)c(CN2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000586768184 448805280 /nfs/dbraw/zinc/80/52/80/448805280.db2.gz ZAWIQDDFWKWGSW-NSHDSACASA-N 1 1 327.331 1.780 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C)([NH3+])CC1 ZINC000592484869 448856192 /nfs/dbraw/zinc/85/61/92/448856192.db2.gz GLLADVIDWUXACN-UHFFFAOYSA-N 1 1 336.392 1.745 20 5 EDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000592531532 448882426 /nfs/dbraw/zinc/88/24/26/448882426.db2.gz VTAVTZSGDNCJQW-UACPFRLSSA-N 1 1 334.372 1.854 20 5 EDBDMO CC1(C)CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@H+]1CCO ZINC000588026818 448859480 /nfs/dbraw/zinc/85/94/80/448859480.db2.gz HHOFVKLPYIIYKW-UHFFFAOYSA-N 1 1 347.375 1.137 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000520552728 448909046 /nfs/dbraw/zinc/90/90/46/448909046.db2.gz JWUYPIRDLXYXMR-OAHLLOKOSA-N 1 1 347.419 1.513 20 5 EDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000588976264 448957040 /nfs/dbraw/zinc/95/70/40/448957040.db2.gz NKQQHPQUYHFRQY-JTQLQIEISA-N 1 1 331.332 1.342 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597858814 449126606 /nfs/dbraw/zinc/12/66/06/449126606.db2.gz PIOYHIUMNANZKD-LLVKDONJSA-N 1 1 349.387 1.969 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1 ZINC000595727387 449133912 /nfs/dbraw/zinc/13/39/12/449133912.db2.gz BRTKJLABLDTMQK-GXTWGEPZSA-N 1 1 347.371 1.482 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1 ZINC000595727387 449133914 /nfs/dbraw/zinc/13/39/14/449133914.db2.gz BRTKJLABLDTMQK-GXTWGEPZSA-N 1 1 347.371 1.482 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000593618665 449111344 /nfs/dbraw/zinc/11/13/44/449111344.db2.gz OETSIGYKZFWEGV-VXGBXAGGSA-N 1 1 339.367 1.190 20 5 EDBDMO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C[C@H](C)[N@@H+]1C ZINC000590146314 449111994 /nfs/dbraw/zinc/11/19/94/449111994.db2.gz YFBOBGBDPMPSIE-PHIMTYICSA-N 1 1 333.392 1.314 20 5 EDBDMO CC(C)(C(=O)NC1CC([NH+]2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000600065621 449167713 /nfs/dbraw/zinc/16/77/13/449167713.db2.gz AIZYSVFVJZURDM-UHFFFAOYSA-N 1 1 347.415 1.852 20 5 EDBDMO C[N@H+](CCN1CCCCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593113979 449141696 /nfs/dbraw/zinc/14/16/96/449141696.db2.gz YTJCBHHEUDHUHR-INIZCTEOSA-N 1 1 337.420 1.752 20 5 EDBDMO C[N@@H+](CCN1CCCCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593113979 449141698 /nfs/dbraw/zinc/14/16/98/449141698.db2.gz YTJCBHHEUDHUHR-INIZCTEOSA-N 1 1 337.420 1.752 20 5 EDBDMO CCc1ccc(C(=O)N2CC(C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000590392384 449145825 /nfs/dbraw/zinc/14/58/25/449145825.db2.gz SEIUXUKBEPWMJC-UHFFFAOYSA-N 1 1 333.388 1.561 20 5 EDBDMO COc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000590403018 449149721 /nfs/dbraw/zinc/14/97/21/449149721.db2.gz WFTLWXTUJBDBRX-UKRRQHHQSA-N 1 1 349.387 1.539 20 5 EDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000590577937 449199954 /nfs/dbraw/zinc/19/99/54/449199954.db2.gz JRJWZQCJEMXGKD-LBPRGKRZSA-N 1 1 336.392 1.945 20 5 EDBDMO C[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000590631928 449228260 /nfs/dbraw/zinc/22/82/60/449228260.db2.gz IWDNSAZFUWHVRL-ZDUSSCGKSA-N 1 1 329.360 1.605 20 5 EDBDMO CN1CC[NH+](CCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593390460 449259564 /nfs/dbraw/zinc/25/95/64/449259564.db2.gz CQLQNNRNEIUNFH-UHFFFAOYSA-N 1 1 338.383 1.030 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611349001 449269636 /nfs/dbraw/zinc/26/96/36/449269636.db2.gz ZNEDURGIWICGMB-CQSZACIVSA-N 1 1 348.403 1.248 20 5 EDBDMO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]2COC[C@@H]21 ZINC000590765887 449286151 /nfs/dbraw/zinc/28/61/51/449286151.db2.gz GTGIDTWXVQHSFC-GOEBONIOSA-N 1 1 345.399 1.841 20 5 EDBDMO CC1(C)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]2COC[C@@H]21 ZINC000590765887 449286155 /nfs/dbraw/zinc/28/61/55/449286155.db2.gz GTGIDTWXVQHSFC-GOEBONIOSA-N 1 1 345.399 1.841 20 5 EDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000600310960 449314416 /nfs/dbraw/zinc/31/44/16/449314416.db2.gz MBEIVIBPUIHBKU-GFCCVEGCSA-N 1 1 349.387 1.828 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596060349 449341994 /nfs/dbraw/zinc/34/19/94/449341994.db2.gz ZSTJXAFKUYKERU-LLVKDONJSA-N 1 1 328.800 1.834 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000598341656 449356352 /nfs/dbraw/zinc/35/63/52/449356352.db2.gz FLDGCEROMDEIJQ-SNVBAGLBSA-N 1 1 325.340 1.957 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594108944 449358229 /nfs/dbraw/zinc/35/82/29/449358229.db2.gz JKBPZZSGWJLMQH-UONOGXRCSA-N 1 1 334.376 1.440 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596106053 449364465 /nfs/dbraw/zinc/36/44/65/449364465.db2.gz SQYDQZCWCZDHNZ-JTQLQIEISA-N 1 1 330.410 1.384 20 5 EDBDMO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC000593532127 449329155 /nfs/dbraw/zinc/32/91/55/449329155.db2.gz WSTZWGOCWHXTGP-RYUDHWBXSA-N 1 1 342.421 1.389 20 5 EDBDMO CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[N@@H+](C)C1 ZINC000596177162 449398382 /nfs/dbraw/zinc/39/83/82/449398382.db2.gz APNZBSUOVZCFLB-CQSZACIVSA-N 1 1 336.392 1.839 20 5 EDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000598509250 449434295 /nfs/dbraw/zinc/43/42/95/449434295.db2.gz KMYWVSSBVUSFHA-HNNXBMFYSA-N 1 1 343.387 1.572 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000596307609 449467588 /nfs/dbraw/zinc/46/75/88/449467588.db2.gz NHOFREXZXAJUDK-NSHDSACASA-N 1 1 342.421 1.527 20 5 EDBDMO COC(=O)c1cc(C)nc(NC[C@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596309870 449469133 /nfs/dbraw/zinc/46/91/33/449469133.db2.gz YWHQAFHVHXNAFC-LLVKDONJSA-N 1 1 336.392 2.370 20 5 EDBDMO O=[N+]([O-])c1ccc2c(c1N1CCC([N@H+]3CC[C@@H](O)C3)CC1)CCN2 ZINC000596541576 449547170 /nfs/dbraw/zinc/54/71/70/449547170.db2.gz ZLFZVMXWQGUDMN-CYBMUJFWSA-N 1 1 332.404 1.598 20 5 EDBDMO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCN1C1CCOCC1 ZINC000601141623 449711697 /nfs/dbraw/zinc/71/16/97/449711697.db2.gz GEVIQGATUYUBLQ-OAHLLOKOSA-N 1 1 337.351 1.603 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000612576487 449782164 /nfs/dbraw/zinc/78/21/64/449782164.db2.gz NONSKIZFYDGACG-UHFFFAOYSA-N 1 1 327.406 1.417 20 5 EDBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000601187003 449740647 /nfs/dbraw/zinc/74/06/47/449740647.db2.gz JZEZIFYQLWADGO-UHFFFAOYSA-N 1 1 342.421 1.033 20 5 EDBDMO C[C@H](C(=O)NCCCCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617698854 449743285 /nfs/dbraw/zinc/74/32/85/449743285.db2.gz XUGQGSACSDXAFD-HNNXBMFYSA-N 1 1 348.447 1.842 20 5 EDBDMO COC(=O)C[C@H]1CSCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602781605 449805582 /nfs/dbraw/zinc/80/55/82/449805582.db2.gz BJPMRLLPXRWHMX-NSHDSACASA-N 1 1 328.394 1.080 20 5 EDBDMO COC(=O)C[C@H]1CSCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602781605 449805589 /nfs/dbraw/zinc/80/55/89/449805589.db2.gz BJPMRLLPXRWHMX-NSHDSACASA-N 1 1 328.394 1.080 20 5 EDBDMO O=C1[C@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1C1CCC1 ZINC000602796088 449817010 /nfs/dbraw/zinc/81/70/10/449817010.db2.gz VGJQXXRQIPJNEH-IUODEOHRSA-N 1 1 345.403 1.629 20 5 EDBDMO O=C1[C@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1C1CCC1 ZINC000602796088 449817018 /nfs/dbraw/zinc/81/70/18/449817018.db2.gz VGJQXXRQIPJNEH-IUODEOHRSA-N 1 1 345.403 1.629 20 5 EDBDMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000594967332 449822768 /nfs/dbraw/zinc/82/27/68/449822768.db2.gz WMINJZNJCGVEEN-UUSSSYRCSA-N 1 1 326.374 1.010 20 5 EDBDMO Cc1cc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601337826 449846104 /nfs/dbraw/zinc/84/61/04/449846104.db2.gz IJXRMKRYHCTZHW-UWVGGRQHSA-N 1 1 331.369 1.413 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000602830204 449841698 /nfs/dbraw/zinc/84/16/98/449841698.db2.gz AQTRRJBBKQGNHK-AWEZNQCLSA-N 1 1 332.408 1.959 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601438631 449959828 /nfs/dbraw/zinc/95/98/28/449959828.db2.gz DFZHMFBXUJXXPZ-LBPRGKRZSA-N 1 1 327.406 1.700 20 5 EDBDMO C[C@H]1CCCN(C(=O)C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000602965900 449968818 /nfs/dbraw/zinc/96/88/18/449968818.db2.gz QSGIBNMGDRJVRV-SUMWQHHRSA-N 1 1 335.404 1.650 20 5 EDBDMO Cc1ccc(C(=O)NCCCN2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000609619839 450071749 /nfs/dbraw/zinc/07/17/49/450071749.db2.gz JTQZCZOTBZQSSQ-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO Cc1ccc(C(=O)NCCC[N@H+]2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000609619839 450071757 /nfs/dbraw/zinc/07/17/57/450071757.db2.gz JTQZCZOTBZQSSQ-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO Cc1ccc(C(=O)NCCC[N@@H+]2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000609619839 450071763 /nfs/dbraw/zinc/07/17/63/450071763.db2.gz JTQZCZOTBZQSSQ-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595357010 450071982 /nfs/dbraw/zinc/07/19/82/450071982.db2.gz WIGVJLZCCFTHLL-CQSZACIVSA-N 1 1 341.433 1.541 20 5 EDBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000609448248 450029608 /nfs/dbraw/zinc/02/96/08/450029608.db2.gz DEIQZDWTLCGOMA-HUUCEWRRSA-N 1 1 337.351 1.405 20 5 EDBDMO CNc1ccc(C(=O)NCCCN2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000609623843 450073384 /nfs/dbraw/zinc/07/33/84/450073384.db2.gz CCMIKEJSTZZFEX-UHFFFAOYSA-N 1 1 349.435 1.394 20 5 EDBDMO CNc1ccc(C(=O)NCCC[N@@H+]2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000609623843 450073392 /nfs/dbraw/zinc/07/33/92/450073392.db2.gz CCMIKEJSTZZFEX-UHFFFAOYSA-N 1 1 349.435 1.394 20 5 EDBDMO CNc1ccc(C(=O)NCCC[N@H+]2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000609623843 450073401 /nfs/dbraw/zinc/07/34/01/450073401.db2.gz CCMIKEJSTZZFEX-UHFFFAOYSA-N 1 1 349.435 1.394 20 5 EDBDMO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000603111369 450073887 /nfs/dbraw/zinc/07/38/87/450073887.db2.gz PRAGMVJPGWLDFR-CABCVRRESA-N 1 1 333.388 1.824 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCO[C@@H]3CC3(F)F)C2)nc1 ZINC000595373221 450086490 /nfs/dbraw/zinc/08/64/90/450086490.db2.gz YQBNVXSOAJHACA-CMPLNLGQSA-N 1 1 328.319 1.900 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639097 450121254 /nfs/dbraw/zinc/12/12/54/450121254.db2.gz YCJSEQLRVLVABB-GRDNDAEWSA-N 1 1 336.388 1.429 20 5 EDBDMO CNc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000609997064 450124113 /nfs/dbraw/zinc/12/41/13/450124113.db2.gz VHYBFWDRTNQPQZ-GFCCVEGCSA-N 1 1 336.392 1.335 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610177406 450149748 /nfs/dbraw/zinc/14/97/48/450149748.db2.gz KEXLRLVJSMZEKY-RISCZKNCSA-N 1 1 349.387 1.778 20 5 EDBDMO COC[C@@]1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000599701169 450162377 /nfs/dbraw/zinc/16/23/77/450162377.db2.gz XPVZMJGHCZFVCN-CZUORRHYSA-N 1 1 340.376 1.072 20 5 EDBDMO COC[C@@]1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000599701169 450162383 /nfs/dbraw/zinc/16/23/83/450162383.db2.gz XPVZMJGHCZFVCN-CZUORRHYSA-N 1 1 340.376 1.072 20 5 EDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595504095 450190434 /nfs/dbraw/zinc/19/04/34/450190434.db2.gz DZOXHJNEJNVOTD-QGZVFWFLSA-N 1 1 332.404 1.951 20 5 EDBDMO CCCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000610782891 450334757 /nfs/dbraw/zinc/33/47/57/450334757.db2.gz SALIQFHPZNWILR-CYBMUJFWSA-N 1 1 344.437 1.389 20 5 EDBDMO CCCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000610782891 450334764 /nfs/dbraw/zinc/33/47/64/450334764.db2.gz SALIQFHPZNWILR-CYBMUJFWSA-N 1 1 344.437 1.389 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000619873549 450349380 /nfs/dbraw/zinc/34/93/80/450349380.db2.gz MHGPADXJBKBWIU-ZDUSSCGKSA-N 1 1 343.387 1.196 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC[N@H+]1C[C@H](C)O ZINC000246958699 535840250 /nfs/dbraw/zinc/84/02/50/535840250.db2.gz SPBHBMBKPJDUMY-UONOGXRCSA-N 1 1 335.404 1.820 20 5 EDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000742241382 579445051 /nfs/dbraw/zinc/44/50/51/579445051.db2.gz UPOWMWYIRORVGS-CYBMUJFWSA-N 1 1 343.387 1.995 20 5 EDBDMO O=C(NCCO)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000728915648 578554299 /nfs/dbraw/zinc/55/42/99/578554299.db2.gz HEFBJNPENFLSRQ-UHFFFAOYSA-N 1 1 325.340 1.054 20 5 EDBDMO CC[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000731303894 578673624 /nfs/dbraw/zinc/67/36/24/578673624.db2.gz DDFDEVMJTTUUQY-CQSZACIVSA-N 1 1 348.403 1.620 20 5 EDBDMO CC[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000731303894 578673625 /nfs/dbraw/zinc/67/36/25/578673625.db2.gz DDFDEVMJTTUUQY-CQSZACIVSA-N 1 1 348.403 1.620 20 5 EDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736265353 578970103 /nfs/dbraw/zinc/97/01/03/578970103.db2.gz IHWSTPAHCGBNHN-WDEREUQCSA-N 1 1 346.395 1.702 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)N2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000761083026 580047513 /nfs/dbraw/zinc/04/75/13/580047513.db2.gz SFDSKTQYDOJXDB-NEPJUHHUSA-N 1 1 336.392 1.566 20 5 EDBDMO Cc1nn(CCC(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000788114206 579214009 /nfs/dbraw/zinc/21/40/09/579214009.db2.gz DNNCIDKQVHRZFC-KBPBESRZSA-N 1 1 336.392 1.968 20 5 EDBDMO Cc1c(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748350059 579680860 /nfs/dbraw/zinc/68/08/60/579680860.db2.gz NICXBUYWJGVUAL-SECBINFHSA-N 1 1 336.348 1.896 20 5 EDBDMO Cc1c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748350059 579680861 /nfs/dbraw/zinc/68/08/61/579680861.db2.gz NICXBUYWJGVUAL-SECBINFHSA-N 1 1 336.348 1.896 20 5 EDBDMO COC(=O)[C@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749955135 579745181 /nfs/dbraw/zinc/74/51/81/579745181.db2.gz PSWRWSCYAZKAAI-NSHDSACASA-N 1 1 333.348 1.490 20 5 EDBDMO COC(=O)[C@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749955135 579745182 /nfs/dbraw/zinc/74/51/82/579745182.db2.gz PSWRWSCYAZKAAI-NSHDSACASA-N 1 1 333.348 1.490 20 5 EDBDMO O=C(OCCC[NH+]1CCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000762905822 580087631 /nfs/dbraw/zinc/08/76/31/580087631.db2.gz IGMDSGDUUNXXBT-UHFFFAOYSA-N 1 1 333.344 1.955 20 5 EDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000771398500 580285834 /nfs/dbraw/zinc/28/58/34/580285834.db2.gz UIVDWTAHPOSKEM-NWDGAFQWSA-N 1 1 331.376 1.496 20 5 EDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000773535497 580340027 /nfs/dbraw/zinc/34/00/27/580340027.db2.gz UKPMBNSEHTZRAK-HQQUCIOCSA-N 1 1 330.388 1.114 20 5 EDBDMO CCC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000776578535 580421948 /nfs/dbraw/zinc/42/19/48/580421948.db2.gz GIFFEGVDGNMUCP-LSDHHAIUSA-N 1 1 342.417 1.527 20 5 EDBDMO CCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000776578535 580421949 /nfs/dbraw/zinc/42/19/49/580421949.db2.gz GIFFEGVDGNMUCP-LSDHHAIUSA-N 1 1 342.417 1.527 20 5 EDBDMO O=C(CC[N@@H+]1CCSC[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525002 580576870 /nfs/dbraw/zinc/57/68/70/580576870.db2.gz RLBDOISMPUPBLM-NSHDSACASA-N 1 1 343.380 1.472 20 5 EDBDMO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788752598 580728977 /nfs/dbraw/zinc/72/89/77/580728977.db2.gz GCQQVRAOUXNWMO-KBPBESRZSA-N 1 1 335.452 1.854 20 5 EDBDMO O=C1CCCN1[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000790459156 580770834 /nfs/dbraw/zinc/77/08/34/580770834.db2.gz KDYVJULIUHQNLW-AWEZNQCLSA-N 1 1 329.360 1.599 20 5 EDBDMO O=C1CCCN1[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000790459156 580770835 /nfs/dbraw/zinc/77/08/35/580770835.db2.gz KDYVJULIUHQNLW-AWEZNQCLSA-N 1 1 329.360 1.599 20 5 EDBDMO CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@H+](C)CC1 ZINC000888995640 590664487 /nfs/dbraw/zinc/66/44/87/590664487.db2.gz XXXJSMLJKLIQMF-UHFFFAOYSA-N 1 1 346.387 1.660 20 5 EDBDMO CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+](C)CC1 ZINC000888995640 590664488 /nfs/dbraw/zinc/66/44/88/590664488.db2.gz XXXJSMLJKLIQMF-UHFFFAOYSA-N 1 1 346.387 1.660 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000893117998 590669736 /nfs/dbraw/zinc/66/97/36/590669736.db2.gz AZWBGVFWLLGHDS-HNNXBMFYSA-N 1 1 345.403 1.897 20 5 EDBDMO CN1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)CC1 ZINC000888991216 590976107 /nfs/dbraw/zinc/97/61/07/590976107.db2.gz SWIQBYRHAOXUOQ-UHFFFAOYSA-N 1 1 348.447 1.578 20 5 EDBDMO Cc1nn(C)c(N2CC[NH+](CCc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000894839476 591437289 /nfs/dbraw/zinc/43/72/89/591437289.db2.gz JLWOLSYTCCDPBG-UHFFFAOYSA-N 1 1 330.392 1.396 20 5 EDBDMO CCc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896553370 591518154 /nfs/dbraw/zinc/51/81/54/591518154.db2.gz BFYSHBDNKONXSN-BLLLJJGKSA-N 1 1 334.420 1.521 20 5 EDBDMO C[C@@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000897051817 591729574 /nfs/dbraw/zinc/72/95/74/591729574.db2.gz FRFDEYAWZISGEK-GXTWGEPZSA-N 1 1 348.403 1.159 20 5 EDBDMO C[C@@H](CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000897051817 591729576 /nfs/dbraw/zinc/72/95/76/591729576.db2.gz FRFDEYAWZISGEK-GXTWGEPZSA-N 1 1 348.403 1.159 20 5 EDBDMO C[NH+]1CCN(CC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000899218921 591736968 /nfs/dbraw/zinc/73/69/68/591736968.db2.gz MWCXKSBKWJUWTH-UHFFFAOYSA-N 1 1 329.360 1.329 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900810367 592132375 /nfs/dbraw/zinc/13/23/75/592132375.db2.gz HHYWLAWKNIHOQL-GJZGRUSLSA-N 1 1 348.447 1.884 20 5 EDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000908442345 592497234 /nfs/dbraw/zinc/49/72/34/592497234.db2.gz DZHFBJBQEXWKRJ-SNVBAGLBSA-N 1 1 326.784 1.997 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000908442345 592497237 /nfs/dbraw/zinc/49/72/37/592497237.db2.gz DZHFBJBQEXWKRJ-SNVBAGLBSA-N 1 1 326.784 1.997 20 5 EDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000838142061 593133605 /nfs/dbraw/zinc/13/36/05/593133605.db2.gz KUPWUMPIRCEBFL-LBPRGKRZSA-N 1 1 339.367 1.961 20 5 EDBDMO Cc1nn(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840134784 593252914 /nfs/dbraw/zinc/25/29/14/593252914.db2.gz PBQLHOFCKGSCAY-BETUJISGSA-N 1 1 347.419 1.597 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000840150886 593298552 /nfs/dbraw/zinc/29/85/52/593298552.db2.gz AWUDSWNGHBQFRG-CYBMUJFWSA-N 1 1 346.387 1.563 20 5 EDBDMO CCOC[C@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840019777 593380901 /nfs/dbraw/zinc/38/09/01/593380901.db2.gz WLBMWSGHXFUPRT-GUYCJALGSA-N 1 1 349.387 1.848 20 5 EDBDMO CCOC[C@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840019777 593380902 /nfs/dbraw/zinc/38/09/02/593380902.db2.gz WLBMWSGHXFUPRT-GUYCJALGSA-N 1 1 349.387 1.848 20 5 EDBDMO C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000815065939 593613060 /nfs/dbraw/zinc/61/30/60/593613060.db2.gz SUYQQUMXUWZTDT-CYBMUJFWSA-N 1 1 345.446 1.763 20 5 EDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000818977662 593731683 /nfs/dbraw/zinc/73/16/83/593731683.db2.gz IXAHWHMSCUKLEM-LLVKDONJSA-N 1 1 338.383 1.966 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000818977662 593731684 /nfs/dbraw/zinc/73/16/84/593731684.db2.gz IXAHWHMSCUKLEM-LLVKDONJSA-N 1 1 338.383 1.966 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927472 593889607 /nfs/dbraw/zinc/88/96/07/593889607.db2.gz YVEVKJQKOHBZAX-QWRGUYRKSA-N 1 1 337.380 1.096 20 5 EDBDMO Cc1ccccc1[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000825189541 594144652 /nfs/dbraw/zinc/14/46/52/594144652.db2.gz IPPHXAUDECGJSG-OAHLLOKOSA-N 1 1 329.360 1.273 20 5 EDBDMO O=C1OCCN1C[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830124794 594340414 /nfs/dbraw/zinc/34/04/14/594340414.db2.gz PPXKHYBESDWVIF-WFASDCNBSA-N 1 1 335.360 1.402 20 5 EDBDMO C[NH+]1CCN(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)CC1 ZINC000827450883 594673575 /nfs/dbraw/zinc/67/35/75/594673575.db2.gz ZVITVHJYCOCQNL-UHFFFAOYSA-N 1 1 347.419 1.029 20 5 EDBDMO [NH3+]CC(F)(F)CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841971749 594992701 /nfs/dbraw/zinc/99/27/01/594992701.db2.gz VJUUPQHNMWQKFG-UHFFFAOYSA-N 1 1 343.334 1.020 20 5 EDBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000121578421 595039564 /nfs/dbraw/zinc/03/95/64/595039564.db2.gz INRANGGVMVGYNY-OKILXGFUSA-N 1 1 335.404 1.705 20 5 EDBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000837482329 595121528 /nfs/dbraw/zinc/12/15/28/595121528.db2.gz XIDCUHFULPDSSP-AWEZNQCLSA-N 1 1 337.376 1.563 20 5 EDBDMO COC(=O)[C@@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000844739389 595387105 /nfs/dbraw/zinc/38/71/05/595387105.db2.gz FLXLNCHZSOYYOY-UONOGXRCSA-N 1 1 330.344 1.637 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000844739389 595387108 /nfs/dbraw/zinc/38/71/08/595387108.db2.gz FLXLNCHZSOYYOY-UONOGXRCSA-N 1 1 330.344 1.637 20 5 EDBDMO C[N@@H+]1CCC[C@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848581354 595408467 /nfs/dbraw/zinc/40/84/67/595408467.db2.gz QHHWIWWPLZIXEL-JTQLQIEISA-N 1 1 329.303 1.777 20 5 EDBDMO C[N@H+]1CCC[C@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848581354 595408468 /nfs/dbraw/zinc/40/84/68/595408468.db2.gz QHHWIWWPLZIXEL-JTQLQIEISA-N 1 1 329.303 1.777 20 5 EDBDMO C[S@@](=O)CC[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000845492887 595506899 /nfs/dbraw/zinc/50/68/99/595506899.db2.gz HRXNTICUZWTGNQ-XMMPIXPASA-N 1 1 348.428 1.644 20 5 EDBDMO CC12CC(C1)C[N@H+]2CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852787301 595542501 /nfs/dbraw/zinc/54/25/01/595542501.db2.gz UWGUMXXLGBDAKE-UHFFFAOYSA-N 1 1 344.415 1.728 20 5 EDBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)nc1-c1ccccn1 ZINC000853519511 595780867 /nfs/dbraw/zinc/78/08/67/595780867.db2.gz YSDXEVDNFWZXQK-DOMZBBRYSA-N 1 1 329.360 1.922 20 5 EDBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)nc1-c1ccccn1 ZINC000853519511 595780868 /nfs/dbraw/zinc/78/08/68/595780868.db2.gz YSDXEVDNFWZXQK-DOMZBBRYSA-N 1 1 329.360 1.922 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000853526336 595785869 /nfs/dbraw/zinc/78/58/69/595785869.db2.gz YAUSBHVCIQREIM-CYBMUJFWSA-N 1 1 341.375 1.824 20 5 EDBDMO C[C@@]12COC[C@@H]1C[N@@H+](Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000853565380 595806652 /nfs/dbraw/zinc/80/66/52/595806652.db2.gz DYVFYQRKSXIWJF-XJKSGUPXSA-N 1 1 329.360 1.779 20 5 EDBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861716312 596078629 /nfs/dbraw/zinc/07/86/29/596078629.db2.gz RANQCDYURDCRKZ-GHMZBOCLSA-N 1 1 339.779 1.529 20 5 EDBDMO NC(=O)c1cn(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)nn1 ZINC000859593225 596140852 /nfs/dbraw/zinc/14/08/52/596140852.db2.gz CHPIIGNDEKKUNX-UHFFFAOYSA-N 1 1 348.338 1.261 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867811229 596562601 /nfs/dbraw/zinc/56/26/01/596562601.db2.gz AXHFAKLVFXQFHW-JQWIXIFHSA-N 1 1 343.380 1.449 20 5 EDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000869780117 596631958 /nfs/dbraw/zinc/63/19/58/596631958.db2.gz OSJICANKECLPGU-AWEZNQCLSA-N 1 1 335.404 1.489 20 5 EDBDMO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027266 596797571 /nfs/dbraw/zinc/79/75/71/596797571.db2.gz COUFSJKBOGNOSR-WDEREUQCSA-N 1 1 345.396 1.809 20 5 EDBDMO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872032656 596798823 /nfs/dbraw/zinc/79/88/23/596798823.db2.gz XGSDQKFATYJELP-LBPRGKRZSA-N 1 1 338.383 1.549 20 5 EDBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000872663249 597018424 /nfs/dbraw/zinc/01/84/24/597018424.db2.gz JPQGBRZGYUWIGX-NWDGAFQWSA-N 1 1 325.390 1.452 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000872663249 597018425 /nfs/dbraw/zinc/01/84/25/597018425.db2.gz JPQGBRZGYUWIGX-NWDGAFQWSA-N 1 1 325.390 1.452 20 5 EDBDMO CC(C)Oc1nc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000872758314 597060176 /nfs/dbraw/zinc/06/01/76/597060176.db2.gz XTSWTKGNEPATDH-QWHCGFSZSA-N 1 1 336.392 1.422 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879574415 597637152 /nfs/dbraw/zinc/63/71/52/597637152.db2.gz CIGPLZGTQNZUQK-DOMZBBRYSA-N 1 1 348.403 1.568 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000879576702 597639539 /nfs/dbraw/zinc/63/95/39/597639539.db2.gz XDGSEWPGHRVZMU-HOCLYGCPSA-N 1 1 344.415 1.510 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880136241 597852552 /nfs/dbraw/zinc/85/25/52/597852552.db2.gz IJLJVIAEVHXRAE-QLFBSQMISA-N 1 1 335.404 1.503 20 5 EDBDMO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880136241 597852554 /nfs/dbraw/zinc/85/25/54/597852554.db2.gz IJLJVIAEVHXRAE-QLFBSQMISA-N 1 1 335.404 1.503 20 5 EDBDMO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880136241 597852557 /nfs/dbraw/zinc/85/25/57/597852557.db2.gz IJLJVIAEVHXRAE-QLFBSQMISA-N 1 1 335.404 1.503 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCn3cnc(C(F)(F)F)c3C2)c1 ZINC000880270420 597888976 /nfs/dbraw/zinc/88/89/76/597888976.db2.gz ZVVUKZVCKLLDEO-UHFFFAOYSA-N 1 1 330.270 1.522 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCn3cnc(C(F)(F)F)c3C2)c1 ZINC000880270420 597888978 /nfs/dbraw/zinc/88/89/78/597888978.db2.gz ZVVUKZVCKLLDEO-UHFFFAOYSA-N 1 1 330.270 1.522 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)c([N+](=O)[O-])c1 ZINC000880529050 597956376 /nfs/dbraw/zinc/95/63/76/597956376.db2.gz ISXZMVIQONVIGV-BLLLJJGKSA-N 1 1 349.387 1.583 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)c([N+](=O)[O-])c1 ZINC000880529050 597956377 /nfs/dbraw/zinc/95/63/77/597956377.db2.gz ISXZMVIQONVIGV-BLLLJJGKSA-N 1 1 349.387 1.583 20 5 EDBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(-c2nn[nH]n2)c1 ZINC000738369295 598499290 /nfs/dbraw/zinc/49/92/90/598499290.db2.gz KKVNLHPJAYVYHV-RYUDHWBXSA-N 1 1 330.352 1.209 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915279685 695778242 /nfs/dbraw/zinc/77/82/42/695778242.db2.gz ZNIAYCDXRBWEPX-CQSZACIVSA-N 1 1 331.376 1.545 20 5 EDBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000918581334 697184058 /nfs/dbraw/zinc/18/40/58/697184058.db2.gz NFOHPDUPBAGQOL-CABCVRRESA-N 1 1 343.387 1.688 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC000996442008 702771353 /nfs/dbraw/zinc/77/13/53/702771353.db2.gz UGNYYEHDGYVSAK-ZIAGYGMSSA-N 1 1 334.376 1.298 20 5 EDBDMO COCc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000996429934 702783723 /nfs/dbraw/zinc/78/37/23/702783723.db2.gz XBJRFLVVQPLDNU-IAGOWNOFSA-N 1 1 347.415 1.579 20 5 EDBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CC1 ZINC000187466344 530000614 /nfs/dbraw/zinc/00/06/14/530000614.db2.gz HWLZYKJSZFERCI-AWEZNQCLSA-N 1 1 343.387 1.958 20 5 EDBDMO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000187466344 530000615 /nfs/dbraw/zinc/00/06/15/530000615.db2.gz HWLZYKJSZFERCI-AWEZNQCLSA-N 1 1 343.387 1.958 20 5 EDBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000187466344 530000617 /nfs/dbraw/zinc/00/06/17/530000617.db2.gz HWLZYKJSZFERCI-AWEZNQCLSA-N 1 1 343.387 1.958 20 5 EDBDMO O=Cc1ccc(OCC(=O)N2CCC[N@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000068323400 215300139 /nfs/dbraw/zinc/30/01/39/215300139.db2.gz KBEHFMWGXWSDKL-UHFFFAOYSA-N 1 1 347.371 1.483 20 5 EDBDMO CC[NH+]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000562272560 306293791 /nfs/dbraw/zinc/29/37/91/306293791.db2.gz IVHWYQCMBNQETA-UHFFFAOYSA-N 1 1 345.403 1.966 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000065867831 138174734 /nfs/dbraw/zinc/17/47/34/138174734.db2.gz MFMUWYKQMKLWAP-ZDUSSCGKSA-N 1 1 337.424 1.871 20 5 EDBDMO COc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000090458592 138278465 /nfs/dbraw/zinc/27/84/65/138278465.db2.gz AFAUCWUNCKBUBR-KGLIPLIRSA-N 1 1 349.387 1.587 20 5 EDBDMO COc1ccc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000090458592 138278466 /nfs/dbraw/zinc/27/84/66/138278466.db2.gz AFAUCWUNCKBUBR-KGLIPLIRSA-N 1 1 349.387 1.587 20 5 EDBDMO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000130293137 138340580 /nfs/dbraw/zinc/34/05/80/138340580.db2.gz OEPAPUACVAPBDZ-UHFFFAOYSA-N 1 1 344.375 1.150 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000055240974 201133433 /nfs/dbraw/zinc/13/34/33/201133433.db2.gz PSYFEVWAKXPNEG-LLVKDONJSA-N 1 1 345.396 1.744 20 5 EDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000104748011 204118819 /nfs/dbraw/zinc/11/88/19/204118819.db2.gz IUDFTFPCKRWHFG-SNVBAGLBSA-N 1 1 347.824 1.820 20 5 EDBDMO CCOCC[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000105790913 204157795 /nfs/dbraw/zinc/15/77/95/204157795.db2.gz XBIABNJHTZFRFB-UHFFFAOYSA-N 1 1 325.394 1.463 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000105168773 204136255 /nfs/dbraw/zinc/13/62/55/204136255.db2.gz HQAMRYQFVUEDII-NSHDSACASA-N 1 1 336.392 1.885 20 5 EDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000106395113 204193198 /nfs/dbraw/zinc/19/31/98/204193198.db2.gz GBPGJDKNJKGXRQ-LBPRGKRZSA-N 1 1 341.795 1.777 20 5 EDBDMO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000111599700 204363118 /nfs/dbraw/zinc/36/31/18/204363118.db2.gz MMFZASWZROSHHB-JTQLQIEISA-N 1 1 344.371 1.649 20 5 EDBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000156708072 205115605 /nfs/dbraw/zinc/11/56/05/205115605.db2.gz MXSWSDJTWUHUIR-UHFFFAOYSA-N 1 1 327.304 1.319 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000156635399 206091154 /nfs/dbraw/zinc/09/11/54/206091154.db2.gz XIXCUWCZWPUFLW-YPMHNXCESA-N 1 1 329.360 1.568 20 5 EDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000156635399 206091159 /nfs/dbraw/zinc/09/11/59/206091159.db2.gz XIXCUWCZWPUFLW-YPMHNXCESA-N 1 1 329.360 1.568 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000156635399 206091164 /nfs/dbraw/zinc/09/11/64/206091164.db2.gz XIXCUWCZWPUFLW-YPMHNXCESA-N 1 1 329.360 1.568 20 5 EDBDMO Cn1cc(C[N@H+]2CC[C@@H](C(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157080675 206115228 /nfs/dbraw/zinc/11/52/28/206115228.db2.gz UWMRTQIIBORWIU-GFCCVEGCSA-N 1 1 329.360 1.303 20 5 EDBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@H]1c1ccccc1 ZINC000246000281 139092122 /nfs/dbraw/zinc/09/21/22/139092122.db2.gz YCQKUUWEULTMGZ-LSDHHAIUSA-N 1 1 342.355 1.871 20 5 EDBDMO C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247295821 139144025 /nfs/dbraw/zinc/14/40/25/139144025.db2.gz FGGGVRFUOQNUQB-BLLLJJGKSA-N 1 1 343.387 1.973 20 5 EDBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000261636848 139213260 /nfs/dbraw/zinc/21/32/60/139213260.db2.gz BSSIGJBGUSKMJA-HNNXBMFYSA-N 1 1 343.387 1.434 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491508308 255127338 /nfs/dbraw/zinc/12/73/38/255127338.db2.gz WYWQUWZVHSVHAC-WAVCKPEOSA-N 1 1 333.388 1.835 20 5 EDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000493456336 255209665 /nfs/dbraw/zinc/20/96/65/255209665.db2.gz QSPHELVRWDNQPG-FSNWXROXSA-N 1 1 333.388 1.571 20 5 EDBDMO COC(=O)C(C)(C)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000494430889 255250582 /nfs/dbraw/zinc/25/05/82/255250582.db2.gz NZGORVUFHGHBRE-UHFFFAOYSA-N 1 1 335.404 1.707 20 5 EDBDMO O=C1OCCN1C[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000496033311 255344403 /nfs/dbraw/zinc/34/44/03/255344403.db2.gz AIOBGTMXEWZVAC-GFCCVEGCSA-N 1 1 345.359 1.676 20 5 EDBDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000496033311 255344404 /nfs/dbraw/zinc/34/44/04/255344404.db2.gz AIOBGTMXEWZVAC-GFCCVEGCSA-N 1 1 345.359 1.676 20 5 EDBDMO COc1ccc(CNC(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000264273280 139392167 /nfs/dbraw/zinc/39/21/67/139392167.db2.gz HVICGSRAFGMFRD-UHFFFAOYSA-N 1 1 334.376 1.593 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270900765 140194207 /nfs/dbraw/zinc/19/42/07/140194207.db2.gz JJRPELAUJHYTRA-UHFFFAOYSA-N 1 1 344.375 1.342 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270900765 140194209 /nfs/dbraw/zinc/19/42/09/140194209.db2.gz JJRPELAUJHYTRA-UHFFFAOYSA-N 1 1 344.375 1.342 20 5 EDBDMO C[N@@H+]1CC=C(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000272029729 140389868 /nfs/dbraw/zinc/38/98/68/140389868.db2.gz WILCYKRAWKKRLT-UHFFFAOYSA-N 1 1 341.371 1.772 20 5 EDBDMO Cc1n[nH]c(C(=O)N2CCC[C@@H](Cc3nccn3C)C2)c1[N+](=O)[O-] ZINC000331454856 141032371 /nfs/dbraw/zinc/03/23/71/141032371.db2.gz ZVWVDQMIOQVRON-NSHDSACASA-N 1 1 332.364 1.455 20 5 EDBDMO Cc1noc([C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000346249916 143183508 /nfs/dbraw/zinc/18/35/08/143183508.db2.gz XXYIHUZPJHPAMT-STQMWFEESA-N 1 1 348.359 1.515 20 5 EDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000347070934 143278944 /nfs/dbraw/zinc/27/89/44/143278944.db2.gz DUHYPBYKSHOOSB-TZMCWYRMSA-N 1 1 343.387 1.894 20 5 EDBDMO CNc1c(C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000347228957 143297565 /nfs/dbraw/zinc/29/75/65/143297565.db2.gz ZRYHCNNGLRHVKG-WCQYABFASA-N 1 1 336.392 1.164 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]1C ZINC000347232068 143297908 /nfs/dbraw/zinc/29/79/08/143297908.db2.gz YNEGSOOCFXBEOI-WCQYABFASA-N 1 1 335.360 1.725 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]1C ZINC000347232068 143297909 /nfs/dbraw/zinc/29/79/09/143297909.db2.gz YNEGSOOCFXBEOI-WCQYABFASA-N 1 1 335.360 1.725 20 5 EDBDMO CCOc1ccc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000347765677 143360315 /nfs/dbraw/zinc/36/03/15/143360315.db2.gz ABHGOVHUDIZCIW-ZBFHGGJFSA-N 1 1 349.387 1.539 20 5 EDBDMO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000348004079 143390222 /nfs/dbraw/zinc/39/02/22/143390222.db2.gz LGQJTWRYRTZLQA-GOEBONIOSA-N 1 1 349.387 1.626 20 5 EDBDMO Cc1ccc(N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000365812231 292132194 /nfs/dbraw/zinc/13/21/94/292132194.db2.gz DOEVFWXMWOAWSJ-HNNXBMFYSA-N 1 1 346.431 1.894 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3C)[C@@H]2C1 ZINC000355308725 150209340 /nfs/dbraw/zinc/20/93/40/150209340.db2.gz BRCLMXGJPQICTK-CVEARBPZSA-N 1 1 333.388 1.838 20 5 EDBDMO COc1ccc(CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355417348 150259668 /nfs/dbraw/zinc/25/96/68/150259668.db2.gz JILDHIYEBJAOSD-LBPRGKRZSA-N 1 1 336.392 1.839 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000355745363 150383147 /nfs/dbraw/zinc/38/31/47/150383147.db2.gz ZTXJENOWKIABEU-RHSMWYFYSA-N 1 1 346.431 1.974 20 5 EDBDMO CS(=O)(=O)c1ccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000357585291 151075292 /nfs/dbraw/zinc/07/52/92/151075292.db2.gz VDLRVRGMUPODOS-SECBINFHSA-N 1 1 336.373 1.691 20 5 EDBDMO CS(=O)(=O)c1ccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000357585291 151075295 /nfs/dbraw/zinc/07/52/95/151075295.db2.gz VDLRVRGMUPODOS-SECBINFHSA-N 1 1 336.373 1.691 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000370079633 155314633 /nfs/dbraw/zinc/31/46/33/155314633.db2.gz FPENMLCAZSYTFV-XJKCOSOUSA-N 1 1 332.404 1.948 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000360746770 152183756 /nfs/dbraw/zinc/18/37/56/152183756.db2.gz QCZKHWANJMMDLM-OLZOCXBDSA-N 1 1 341.433 1.910 20 5 EDBDMO CCC[N@H+]1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000360962645 152265553 /nfs/dbraw/zinc/26/55/53/152265553.db2.gz PKDRMBQYIYPSHF-UHFFFAOYSA-N 1 1 349.387 1.730 20 5 EDBDMO C[NH+]1CCC(CNc2ccncc2[N+](=O)[O-])(N2CCCCC2)CC1 ZINC000361001014 152275925 /nfs/dbraw/zinc/27/59/25/152275925.db2.gz DOOVYNISFQOPPO-UHFFFAOYSA-N 1 1 333.436 1.774 20 5 EDBDMO COCCC[N@H+]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000363633099 153017658 /nfs/dbraw/zinc/01/76/58/153017658.db2.gz AQPSKBMUASTJNI-UHFFFAOYSA-N 1 1 339.367 1.918 20 5 EDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 ZINC000364577799 153277100 /nfs/dbraw/zinc/27/71/00/153277100.db2.gz VWHKASASAUBCMI-BBRMVZONSA-N 1 1 341.371 1.808 20 5 EDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000364938838 153377206 /nfs/dbraw/zinc/37/72/06/153377206.db2.gz WLOMZVNBCWZSEL-HSBSLETESA-N 1 1 333.388 1.523 20 5 EDBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000364943314 153377871 /nfs/dbraw/zinc/37/78/71/153377871.db2.gz KZBIEMRGLJDEEN-CQSZACIVSA-N 1 1 327.406 1.417 20 5 EDBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000364943314 153377873 /nfs/dbraw/zinc/37/78/73/153377873.db2.gz KZBIEMRGLJDEEN-CQSZACIVSA-N 1 1 327.406 1.417 20 5 EDBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000374002422 157102553 /nfs/dbraw/zinc/10/25/53/157102553.db2.gz LGLWOVNAOCCCPI-VEDBGLOESA-N 1 1 329.400 1.963 20 5 EDBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000374002422 157102554 /nfs/dbraw/zinc/10/25/54/157102554.db2.gz LGLWOVNAOCCCPI-VEDBGLOESA-N 1 1 329.400 1.963 20 5 EDBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000374002422 157102560 /nfs/dbraw/zinc/10/25/60/157102560.db2.gz LGLWOVNAOCCCPI-VEDBGLOESA-N 1 1 329.400 1.963 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374520881 157316521 /nfs/dbraw/zinc/31/65/21/157316521.db2.gz OGQKLZVNLPBFAK-QGZVFWFLSA-N 1 1 330.388 1.854 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374520881 157316523 /nfs/dbraw/zinc/31/65/23/157316523.db2.gz OGQKLZVNLPBFAK-QGZVFWFLSA-N 1 1 330.388 1.854 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCC(CCN3CCOCC3)CC2)c1 ZINC000377933619 158032424 /nfs/dbraw/zinc/03/24/24/158032424.db2.gz WGVOYRGZKPOQKN-UHFFFAOYSA-N 1 1 337.424 1.226 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000378450308 158178127 /nfs/dbraw/zinc/17/81/27/158178127.db2.gz OWFHKSAMLDCPLI-WFASDCNBSA-N 1 1 346.387 1.394 20 5 EDBDMO COCCC[N@H+]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000378544861 158205420 /nfs/dbraw/zinc/20/54/20/158205420.db2.gz TZOYXBMKPBVBLP-UHFFFAOYSA-N 1 1 336.392 1.361 20 5 EDBDMO COC[C@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000352227748 162060562 /nfs/dbraw/zinc/06/05/62/162060562.db2.gz QCMGJFQWYUYXLV-LBPRGKRZSA-N 1 1 335.360 1.861 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000352513181 162221594 /nfs/dbraw/zinc/22/15/94/162221594.db2.gz VQXASWPJRNLRIK-ZDUSSCGKSA-N 1 1 327.406 1.748 20 5 EDBDMO C[N@@H+](CCOc1ccccc1F)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090511929 287330671 /nfs/dbraw/zinc/33/06/71/287330671.db2.gz XLNQPGFJLYTWOH-UHFFFAOYSA-N 1 1 335.335 1.906 20 5 EDBDMO CNS(=O)(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000273474091 268047076 /nfs/dbraw/zinc/04/70/76/268047076.db2.gz SMPIKUVLIFCPOC-UHFFFAOYSA-N 1 1 327.406 1.417 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273525147 268058114 /nfs/dbraw/zinc/05/81/14/268058114.db2.gz XMVIMMAWRLZQDD-JOYOIKCWSA-N 1 1 340.405 1.137 20 5 EDBDMO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000273623815 268067525 /nfs/dbraw/zinc/06/75/25/268067525.db2.gz RBBOBQHQIRMHDQ-KOLCDFICSA-N 1 1 338.389 1.845 20 5 EDBDMO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2nncn2C)c([N+](=O)[O-])c1 ZINC000274098735 268105939 /nfs/dbraw/zinc/10/59/39/268105939.db2.gz UQRXKFNVXPDATI-SNVBAGLBSA-N 1 1 348.363 1.411 20 5 EDBDMO COc1cc(C[NH2+]CC2(C)OCCCO2)c([N+](=O)[O-])cc1OC ZINC000277138332 273183094 /nfs/dbraw/zinc/18/30/94/273183094.db2.gz DJWYORQVDOMESU-UHFFFAOYSA-N 1 1 326.349 1.855 20 5 EDBDMO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccco1 ZINC000279225053 273285828 /nfs/dbraw/zinc/28/58/28/273285828.db2.gz OEBMUYLXFDBPSM-CYBMUJFWSA-N 1 1 336.323 1.942 20 5 EDBDMO Cc1c(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000280576521 273373232 /nfs/dbraw/zinc/37/32/32/273373232.db2.gz YCNJDEVVQRNBSF-UHFFFAOYSA-N 1 1 332.360 1.220 20 5 EDBDMO Cc1c(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000280576521 273373233 /nfs/dbraw/zinc/37/32/33/273373233.db2.gz YCNJDEVVQRNBSF-UHFFFAOYSA-N 1 1 332.360 1.220 20 5 EDBDMO CCC(=O)c1ccc(NCC(=O)N2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC000280785500 273398018 /nfs/dbraw/zinc/39/80/18/273398018.db2.gz UAGLZBNEKPQKLV-UHFFFAOYSA-N 1 1 348.403 1.764 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[N@H+]([C@H](C)CO)CC2)c1 ZINC000345029360 274003938 /nfs/dbraw/zinc/00/39/38/274003938.db2.gz JYZSMCIOMMBASS-GFCCVEGCSA-N 1 1 337.376 1.274 20 5 EDBDMO COCC[N@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1C ZINC000357321219 274032637 /nfs/dbraw/zinc/03/26/37/274032637.db2.gz FTGMVOGSNKAFOM-LBPRGKRZSA-N 1 1 331.376 1.695 20 5 EDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000255078203 287829258 /nfs/dbraw/zinc/82/92/58/287829258.db2.gz KOSPIBAEJACDPT-AFCDSYGPSA-N 1 1 345.399 1.931 20 5 EDBDMO Cn1c(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000345072518 277204170 /nfs/dbraw/zinc/20/41/70/277204170.db2.gz WWOINCJYJGEBAM-KBPBESRZSA-N 1 1 328.372 1.761 20 5 EDBDMO Cc1nn(C)c(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000286808052 288093464 /nfs/dbraw/zinc/09/34/64/288093464.db2.gz VSJBFEAWHQICCU-HNNXBMFYSA-N 1 1 329.404 2.000 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@H](C)C1 ZINC000286789977 288088026 /nfs/dbraw/zinc/08/80/26/288088026.db2.gz JQXOKSDTOQKOGZ-GHMZBOCLSA-N 1 1 347.375 1.135 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000286903547 288114933 /nfs/dbraw/zinc/11/49/33/288114933.db2.gz LVSZKCRZABCKSG-IUODEOHRSA-N 1 1 328.340 1.131 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000286903547 288114937 /nfs/dbraw/zinc/11/49/37/288114937.db2.gz LVSZKCRZABCKSG-IUODEOHRSA-N 1 1 328.340 1.131 20 5 EDBDMO Cc1c(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000127141800 280213610 /nfs/dbraw/zinc/21/36/10/280213610.db2.gz UECVOMADLZCPQM-AOOOYVTPSA-N 1 1 336.348 1.976 20 5 EDBDMO Cc1c(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000127141800 280213613 /nfs/dbraw/zinc/21/36/13/280213613.db2.gz UECVOMADLZCPQM-AOOOYVTPSA-N 1 1 336.348 1.976 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+](C)C2CC2)c1C ZINC000268836204 281015851 /nfs/dbraw/zinc/01/58/51/281015851.db2.gz GQGOBKAGXGEKOJ-UHFFFAOYSA-N 1 1 327.406 1.584 20 5 EDBDMO CCOc1cc(CN2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000292123919 289267128 /nfs/dbraw/zinc/26/71/28/289267128.db2.gz ATJIDWPFDOWXGM-UKRRQHHQSA-N 1 1 337.420 1.880 20 5 EDBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000295569679 303236305 /nfs/dbraw/zinc/23/63/05/303236305.db2.gz VBNIYPASXPGDRJ-CYBMUJFWSA-N 1 1 347.371 1.918 20 5 EDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1)C1CC1 ZINC000295760468 303263038 /nfs/dbraw/zinc/26/30/38/303263038.db2.gz ASFSYCANQUXFGL-GFCCVEGCSA-N 1 1 335.339 1.448 20 5 EDBDMO NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000366291040 303345137 /nfs/dbraw/zinc/34/51/37/303345137.db2.gz LYIFZWMJNLGXMF-HIFRSBDPSA-N 1 1 348.403 1.749 20 5 EDBDMO COCC[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301076880 303659796 /nfs/dbraw/zinc/65/97/96/303659796.db2.gz HOGNNYNUNNJTIF-UHFFFAOYSA-N 1 1 333.348 1.012 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302441106 303723050 /nfs/dbraw/zinc/72/30/50/303723050.db2.gz QMUXWXFTYXCMGL-JTQLQIEISA-N 1 1 331.319 1.699 20 5 EDBDMO C[C@H]1[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC[N@H+]1C ZINC000445252984 305258401 /nfs/dbraw/zinc/25/84/01/305258401.db2.gz SOLWLKTXEQFIEW-JQWIXIFHSA-N 1 1 346.391 1.753 20 5 EDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451247741 305335332 /nfs/dbraw/zinc/33/53/32/305335332.db2.gz ACOCZMKBUSPKQO-DZGCQCFKSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000452113958 305383509 /nfs/dbraw/zinc/38/35/09/305383509.db2.gz JBLMPODKMHJXJQ-GFCCVEGCSA-N 1 1 347.375 1.143 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000452113958 305383510 /nfs/dbraw/zinc/38/35/10/305383510.db2.gz JBLMPODKMHJXJQ-GFCCVEGCSA-N 1 1 347.375 1.143 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000046035113 441071315 /nfs/dbraw/zinc/07/13/15/441071315.db2.gz PMUVFCCHGVPIGQ-LBPRGKRZSA-N 1 1 327.406 1.605 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046036558 441072589 /nfs/dbraw/zinc/07/25/89/441072589.db2.gz GJVPDLMHJIODIA-CHWSQXEVSA-N 1 1 339.417 1.808 20 5 EDBDMO COCC[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000012348959 441131354 /nfs/dbraw/zinc/13/13/54/441131354.db2.gz MQNVOVREMXPMOT-UHFFFAOYSA-N 1 1 337.376 1.225 20 5 EDBDMO C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N@@H+](C)C1CC1 ZINC000057705955 441127877 /nfs/dbraw/zinc/12/78/77/441127877.db2.gz LBMXZFJZINAIRX-LBPRGKRZSA-N 1 1 343.387 1.993 20 5 EDBDMO CN(CC[NH+](C)C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000080684818 441188744 /nfs/dbraw/zinc/18/87/44/441188744.db2.gz NIDBETBBJDYVRE-UHFFFAOYSA-N 1 1 337.348 1.589 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000063466890 441330960 /nfs/dbraw/zinc/33/09/60/441330960.db2.gz KSNCEMZYUNOQST-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO CCOc1ccc(C(=O)NCc2c[nH+]c(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000074095119 441391136 /nfs/dbraw/zinc/39/11/36/441391136.db2.gz XVVLMYMSFBMJEI-UHFFFAOYSA-N 1 1 347.375 1.723 20 5 EDBDMO Cc1cc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000052161236 441436721 /nfs/dbraw/zinc/43/67/21/441436721.db2.gz ZBYALOMPZZYKCT-UHFFFAOYSA-N 1 1 346.431 1.894 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000108329724 441445568 /nfs/dbraw/zinc/44/55/68/441445568.db2.gz ZBYANYDIBIEJCE-LBPRGKRZSA-N 1 1 344.375 1.247 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000065910490 441493897 /nfs/dbraw/zinc/49/38/97/441493897.db2.gz UVLARPOTGPCVAY-UHFFFAOYSA-N 1 1 337.424 1.823 20 5 EDBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000108406605 441452869 /nfs/dbraw/zinc/45/28/69/441452869.db2.gz IDFPLMCIGDOMIG-LBPRGKRZSA-N 1 1 327.406 1.523 20 5 EDBDMO Cc1cc(N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000074747446 441462968 /nfs/dbraw/zinc/46/29/68/441462968.db2.gz QBOHBOODQSQUAX-AWEZNQCLSA-N 1 1 347.419 1.289 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000066149653 441507642 /nfs/dbraw/zinc/50/76/42/441507642.db2.gz PVSAFPMYPUCALA-LLVKDONJSA-N 1 1 325.413 1.645 20 5 EDBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000112921622 441568911 /nfs/dbraw/zinc/56/89/11/441568911.db2.gz VIPDKPMDDYKYEC-UHFFFAOYSA-N 1 1 334.420 1.693 20 5 EDBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000112921622 441568915 /nfs/dbraw/zinc/56/89/15/441568915.db2.gz VIPDKPMDDYKYEC-UHFFFAOYSA-N 1 1 334.420 1.693 20 5 EDBDMO COC[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000112987193 441575480 /nfs/dbraw/zinc/57/54/80/441575480.db2.gz HZUKHRRUNRKNHB-ZDUSSCGKSA-N 1 1 333.388 1.842 20 5 EDBDMO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000089932864 441599126 /nfs/dbraw/zinc/59/91/26/441599126.db2.gz PSPAZOGDKIIHSN-JSGCOSHPSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000089932864 441599130 /nfs/dbraw/zinc/59/91/30/441599130.db2.gz PSPAZOGDKIIHSN-JSGCOSHPSA-N 1 1 333.388 1.577 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000067191652 441616027 /nfs/dbraw/zinc/61/60/27/441616027.db2.gz LNOVZVVOFXWJLV-UHFFFAOYSA-N 1 1 335.360 1.534 20 5 EDBDMO COCCCOCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000091102823 441660892 /nfs/dbraw/zinc/66/08/92/441660892.db2.gz HSSPTLMQYZPQBZ-ZDUSSCGKSA-N 1 1 339.392 1.907 20 5 EDBDMO COCCCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000091102823 441660896 /nfs/dbraw/zinc/66/08/96/441660896.db2.gz HSSPTLMQYZPQBZ-ZDUSSCGKSA-N 1 1 339.392 1.907 20 5 EDBDMO COC(=O)CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000114476138 441661631 /nfs/dbraw/zinc/66/16/31/441661631.db2.gz UCIAPBBKGKGXAQ-UHFFFAOYSA-N 1 1 337.376 1.831 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000067978722 441704756 /nfs/dbraw/zinc/70/47/56/441704756.db2.gz GVBMIDCZSWSAMF-CQSZACIVSA-N 1 1 334.376 1.442 20 5 EDBDMO O=c1[nH]cnc2cc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c([N+](=O)[O-])cc21 ZINC000091479821 441705580 /nfs/dbraw/zinc/70/55/80/441705580.db2.gz QFJWOEAYFXDFIY-JTQLQIEISA-N 1 1 340.343 1.938 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000173412271 441739584 /nfs/dbraw/zinc/73/95/84/441739584.db2.gz QHADARKLMSSRIM-ZDUSSCGKSA-N 1 1 327.406 1.618 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000173412271 441739590 /nfs/dbraw/zinc/73/95/90/441739590.db2.gz QHADARKLMSSRIM-ZDUSSCGKSA-N 1 1 327.406 1.618 20 5 EDBDMO CC[NH+]1CCN(C(=O)CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000122797868 441864085 /nfs/dbraw/zinc/86/40/85/441864085.db2.gz HEDKNLAFBKTXET-UHFFFAOYSA-N 1 1 327.772 1.219 20 5 EDBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000124169304 441909974 /nfs/dbraw/zinc/90/99/74/441909974.db2.gz MYCSTFIDYOYBIR-AWEZNQCLSA-N 1 1 343.387 1.912 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000078359993 441924257 /nfs/dbraw/zinc/92/42/57/441924257.db2.gz BKZVVMOJLFFCQK-GFCCVEGCSA-N 1 1 349.387 1.970 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000174028791 441880680 /nfs/dbraw/zinc/88/06/80/441880680.db2.gz SWJAIUCLCWJBMY-NSHDSACASA-N 1 1 345.396 1.696 20 5 EDBDMO C[C@H]1C[C@@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123334937 441884577 /nfs/dbraw/zinc/88/45/77/441884577.db2.gz HCHKIESEWCFPQD-BBRMVZONSA-N 1 1 334.420 1.972 20 5 EDBDMO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000069129526 441896216 /nfs/dbraw/zinc/89/62/16/441896216.db2.gz LWGXIYMXXNCCIS-SNVBAGLBSA-N 1 1 343.405 1.364 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1C ZINC000069128973 441896276 /nfs/dbraw/zinc/89/62/76/441896276.db2.gz CRTYWZIJGVTBNA-LBPRGKRZSA-N 1 1 341.433 1.973 20 5 EDBDMO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000124458774 441929456 /nfs/dbraw/zinc/92/94/56/441929456.db2.gz MOMXZISIEPEFTO-ZDUSSCGKSA-N 1 1 333.385 1.776 20 5 EDBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000162435721 442094251 /nfs/dbraw/zinc/09/42/51/442094251.db2.gz FMVCDELWYSULBZ-CYBMUJFWSA-N 1 1 341.433 1.399 20 5 EDBDMO CC[N@@H+](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000151475531 442068413 /nfs/dbraw/zinc/06/84/13/442068413.db2.gz LFOYVKHQSMWPMC-UHFFFAOYSA-N 1 1 332.404 1.728 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000151851345 442128988 /nfs/dbraw/zinc/12/89/88/442128988.db2.gz KHAJFQBGDGYITK-DGCLKSJQSA-N 1 1 346.387 1.583 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)n1 ZINC000152221903 442184156 /nfs/dbraw/zinc/18/41/56/442184156.db2.gz HWVHNYPIYNVBHS-LBPRGKRZSA-N 1 1 331.380 1.666 20 5 EDBDMO COc1cccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000176192641 442187819 /nfs/dbraw/zinc/18/78/19/442187819.db2.gz FEFDMZYUUAPNJX-UHFFFAOYSA-N 1 1 331.376 1.622 20 5 EDBDMO C[C@H](c1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000152920625 442251251 /nfs/dbraw/zinc/25/12/51/442251251.db2.gz UMYHBQOBJQAWKH-LLVKDONJSA-N 1 1 345.359 1.963 20 5 EDBDMO CNC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000170791985 442265331 /nfs/dbraw/zinc/26/53/31/442265331.db2.gz PKKXMBQWPDPAPA-VIFPVBQESA-N 1 1 342.783 1.643 20 5 EDBDMO CNC(=O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000170791985 442265333 /nfs/dbraw/zinc/26/53/33/442265333.db2.gz PKKXMBQWPDPAPA-VIFPVBQESA-N 1 1 342.783 1.643 20 5 EDBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171720048 442374483 /nfs/dbraw/zinc/37/44/83/442374483.db2.gz FCSWRNILUWMSSJ-CYBMUJFWSA-N 1 1 335.408 1.030 20 5 EDBDMO C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N@@H+](C)C1CC1 ZINC000132332118 442391460 /nfs/dbraw/zinc/39/14/60/442391460.db2.gz VKRRQHMQRVPOLT-GFCCVEGCSA-N 1 1 343.387 1.993 20 5 EDBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000155831792 442430480 /nfs/dbraw/zinc/43/04/80/442430480.db2.gz SWWFNFJKRDTWKS-GFCCVEGCSA-N 1 1 339.367 1.361 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178640872 442451324 /nfs/dbraw/zinc/45/13/24/442451324.db2.gz NBKSSQBREMDCLR-TZMCWYRMSA-N 1 1 348.403 1.710 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000134436764 442483341 /nfs/dbraw/zinc/48/33/41/442483341.db2.gz IPLVRBBTGOVVMJ-AWEZNQCLSA-N 1 1 339.392 1.881 20 5 EDBDMO C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000186738855 442603447 /nfs/dbraw/zinc/60/34/47/442603447.db2.gz MWLJCTJGPOCMOL-NSHDSACASA-N 1 1 337.380 1.299 20 5 EDBDMO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000173272516 442639050 /nfs/dbraw/zinc/63/90/50/442639050.db2.gz KLBYEHJKEMFTNV-SWLSCSKDSA-N 1 1 341.433 1.839 20 5 EDBDMO O=C1CCc2cc([N+](=O)[O-])c(NCC[N@H+]3CCCOCC3)cc2N1 ZINC000188492690 442755915 /nfs/dbraw/zinc/75/59/15/442755915.db2.gz HIXYDDYTYNVGMJ-UHFFFAOYSA-N 1 1 334.376 1.614 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000182214305 442745965 /nfs/dbraw/zinc/74/59/65/442745965.db2.gz RXWYHLXNCKYMEW-YCPHGPKFSA-N 1 1 336.388 1.978 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000182214305 442745968 /nfs/dbraw/zinc/74/59/68/442745968.db2.gz RXWYHLXNCKYMEW-YCPHGPKFSA-N 1 1 336.388 1.978 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]2C1 ZINC000193601630 442758303 /nfs/dbraw/zinc/75/83/03/442758303.db2.gz FOOYHSNTJQHPGY-BETUJISGSA-N 1 1 329.360 1.638 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268163061 442878210 /nfs/dbraw/zinc/87/82/10/442878210.db2.gz OBOMHDHHBKCKCP-RISCZKNCSA-N 1 1 339.417 1.664 20 5 EDBDMO CCOC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000194739568 442945718 /nfs/dbraw/zinc/94/57/18/442945718.db2.gz IVXTUSJIKLYRTC-ZDUSSCGKSA-N 1 1 335.360 1.596 20 5 EDBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000194744155 442946711 /nfs/dbraw/zinc/94/67/11/442946711.db2.gz REDJIPPHOLGOIG-ZDUSSCGKSA-N 1 1 329.360 1.605 20 5 EDBDMO COCCO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000189727863 442998501 /nfs/dbraw/zinc/99/85/01/442998501.db2.gz FQHJKOPGWNAUBU-CYBMUJFWSA-N 1 1 337.376 1.661 20 5 EDBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000189466736 442961584 /nfs/dbraw/zinc/96/15/84/442961584.db2.gz LTKJCDJFBASWAY-UHFFFAOYSA-N 1 1 327.768 1.700 20 5 EDBDMO O=C(NCC[N@H+]1CCCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000189466736 442961589 /nfs/dbraw/zinc/96/15/89/442961589.db2.gz LTKJCDJFBASWAY-UHFFFAOYSA-N 1 1 327.768 1.700 20 5 EDBDMO O=c1cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c2c(ccc3ccccc32)o1 ZINC000249377321 442970056 /nfs/dbraw/zinc/97/00/56/442970056.db2.gz YRKXDAWYZSSBTP-LSDHHAIUSA-N 1 1 325.364 1.874 20 5 EDBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCCC[N@@H+]1CCC[C@H]1CO ZINC000255516810 443100993 /nfs/dbraw/zinc/10/09/93/443100993.db2.gz OLRSPCGDSVJJHD-YDZSZYSISA-N 1 1 347.415 1.961 20 5 EDBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000268763409 443101241 /nfs/dbraw/zinc/10/12/41/443101241.db2.gz ARLYGUCAWHLBSF-NOZJJQNGSA-N 1 1 343.380 1.495 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000268763409 443101245 /nfs/dbraw/zinc/10/12/45/443101245.db2.gz ARLYGUCAWHLBSF-NOZJJQNGSA-N 1 1 343.380 1.495 20 5 EDBDMO Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ncc1[N+](=O)[O-] ZINC000268807483 443115148 /nfs/dbraw/zinc/11/51/48/443115148.db2.gz GFRLBMGRMKFKCX-CYBMUJFWSA-N 1 1 333.392 1.041 20 5 EDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc2C1 ZINC000266507306 443150256 /nfs/dbraw/zinc/15/02/56/443150256.db2.gz CFZPCSGYZWLGSV-WBVHZDCISA-N 1 1 330.388 1.642 20 5 EDBDMO COc1cc(C[N@@H+](C)C2(CO)CCOCC2)c([N+](=O)[O-])cc1F ZINC000191001869 443223408 /nfs/dbraw/zinc/22/34/08/443223408.db2.gz RENWLVLRDAIHEW-UHFFFAOYSA-N 1 1 328.340 1.716 20 5 EDBDMO CCc1[nH]nc(-c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)c1[N+](=O)[O-] ZINC000351260612 319098737 /nfs/dbraw/zinc/09/87/37/319098737.db2.gz DMZHNVZNYGKWQT-PSASIEDQSA-N 1 1 334.336 1.466 20 5 EDBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246057542 443264007 /nfs/dbraw/zinc/26/40/07/443264007.db2.gz AOVSGPXCUXVOLA-CHWSQXEVSA-N 1 1 330.410 1.079 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246057542 443264011 /nfs/dbraw/zinc/26/40/11/443264011.db2.gz AOVSGPXCUXVOLA-CHWSQXEVSA-N 1 1 330.410 1.079 20 5 EDBDMO Cn1cccc1[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266950300 443300402 /nfs/dbraw/zinc/30/04/02/443300402.db2.gz UCHGYYGVJQTFBR-HOCLYGCPSA-N 1 1 333.392 1.718 20 5 EDBDMO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000272488610 443336286 /nfs/dbraw/zinc/33/62/86/443336286.db2.gz HLVHGMXXWPWTGV-SNVBAGLBSA-N 1 1 333.373 1.520 20 5 EDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000264601242 443342248 /nfs/dbraw/zinc/34/22/48/443342248.db2.gz CPPRLFRTNIYMFG-CYBMUJFWSA-N 1 1 332.404 1.997 20 5 EDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCOCCO ZINC000282576836 443379771 /nfs/dbraw/zinc/37/97/71/443379771.db2.gz UMYLJDLQUBKIAR-LLVKDONJSA-N 1 1 336.348 1.647 20 5 EDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCOCCO ZINC000282576836 443379775 /nfs/dbraw/zinc/37/97/75/443379775.db2.gz UMYLJDLQUBKIAR-LLVKDONJSA-N 1 1 336.348 1.647 20 5 EDBDMO CNC(=O)CCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272546958 443359369 /nfs/dbraw/zinc/35/93/69/443359369.db2.gz QHDBYBYKFIAOHP-HNNXBMFYSA-N 1 1 331.376 1.534 20 5 EDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCNC1=O ZINC000282524156 443363437 /nfs/dbraw/zinc/36/34/37/443363437.db2.gz YLLQIXSWPLBYDS-CQSZACIVSA-N 1 1 334.376 1.442 20 5 EDBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000278716487 443411956 /nfs/dbraw/zinc/41/19/56/443411956.db2.gz PBNSRHGJCMEYHM-PBHICJAKSA-N 1 1 338.404 1.749 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000278666936 443395881 /nfs/dbraw/zinc/39/58/81/443395881.db2.gz NPGDYNXQQUYDMO-WDEREUQCSA-N 1 1 340.355 1.653 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000278666936 443395886 /nfs/dbraw/zinc/39/58/86/443395886.db2.gz NPGDYNXQQUYDMO-WDEREUQCSA-N 1 1 340.355 1.653 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000278679658 443400510 /nfs/dbraw/zinc/40/05/10/443400510.db2.gz UIPKZTHYTJUREI-CQSZACIVSA-N 1 1 335.404 1.754 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@H]2C1 ZINC000278696787 443405474 /nfs/dbraw/zinc/40/54/74/443405474.db2.gz IAPLQMLDMXLMHI-DTORHVGOSA-N 1 1 327.182 1.750 20 5 EDBDMO Cc1cc(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n[nH]1 ZINC000272882064 443478047 /nfs/dbraw/zinc/47/80/47/443478047.db2.gz CMHVDXLRVDRLGF-UHFFFAOYSA-N 1 1 331.376 1.668 20 5 EDBDMO Cc1cc(C(=O)NCC(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000272791341 443446173 /nfs/dbraw/zinc/44/61/73/443446173.db2.gz AVGXLXYVIGKAJT-CYBMUJFWSA-N 1 1 348.403 1.043 20 5 EDBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000272794734 443447992 /nfs/dbraw/zinc/44/79/92/443447992.db2.gz KCFBTVIDXMLYCK-CQSZACIVSA-N 1 1 344.371 1.420 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000278821054 443452633 /nfs/dbraw/zinc/45/26/33/443452633.db2.gz INLBUYUDHMLMJQ-CYBMUJFWSA-N 1 1 333.388 1.920 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278848564 443460206 /nfs/dbraw/zinc/46/02/06/443460206.db2.gz JZRVHVUCHYVEQH-ZBEGNZNMSA-N 1 1 332.360 1.134 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278848564 443460209 /nfs/dbraw/zinc/46/02/09/443460209.db2.gz JZRVHVUCHYVEQH-ZBEGNZNMSA-N 1 1 332.360 1.134 20 5 EDBDMO C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272259529 443571708 /nfs/dbraw/zinc/57/17/08/443571708.db2.gz MPQHDEQCNPKBPD-LLVKDONJSA-N 1 1 344.293 1.702 20 5 EDBDMO C[NH+]1CCN(CCCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286115186 443649497 /nfs/dbraw/zinc/64/94/97/443649497.db2.gz LYDCBMLJIRXWHF-UHFFFAOYSA-N 1 1 336.421 1.649 20 5 EDBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000276183750 443663708 /nfs/dbraw/zinc/66/37/08/443663708.db2.gz HHYNRJQXXDDTMW-LBPRGKRZSA-N 1 1 329.360 1.582 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000439350544 320045767 /nfs/dbraw/zinc/04/57/67/320045767.db2.gz MYIXHOVTOAZMKC-GFCCVEGCSA-N 1 1 334.376 1.394 20 5 EDBDMO COCCOCCOCC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000276224353 443670642 /nfs/dbraw/zinc/67/06/42/443670642.db2.gz JIIGGASOIOPEDQ-UHFFFAOYSA-N 1 1 342.392 1.585 20 5 EDBDMO CCOc1ccc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000457139056 320320298 /nfs/dbraw/zinc/32/02/98/320320298.db2.gz WPRQOEYVJGXOLQ-LBPRGKRZSA-N 1 1 337.376 1.132 20 5 EDBDMO CCOc1ccc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000457139056 320320299 /nfs/dbraw/zinc/32/02/99/320320299.db2.gz WPRQOEYVJGXOLQ-LBPRGKRZSA-N 1 1 337.376 1.132 20 5 EDBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491561065 320372020 /nfs/dbraw/zinc/37/20/20/320372020.db2.gz IFVPSLCHHNNUMX-DANTVBBOSA-N 1 1 332.404 1.360 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298609809 443815778 /nfs/dbraw/zinc/81/57/78/443815778.db2.gz QTSNFFAMGLLAKD-ZFWWWQNUSA-N 1 1 346.387 1.585 20 5 EDBDMO C[N@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000298676435 443836221 /nfs/dbraw/zinc/83/62/21/443836221.db2.gz RHTLUZMVXKWFGW-UHFFFAOYSA-N 1 1 326.784 1.824 20 5 EDBDMO CNC(=O)c1ccc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000292905873 443875254 /nfs/dbraw/zinc/87/52/54/443875254.db2.gz XBKKMGZIRLYZBU-KRWDZBQOSA-N 1 1 332.404 1.877 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000285336153 443946760 /nfs/dbraw/zinc/94/67/60/443946760.db2.gz YVCLDDHLZYXZID-ZDUSSCGKSA-N 1 1 336.392 1.742 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000298967899 443916093 /nfs/dbraw/zinc/91/60/93/443916093.db2.gz FUQTVNLQOPPZDG-CHWSQXEVSA-N 1 1 347.371 1.723 20 5 EDBDMO C[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)CCc1ccccc1[N+](=O)[O-] ZINC000285444132 443986731 /nfs/dbraw/zinc/98/67/31/443986731.db2.gz XWAYMYWMEFFCJS-UHFFFAOYSA-N 1 1 348.403 1.790 20 5 EDBDMO CCC(CC)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000548082583 320859403 /nfs/dbraw/zinc/85/94/03/320859403.db2.gz UVBLDOHZECSGOP-ZDUSSCGKSA-N 1 1 339.396 1.185 20 5 EDBDMO CN(C)c1ccccc1C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000289108542 444055511 /nfs/dbraw/zinc/05/55/11/444055511.db2.gz VXHLFGJIKQMUQY-OAHLLOKOSA-N 1 1 333.392 1.350 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281851753 444022935 /nfs/dbraw/zinc/02/29/35/444022935.db2.gz NONFGZCFDLENSL-JKSUJKDBSA-N 1 1 347.346 1.704 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281851753 444022936 /nfs/dbraw/zinc/02/29/36/444022936.db2.gz NONFGZCFDLENSL-JKSUJKDBSA-N 1 1 347.346 1.704 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000293581894 444060678 /nfs/dbraw/zinc/06/06/78/444060678.db2.gz YOFJZOYNLSMVAW-JXMROGBWSA-N 1 1 334.420 1.608 20 5 EDBDMO CN(CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000293581894 444060682 /nfs/dbraw/zinc/06/06/82/444060682.db2.gz YOFJZOYNLSMVAW-JXMROGBWSA-N 1 1 334.420 1.608 20 5 EDBDMO CN(CC(=O)N1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000561915616 321044668 /nfs/dbraw/zinc/04/46/68/321044668.db2.gz XPJOOJXYGDNBSQ-UHFFFAOYSA-N 1 1 344.375 1.103 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000285727861 444087544 /nfs/dbraw/zinc/08/75/44/444087544.db2.gz KETHNWZGTRHEFW-JKSUJKDBSA-N 1 1 344.371 1.621 20 5 EDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000562885580 321080771 /nfs/dbraw/zinc/08/07/71/321080771.db2.gz CYSHKJCSDYQMIM-CQSZACIVSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000562885580 321080772 /nfs/dbraw/zinc/08/07/72/321080772.db2.gz CYSHKJCSDYQMIM-CQSZACIVSA-N 1 1 343.387 1.947 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CSC[C@H]1C[N@H+](C)CCO1 ZINC000568748303 321304767 /nfs/dbraw/zinc/30/47/67/321304767.db2.gz JTOSSXWRDXQUGC-CYBMUJFWSA-N 1 1 339.417 1.906 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CSC[C@H]1C[N@@H+](C)CCO1 ZINC000568748303 321304768 /nfs/dbraw/zinc/30/47/68/321304768.db2.gz JTOSSXWRDXQUGC-CYBMUJFWSA-N 1 1 339.417 1.906 20 5 EDBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000568789109 321307310 /nfs/dbraw/zinc/30/73/10/321307310.db2.gz OKLJPNZKYILAEW-UHFFFAOYSA-N 1 1 326.356 1.946 20 5 EDBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285779813 444106399 /nfs/dbraw/zinc/10/63/99/444106399.db2.gz YPOUFYGVLYAGDF-CQSZACIVSA-N 1 1 343.387 1.612 20 5 EDBDMO NC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301378747 444168346 /nfs/dbraw/zinc/16/83/46/444168346.db2.gz XLYVNIQYNCKSEO-TUKIKUTGSA-N 1 1 330.388 1.614 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+](C)CCOCCO)cccc1[N+](=O)[O-] ZINC000282247012 444125907 /nfs/dbraw/zinc/12/59/07/444125907.db2.gz BVGHCHGVNXIGSM-UHFFFAOYSA-N 1 1 325.365 1.173 20 5 EDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000295380156 444181209 /nfs/dbraw/zinc/18/12/09/444181209.db2.gz GWJDPJLJMHVEPD-LBPRGKRZSA-N 1 1 341.795 1.825 20 5 EDBDMO C[N@@H+](C[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000290085690 444240147 /nfs/dbraw/zinc/24/01/47/444240147.db2.gz VKIVPRRYZJHCCE-MRXNPFEDSA-N 1 1 349.431 1.893 20 5 EDBDMO NC(=O)c1ccnc(N2CCC[N@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000290736540 444316940 /nfs/dbraw/zinc/31/69/40/444316940.db2.gz GPTSMFNYISJIEL-UHFFFAOYSA-N 1 1 333.392 1.543 20 5 EDBDMO CC[N@@H+](CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC000297708703 444322125 /nfs/dbraw/zinc/32/21/25/444322125.db2.gz ATPATNXPTCGGDP-UHFFFAOYSA-N 1 1 334.376 1.442 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000290387001 444274616 /nfs/dbraw/zinc/27/46/16/444274616.db2.gz CUSCRKYNVTVKDE-LBPRGKRZSA-N 1 1 348.403 1.648 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000290387001 444274619 /nfs/dbraw/zinc/27/46/19/444274619.db2.gz CUSCRKYNVTVKDE-LBPRGKRZSA-N 1 1 348.403 1.648 20 5 EDBDMO COc1c(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331034897 444368153 /nfs/dbraw/zinc/36/81/53/444368153.db2.gz AEHFCOIPKHPREV-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1c(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331034897 444368156 /nfs/dbraw/zinc/36/81/56/444368156.db2.gz AEHFCOIPKHPREV-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000290881287 444334335 /nfs/dbraw/zinc/33/43/35/444334335.db2.gz DRXGRUDYPOCYLX-GFCCVEGCSA-N 1 1 346.391 1.634 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000297798198 444336112 /nfs/dbraw/zinc/33/61/12/444336112.db2.gz HTPXNHPZBVUVPX-DZGCQCFKSA-N 1 1 346.387 1.585 20 5 EDBDMO COCC[NH+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000298098086 444415425 /nfs/dbraw/zinc/41/54/25/444415425.db2.gz LLPVHHQSHPIJHT-UHFFFAOYSA-N 1 1 332.360 1.480 20 5 EDBDMO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000580340446 322039993 /nfs/dbraw/zinc/03/99/93/322039993.db2.gz WBNMDZPJWFILLT-MRXNPFEDSA-N 1 1 329.360 1.712 20 5 EDBDMO CC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCOC ZINC000343768629 444577208 /nfs/dbraw/zinc/57/72/08/444577208.db2.gz XYARHNZQSPTOEK-OAHLLOKOSA-N 1 1 335.404 1.707 20 5 EDBDMO COC(=O)CN(C)C(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343934913 444679516 /nfs/dbraw/zinc/67/95/16/444679516.db2.gz SMKNFINHCHCYRY-UHFFFAOYSA-N 1 1 349.387 1.581 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343972749 444703529 /nfs/dbraw/zinc/70/35/29/444703529.db2.gz OUOWTDFYZOSEDV-AAEUAGOBSA-N 1 1 327.406 1.664 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343972749 444703532 /nfs/dbraw/zinc/70/35/32/444703532.db2.gz OUOWTDFYZOSEDV-AAEUAGOBSA-N 1 1 327.406 1.664 20 5 EDBDMO COc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343982691 444708633 /nfs/dbraw/zinc/70/86/33/444708633.db2.gz ORJPWIDAPGNQAH-CMPLNLGQSA-N 1 1 343.405 1.364 20 5 EDBDMO COc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343982691 444708635 /nfs/dbraw/zinc/70/86/35/444708635.db2.gz ORJPWIDAPGNQAH-CMPLNLGQSA-N 1 1 343.405 1.364 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000344098312 444780069 /nfs/dbraw/zinc/78/00/69/444780069.db2.gz YLPATFYCAHDLTB-GLQYFDAESA-N 1 1 340.401 1.071 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000344098312 444780073 /nfs/dbraw/zinc/78/00/73/444780073.db2.gz YLPATFYCAHDLTB-GLQYFDAESA-N 1 1 340.401 1.071 20 5 EDBDMO CCC[C@]1(CO)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000344152668 444809870 /nfs/dbraw/zinc/80/98/70/444809870.db2.gz HWBWMTQIQXHAJN-PBHICJAKSA-N 1 1 338.404 1.819 20 5 EDBDMO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000338955739 444953186 /nfs/dbraw/zinc/95/31/86/444953186.db2.gz QDHOAHOUZUOORR-AWEZNQCLSA-N 1 1 348.403 1.220 20 5 EDBDMO C[C@](O)(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000330377656 444959366 /nfs/dbraw/zinc/95/93/66/444959366.db2.gz FJYGUIWERWFNHI-SKDRFNHKSA-N 1 1 334.298 1.789 20 5 EDBDMO Cn1nccc1[C@@H]1[C@@H](CNc2ncc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000344486303 445004389 /nfs/dbraw/zinc/00/43/89/445004389.db2.gz 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XIXIRXOPZIQSOI-OAHLLOKOSA-N 1 1 335.404 1.945 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000591370590 448347146 /nfs/dbraw/zinc/34/71/46/448347146.db2.gz IHSOOSJKWPWKPF-NWDGAFQWSA-N 1 1 331.376 1.429 20 5 EDBDMO O=C(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])N1CCNCC1 ZINC000572510497 448397557 /nfs/dbraw/zinc/39/75/57/448397557.db2.gz SLYCYJGBARLXIW-GDBMZVCRSA-N 1 1 346.431 1.327 20 5 EDBDMO O=C(CC[NH2+]Cc1nnc(C2CC2)[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000591769534 448487515 /nfs/dbraw/zinc/48/75/15/448487515.db2.gz NHIHTYCJLGZXNV-UHFFFAOYSA-N 1 1 330.348 1.709 20 5 EDBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1=CC[N@@H+](C)CC1 ZINC000540968587 448661122 /nfs/dbraw/zinc/66/11/22/448661122.db2.gz STEPHDLMHWEREZ-LLVKDONJSA-N 1 1 347.371 1.746 20 5 EDBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000518314192 448663271 /nfs/dbraw/zinc/66/32/71/448663271.db2.gz RWFMAZBCDNTITA-ZDUSSCGKSA-N 1 1 348.403 1.757 20 5 EDBDMO O=[N+]([O-])c1ccc(OCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000573594109 448666541 /nfs/dbraw/zinc/66/65/41/448666541.db2.gz UHMFNHKPXDWJMP-GVDBMIGSSA-N 1 1 335.404 1.720 20 5 EDBDMO CN(C(=O)C[N@H+]1CCCC[C@H]1C1(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000573686134 448690527 /nfs/dbraw/zinc/69/05/27/448690527.db2.gz YXEAJBNERQVPDR-HNNXBMFYSA-N 1 1 333.388 1.937 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000541819319 448696049 /nfs/dbraw/zinc/69/60/49/448696049.db2.gz MUYQYOULZIRLMJ-ZDUSSCGKSA-N 1 1 341.433 1.832 20 5 EDBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CN1 ZINC000579670404 448845061 /nfs/dbraw/zinc/84/50/61/448845061.db2.gz NUOVGOAJTJUIHA-IAQYHMDHSA-N 1 1 343.387 1.962 20 5 EDBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860501 448942261 /nfs/dbraw/zinc/94/22/61/448942261.db2.gz GLWJJXYQPLTCEJ-QWHCGFSZSA-N 1 1 344.371 1.357 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000589930332 449083807 /nfs/dbraw/zinc/08/38/07/449083807.db2.gz WKOQFFUGQBRWFA-OLZOCXBDSA-N 1 1 339.417 1.536 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000590010539 449095593 /nfs/dbraw/zinc/09/55/93/449095593.db2.gz ODDXCBCXJMXGFA-JSGCOSHPSA-N 1 1 329.360 1.781 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000590012028 449096946 /nfs/dbraw/zinc/09/69/46/449096946.db2.gz OATXZNFWFANRCX-TZMCWYRMSA-N 1 1 329.360 1.781 20 5 EDBDMO C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000593102102 449135949 /nfs/dbraw/zinc/13/59/49/449135949.db2.gz XDLUOLWGVXIGQD-HZMBPMFUSA-N 1 1 325.340 1.112 20 5 EDBDMO C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000593102102 449135952 /nfs/dbraw/zinc/13/59/52/449135952.db2.gz XDLUOLWGVXIGQD-HZMBPMFUSA-N 1 1 325.340 1.112 20 5 EDBDMO CCOc1cc(N2CC[NH+](C[C@@H]3CCC(=O)N3)CC2)ccc1[N+](=O)[O-] ZINC000593028338 449108214 /nfs/dbraw/zinc/10/82/14/449108214.db2.gz AXTPTBATYDVGGE-ZDUSSCGKSA-N 1 1 348.403 1.394 20 5 EDBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599938489 449116903 /nfs/dbraw/zinc/11/69/03/449116903.db2.gz CAIHGXSLXYTWNH-LTIDMASMSA-N 1 1 345.399 1.366 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590282242 449124502 /nfs/dbraw/zinc/12/45/02/449124502.db2.gz UPPDUIOTYHGNPS-SMDDNHRTSA-N 1 1 332.360 1.004 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)[C@@H]2C1 ZINC000590442375 449164787 /nfs/dbraw/zinc/16/47/87/449164787.db2.gz FYCLISYQHSFZHO-ZWNOBZJWSA-N 1 1 333.344 1.142 20 5 EDBDMO [NH3+]C[C@]12CCC[C@H]1CN([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000593733242 449167583 /nfs/dbraw/zinc/16/75/83/449167583.db2.gz JRSUKEMLGISMLF-XCRHUMRWSA-N 1 1 344.415 1.761 20 5 EDBDMO CN(C(=O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595735486 449138016 /nfs/dbraw/zinc/13/80/16/449138016.db2.gz AJEGVFWZBBFUCI-SWLSCSKDSA-N 1 1 346.387 1.158 20 5 EDBDMO CN(C(=O)C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595735486 449138019 /nfs/dbraw/zinc/13/80/19/449138019.db2.gz AJEGVFWZBBFUCI-SWLSCSKDSA-N 1 1 346.387 1.158 20 5 EDBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000590387769 449143565 /nfs/dbraw/zinc/14/35/65/449143565.db2.gz JPYOHWIWGJCBAC-AWEZNQCLSA-N 1 1 347.415 1.849 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000590400835 449148561 /nfs/dbraw/zinc/14/85/61/449148561.db2.gz ZKHGNIBFSYDHQA-UKRRQHHQSA-N 1 1 349.387 1.295 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595758974 449151974 /nfs/dbraw/zinc/15/19/74/449151974.db2.gz ODOSOUMTKCXVPB-PRXAMGSTSA-N 1 1 349.387 1.899 20 5 EDBDMO 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449354655 /nfs/dbraw/zinc/35/46/55/449354655.db2.gz HULLVSNRSZKDLF-HUUCEWRRSA-N 1 1 333.388 1.809 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600472048 449396840 /nfs/dbraw/zinc/39/68/40/449396840.db2.gz MJZBJDNJVAOFJT-CQSZACIVSA-N 1 1 335.408 1.623 20 5 EDBDMO COc1c(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000598451131 449400729 /nfs/dbraw/zinc/40/07/29/449400729.db2.gz POCQUAABJIHMGZ-ZDUSSCGKSA-N 1 1 349.387 1.275 20 5 EDBDMO COC(=O)[C@](C)(NC(=O)C[N@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600531290 449428150 /nfs/dbraw/zinc/42/81/50/449428150.db2.gz AEYVXNTVECKSNT-YVEFUNNKSA-N 1 1 349.387 1.441 20 5 EDBDMO CC[N@@H+](C)C[C@H](O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000594569952 449576919 /nfs/dbraw/zinc/57/69/19/449576919.db2.gz UJCWSGQAHCDOIY-AWEZNQCLSA-N 1 1 332.360 1.131 20 5 EDBDMO CCN(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC[N@@H+](C)C1 ZINC000596585914 449563222 /nfs/dbraw/zinc/56/32/22/449563222.db2.gz BYEKZTMMHPCDGY-GFCCVEGCSA-N 1 1 346.391 1.707 20 5 EDBDMO C[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000594748177 449664672 /nfs/dbraw/zinc/66/46/72/449664672.db2.gz KVBZFWBIFFWWPH-NWDGAFQWSA-N 1 1 342.421 1.531 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598901702 449638261 /nfs/dbraw/zinc/63/82/61/449638261.db2.gz CJFSKDPUXGSFFJ-CYBMUJFWSA-N 1 1 349.391 1.269 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601126404 449704446 /nfs/dbraw/zinc/70/44/46/449704446.db2.gz XWMNEBDHZOCKOE-OAHLLOKOSA-N 1 1 347.415 1.853 20 5 EDBDMO C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000612482810 449733253 /nfs/dbraw/zinc/73/32/53/449733253.db2.gz UINQTUMRRAFSSP-FIXISWKDSA-N 1 1 339.367 1.673 20 5 EDBDMO C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000612482810 449733256 /nfs/dbraw/zinc/73/32/56/449733256.db2.gz UINQTUMRRAFSSP-FIXISWKDSA-N 1 1 339.367 1.673 20 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CCOc1ccc(NC(=O)C[N@H+](CC)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000352229120 162062408 /nfs/dbraw/zinc/06/24/08/162062408.db2.gz DCGSHHCNSDNALT-LLVKDONJSA-N 1 1 325.365 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000352229120 162062409 /nfs/dbraw/zinc/06/24/09/162062409.db2.gz DCGSHHCNSDNALT-LLVKDONJSA-N 1 1 325.365 1.635 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](CCO)CC1CC1 ZINC000352469805 162198674 /nfs/dbraw/zinc/19/86/74/162198674.db2.gz ZHTLDNBLZWMDOF-NSHDSACASA-N 1 1 337.376 1.635 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360667716 162296794 /nfs/dbraw/zinc/29/67/94/162296794.db2.gz ZLTLXBWMWGAEHM-QWRGUYRKSA-N 1 1 343.405 1.364 20 5 EDBDMO CCCC[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000072950567 287257780 /nfs/dbraw/zinc/25/77/80/287257780.db2.gz FLLCUILPMOLWJI-UHFFFAOYSA-N 1 1 325.365 1.636 20 5 EDBDMO CCCC[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000072950567 287257783 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C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000291422304 289059936 /nfs/dbraw/zinc/05/99/36/289059936.db2.gz KQOQMVKCUQRCSQ-UKRRQHHQSA-N 1 1 333.388 1.459 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)O ZINC000177726613 295254941 /nfs/dbraw/zinc/25/49/41/295254941.db2.gz LAESCUCJXLAVFP-SNVBAGLBSA-N 1 1 325.365 1.633 20 5 EDBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000295152923 303180711 /nfs/dbraw/zinc/18/07/11/303180711.db2.gz MFRWEDDMXOSGFT-OAHLLOKOSA-N 1 1 326.324 1.745 20 5 EDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000295194702 303187085 /nfs/dbraw/zinc/18/70/85/303187085.db2.gz JLDCPSLXKOVLNG-OAHLLOKOSA-N 1 1 339.323 1.140 20 5 EDBDMO COc1cc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc([N+](=O)[O-])c1OC ZINC000295346148 303207699 /nfs/dbraw/zinc/20/76/99/303207699.db2.gz YPLNODGMPBIQFG-HNNXBMFYSA-N 1 1 341.339 1.386 20 5 EDBDMO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CC[N@H+]1C[C@H](C)O ZINC000430231207 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C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C)CC1 ZINC000121123433 442179318 /nfs/dbraw/zinc/17/93/18/442179318.db2.gz ZUHSSHHCOVFQGT-SNVBAGLBSA-N 1 1 326.784 1.823 20 5 EDBDMO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000164183373 442192039 /nfs/dbraw/zinc/19/20/39/442192039.db2.gz NCLSZBPXHROCQD-NSHDSACASA-N 1 1 344.375 1.668 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000152385041 442206022 /nfs/dbraw/zinc/20/60/22/442206022.db2.gz LZPOXGWEXJTOHE-UHFFFAOYSA-N 1 1 325.365 1.302 20 5 EDBDMO CC(C)NC(=O)c1ccc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000153190637 442266712 /nfs/dbraw/zinc/26/67/12/442266712.db2.gz APMCJBLWNNBPKT-HZPDHXFCSA-N 1 1 348.403 1.252 20 5 EDBDMO CCCC[N@H+](CCO)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000153548442 442288893 /nfs/dbraw/zinc/28/88/93/442288893.db2.gz LMUWCLATOZNEFA-UHFFFAOYSA-N 1 1 325.365 1.636 20 5 EDBDMO CCCC[N@@H+](CCO)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000153548442 442288896 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EDBDMO Cc1nccn1CCC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136307810 442659250 /nfs/dbraw/zinc/65/92/50/442659250.db2.gz ZSWKTDDJMISCKB-INIZCTEOSA-N 1 1 348.403 1.862 20 5 EDBDMO Cc1cc(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000187241050 442662850 /nfs/dbraw/zinc/66/28/50/442662850.db2.gz BZJFCMZMDILYNY-UHFFFAOYSA-N 1 1 331.376 1.827 20 5 EDBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000193333107 442733629 /nfs/dbraw/zinc/73/36/29/442733629.db2.gz QMJMUFCEEZCTRO-CYBMUJFWSA-N 1 1 347.419 1.790 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000246745393 442809923 /nfs/dbraw/zinc/80/99/23/442809923.db2.gz NLDWYBIHPCNBFX-AFJNRPGYSA-N 1 1 333.388 1.522 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000247552267 442861825 /nfs/dbraw/zinc/86/18/25/442861825.db2.gz QBKDXVSJFHBXKG-JKSUJKDBSA-N 1 1 338.408 1.576 20 5 EDBDMO COC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000265749772 442906575 /nfs/dbraw/zinc/90/65/75/442906575.db2.gz FDGUSLFLMOONAA-VXGBXAGGSA-N 1 1 337.376 1.899 20 5 EDBDMO COC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000265749772 442906579 /nfs/dbraw/zinc/90/65/79/442906579.db2.gz FDGUSLFLMOONAA-VXGBXAGGSA-N 1 1 337.376 1.899 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248878824 442934353 /nfs/dbraw/zinc/93/43/53/442934353.db2.gz CUMKAXXLMVWODT-CHWSQXEVSA-N 1 1 339.392 1.295 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000248900357 442936726 /nfs/dbraw/zinc/93/67/26/442936726.db2.gz HFPDNECSKDZQSL-XHDPSFHLSA-N 1 1 337.376 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000248900357 442936733 /nfs/dbraw/zinc/93/67/33/442936733.db2.gz HFPDNECSKDZQSL-XHDPSFHLSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CO ZINC000249000444 442944204 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ZINC000337432921 445078329 /nfs/dbraw/zinc/07/83/29/445078329.db2.gz GPFMELHKCBIUEX-PXAZEXFGSA-N 1 1 349.387 1.973 20 5 EDBDMO CN(CC[NH+]1CCCC1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343558388 445243512 /nfs/dbraw/zinc/24/35/12/445243512.db2.gz SZNCHXPGEUOQPH-UHFFFAOYSA-N 1 1 341.433 1.396 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000354485027 445258217 /nfs/dbraw/zinc/25/82/17/445258217.db2.gz KYUGLEQCVROXRI-NSHDSACASA-N 1 1 327.406 1.618 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000354485027 445258220 /nfs/dbraw/zinc/25/82/20/445258220.db2.gz KYUGLEQCVROXRI-NSHDSACASA-N 1 1 327.406 1.618 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000357063624 445403099 /nfs/dbraw/zinc/40/30/99/445403099.db2.gz GGVDKWPVZJHHRD-NEPJUHHUSA-N 1 1 336.392 1.566 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000357063640 445403493 /nfs/dbraw/zinc/40/34/93/445403493.db2.gz 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XBSZZLRWCDZAFP-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO O=[N+]([O-])c1ccccc1NCCNc1cc[nH+]c(N2CCOCC2)n1 ZINC000354047674 445873511 /nfs/dbraw/zinc/87/35/11/445873511.db2.gz NAWHNQORUQGDIQ-UHFFFAOYSA-N 1 1 344.375 1.745 20 5 EDBDMO NC(=O)c1csc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000364329146 445911626 /nfs/dbraw/zinc/91/16/26/445911626.db2.gz QGGNABTVKASHQE-NSHDSACASA-N 1 1 335.389 1.789 20 5 EDBDMO NC(=O)c1csc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000364329146 445911632 /nfs/dbraw/zinc/91/16/32/445911632.db2.gz QGGNABTVKASHQE-NSHDSACASA-N 1 1 335.389 1.789 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000356736288 445977531 /nfs/dbraw/zinc/97/75/31/445977531.db2.gz AOEJAONLIUZZEO-YPMHNXCESA-N 1 1 333.392 1.417 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000366142801 446039156 /nfs/dbraw/zinc/03/91/56/446039156.db2.gz HJZZKPZVFKXJHG-GUTXKFCHSA-N 1 1 348.403 1.704 20 5 EDBDMO 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CCOC(=O)c1cc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000356903487 446111326 /nfs/dbraw/zinc/11/13/26/446111326.db2.gz PRIGRGZTUXOFCG-RYUDHWBXSA-N 1 1 349.387 1.936 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000356903487 446111331 /nfs/dbraw/zinc/11/13/31/446111331.db2.gz PRIGRGZTUXOFCG-RYUDHWBXSA-N 1 1 349.387 1.936 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000370202012 446191161 /nfs/dbraw/zinc/19/11/61/446191161.db2.gz RQSPKAGMCIFBMB-INIZCTEOSA-N 1 1 335.404 1.900 20 5 EDBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000365326761 446149244 /nfs/dbraw/zinc/14/92/44/446149244.db2.gz LHBQKNKRWMAODG-CQSZACIVSA-N 1 1 332.404 1.447 20 5 EDBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000354422947 446193885 /nfs/dbraw/zinc/19/38/85/446193885.db2.gz AIMFYDMVAGMJCA-LBPRGKRZSA-N 1 1 328.390 1.340 20 5 EDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCS(=O)(=O)C1 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NKVMAECRNIXZAK-QGZVFWFLSA-N 1 1 343.387 1.960 20 5 EDBDMO C[C@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000366896736 446402561 /nfs/dbraw/zinc/40/25/61/446402561.db2.gz NKVMAECRNIXZAK-QGZVFWFLSA-N 1 1 343.387 1.960 20 5 EDBDMO C[C@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000366896736 446402564 /nfs/dbraw/zinc/40/25/64/446402564.db2.gz NKVMAECRNIXZAK-QGZVFWFLSA-N 1 1 343.387 1.960 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](CN)C1CC1 ZINC000420314430 446480175 /nfs/dbraw/zinc/48/01/75/446480175.db2.gz KXEPHHSJSQPMBP-AWEZNQCLSA-N 1 1 336.392 1.601 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](CN)C1CC1 ZINC000420314430 446480179 /nfs/dbraw/zinc/48/01/79/446480179.db2.gz KXEPHHSJSQPMBP-AWEZNQCLSA-N 1 1 336.392 1.601 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375016738 446516799 /nfs/dbraw/zinc/51/67/99/446516799.db2.gz FXDODVQTRFZYMU-BBRMVZONSA-N 1 1 332.404 1.949 20 5 EDBDMO 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DJUOYTCWAJNYII-AWEZNQCLSA-N 1 1 346.387 1.037 20 5 EDBDMO CN1C[C@@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCC1=O ZINC000576764889 448135408 /nfs/dbraw/zinc/13/54/08/448135408.db2.gz DJUOYTCWAJNYII-AWEZNQCLSA-N 1 1 346.387 1.037 20 5 EDBDMO Cc1noc(CCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000532753942 448306867 /nfs/dbraw/zinc/30/68/67/448306867.db2.gz PQSDXPCFWDLTMF-UHFFFAOYSA-N 1 1 332.364 1.436 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c1 ZINC000591263758 448300985 /nfs/dbraw/zinc/30/09/85/448300985.db2.gz AWHIROSDEURKMG-LBPRGKRZSA-N 1 1 335.360 1.292 20 5 EDBDMO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@H+]1C ZINC000583060325 448412187 /nfs/dbraw/zinc/41/21/87/448412187.db2.gz IWRLPTMCIHVCHG-AWEZNQCLSA-N 1 1 349.387 1.778 20 5 EDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516502066 448429496 /nfs/dbraw/zinc/42/94/96/448429496.db2.gz NFNPZVZMYOWGSW-RYUDHWBXSA-N 1 1 333.344 1.680 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000578429834 448541946 /nfs/dbraw/zinc/54/19/46/448541946.db2.gz PBVXMCZDEPCLFF-NSHDSACASA-N 1 1 328.394 1.093 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc([N+](=O)[O-])c1 ZINC000566914811 448584103 /nfs/dbraw/zinc/58/41/03/448584103.db2.gz KARWJPYBKMJYDB-LLVKDONJSA-N 1 1 343.286 1.061 20 5 EDBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588070229 448866214 /nfs/dbraw/zinc/86/62/14/448866214.db2.gz SGJXPZIUDLXZFX-JSGCOSHPSA-N 1 1 343.387 1.837 20 5 EDBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588070230 448866496 /nfs/dbraw/zinc/86/64/96/448866496.db2.gz SGJXPZIUDLXZFX-OCCSQVGLSA-N 1 1 343.387 1.837 20 5 EDBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863581 448943665 /nfs/dbraw/zinc/94/36/65/448943665.db2.gz QLVYUKZZXGDLHN-MNOVXSKESA-N 1 1 339.779 1.529 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC[C@@H]21 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YCSWIUSWEJVRPE-LBPRGKRZSA-N 1 1 334.376 1.315 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000604278190 449200934 /nfs/dbraw/zinc/20/09/34/449200934.db2.gz QKMMOKRPLKUQTR-SNVBAGLBSA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000604278190 449200941 /nfs/dbraw/zinc/20/09/41/449200941.db2.gz QKMMOKRPLKUQTR-SNVBAGLBSA-N 1 1 347.824 1.929 20 5 EDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000590541631 449182008 /nfs/dbraw/zinc/18/20/08/449182008.db2.gz HAXNPLHHPSWWOI-CYBMUJFWSA-N 1 1 348.403 1.113 20 5 EDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000611165928 449194662 /nfs/dbraw/zinc/19/46/62/449194662.db2.gz JZJVKMCJRSROAT-UHFFFAOYSA-N 1 1 341.795 1.777 20 5 EDBDMO Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000600181135 449231587 /nfs/dbraw/zinc/23/15/87/449231587.db2.gz LICDQAWTYXJNBU-HZPDHXFCSA-N 1 1 332.360 1.261 20 5 EDBDMO 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CO[C@@H]1COCC[C@H]1[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880430097 597930880 /nfs/dbraw/zinc/93/08/80/597930880.db2.gz JURLLSKEPPBPIV-GDBMZVCRSA-N 1 1 349.387 1.220 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC000880582854 597970273 /nfs/dbraw/zinc/97/02/73/597970273.db2.gz SIADTAXCDSZMEU-JKSUJKDBSA-N 1 1 336.388 1.492 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000882486108 597974072 /nfs/dbraw/zinc/97/40/72/597974072.db2.gz YNMXMUNGTZJXQM-CQSZACIVSA-N 1 1 343.387 1.819 20 5 EDBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c(-c2nn[nH]n2)c1 ZINC000738369293 598499141 /nfs/dbraw/zinc/49/91/41/598499141.db2.gz KKVNLHPJAYVYHV-NWDGAFQWSA-N 1 1 330.352 1.209 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820709169 607168578 /nfs/dbraw/zinc/16/85/78/607168578.db2.gz FFJVTUJGUVVLFM-JTQLQIEISA-N 1 1 332.368 1.314 20 5 EDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccn1 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KQFACBBKOPKHDT-QZTJIDSGSA-N 1 1 343.427 1.951 20 5 EDBDMO Cc1ccc(CC[N@@H+]2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC001000673755 708060665 /nfs/dbraw/zinc/06/06/65/708060665.db2.gz KQFACBBKOPKHDT-QZTJIDSGSA-N 1 1 343.427 1.951 20 5 EDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001005381334 708811780 /nfs/dbraw/zinc/81/17/80/708811780.db2.gz IMPOITMLSDZNTE-IAGOWNOFSA-N 1 1 347.415 1.267 20 5 EDBDMO CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034643264 710319343 /nfs/dbraw/zinc/31/93/43/710319343.db2.gz LQDHPBLBZBCZFL-AAVRWANBSA-N 1 1 335.408 1.085 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412361205 304001849 /nfs/dbraw/zinc/00/18/49/304001849.db2.gz PPZHVLQDUOYVFL-DLBZAZTESA-N 1 1 348.447 1.698 20 5 EDBDMO CN(CCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000412361205 304001850 /nfs/dbraw/zinc/00/18/50/304001850.db2.gz PPZHVLQDUOYVFL-DLBZAZTESA-N 1 1 348.447 1.698 20 5 EDBDMO Cc1cc(C(=O)NCC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000183678285 235194134 /nfs/dbraw/zinc/19/41/34/235194134.db2.gz WWONSOSHUKGRIW-CQSZACIVSA-N 1 1 348.403 1.186 20 5 EDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000128449475 283115177 /nfs/dbraw/zinc/11/51/77/283115177.db2.gz UGOXFTKNHOTOCR-CYBMUJFWSA-N 1 1 348.403 1.113 20 5 EDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090459647 138278772 /nfs/dbraw/zinc/27/87/72/138278772.db2.gz TZRLYNSAPQFQAT-HZPDHXFCSA-N 1 1 333.388 1.507 20 5 EDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090459647 138278773 /nfs/dbraw/zinc/27/87/73/138278773.db2.gz TZRLYNSAPQFQAT-HZPDHXFCSA-N 1 1 333.388 1.507 20 5 EDBDMO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866357 138313023 /nfs/dbraw/zinc/31/30/23/138313023.db2.gz QNXGFUHZONJEJB-CYBMUJFWSA-N 1 1 333.392 1.344 20 5 EDBDMO CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866357 138313024 /nfs/dbraw/zinc/31/30/24/138313024.db2.gz QNXGFUHZONJEJB-CYBMUJFWSA-N 1 1 333.392 1.344 20 5 EDBDMO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCSCC1 ZINC000153575824 138499235 /nfs/dbraw/zinc/49/92/35/138499235.db2.gz BAAYPPUMIMJNIL-LBPRGKRZSA-N 1 1 335.429 1.917 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000364983371 283349878 /nfs/dbraw/zinc/34/98/78/283349878.db2.gz YIOIPVJRCOOKNI-CQSZACIVSA-N 1 1 336.367 1.652 20 5 EDBDMO NC(=O)c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000252652772 283376505 /nfs/dbraw/zinc/37/65/05/283376505.db2.gz FFAXQZWXQBJSIX-OCCSQVGLSA-N 1 1 337.401 1.400 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000252652772 283376506 /nfs/dbraw/zinc/37/65/06/283376506.db2.gz FFAXQZWXQBJSIX-OCCSQVGLSA-N 1 1 337.401 1.400 20 5 EDBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC[N@H+](C)C1 ZINC000413926221 304090554 /nfs/dbraw/zinc/09/05/54/304090554.db2.gz WDHBIVBDIUJTIQ-LBPRGKRZSA-N 1 1 335.360 1.080 20 5 EDBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC[N@@H+](C)C1 ZINC000413926221 304090555 /nfs/dbraw/zinc/09/05/55/304090555.db2.gz WDHBIVBDIUJTIQ-LBPRGKRZSA-N 1 1 335.360 1.080 20 5 EDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080920215 283720292 /nfs/dbraw/zinc/72/02/92/283720292.db2.gz VGRGOYGSCSJCTP-KXPUMZMLSA-N 1 1 345.399 1.931 20 5 EDBDMO NC(=O)N1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000102180509 204032823 /nfs/dbraw/zinc/03/28/23/204032823.db2.gz OPENBEKGCQGJOI-UHFFFAOYSA-N 1 1 335.364 1.010 20 5 EDBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000104755460 204118314 /nfs/dbraw/zinc/11/83/14/204118314.db2.gz FEFVAGMGNMEHNJ-UHFFFAOYSA-N 1 1 345.396 1.887 20 5 EDBDMO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000111267613 220127821 /nfs/dbraw/zinc/12/78/21/220127821.db2.gz GIOTXKRVGCTQRD-GFCCVEGCSA-N 1 1 334.376 1.300 20 5 EDBDMO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000111267613 220127823 /nfs/dbraw/zinc/12/78/23/220127823.db2.gz GIOTXKRVGCTQRD-GFCCVEGCSA-N 1 1 334.376 1.300 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000111267625 220126562 /nfs/dbraw/zinc/12/65/62/220126562.db2.gz YYDAPGPOKNSKTO-LBPRGKRZSA-N 1 1 334.376 1.300 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000111267625 220126564 /nfs/dbraw/zinc/12/65/64/220126564.db2.gz YYDAPGPOKNSKTO-LBPRGKRZSA-N 1 1 334.376 1.300 20 5 EDBDMO CCc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000245410029 139072569 /nfs/dbraw/zinc/07/25/69/139072569.db2.gz PAEFXCOBDXTLPY-OLZOCXBDSA-N 1 1 335.404 1.684 20 5 EDBDMO CCc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000245410029 139072570 /nfs/dbraw/zinc/07/25/70/139072570.db2.gz PAEFXCOBDXTLPY-OLZOCXBDSA-N 1 1 335.404 1.684 20 5 EDBDMO CO[C@@H]1CC[C@H]2OCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000245570778 139079814 /nfs/dbraw/zinc/07/98/14/139079814.db2.gz BAJYDMRIFBXXHA-QLFBSQMISA-N 1 1 337.376 1.025 20 5 EDBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000245570778 139079815 /nfs/dbraw/zinc/07/98/15/139079815.db2.gz BAJYDMRIFBXXHA-QLFBSQMISA-N 1 1 337.376 1.025 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000156635514 206090980 /nfs/dbraw/zinc/09/09/80/206090980.db2.gz XIXCUWCZWPUFLW-AAEUAGOBSA-N 1 1 329.360 1.568 20 5 EDBDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000156635514 206090983 /nfs/dbraw/zinc/09/09/83/206090983.db2.gz XIXCUWCZWPUFLW-AAEUAGOBSA-N 1 1 329.360 1.568 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000156635514 206090988 /nfs/dbraw/zinc/09/09/88/206090988.db2.gz XIXCUWCZWPUFLW-AAEUAGOBSA-N 1 1 329.360 1.568 20 5 EDBDMO Cc1c(CC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245930245 139090426 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CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358053914 151249831 /nfs/dbraw/zinc/24/98/31/151249831.db2.gz WPXMZXRMYZXYAZ-HNNXBMFYSA-N 1 1 339.417 1.503 20 5 EDBDMO Cc1cc(NC[C@]2(O)CC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358343588 151343740 /nfs/dbraw/zinc/34/37/40/151343740.db2.gz MTJXWVBOLNGJBW-QGZVFWFLSA-N 1 1 343.387 1.261 20 5 EDBDMO CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000360747160 152183378 /nfs/dbraw/zinc/18/33/78/152183378.db2.gz RNZCJRZMQZBYAA-CQSZACIVSA-N 1 1 343.387 1.675 20 5 EDBDMO CC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000360771245 152197469 /nfs/dbraw/zinc/19/74/69/152197469.db2.gz XEVXTCDKAOJSAU-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO CC[N@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000360771245 152197474 /nfs/dbraw/zinc/19/74/74/152197474.db2.gz XEVXTCDKAOJSAU-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO CNS(=O)(=O)c1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 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UYEPXJWHTKBIOW-GFCCVEGCSA-N 1 1 336.440 1.471 20 5 EDBDMO CCc1nn(C)c(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000367939441 154337474 /nfs/dbraw/zinc/33/74/74/154337474.db2.gz UYEPXJWHTKBIOW-GFCCVEGCSA-N 1 1 336.440 1.471 20 5 EDBDMO CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000369575575 155095799 /nfs/dbraw/zinc/09/57/99/155095799.db2.gz HKHPMUFDJVDPIG-ZDUSSCGKSA-N 1 1 343.387 1.924 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cc1 ZINC000374180197 157182113 /nfs/dbraw/zinc/18/21/13/157182113.db2.gz ZDBIQMIQEGZEOY-BBWFWOEESA-N 1 1 336.388 1.835 20 5 EDBDMO COc1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)n1 ZINC000374177885 157182762 /nfs/dbraw/zinc/18/27/62/157182762.db2.gz OGBGTQFHPDEKGD-UHFFFAOYSA-N 1 1 332.364 1.735 20 5 EDBDMO CCc1ccc([C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC[NH2+]2)cc1 ZINC000374344829 157253976 /nfs/dbraw/zinc/25/39/76/157253976.db2.gz IYYMHUQOOXPRLY-MRXNPFEDSA-N 1 1 343.387 1.527 20 5 EDBDMO O=C(CC[NH+]1CCN(CC(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000057920111 287233452 /nfs/dbraw/zinc/23/34/52/287233452.db2.gz DEWFCOXPSFRDNG-UHFFFAOYSA-N 1 1 342.346 1.806 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080110754 287304808 /nfs/dbraw/zinc/30/48/08/287304808.db2.gz XRAGDAOKUZBMMD-UHFFFAOYSA-N 1 1 338.408 1.707 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000191862764 272982196 /nfs/dbraw/zinc/98/21/96/272982196.db2.gz XKLNGESKMMZTJN-UHFFFAOYSA-N 1 1 346.391 1.640 20 5 EDBDMO C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1=CC[N@@H+](C)CC1 ZINC000273071592 273027787 /nfs/dbraw/zinc/02/77/87/273027787.db2.gz ZPGMIUYOZDODNO-JTQLQIEISA-N 1 1 333.344 1.704 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](C)C1 ZINC000275364900 268330419 /nfs/dbraw/zinc/33/04/19/268330419.db2.gz MEHWNJVVBXCQEY-VXGBXAGGSA-N 1 1 348.403 1.371 20 5 EDBDMO CN1CC[N@H+](C)C[C@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278395318 268650096 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1.159 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@](C)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000280795058 273399277 /nfs/dbraw/zinc/39/92/77/273399277.db2.gz RLZUCQPMQQKNPM-MEDUHNTESA-N 1 1 334.376 1.428 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000284734243 274312492 /nfs/dbraw/zinc/31/24/92/274312492.db2.gz KMFPKJCRUHEERC-HYVNUMGLSA-N 1 1 336.388 1.978 20 5 EDBDMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267392436 277102882 /nfs/dbraw/zinc/10/28/82/277102882.db2.gz MUTDQGXTSDWCHH-SNVBAGLBSA-N 1 1 326.784 1.224 20 5 EDBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267392436 277102884 /nfs/dbraw/zinc/10/28/84/277102884.db2.gz MUTDQGXTSDWCHH-SNVBAGLBSA-N 1 1 326.784 1.224 20 5 EDBDMO C[NH+](C)C1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000319047992 282043424 /nfs/dbraw/zinc/04/34/24/282043424.db2.gz CSPLDHUHMOYBKH-UHFFFAOYSA-N 1 1 331.369 1.497 20 5 EDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000292251841 289298758 /nfs/dbraw/zinc/29/87/58/289298758.db2.gz KFQWHTOHZBQXCD-QMTHXVAHSA-N 1 1 347.375 1.135 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)n1 ZINC000408170182 301203561 /nfs/dbraw/zinc/20/35/61/301203561.db2.gz CVCUVQHTLJCVFA-CQSZACIVSA-N 1 1 347.419 1.349 20 5 EDBDMO COC(=O)c1cnc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000294939794 303155584 /nfs/dbraw/zinc/15/55/84/303155584.db2.gz LKZGUIATFVWLDO-LLVKDONJSA-N 1 1 334.376 1.697 20 5 EDBDMO C[N@@H+](CCO)C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295065349 303169322 /nfs/dbraw/zinc/16/93/22/303169322.db2.gz ZEBBMRNRVAXPBJ-UHFFFAOYSA-N 1 1 341.795 1.777 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295880618 303279072 /nfs/dbraw/zinc/27/90/72/303279072.db2.gz ZTGDMZBHVNGUPI-JTQLQIEISA-N 1 1 327.768 1.387 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000296260470 303306548 /nfs/dbraw/zinc/30/65/48/303306548.db2.gz HTVXQFUTELXHFQ-TXEJJXNPSA-N 1 1 336.392 1.837 20 5 EDBDMO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000296676802 303330736 /nfs/dbraw/zinc/33/07/36/303330736.db2.gz HPYREJIQTYEREU-GDBMZVCRSA-N 1 1 349.431 1.751 20 5 EDBDMO C[C@H]1CN(C2CC2)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296676802 303330739 /nfs/dbraw/zinc/33/07/39/303330739.db2.gz HPYREJIQTYEREU-GDBMZVCRSA-N 1 1 349.431 1.751 20 5 EDBDMO C[C@H]1CN(C2CC2)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296676802 303330741 /nfs/dbraw/zinc/33/07/41/303330741.db2.gz HPYREJIQTYEREU-GDBMZVCRSA-N 1 1 349.431 1.751 20 5 EDBDMO CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000439594090 305200632 /nfs/dbraw/zinc/20/06/32/305200632.db2.gz IGQCBZLLFHTURC-CQSZACIVSA-N 1 1 332.360 1.228 20 5 EDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000440831186 305213112 /nfs/dbraw/zinc/21/31/12/305213112.db2.gz IEYIIBUSLVTRRH-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450381726 305329465 /nfs/dbraw/zinc/32/94/65/305329465.db2.gz UVOCELMLAITQCZ-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450381726 305329466 /nfs/dbraw/zinc/32/94/66/305329466.db2.gz UVOCELMLAITQCZ-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451247743 305335283 /nfs/dbraw/zinc/33/52/83/305335283.db2.gz ACOCZMKBUSPKQO-HIFRSBDPSA-N 1 1 333.388 1.577 20 5 EDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723725 305364669 /nfs/dbraw/zinc/36/46/69/305364669.db2.gz BCLNQJISTQZKPF-GDBMZVCRSA-N 1 1 337.420 1.751 20 5 EDBDMO CC[C@@H]1CN(CC)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723725 305364670 /nfs/dbraw/zinc/36/46/70/305364670.db2.gz BCLNQJISTQZKPF-GDBMZVCRSA-N 1 1 337.420 1.751 20 5 EDBDMO CC[C@@H]1CN(CC)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723725 305364671 /nfs/dbraw/zinc/36/46/71/305364671.db2.gz BCLNQJISTQZKPF-GDBMZVCRSA-N 1 1 337.420 1.751 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452120198 305384028 /nfs/dbraw/zinc/38/40/28/305384028.db2.gz LURUMPMCTHVADL-CYBMUJFWSA-N 1 1 349.387 1.987 20 5 EDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452394520 305397819 /nfs/dbraw/zinc/39/78/19/305397819.db2.gz VJDVTQLFQRPOLA-GFCCVEGCSA-N 1 1 341.795 1.825 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000493593040 447349526 /nfs/dbraw/zinc/34/95/26/447349526.db2.gz FUJJEUMLEACCNZ-YMPXZSTISA-N 1 1 345.399 1.930 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000554861603 306198787 /nfs/dbraw/zinc/19/87/87/306198787.db2.gz ZYSOUTIPXHJROY-ZDUSSCGKSA-N 1 1 329.360 1.712 20 5 EDBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+](CCCO)C1 ZINC000493810883 447400507 /nfs/dbraw/zinc/40/05/07/447400507.db2.gz ALPNGQNQTXKUAP-CDNLZTBQSA-N 1 1 333.388 1.571 20 5 EDBDMO Cc1ccc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000013693514 441164676 /nfs/dbraw/zinc/16/46/76/441164676.db2.gz RHPVTCIGRSVOTI-UHFFFAOYSA-N 1 1 329.360 1.599 20 5 EDBDMO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000081553964 441287512 /nfs/dbraw/zinc/28/75/12/441287512.db2.gz MHEPCSWJBYZRJM-SECBINFHSA-N 1 1 342.783 1.501 20 5 EDBDMO CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000081553964 441287517 /nfs/dbraw/zinc/28/75/17/441287517.db2.gz MHEPCSWJBYZRJM-SECBINFHSA-N 1 1 342.783 1.501 20 5 EDBDMO CNC(=O)[C@H](C)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000081553704 441288000 /nfs/dbraw/zinc/28/80/00/441288000.db2.gz LRMBMMWOIITWID-GFCCVEGCSA-N 1 1 336.392 1.546 20 5 EDBDMO C[C@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[N@@H+](C)C1CC1 ZINC000073075190 441290975 /nfs/dbraw/zinc/29/09/75/441290975.db2.gz QFUCYMYMGUMBHH-LLVKDONJSA-N 1 1 349.387 1.507 20 5 EDBDMO COc1ccc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000106400290 441339623 /nfs/dbraw/zinc/33/96/23/441339623.db2.gz ONNZHRQCLHFPMQ-UHFFFAOYSA-N 1 1 337.376 1.132 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000052191193 441439164 /nfs/dbraw/zinc/43/91/64/441439164.db2.gz UPUJKLBAIAOYIW-UHFFFAOYSA-N 1 1 340.343 1.715 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000108328577 441444047 /nfs/dbraw/zinc/44/40/47/441444047.db2.gz VVFKOMKSMVKJBO-ZDUSSCGKSA-N 1 1 343.387 1.852 20 5 EDBDMO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000027343613 441401002 /nfs/dbraw/zinc/40/10/02/441401002.db2.gz OZVIWMMWXIVQDQ-ZDUSSCGKSA-N 1 1 335.360 1.469 20 5 EDBDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000027343613 441401008 /nfs/dbraw/zinc/40/10/08/441401008.db2.gz OZVIWMMWXIVQDQ-ZDUSSCGKSA-N 1 1 335.360 1.469 20 5 EDBDMO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000032268107 441549521 /nfs/dbraw/zinc/54/95/21/441549521.db2.gz BPUZMONECWCTNH-HNNXBMFYSA-N 1 1 335.404 1.990 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000032267838 441549732 /nfs/dbraw/zinc/54/97/32/441549732.db2.gz KXVLZBNHZXPASQ-MRXNPFEDSA-N 1 1 335.404 1.610 20 5 EDBDMO COC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000112628243 441552096 /nfs/dbraw/zinc/55/20/96/441552096.db2.gz TWNUOLZXHTYCHB-AWEZNQCLSA-N 1 1 335.360 1.869 20 5 EDBDMO COC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000112628243 441552098 /nfs/dbraw/zinc/55/20/98/441552098.db2.gz TWNUOLZXHTYCHB-AWEZNQCLSA-N 1 1 335.360 1.869 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2COc2ccccc2)c1 ZINC000075742083 441554030 /nfs/dbraw/zinc/55/40/30/441554030.db2.gz XTXFXRZJPBTPIS-ZBFHGGJFSA-N 1 1 346.387 1.696 20 5 EDBDMO CCN1CC[NH+](CCCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000041621019 441664752 /nfs/dbraw/zinc/66/47/52/441664752.db2.gz PQABGQLJZJJKFL-UHFFFAOYSA-N 1 1 338.437 1.744 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000067864850 441690180 /nfs/dbraw/zinc/69/01/80/441690180.db2.gz DPGKOOVHCBDLID-AAEUAGOBSA-N 1 1 346.387 1.066 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000042055556 441699631 /nfs/dbraw/zinc/69/96/31/441699631.db2.gz QTSNFFAMGLLAKD-DZGCQCFKSA-N 1 1 346.387 1.585 20 5 EDBDMO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000173291949 441705651 /nfs/dbraw/zinc/70/56/51/441705651.db2.gz OXRRUBRHIDSIBL-QGZVFWFLSA-N 1 1 346.431 1.837 20 5 EDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@H+]1CCc2sccc2C1 ZINC000076677101 441674879 /nfs/dbraw/zinc/67/48/79/441674879.db2.gz JRQYLOFPBJUQNP-VIFPVBQESA-N 1 1 334.405 1.887 20 5 EDBDMO CCC[N@H+](CC(=O)N(C)C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000056510918 441720966 /nfs/dbraw/zinc/72/09/66/441720966.db2.gz REOWFIACZCLUDJ-AWEZNQCLSA-N 1 1 339.392 1.135 20 5 EDBDMO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000138698175 441796897 /nfs/dbraw/zinc/79/68/97/441796897.db2.gz PIXQPDWIMMSMSN-SWLSCSKDSA-N 1 1 347.371 1.874 20 5 EDBDMO C[C@H]1CO[C@@H](CO)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000138698175 441796902 /nfs/dbraw/zinc/79/69/02/441796902.db2.gz PIXQPDWIMMSMSN-SWLSCSKDSA-N 1 1 347.371 1.874 20 5 EDBDMO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000068801090 441855028 /nfs/dbraw/zinc/85/50/28/441855028.db2.gz PTTHXZBHCNBXNX-IRXDYDNUSA-N 1 1 347.415 1.689 20 5 EDBDMO CCc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCOC)cc1[N+](=O)[O-] ZINC000174191839 441900613 /nfs/dbraw/zinc/90/06/13/441900613.db2.gz HADWTLIABIIOKK-OAHLLOKOSA-N 1 1 335.404 1.998 20 5 EDBDMO C[N@@H+](CCCn1ccnc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000124364551 441920914 /nfs/dbraw/zinc/92/09/14/441920914.db2.gz GMIQSXMBJIJEDX-HNNXBMFYSA-N 1 1 334.376 1.553 20 5 EDBDMO COc1ccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000174028421 441879436 /nfs/dbraw/zinc/87/94/36/441879436.db2.gz RWEFLQDMHAXXIF-OAHLLOKOSA-N 1 1 335.404 1.900 20 5 EDBDMO C[C@H]1C[C@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123334473 441884496 /nfs/dbraw/zinc/88/44/96/441884496.db2.gz HCHKIESEWCFPQD-XJKSGUPXSA-N 1 1 334.420 1.972 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000069129372 441895752 /nfs/dbraw/zinc/89/57/52/441895752.db2.gz WSNCAOAHVGSVKA-JTQLQIEISA-N 1 1 343.405 1.364 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000069139121 441897750 /nfs/dbraw/zinc/89/77/50/441897750.db2.gz RFSYGYWIEHPMGG-NSHDSACASA-N 1 1 331.376 1.933 20 5 EDBDMO CC[N@@H+]1CCC[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000069139121 441897757 /nfs/dbraw/zinc/89/77/57/441897757.db2.gz RFSYGYWIEHPMGG-NSHDSACASA-N 1 1 331.376 1.933 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000069139121 441897764 /nfs/dbraw/zinc/89/77/64/441897764.db2.gz RFSYGYWIEHPMGG-NSHDSACASA-N 1 1 331.376 1.933 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000174184617 441899718 /nfs/dbraw/zinc/89/97/18/441899718.db2.gz ILUPUMHHZFDNAP-DZGCQCFKSA-N 1 1 348.403 1.982 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[NH+]1CCOCC1 ZINC000093900742 441899992 /nfs/dbraw/zinc/89/99/92/441899992.db2.gz CGDSPALKGQLCQU-UHFFFAOYSA-N 1 1 335.404 1.972 20 5 EDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126672953 442132941 /nfs/dbraw/zinc/13/29/41/442132941.db2.gz KGXUXNLVIFSFHY-JSGCOSHPSA-N 1 1 333.392 1.267 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000151876140 442133707 /nfs/dbraw/zinc/13/37/07/442133707.db2.gz JQVPPXBLZCBQFJ-ZYHUDNBSSA-N 1 1 346.387 1.583 20 5 EDBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000127834764 442228001 /nfs/dbraw/zinc/22/80/01/442228001.db2.gz WRHIZTFAHWNKHE-ZDUSSCGKSA-N 1 1 347.419 1.790 20 5 EDBDMO COCC[N@@H+](C)CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639596 442239685 /nfs/dbraw/zinc/23/96/85/442239685.db2.gz RKPVNYRPNJXHAW-UHFFFAOYSA-N 1 1 336.392 1.860 20 5 EDBDMO CCc1nn(C)c(N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000129167151 442304504 /nfs/dbraw/zinc/30/45/04/442304504.db2.gz DDTLBBLLQQMORC-VXGBXAGGSA-N 1 1 325.413 1.172 20 5 EDBDMO CCC(=O)N[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000130620637 442351597 /nfs/dbraw/zinc/35/15/97/442351597.db2.gz GDPMTEZYRHOMRL-ZDUSSCGKSA-N 1 1 348.403 1.914 20 5 EDBDMO Cn1cc(C[N@H+]2CCC[C@H](C(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155009355 442370446 /nfs/dbraw/zinc/37/04/46/442370446.db2.gz GUMQDDRLPGAREY-ZDUSSCGKSA-N 1 1 343.387 1.693 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000172048293 442404040 /nfs/dbraw/zinc/40/40/40/442404040.db2.gz MPDJXXUWNRLJNA-AHICOJMPSA-N 1 1 336.388 1.427 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000180868903 442666516 /nfs/dbraw/zinc/66/65/16/442666516.db2.gz YFHRRZSWZXIBDE-CYBMUJFWSA-N 1 1 349.387 1.233 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000180868903 442666517 /nfs/dbraw/zinc/66/65/17/442666517.db2.gz YFHRRZSWZXIBDE-CYBMUJFWSA-N 1 1 349.387 1.233 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](CCO)Cc1cccnc1 ZINC000182016888 442728414 /nfs/dbraw/zinc/72/84/14/442728414.db2.gz HAJXPQGFYUXZLA-OAHLLOKOSA-N 1 1 347.371 1.224 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000193618397 442760073 /nfs/dbraw/zinc/76/00/73/442760073.db2.gz LFWBIOWLFSQNMG-PHIMTYICSA-N 1 1 338.795 1.680 20 5 EDBDMO COc1cc(OCC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268177637 442885323 /nfs/dbraw/zinc/88/53/23/442885323.db2.gz KWJUSRXKMHKDDL-SMDDNHRTSA-N 1 1 349.387 1.581 20 5 EDBDMO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000194154904 442853761 /nfs/dbraw/zinc/85/37/61/442853761.db2.gz ZUQJFAGJITVMTI-STQMWFEESA-N 1 1 341.433 1.994 20 5 EDBDMO COC[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000265765818 442912993 /nfs/dbraw/zinc/91/29/93/442912993.db2.gz HSMKOFCQDYGOLO-JTQLQIEISA-N 1 1 337.332 1.230 20 5 EDBDMO COC[C@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000265765818 442912994 /nfs/dbraw/zinc/91/29/94/442912994.db2.gz HSMKOFCQDYGOLO-JTQLQIEISA-N 1 1 337.332 1.230 20 5 EDBDMO COCC[NH+]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000194556091 442914109 /nfs/dbraw/zinc/91/41/09/442914109.db2.gz HMOHWKSDDXXLDG-CYBMUJFWSA-N 1 1 336.392 1.629 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](COC)C2)c([N+](=O)[O-])c1 ZINC000265837525 442940205 /nfs/dbraw/zinc/94/02/05/442940205.db2.gz VQRKEJKGJBQUJZ-LBPRGKRZSA-N 1 1 337.376 1.900 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](COC)C2)c([N+](=O)[O-])c1 ZINC000265837525 442940208 /nfs/dbraw/zinc/94/02/08/442940208.db2.gz VQRKEJKGJBQUJZ-LBPRGKRZSA-N 1 1 337.376 1.900 20 5 EDBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[N@H+]1CCCOCC1 ZINC000189477095 442963498 /nfs/dbraw/zinc/96/34/98/442963498.db2.gz UKAZOKBOYDDIOS-UHFFFAOYSA-N 1 1 346.387 1.457 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184618983 443049656 /nfs/dbraw/zinc/04/96/56/443049656.db2.gz AYDAWYUFZAFPJE-CQSZACIVSA-N 1 1 341.433 1.841 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000266331735 443100047 /nfs/dbraw/zinc/10/00/47/443100047.db2.gz KIVRPZDAQNDODF-ZIAGYGMSSA-N 1 1 335.404 1.820 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000266331735 443100052 /nfs/dbraw/zinc/10/00/52/443100052.db2.gz KIVRPZDAQNDODF-ZIAGYGMSSA-N 1 1 335.404 1.820 20 5 EDBDMO C[C@H](C[S@](C)=O)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185103594 443137939 /nfs/dbraw/zinc/13/79/39/443137939.db2.gz NCOIETUKSPPLLL-IWGBLYGRSA-N 1 1 330.406 1.033 20 5 EDBDMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000268816953 443117300 /nfs/dbraw/zinc/11/73/00/443117300.db2.gz WCRQFZUCILVWHA-CABZTGNLSA-N 1 1 343.380 1.495 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000268816953 443117302 /nfs/dbraw/zinc/11/73/02/443117302.db2.gz WCRQFZUCILVWHA-CABZTGNLSA-N 1 1 343.380 1.495 20 5 EDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc2C1 ZINC000266507298 443150282 /nfs/dbraw/zinc/15/02/82/443150282.db2.gz CFZPCSGYZWLGSV-NVXWUHKLSA-N 1 1 330.388 1.642 20 5 EDBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000268956767 443158872 /nfs/dbraw/zinc/15/88/72/443158872.db2.gz DOPJPXCPLNWVGX-PBHICJAKSA-N 1 1 346.431 1.894 20 5 EDBDMO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245438448 443227568 /nfs/dbraw/zinc/22/75/68/443227568.db2.gz FHRWCVILSBOSNJ-QWHCGFSZSA-N 1 1 335.408 1.781 20 5 EDBDMO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245438448 443227569 /nfs/dbraw/zinc/22/75/69/443227569.db2.gz FHRWCVILSBOSNJ-QWHCGFSZSA-N 1 1 335.408 1.781 20 5 EDBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C(C)C)c1[N+](=O)[O-] ZINC000185780060 443255884 /nfs/dbraw/zinc/25/58/84/443255884.db2.gz GWJFLFCPUZHJFU-NWDGAFQWSA-N 1 1 335.408 1.968 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC000185780060 443255888 /nfs/dbraw/zinc/25/58/88/443255888.db2.gz GWJFLFCPUZHJFU-NWDGAFQWSA-N 1 1 335.408 1.968 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C(C)C)c1[N+](=O)[O-] ZINC000185780060 443255892 /nfs/dbraw/zinc/25/58/92/443255892.db2.gz GWJFLFCPUZHJFU-NWDGAFQWSA-N 1 1 335.408 1.968 20 5 EDBDMO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000191267365 443269026 /nfs/dbraw/zinc/26/90/26/443269026.db2.gz UMODUVYUHUTCRP-RYUDHWBXSA-N 1 1 333.388 1.718 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185863351 443270900 /nfs/dbraw/zinc/27/09/00/443270900.db2.gz OADDAYUQWLKSFH-GFCCVEGCSA-N 1 1 327.406 1.557 20 5 EDBDMO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@H+]1CC(C)(C)O ZINC000278447015 443334343 /nfs/dbraw/zinc/33/43/43/443334343.db2.gz RHQIIGAQBCHCQV-GFCCVEGCSA-N 1 1 334.420 1.844 20 5 EDBDMO Cc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269669583 443388000 /nfs/dbraw/zinc/38/80/00/443388000.db2.gz JZQXJZXXMXPACP-WCQYABFASA-N 1 1 333.392 1.715 20 5 EDBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269669583 443388007 /nfs/dbraw/zinc/38/80/07/443388007.db2.gz JZQXJZXXMXPACP-WCQYABFASA-N 1 1 333.392 1.715 20 5 EDBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269669583 443388013 /nfs/dbraw/zinc/38/80/13/443388013.db2.gz JZQXJZXXMXPACP-WCQYABFASA-N 1 1 333.392 1.715 20 5 EDBDMO CC[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@H+]1C[C@H](C)O ZINC000264788948 443425930 /nfs/dbraw/zinc/42/59/30/443425930.db2.gz RWOVWOKLEHYABB-QWRGUYRKSA-N 1 1 335.364 1.412 20 5 EDBDMO Cc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278757491 443427252 /nfs/dbraw/zinc/42/72/52/443427252.db2.gz XNCRZTOPUUUDJW-STQMWFEESA-N 1 1 336.392 1.822 20 5 EDBDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000264945421 443486261 /nfs/dbraw/zinc/48/62/61/443486261.db2.gz JJVWDIKZCPDFJR-VXGBXAGGSA-N 1 1 330.406 1.727 20 5 EDBDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000264945421 443486265 /nfs/dbraw/zinc/48/62/65/443486265.db2.gz JJVWDIKZCPDFJR-VXGBXAGGSA-N 1 1 330.406 1.727 20 5 EDBDMO Cc1nc(CC[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])no1 ZINC000272947503 443497898 /nfs/dbraw/zinc/49/78/98/443497898.db2.gz PCRYNGFIRIVOTF-GFCCVEGCSA-N 1 1 336.348 1.200 20 5 EDBDMO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000283399936 443623411 /nfs/dbraw/zinc/62/34/11/443623411.db2.gz FINZEHWGBDTQNM-AWEZNQCLSA-N 1 1 328.376 1.675 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279778518 443626890 /nfs/dbraw/zinc/62/68/90/443626890.db2.gz NMECKZCVGGQBCS-CQSZACIVSA-N 1 1 337.376 1.635 20 5 EDBDMO CCn1cnc2c(c1=O)CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000286025219 443628520 /nfs/dbraw/zinc/62/85/20/443628520.db2.gz HOKHFIKYAXFMTL-MRXNPFEDSA-N 1 1 344.371 1.263 20 5 EDBDMO CCn1cnc2c(c1=O)CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000286025219 443628525 /nfs/dbraw/zinc/62/85/25/443628525.db2.gz HOKHFIKYAXFMTL-MRXNPFEDSA-N 1 1 344.371 1.263 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000453013752 320258084 /nfs/dbraw/zinc/25/80/84/320258084.db2.gz TZZKRSMGZOMJNW-HIFRSBDPSA-N 1 1 331.372 1.720 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000492783979 320386179 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CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000373289197 446146100 /nfs/dbraw/zinc/14/61/00/446146100.db2.gz PJTVDJHZYDQTLY-NSHDSACASA-N 1 1 344.375 1.808 20 5 EDBDMO CCOC(=O)c1ccnc(N[C@H]2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000370270225 446206325 /nfs/dbraw/zinc/20/63/25/446206325.db2.gz HRJBVOBVFSLGGC-VIFPVBQESA-N 1 1 331.332 1.859 20 5 EDBDMO CCOC(=O)c1ccnc(N[C@H]2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-] ZINC000370270225 446206329 /nfs/dbraw/zinc/20/63/29/446206329.db2.gz HRJBVOBVFSLGGC-VIFPVBQESA-N 1 1 331.332 1.859 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362092540 446207643 /nfs/dbraw/zinc/20/76/43/446207643.db2.gz ABVFUZZQSIYHOL-SDDRHHMPSA-N 1 1 337.376 1.491 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362092540 446207646 /nfs/dbraw/zinc/20/76/46/446207646.db2.gz ABVFUZZQSIYHOL-SDDRHHMPSA-N 1 1 337.376 1.491 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000370366054 446248900 /nfs/dbraw/zinc/24/89/00/446248900.db2.gz IRVFJKTXYNXQMS-GOEBONIOSA-N 1 1 332.404 1.873 20 5 EDBDMO O=C(c1cccc([N+](=O)[O-])c1F)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000370577016 446339041 /nfs/dbraw/zinc/33/90/41/446339041.db2.gz XWZDBJQOURVNAR-GFCCVEGCSA-N 1 1 337.351 1.528 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@H]2Cn2ccnn2)c1 ZINC000370706406 446395225 /nfs/dbraw/zinc/39/52/25/446395225.db2.gz BESFOPQQZXPPQU-JKSUJKDBSA-N 1 1 331.376 1.774 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000411251540 446445067 /nfs/dbraw/zinc/44/50/67/446445067.db2.gz IBGXKIOBFDZJHD-CHWSQXEVSA-N 1 1 348.403 1.749 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452800576 446475641 /nfs/dbraw/zinc/47/56/41/446475641.db2.gz RRMUJLOIVHPTFM-NSHDSACASA-N 1 1 341.795 1.825 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000420315265 446479761 /nfs/dbraw/zinc/47/97/61/446479761.db2.gz WTSZJNXBSVLALT-GOEBONIOSA-N 1 1 346.431 1.860 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000411400885 446519011 /nfs/dbraw/zinc/51/90/11/446519011.db2.gz VRXXDSCSFATLHR-GFCCVEGCSA-N 1 1 334.376 1.394 20 5 EDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCCN1CCC([NH3+])CC1 ZINC000433138166 446535615 /nfs/dbraw/zinc/53/56/15/446535615.db2.gz RDDSVJFYXVRNCD-UHFFFAOYSA-N 1 1 334.420 1.757 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000375042368 446537369 /nfs/dbraw/zinc/53/73/69/446537369.db2.gz SHQCEVZKVLLZLB-OCCSQVGLSA-N 1 1 339.417 1.618 20 5 EDBDMO [NH3+]Cc1cn([C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000420390777 446567634 /nfs/dbraw/zinc/56/76/34/446567634.db2.gz ZWCWUFLKOHROME-AWEZNQCLSA-N 1 1 346.391 1.361 20 5 EDBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000371125042 446641141 /nfs/dbraw/zinc/64/11/41/446641141.db2.gz XPNMYYOIFWINLA-LBPRGKRZSA-N 1 1 332.364 1.241 20 5 EDBDMO CC[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000420592533 446695061 /nfs/dbraw/zinc/69/50/61/446695061.db2.gz AZLPRMWCVQKULL-GFCCVEGCSA-N 1 1 336.392 1.241 20 5 EDBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000376728525 446681257 /nfs/dbraw/zinc/68/12/57/446681257.db2.gz LEPVNFMAUPHIGQ-UHFFFAOYSA-N 1 1 344.327 1.786 20 5 EDBDMO O=C(CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)NC1CCCC1 ZINC000375405623 446778182 /nfs/dbraw/zinc/77/81/82/446778182.db2.gz RUBAQACVPXYXFS-AWEZNQCLSA-N 1 1 335.408 1.877 20 5 EDBDMO COc1cc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000371284575 446742963 /nfs/dbraw/zinc/74/29/63/446742963.db2.gz SIPXHRPUNZDHSQ-KBPBESRZSA-N 1 1 349.387 1.587 20 5 EDBDMO COc1cc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000371284575 446742965 /nfs/dbraw/zinc/74/29/65/446742965.db2.gz SIPXHRPUNZDHSQ-KBPBESRZSA-N 1 1 349.387 1.587 20 5 EDBDMO C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000454493670 446893289 /nfs/dbraw/zinc/89/32/89/446893289.db2.gz VWFCFZQDJCDWNE-WFASDCNBSA-N 1 1 335.408 1.201 20 5 EDBDMO Cc1nn(CCC(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000368658577 447011243 /nfs/dbraw/zinc/01/12/43/447011243.db2.gz MDXXJNUBZPAKMF-WFASDCNBSA-N 1 1 349.435 1.883 20 5 EDBDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372478035 447074735 /nfs/dbraw/zinc/07/47/35/447074735.db2.gz NBJIGUKLCSMQBB-HIFRSBDPSA-N 1 1 335.408 1.829 20 5 EDBDMO CC[N@H+]1CC[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000413485815 447197637 /nfs/dbraw/zinc/19/76/37/447197637.db2.gz IHEITGBHRMOJBU-JTQLQIEISA-N 1 1 332.364 1.365 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421701858 447222982 /nfs/dbraw/zinc/22/29/82/447222982.db2.gz IPCRBZWMVDTADE-OAHLLOKOSA-N 1 1 343.387 1.947 20 5 EDBDMO CNc1nc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000456036877 447287666 /nfs/dbraw/zinc/28/76/66/447287666.db2.gz KNMRDPLDTDIFNN-LBPRGKRZSA-N 1 1 333.392 1.778 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372754544 447270627 /nfs/dbraw/zinc/27/06/27/447270627.db2.gz ZFGNLOGKMLMIMA-HNNXBMFYSA-N 1 1 337.420 1.752 20 5 EDBDMO C[C@@H](CO)N1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372754544 447270631 /nfs/dbraw/zinc/27/06/31/447270631.db2.gz ZFGNLOGKMLMIMA-HNNXBMFYSA-N 1 1 337.420 1.752 20 5 EDBDMO C[C@@H](CO)N1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372754544 447270637 /nfs/dbraw/zinc/27/06/37/447270637.db2.gz ZFGNLOGKMLMIMA-HNNXBMFYSA-N 1 1 337.420 1.752 20 5 EDBDMO Cc1ccsc1[C@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494655048 447454047 /nfs/dbraw/zinc/45/40/47/447454047.db2.gz JKINYZPRMRCLPY-LBPRGKRZSA-N 1 1 335.385 1.887 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450347176 447462585 /nfs/dbraw/zinc/46/25/85/447462585.db2.gz HFLCWLPTUHVCAX-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450347176 447462590 /nfs/dbraw/zinc/46/25/90/447462590.db2.gz HFLCWLPTUHVCAX-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450797095 447580765 /nfs/dbraw/zinc/58/07/65/447580765.db2.gz TUUTWOAQQSFJKR-WBMJQRKESA-N 1 1 330.388 1.627 20 5 EDBDMO CCc1ccc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416318077 447570893 /nfs/dbraw/zinc/57/08/93/447570893.db2.gz XKTJDOFACKZEPP-CHWSQXEVSA-N 1 1 335.404 1.684 20 5 EDBDMO CCc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416318077 447570900 /nfs/dbraw/zinc/57/09/00/447570900.db2.gz XKTJDOFACKZEPP-CHWSQXEVSA-N 1 1 335.404 1.684 20 5 EDBDMO Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416569483 447651801 /nfs/dbraw/zinc/65/18/01/447651801.db2.gz YLGAPPVDDTZYPI-CYBMUJFWSA-N 1 1 341.433 1.913 20 5 EDBDMO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1c(C)nn(C)c1C ZINC000459563209 447707043 /nfs/dbraw/zinc/70/70/43/447707043.db2.gz HBUQMRUIGNZGJK-UHFFFAOYSA-N 1 1 336.396 1.290 20 5 EDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1c(C)nn(C)c1C ZINC000459563209 447707050 /nfs/dbraw/zinc/70/70/50/447707050.db2.gz HBUQMRUIGNZGJK-UHFFFAOYSA-N 1 1 336.396 1.290 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@](O)(CO)C3)o2)c1 ZINC000459634615 447727562 /nfs/dbraw/zinc/72/75/62/447727562.db2.gz OOJPUHMQNFGSBE-KRWDZBQOSA-N 1 1 347.371 1.612 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487972011 447839872 /nfs/dbraw/zinc/83/98/72/447839872.db2.gz LKLMJYPERNHDTJ-UHFFFAOYSA-N 1 1 331.420 1.860 20 5 EDBDMO CN(CCCNc1c2ccccc2ncc1[N+](=O)[O-])CC[NH+](C)C ZINC000487972011 447839873 /nfs/dbraw/zinc/83/98/73/447839873.db2.gz LKLMJYPERNHDTJ-UHFFFAOYSA-N 1 1 331.420 1.860 20 5 EDBDMO C[N@H+]1CC[C@@](O)(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000577225327 448243589 /nfs/dbraw/zinc/24/35/89/448243589.db2.gz OGWIIJQXZVRMNC-QWHCGFSZSA-N 1 1 333.310 1.854 20 5 EDBDMO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000591241500 448297138 /nfs/dbraw/zinc/29/71/38/448297138.db2.gz MDACLAWMDSSBGW-HNNXBMFYSA-N 1 1 331.372 1.558 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000591529189 448382653 /nfs/dbraw/zinc/38/26/53/448382653.db2.gz BEWAQMWBXHEEDW-NVXWUHKLSA-N 1 1 347.415 1.883 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000584505758 448548572 /nfs/dbraw/zinc/54/85/72/448548572.db2.gz JBKSDOYEWQPZFI-NSHDSACASA-N 1 1 341.433 1.832 20 5 EDBDMO O=C(NCc1ccccc1)[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592156326 448716754 /nfs/dbraw/zinc/71/67/54/448716754.db2.gz YHVCJVOYBQCRKK-HNNXBMFYSA-N 1 1 343.387 1.430 20 5 EDBDMO Cc1cc(C[C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000574071871 448785741 /nfs/dbraw/zinc/78/57/41/448785741.db2.gz NLUPWQBXIMVTPA-BXUZGUMPSA-N 1 1 334.376 1.587 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586756913 448799803 /nfs/dbraw/zinc/79/98/03/448799803.db2.gz GGUGCXUDZJWGOP-CQSZACIVSA-N 1 1 343.387 1.960 20 5 EDBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860203 448942022 /nfs/dbraw/zinc/94/20/22/448942022.db2.gz GLWJJXYQPLTCEJ-CHWSQXEVSA-N 1 1 344.371 1.357 20 5 EDBDMO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000592882360 449035344 /nfs/dbraw/zinc/03/53/44/449035344.db2.gz RNEHACORXZIWKY-KGLIPLIRSA-N 1 1 343.387 1.702 20 5 EDBDMO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000589924522 449081353 /nfs/dbraw/zinc/08/13/53/449081353.db2.gz GJSPHESCVXBOBV-CABZTGNLSA-N 1 1 345.808 1.573 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000589924522 449081359 /nfs/dbraw/zinc/08/13/59/449081359.db2.gz GJSPHESCVXBOBV-CABZTGNLSA-N 1 1 345.808 1.573 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000589928217 449083111 /nfs/dbraw/zinc/08/31/11/449083111.db2.gz DUWMDIASJBWDFS-JSGCOSHPSA-N 1 1 339.417 1.536 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000589930186 449084983 /nfs/dbraw/zinc/08/49/83/449084983.db2.gz UBCRTMUSUQNXQY-SKDRFNHKSA-N 1 1 345.808 1.573 20 5 EDBDMO COC(=O)COc1ccc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590052450 449100657 /nfs/dbraw/zinc/10/06/57/449100657.db2.gz CEYNCZOROVQLPJ-DZGCQCFKSA-N 1 1 349.387 1.283 20 5 EDBDMO O=C1[C@H]([NH+]2CCC(C3(O)CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000593049260 449114757 /nfs/dbraw/zinc/11/47/57/449114757.db2.gz JKKMNYYTVTYBCY-MRXNPFEDSA-N 1 1 345.399 1.937 20 5 EDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](CCCF)CC1 ZINC000600072139 449171323 /nfs/dbraw/zinc/17/13/23/449171323.db2.gz NCCQNLNNKSQAFD-UHFFFAOYSA-N 1 1 325.340 1.477 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)CCO ZINC000593107494 449138639 /nfs/dbraw/zinc/13/86/39/449138639.db2.gz KNAKDYVDKPDVPA-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)CCO)c([N+](=O)[O-])c1 ZINC000593108538 449138716 /nfs/dbraw/zinc/13/87/16/449138716.db2.gz XQUICDWUDMREIN-LLVKDONJSA-N 1 1 325.365 1.635 20 5 EDBDMO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000593669734 449140604 /nfs/dbraw/zinc/14/06/04/449140604.db2.gz CMDCCPMKQZILBQ-MBNYWOFBSA-N 1 1 329.360 1.271 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593114615 449141505 /nfs/dbraw/zinc/14/15/05/449141505.db2.gz CGEMSJQAFZWHJX-BLLLJJGKSA-N 1 1 348.378 1.953 20 5 EDBDMO Cc1sc(C(=O)N2CC(C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000590392392 449145842 /nfs/dbraw/zinc/14/58/42/449145842.db2.gz SPBFTVQXKNMJTF-UHFFFAOYSA-N 1 1 325.390 1.369 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC2(COC2)C1 ZINC000595833506 449196571 /nfs/dbraw/zinc/19/65/71/449196571.db2.gz LOYLXJGXLYRADZ-LLVKDONJSA-N 1 1 335.360 1.653 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC2(COC2)C1 ZINC000595833506 449196577 /nfs/dbraw/zinc/19/65/77/449196577.db2.gz LOYLXJGXLYRADZ-LLVKDONJSA-N 1 1 335.360 1.653 20 5 EDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000590577935 449199717 /nfs/dbraw/zinc/19/97/17/449199717.db2.gz JRJWZQCJEMXGKD-GFCCVEGCSA-N 1 1 336.392 1.945 20 5 EDBDMO COc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000611184952 449207304 /nfs/dbraw/zinc/20/73/04/449207304.db2.gz HDGJDVFGGSFNJS-UHFFFAOYSA-N 1 1 347.371 1.906 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000593250409 449187752 /nfs/dbraw/zinc/18/77/52/449187752.db2.gz MHNHXMVQYJWOJD-HNNXBMFYSA-N 1 1 342.399 1.932 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000593250409 449187759 /nfs/dbraw/zinc/18/77/59/449187759.db2.gz MHNHXMVQYJWOJD-HNNXBMFYSA-N 1 1 342.399 1.932 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000593250410 449188280 /nfs/dbraw/zinc/18/82/80/449188280.db2.gz MHNHXMVQYJWOJD-OAHLLOKOSA-N 1 1 342.399 1.932 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000593250410 449188282 /nfs/dbraw/zinc/18/82/82/449188282.db2.gz MHNHXMVQYJWOJD-OAHLLOKOSA-N 1 1 342.399 1.932 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c([N+](=O)[O-])c1 ZINC000595828473 449191151 /nfs/dbraw/zinc/19/11/51/449191151.db2.gz KOZDIGYPMUSIQL-GFCCVEGCSA-N 1 1 346.387 1.138 20 5 EDBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856689 449239737 /nfs/dbraw/zinc/23/97/37/449239737.db2.gz ZHWWPJSOKJGQJF-MRXNPFEDSA-N 1 1 348.403 1.064 20 5 EDBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856689 449239742 /nfs/dbraw/zinc/23/97/42/449239742.db2.gz ZHWWPJSOKJGQJF-MRXNPFEDSA-N 1 1 348.403 1.064 20 5 EDBDMO COc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(F)cc1[N+](=O)[O-] ZINC000611255941 449240775 /nfs/dbraw/zinc/24/07/75/449240775.db2.gz CCMPJARQEALFBC-IUODEOHRSA-N 1 1 339.367 1.778 20 5 EDBDMO O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000602134395 449371395 /nfs/dbraw/zinc/37/13/95/449371395.db2.gz WOHJYUWTYZSWEE-INIZCTEOSA-N 1 1 330.388 1.891 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593541279 449334605 /nfs/dbraw/zinc/33/46/05/449334605.db2.gz JVFBGKVCSGZIQK-LLVKDONJSA-N 1 1 328.394 1.143 20 5 EDBDMO CNc1ccc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000598452264 449402128 /nfs/dbraw/zinc/40/21/28/449402128.db2.gz IBYIIQCIWCUGQR-AWEZNQCLSA-N 1 1 348.403 1.308 20 5 EDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598452082 449402246 /nfs/dbraw/zinc/40/22/46/449402246.db2.gz GUFRQKPHGLWBRZ-INIZCTEOSA-N 1 1 333.388 1.195 20 5 EDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596214607 449420962 /nfs/dbraw/zinc/42/09/62/449420962.db2.gz XFJJZTWIHZLNPJ-LBPRGKRZSA-N 1 1 348.403 1.383 20 5 EDBDMO O=[N+]([O-])c1cccc2ncnc(N3CC(C[NH+]4CCOCC4)C3)c21 ZINC000596239279 449433547 /nfs/dbraw/zinc/43/35/47/449433547.db2.gz FJFYMRHHRCZJEP-UHFFFAOYSA-N 1 1 329.360 1.306 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594325065 449450884 /nfs/dbraw/zinc/45/08/84/449450884.db2.gz AUIOCRJUQFMTIG-LSDHHAIUSA-N 1 1 346.387 1.666 20 5 EDBDMO Cc1nc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596422161 449494126 /nfs/dbraw/zinc/49/41/26/449494126.db2.gz BNWPFWPWYICHAW-MRXNPFEDSA-N 1 1 342.399 2.477 20 5 EDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1([NH3+])CCOCC1 ZINC000600678165 449487071 /nfs/dbraw/zinc/48/70/71/449487071.db2.gz MSYXSTDZIPHQHU-GFCCVEGCSA-N 1 1 336.392 1.409 20 5 EDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N)CCOCC1 ZINC000600678165 449487080 /nfs/dbraw/zinc/48/70/80/449487080.db2.gz MSYXSTDZIPHQHU-GFCCVEGCSA-N 1 1 336.392 1.409 20 5 EDBDMO COCC[N@@H+](C)C[C@@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000594571679 449578255 /nfs/dbraw/zinc/57/82/55/449578255.db2.gz VBFQUXZSTJZRQU-MRXNPFEDSA-N 1 1 334.376 1.397 20 5 EDBDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594749881 449665849 /nfs/dbraw/zinc/66/58/49/449665849.db2.gz CTYYHSCSOTZWKE-JTQLQIEISA-N 1 1 336.373 1.125 20 5 EDBDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594749881 449665852 /nfs/dbraw/zinc/66/58/52/449665852.db2.gz CTYYHSCSOTZWKE-JTQLQIEISA-N 1 1 336.373 1.125 20 5 EDBDMO C[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000598904405 449640113 /nfs/dbraw/zinc/64/01/13/449640113.db2.gz XHLWMSLJUBXIKC-TXEJJXNPSA-N 1 1 349.391 1.267 20 5 EDBDMO CC[N@H+]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000598905752 449641380 /nfs/dbraw/zinc/64/13/80/449641380.db2.gz MTLBLPSWOHQQHO-LBPRGKRZSA-N 1 1 349.391 1.269 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594790547 449699456 /nfs/dbraw/zinc/69/94/56/449699456.db2.gz MPKBCRZLWHBACM-NSHDSACASA-N 1 1 342.421 1.389 20 5 EDBDMO C[C@H](C[S@](C)=O)[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602616689 449706951 /nfs/dbraw/zinc/70/69/51/449706951.db2.gz WVQVVTPNUKHOBG-SPSFWMDKSA-N 1 1 340.449 1.657 20 5 EDBDMO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000601165452 449728151 /nfs/dbraw/zinc/72/81/51/449728151.db2.gz OZNSMDMOXLDNAQ-LBPRGKRZSA-N 1 1 338.383 1.347 20 5 EDBDMO O=[N+]([O-])c1cccc2ncnc(NC3CC([NH+]4CCOCC4)C3)c21 ZINC000599095932 449728980 /nfs/dbraw/zinc/72/89/80/449728980.db2.gz YVPREVNXBWLJTD-UHFFFAOYSA-N 1 1 329.360 1.813 20 5 EDBDMO COC(=O)c1c(Cl)c(NCC[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599175648 449780615 /nfs/dbraw/zinc/78/06/15/449780615.db2.gz GRASINGIAPXKCA-SECBINFHSA-N 1 1 343.767 1.513 20 5 EDBDMO COC(=O)c1c(Cl)c(NCC[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599175648 449780620 /nfs/dbraw/zinc/78/06/20/449780620.db2.gz GRASINGIAPXKCA-SECBINFHSA-N 1 1 343.767 1.513 20 5 EDBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000602692967 449753645 /nfs/dbraw/zinc/75/36/45/449753645.db2.gz KDLKKUJZAXXEMK-ZWNOBZJWSA-N 1 1 334.294 1.789 20 5 EDBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000602692967 449753647 /nfs/dbraw/zinc/75/36/47/449753647.db2.gz KDLKKUJZAXXEMK-ZWNOBZJWSA-N 1 1 334.294 1.789 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000601319298 449827289 /nfs/dbraw/zinc/82/72/89/449827289.db2.gz ZBRSIKXUCNBSKU-UHFFFAOYSA-N 1 1 331.369 1.415 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2cnccc2C)CC1 ZINC000602825380 449836827 /nfs/dbraw/zinc/83/68/27/449836827.db2.gz KRTDXIRMLKKDFN-UHFFFAOYSA-N 1 1 330.392 1.625 20 5 EDBDMO COc1ccc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614895203 449864765 /nfs/dbraw/zinc/86/47/65/449864765.db2.gz PWSGGLYZYAJNAX-UHFFFAOYSA-N 1 1 337.376 1.132 20 5 EDBDMO COc1ccc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614895203 449864770 /nfs/dbraw/zinc/86/47/70/449864770.db2.gz PWSGGLYZYAJNAX-UHFFFAOYSA-N 1 1 337.376 1.132 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H](O)CC3(O)CCC3)C2)nc1 ZINC000599326226 449894548 /nfs/dbraw/zinc/89/45/48/449894548.db2.gz TYJBBHXONWMJGI-JSGCOSHPSA-N 1 1 336.392 1.142 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCO[C@H]3CC3(F)F)C2)nc1 ZINC000595373222 450087052 /nfs/dbraw/zinc/08/70/52/450087052.db2.gz YQBNVXSOAJHACA-JQWIXIFHSA-N 1 1 328.319 1.900 20 5 EDBDMO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000597580358 450123241 /nfs/dbraw/zinc/12/32/41/450123241.db2.gz NYNASFIFLHBLTO-CHWSQXEVSA-N 1 1 337.351 1.862 20 5 EDBDMO COC[C@@]1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000599701170 450163052 /nfs/dbraw/zinc/16/30/52/450163052.db2.gz XPVZMJGHCZFVCN-XJKSGUPXSA-N 1 1 340.376 1.072 20 5 EDBDMO COC[C@@]1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000599701170 450163054 /nfs/dbraw/zinc/16/30/54/450163054.db2.gz XPVZMJGHCZFVCN-XJKSGUPXSA-N 1 1 340.376 1.072 20 5 EDBDMO CCC1(N2CCOCC2)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000599669476 450141358 /nfs/dbraw/zinc/14/13/58/450141358.db2.gz MSKZVMWXPFXHFH-UHFFFAOYSA-N 1 1 337.424 1.368 20 5 EDBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000597678626 450189417 /nfs/dbraw/zinc/18/94/17/450189417.db2.gz NCGDLXUHHLXMIU-GFCCVEGCSA-N 1 1 336.392 1.259 20 5 EDBDMO COc1c(C(=O)N2CC(C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000597682035 450193806 /nfs/dbraw/zinc/19/38/06/450193806.db2.gz LNGOTNKGLXXRKI-UHFFFAOYSA-N 1 1 335.360 1.008 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000619873367 450348609 /nfs/dbraw/zinc/34/86/09/450348609.db2.gz HMVNHIIHZFWVOF-GFCCVEGCSA-N 1 1 338.795 1.368 20 5 EDBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000619478805 450484972 /nfs/dbraw/zinc/48/49/72/450484972.db2.gz VHIRRKMWUFICJW-SNVBAGLBSA-N 1 1 341.389 1.118 20 5 EDBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000619478805 450484973 /nfs/dbraw/zinc/48/49/73/450484973.db2.gz VHIRRKMWUFICJW-SNVBAGLBSA-N 1 1 341.389 1.118 20 5 EDBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000619482724 450486155 /nfs/dbraw/zinc/48/61/55/450486155.db2.gz QVLILJXACHPIRO-NSHDSACASA-N 1 1 343.405 1.224 20 5 EDBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000610399657 491191990 /nfs/dbraw/zinc/19/19/90/491191990.db2.gz XCHHVHWBFSMBOR-QWHCGFSZSA-N 1 1 348.403 1.171 20 5 EDBDMO CC(=O)Nc1cccc2c1CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000174831096 527086167 /nfs/dbraw/zinc/08/61/67/527086167.db2.gz YGUZZPFHSLKPGH-UHFFFAOYSA-N 1 1 329.360 1.808 20 5 EDBDMO CC(=O)Nc1cccc2c1CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000174831096 527086177 /nfs/dbraw/zinc/08/61/77/527086177.db2.gz YGUZZPFHSLKPGH-UHFFFAOYSA-N 1 1 329.360 1.808 20 5 EDBDMO CCN1CC[NH+](CCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000272094073 535685146 /nfs/dbraw/zinc/68/51/46/535685146.db2.gz KAPMJPXLMHOUHY-CQSZACIVSA-N 1 1 334.420 1.800 20 5 EDBDMO CCc1nocc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000339350213 535906371 /nfs/dbraw/zinc/90/63/71/535906371.db2.gz ZIODHWGBNXBRSS-UHFFFAOYSA-N 1 1 339.373 1.709 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000272679292 536871440 /nfs/dbraw/zinc/87/14/40/536871440.db2.gz VDRHEJKFSBBDCB-IAQYHMDHSA-N 1 1 347.371 1.548 20 5 EDBDMO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000729921227 578599752 /nfs/dbraw/zinc/59/97/52/578599752.db2.gz SOEDSIQNPUEVMI-UKRRQHHQSA-N 1 1 345.403 1.572 20 5 EDBDMO C[NH+]1CCN(C(=O)CNc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000731209246 578670817 /nfs/dbraw/zinc/67/08/17/578670817.db2.gz NUECPUZUNLGQLE-UHFFFAOYSA-N 1 1 335.389 1.390 20 5 EDBDMO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732034706 578687924 /nfs/dbraw/zinc/68/79/24/578687924.db2.gz GOFXYPQFNNEBMR-GFCCVEGCSA-N 1 1 337.351 1.808 20 5 EDBDMO O=c1[nH]cnc2cc(N3CC[NH+](CCCCO)CC3)c([N+](=O)[O-])cc12 ZINC000750181153 579754927 /nfs/dbraw/zinc/75/49/27/579754927.db2.gz QSDPONUVNSATSF-UHFFFAOYSA-N 1 1 347.375 1.138 20 5 EDBDMO O=C(OCC[NH+]1CCSCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000757946357 579973511 /nfs/dbraw/zinc/97/35/11/579973511.db2.gz WBESNOKTFCIOAR-UHFFFAOYSA-N 1 1 340.357 1.529 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000776277031 580413755 /nfs/dbraw/zinc/41/37/55/580413755.db2.gz MGFQMSJNJMJZCD-OAHLLOKOSA-N 1 1 329.360 1.240 20 5 EDBDMO CCOC(=O)N1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581775 580422079 /nfs/dbraw/zinc/42/20/79/580422079.db2.gz LZPOXPHIOZPEQU-HNNXBMFYSA-N 1 1 337.376 1.792 20 5 EDBDMO CCOC(=O)N1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581775 580422080 /nfs/dbraw/zinc/42/20/80/580422080.db2.gz LZPOXPHIOZPEQU-HNNXBMFYSA-N 1 1 337.376 1.792 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000780867635 580535896 /nfs/dbraw/zinc/53/58/96/580535896.db2.gz RRFPWYCVSIUMDH-LBPRGKRZSA-N 1 1 341.433 1.920 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1C ZINC000780867546 580536009 /nfs/dbraw/zinc/53/60/09/580536009.db2.gz MYVUTDRFLFFZDR-ZDUSSCGKSA-N 1 1 341.433 1.974 20 5 EDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000784646016 580625546 /nfs/dbraw/zinc/62/55/46/580625546.db2.gz HUJUGCWXEDWFQL-ZDUSSCGKSA-N 1 1 345.403 1.932 20 5 EDBDMO CC1(C)OCC(CO)([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CO1 ZINC000788000139 580712831 /nfs/dbraw/zinc/71/28/31/580712831.db2.gz QUUASMTYGKPOOX-UHFFFAOYSA-N 1 1 330.768 1.852 20 5 EDBDMO Cc1cc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000788196552 580713685 /nfs/dbraw/zinc/71/36/85/580713685.db2.gz SGIWRCQVHXDRGM-UHFFFAOYSA-N 1 1 330.348 1.171 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1F ZINC000790868922 580780330 /nfs/dbraw/zinc/78/03/30/580780330.db2.gz XIBTYAVVWMAQSR-MFKMUULPSA-N 1 1 325.340 1.491 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1F ZINC000790868922 580780331 /nfs/dbraw/zinc/78/03/31/580780331.db2.gz XIBTYAVVWMAQSR-MFKMUULPSA-N 1 1 325.340 1.491 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1F ZINC000866870408 590777245 /nfs/dbraw/zinc/77/72/45/590777245.db2.gz IJGQDEGAWCYTEM-NSHDSACASA-N 1 1 345.396 1.757 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000866870408 590777249 /nfs/dbraw/zinc/77/72/49/590777249.db2.gz IJGQDEGAWCYTEM-NSHDSACASA-N 1 1 345.396 1.757 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)OCCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000893387998 590828264 /nfs/dbraw/zinc/82/82/64/590828264.db2.gz DRELDBYQTSVZCX-LBPRGKRZSA-N 1 1 338.360 1.871 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)OCCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000893387998 590828269 /nfs/dbraw/zinc/82/82/69/590828269.db2.gz DRELDBYQTSVZCX-LBPRGKRZSA-N 1 1 338.360 1.871 20 5 EDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000891618344 591151686 /nfs/dbraw/zinc/15/16/86/591151686.db2.gz OWSMGDADNHWKGT-CYBMUJFWSA-N 1 1 335.408 1.790 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1CCC[N@@H+]1CCCO ZINC000894022142 591168994 /nfs/dbraw/zinc/16/89/94/591168994.db2.gz NNONNJPURXCMSJ-CYBMUJFWSA-N 1 1 348.378 1.963 20 5 EDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000892930686 591228931 /nfs/dbraw/zinc/22/89/31/591228931.db2.gz ZUECNEHKZUNQIT-ZDUSSCGKSA-N 1 1 336.392 1.757 20 5 EDBDMO COCCO[C@@H]1CCC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000894265367 591255694 /nfs/dbraw/zinc/25/56/94/591255694.db2.gz VQUMTENAROZQOS-CYBMUJFWSA-N 1 1 340.376 1.936 20 5 EDBDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000894265367 591255696 /nfs/dbraw/zinc/25/56/96/591255696.db2.gz VQUMTENAROZQOS-CYBMUJFWSA-N 1 1 340.376 1.936 20 5 EDBDMO C[C@H]1[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895740921 591262955 /nfs/dbraw/zinc/26/29/55/591262955.db2.gz USLOCWMESZZQJQ-JQWIXIFHSA-N 1 1 342.421 1.350 20 5 EDBDMO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896568870 591530951 /nfs/dbraw/zinc/53/09/51/591530951.db2.gz BNADNJOXYYFSLQ-RISCZKNCSA-N 1 1 346.387 1.705 20 5 EDBDMO COc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])cc1OC ZINC000897621637 591590119 /nfs/dbraw/zinc/59/01/19/591590119.db2.gz LPHAJEKINPFJPQ-SUMWQHHRSA-N 1 1 335.404 1.996 20 5 EDBDMO O=[N+]([O-])c1cc(CO)c(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1F ZINC000897219255 591773597 /nfs/dbraw/zinc/77/35/97/591773597.db2.gz JXOGDRFJRJVHJA-ZIAGYGMSSA-N 1 1 339.367 1.262 20 5 EDBDMO O=C(NC1CC([NH+]2CCOCC2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000898094554 591774907 /nfs/dbraw/zinc/77/49/07/591774907.db2.gz PPFJFOHVPDZVAU-UHFFFAOYSA-N 1 1 339.779 1.841 20 5 EDBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)c2c1 ZINC000897221311 591776103 /nfs/dbraw/zinc/77/61/03/591776103.db2.gz LCXLSFTXPGPHIB-CVEARBPZSA-N 1 1 343.387 1.573 20 5 EDBDMO CC(=O)c1ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897221398 591776116 /nfs/dbraw/zinc/77/61/16/591776116.db2.gz MOHQLRNRPVPZKM-GJZGRUSLSA-N 1 1 333.388 1.833 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000903212995 592140260 /nfs/dbraw/zinc/14/02/60/592140260.db2.gz KAGQRIMLEMNEHL-ZDUSSCGKSA-N 1 1 339.417 1.680 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000907182923 592549124 /nfs/dbraw/zinc/54/91/24/592549124.db2.gz HUOVHPNKSUZEDT-UHFFFAOYSA-N 1 1 326.784 1.997 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000907182923 592549126 /nfs/dbraw/zinc/54/91/26/592549126.db2.gz HUOVHPNKSUZEDT-UHFFFAOYSA-N 1 1 326.784 1.997 20 5 EDBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@H](O)C2)C1 ZINC000911514021 592938876 /nfs/dbraw/zinc/93/88/76/592938876.db2.gz IIDGKMWLBXMHPB-JTQLQIEISA-N 1 1 343.742 1.278 20 5 EDBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@H](O)C2)C1 ZINC000911514021 592938877 /nfs/dbraw/zinc/93/88/77/592938877.db2.gz IIDGKMWLBXMHPB-JTQLQIEISA-N 1 1 343.742 1.278 20 5 EDBDMO CC(=O)NCC[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000805821547 593148054 /nfs/dbraw/zinc/14/80/54/593148054.db2.gz BDRNRPRHUCWRPF-RHSMWYFYSA-N 1 1 335.404 1.866 20 5 EDBDMO C[C@@H]1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[N@@H+]1C ZINC000840091117 593165764 /nfs/dbraw/zinc/16/57/64/593165764.db2.gz ZJRXYBNNKMFSPL-BETUJISGSA-N 1 1 330.392 1.835 20 5 EDBDMO Cc1nn(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(C)c1[N+](=O)[O-] ZINC000840107007 593187057 /nfs/dbraw/zinc/18/70/57/593187057.db2.gz FIQJPZQJMQNANG-ZDUSSCGKSA-N 1 1 337.424 1.979 20 5 EDBDMO Cc1nn(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(C)c1[N+](=O)[O-] ZINC000840107007 593187059 /nfs/dbraw/zinc/18/70/59/593187059.db2.gz FIQJPZQJMQNANG-ZDUSSCGKSA-N 1 1 337.424 1.979 20 5 EDBDMO NC(=O)C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000808228195 593243410 /nfs/dbraw/zinc/24/34/10/593243410.db2.gz GNSFQQVGALLRQS-SECBINFHSA-N 1 1 337.767 1.753 20 5 EDBDMO NC(=O)C[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000808228195 593243411 /nfs/dbraw/zinc/24/34/11/593243411.db2.gz GNSFQQVGALLRQS-SECBINFHSA-N 1 1 337.767 1.753 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000839490693 593307200 /nfs/dbraw/zinc/30/72/00/593307200.db2.gz MPNANSPYUWFZPS-CYBMUJFWSA-N 1 1 348.403 1.751 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840173454 593337155 /nfs/dbraw/zinc/33/71/55/593337155.db2.gz CWLJJFLLHSVUPO-GFCCVEGCSA-N 1 1 331.376 1.621 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000816750995 593547308 /nfs/dbraw/zinc/54/73/08/593547308.db2.gz XPDYXPXDZOTYGA-HIFRSBDPSA-N 1 1 334.376 1.112 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000817378449 593599317 /nfs/dbraw/zinc/59/93/17/593599317.db2.gz UQFAPXXPUWPUGW-GFCCVEGCSA-N 1 1 332.360 1.174 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000814910365 593606681 /nfs/dbraw/zinc/60/66/81/593606681.db2.gz UMJSMPIRPUYLEI-QGZVFWFLSA-N 1 1 332.404 1.877 20 5 EDBDMO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@@H+]1C ZINC000818620720 593708352 /nfs/dbraw/zinc/70/83/52/593708352.db2.gz AYCAQUNIFOBWHF-TXEJJXNPSA-N 1 1 331.376 1.496 20 5 EDBDMO CCc1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000819055712 593736037 /nfs/dbraw/zinc/73/60/37/593736037.db2.gz XREIUDHUJZTNBN-UHFFFAOYSA-N 1 1 338.389 1.444 20 5 EDBDMO Cc1nn(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000819896591 593774803 /nfs/dbraw/zinc/77/48/03/593774803.db2.gz IEIUOMULYMPYPQ-LBPRGKRZSA-N 1 1 342.363 1.534 20 5 EDBDMO Cc1nn(C[N@H+]2CCC[C@H](n3ccnn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000819896591 593774804 /nfs/dbraw/zinc/77/48/04/593774804.db2.gz IEIUOMULYMPYPQ-LBPRGKRZSA-N 1 1 342.363 1.534 20 5 EDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])[nH]1 ZINC000820075582 593788851 /nfs/dbraw/zinc/78/88/51/593788851.db2.gz QQCBLXLLUMPJHQ-VIKVFOODSA-N 1 1 326.356 1.783 20 5 EDBDMO C[NH+]1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000821844071 593952611 /nfs/dbraw/zinc/95/26/11/593952611.db2.gz YCSCLZCJLSANRY-UHFFFAOYSA-N 1 1 338.383 1.491 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CN(C)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821268629 594003532 /nfs/dbraw/zinc/00/35/32/594003532.db2.gz YSFAZGJOFUEOPK-JTQLQIEISA-N 1 1 332.368 1.090 20 5 EDBDMO Cc1cn2cc(Nc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)ccc2[nH+]1 ZINC000822388906 594042127 /nfs/dbraw/zinc/04/21/27/594042127.db2.gz FVZWOTUCZQTFOC-UHFFFAOYSA-N 1 1 337.303 1.870 20 5 EDBDMO CC(C)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000823297308 594181714 /nfs/dbraw/zinc/18/17/14/594181714.db2.gz BOJGIGGRBGSTKB-AWEZNQCLSA-N 1 1 328.457 1.210 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000837186504 595052908 /nfs/dbraw/zinc/05/29/08/595052908.db2.gz RNPZDQVQEJZUSJ-CQSZACIVSA-N 1 1 349.387 1.727 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843836690 595197708 /nfs/dbraw/zinc/19/77/08/595197708.db2.gz LDVNBZIIOMCYSD-GFCCVEGCSA-N 1 1 339.367 1.571 20 5 EDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000843902865 595212510 /nfs/dbraw/zinc/21/25/10/595212510.db2.gz AAJJZSNYZZMHCV-PHIMTYICSA-N 1 1 339.367 1.569 20 5 EDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000843902865 595212513 /nfs/dbraw/zinc/21/25/13/595212513.db2.gz AAJJZSNYZZMHCV-PHIMTYICSA-N 1 1 339.367 1.569 20 5 EDBDMO CNc1ccc(C(=O)OC[C@@H]2CCC[N@H+]2CCOC)cc1[N+](=O)[O-] ZINC000861032217 595870108 /nfs/dbraw/zinc/87/01/08/595870108.db2.gz KUOHAEYYFPDAMA-ZDUSSCGKSA-N 1 1 337.376 1.904 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000861034329 595871846 /nfs/dbraw/zinc/87/18/46/595871846.db2.gz PQWZXRUTQPHDBS-ZDUSSCGKSA-N 1 1 338.360 1.871 20 5 EDBDMO O=C1CCC2=C(CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000852300590 596117564 /nfs/dbraw/zinc/11/75/64/596117564.db2.gz AFPAJCOLZBFTDN-CQSZACIVSA-N 1 1 347.371 1.204 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000866596518 596264231 /nfs/dbraw/zinc/26/42/31/596264231.db2.gz GPZVVSMOUJYQCG-SNVBAGLBSA-N 1 1 343.380 1.557 20 5 EDBDMO C[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000866799140 596352763 /nfs/dbraw/zinc/35/27/63/596352763.db2.gz FXHXEAUXNSHJRW-MFKMUULPSA-N 1 1 325.340 1.112 20 5 EDBDMO C[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000866799140 596352765 /nfs/dbraw/zinc/35/27/65/596352765.db2.gz FXHXEAUXNSHJRW-MFKMUULPSA-N 1 1 325.340 1.112 20 5 EDBDMO Cc1cc(Cl)c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000863318564 596548981 /nfs/dbraw/zinc/54/89/81/596548981.db2.gz PTPSEGCCWGMYQL-SNVBAGLBSA-N 1 1 327.768 1.353 20 5 EDBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322614 596550992 /nfs/dbraw/zinc/55/09/92/596550992.db2.gz JJGMDSCFVBLRCU-WAAGHKOSSA-N 1 1 337.767 1.751 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000867814405 596566391 /nfs/dbraw/zinc/56/63/91/596566391.db2.gz PMABPCJCBMOZMK-RISCZKNCSA-N 1 1 325.390 1.310 20 5 EDBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCN(C)CC1 ZINC000866264343 596841950 /nfs/dbraw/zinc/84/19/50/596841950.db2.gz YKIZIQNRAPLIEQ-KGLIPLIRSA-N 1 1 338.427 1.890 20 5 EDBDMO CC[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000125512221 596922374 /nfs/dbraw/zinc/92/23/74/596922374.db2.gz LCVYVUQKFRZKQK-OAHLLOKOSA-N 1 1 346.431 1.975 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877743025 597552531 /nfs/dbraw/zinc/55/25/31/597552531.db2.gz SVSPZZZOGOBWOY-UKRRQHHQSA-N 1 1 333.388 1.907 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000878611401 597654880 /nfs/dbraw/zinc/65/48/80/597654880.db2.gz QQMRGEDHUXFWGJ-CYBMUJFWSA-N 1 1 339.396 1.652 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000878678122 597676132 /nfs/dbraw/zinc/67/61/32/597676132.db2.gz GEFAEVAPBFFSAZ-UHFFFAOYSA-N 1 1 334.355 1.456 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CCC[C@H]3CCNC(=O)[C@H]32)c([N+](=O)[O-])c1 ZINC000880529051 597956350 /nfs/dbraw/zinc/95/63/50/597956350.db2.gz ISXZMVIQONVIGV-LRDDRELGSA-N 1 1 349.387 1.583 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC[C@H]3CCNC(=O)[C@H]32)c([N+](=O)[O-])c1 ZINC000880529051 597956351 /nfs/dbraw/zinc/95/63/51/597956351.db2.gz ISXZMVIQONVIGV-LRDDRELGSA-N 1 1 349.387 1.583 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC000825390457 607451699 /nfs/dbraw/zinc/45/16/99/607451699.db2.gz FROLXHZEOXTRRQ-LLVKDONJSA-N 1 1 331.380 1.553 20 5 EDBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Cn2ccnc2[N+](=O)[O-])CC1 ZINC000918342939 697155301 /nfs/dbraw/zinc/15/53/01/697155301.db2.gz GZIHPQMLNFMVJT-CQSZACIVSA-N 1 1 343.387 1.697 20 5 EDBDMO CCc1cc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC001031555820 697242626 /nfs/dbraw/zinc/24/26/26/697242626.db2.gz WUQUIXQSKTWWTK-UHFFFAOYSA-N 1 1 343.387 1.742 20 5 EDBDMO Cc1c[nH]c(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001032040662 703156393 /nfs/dbraw/zinc/15/63/93/703156393.db2.gz POQDRFZCRCQASK-UHFFFAOYSA-N 1 1 329.360 1.488 20 5 EDBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357685694 709247771 /nfs/dbraw/zinc/24/77/71/709247771.db2.gz NSPIRJQBNVCUFJ-SNVBAGLBSA-N 1 1 330.348 1.206 20 5 EDBDMO O=C(C[NH+]1CCCC1)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001004147088 711558259 /nfs/dbraw/zinc/55/82/59/711558259.db2.gz CQWMXBIRZBKQJO-UHFFFAOYSA-N 1 1 346.431 1.771 20 5 EDBDMO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000557584987 306230026 /nfs/dbraw/zinc/23/00/26/306230026.db2.gz JZMALWYZSGMPEE-GOEBONIOSA-N 1 1 336.436 1.162 20 5 EDBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000052134289 214119577 /nfs/dbraw/zinc/11/95/77/214119577.db2.gz LQQFGPNRUWGGED-CQSZACIVSA-N 1 1 341.433 1.889 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])[C@H]2C1 ZINC000374900123 283078211 /nfs/dbraw/zinc/07/82/11/283078211.db2.gz UKWXPUYSIKRHMS-PWSUYJOCSA-N 1 1 343.380 1.449 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])[C@H]2C1 ZINC000374900123 283078213 /nfs/dbraw/zinc/07/82/13/283078213.db2.gz UKWXPUYSIKRHMS-PWSUYJOCSA-N 1 1 343.380 1.449 20 5 EDBDMO Cc1sc(S(=O)(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000123673674 138320602 /nfs/dbraw/zinc/32/06/02/138320602.db2.gz KODGNWRRSGLMPL-UHFFFAOYSA-N 1 1 333.435 1.681 20 5 EDBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000130594217 138342695 /nfs/dbraw/zinc/34/26/95/138342695.db2.gz ODGYQHNIHUBLQE-UONOGXRCSA-N 1 1 334.380 1.329 20 5 EDBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+]1CCOCC1 ZINC000414047723 304098443 /nfs/dbraw/zinc/09/84/43/304098443.db2.gz CUHCKQBIZDZMPY-UHFFFAOYSA-N 1 1 335.404 1.707 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000359875115 201114975 /nfs/dbraw/zinc/11/49/75/201114975.db2.gz RPXPTORAMAVDJC-OAHLLOKOSA-N 1 1 328.372 1.716 20 5 EDBDMO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000134961683 284160673 /nfs/dbraw/zinc/16/06/73/284160673.db2.gz GWJICEZRWKHSIK-CYBMUJFWSA-N 1 1 329.360 1.885 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000111269255 204347750 /nfs/dbraw/zinc/34/77/50/204347750.db2.gz FZYACDNKDWRMQG-NEPJUHHUSA-N 1 1 334.376 1.380 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000111269255 204347753 /nfs/dbraw/zinc/34/77/53/204347753.db2.gz FZYACDNKDWRMQG-NEPJUHHUSA-N 1 1 334.376 1.380 20 5 EDBDMO Cc1cccc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000112914595 204421637 /nfs/dbraw/zinc/42/16/37/204421637.db2.gz XSAVJWGDVKKPSM-MRXNPFEDSA-N 1 1 348.447 1.905 20 5 EDBDMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000110653321 220052850 /nfs/dbraw/zinc/05/28/50/220052850.db2.gz RFKNCHVOWLLITE-LBPRGKRZSA-N 1 1 343.387 1.677 20 5 EDBDMO COCC[N@@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000156334414 206071278 /nfs/dbraw/zinc/07/12/78/206071278.db2.gz YSSPZJFXTGVZPV-UHFFFAOYSA-N 1 1 335.360 1.733 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000246649969 139116463 /nfs/dbraw/zinc/11/64/63/139116463.db2.gz GKWULKWPZYOHGE-RYUDHWBXSA-N 1 1 346.387 1.603 20 5 EDBDMO C[N@H+]1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000248141007 139158749 /nfs/dbraw/zinc/15/87/49/139158749.db2.gz YNFBDPZFJRCWIV-XJKSGUPXSA-N 1 1 329.360 1.353 20 5 EDBDMO C[C@H](C[S@](C)=O)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248634833 139169291 /nfs/dbraw/zinc/16/92/91/139169291.db2.gz UTABSHMYANFDDK-ZSDNHXBWSA-N 1 1 330.406 1.033 20 5 EDBDMO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000172557176 206844662 /nfs/dbraw/zinc/84/46/62/206844662.db2.gz RCWVAUYRGGMIEW-ZDUSSCGKSA-N 1 1 336.392 1.362 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000174528451 207026995 /nfs/dbraw/zinc/02/69/95/207026995.db2.gz ZLAMXFWARFBFBH-LLVKDONJSA-N 1 1 331.376 1.885 20 5 EDBDMO CC[N@H+](C)C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000174528451 207026999 /nfs/dbraw/zinc/02/69/99/207026999.db2.gz ZLAMXFWARFBFBH-LLVKDONJSA-N 1 1 331.376 1.885 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000174528451 207027003 /nfs/dbraw/zinc/02/70/03/207027003.db2.gz ZLAMXFWARFBFBH-LLVKDONJSA-N 1 1 331.376 1.885 20 5 EDBDMO CC[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000174626871 207038082 /nfs/dbraw/zinc/03/80/82/207038082.db2.gz XPMLCSDWZFRQFH-XIHNBGGYSA-N 1 1 347.415 1.912 20 5 EDBDMO CNC(=O)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000175010036 207082935 /nfs/dbraw/zinc/08/29/35/207082935.db2.gz IAJFCTQWFYNHJD-LBPRGKRZSA-N 1 1 348.403 1.770 20 5 EDBDMO [NH3+]C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000262471239 139281281 /nfs/dbraw/zinc/28/12/81/139281281.db2.gz JFTVHASEZHINCT-NSHDSACASA-N 1 1 331.369 1.530 20 5 EDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000112364042 220314882 /nfs/dbraw/zinc/31/48/82/220314882.db2.gz ZVKRCRGRTOAVAF-UHFFFAOYSA-N 1 1 345.421 1.614 20 5 EDBDMO CC[N@@H+](CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000263756000 139358160 /nfs/dbraw/zinc/35/81/60/139358160.db2.gz QQDMINBPFFINAL-GFCCVEGCSA-N 1 1 348.403 1.314 20 5 EDBDMO COC(=O)[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000493460733 255209812 /nfs/dbraw/zinc/20/98/12/255209812.db2.gz MQMUJUQELLOBTD-PODYEWJSSA-N 1 1 347.371 1.171 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000270544582 140120950 /nfs/dbraw/zinc/12/09/50/140120950.db2.gz YJRUUDKFZYKISD-MNOVXSKESA-N 1 1 341.437 1.388 20 5 EDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1O ZINC000270941955 140203892 /nfs/dbraw/zinc/20/38/92/140203892.db2.gz RQJGZVDPEMHQHW-BXUZGUMPSA-N 1 1 337.376 1.635 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3cncc(F)c3)CC2)c1 ZINC000270977700 140212484 /nfs/dbraw/zinc/21/24/84/140212484.db2.gz WXPNXNSLUKRPLC-QGZVFWFLSA-N 1 1 346.362 1.985 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000271340568 140281343 /nfs/dbraw/zinc/28/13/43/140281343.db2.gz UAKYULFAHWRVFB-WPRPVWTQSA-N 1 1 347.400 1.955 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000271379580 140287900 /nfs/dbraw/zinc/28/79/00/140287900.db2.gz JKDUMQFGNCKAAT-LLVKDONJSA-N 1 1 333.348 1.488 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000271409430 140291977 /nfs/dbraw/zinc/29/19/77/140291977.db2.gz ODHAAYZGSYQAHD-DGCLKSJQSA-N 1 1 333.392 1.417 20 5 EDBDMO CCOC(=O)CCCNC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271680069 140332799 /nfs/dbraw/zinc/33/27/99/140332799.db2.gz CGXAODQCOFLQOJ-LBPRGKRZSA-N 1 1 337.376 1.705 20 5 EDBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331599263 141054597 /nfs/dbraw/zinc/05/45/97/141054597.db2.gz CMNZQGMYNJRAFI-UKRRQHHQSA-N 1 1 347.415 1.967 20 5 EDBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331965084 141103916 /nfs/dbraw/zinc/10/39/16/141103916.db2.gz BQNCCHCYEZQPCQ-DJIMGWMZSA-N 1 1 349.431 1.893 20 5 EDBDMO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331965084 141103917 /nfs/dbraw/zinc/10/39/17/141103917.db2.gz BQNCCHCYEZQPCQ-DJIMGWMZSA-N 1 1 349.431 1.893 20 5 EDBDMO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331965084 141103918 /nfs/dbraw/zinc/10/39/18/141103918.db2.gz BQNCCHCYEZQPCQ-DJIMGWMZSA-N 1 1 349.431 1.893 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000331999752 141108652 /nfs/dbraw/zinc/10/86/52/141108652.db2.gz VJNUOTFZSBBGKJ-FMKPAKJESA-N 1 1 349.387 1.840 20 5 EDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000332445728 141183192 /nfs/dbraw/zinc/18/31/92/141183192.db2.gz JWLBPCNEFFUUBN-RYUDHWBXSA-N 1 1 344.375 1.340 20 5 EDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000332445728 141183193 /nfs/dbraw/zinc/18/31/93/141183193.db2.gz JWLBPCNEFFUUBN-RYUDHWBXSA-N 1 1 344.375 1.340 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])c(OC)c3)[C@@H]2C1 ZINC000339393272 142035370 /nfs/dbraw/zinc/03/53/70/142035370.db2.gz NUPKRKJLAAPFPS-CVEARBPZSA-N 1 1 335.404 1.898 20 5 EDBDMO CC(C)C(=O)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000345153705 143058417 /nfs/dbraw/zinc/05/84/17/143058417.db2.gz VTSVZYQQGVPWLN-UHFFFAOYSA-N 1 1 348.403 1.724 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000346790717 143246078 /nfs/dbraw/zinc/24/60/78/143246078.db2.gz KBZJHJJSJHFVMI-JTQLQIEISA-N 1 1 326.328 1.264 20 5 EDBDMO Cn1c(C(=O)NCC[N@@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000347092190 143281690 /nfs/dbraw/zinc/28/16/90/143281690.db2.gz LLBWFKGVHFAEPY-UHFFFAOYSA-N 1 1 334.401 1.783 20 5 EDBDMO Cn1c(C(=O)NCC[N@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000347092190 143281691 /nfs/dbraw/zinc/28/16/91/143281691.db2.gz LLBWFKGVHFAEPY-UHFFFAOYSA-N 1 1 334.401 1.783 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000347983206 143387258 /nfs/dbraw/zinc/38/72/58/143387258.db2.gz ZHJUBIKBQLFOJR-CHWSQXEVSA-N 1 1 329.360 1.156 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+](C)CC2(CO)CC2)cc1[N+](=O)[O-] ZINC000355041730 150088650 /nfs/dbraw/zinc/08/86/50/150088650.db2.gz QGPGRMJSJVSNRI-UHFFFAOYSA-N 1 1 338.360 1.351 20 5 EDBDMO C[C@@H]1C[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000355636858 150345633 /nfs/dbraw/zinc/34/56/33/150345633.db2.gz RTUGEPGISMVJKX-OCCSQVGLSA-N 1 1 341.433 1.539 20 5 EDBDMO C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000357674160 151111321 /nfs/dbraw/zinc/11/13/21/151111321.db2.gz JLZOTBGMNAWYKQ-HIFRSBDPSA-N 1 1 348.403 1.599 20 5 EDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357967950 151215086 /nfs/dbraw/zinc/21/50/86/151215086.db2.gz ZZJOIDWLNJMCHO-OCCSQVGLSA-N 1 1 343.387 1.894 20 5 EDBDMO CSc1ccc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358067455 151255745 /nfs/dbraw/zinc/25/57/45/151255745.db2.gz PRQNEUFDDALACZ-CQSZACIVSA-N 1 1 325.390 1.113 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CO[C@@H](C)Cc1[nH]cc[nH+]1 ZINC000360946185 152260671 /nfs/dbraw/zinc/26/06/71/152260671.db2.gz KIWDQQDQWSZBCN-JTQLQIEISA-N 1 1 334.332 1.913 20 5 EDBDMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363593486 153008836 /nfs/dbraw/zinc/00/88/36/153008836.db2.gz YPRCHDRPVKTNAE-UONOGXRCSA-N 1 1 335.408 1.657 20 5 EDBDMO COc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000364037724 153129858 /nfs/dbraw/zinc/12/98/58/153129858.db2.gz VSKHWWRPGBOTSA-DZGCQCFKSA-N 1 1 349.387 1.275 20 5 EDBDMO Cc1cc(C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)cc([N+](=O)[O-])c1 ZINC000364158472 153159596 /nfs/dbraw/zinc/15/95/96/153159596.db2.gz CVBSJANHDHEKDM-UHFFFAOYSA-N 1 1 335.404 1.822 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCc2ncccc2C1 ZINC000367830593 154289737 /nfs/dbraw/zinc/28/97/37/154289737.db2.gz HRWFXKFPHPVLAP-CQSZACIVSA-N 1 1 329.356 1.788 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2ncccc2C1 ZINC000367830593 154289739 /nfs/dbraw/zinc/28/97/39/154289739.db2.gz HRWFXKFPHPVLAP-CQSZACIVSA-N 1 1 329.356 1.788 20 5 EDBDMO Cn1cc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000367839503 154293151 /nfs/dbraw/zinc/29/31/51/154293151.db2.gz MECWCVILHHYYKC-ZSHCYNCHSA-N 1 1 328.372 1.665 20 5 EDBDMO NC(=O)C1([NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC000370870130 155683085 /nfs/dbraw/zinc/68/30/85/155683085.db2.gz LJMRZFDFRNSDGO-UHFFFAOYSA-N 1 1 332.404 1.511 20 5 EDBDMO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000371584930 156016478 /nfs/dbraw/zinc/01/64/78/156016478.db2.gz CYZVWYHGLOTTDT-GDBMZVCRSA-N 1 1 335.379 1.819 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000374067694 157130226 /nfs/dbraw/zinc/13/02/26/157130226.db2.gz HTYWMECKJXIJSJ-XPKDYRNWSA-N 1 1 349.387 1.395 20 5 EDBDMO CN1CCN([C@@H]2CCCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000374160635 157171641 /nfs/dbraw/zinc/17/16/41/157171641.db2.gz UAFFVMQXDVOXKW-CYBMUJFWSA-N 1 1 336.392 1.430 20 5 EDBDMO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000374160635 157171646 /nfs/dbraw/zinc/17/16/46/157171646.db2.gz UAFFVMQXDVOXKW-CYBMUJFWSA-N 1 1 336.392 1.430 20 5 EDBDMO C[N@H+]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000374314259 157239176 /nfs/dbraw/zinc/23/91/76/157239176.db2.gz CGBAUNSZYDLQMD-HUUCEWRRSA-N 1 1 329.360 1.005 20 5 EDBDMO CCc1ccc([C@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000374320225 157242940 /nfs/dbraw/zinc/24/29/40/157242940.db2.gz GVPFQUYDQMETGH-CYBMUJFWSA-N 1 1 329.360 1.667 20 5 EDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000374684895 157366678 /nfs/dbraw/zinc/36/66/78/157366678.db2.gz BLQPFXPKAPBDNY-QGZVFWFLSA-N 1 1 347.415 1.849 20 5 EDBDMO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000377882965 158019945 /nfs/dbraw/zinc/01/99/45/158019945.db2.gz HKWREMYFQJNXFM-SNVBAGLBSA-N 1 1 333.435 1.761 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000377882965 158019947 /nfs/dbraw/zinc/01/99/47/158019947.db2.gz HKWREMYFQJNXFM-SNVBAGLBSA-N 1 1 333.435 1.761 20 5 EDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000378538932 158203636 /nfs/dbraw/zinc/20/36/36/158203636.db2.gz HVPZGDCCBHQKPJ-OUCADQQQSA-N 1 1 330.388 1.733 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000362018591 162306712 /nfs/dbraw/zinc/30/67/12/162306712.db2.gz BWAHVVWHFJGDJT-OCCSQVGLSA-N 1 1 339.417 1.618 20 5 EDBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1([NH+]2CCOCC2)CCCC1 ZINC000173182795 287000627 /nfs/dbraw/zinc/00/06/27/287000627.db2.gz VZKYASZLTPNWHW-GFCCVEGCSA-N 1 1 337.376 1.951 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCN3CCOCC3)C2)nc1 ZINC000072665177 287255391 /nfs/dbraw/zinc/25/53/91/287255391.db2.gz CDQCMIZFMUFPAY-AWEZNQCLSA-N 1 1 335.408 1.198 20 5 EDBDMO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cnn(C)c1 ZINC000273275363 268012759 /nfs/dbraw/zinc/01/27/59/268012759.db2.gz IAXMENWSVWNSSP-SECBINFHSA-N 1 1 347.331 1.346 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000276301136 268415960 /nfs/dbraw/zinc/41/59/60/268415960.db2.gz OAKFQASVGITQPY-NSHDSACASA-N 1 1 330.344 1.792 20 5 EDBDMO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000277579126 273207873 /nfs/dbraw/zinc/20/78/73/273207873.db2.gz MBMYTBLLWNFWBR-LBPRGKRZSA-N 1 1 337.376 1.396 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000277579126 273207874 /nfs/dbraw/zinc/20/78/74/273207874.db2.gz MBMYTBLLWNFWBR-LBPRGKRZSA-N 1 1 337.376 1.396 20 5 EDBDMO C[C@]1(C(N)=O)CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000280662245 273382752 /nfs/dbraw/zinc/38/27/52/273382752.db2.gz FGQYZKNBHLWUMQ-AWEZNQCLSA-N 1 1 340.767 1.384 20 5 EDBDMO C[C@]1(C(N)=O)CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000280662245 273382753 /nfs/dbraw/zinc/38/27/53/273382753.db2.gz FGQYZKNBHLWUMQ-AWEZNQCLSA-N 1 1 340.767 1.384 20 5 EDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000450441905 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PZIRDBAWHOAFOG-RDJZCZTQSA-N 1 1 331.372 1.813 20 5 EDBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3cncn3)CC2)c([N+](=O)[O-])c1 ZINC000193815857 275035438 /nfs/dbraw/zinc/03/54/38/275035438.db2.gz MQEZTVRLTZEESK-UHFFFAOYSA-N 1 1 332.320 1.932 20 5 EDBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000193464683 276053014 /nfs/dbraw/zinc/05/30/14/276053014.db2.gz YOHBSCXMBMZORV-QGZVFWFLSA-N 1 1 346.387 1.892 20 5 EDBDMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000193464683 276053015 /nfs/dbraw/zinc/05/30/15/276053015.db2.gz YOHBSCXMBMZORV-QGZVFWFLSA-N 1 1 346.387 1.892 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272566219 277143591 /nfs/dbraw/zinc/14/35/91/277143591.db2.gz FINFSJNNEFFXDI-YGRLFVJLSA-N 1 1 334.332 1.669 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000349964674 277289698 /nfs/dbraw/zinc/28/96/98/277289698.db2.gz KEMUUZWSQXPVFB-AWEZNQCLSA-N 1 1 327.406 1.417 20 5 EDBDMO 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BLHPSSJVIXUARV-DOMZBBRYSA-N 1 1 348.403 1.123 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)NC(C)(C)C ZINC000026262631 441373212 /nfs/dbraw/zinc/37/32/12/441373212.db2.gz HOODOBUFINCQHM-UHFFFAOYSA-N 1 1 336.392 1.770 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000075748429 441553450 /nfs/dbraw/zinc/55/34/50/441553450.db2.gz AOPLGCYGTVUXEU-HOTGVXAUSA-N 1 1 348.428 1.942 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000089926342 441596666 /nfs/dbraw/zinc/59/66/66/441596666.db2.gz OEOHYTSQKXRYFL-UHFFFAOYSA-N 1 1 342.359 1.792 20 5 EDBDMO CN1C(=O)NC2(CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)C1=O ZINC000090005092 441612891 /nfs/dbraw/zinc/61/28/91/441612891.db2.gz ISUKJZNWRIWTAH-UHFFFAOYSA-N 1 1 336.323 1.250 20 5 EDBDMO COc1ccc(CC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000067906962 441695400 /nfs/dbraw/zinc/69/54/00/441695400.db2.gz QXUKGZQIGZFQCU-UONOGXRCSA-N 1 1 333.388 1.889 20 5 EDBDMO CC(C)[N@@H+](C)CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000042104895 441704776 /nfs/dbraw/zinc/70/47/76/441704776.db2.gz ZCNHPXGRAYUYPF-UHFFFAOYSA-N 1 1 330.410 1.384 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H](O)CSc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000159182175 441793412 /nfs/dbraw/zinc/79/34/12/441793412.db2.gz CQGVPFIQHLAKKR-LOWVWBTDSA-N 1 1 327.406 1.552 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@H](O)CSc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000159182175 441793415 /nfs/dbraw/zinc/79/34/15/441793415.db2.gz CQGVPFIQHLAKKR-LOWVWBTDSA-N 1 1 327.406 1.552 20 5 EDBDMO CNC(=O)c1ccc(NC[C@H]2CCC[N@H+]2CCOC)c([N+](=O)[O-])c1 ZINC000068910804 441867326 /nfs/dbraw/zinc/86/73/26/441867326.db2.gz ZHHIHFQBGKGDCP-CYBMUJFWSA-N 1 1 336.392 1.477 20 5 EDBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000092843436 441832546 /nfs/dbraw/zinc/83/25/46/441832546.db2.gz JYUJYWWRCXXYRN-AWEZNQCLSA-N 1 1 327.406 1.151 20 5 EDBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)sc2C1 ZINC000124241966 441912267 /nfs/dbraw/zinc/91/22/67/441912267.db2.gz MHGCQIJEGBLYMF-UHFFFAOYSA-N 1 1 349.372 1.782 20 5 EDBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)sc2C1 ZINC000124241966 441912272 /nfs/dbraw/zinc/91/22/72/441912272.db2.gz MHGCQIJEGBLYMF-UHFFFAOYSA-N 1 1 349.372 1.782 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+](CCO)CCCO)cs2)c1 ZINC000093323782 441878031 /nfs/dbraw/zinc/87/80/31/441878031.db2.gz GINFMHSCIKZIAO-UHFFFAOYSA-N 1 1 337.401 1.895 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+](CCO)CCCO)cs2)c1 ZINC000093323782 441878035 /nfs/dbraw/zinc/87/80/35/441878035.db2.gz GINFMHSCIKZIAO-UHFFFAOYSA-N 1 1 337.401 1.895 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000069129485 441896038 /nfs/dbraw/zinc/89/60/38/441896038.db2.gz BKGKLUVFICTIRG-SNVBAGLBSA-N 1 1 327.406 1.664 20 5 EDBDMO Cc1cc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000174169639 441898394 /nfs/dbraw/zinc/89/83/94/441898394.db2.gz VGSYDXLTLPXZDX-AWEZNQCLSA-N 1 1 333.388 1.698 20 5 EDBDMO CNC(=O)c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000078404208 441929917 /nfs/dbraw/zinc/92/99/17/441929917.db2.gz SQLSUXAHGDYQHX-ZDUSSCGKSA-N 1 1 348.403 1.113 20 5 EDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150814020 441955985 /nfs/dbraw/zinc/95/59/85/441955985.db2.gz ZZCCQYTYNOBQTG-UHFFFAOYSA-N 1 1 345.421 1.614 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000174737856 441962739 /nfs/dbraw/zinc/96/27/39/441962739.db2.gz PRQILLNAOXSXJD-RDJZCZTQSA-N 1 1 348.378 1.998 20 5 EDBDMO C[NH+]1CCN(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000126119563 442080550 /nfs/dbraw/zinc/08/05/50/442080550.db2.gz PODKNGCCJXULBU-UHFFFAOYSA-N 1 1 332.404 1.333 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000176845903 442262997 /nfs/dbraw/zinc/26/29/97/442262997.db2.gz CCDMMSQUAMRWPO-VXGBXAGGSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000176845903 442262998 /nfs/dbraw/zinc/26/29/98/442262998.db2.gz CCDMMSQUAMRWPO-VXGBXAGGSA-N 1 1 339.417 1.807 20 5 EDBDMO CNC(=O)CC[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000170791838 442265161 /nfs/dbraw/zinc/26/51/61/442265161.db2.gz XAJHQQVVGILXMG-UHFFFAOYSA-N 1 1 328.756 1.255 20 5 EDBDMO CNC(=O)CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000170791838 442265163 /nfs/dbraw/zinc/26/51/63/442265163.db2.gz XAJHQQVVGILXMG-UHFFFAOYSA-N 1 1 328.756 1.255 20 5 EDBDMO COc1cc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177066006 442293074 /nfs/dbraw/zinc/29/30/74/442293074.db2.gz AKYBXDAUSVHFIY-MNOVXSKESA-N 1 1 349.387 1.967 20 5 EDBDMO COC(=O)[C@H](C)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000153737452 442299191 /nfs/dbraw/zinc/29/91/91/442299191.db2.gz ASTBQVLKJCCKLM-GFCCVEGCSA-N 1 1 349.387 1.831 20 5 EDBDMO COC(=O)[C@H](C)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000153737452 442299193 /nfs/dbraw/zinc/29/91/93/442299193.db2.gz ASTBQVLKJCCKLM-GFCCVEGCSA-N 1 1 349.387 1.831 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000154117191 442321840 /nfs/dbraw/zinc/32/18/40/442321840.db2.gz PRVSYSMKZFPSHO-HNNXBMFYSA-N 1 1 349.387 1.794 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000154117191 442321843 /nfs/dbraw/zinc/32/18/43/442321843.db2.gz PRVSYSMKZFPSHO-HNNXBMFYSA-N 1 1 349.387 1.794 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000177476944 442346768 /nfs/dbraw/zinc/34/67/68/442346768.db2.gz UMKHCHSEBOEJMW-MRXNPFEDSA-N 1 1 335.360 1.727 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000177476944 442346770 /nfs/dbraw/zinc/34/67/70/442346770.db2.gz UMKHCHSEBOEJMW-MRXNPFEDSA-N 1 1 335.360 1.727 20 5 EDBDMO CCC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000155070954 442373913 /nfs/dbraw/zinc/37/39/13/442373913.db2.gz QIZIVGPVOCJGBI-UHFFFAOYSA-N 1 1 348.403 1.786 20 5 EDBDMO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nnnn1-c1ccccc1 ZINC000131002047 442362006 /nfs/dbraw/zinc/36/20/06/442362006.db2.gz OSMMQKFKCFGXIG-LLVKDONJSA-N 1 1 328.336 1.118 20 5 EDBDMO O=C(CC[N@@H+]1CCC[C@@H](OCCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000172301331 442439161 /nfs/dbraw/zinc/43/91/61/442439161.db2.gz RXPRUPRTUFOEOR-CYBMUJFWSA-N 1 1 337.376 1.397 20 5 EDBDMO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000134353718 442472857 /nfs/dbraw/zinc/47/28/57/442472857.db2.gz SYFHCHNDGQUUPF-HNNXBMFYSA-N 1 1 341.433 1.539 20 5 EDBDMO C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[N@H+](C)CCO1 ZINC000134980437 442543894 /nfs/dbraw/zinc/54/38/94/442543894.db2.gz UCMSUKPWGPOFDW-BONVTDFDSA-N 1 1 332.360 1.525 20 5 EDBDMO C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000134980437 442543903 /nfs/dbraw/zinc/54/39/03/442543903.db2.gz UCMSUKPWGPOFDW-BONVTDFDSA-N 1 1 332.360 1.525 20 5 EDBDMO CCc1nn(C)cc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000180344771 442584152 /nfs/dbraw/zinc/58/41/52/442584152.db2.gz OMDGZIJTKFMXSC-ZDUSSCGKSA-N 1 1 330.392 1.972 20 5 EDBDMO COC(=O)c1cc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000186729862 442603068 /nfs/dbraw/zinc/60/30/68/442603068.db2.gz SXEVYZCPOVCYEV-UHFFFAOYSA-N 1 1 335.360 1.548 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173262889 442635243 /nfs/dbraw/zinc/63/52/43/442635243.db2.gz XTFOYJPXKBCGOP-CQSZACIVSA-N 1 1 348.403 1.137 20 5 EDBDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000173272498 442638890 /nfs/dbraw/zinc/63/88/90/442638890.db2.gz KLBYEHJKEMFTNV-IUODEOHRSA-N 1 1 341.433 1.839 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000192662225 442674202 /nfs/dbraw/zinc/67/42/02/442674202.db2.gz DEWJAZPKBZZWEM-NSHDSACASA-N 1 1 343.405 1.366 20 5 EDBDMO COc1c(F)cc(S(=O)(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000188148749 442716928 /nfs/dbraw/zinc/71/69/28/442716928.db2.gz GOMRHDBJLILYNO-UHFFFAOYSA-N 1 1 349.384 1.361 20 5 EDBDMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193246778 442725932 /nfs/dbraw/zinc/72/59/32/442725932.db2.gz HUZMFQJRUHKCHF-JTQLQIEISA-N 1 1 336.373 1.125 20 5 EDBDMO CCCC[N@@H+](CCCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000182146526 442739796 /nfs/dbraw/zinc/73/97/96/442739796.db2.gz GBMHFPNQQZJUHW-UHFFFAOYSA-N 1 1 335.404 1.968 20 5 EDBDMO C[N@@H+](CCc1ccccn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182168917 442741689 /nfs/dbraw/zinc/74/16/89/442741689.db2.gz UAKNHNNETPBZIE-OAHLLOKOSA-N 1 1 331.372 1.904 20 5 EDBDMO CS(=O)(=O)C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000181768690 442715247 /nfs/dbraw/zinc/71/52/47/442715247.db2.gz OIQDKFHOUPWDHT-CYBMUJFWSA-N 1 1 338.389 1.167 20 5 EDBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193739686 442777017 /nfs/dbraw/zinc/77/70/17/442777017.db2.gz YLVIFPVZINUXQP-UHFFFAOYSA-N 1 1 345.359 1.524 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000246745398 442810013 /nfs/dbraw/zinc/81/00/13/442810013.db2.gz NLDWYBIHPCNBFX-AGKLADILSA-N 1 1 333.388 1.522 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000183266654 442914425 /nfs/dbraw/zinc/91/44/25/442914425.db2.gz FFDYWIMGEOGBLJ-ZDUSSCGKSA-N 1 1 327.406 1.417 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000183266654 442914428 /nfs/dbraw/zinc/91/44/28/442914428.db2.gz FFDYWIMGEOGBLJ-ZDUSSCGKSA-N 1 1 327.406 1.417 20 5 EDBDMO Cc1sc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000265806755 442928591 /nfs/dbraw/zinc/92/85/91/442928591.db2.gz YLGZIOVJZGCIBW-UHFFFAOYSA-N 1 1 335.389 1.661 20 5 EDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000189356611 442928756 /nfs/dbraw/zinc/92/87/56/442928756.db2.gz NFZKJMJTJWERNK-UHFFFAOYSA-N 1 1 339.417 1.769 20 5 EDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000189356611 442928759 /nfs/dbraw/zinc/92/87/59/442928759.db2.gz NFZKJMJTJWERNK-UHFFFAOYSA-N 1 1 339.417 1.769 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189366601 442930485 /nfs/dbraw/zinc/93/04/85/442930485.db2.gz ANMTURFXXINVRD-UHFFFAOYSA-N 1 1 335.404 1.972 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CCCOCC1 ZINC000189366601 442930487 /nfs/dbraw/zinc/93/04/87/442930487.db2.gz ANMTURFXXINVRD-UHFFFAOYSA-N 1 1 335.404 1.972 20 5 EDBDMO COCCO[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000189727883 442998378 /nfs/dbraw/zinc/99/83/78/442998378.db2.gz FQHJKOPGWNAUBU-ZDUSSCGKSA-N 1 1 337.376 1.661 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000265943427 442978974 /nfs/dbraw/zinc/97/89/74/442978974.db2.gz IPSALKUPOFBJKW-SMDDNHRTSA-N 1 1 339.367 1.911 20 5 EDBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000265990679 442995910 /nfs/dbraw/zinc/99/59/10/442995910.db2.gz MBRIKGLAKGEBCS-NWDGAFQWSA-N 1 1 349.387 1.921 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1(O)CCOCC1 ZINC000189784293 443009763 /nfs/dbraw/zinc/00/97/63/443009763.db2.gz DKPLUJJDPMPOLI-LBPRGKRZSA-N 1 1 337.376 1.395 20 5 EDBDMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000184509236 443031981 /nfs/dbraw/zinc/03/19/81/443031981.db2.gz IDZIGLODLPDILT-ZDUSSCGKSA-N 1 1 348.403 1.751 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185232634 443166328 /nfs/dbraw/zinc/16/63/28/443166328.db2.gz RWNCUTDDTRXASR-UHFFFAOYSA-N 1 1 347.824 1.963 20 5 EDBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CCC(=O)OC ZINC000266517569 443153856 /nfs/dbraw/zinc/15/38/56/443153856.db2.gz HFBMAOFXNSPCPW-UHFFFAOYSA-N 1 1 326.349 1.867 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000266538146 443161401 /nfs/dbraw/zinc/16/14/01/443161401.db2.gz OXVJACBGBGBUQT-WBVHZDCISA-N 1 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/nfs/dbraw/zinc/85/33/26/444853326.db2.gz GRSIBPMINANTGQ-QWHCGFSZSA-N 1 1 335.408 1.789 20 5 EDBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342955844 444965156 /nfs/dbraw/zinc/96/51/56/444965156.db2.gz LNBSRCQMUZVEPJ-AWEZNQCLSA-N 1 1 339.367 1.701 20 5 EDBDMO COc1ncc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000337184580 444976745 /nfs/dbraw/zinc/97/67/45/444976745.db2.gz OKZFWLQMBHMGQM-ZDUSSCGKSA-N 1 1 344.375 1.783 20 5 EDBDMO COc1ncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000337184580 444976752 /nfs/dbraw/zinc/97/67/52/444976752.db2.gz OKZFWLQMBHMGQM-ZDUSSCGKSA-N 1 1 344.375 1.783 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000341751559 444985683 /nfs/dbraw/zinc/98/56/83/444985683.db2.gz SATMADJIPKYEFE-WCQYABFASA-N 1 1 349.309 1.534 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000341751559 444985686 /nfs/dbraw/zinc/98/56/86/444985686.db2.gz SATMADJIPKYEFE-WCQYABFASA-N 1 1 349.309 1.534 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000344502664 445017497 /nfs/dbraw/zinc/01/74/97/445017497.db2.gz VPUYPXHGKGYORC-UONOGXRCSA-N 1 1 325.340 1.525 20 5 EDBDMO CC(=O)N[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000339183605 445078038 /nfs/dbraw/zinc/07/80/38/445078038.db2.gz CSXGFJOJQMLNKE-AWEZNQCLSA-N 1 1 348.403 1.832 20 5 EDBDMO COCCN1C(=O)N[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CC[C@@H]21 ZINC000344597200 445080391 /nfs/dbraw/zinc/08/03/91/445080391.db2.gz XQSRAOJXZMCALK-CVEARBPZSA-N 1 1 348.403 1.518 20 5 EDBDMO C[C@H]1[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCC[N@H+]1C ZINC000343448040 445224724 /nfs/dbraw/zinc/22/47/24/445224724.db2.gz PQSSQPXPYZMXFH-STQMWFEESA-N 1 1 343.387 1.993 20 5 EDBDMO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000343452598 445225498 /nfs/dbraw/zinc/22/54/98/445225498.db2.gz FKZDHJOMGSFWFS-AOOOYVTPSA-N 1 1 338.339 1.223 20 5 EDBDMO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000343452598 445225500 /nfs/dbraw/zinc/22/55/00/445225500.db2.gz FKZDHJOMGSFWFS-AOOOYVTPSA-N 1 1 338.339 1.223 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000357063635 445403729 /nfs/dbraw/zinc/40/37/29/445403729.db2.gz GGVDKWPVZJHHRD-RYUDHWBXSA-N 1 1 336.392 1.566 20 5 EDBDMO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000359793026 445431524 /nfs/dbraw/zinc/43/15/24/445431524.db2.gz BHZXWZSEMVBMET-CQSZACIVSA-N 1 1 347.350 1.753 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CCC3CC3)CC2)cc1 ZINC000359831855 445450600 /nfs/dbraw/zinc/45/06/00/445450600.db2.gz NAUQPCVBQRVXBF-UHFFFAOYSA-N 1 1 339.417 1.701 20 5 EDBDMO Cn1nccc1[C@@H]1[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@H+]1C ZINC000348948858 445451298 /nfs/dbraw/zinc/45/12/98/445451298.db2.gz JPLHLEGAVPQIPA-NHYWBVRUSA-N 1 1 346.391 1.469 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000360227742 445641755 /nfs/dbraw/zinc/64/17/55/445641755.db2.gz NAAQKPJVNGPDFG-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000360227742 445641759 /nfs/dbraw/zinc/64/17/59/445641759.db2.gz NAAQKPJVNGPDFG-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO Cn1ccnc1[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000353520700 445639686 /nfs/dbraw/zinc/63/96/86/445639686.db2.gz OVLAHSQXYJINPE-ZBFHGGJFSA-N 1 1 348.428 1.875 20 5 EDBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000356283375 445716706 /nfs/dbraw/zinc/71/67/06/445716706.db2.gz RMBJPVMBKHNJIN-UHFFFAOYSA-N 1 1 330.348 1.554 20 5 EDBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000358835450 445800494 /nfs/dbraw/zinc/80/04/94/445800494.db2.gz POODGAWKFHYICR-OAHLLOKOSA-N 1 1 344.371 1.420 20 5 EDBDMO CC(C)(C(N)=O)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353927896 445816079 /nfs/dbraw/zinc/81/60/79/445816079.db2.gz WWGDIMBREXRDRZ-ALCCZGGFSA-N 1 1 332.404 1.490 20 5 EDBDMO CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000212553085 325715106 /nfs/dbraw/zinc/71/51/06/325715106.db2.gz DUZAWGGLFYRZHB-UHFFFAOYSA-N 1 1 333.797 1.621 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000354017726 445858042 /nfs/dbraw/zinc/85/80/42/445858042.db2.gz BWKIXCLILHYPLE-OLZOCXBDSA-N 1 1 348.403 1.266 20 5 EDBDMO COC(=O)[C@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000361641552 445862054 /nfs/dbraw/zinc/86/20/54/445862054.db2.gz CJFXSPAEULJBMV-JTQLQIEISA-N 1 1 337.332 1.386 20 5 EDBDMO COC(=O)[C@H](C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000361641552 445862057 /nfs/dbraw/zinc/86/20/57/445862057.db2.gz CJFXSPAEULJBMV-JTQLQIEISA-N 1 1 337.332 1.386 20 5 EDBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000354091371 445896896 /nfs/dbraw/zinc/89/68/96/445896896.db2.gz KYZAOYSNVCQFIQ-NSHDSACASA-N 1 1 342.421 1.033 20 5 EDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CCc4[nH+]ccn4C3)n2)n1C ZINC000350935254 445953434 /nfs/dbraw/zinc/95/34/34/445953434.db2.gz WIWWDITXWYMXFZ-SECBINFHSA-N 1 1 329.320 1.613 20 5 EDBDMO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Cl)c1 ZINC000361832334 445988341 /nfs/dbraw/zinc/98/83/41/445988341.db2.gz XNMWGHAUJSDFGB-STQMWFEESA-N 1 1 326.784 1.679 20 5 EDBDMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000351181660 446005693 /nfs/dbraw/zinc/00/56/93/446005693.db2.gz IZTFWQUMOOASCG-UHFFFAOYSA-N 1 1 338.339 1.227 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000361930767 446080215 /nfs/dbraw/zinc/08/02/15/446080215.db2.gz XEBFNLHOPLMVQU-NVXWUHKLSA-N 1 1 348.447 1.432 20 5 EDBDMO O=C(CC[N@H+]1C[C@H](F)C[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000370447689 446283390 /nfs/dbraw/zinc/28/33/90/446283390.db2.gz PPPBVWWSDMOCTL-KOLCDFICSA-N 1 1 329.303 1.467 20 5 EDBDMO O=C(CC[N@@H+]1C[C@H](F)C[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000370447689 446283394 /nfs/dbraw/zinc/28/33/94/446283394.db2.gz PPPBVWWSDMOCTL-KOLCDFICSA-N 1 1 329.303 1.467 20 5 EDBDMO CCc1noc([C@]2(O)CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366843630 446379587 /nfs/dbraw/zinc/37/95/87/446379587.db2.gz LVKPOCOAAAIAFC-INIZCTEOSA-N 1 1 332.360 1.676 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452780642 446468644 /nfs/dbraw/zinc/46/86/44/446468644.db2.gz HMZZFVCZHDGIOR-LLVKDONJSA-N 1 1 341.795 1.825 20 5 EDBDMO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420339019 446510357 /nfs/dbraw/zinc/51/03/57/446510357.db2.gz LLVJOQGMQDQNGY-KGLIPLIRSA-N 1 1 332.404 1.855 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000411578322 446615366 /nfs/dbraw/zinc/61/53/66/446615366.db2.gz AKALCOZSBMMRCU-DOMZBBRYSA-N 1 1 346.387 1.313 20 5 EDBDMO O=c1[nH]c(N[C@H]2CCc3[nH+]ccn3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000367718761 446579313 /nfs/dbraw/zinc/57/93/13/446579313.db2.gz ZSWUNQJDSLUZCG-VIFPVBQESA-N 1 1 326.316 1.867 20 5 EDBDMO O=C1NC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]12 ZINC000368213557 446713964 /nfs/dbraw/zinc/71/39/64/446713964.db2.gz BGFNULHIXFOIOO-JQWIXIFHSA-N 1 1 341.314 1.764 20 5 EDBDMO O=C1NC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]12 ZINC000368213557 446713967 /nfs/dbraw/zinc/71/39/67/446713967.db2.gz BGFNULHIXFOIOO-JQWIXIFHSA-N 1 1 341.314 1.764 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619251946 450434540 /nfs/dbraw/zinc/43/45/40/450434540.db2.gz CBULMGAEKBUGMP-GJZGRUSLSA-N 1 1 337.351 1.618 20 5 EDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423966889 446800937 /nfs/dbraw/zinc/80/09/37/446800937.db2.gz IZXLUPHFJPDPFW-MRXNPFEDSA-N 1 1 342.355 1.542 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000420774148 446811557 /nfs/dbraw/zinc/81/15/57/446811557.db2.gz YCEBWSDCLMXLDI-LBPRGKRZSA-N 1 1 327.406 1.618 20 5 EDBDMO COC(=O)[C@]1(C)CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000412067080 446829584 /nfs/dbraw/zinc/82/95/84/446829584.db2.gz LUPBQEQNOQQWLA-QGZVFWFLSA-N 1 1 349.387 1.833 20 5 EDBDMO COC(=O)[C@]1(C)CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000412067080 446829585 /nfs/dbraw/zinc/82/95/85/446829585.db2.gz LUPBQEQNOQQWLA-QGZVFWFLSA-N 1 1 349.387 1.833 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000419007113 446862356 /nfs/dbraw/zinc/86/23/56/446862356.db2.gz TUSTXYBXTCVVKC-UWVGGRQHSA-N 1 1 337.405 1.491 20 5 EDBDMO CCc1nn(C)c(N2CCC[N@@H+](CCCOC)CC2)c1[N+](=O)[O-] ZINC000371466136 446873426 /nfs/dbraw/zinc/87/34/26/446873426.db2.gz LPZRACOOOKEUHT-UHFFFAOYSA-N 1 1 325.413 1.439 20 5 EDBDMO Cc1nn(CCC(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000368658575 447012084 /nfs/dbraw/zinc/01/20/84/447012084.db2.gz MDXXJNUBZPAKMF-IUODEOHRSA-N 1 1 349.435 1.883 20 5 EDBDMO C[N@@H+](CCO)C1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413123934 447017233 /nfs/dbraw/zinc/01/72/33/447017233.db2.gz BKLUEXNMYGXWFI-UHFFFAOYSA-N 1 1 348.325 1.902 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000421007438 446980444 /nfs/dbraw/zinc/98/04/44/446980444.db2.gz HLPOESVCTTUYAN-WCQYABFASA-N 1 1 337.376 1.777 20 5 EDBDMO NC(=O)[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000375701757 446986183 /nfs/dbraw/zinc/98/61/83/446986183.db2.gz DUNLGALTIFCQLV-LBPRGKRZSA-N 1 1 333.266 1.036 20 5 EDBDMO NC(=O)[C@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000375701757 446986186 /nfs/dbraw/zinc/98/61/86/446986186.db2.gz DUNLGALTIFCQLV-LBPRGKRZSA-N 1 1 333.266 1.036 20 5 EDBDMO C[NH+]1CCN(CCCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413028738 446986496 /nfs/dbraw/zinc/98/64/96/446986496.db2.gz DUBCBLUZIBFFQK-UHFFFAOYSA-N 1 1 329.404 2.192 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000419345325 447111894 /nfs/dbraw/zinc/11/18/94/447111894.db2.gz TXKJWZNFRNFFIX-WDEREUQCSA-N 1 1 329.347 1.760 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000421372716 447144163 /nfs/dbraw/zinc/14/41/63/447144163.db2.gz LPEXWATZBAELBQ-DGCLKSJQSA-N 1 1 338.360 1.492 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000421372715 447144365 /nfs/dbraw/zinc/14/43/65/447144365.db2.gz LPEXWATZBAELBQ-AAEUAGOBSA-N 1 1 338.360 1.492 20 5 EDBDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)nn1 ZINC000368851579 447158714 /nfs/dbraw/zinc/15/87/14/447158714.db2.gz AFRAJMCUCUOSHD-ZDUSSCGKSA-N 1 1 345.359 1.728 20 5 EDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000421713906 447230157 /nfs/dbraw/zinc/23/01/57/447230157.db2.gz UGBGUQVEMGTSBA-ZDUSSCGKSA-N 1 1 349.387 1.461 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000377607388 447240336 /nfs/dbraw/zinc/24/03/36/447240336.db2.gz PAKFPHNWDMJSDK-NEPJUHHUSA-N 1 1 334.376 1.428 20 5 EDBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455842798 447240524 /nfs/dbraw/zinc/24/05/24/447240524.db2.gz JZBWQCFDKZLIPR-NWDGAFQWSA-N 1 1 333.392 1.730 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)c(C)cc1[N+](=O)[O-] ZINC000416383243 447587399 /nfs/dbraw/zinc/58/73/99/447587399.db2.gz DPLMJDATHUGLMV-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c(C)cc1[N+](=O)[O-] ZINC000416384099 447588006 /nfs/dbraw/zinc/58/80/06/447588006.db2.gz IIZBVIAPGRIKIN-GFCCVEGCSA-N 1 1 341.433 1.973 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459648024 447731524 /nfs/dbraw/zinc/73/15/24/447731524.db2.gz BPDTXTPUVWMFOU-YCPHGPKFSA-N 1 1 348.399 1.835 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000459686915 447739586 /nfs/dbraw/zinc/73/95/86/447739586.db2.gz VPJKNCKUJDFQOE-ZFWWWQNUSA-N 1 1 331.372 1.695 20 5 EDBDMO 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CC1(CO)CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000186963300 527998573 /nfs/dbraw/zinc/99/85/73/527998573.db2.gz ZIULSNNJORFFLP-UHFFFAOYSA-N 1 1 333.388 1.578 20 5 EDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000270794176 535813236 /nfs/dbraw/zinc/81/32/36/535813236.db2.gz MNXGXIJNXWCEDA-GFCCVEGCSA-N 1 1 341.795 1.777 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000252656856 536469987 /nfs/dbraw/zinc/46/99/87/536469987.db2.gz WGQNLPPAECIXTI-DZGCQCFKSA-N 1 1 332.404 1.949 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000741579884 579421194 /nfs/dbraw/zinc/42/11/94/579421194.db2.gz QZUZAEOAKWDHIC-IUODEOHRSA-N 1 1 345.403 1.743 20 5 EDBDMO COC(=O)[C@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728897762 578553972 /nfs/dbraw/zinc/55/39/72/578553972.db2.gz CALDSJMHIQHEPE-ZDUSSCGKSA-N 1 1 330.344 1.911 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728897762 578553973 /nfs/dbraw/zinc/55/39/73/578553973.db2.gz CALDSJMHIQHEPE-ZDUSSCGKSA-N 1 1 330.344 1.911 20 5 EDBDMO O=Cc1ccc(OCC(=O)N[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000731619277 578677202 /nfs/dbraw/zinc/67/72/02/578677202.db2.gz VAKHORDCPMUHHN-LBPRGKRZSA-N 1 1 333.344 1.139 20 5 EDBDMO C[NH+]1CCN(C(=O)CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000732568259 578718760 /nfs/dbraw/zinc/71/87/60/578718760.db2.gz MONPWEUNLRRHEF-UHFFFAOYSA-N 1 1 329.360 1.329 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCn1cc[nH+]c1C(C)C ZINC000748843393 579703554 /nfs/dbraw/zinc/70/35/54/579703554.db2.gz AQFGLJVSCQWOEX-UHFFFAOYSA-N 1 1 334.380 1.626 20 5 EDBDMO Cc1n[nH]c(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c1[N+](=O)[O-] ZINC000749735262 579737412 /nfs/dbraw/zinc/73/74/12/579737412.db2.gz ZQAIDCKOCYRAII-UHFFFAOYSA-N 1 1 341.331 1.445 20 5 EDBDMO CCOC(=O)[C@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749936933 579744300 /nfs/dbraw/zinc/74/43/00/579744300.db2.gz HMUHWDKCKUMPPN-LBPRGKRZSA-N 1 1 347.375 1.881 20 5 EDBDMO CCOC(=O)[C@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749936933 579744302 /nfs/dbraw/zinc/74/43/02/579744302.db2.gz HMUHWDKCKUMPPN-LBPRGKRZSA-N 1 1 347.375 1.881 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000751304070 579800826 /nfs/dbraw/zinc/80/08/26/579800826.db2.gz QIBDXXHEKYWACI-ZDUSSCGKSA-N 1 1 339.367 1.821 20 5 EDBDMO C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000778050202 580455495 /nfs/dbraw/zinc/45/54/95/580455495.db2.gz KWHCYMCFNSKQRX-MFKMUULPSA-N 1 1 343.330 1.522 20 5 EDBDMO C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000778050202 580455496 /nfs/dbraw/zinc/45/54/96/580455496.db2.gz KWHCYMCFNSKQRX-MFKMUULPSA-N 1 1 343.330 1.522 20 5 EDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778295974 580461142 /nfs/dbraw/zinc/46/11/42/580461142.db2.gz YVBCSIPHHLLMHE-VIFPVBQESA-N 1 1 335.389 1.671 20 5 EDBDMO COc1cc(OCC(=O)NCC[N@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000783919422 580608237 /nfs/dbraw/zinc/60/82/37/580608237.db2.gz XSZODZXUFHZFPC-LBPRGKRZSA-N 1 1 337.376 1.583 20 5 EDBDMO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000788486089 580722641 /nfs/dbraw/zinc/72/26/41/580722641.db2.gz SCOILPHQMREXNG-AWEZNQCLSA-N 1 1 326.324 1.480 20 5 EDBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000800606724 581055565 /nfs/dbraw/zinc/05/55/65/581055565.db2.gz FFOHRAYNDFKORA-SNVBAGLBSA-N 1 1 338.339 1.049 20 5 EDBDMO C[C@H]1C[N@@H+](CCCOC(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000893389680 590828924 /nfs/dbraw/zinc/82/89/24/590828924.db2.gz AGQHFDZKYWJEKR-ZDUSSCGKSA-N 1 1 338.360 1.628 20 5 EDBDMO CCC(CC)[C@@H](CNc1c([N+](=O)[O-])cnn1C)[NH+]1CCOCC1 ZINC000891679017 591181105 /nfs/dbraw/zinc/18/11/05/591181105.db2.gz OXDUZFVBFZQGAH-CYBMUJFWSA-N 1 1 325.413 1.877 20 5 EDBDMO C[N@H+]1CCC[C@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000892986465 591246890 /nfs/dbraw/zinc/24/68/90/591246890.db2.gz WSPRZARPHOPNDD-HNNXBMFYSA-N 1 1 343.387 1.664 20 5 EDBDMO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000895770066 591269804 /nfs/dbraw/zinc/26/98/04/591269804.db2.gz CSQLHNPGAGROSF-ZDUSSCGKSA-N 1 1 339.779 1.633 20 5 EDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1[N+](=O)[O-] ZINC000894510609 591327990 /nfs/dbraw/zinc/32/79/90/591327990.db2.gz FMRVRXZDRUIRPD-ZDUSSCGKSA-N 1 1 349.387 1.753 20 5 EDBDMO CCOc1cc(N(C)CC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000894959175 591493822 /nfs/dbraw/zinc/49/38/22/591493822.db2.gz VJKSOAQZANGGHU-UHFFFAOYSA-N 1 1 336.392 1.204 20 5 EDBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000894953514 591498909 /nfs/dbraw/zinc/49/89/09/591498909.db2.gz HBDKQJCWKRNQSV-UHFFFAOYSA-N 1 1 343.387 1.353 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@]2(C)C1 ZINC000896913296 591676741 /nfs/dbraw/zinc/67/67/41/591676741.db2.gz QAZIZOAQNPVHIR-HWPZZCPQSA-N 1 1 329.360 1.632 20 5 EDBDMO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](C)CCN1C ZINC000895245769 591677334 /nfs/dbraw/zinc/67/73/34/591677334.db2.gz ICAHLBFUDNYZOB-XHDPSFHLSA-N 1 1 330.392 1.584 20 5 EDBDMO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CN(C)CC[N@@H+]1C ZINC000895245769 591677336 /nfs/dbraw/zinc/67/73/36/591677336.db2.gz ICAHLBFUDNYZOB-XHDPSFHLSA-N 1 1 330.392 1.584 20 5 EDBDMO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CN(C)CC[N@H+]1C ZINC000895245769 591677338 /nfs/dbraw/zinc/67/73/38/591677338.db2.gz ICAHLBFUDNYZOB-XHDPSFHLSA-N 1 1 330.392 1.584 20 5 EDBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)s1 ZINC000897220561 591774074 /nfs/dbraw/zinc/77/40/74/591774074.db2.gz XNQUBUDSFDOGCX-NWDGAFQWSA-N 1 1 349.416 1.635 20 5 EDBDMO COCC[NH+](CCOC)C1CN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000898258487 591844023 /nfs/dbraw/zinc/84/40/23/591844023.db2.gz MVEBHYCRVIEYQV-UHFFFAOYSA-N 1 1 337.376 1.014 20 5 EDBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900807676 592131053 /nfs/dbraw/zinc/13/10/53/592131053.db2.gz UYRHEHJLRCZUBC-LRDDRELGSA-N 1 1 349.435 1.025 20 5 EDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000907193945 592553024 /nfs/dbraw/zinc/55/30/24/592553024.db2.gz ZUIJUOQJAGHESP-RYUDHWBXSA-N 1 1 349.387 1.921 20 5 EDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000907193945 592553027 /nfs/dbraw/zinc/55/30/27/592553027.db2.gz ZUIJUOQJAGHESP-RYUDHWBXSA-N 1 1 349.387 1.921 20 5 EDBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839592182 593346066 /nfs/dbraw/zinc/34/60/66/593346066.db2.gz HODVSWPOGZIMOV-AMIZOPFISA-N 1 1 340.767 1.301 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000817490065 593607527 /nfs/dbraw/zinc/60/75/27/593607527.db2.gz LPSYSAOUVZHOSN-LBPRGKRZSA-N 1 1 336.348 1.978 20 5 EDBDMO Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000822478102 594054760 /nfs/dbraw/zinc/05/47/60/594054760.db2.gz QNOURIJOXPSRLC-UHFFFAOYSA-N 1 1 328.336 1.782 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000827675742 594256174 /nfs/dbraw/zinc/25/61/74/594256174.db2.gz YFKQRNOAMKOJLP-GHMZBOCLSA-N 1 1 338.383 1.965 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000827675742 594256176 /nfs/dbraw/zinc/25/61/76/594256176.db2.gz YFKQRNOAMKOJLP-GHMZBOCLSA-N 1 1 338.383 1.965 20 5 EDBDMO CN(C)C(=O)O[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830584264 594429534 /nfs/dbraw/zinc/42/95/34/594429534.db2.gz HLYGBSPPSUMBLC-LSDHHAIUSA-N 1 1 337.376 1.791 20 5 EDBDMO CN(C)C(=O)O[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830584264 594429537 /nfs/dbraw/zinc/42/95/37/594429537.db2.gz HLYGBSPPSUMBLC-LSDHHAIUSA-N 1 1 337.376 1.791 20 5 EDBDMO CC(C)(CCC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[N+](=O)[O-] ZINC000826982709 594616314 /nfs/dbraw/zinc/61/63/14/594616314.db2.gz ONFDDMVWXHIXAW-KGLIPLIRSA-N 1 1 327.425 1.582 20 5 EDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833565812 594875835 /nfs/dbraw/zinc/87/58/35/594875835.db2.gz MFJVYNLYYBUEHJ-GFCCVEGCSA-N 1 1 341.795 1.825 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836585742 594977190 /nfs/dbraw/zinc/97/71/90/594977190.db2.gz RIDISPHHJWMWEZ-UHFFFAOYSA-N 1 1 329.784 1.865 20 5 EDBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000848374474 595370953 /nfs/dbraw/zinc/37/09/53/595370953.db2.gz HJDKLGMGHSVJRV-UHFFFAOYSA-N 1 1 335.751 1.934 20 5 EDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487119 595392983 /nfs/dbraw/zinc/39/29/83/595392983.db2.gz PWNIQOHGFCMYRE-LBPRGKRZSA-N 1 1 329.360 1.613 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)cc1F ZINC000867374682 595410053 /nfs/dbraw/zinc/41/00/53/595410053.db2.gz KLUDOOYHZGJOSQ-JTQLQIEISA-N 1 1 331.369 1.272 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000847939681 595503016 /nfs/dbraw/zinc/50/30/16/595503016.db2.gz WUZZUBVIRSPGPZ-UHFFFAOYSA-N 1 1 349.322 1.185 20 5 EDBDMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000111171023 595709862 /nfs/dbraw/zinc/70/98/62/595709862.db2.gz UBGLTUQQTFATFU-OAHLLOKOSA-N 1 1 343.387 1.989 20 5 EDBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000111171023 595709865 /nfs/dbraw/zinc/70/98/65/595709865.db2.gz UBGLTUQQTFATFU-OAHLLOKOSA-N 1 1 343.387 1.989 20 5 EDBDMO O=C1CCCN1[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000111171021 595709964 /nfs/dbraw/zinc/70/99/64/595709964.db2.gz UBGLTUQQTFATFU-HNNXBMFYSA-N 1 1 343.387 1.989 20 5 EDBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000111171021 595709965 /nfs/dbraw/zinc/70/99/65/595709965.db2.gz UBGLTUQQTFATFU-HNNXBMFYSA-N 1 1 343.387 1.989 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@H]4COC[C@H]4C3)n2)c1 ZINC000853589620 595817393 /nfs/dbraw/zinc/81/73/93/595817393.db2.gz VEBXMGBMAGXVHD-UONOGXRCSA-N 1 1 329.360 1.779 20 5 EDBDMO NC(=O)[C@](O)(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000851869753 595955716 /nfs/dbraw/zinc/95/57/16/595955716.db2.gz QAAOSPBUGNWFDM-SFHVURJKSA-N 1 1 341.367 1.326 20 5 EDBDMO Cc1c(C(=O)OCC[NH+]2CCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000861386163 595968812 /nfs/dbraw/zinc/96/88/12/595968812.db2.gz NEVLQOCXWWRZOR-UHFFFAOYSA-N 1 1 331.332 1.346 20 5 EDBDMO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1n[n-]c(=O)o1 ZINC000852188915 596078569 /nfs/dbraw/zinc/07/85/69/596078569.db2.gz QVNRQUMMRYQTJR-UHFFFAOYSA-N 1 1 339.283 1.283 20 5 EDBDMO C/C(=C/C(=O)N1CC(C[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000854589184 596128930 /nfs/dbraw/zinc/12/89/30/596128930.db2.gz DEXIEQJEDFGSPH-UVTDQMKNSA-N 1 1 345.399 1.789 20 5 EDBDMO O=C(CC[N@H+]1CC[C@@H](N2CCOC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000852435965 596161076 /nfs/dbraw/zinc/16/10/76/596161076.db2.gz URGFJVGFVKZDET-CQSZACIVSA-N 1 1 348.359 1.450 20 5 EDBDMO C[N@@H+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1(C)C ZINC000867681248 596494275 /nfs/dbraw/zinc/49/42/75/596494275.db2.gz ABVDPNLKFALEOS-UHFFFAOYSA-N 1 1 345.396 1.839 20 5 EDBDMO C[N@H+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1(C)C ZINC000867681248 596494277 /nfs/dbraw/zinc/49/42/77/596494277.db2.gz ABVDPNLKFALEOS-UHFFFAOYSA-N 1 1 345.396 1.839 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867813725 596565401 /nfs/dbraw/zinc/56/54/01/596565401.db2.gz YMTIXLLBFVGXQU-OCCSQVGLSA-N 1 1 339.417 1.618 20 5 EDBDMO CC(C)[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)[NH+]1CCOCC1 ZINC000865426784 596570925 /nfs/dbraw/zinc/57/09/25/596570925.db2.gz FFYJYLMBZDQICQ-MRXNPFEDSA-N 1 1 341.383 1.995 20 5 EDBDMO O=[N+]([O-])c1cc(CO)c(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1F ZINC000865484757 596588061 /nfs/dbraw/zinc/58/80/61/596588061.db2.gz IPUSCPLUPPKLCP-NWDGAFQWSA-N 1 1 325.340 1.501 20 5 EDBDMO C[C@H](CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)[N@@H+](C)C1CC1 ZINC000863504123 596603449 /nfs/dbraw/zinc/60/34/49/596603449.db2.gz ZLOVJQYOBSHYEV-DIFFPNOSSA-N 1 1 346.387 1.845 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CC[C@H]21 ZINC000866208233 596827839 /nfs/dbraw/zinc/82/78/39/596827839.db2.gz LJFNMOOSGOLKLZ-IINYFYTJSA-N 1 1 329.360 1.774 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000868448263 596841537 /nfs/dbraw/zinc/84/15/37/596841537.db2.gz HHWXXNYOAWEOSZ-HOCLYGCPSA-N 1 1 332.404 1.873 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000872663298 597018196 /nfs/dbraw/zinc/01/81/96/597018196.db2.gz JRTLPGRSBGUZGH-ZIAGYGMSSA-N 1 1 339.417 1.760 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000872663362 597019237 /nfs/dbraw/zinc/01/92/37/597019237.db2.gz KCFHLNOOLXBIAK-UONOGXRCSA-N 1 1 325.390 1.452 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]21 ZINC000872726974 597047769 /nfs/dbraw/zinc/04/77/69/597047769.db2.gz XOWRYMUVWVBLLH-ZBFHGGJFSA-N 1 1 342.403 1.837 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000872779056 597064170 /nfs/dbraw/zinc/06/41/70/597064170.db2.gz DKHNFKVXKNJJNB-KBPBESRZSA-N 1 1 329.360 1.917 20 5 EDBDMO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876815318 597350412 /nfs/dbraw/zinc/35/04/12/597350412.db2.gz XCXSGYCTFSYEJX-GFCCVEGCSA-N 1 1 327.406 1.335 20 5 EDBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876815318 597350414 /nfs/dbraw/zinc/35/04/14/597350414.db2.gz XCXSGYCTFSYEJX-GFCCVEGCSA-N 1 1 327.406 1.335 20 5 EDBDMO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876815319 597350490 /nfs/dbraw/zinc/35/04/90/597350490.db2.gz XCXSGYCTFSYEJX-LBPRGKRZSA-N 1 1 327.406 1.335 20 5 EDBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876815319 597350493 /nfs/dbraw/zinc/35/04/93/597350493.db2.gz XCXSGYCTFSYEJX-LBPRGKRZSA-N 1 1 327.406 1.335 20 5 EDBDMO CC[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000877909886 597563464 /nfs/dbraw/zinc/56/34/64/597563464.db2.gz LGXIQTPKZDCQDY-UHFFFAOYSA-N 1 1 335.360 1.534 20 5 EDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000878359626 597597732 /nfs/dbraw/zinc/59/77/32/597597732.db2.gz RDYRHHZQXODMQH-NSHDSACASA-N 1 1 335.360 1.438 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000883892595 597932666 /nfs/dbraw/zinc/93/26/66/597932666.db2.gz RHPQNBDMBMPZFG-CQSZACIVSA-N 1 1 347.419 1.521 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000916666332 696716312 /nfs/dbraw/zinc/71/63/12/696716312.db2.gz HYSDXSAVQXYFCM-OLZOCXBDSA-N 1 1 339.417 1.475 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccnc(F)c1 ZINC001031574707 697266883 /nfs/dbraw/zinc/26/68/83/697266883.db2.gz POBNECIYYKADAN-UHFFFAOYSA-N 1 1 344.346 1.991 20 5 EDBDMO CC1([NH2+]Cc2cncc(F)c2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940107056 700218323 /nfs/dbraw/zinc/21/83/23/700218323.db2.gz FSAVWQQUSGRHLU-ZIAGYGMSSA-N 1 1 336.367 1.357 20 5 EDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccncn1 ZINC001032059756 703497103 /nfs/dbraw/zinc/49/71/03/703497103.db2.gz RIHLTKSUMJJPRN-UHFFFAOYSA-N 1 1 327.344 1.247 20 5 EDBDMO CN(C)c1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001002782731 709388461 /nfs/dbraw/zinc/38/84/61/709388461.db2.gz ORIMHUVARIMHMU-IAGOWNOFSA-N 1 1 346.431 1.498 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000451145032 539399276 /nfs/dbraw/zinc/39/92/76/539399276.db2.gz LPLWZSIRVBHAPA-HIFRSBDPSA-N 1 1 348.403 1.247 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000451145032 539399282 /nfs/dbraw/zinc/39/92/82/539399282.db2.gz LPLWZSIRVBHAPA-HIFRSBDPSA-N 1 1 348.403 1.247 20 5 EDBDMO C[N@H+]1CCC[C@@H](CN[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000563347912 306328780 /nfs/dbraw/zinc/32/87/80/306328780.db2.gz GDBXJMROHPEAGA-WFASDCNBSA-N 1 1 346.387 1.158 20 5 EDBDMO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184200068 235331350 /nfs/dbraw/zinc/33/13/50/235331350.db2.gz VTHMZGWCPKIFSC-NXEZZACHSA-N 1 1 325.340 1.828 20 5 EDBDMO COc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184200068 235331351 /nfs/dbraw/zinc/33/13/51/235331351.db2.gz VTHMZGWCPKIFSC-NXEZZACHSA-N 1 1 325.340 1.828 20 5 EDBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000065881198 138174613 /nfs/dbraw/zinc/17/46/13/138174613.db2.gz TXFBWACIWDZABX-UHFFFAOYSA-N 1 1 331.376 1.559 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccco2)c1 ZINC000065978372 138175452 /nfs/dbraw/zinc/17/54/52/138175452.db2.gz RPAJVPLCWLGVHV-UHFFFAOYSA-N 1 1 325.346 1.256 20 5 EDBDMO Cc1c(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cccc1[N+](=O)[O-] ZINC000120683326 138316168 /nfs/dbraw/zinc/31/61/68/138316168.db2.gz GMGPRRSDFAAXQA-AWEZNQCLSA-N 1 1 339.417 1.559 20 5 EDBDMO Cc1c(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cccc1[N+](=O)[O-] ZINC000120683326 138316169 /nfs/dbraw/zinc/31/61/69/138316169.db2.gz GMGPRRSDFAAXQA-AWEZNQCLSA-N 1 1 339.417 1.559 20 5 EDBDMO NC(=O)c1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000030284159 201066162 /nfs/dbraw/zinc/06/61/62/201066162.db2.gz GSUCEQQBTGQPCC-UHFFFAOYSA-N 1 1 346.387 1.184 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2cnnc2C1 ZINC000105879322 204175337 /nfs/dbraw/zinc/17/53/37/204175337.db2.gz ODYYKMMKIVCRGJ-UHFFFAOYSA-N 1 1 330.348 1.339 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCn2cnnc2C1 ZINC000105879322 204175340 /nfs/dbraw/zinc/17/53/40/204175340.db2.gz ODYYKMMKIVCRGJ-UHFFFAOYSA-N 1 1 330.348 1.339 20 5 EDBDMO CCCc1n[nH]c(C(=O)NCCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000130407895 205237610 /nfs/dbraw/zinc/23/76/10/205237610.db2.gz LPCMIBLTDFMUIN-UHFFFAOYSA-N 1 1 334.380 1.986 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131614845 205297342 /nfs/dbraw/zinc/29/73/42/205297342.db2.gz QOMIBOCYROWOOC-MRXNPFEDSA-N 1 1 335.404 1.490 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000132618183 205334730 /nfs/dbraw/zinc/33/47/30/205334730.db2.gz KYAIMNXEZTYANR-JSGCOSHPSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132618183 205334735 /nfs/dbraw/zinc/33/47/35/205334735.db2.gz KYAIMNXEZTYANR-JSGCOSHPSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132618183 205334739 /nfs/dbraw/zinc/33/47/39/205334739.db2.gz KYAIMNXEZTYANR-JSGCOSHPSA-N 1 1 343.387 1.958 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159581201 206252541 /nfs/dbraw/zinc/25/25/41/206252541.db2.gz SVXJAESPYDRVGG-FZMZJTMJSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159581201 206252546 /nfs/dbraw/zinc/25/25/46/206252546.db2.gz SVXJAESPYDRVGG-FZMZJTMJSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246704900 139118028 /nfs/dbraw/zinc/11/80/28/139118028.db2.gz KHXGUTUHPQSNJY-RYUDHWBXSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246704900 139118029 /nfs/dbraw/zinc/11/80/29/139118029.db2.gz KHXGUTUHPQSNJY-RYUDHWBXSA-N 1 1 337.376 1.131 20 5 EDBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000160047284 206276474 /nfs/dbraw/zinc/27/64/74/206276474.db2.gz ZVLIKFFECLECSK-VXGBXAGGSA-N 1 1 339.396 1.185 20 5 EDBDMO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)C1 ZINC000160047284 206276477 /nfs/dbraw/zinc/27/64/77/206276477.db2.gz ZVLIKFFECLECSK-VXGBXAGGSA-N 1 1 339.396 1.185 20 5 EDBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)C1 ZINC000160047284 206276481 /nfs/dbraw/zinc/27/64/81/206276481.db2.gz ZVLIKFFECLECSK-VXGBXAGGSA-N 1 1 339.396 1.185 20 5 EDBDMO CC[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000246768846 139120795 /nfs/dbraw/zinc/12/07/95/139120795.db2.gz ICQBRKZDPHLAIF-JQWIXIFHSA-N 1 1 327.406 1.574 20 5 EDBDMO CC[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000246768846 139120796 /nfs/dbraw/zinc/12/07/96/139120796.db2.gz ICQBRKZDPHLAIF-JQWIXIFHSA-N 1 1 327.406 1.574 20 5 EDBDMO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)CC[N@H+]1C[C@H](C)O ZINC000247047680 139133163 /nfs/dbraw/zinc/13/31/63/139133163.db2.gz YICKIECXOIONKZ-JSGCOSHPSA-N 1 1 335.404 1.820 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000248927210 139180953 /nfs/dbraw/zinc/18/09/53/139180953.db2.gz XIXCUWCZWPUFLW-DGCLKSJQSA-N 1 1 329.360 1.568 20 5 EDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] 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CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000192798827 272986728 /nfs/dbraw/zinc/98/67/28/272986728.db2.gz DRDIWXPHGZKDRV-GFCCVEGCSA-N 1 1 337.376 1.132 20 5 EDBDMO O=[N+]([O-])c1cnc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)nc1 ZINC000273904318 268091573 /nfs/dbraw/zinc/09/15/73/268091573.db2.gz IDBJJLSLEMCTFH-HNNXBMFYSA-N 1 1 329.360 1.564 20 5 EDBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274036994 268100854 /nfs/dbraw/zinc/10/08/54/268100854.db2.gz XMAGCWLUOBGHNV-YGRLFVJLSA-N 1 1 325.390 1.356 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274036994 268100856 /nfs/dbraw/zinc/10/08/56/268100856.db2.gz XMAGCWLUOBGHNV-YGRLFVJLSA-N 1 1 325.390 1.356 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOCC12CCCC2 ZINC000273155956 273030341 /nfs/dbraw/zinc/03/03/41/273030341.db2.gz MTVTWGWCVOVOGK-AWEZNQCLSA-N 1 1 336.388 1.980 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000273543116 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CQRVHMICOFHBHM-VIFPVBQESA-N 1 1 334.298 1.511 20 5 EDBDMO C[N@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000153108637 277125358 /nfs/dbraw/zinc/12/53/58/277125358.db2.gz LQUYZUQIGVWDFR-WDEREUQCSA-N 1 1 343.181 1.272 20 5 EDBDMO CNC(=O)c1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000268897392 277259161 /nfs/dbraw/zinc/25/91/61/277259161.db2.gz ZECSHCUGKLJLTP-KBPBESRZSA-N 1 1 332.404 1.875 20 5 EDBDMO C[C@](O)(CNc1nccc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000413162600 280144240 /nfs/dbraw/zinc/14/42/40/280144240.db2.gz OVMNIMLBDJVCSJ-KRWDZBQOSA-N 1 1 346.387 1.638 20 5 EDBDMO C[C@@H]1COCCN1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000191422025 288344845 /nfs/dbraw/zinc/34/48/45/288344845.db2.gz KGOVWSPBQVNQJG-OAHLLOKOSA-N 1 1 334.420 1.438 20 5 EDBDMO C[C@@H]1COCC[N@@H+]1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000191422025 288344847 /nfs/dbraw/zinc/34/48/47/288344847.db2.gz KGOVWSPBQVNQJG-OAHLLOKOSA-N 1 1 334.420 1.438 20 5 EDBDMO C[C@@H]1COCC[N@H+]1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000191422025 288344850 /nfs/dbraw/zinc/34/48/50/288344850.db2.gz KGOVWSPBQVNQJG-OAHLLOKOSA-N 1 1 334.420 1.438 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000291626163 289130275 /nfs/dbraw/zinc/13/02/75/289130275.db2.gz BDZDATVBPGREMV-OAHLLOKOSA-N 1 1 339.417 1.530 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264924 289301715 /nfs/dbraw/zinc/30/17/15/289301715.db2.gz ZBBSGHLNYYKIIF-NVXWUHKLSA-N 1 1 335.404 1.362 20 5 EDBDMO C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264924 289301718 /nfs/dbraw/zinc/30/17/18/289301718.db2.gz ZBBSGHLNYYKIIF-NVXWUHKLSA-N 1 1 335.404 1.362 20 5 EDBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000342676422 294411186 /nfs/dbraw/zinc/41/11/86/294411186.db2.gz KLYKAHLNKREVCH-GFCCVEGCSA-N 1 1 343.387 1.886 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)[C@H]2C1 ZINC000293983108 303047359 /nfs/dbraw/zinc/04/73/59/303047359.db2.gz VRCFFRWOXCLXHV-LSDHHAIUSA-N 1 1 349.387 1.539 20 5 EDBDMO COC[C@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000296669144 303329753 /nfs/dbraw/zinc/32/97/53/303329753.db2.gz KOQUDEOOUVBFDC-MRXNPFEDSA-N 1 1 337.376 1.900 20 5 EDBDMO COC[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000296669144 303329755 /nfs/dbraw/zinc/32/97/55/303329755.db2.gz KOQUDEOOUVBFDC-MRXNPFEDSA-N 1 1 337.376 1.900 20 5 EDBDMO COCC[NH+]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297549194 303411153 /nfs/dbraw/zinc/41/11/53/303411153.db2.gz JPDHLJXFEZAQMR-ZDUSSCGKSA-N 1 1 336.392 1.629 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)n1 ZINC000428699665 305014994 /nfs/dbraw/zinc/01/49/94/305014994.db2.gz JQQMKUBLELRTAW-UHFFFAOYSA-N 1 1 342.421 1.082 20 5 EDBDMO CC(C)([NH2+]CC(=O)Nc1nc(C2CC2)no1)c1ccccc1[N+](=O)[O-] ZINC000429234901 305026104 /nfs/dbraw/zinc/02/61/04/305026104.db2.gz ZOVWIXNMROXJCF-UHFFFAOYSA-N 1 1 345.359 1.741 20 5 EDBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCCC[N@@H+]3CCO)cc2N1 ZINC000450609724 305330881 /nfs/dbraw/zinc/33/08/81/305330881.db2.gz GCPKISJZAFIOAA-ZDUSSCGKSA-N 1 1 348.403 1.738 20 5 EDBDMO CCOC(=O)[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC12COC2 ZINC000451134251 305332015 /nfs/dbraw/zinc/33/20/15/305332015.db2.gz KPEIHLKPMCHUOY-OAHLLOKOSA-N 1 1 334.372 1.649 20 5 EDBDMO COC(=O)c1n[nH]c2c1C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000451735028 305365878 /nfs/dbraw/zinc/36/58/78/305365878.db2.gz JFJVXJBMQOMRAD-UHFFFAOYSA-N 1 1 346.343 1.542 20 5 EDBDMO COC(=O)c1n[nH]c2c1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000451735028 305365879 /nfs/dbraw/zinc/36/58/79/305365879.db2.gz JFJVXJBMQOMRAD-UHFFFAOYSA-N 1 1 346.343 1.542 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452064316 305381665 /nfs/dbraw/zinc/38/16/65/305381665.db2.gz FEKFKHJOFDSATB-YPMHNXCESA-N 1 1 337.376 1.635 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452368224 305393575 /nfs/dbraw/zinc/39/35/75/305393575.db2.gz QNTUCWZJZJSAMS-MRXNPFEDSA-N 1 1 335.404 1.490 20 5 EDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000549157629 306145043 /nfs/dbraw/zinc/14/50/43/306145043.db2.gz GCDYIDHMNDTNSL-YPMHNXCESA-N 1 1 329.360 1.883 20 5 EDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000554835322 306198416 /nfs/dbraw/zinc/19/84/16/306198416.db2.gz SHGGVTULCONOFZ-IRXDYDNUSA-N 1 1 338.404 1.626 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@H+]1C ZINC000449939783 447416679 /nfs/dbraw/zinc/41/66/79/447416679.db2.gz KDJFDNBMVPDNEY-GXTWGEPZSA-N 1 1 343.387 1.993 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046036540 441072117 /nfs/dbraw/zinc/07/21/17/441072117.db2.gz IYCJKDSZAJMCAF-ZIAGYGMSSA-N 1 1 339.417 1.808 20 5 EDBDMO CC[N@H+](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000102932896 441173197 /nfs/dbraw/zinc/17/31/97/441173197.db2.gz NBNIYABOKYQZHD-UHFFFAOYSA-N 1 1 331.369 1.497 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000102932896 441173202 /nfs/dbraw/zinc/17/32/02/441173202.db2.gz NBNIYABOKYQZHD-UHFFFAOYSA-N 1 1 331.369 1.497 20 5 EDBDMO C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C2(CCCCC2)C1 ZINC000080940472 441210143 /nfs/dbraw/zinc/21/01/43/441210143.db2.gz PDQIGPVUHYNZAC-UHFFFAOYSA-N 1 1 348.403 1.233 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000072697086 441252077 /nfs/dbraw/zinc/25/20/77/441252077.db2.gz JWFZAHVBIRDCKF-LBPRGKRZSA-N 1 1 346.387 1.524 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1C ZINC000105790545 441270461 /nfs/dbraw/zinc/27/04/61/441270461.db2.gz LCVNJSNFHZWINJ-NXEZZACHSA-N 1 1 325.394 1.195 20 5 EDBDMO NC(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000026594536 441380967 /nfs/dbraw/zinc/38/09/67/441380967.db2.gz VSRWHXOTDDYNKR-UHFFFAOYSA-N 1 1 341.371 1.411 20 5 EDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000074104251 441393361 /nfs/dbraw/zinc/39/33/61/441393361.db2.gz LLFUFNBSLUJKGO-CYBMUJFWSA-N 1 1 337.376 1.201 20 5 EDBDMO C[NH+](C)CCN1CCC(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000074138443 441399674 /nfs/dbraw/zinc/39/96/74/441399674.db2.gz PSUVTKBZDCUXFE-UHFFFAOYSA-N 1 1 348.447 1.527 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108561074 441464681 /nfs/dbraw/zinc/46/46/81/441464681.db2.gz ZBLMWHHPNXNWNQ-LBPRGKRZSA-N 1 1 336.392 1.744 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108561071 441465133 /nfs/dbraw/zinc/46/51/33/441465133.db2.gz ZBLMWHHPNXNWNQ-GFCCVEGCSA-N 1 1 336.392 1.744 20 5 EDBDMO CC[N@H+]1CCC[C@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000112075867 441544663 /nfs/dbraw/zinc/54/46/63/441544663.db2.gz LZQURHMURLZHGT-JTQLQIEISA-N 1 1 328.394 1.138 20 5 EDBDMO COC[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000112987191 441575195 /nfs/dbraw/zinc/57/51/95/441575195.db2.gz HZUKHRRUNRKNHB-CYBMUJFWSA-N 1 1 333.388 1.842 20 5 EDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC(CO)CC1 ZINC000089924753 441595675 /nfs/dbraw/zinc/59/56/75/441595675.db2.gz IWJTXTCHBZCDRU-UHFFFAOYSA-N 1 1 347.415 1.967 20 5 EDBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055266082 441636101 /nfs/dbraw/zinc/63/61/01/441636101.db2.gz BRAXQXKCPQXCNS-UHFFFAOYSA-N 1 1 342.352 1.607 20 5 EDBDMO CNS(=O)(=O)c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000067711371 441671252 /nfs/dbraw/zinc/67/12/52/441671252.db2.gz XIJYMYJXCMWXFY-JTQLQIEISA-N 1 1 340.405 1.152 20 5 EDBDMO CCOCCC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000115521113 441751768 /nfs/dbraw/zinc/75/17/68/441751768.db2.gz CGHHFDAJOMXBQT-NEPJUHHUSA-N 1 1 338.412 1.516 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000137591782 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335.408 1.197 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000192917719 442697971 /nfs/dbraw/zinc/69/79/71/442697971.db2.gz SMCDBLLCHGJMHL-TXEJJXNPSA-N 1 1 325.390 1.085 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1C ZINC000192920357 442698550 /nfs/dbraw/zinc/69/85/50/442698550.db2.gz HMUKPHWARIDWCP-BETUJISGSA-N 1 1 339.417 1.394 20 5 EDBDMO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181491852 442700199 /nfs/dbraw/zinc/70/01/99/442700199.db2.gz JRFURAXCCYFWCF-CHWSQXEVSA-N 1 1 335.408 1.561 20 5 EDBDMO CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000182634082 442799583 /nfs/dbraw/zinc/79/95/83/442799583.db2.gz BBTMIVJXPHGAPI-LBPRGKRZSA-N 1 1 349.387 1.757 20 5 EDBDMO CCOC(=O)C[C@H](C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000182634082 442799588 /nfs/dbraw/zinc/79/95/88/442799588.db2.gz BBTMIVJXPHGAPI-LBPRGKRZSA-N 1 1 349.387 1.757 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193606034 442758948 /nfs/dbraw/zinc/75/89/48/442758948.db2.gz DIUNCINBTSAYQP-TXEJJXNPSA-N 1 1 334.376 1.035 20 5 EDBDMO Cc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000188672895 442785420 /nfs/dbraw/zinc/78/54/20/442785420.db2.gz MZZVAWMWFDRREW-ZDUSSCGKSA-N 1 1 335.404 1.820 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000265583460 442833475 /nfs/dbraw/zinc/83/34/75/442833475.db2.gz WYSJMNNIJXNUGJ-NSHDSACASA-N 1 1 327.772 1.395 20 5 EDBDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246874865 442818983 /nfs/dbraw/zinc/81/89/83/442818983.db2.gz JQGMJJHGTDMHIU-HIFRSBDPSA-N 1 1 347.419 1.877 20 5 EDBDMO C[C@H](CO)[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](C)O ZINC000248970232 442941690 /nfs/dbraw/zinc/94/16/90/442941690.db2.gz SMLYTLBHNAEKTF-MNOVXSKESA-N 1 1 336.348 1.208 20 5 EDBDMO C[C@H](CO)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](C)O ZINC000248970232 442941694 /nfs/dbraw/zinc/94/16/94/442941694.db2.gz SMLYTLBHNAEKTF-MNOVXSKESA-N 1 1 336.348 1.208 20 5 EDBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1OC ZINC000265910914 442966271 /nfs/dbraw/zinc/96/62/71/442966271.db2.gz TWDREHHRVAAUEW-OLZOCXBDSA-N 1 1 349.387 1.969 20 5 EDBDMO COc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1OC ZINC000265910922 442966428 /nfs/dbraw/zinc/96/64/28/442966428.db2.gz TWDREHHRVAAUEW-STQMWFEESA-N 1 1 349.387 1.969 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000265970649 442988475 /nfs/dbraw/zinc/98/84/75/442988475.db2.gz KTIJCFFKBUAFFR-LLVKDONJSA-N 1 1 342.421 1.020 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000184517134 443033356 /nfs/dbraw/zinc/03/33/56/443033356.db2.gz UGTRUQWYCWZGQZ-LBPRGKRZSA-N 1 1 334.376 1.218 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](OCCO)C2)c([N+](=O)[O-])c1 ZINC000266526969 443157754 /nfs/dbraw/zinc/15/77/54/443157754.db2.gz KSVQUQLHBAXDRR-CQSZACIVSA-N 1 1 340.376 1.456 20 5 EDBDMO CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245455326 443228821 /nfs/dbraw/zinc/22/88/21/443228821.db2.gz SKZVJFFIKLYYRX-CHWSQXEVSA-N 1 1 335.408 1.733 20 5 EDBDMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000264305960 443259295 /nfs/dbraw/zinc/25/92/95/443259295.db2.gz XJCJHXLLCSGYJO-NSHDSACASA-N 1 1 332.364 1.863 20 5 EDBDMO C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000185934539 443286350 /nfs/dbraw/zinc/28/63/50/443286350.db2.gz CIEOHEUWTCFCMK-QWRGUYRKSA-N 1 1 325.390 1.498 20 5 EDBDMO C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000185934539 443286354 /nfs/dbraw/zinc/28/63/54/443286354.db2.gz CIEOHEUWTCFCMK-QWRGUYRKSA-N 1 1 325.390 1.498 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000266986789 443308923 /nfs/dbraw/zinc/30/89/23/443308923.db2.gz GAZAALUCDRKMQQ-LBPRGKRZSA-N 1 1 349.387 1.922 20 5 EDBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282564600 443375483 /nfs/dbraw/zinc/37/54/83/443375483.db2.gz DWJGYDHORVDVNM-CQSZACIVSA-N 1 1 334.376 1.476 20 5 EDBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269656860 443382562 /nfs/dbraw/zinc/38/25/62/443382562.db2.gz OTDOFTOIPKJBDV-WBVHZDCISA-N 1 1 347.415 1.866 20 5 EDBDMO COc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc([N+](=O)[O-])c1OC ZINC000272557242 443362792 /nfs/dbraw/zinc/36/27/92/443362792.db2.gz DONSDWAXUMJGGO-BXUZGUMPSA-N 1 1 349.387 1.778 20 5 EDBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000282518271 443363133 /nfs/dbraw/zinc/36/31/33/443363133.db2.gz OKJNRMAEHVFYNA-UHFFFAOYSA-N 1 1 338.339 1.145 20 5 EDBDMO COc1cc(OCC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272687969 443409771 /nfs/dbraw/zinc/40/97/71/443409771.db2.gz WOIUHMAGWGJRHV-DOMZBBRYSA-N 1 1 349.387 1.535 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278848559 443460482 /nfs/dbraw/zinc/46/04/82/443460482.db2.gz JZRVHVUCHYVEQH-MEDUHNTESA-N 1 1 332.360 1.134 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278848559 443460486 /nfs/dbraw/zinc/46/04/86/443460486.db2.gz JZRVHVUCHYVEQH-MEDUHNTESA-N 1 1 332.360 1.134 20 5 EDBDMO COC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000264978243 443497730 /nfs/dbraw/zinc/49/77/30/443497730.db2.gz JQLJAXQKOHZYDU-SNVBAGLBSA-N 1 1 339.348 1.283 20 5 EDBDMO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000264978243 443497734 /nfs/dbraw/zinc/49/77/34/443497734.db2.gz JQLJAXQKOHZYDU-SNVBAGLBSA-N 1 1 339.348 1.283 20 5 EDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC2(CCOCC2)O1 ZINC000279984516 443653333 /nfs/dbraw/zinc/65/33/33/443653333.db2.gz ZQNXSWZZDZDESU-ZDUSSCGKSA-N 1 1 337.376 1.026 20 5 EDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC2(CCOCC2)O1 ZINC000279984516 443653334 /nfs/dbraw/zinc/65/33/34/443653334.db2.gz ZQNXSWZZDZDESU-ZDUSSCGKSA-N 1 1 337.376 1.026 20 5 EDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CCO)c1ccccc1 ZINC000441421421 320095171 /nfs/dbraw/zinc/09/51/71/320095171.db2.gz OAXIRUYBHDPCLF-JKSUJKDBSA-N 1 1 334.376 1.208 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000454072698 320282201 /nfs/dbraw/zinc/28/22/01/320282201.db2.gz UGJRITHHOJSCBH-UHFFFAOYSA-N 1 1 348.403 1.832 20 5 EDBDMO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459820832 320350188 /nfs/dbraw/zinc/35/01/88/320350188.db2.gz FIGCRRYLLNDPKA-OXHMUOHRSA-N 1 1 343.767 1.579 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492742568 320384506 /nfs/dbraw/zinc/38/45/06/320384506.db2.gz XJYHKWHKOHFISD-WBTMPAOCSA-N 1 1 347.415 1.912 20 5 EDBDMO COc1cc(C[N@H+](CCOCCO)C(C)C)c([N+](=O)[O-])cc1F ZINC000283748478 443706237 /nfs/dbraw/zinc/70/62/37/443706237.db2.gz KDXPMQSWLKJGBS-UHFFFAOYSA-N 1 1 330.356 1.962 20 5 EDBDMO COc1cc(C[N@@H+](CCOCCO)C(C)C)c([N+](=O)[O-])cc1F ZINC000283748478 443706238 /nfs/dbraw/zinc/70/62/38/443706238.db2.gz KDXPMQSWLKJGBS-UHFFFAOYSA-N 1 1 330.356 1.962 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000298511002 443787379 /nfs/dbraw/zinc/78/73/79/443787379.db2.gz WUHFXRLADBVBPI-KGLIPLIRSA-N 1 1 325.390 1.500 20 5 EDBDMO C[C@]1(C(N)=O)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000280830261 443753324 /nfs/dbraw/zinc/75/33/24/443753324.db2.gz VVSNRXUSWHEGBV-HNNXBMFYSA-N 1 1 338.339 1.260 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1C ZINC000281105330 443819514 /nfs/dbraw/zinc/81/95/14/443819514.db2.gz FSVOLEDMFGYXTO-GHMZBOCLSA-N 1 1 347.375 1.135 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000281121868 443824885 /nfs/dbraw/zinc/82/48/85/443824885.db2.gz WVTRVBQHFGMOFF-AWEZNQCLSA-N 1 1 335.408 1.705 20 5 EDBDMO CCOC(=O)c1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000285088226 443851580 /nfs/dbraw/zinc/85/15/80/443851580.db2.gz QBEIZFFMDAALJJ-HOTGVXAUSA-N 1 1 349.387 1.681 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000285297341 443931410 /nfs/dbraw/zinc/93/14/10/443931410.db2.gz LRYPGOKAPUVHLB-MNOVXSKESA-N 1 1 329.347 1.760 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000299184886 443977291 /nfs/dbraw/zinc/97/72/91/443977291.db2.gz BUARVASQSOOMDM-ZDUSSCGKSA-N 1 1 346.387 1.457 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H](C)OC ZINC000285619767 444050061 /nfs/dbraw/zinc/05/00/61/444050061.db2.gz KHPYCLIHUUXYQM-NSHDSACASA-N 1 1 325.365 1.899 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000293419385 444011950 /nfs/dbraw/zinc/01/19/50/444011950.db2.gz ZSABPQXBXHPFBU-DLBZAZTESA-N 1 1 335.404 1.769 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285707459 444079896 /nfs/dbraw/zinc/07/98/96/444079896.db2.gz JDHVQYGPIDIRMZ-HOTGVXAUSA-N 1 1 333.388 1.459 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000564623339 321137958 /nfs/dbraw/zinc/13/79/58/321137958.db2.gz WODBLRJLCHPXFS-NSHDSACASA-N 1 1 341.433 1.832 20 5 EDBDMO Cc1nc(CC[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000299615883 444096711 /nfs/dbraw/zinc/09/67/11/444096711.db2.gz PDIFFHRBHAVNGJ-ZDUSSCGKSA-N 1 1 336.348 1.200 20 5 EDBDMO C[NH2+][C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000285818073 444117650 /nfs/dbraw/zinc/11/76/50/444117650.db2.gz SOFMGSMHNBOGIX-INIZCTEOSA-N 1 1 345.403 1.728 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000301181449 444152398 /nfs/dbraw/zinc/15/23/98/444152398.db2.gz NFQNERGWGZNTTE-UHFFFAOYSA-N 1 1 342.403 1.927 20 5 EDBDMO O=c1nc(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)[nH][nH]1 ZINC000289562995 444172780 /nfs/dbraw/zinc/17/27/80/444172780.db2.gz XYEJKWKFARMOTR-UHFFFAOYSA-N 1 1 344.331 1.527 20 5 EDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C[C@H]21 ZINC000301666451 444184226 /nfs/dbraw/zinc/18/42/26/444184226.db2.gz ONXVPFHOFAJOTE-DGCLKSJQSA-N 1 1 329.303 1.715 20 5 EDBDMO CC(C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCOCC1 ZINC000301834574 444193005 /nfs/dbraw/zinc/19/30/05/444193005.db2.gz KMGWDEUCLVPVCW-LBPRGKRZSA-N 1 1 334.380 1.406 20 5 EDBDMO CC(C)C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCOCC1 ZINC000301843856 444193256 /nfs/dbraw/zinc/19/32/56/444193256.db2.gz RTXVQUDLVXCEFC-ZDUSSCGKSA-N 1 1 348.407 1.796 20 5 EDBDMO C[N@@H+](C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000290051925 444235976 /nfs/dbraw/zinc/23/59/76/444235976.db2.gz RVJKPXKEPPMTEY-KRWDZBQOSA-N 1 1 334.420 1.172 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000304311835 444246316 /nfs/dbraw/zinc/24/63/16/444246316.db2.gz MFWTXZKTGMGKHU-HOCLYGCPSA-N 1 1 331.376 1.339 20 5 EDBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000331180764 444433427 /nfs/dbraw/zinc/43/34/27/444433427.db2.gz YYZBOJGTLWVRNL-CYBMUJFWSA-N 1 1 327.406 1.417 20 5 EDBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000331180764 444433430 /nfs/dbraw/zinc/43/34/30/444433430.db2.gz YYZBOJGTLWVRNL-CYBMUJFWSA-N 1 1 327.406 1.417 20 5 EDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C[NH+](C)C)on1 ZINC000338319614 444629844 /nfs/dbraw/zinc/62/98/44/444629844.db2.gz CBCFTVJAAULHJT-UHFFFAOYSA-N 1 1 332.360 1.959 20 5 EDBDMO C[C@@H]([NH2+]CC(=O)NCC(=O)NC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000342276705 444608250 /nfs/dbraw/zinc/60/82/50/444608250.db2.gz FKEWMXHWYVPFFI-LLVKDONJSA-N 1 1 336.392 1.276 20 5 EDBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000343893996 444651247 /nfs/dbraw/zinc/65/12/47/444651247.db2.gz BSUGZOPHDAZBAM-UHFFFAOYSA-N 1 1 337.376 1.857 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[N@@H+](C)C1 ZINC000343873187 444639827 /nfs/dbraw/zinc/63/98/27/444639827.db2.gz HIZJYRRJZHNFTK-KBPBESRZSA-N 1 1 347.375 1.800 20 5 EDBDMO C[C@@H]1[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343976851 444705323 /nfs/dbraw/zinc/70/53/23/444705323.db2.gz JYCDIMMUTQZOPJ-OCCSQVGLSA-N 1 1 341.433 1.539 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344020558 444731882 /nfs/dbraw/zinc/73/18/82/444731882.db2.gz ANWCFTCQGSOSBV-BJJXKVORSA-N 1 1 333.388 1.935 20 5 EDBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000344056644 444755352 /nfs/dbraw/zinc/75/53/52/444755352.db2.gz IHDVIGKCKKDYPQ-UHFFFAOYSA-N 1 1 335.364 1.515 20 5 EDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000338582818 444755456 /nfs/dbraw/zinc/75/54/56/444755456.db2.gz QDTNORIPZLGCOX-HNNXBMFYSA-N 1 1 348.403 1.267 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnn2)c2c(c1)COCO2 ZINC000344024671 444735191 /nfs/dbraw/zinc/73/51/91/444735191.db2.gz FNUKGQVOWXDSEX-CQSZACIVSA-N 1 1 345.359 1.717 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2Cn2ccnn2)c2c(c1)COCO2 ZINC000344024671 444735194 /nfs/dbraw/zinc/73/51/94/444735194.db2.gz FNUKGQVOWXDSEX-CQSZACIVSA-N 1 1 345.359 1.717 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2Cn2ccnn2)c1 ZINC000344351089 444912590 /nfs/dbraw/zinc/91/25/90/444912590.db2.gz VHECKKWODHXABS-LSDHHAIUSA-N 1 1 347.375 1.091 20 5 EDBDMO O=C(CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337321564 445033114 /nfs/dbraw/zinc/03/31/14/445033114.db2.gz QIRZRLUPKOTQOI-GFCCVEGCSA-N 1 1 332.360 1.230 20 5 EDBDMO O=C(CC[N@H+]1CCN2C(=O)CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337321564 445033119 /nfs/dbraw/zinc/03/31/19/445033119.db2.gz QIRZRLUPKOTQOI-GFCCVEGCSA-N 1 1 332.360 1.230 20 5 EDBDMO Cc1noc(CN2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000337246237 445001914 /nfs/dbraw/zinc/00/19/14/445001914.db2.gz HOHITVLAQVGHJK-UHFFFAOYSA-N 1 1 331.376 1.647 20 5 EDBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000337255296 445005426 /nfs/dbraw/zinc/00/54/26/445005426.db2.gz MRMIDQKLNPYRBL-LZWOXQAQSA-N 1 1 336.388 1.965 20 5 EDBDMO COc1ccc(NC(=O)CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000330600922 445055181 /nfs/dbraw/zinc/05/51/81/445055181.db2.gz VMIADCSPWRSWTH-NWDGAFQWSA-N 1 1 336.392 1.566 20 5 EDBDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000341968024 445100444 /nfs/dbraw/zinc/10/04/44/445100444.db2.gz OFJMTLHZTGXAHL-GFCCVEGCSA-N 1 1 329.422 1.994 20 5 EDBDMO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C(N)=O ZINC000346590655 445219195 /nfs/dbraw/zinc/21/91/95/445219195.db2.gz QXERHDKVWVBCDH-SMDDNHRTSA-N 1 1 344.371 1.846 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347430334 445237897 /nfs/dbraw/zinc/23/78/97/445237897.db2.gz NTWYEEJJLFTMEA-CYBMUJFWSA-N 1 1 345.403 2.307 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000354503940 445267212 /nfs/dbraw/zinc/26/72/12/445267212.db2.gz VXVGJBMFMBDUCQ-NSHDSACASA-N 1 1 343.405 1.318 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000354503940 445267216 /nfs/dbraw/zinc/26/72/16/445267216.db2.gz VXVGJBMFMBDUCQ-NSHDSACASA-N 1 1 343.405 1.318 20 5 EDBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000348271359 445334440 /nfs/dbraw/zinc/33/44/40/445334440.db2.gz ILUFUULOGCTMIA-OAHLLOKOSA-N 1 1 339.417 1.593 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000362435744 445380253 /nfs/dbraw/zinc/38/02/53/445380253.db2.gz XAQKDTOHYFRMDV-GHMZBOCLSA-N 1 1 339.779 1.841 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362719792 445517021 /nfs/dbraw/zinc/51/70/21/445517021.db2.gz OMNGHCDHYDPSIZ-GOEBONIOSA-N 1 1 349.387 1.343 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362719792 445517027 /nfs/dbraw/zinc/51/70/27/445517027.db2.gz OMNGHCDHYDPSIZ-GOEBONIOSA-N 1 1 349.387 1.343 20 5 EDBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H](CN)C1CC1 ZINC000359998892 445521164 /nfs/dbraw/zinc/52/11/64/445521164.db2.gz FSKPWMYDXWNRCN-CQSZACIVSA-N 1 1 334.376 1.562 20 5 EDBDMO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H](C[NH3+])C1CC1 ZINC000359998892 445521167 /nfs/dbraw/zinc/52/11/67/445521167.db2.gz FSKPWMYDXWNRCN-CQSZACIVSA-N 1 1 334.376 1.562 20 5 EDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362769015 445541159 /nfs/dbraw/zinc/54/11/59/445541159.db2.gz IWKIXMPCVSUZOB-JTQLQIEISA-N 1 1 327.331 1.968 20 5 EDBDMO O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000356050682 445590789 /nfs/dbraw/zinc/59/07/89/445590789.db2.gz XYMIGHMMTVIWLS-HNNXBMFYSA-N 1 1 344.371 1.072 20 5 EDBDMO O=C1[C@H]([N@@H+]2CCC[C@@H](OCCO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360284801 445676502 /nfs/dbraw/zinc/67/65/02/445676502.db2.gz HHXZQBVHOJNQCD-HZPDHXFCSA-N 1 1 349.387 1.173 20 5 EDBDMO O=C1[C@H]([N@H+]2CCC[C@@H](OCCO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360284801 445676508 /nfs/dbraw/zinc/67/65/08/445676508.db2.gz HHXZQBVHOJNQCD-HZPDHXFCSA-N 1 1 349.387 1.173 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000349782588 445676943 /nfs/dbraw/zinc/67/69/43/445676943.db2.gz ZJPUOPCQLOFYSY-LBPRGKRZSA-N 1 1 329.422 1.910 20 5 EDBDMO Cc1ccnc(N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000363138631 445692699 /nfs/dbraw/zinc/69/26/99/445692699.db2.gz AZTBUKGESNDPME-UHFFFAOYSA-N 1 1 349.435 1.725 20 5 EDBDMO Cc1ccnc(N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000363138631 445692702 /nfs/dbraw/zinc/69/27/02/445692702.db2.gz AZTBUKGESNDPME-UHFFFAOYSA-N 1 1 349.435 1.725 20 5 EDBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000349964675 445735563 /nfs/dbraw/zinc/73/55/63/445735563.db2.gz KEMUUZWSQXPVFB-CQSZACIVSA-N 1 1 327.406 1.417 20 5 EDBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000349964675 445735565 /nfs/dbraw/zinc/73/55/65/445735565.db2.gz KEMUUZWSQXPVFB-CQSZACIVSA-N 1 1 327.406 1.417 20 5 EDBDMO COC(=O)COc1ccc(CNCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000353762905 445743238 /nfs/dbraw/zinc/74/32/38/445743238.db2.gz WREBINOIKULWPM-UHFFFAOYSA-N 1 1 339.392 1.576 20 5 EDBDMO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000361553982 445816451 /nfs/dbraw/zinc/81/64/51/445816451.db2.gz DHQMMWSRNBMJFY-SJORKVTESA-N 1 1 331.416 1.988 20 5 EDBDMO COc1cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c([N+](=O)[O-])cc1F ZINC000361588658 445836514 /nfs/dbraw/zinc/83/65/14/445836514.db2.gz SHPAALUQHZOVMB-GXFFZTMASA-N 1 1 328.340 1.714 20 5 EDBDMO COc1cc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c([N+](=O)[O-])cc1F ZINC000361588658 445836517 /nfs/dbraw/zinc/83/65/17/445836517.db2.gz SHPAALUQHZOVMB-GXFFZTMASA-N 1 1 328.340 1.714 20 5 EDBDMO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356543190 445850424 /nfs/dbraw/zinc/85/04/24/445850424.db2.gz BNGFRXMSFPSLGH-UHFFFAOYSA-N 1 1 349.387 1.675 20 5 EDBDMO O=C1N[C@H](Cc2cnc[nH]2)C(=O)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000359020683 445892274 /nfs/dbraw/zinc/89/22/74/445892274.db2.gz YIMIXWSSEZGJDR-CYBMUJFWSA-N 1 1 329.316 1.024 20 5 EDBDMO Cc1ccnc(N2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000361832117 445988986 /nfs/dbraw/zinc/98/89/86/445988986.db2.gz ZRASEGOCBDZQBW-OAHLLOKOSA-N 1 1 333.436 1.762 20 5 EDBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000356769683 446000372 /nfs/dbraw/zinc/00/03/72/446000372.db2.gz KMHWFETVZODWBR-LBPRGKRZSA-N 1 1 346.391 1.634 20 5 EDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000356855540 446073479 /nfs/dbraw/zinc/07/34/79/446073479.db2.gz QDSVIIHEZLJKCG-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000356855540 446073482 /nfs/dbraw/zinc/07/34/82/446073482.db2.gz QDSVIIHEZLJKCG-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000366230642 446095718 /nfs/dbraw/zinc/09/57/18/446095718.db2.gz RTSYFZDCZVBVOD-CQSZACIVSA-N 1 1 325.390 1.311 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000373207623 446096129 /nfs/dbraw/zinc/09/61/29/446096129.db2.gz XVGCQTGXABPOPW-KRWDZBQOSA-N 1 1 347.346 1.489 20 5 EDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000356896947 446105426 /nfs/dbraw/zinc/10/54/26/446105426.db2.gz ZLBQYINVQWRWSE-STQMWFEESA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000356896947 446105431 /nfs/dbraw/zinc/10/54/31/446105431.db2.gz ZLBQYINVQWRWSE-STQMWFEESA-N 1 1 343.387 1.945 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000362018587 446157486 /nfs/dbraw/zinc/15/74/86/446157486.db2.gz BWAHVVWHFJGDJT-GXTWGEPZSA-N 1 1 339.417 1.618 20 5 EDBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000365594808 446266252 /nfs/dbraw/zinc/26/62/52/446266252.db2.gz JXKSRBSDJLMKIX-CZUORRHYSA-N 1 1 333.388 1.459 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)n1 ZINC000365840944 446365947 /nfs/dbraw/zinc/36/59/47/446365947.db2.gz OIVWFENGVUIDIE-UHFFFAOYSA-N 1 1 330.270 1.592 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000376330067 446432414 /nfs/dbraw/zinc/43/24/14/446432414.db2.gz BHTCXYFDKWOPIL-CHWSQXEVSA-N 1 1 344.375 1.769 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000376330067 446432420 /nfs/dbraw/zinc/43/24/20/446432420.db2.gz BHTCXYFDKWOPIL-CHWSQXEVSA-N 1 1 344.375 1.769 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[NH2+]CC1(F)F ZINC000420271483 446443165 /nfs/dbraw/zinc/44/31/65/446443165.db2.gz CRHMSQAHPOCKKU-VIFPVBQESA-N 1 1 328.319 1.611 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367392183 446541304 /nfs/dbraw/zinc/54/13/04/446541304.db2.gz MVGGPQMDJHNYQT-SNVBAGLBSA-N 1 1 330.247 1.182 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000411439480 446544015 /nfs/dbraw/zinc/54/40/15/446544015.db2.gz MSHPPNMJOJTHAB-VXGBXAGGSA-N 1 1 334.376 1.393 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000411439480 446544020 /nfs/dbraw/zinc/54/40/20/446544020.db2.gz MSHPPNMJOJTHAB-VXGBXAGGSA-N 1 1 334.376 1.393 20 5 EDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc2n1CCOC2 ZINC000616488214 450434142 /nfs/dbraw/zinc/43/41/42/450434142.db2.gz DDOORNIWXPFQKD-GHXNOFRVSA-N 1 1 329.360 1.910 20 5 EDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420630146 446710113 /nfs/dbraw/zinc/71/01/13/446710113.db2.gz DKRWCXXPOGXNLR-INIZCTEOSA-N 1 1 348.447 1.957 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)n1 ZINC000376803527 446728909 /nfs/dbraw/zinc/72/89/09/446728909.db2.gz GYKIMJHUYDQOPY-DOMZBBRYSA-N 1 1 347.350 1.643 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)n1 ZINC000376803527 446728916 /nfs/dbraw/zinc/72/89/16/446728916.db2.gz GYKIMJHUYDQOPY-DOMZBBRYSA-N 1 1 347.350 1.643 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)n1 ZINC000376803528 446729601 /nfs/dbraw/zinc/72/96/01/446729601.db2.gz GYKIMJHUYDQOPY-IUODEOHRSA-N 1 1 347.350 1.643 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)n1 ZINC000376803528 446729603 /nfs/dbraw/zinc/72/96/03/446729603.db2.gz GYKIMJHUYDQOPY-IUODEOHRSA-N 1 1 347.350 1.643 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411941541 446750653 /nfs/dbraw/zinc/75/06/53/446750653.db2.gz LQDUHZJRHMWLKG-OLZOCXBDSA-N 1 1 348.403 1.640 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000371321388 446773638 /nfs/dbraw/zinc/77/36/38/446773638.db2.gz PZBCHPBQHNCVON-LBPRGKRZSA-N 1 1 347.419 1.665 20 5 EDBDMO COc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000420782455 446817165 /nfs/dbraw/zinc/81/71/65/446817165.db2.gz QVVXKIPGLGVMEX-CYBMUJFWSA-N 1 1 336.392 1.839 20 5 EDBDMO CCC[N@H+]1CC[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000439109968 446807837 /nfs/dbraw/zinc/80/78/37/446807837.db2.gz SRIXKHGYTICDOX-NSHDSACASA-N 1 1 331.376 2.387 20 5 EDBDMO COc1ccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000377480320 447151918 /nfs/dbraw/zinc/15/19/18/447151918.db2.gz CHNPVBWUQNAXOS-OLZOCXBDSA-N 1 1 335.360 1.196 20 5 EDBDMO CC(C)(C)N1CC[C@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000425410984 447152163 /nfs/dbraw/zinc/15/21/63/447152163.db2.gz CIAOJELSIYICIP-OCCSQVGLSA-N 1 1 347.419 1.875 20 5 EDBDMO CC(C)(C)N1CC[C@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000425410984 447152168 /nfs/dbraw/zinc/15/21/68/447152168.db2.gz CIAOJELSIYICIP-OCCSQVGLSA-N 1 1 347.419 1.875 20 5 EDBDMO C[N@H+]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000375889985 447125449 /nfs/dbraw/zinc/12/54/49/447125449.db2.gz JTLDRZMDSOXROF-CVEARBPZSA-N 1 1 343.387 1.395 20 5 EDBDMO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H]1C ZINC000413427273 447176923 /nfs/dbraw/zinc/17/69/23/447176923.db2.gz MKLACJWWTDFYKE-NSHDSACASA-N 1 1 326.372 1.863 20 5 EDBDMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H]1C ZINC000413427273 447176927 /nfs/dbraw/zinc/17/69/27/447176927.db2.gz MKLACJWWTDFYKE-NSHDSACASA-N 1 1 326.372 1.863 20 5 EDBDMO O=C(CC[N@H+]1CC[C@@H](n2cncn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000368882332 447177125 /nfs/dbraw/zinc/17/71/25/447177125.db2.gz NGWYPYBXSPKAOD-GFCCVEGCSA-N 1 1 348.338 1.601 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425499504 447195156 /nfs/dbraw/zinc/19/51/56/447195156.db2.gz JGMYRRVCJKSWHY-DOMZBBRYSA-N 1 1 344.375 1.850 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425499504 447195161 /nfs/dbraw/zinc/19/51/61/447195161.db2.gz JGMYRRVCJKSWHY-DOMZBBRYSA-N 1 1 344.375 1.850 20 5 EDBDMO Cc1cc(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c(N)c([N+](=O)[O-])c1 ZINC000372722812 447247009 /nfs/dbraw/zinc/24/70/09/447247009.db2.gz ZRGOVLGLQHSGPQ-GFCCVEGCSA-N 1 1 336.392 1.014 20 5 EDBDMO O=C(CC[N@H+]1CC[C@@H](c2nnc[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000425545522 447224317 /nfs/dbraw/zinc/22/43/17/447224317.db2.gz JWOZPQQMIAANQN-LLVKDONJSA-N 1 1 330.348 1.531 20 5 EDBDMO CC[N@H+]1CC[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000413818748 447257507 /nfs/dbraw/zinc/25/75/07/447257507.db2.gz PDNIAHYDXPJDHI-AWEZNQCLSA-N 1 1 347.419 1.521 20 5 EDBDMO O=C1CC[C@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1 ZINC000450561601 447526912 /nfs/dbraw/zinc/52/69/12/447526912.db2.gz GBOOJXHRAKZGNK-QWHCGFSZSA-N 1 1 333.392 1.392 20 5 EDBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000416493105 447624783 /nfs/dbraw/zinc/62/47/83/447624783.db2.gz CNVAXSZVOOZWTK-VIFPVBQESA-N 1 1 333.797 1.478 20 5 EDBDMO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000496605957 447831728 /nfs/dbraw/zinc/83/17/28/447831728.db2.gz IXEWEZSJBWXDLV-CYBMUJFWSA-N 1 1 337.380 1.534 20 5 EDBDMO C[C@](O)(CNc1c2ccccc2ncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000488082440 447841821 /nfs/dbraw/zinc/84/18/21/447841821.db2.gz OGRUPWRYMDACJC-KRWDZBQOSA-N 1 1 346.387 1.060 20 5 EDBDMO C[NH+]1CCN(CCCCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000524341661 447926735 /nfs/dbraw/zinc/92/67/35/447926735.db2.gz PSMMETTYRKTQPN-UHFFFAOYSA-N 1 1 349.435 1.422 20 5 EDBDMO CC(C)(C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000570460179 448019832 /nfs/dbraw/zinc/01/98/32/448019832.db2.gz OEDHMRVBCWZGMA-UHFFFAOYSA-N 1 1 343.387 1.944 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000531141039 448026319 /nfs/dbraw/zinc/02/63/19/448026319.db2.gz OTMPGDQNWWAIIV-LLVKDONJSA-N 1 1 342.421 1.020 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000531481258 448090647 /nfs/dbraw/zinc/09/06/47/448090647.db2.gz ZMLRVBQRIWSISM-CHWSQXEVSA-N 1 1 348.403 1.898 20 5 EDBDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000576839548 448153607 /nfs/dbraw/zinc/15/36/07/448153607.db2.gz LRZQKZDDXTVFCY-NSHDSACASA-N 1 1 334.376 1.300 20 5 EDBDMO Cn1cc(C[NH2+]C[C@@H]2C[C@H](F)CN2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591281634 448305176 /nfs/dbraw/zinc/30/51/76/448305176.db2.gz GZJYZKIGSUOKIF-KBPBESRZSA-N 1 1 333.367 1.785 20 5 EDBDMO CNc1nccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000584182187 448474153 /nfs/dbraw/zinc/47/41/53/448474153.db2.gz TVWLIWGFRMRPBZ-ZDUSSCGKSA-N 1 1 347.419 1.835 20 5 EDBDMO O=C([C@H]1CCC[N@H+]1C1CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000584446086 448527797 /nfs/dbraw/zinc/52/77/97/448527797.db2.gz PQKOIXUEHGSJNJ-OAHLLOKOSA-N 1 1 345.403 1.265 20 5 EDBDMO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000592206081 448743728 /nfs/dbraw/zinc/74/37/28/448743728.db2.gz LWMOQLCXFSETRT-CHWSQXEVSA-N 1 1 338.360 1.349 20 5 EDBDMO CCOc1cc(C[N@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000592206081 448743732 /nfs/dbraw/zinc/74/37/32/448743732.db2.gz LWMOQLCXFSETRT-CHWSQXEVSA-N 1 1 338.360 1.349 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000520424823 448898166 /nfs/dbraw/zinc/89/81/66/448898166.db2.gz CJJLSYBBIDVFNL-MRXNPFEDSA-N 1 1 335.404 1.900 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000520424823 448898170 /nfs/dbraw/zinc/89/81/70/448898170.db2.gz CJJLSYBBIDVFNL-MRXNPFEDSA-N 1 1 335.404 1.900 20 5 EDBDMO O=C(CC[NH2+][C@H]1CCc2[nH]cnc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000574513550 448889936 /nfs/dbraw/zinc/88/99/36/448889936.db2.gz UBEHVXXNSXYLBQ-NSHDSACASA-N 1 1 329.360 1.794 20 5 EDBDMO Cc1c(CC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588861934 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C[N@H+]1C[C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)[C@@H]2C1 ZINC000590767505 449287402 /nfs/dbraw/zinc/28/74/02/449287402.db2.gz GJVRWCSLSOSRNC-MLGOLLRUSA-N 1 1 341.371 1.761 20 5 EDBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598194781 449290802 /nfs/dbraw/zinc/29/08/02/449290802.db2.gz IHKGZAWCVGUSTQ-AWEZNQCLSA-N 1 1 343.387 1.707 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])n1C ZINC000593467240 449298903 /nfs/dbraw/zinc/29/89/03/449298903.db2.gz IWAUTUPSRDCPEF-UHFFFAOYSA-N 1 1 335.339 1.392 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)[C@@H]2C1 ZINC000611521637 449318220 /nfs/dbraw/zinc/31/82/20/449318220.db2.gz ONLFYBBETAFGPD-IUODEOHRSA-N 1 1 333.388 1.892 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000593557749 449347591 /nfs/dbraw/zinc/34/75/91/449347591.db2.gz QBAYUVIULKGONZ-NWDGAFQWSA-N 1 1 342.421 1.483 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000598341910 449356384 /nfs/dbraw/zinc/35/63/84/449356384.db2.gz IBMBZSLQKSGCRS-AWEZNQCLSA-N 1 1 343.387 1.995 20 5 EDBDMO Cc1cc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])s1 ZINC000596175924 449397052 /nfs/dbraw/zinc/39/70/52/449397052.db2.gz XCIBSKZENIJMHK-LBPRGKRZSA-N 1 1 338.433 1.883 20 5 EDBDMO Cc1cc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000598452866 449402099 /nfs/dbraw/zinc/40/20/99/449402099.db2.gz NBMHRMLAZKFPIB-OAHLLOKOSA-N 1 1 333.388 1.574 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000611814648 449433050 /nfs/dbraw/zinc/43/30/50/449433050.db2.gz YYNXYKLJQMDZKU-UHFFFAOYSA-N 1 1 335.433 1.979 20 5 EDBDMO Cc1nn(CCC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(C)c1[N+](=O)[O-] ZINC000594199446 449388440 /nfs/dbraw/zinc/38/84/40/449388440.db2.gz ZPPGJTJYUOGCGQ-LSDHHAIUSA-N 1 1 349.435 1.931 20 5 EDBDMO C[C@@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000594211499 449391064 /nfs/dbraw/zinc/39/10/64/449391064.db2.gz DHKHIUFGJGTYFA-BYCMXARLSA-N 1 1 334.376 1.116 20 5 EDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000594345206 449459678 /nfs/dbraw/zinc/45/96/78/449459678.db2.gz WVVKECLASAYVJV-UHFFFAOYSA-N 1 1 333.323 1.348 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598613405 449494483 /nfs/dbraw/zinc/49/44/83/449494483.db2.gz XDYPVFQOFJRHBC-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598613405 449494489 /nfs/dbraw/zinc/49/44/89/449494489.db2.gz XDYPVFQOFJRHBC-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]([NH+]4CCOCC4)C3)nc2c1 ZINC000596248451 449438357 /nfs/dbraw/zinc/43/83/57/449438357.db2.gz XOVMPXXAYNTMLK-ZDUSSCGKSA-N 1 1 331.376 1.772 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000596426503 449496755 /nfs/dbraw/zinc/49/67/55/449496755.db2.gz BBIHYPYZUQHAGY-NEPJUHHUSA-N 1 1 336.392 1.476 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000596426503 449496758 /nfs/dbraw/zinc/49/67/58/449496758.db2.gz BBIHYPYZUQHAGY-NEPJUHHUSA-N 1 1 336.392 1.476 20 5 EDBDMO CC(C)Oc1nc(N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000594565674 449576810 /nfs/dbraw/zinc/57/68/10/449576810.db2.gz MTVCHZZOIRATOH-CYBMUJFWSA-N 1 1 336.392 1.688 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000596880794 449702888 /nfs/dbraw/zinc/70/28/88/449702888.db2.gz HTYUTFRPJMSPGX-ZDUSSCGKSA-N 1 1 348.403 1.852 20 5 EDBDMO CC[NH+]1CCN(CCCNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602590209 449690471 /nfs/dbraw/zinc/69/04/71/449690471.db2.gz CLWFKCVBCAOKGN-UHFFFAOYSA-N 1 1 347.419 1.853 20 5 EDBDMO COC(=O)[C@@](C)(NCc1c[nH+]c(C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000602737079 449775921 /nfs/dbraw/zinc/77/59/21/449775921.db2.gz SXELZWXLYQGLRE-INIZCTEOSA-N 1 1 332.360 1.815 20 5 EDBDMO 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ZINC000601343318 449852584 /nfs/dbraw/zinc/85/25/84/449852584.db2.gz MPYYXTDTUZAITO-PHIMTYICSA-N 1 1 343.380 1.557 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000595195093 449937053 /nfs/dbraw/zinc/93/70/53/449937053.db2.gz ZBJDMJAIYXPJHD-CYBMUJFWSA-N 1 1 348.403 1.751 20 5 EDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC000602953600 449955615 /nfs/dbraw/zinc/95/56/15/449955615.db2.gz BHNREBVMGVTUCK-CYBMUJFWSA-N 1 1 335.408 1.916 20 5 EDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608960013 449953361 /nfs/dbraw/zinc/95/33/61/449953361.db2.gz UCSPKSYJOCILNL-NWDGAFQWSA-N 1 1 347.371 1.723 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000599413006 449957924 /nfs/dbraw/zinc/95/79/24/449957924.db2.gz RETLWGPMIFRVBF-CYBMUJFWSA-N 1 1 341.433 1.913 20 5 EDBDMO CC(C)[N@@H+](C)C[C@H](O)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962809 449964551 /nfs/dbraw/zinc/96/45/51/449964551.db2.gz PCWCMIWQJTVBIM-HZPDHXFCSA-N 1 1 325.409 1.093 20 5 EDBDMO COc1ccc(OCC[N@@H+]2C[C@H](OC)C[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000602964006 449966114 /nfs/dbraw/zinc/96/61/14/449966114.db2.gz LTIZFPBXMGJDDU-CZUORRHYSA-N 1 1 340.376 1.454 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609387939 450022884 /nfs/dbraw/zinc/02/28/84/450022884.db2.gz PSMZGWQSVSWOHO-ZDUSSCGKSA-N 1 1 339.417 1.666 20 5 EDBDMO CC1(C)[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000603110644 450073671 /nfs/dbraw/zinc/07/36/71/450073671.db2.gz NNGCFXNHZYHCPN-VXGBXAGGSA-N 1 1 339.417 1.885 20 5 EDBDMO CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599641064 450122461 /nfs/dbraw/zinc/12/24/61/450122461.db2.gz ZEGDVRAACGHOLX-SUMWQHHRSA-N 1 1 333.388 1.652 20 5 EDBDMO C[N@@H+](Cc1cn(CCn2ccc([N+](=O)[O-])n2)nn1)C1CCCCC1 ZINC000603217941 450151283 /nfs/dbraw/zinc/15/12/83/450151283.db2.gz FJZMNMJVFFBPTA-UHFFFAOYSA-N 1 1 333.396 1.848 20 5 EDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000610237991 450157957 /nfs/dbraw/zinc/15/79/57/450157957.db2.gz QHJOPZOJPCJNOI-MRXNPFEDSA-N 1 1 333.388 1.461 20 5 EDBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000599694767 450159035 /nfs/dbraw/zinc/15/90/35/450159035.db2.gz URWHLFXRSCQORK-ZDUSSCGKSA-N 1 1 327.406 1.356 20 5 EDBDMO COc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000597693129 450200758 /nfs/dbraw/zinc/20/07/58/450200758.db2.gz BHAWDWUDVCPVKZ-DZGCQCFKSA-N 1 1 349.387 1.539 20 5 EDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601779382 450234837 /nfs/dbraw/zinc/23/48/37/450234837.db2.gz QXZMLKBMMZWFEZ-IIYDPXPESA-N 1 1 335.404 1.791 20 5 EDBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000619481597 450485511 /nfs/dbraw/zinc/48/55/11/450485511.db2.gz KNJLJDOJCPDZQF-JTQLQIEISA-N 1 1 343.405 1.364 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000425541497 486882437 /nfs/dbraw/zinc/88/24/37/486882437.db2.gz FZYBOAHOTMRARB-VXGBXAGGSA-N 1 1 344.375 1.838 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000425541497 486882444 /nfs/dbraw/zinc/88/24/44/486882444.db2.gz FZYBOAHOTMRARB-VXGBXAGGSA-N 1 1 344.375 1.838 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000075498023 518201038 /nfs/dbraw/zinc/20/10/38/518201038.db2.gz CPLKKJJGJXUNBY-ZDUSSCGKSA-N 1 1 334.376 1.781 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000187349808 528538280 /nfs/dbraw/zinc/53/82/80/528538280.db2.gz XIKJOPGPDIYWFG-CYBMUJFWSA-N 1 1 338.408 1.578 20 5 EDBDMO C[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000725779560 578281249 /nfs/dbraw/zinc/28/12/49/578281249.db2.gz OUDMKQYVDHZDON-BDJLRTHQSA-N 1 1 332.360 1.661 20 5 EDBDMO C[C@@H]1CC[N@@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000725779560 578281250 /nfs/dbraw/zinc/28/12/50/578281250.db2.gz OUDMKQYVDHZDON-BDJLRTHQSA-N 1 1 332.360 1.661 20 5 EDBDMO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729498504 578577086 /nfs/dbraw/zinc/57/70/86/578577086.db2.gz OXJSHFYRDFSRNW-CABCVRRESA-N 1 1 334.376 1.257 20 5 EDBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000731184748 578670343 /nfs/dbraw/zinc/67/03/43/578670343.db2.gz LZXBWCWLHLUBJP-GFCCVEGCSA-N 1 1 343.387 1.545 20 5 EDBDMO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732034707 578687815 /nfs/dbraw/zinc/68/78/15/578687815.db2.gz GOFXYPQFNNEBMR-LBPRGKRZSA-N 1 1 337.351 1.808 20 5 EDBDMO COCC[N@@H+]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000735241399 578871151 /nfs/dbraw/zinc/87/11/51/578871151.db2.gz INRORJPMDOVGTH-GFCCVEGCSA-N 1 1 338.433 1.944 20 5 EDBDMO COCC[N@H+]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000735241399 578871152 /nfs/dbraw/zinc/87/11/52/578871152.db2.gz INRORJPMDOVGTH-GFCCVEGCSA-N 1 1 338.433 1.944 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)[C@H](C)C1 ZINC000761066799 580045984 /nfs/dbraw/zinc/04/59/84/580045984.db2.gz BZZZRBIDBQKYKP-GFCCVEGCSA-N 1 1 336.392 1.568 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761066799 580045985 /nfs/dbraw/zinc/04/59/85/580045985.db2.gz BZZZRBIDBQKYKP-GFCCVEGCSA-N 1 1 336.392 1.568 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)[C@H](C)C1 ZINC000761066799 580045986 /nfs/dbraw/zinc/04/59/86/580045986.db2.gz BZZZRBIDBQKYKP-GFCCVEGCSA-N 1 1 336.392 1.568 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)[C@@H](C)C1 ZINC000761066800 580045989 /nfs/dbraw/zinc/04/59/89/580045989.db2.gz BZZZRBIDBQKYKP-LBPRGKRZSA-N 1 1 336.392 1.568 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761066800 580045990 /nfs/dbraw/zinc/04/59/90/580045990.db2.gz BZZZRBIDBQKYKP-LBPRGKRZSA-N 1 1 336.392 1.568 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761066800 580045991 /nfs/dbraw/zinc/04/59/91/580045991.db2.gz BZZZRBIDBQKYKP-LBPRGKRZSA-N 1 1 336.392 1.568 20 5 EDBDMO C[N@H+](Cc1cccc(C(N)=O)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750041854 579749561 /nfs/dbraw/zinc/74/95/61/579749561.db2.gz XLCXXLVWFCCDBM-MRXNPFEDSA-N 1 1 329.356 1.859 20 5 EDBDMO Nc1c(C(=O)OCCC[NH+]2CCOCC2)cc(F)cc1[N+](=O)[O-] ZINC000750879951 579785470 /nfs/dbraw/zinc/78/54/70/579785470.db2.gz IATWOUFPAPNGCT-UHFFFAOYSA-N 1 1 327.312 1.195 20 5 EDBDMO COC[C@@H]1CCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000751950570 579830015 /nfs/dbraw/zinc/83/00/15/579830015.db2.gz QCTMHFVLYOYDPL-AWEZNQCLSA-N 1 1 348.359 1.432 20 5 EDBDMO COC[C@@H]1CCC[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000751950570 579830017 /nfs/dbraw/zinc/83/00/17/579830017.db2.gz QCTMHFVLYOYDPL-AWEZNQCLSA-N 1 1 348.359 1.432 20 5 EDBDMO C[N@H+](CC(=O)OCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000767109197 580181805 /nfs/dbraw/zinc/18/18/05/580181805.db2.gz DVJZYXPUQOATIT-ZDUSSCGKSA-N 1 1 340.401 1.954 20 5 EDBDMO C[N@@H+](CC(=O)OCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000767109197 580181806 /nfs/dbraw/zinc/18/18/06/580181806.db2.gz DVJZYXPUQOATIT-ZDUSSCGKSA-N 1 1 340.401 1.954 20 5 EDBDMO Cc1c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000769144912 580229964 /nfs/dbraw/zinc/22/99/64/580229964.db2.gz KINDZSFKCBUBHO-ZJUUUORDSA-N 1 1 336.348 1.976 20 5 EDBDMO Cc1c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000769144912 580229965 /nfs/dbraw/zinc/22/99/65/580229965.db2.gz KINDZSFKCBUBHO-ZJUUUORDSA-N 1 1 336.348 1.976 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584314 580422294 /nfs/dbraw/zinc/42/22/94/580422294.db2.gz LCDKLFPYMPURIM-QGZVFWFLSA-N 1 1 337.420 1.407 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@H](n3cncn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000776777427 580428953 /nfs/dbraw/zinc/42/89/53/580428953.db2.gz VTAHSRAMZRWDBV-NSHDSACASA-N 1 1 328.336 1.144 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@H](n3cncn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000776777427 580428954 /nfs/dbraw/zinc/42/89/54/580428954.db2.gz VTAHSRAMZRWDBV-NSHDSACASA-N 1 1 328.336 1.144 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C)cc1C ZINC000780867545 580535969 /nfs/dbraw/zinc/53/59/69/580535969.db2.gz MYVUTDRFLFFZDR-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO O=C1COc2cc([N+](=O)[O-])c(NCC[N@H+]3CCCOCC3)cc2N1 ZINC000782417739 580574611 /nfs/dbraw/zinc/57/46/11/580574611.db2.gz GWBZCRAMDWQJPI-UHFFFAOYSA-N 1 1 336.348 1.060 20 5 EDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000787105488 580687546 /nfs/dbraw/zinc/68/75/46/580687546.db2.gz MISVBAWUKJXECU-ZDUSSCGKSA-N 1 1 332.404 1.981 20 5 EDBDMO CNc1c(C(=O)OC[C@H]2C[N@H+](C(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000793206360 580838576 /nfs/dbraw/zinc/83/85/76/580838576.db2.gz VPPIXYXFDPWPEX-GFCCVEGCSA-N 1 1 337.376 1.903 20 5 EDBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000795691046 580934054 /nfs/dbraw/zinc/93/40/54/580934054.db2.gz LGXSETXERWMZLD-BBRMVZONSA-N 1 1 345.403 1.697 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888986739 590958781 /nfs/dbraw/zinc/95/87/81/590958781.db2.gz RVDCXAYGEYUPNC-CCEZHUSRSA-N 1 1 346.431 1.704 20 5 EDBDMO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1(F)F ZINC000894237764 591240555 /nfs/dbraw/zinc/24/05/55/591240555.db2.gz NOHOMXOGMIQEDD-PWSUYJOCSA-N 1 1 330.287 1.747 20 5 EDBDMO CCc1nn(C)c(N2CC[NH+](CCc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000894844267 591439909 /nfs/dbraw/zinc/43/99/09/591439909.db2.gz YCESXAPUIPKARB-UHFFFAOYSA-N 1 1 344.419 1.650 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1C ZINC000896502658 591482781 /nfs/dbraw/zinc/48/27/81/591482781.db2.gz SKZWKHKBEDWFAP-LBPRGKRZSA-N 1 1 335.404 1.910 20 5 EDBDMO COc1cc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])cc1C ZINC000897218485 591773258 /nfs/dbraw/zinc/77/32/58/591773258.db2.gz DFZUVDOSCOEWCZ-ZIAGYGMSSA-N 1 1 335.404 1.947 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000899946017 591834495 /nfs/dbraw/zinc/83/44/95/591834495.db2.gz ZEYDNGPUFISLEA-OAHLLOKOSA-N 1 1 343.387 1.664 20 5 EDBDMO C[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000901140756 592256663 /nfs/dbraw/zinc/25/66/63/592256663.db2.gz NMJFDWRTGNRAPV-PELKAZGASA-N 1 1 345.758 1.836 20 5 EDBDMO C[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000901140756 592256665 /nfs/dbraw/zinc/25/66/65/592256665.db2.gz NMJFDWRTGNRAPV-PELKAZGASA-N 1 1 345.758 1.836 20 5 EDBDMO C[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000901140757 592256700 /nfs/dbraw/zinc/25/67/00/592256700.db2.gz NMJFDWRTGNRAPV-PRHODGIISA-N 1 1 345.758 1.836 20 5 EDBDMO C[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000901140757 592256704 /nfs/dbraw/zinc/25/67/04/592256704.db2.gz NMJFDWRTGNRAPV-PRHODGIISA-N 1 1 345.758 1.836 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000908573116 592544203 /nfs/dbraw/zinc/54/42/03/592544203.db2.gz GPVLWGGYMJGKKN-UHFFFAOYSA-N 1 1 349.435 1.967 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@H](C3OCCO3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000905695909 592626108 /nfs/dbraw/zinc/62/61/08/592626108.db2.gz KPMFPEKBQQTGEK-LLVKDONJSA-N 1 1 333.348 1.300 20 5 EDBDMO C[C@H]1C[N@H+](C)C[C@@H](C(=O)N2CCCCc3cc([N+](=O)[O-])ccc32)O1 ZINC000906030070 592721116 /nfs/dbraw/zinc/72/11/16/592721116.db2.gz CXMUEHRKIMOZNS-LRDDRELGSA-N 1 1 333.388 1.983 20 5 EDBDMO C[C@H]1C[N@@H+](C)C[C@@H](C(=O)N2CCCCc3cc([N+](=O)[O-])ccc32)O1 ZINC000906030070 592721118 /nfs/dbraw/zinc/72/11/18/592721118.db2.gz CXMUEHRKIMOZNS-LRDDRELGSA-N 1 1 333.388 1.983 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCCn2ccc([N+](=O)[O-])n2)C1 ZINC000811448057 593470831 /nfs/dbraw/zinc/47/08/31/593470831.db2.gz SHJCBXNWLMVTCO-AWEZNQCLSA-N 1 1 328.344 1.547 20 5 EDBDMO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817907227 593647574 /nfs/dbraw/zinc/64/75/74/593647574.db2.gz MSRIZSYTZKNVBA-CHWSQXEVSA-N 1 1 327.768 1.631 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)CNC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000819172358 593742666 /nfs/dbraw/zinc/74/26/66/593742666.db2.gz DKAFZWRPQDOOJG-FGTMMUONSA-N 1 1 349.431 1.596 20 5 EDBDMO C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000819265891 593747677 /nfs/dbraw/zinc/74/76/77/593747677.db2.gz UBQXCNDDRDKMBY-PBHICJAKSA-N 1 1 337.420 1.719 20 5 EDBDMO C[C@@H]1CN(CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000819265891 593747678 /nfs/dbraw/zinc/74/76/78/593747678.db2.gz UBQXCNDDRDKMBY-PBHICJAKSA-N 1 1 337.420 1.719 20 5 EDBDMO C[C@@H]1C[N@H+](CCCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000819265891 593747679 /nfs/dbraw/zinc/74/76/79/593747679.db2.gz UBQXCNDDRDKMBY-PBHICJAKSA-N 1 1 337.420 1.719 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000819265891 593747680 /nfs/dbraw/zinc/74/76/80/593747680.db2.gz UBQXCNDDRDKMBY-PBHICJAKSA-N 1 1 337.420 1.719 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625106 593885980 /nfs/dbraw/zinc/88/59/80/593885980.db2.gz FWMKIMYPCVTROE-SMDDNHRTSA-N 1 1 343.391 1.695 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000830310301 594373206 /nfs/dbraw/zinc/37/32/06/594373206.db2.gz NSZVEBQSHRULKW-UHFFFAOYSA-N 1 1 333.323 1.430 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841458398 594903753 /nfs/dbraw/zinc/90/37/53/594903753.db2.gz YVNXOIBCCXOKTI-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841458398 594903754 /nfs/dbraw/zinc/90/37/54/594903754.db2.gz 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O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000848484087 595392045 /nfs/dbraw/zinc/39/20/45/595392045.db2.gz FSVGFLJROFROMI-AWEZNQCLSA-N 1 1 339.359 1.954 20 5 EDBDMO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848583112 595408910 /nfs/dbraw/zinc/40/89/10/595408910.db2.gz VYNKIKYVXMSWCQ-JTQLQIEISA-N 1 1 341.314 1.919 20 5 EDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848583112 595408911 /nfs/dbraw/zinc/40/89/11/595408911.db2.gz VYNKIKYVXMSWCQ-JTQLQIEISA-N 1 1 341.314 1.919 20 5 EDBDMO CC[N@@H+](CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C(C)C ZINC000112928550 595571158 /nfs/dbraw/zinc/57/11/58/595571158.db2.gz JZYOKGQFXHFTBS-UHFFFAOYSA-N 1 1 337.376 1.633 20 5 EDBDMO O=C1CN(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000853575432 595811148 /nfs/dbraw/zinc/81/11/48/595811148.db2.gz FNKQFRMWBRDMEO-VXGBXAGGSA-N 1 1 330.344 1.663 20 5 EDBDMO O=C1CN(C[N@H+]2CC[C@@H]3C[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000853575432 595811152 /nfs/dbraw/zinc/81/11/52/595811152.db2.gz FNKQFRMWBRDMEO-VXGBXAGGSA-N 1 1 330.344 1.663 20 5 EDBDMO O=C1N(C[N@@H+]2CC[C@H]3COC[C@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000853588990 595817352 /nfs/dbraw/zinc/81/73/52/595817352.db2.gz HFONMZUQFHVLAN-UONOGXRCSA-N 1 1 346.387 1.763 20 5 EDBDMO O=C1N(C[N@H+]2CC[C@H]3COC[C@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000853588990 595817355 /nfs/dbraw/zinc/81/73/55/595817355.db2.gz HFONMZUQFHVLAN-UONOGXRCSA-N 1 1 346.387 1.763 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867815135 596566920 /nfs/dbraw/zinc/56/69/20/596566920.db2.gz XNTHYSJBQSIVRR-JSGCOSHPSA-N 1 1 339.417 1.618 20 5 EDBDMO O=[N+]([O-])c1cc(CO)c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1F ZINC000865484758 596587843 /nfs/dbraw/zinc/58/78/43/596587843.db2.gz IPUSCPLUPPKLCP-RYUDHWBXSA-N 1 1 325.340 1.501 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869779055 596631268 /nfs/dbraw/zinc/63/12/68/596631268.db2.gz SLYBINHDGTWKEN-VOMSXAGXSA-N 1 1 347.415 1.960 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869815857 596647424 /nfs/dbraw/zinc/64/74/24/596647424.db2.gz UFUSCMZMBFKHTR-UHFFFAOYSA-N 1 1 341.371 1.286 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000871764581 596688702 /nfs/dbraw/zinc/68/87/02/596688702.db2.gz IFRWCXDCUYAVKN-UONOGXRCSA-N 1 1 332.360 1.228 20 5 EDBDMO CC[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000125512424 596922260 /nfs/dbraw/zinc/92/22/60/596922260.db2.gz LCVYVUQKFRZKQK-HNNXBMFYSA-N 1 1 346.431 1.975 20 5 EDBDMO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872786522 597067259 /nfs/dbraw/zinc/06/72/59/597067259.db2.gz HVJFIFCFFGQLIJ-IJEWVQPXSA-N 1 1 331.372 1.446 20 5 EDBDMO COC(=O)[C@H]1CN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC[N@@H+](C)C1 ZINC000877587103 597539524 /nfs/dbraw/zinc/53/95/24/597539524.db2.gz DVYSFIQUROEHIS-CQSZACIVSA-N 1 1 335.404 1.748 20 5 EDBDMO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877587103 597539525 /nfs/dbraw/zinc/53/95/25/597539525.db2.gz DVYSFIQUROEHIS-CQSZACIVSA-N 1 1 335.404 1.748 20 5 EDBDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877587103 597539526 /nfs/dbraw/zinc/53/95/26/597539526.db2.gz DVYSFIQUROEHIS-CQSZACIVSA-N 1 1 335.404 1.748 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1cc(F)c[nH]1 ZINC001031855329 699979943 /nfs/dbraw/zinc/97/99/43/699979943.db2.gz FBRPQRIJRFLMSL-UHFFFAOYSA-N 1 1 332.335 1.924 20 5 EDBDMO COCC(=O)NC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000915680295 695971113 /nfs/dbraw/zinc/97/11/13/695971113.db2.gz HLCXCXGVWYFWOZ-UHFFFAOYSA-N 1 1 325.340 1.461 20 5 EDBDMO Cc1c(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)cnn1C ZINC001031550302 697235115 /nfs/dbraw/zinc/23/51/15/697235115.db2.gz SRCFURFZPHDBDR-UHFFFAOYSA-N 1 1 343.387 1.499 20 5 EDBDMO CC[N@H+]1[C@H](C)CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000919570456 697299112 /nfs/dbraw/zinc/29/91/12/697299112.db2.gz LTZOPNXYATYJAP-BETUJISGSA-N 1 1 341.433 1.839 20 5 EDBDMO CC[N@@H+]1[C@H](C)CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000919570456 697299114 /nfs/dbraw/zinc/29/91/14/697299114.db2.gz LTZOPNXYATYJAP-BETUJISGSA-N 1 1 341.433 1.839 20 5 EDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1cncnc1 ZINC001031626354 697361729 /nfs/dbraw/zinc/36/17/29/697361729.db2.gz DTMCVOUSKKOXOY-UHFFFAOYSA-N 1 1 327.344 1.247 20 5 EDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001005376262 708781388 /nfs/dbraw/zinc/78/13/88/708781388.db2.gz RMZSAIPQQQEQKX-HZPDHXFCSA-N 1 1 335.379 1.914 20 5 EDBDMO O=C(NC1CC[NH+](CCCC2CCOCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002787316 709393238 /nfs/dbraw/zinc/39/32/38/709393238.db2.gz IYOWSTZSAKCILJ-HZPDHXFCSA-N 1 1 339.436 1.439 20 5 EDBDMO COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1C ZINC001002787131 709393299 /nfs/dbraw/zinc/39/32/99/709393299.db2.gz FUFHIGODVPIOCH-HZPDHXFCSA-N 1 1 347.415 1.749 20 5 EDBDMO CC[C@]1(CO)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000187555163 529424630 /nfs/dbraw/zinc/42/46/30/529424630.db2.gz JYDWSRZHROOIQH-RDJZCZTQSA-N 1 1 338.404 1.819 20 5 EDBDMO CCc1ccc(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000184317145 529608142 /nfs/dbraw/zinc/60/81/42/529608142.db2.gz UAUNCGKJTKIXKL-CQSZACIVSA-N 1 1 348.447 1.913 20 5 EDBDMO CCc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000186978631 529598485 /nfs/dbraw/zinc/59/84/85/529598485.db2.gz IWOBSXGKQNKERH-CHWSQXEVSA-N 1 1 335.404 1.684 20 5 EDBDMO CCc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000186978631 529598488 /nfs/dbraw/zinc/59/84/88/529598488.db2.gz IWOBSXGKQNKERH-CHWSQXEVSA-N 1 1 335.404 1.684 20 5 EDBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000360869432 282746730 /nfs/dbraw/zinc/74/67/30/282746730.db2.gz CPQGWMUKVFCTBE-LBPRGKRZSA-N 1 1 343.387 1.886 20 5 EDBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181878399 234364589 /nfs/dbraw/zinc/36/45/89/234364589.db2.gz KVKGKRZYMWSLEG-UKRRQHHQSA-N 1 1 349.387 1.078 20 5 EDBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181878399 234364592 /nfs/dbraw/zinc/36/45/92/234364592.db2.gz KVKGKRZYMWSLEG-UKRRQHHQSA-N 1 1 349.387 1.078 20 5 EDBDMO COc1cc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])cc1F ZINC000563363186 306330038 /nfs/dbraw/zinc/33/00/38/306330038.db2.gz FHYJDQUOQJRDTI-LLVKDONJSA-N 1 1 325.340 1.795 20 5 EDBDMO COc1cc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])cc1F ZINC000563363186 306330039 /nfs/dbraw/zinc/33/00/39/306330039.db2.gz FHYJDQUOQJRDTI-LLVKDONJSA-N 1 1 325.340 1.795 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090461789 138278820 /nfs/dbraw/zinc/27/88/20/138278820.db2.gz RHXDJFQXMFHTTH-OCCSQVGLSA-N 1 1 334.376 1.281 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090461789 138278821 /nfs/dbraw/zinc/27/88/21/138278821.db2.gz RHXDJFQXMFHTTH-OCCSQVGLSA-N 1 1 334.376 1.281 20 5 EDBDMO COc1cc(OCC(=O)N2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000124658059 138328621 /nfs/dbraw/zinc/32/86/21/138328621.db2.gz QKNTZJGUUCVWJA-UHFFFAOYSA-N 1 1 335.360 1.289 20 5 EDBDMO Cc1sc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000124045752 138323411 /nfs/dbraw/zinc/32/34/11/138323411.db2.gz ILEWHBKZABGPSD-NSHDSACASA-N 1 1 347.462 1.927 20 5 EDBDMO Cc1cc(Sc2nnnn2C[C@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000131935232 138368328 /nfs/dbraw/zinc/36/83/28/138368328.db2.gz XIJDMCWXJCAMPX-JTQLQIEISA-N 1 1 335.393 1.388 20 5 EDBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000565224071 306379456 /nfs/dbraw/zinc/37/94/56/306379456.db2.gz ZMJNZQLAASCCOS-UHFFFAOYSA-N 1 1 326.372 1.934 20 5 EDBDMO COc1cccc([N+](=O)[O-])c1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000565489694 306385122 /nfs/dbraw/zinc/38/51/22/306385122.db2.gz BTYHALVNJZBZSI-AWEZNQCLSA-N 1 1 348.403 1.346 20 5 EDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049131512 201112589 /nfs/dbraw/zinc/11/25/89/201112589.db2.gz IVXKVBXDJODQMQ-ZDUSSCGKSA-N 1 1 348.403 1.914 20 5 EDBDMO CCNC(=O)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068371081 201163245 /nfs/dbraw/zinc/16/32/45/201163245.db2.gz ALOTWTLUUBPJBO-UHFFFAOYSA-N 1 1 349.391 1.271 20 5 EDBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000078592994 201188968 /nfs/dbraw/zinc/18/89/68/201188968.db2.gz LTVDDDZASDHKGM-UHFFFAOYSA-N 1 1 349.391 1.269 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CCNC(=O)[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000104063702 204094787 /nfs/dbraw/zinc/09/47/87/204094787.db2.gz ITHYXUXFQUSLIK-MRXNPFEDSA-N 1 1 348.403 1.688 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCNC(=O)[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000104063702 204094791 /nfs/dbraw/zinc/09/47/91/204094791.db2.gz ITHYXUXFQUSLIK-MRXNPFEDSA-N 1 1 348.403 1.688 20 5 EDBDMO CN1CC[NH+](CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000104211062 204101175 /nfs/dbraw/zinc/10/11/75/204101175.db2.gz IQPNSZDBXBQQPD-UHFFFAOYSA-N 1 1 345.403 1.443 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000111266100 204345634 /nfs/dbraw/zinc/34/56/34/204345634.db2.gz VQGLLDHQITXSSO-LBPRGKRZSA-N 1 1 345.359 1.603 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000111266100 204345638 /nfs/dbraw/zinc/34/56/38/204345638.db2.gz VQGLLDHQITXSSO-LBPRGKRZSA-N 1 1 345.359 1.603 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000126261039 205049154 /nfs/dbraw/zinc/04/91/54/205049154.db2.gz HQKIDQSJHUOGNR-CMPLNLGQSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000126261039 205049158 /nfs/dbraw/zinc/04/91/58/205049158.db2.gz HQKIDQSJHUOGNR-CMPLNLGQSA-N 1 1 339.417 1.807 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000130279342 205231153 /nfs/dbraw/zinc/23/11/53/205231153.db2.gz ONUBCDGPFMNRJV-OCCSQVGLSA-N 1 1 338.412 1.163 20 5 EDBDMO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000245441064 139074888 /nfs/dbraw/zinc/07/48/88/139074888.db2.gz HAJCXFZKWBVQCV-ZIAGYGMSSA-N 1 1 347.419 1.735 20 5 EDBDMO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000245441064 139074889 /nfs/dbraw/zinc/07/48/89/139074889.db2.gz HAJCXFZKWBVQCV-ZIAGYGMSSA-N 1 1 347.419 1.735 20 5 EDBDMO COCC[N@@H+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000159898808 206270791 /nfs/dbraw/zinc/27/07/91/206270791.db2.gz BCIXBHGOLILRCX-LLVKDONJSA-N 1 1 327.356 1.899 20 5 EDBDMO COCC[N@H+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000159898808 206270796 /nfs/dbraw/zinc/27/07/96/206270796.db2.gz BCIXBHGOLILRCX-LLVKDONJSA-N 1 1 327.356 1.899 20 5 EDBDMO C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC000102331987 206302007 /nfs/dbraw/zinc/30/20/07/206302007.db2.gz BRFYSAUNASLNOH-STQMWFEESA-N 1 1 337.424 1.763 20 5 EDBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@H]1O ZINC000248375340 139161162 /nfs/dbraw/zinc/16/11/62/139161162.db2.gz WMQQEXXSTHVTHP-IUODEOHRSA-N 1 1 342.417 1.461 20 5 EDBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@H]1O ZINC000248375340 139161163 /nfs/dbraw/zinc/16/11/63/139161163.db2.gz WMQQEXXSTHVTHP-IUODEOHRSA-N 1 1 342.417 1.461 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000248878218 139178763 /nfs/dbraw/zinc/17/87/63/139178763.db2.gz RHVYETKLDWUQNQ-XJKSGUPXSA-N 1 1 343.387 1.428 20 5 EDBDMO O=C(NC[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000262278405 139265987 /nfs/dbraw/zinc/26/59/87/139265987.db2.gz UGVHXPOVMYBQOW-GOEBONIOSA-N 1 1 346.431 1.675 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000177462075 207339923 /nfs/dbraw/zinc/33/99/23/207339923.db2.gz YHGMXFIFQZZRMC-QGZVFWFLSA-N 1 1 347.371 1.369 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000177462075 207339924 /nfs/dbraw/zinc/33/99/24/207339924.db2.gz YHGMXFIFQZZRMC-QGZVFWFLSA-N 1 1 347.371 1.369 20 5 EDBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCN1C ZINC000423509199 252055810 /nfs/dbraw/zinc/05/58/10/252055810.db2.gz IXGKWKDBTJCYOL-UONOGXRCSA-N 1 1 338.477 1.959 20 5 EDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000112364083 220314467 /nfs/dbraw/zinc/31/44/67/220314467.db2.gz GVSHYAADWDWMEA-UHFFFAOYSA-N 1 1 345.421 1.614 20 5 EDBDMO Cc1nc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450351276 254661977 /nfs/dbraw/zinc/66/19/77/254661977.db2.gz SDMOWNCMQOUJJU-KRWDZBQOSA-N 1 1 343.387 1.742 20 5 EDBDMO CC(C)[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000488012140 255040233 /nfs/dbraw/zinc/04/02/33/255040233.db2.gz SPMDYCKYTMKUMQ-KRWDZBQOSA-N 1 1 346.431 1.756 20 5 EDBDMO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000264103727 139380648 /nfs/dbraw/zinc/38/06/48/139380648.db2.gz AVAKKUOEWVUBSD-UHFFFAOYSA-N 1 1 349.366 1.969 20 5 EDBDMO COc1c(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000416284125 304301588 /nfs/dbraw/zinc/30/15/88/304301588.db2.gz ABVBMPKHHPOBBN-NEPJUHHUSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1c(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000416284125 304301590 /nfs/dbraw/zinc/30/15/90/304301590.db2.gz ABVBMPKHHPOBBN-NEPJUHHUSA-N 1 1 337.376 1.131 20 5 EDBDMO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000271298193 140273395 /nfs/dbraw/zinc/27/33/95/140273395.db2.gz HNKOGSVBZQZTGL-LLVKDONJSA-N 1 1 347.400 1.910 20 5 EDBDMO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000271298193 140273397 /nfs/dbraw/zinc/27/33/97/140273397.db2.gz HNKOGSVBZQZTGL-LLVKDONJSA-N 1 1 347.400 1.910 20 5 EDBDMO C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000271428894 140294851 /nfs/dbraw/zinc/29/48/51/140294851.db2.gz RIOUHFAYEGEQPD-GFCCVEGCSA-N 1 1 331.376 1.579 20 5 EDBDMO C[C@](O)(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000330377654 140843482 /nfs/dbraw/zinc/84/34/82/140843482.db2.gz FJYGUIWERWFNHI-CABZTGNLSA-N 1 1 334.298 1.789 20 5 EDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000332011335 141110239 /nfs/dbraw/zinc/11/02/39/141110239.db2.gz WRFLKINWBCZXCC-LBPRGKRZSA-N 1 1 343.387 1.771 20 5 EDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000332011335 141110240 /nfs/dbraw/zinc/11/02/40/141110240.db2.gz WRFLKINWBCZXCC-LBPRGKRZSA-N 1 1 343.387 1.771 20 5 EDBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332362963 141169284 /nfs/dbraw/zinc/16/92/84/141169284.db2.gz XAFKKYPXXNECIF-XNJGSVPQSA-N 1 1 347.415 1.965 20 5 EDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000345043851 143042862 /nfs/dbraw/zinc/04/28/62/143042862.db2.gz KHTKYKFLYIOSRY-CYBMUJFWSA-N 1 1 332.404 1.981 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000345873692 143142044 /nfs/dbraw/zinc/14/20/44/143142044.db2.gz IAWUKACGZKPNGE-STQMWFEESA-N 1 1 337.424 1.869 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000346638361 143224900 /nfs/dbraw/zinc/22/49/00/143224900.db2.gz IXBJFYLEHMCCJI-COPLHBTASA-N 1 1 335.360 1.805 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000346638361 143224901 /nfs/dbraw/zinc/22/49/01/143224901.db2.gz IXBJFYLEHMCCJI-COPLHBTASA-N 1 1 335.360 1.805 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1-c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000347325614 143308944 /nfs/dbraw/zinc/30/89/44/143308944.db2.gz HEKSMXIFOUQBJE-HZMBPMFUSA-N 1 1 334.336 1.304 20 5 EDBDMO Cc1c(Br)c(=O)n(C[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000352916803 149214916 /nfs/dbraw/zinc/21/49/16/149214916.db2.gz SDHYLDJQZYFSRQ-SECBINFHSA-N 1 1 330.182 1.779 20 5 EDBDMO CCc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000369938394 155242909 /nfs/dbraw/zinc/24/29/09/155242909.db2.gz UTOVPUVLIHZNBQ-DOTOQJQBSA-N 1 1 347.415 1.828 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])cnc3C)[C@@H]2C1 ZINC000355383266 150246068 /nfs/dbraw/zinc/24/60/68/150246068.db2.gz YSFZFHAJZLQLNK-CABCVRRESA-N 1 1 334.376 1.233 20 5 EDBDMO C[C@@H](O)C[N@@H+](C)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000357633737 151094388 /nfs/dbraw/zinc/09/43/88/151094388.db2.gz FDAIXKPSISJCLD-CQSZACIVSA-N 1 1 337.420 1.751 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000357837741 151167990 /nfs/dbraw/zinc/16/79/90/151167990.db2.gz KUXRYQSXVXYLEL-NEPJUHHUSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCO)C1 ZINC000357837741 151167992 /nfs/dbraw/zinc/16/79/92/151167992.db2.gz KUXRYQSXVXYLEL-NEPJUHHUSA-N 1 1 337.376 1.635 20 5 EDBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000370104519 155325482 /nfs/dbraw/zinc/32/54/82/155325482.db2.gz JEJSWYWMMJUJRA-OWCLPIDISA-N 1 1 333.388 1.059 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC1[N+](=O)[O-] ZINC000370104519 155325483 /nfs/dbraw/zinc/32/54/83/155325483.db2.gz JEJSWYWMMJUJRA-OWCLPIDISA-N 1 1 333.388 1.059 20 5 EDBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CC1[N+](=O)[O-] ZINC000370104519 155325485 /nfs/dbraw/zinc/32/54/85/155325485.db2.gz JEJSWYWMMJUJRA-OWCLPIDISA-N 1 1 333.388 1.059 20 5 EDBDMO COc1cc(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000360685045 152151855 /nfs/dbraw/zinc/15/18/55/152151855.db2.gz JGNFXYIKZVHRDY-FRRDWIJNSA-N 1 1 340.376 1.452 20 5 EDBDMO COc1cc(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000360685045 152151857 /nfs/dbraw/zinc/15/18/57/152151857.db2.gz JGNFXYIKZVHRDY-FRRDWIJNSA-N 1 1 340.376 1.452 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000370149005 155348451 /nfs/dbraw/zinc/34/84/51/155348451.db2.gz DKXBUQPRWGTBAP-XJKCOSOUSA-N 1 1 332.404 1.948 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363834914 153070082 /nfs/dbraw/zinc/07/00/82/153070082.db2.gz RRDDXURLYFKFSZ-MQZKNQHPSA-N 1 1 345.399 1.978 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCCCNC1=O ZINC000364114472 153148816 /nfs/dbraw/zinc/14/88/16/153148816.db2.gz LEBAEDYSYDYBCP-OAHLLOKOSA-N 1 1 348.403 1.832 20 5 EDBDMO O=C(C[N@H+]1CC[C@@]2(C1)CCCOC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000367451794 154126563 /nfs/dbraw/zinc/12/65/63/154126563.db2.gz RSQTYVNDUCOLGK-GOSISDBHSA-N 1 1 345.399 1.986 20 5 EDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000367648159 154212503 /nfs/dbraw/zinc/21/25/03/154212503.db2.gz FUZBQJVVNULHJQ-UHFFFAOYSA-N 1 1 333.323 1.779 20 5 EDBDMO CSc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000368004608 154364896 /nfs/dbraw/zinc/36/48/96/154364896.db2.gz DXMQYNNAXROKDI-SNVBAGLBSA-N 1 1 331.344 1.996 20 5 EDBDMO CCc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000371844090 156136511 /nfs/dbraw/zinc/13/65/11/156136511.db2.gz IRKHOPXSCCRTDZ-HUUCEWRRSA-N 1 1 333.388 1.750 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000374532742 157319567 /nfs/dbraw/zinc/31/95/67/157319567.db2.gz ZQANBLSWYKVPBS-CVEARBPZSA-N 1 1 334.351 1.723 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000374532742 157319570 /nfs/dbraw/zinc/31/95/70/157319570.db2.gz ZQANBLSWYKVPBS-CVEARBPZSA-N 1 1 334.351 1.723 20 5 EDBDMO COC1CC([N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000352212056 162053165 /nfs/dbraw/zinc/05/31/65/162053165.db2.gz NAVNZEVTHLQEJC-UHFFFAOYSA-N 1 1 337.332 1.371 20 5 EDBDMO COC1CC([N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000352212056 162053172 /nfs/dbraw/zinc/05/31/72/162053172.db2.gz NAVNZEVTHLQEJC-UHFFFAOYSA-N 1 1 337.332 1.371 20 5 EDBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000353880263 162263911 /nfs/dbraw/zinc/26/39/11/162263911.db2.gz JGUYIHJPIFWBLR-UHFFFAOYSA-N 1 1 338.412 1.157 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000366571776 162396366 /nfs/dbraw/zinc/39/63/66/162396366.db2.gz LCWLMFMSVIVEFV-COXVUDFISA-N 1 1 336.388 1.898 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000366571776 162396371 /nfs/dbraw/zinc/39/63/71/162396371.db2.gz LCWLMFMSVIVEFV-COXVUDFISA-N 1 1 336.388 1.898 20 5 EDBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(O)c1 ZINC000080931432 287309552 /nfs/dbraw/zinc/30/95/52/287309552.db2.gz NVABUKAZLDQLGW-BLLLJJGKSA-N 1 1 334.376 1.941 20 5 EDBDMO COc1ccccc1CC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090526376 287330653 /nfs/dbraw/zinc/33/06/53/287330653.db2.gz RYOKFWIHPNMRKK-UHFFFAOYSA-N 1 1 331.372 1.940 20 5 EDBDMO COC(=O)[C@H](O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119509091 287353439 /nfs/dbraw/zinc/35/34/39/287353439.db2.gz UKEZNFSOMXCJOK-CQSZACIVSA-N 1 1 342.779 1.994 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273698512 268073155 /nfs/dbraw/zinc/07/31/55/268073155.db2.gz NHDIQPKPQBGZHK-BXUZGUMPSA-N 1 1 339.417 1.497 20 5 EDBDMO C[C@H]([NH2+]CC(=O)NCC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000273219721 273033115 /nfs/dbraw/zinc/03/31/15/273033115.db2.gz UWMNYLRYYULKFV-NSHDSACASA-N 1 1 337.376 1.703 20 5 EDBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000277520498 273203903 /nfs/dbraw/zinc/20/39/03/273203903.db2.gz QSIQWAPOVUBSQR-MYODQAERSA-N 1 1 339.417 1.624 20 5 EDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000277520498 273203904 /nfs/dbraw/zinc/20/39/04/273203904.db2.gz QSIQWAPOVUBSQR-MYODQAERSA-N 1 1 339.417 1.624 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-] ZINC000278915112 273270983 /nfs/dbraw/zinc/27/09/83/273270983.db2.gz QVQLVMWHPOYKIK-SJKOYZFVSA-N 1 1 346.387 1.442 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-] ZINC000278915112 273270984 /nfs/dbraw/zinc/27/09/84/273270984.db2.gz QVQLVMWHPOYKIK-SJKOYZFVSA-N 1 1 346.387 1.442 20 5 EDBDMO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccco1 ZINC000279225058 273285842 /nfs/dbraw/zinc/28/58/42/273285842.db2.gz OEBMUYLXFDBPSM-ZDUSSCGKSA-N 1 1 336.323 1.942 20 5 EDBDMO CO[C@]1(C)CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000279436903 273297546 /nfs/dbraw/zinc/29/75/46/273297546.db2.gz YFSVOPSQFYWAGT-QGZVFWFLSA-N 1 1 333.388 1.985 20 5 EDBDMO CO[C@]1(C)CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000279436903 273297547 /nfs/dbraw/zinc/29/75/47/273297547.db2.gz YFSVOPSQFYWAGT-QGZVFWFLSA-N 1 1 333.388 1.985 20 5 EDBDMO COc1cc(C[NH2+]CC2(S(C)(=O)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000279689262 273318760 /nfs/dbraw/zinc/31/87/60/273318760.db2.gz PQPYAIIIWBVKEU-UHFFFAOYSA-N 1 1 344.389 1.279 20 5 EDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280615655 273378024 /nfs/dbraw/zinc/37/80/24/273378024.db2.gz WFMJHCIEQWNPGM-DYVFJYSZSA-N 1 1 349.387 1.803 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)COc2ccccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000284481264 274217803 /nfs/dbraw/zinc/21/78/03/274217803.db2.gz BIUUHCVIXNFABL-STQMWFEESA-N 1 1 337.376 1.151 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000284533025 274235888 /nfs/dbraw/zinc/23/58/88/274235888.db2.gz ADBGBLQUHBOQST-KGLIPLIRSA-N 1 1 345.359 1.016 20 5 EDBDMO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000284533025 274235890 /nfs/dbraw/zinc/23/58/90/274235890.db2.gz ADBGBLQUHBOQST-KGLIPLIRSA-N 1 1 345.359 1.016 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000284533025 274235891 /nfs/dbraw/zinc/23/58/91/274235891.db2.gz ADBGBLQUHBOQST-KGLIPLIRSA-N 1 1 345.359 1.016 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000284775258 274326903 /nfs/dbraw/zinc/32/69/03/274326903.db2.gz AKJIJPPBPJOEOZ-KGLIPLIRSA-N 1 1 339.779 1.793 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000284881273 274370848 /nfs/dbraw/zinc/37/08/48/274370848.db2.gz GNDRVTJLCVYGTM-LLVKDONJSA-N 1 1 338.364 1.134 20 5 EDBDMO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269609904 276040444 /nfs/dbraw/zinc/04/04/44/276040444.db2.gz QVXZQYGIHHXNAL-NEPJUHHUSA-N 1 1 335.408 1.998 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269609904 276040446 /nfs/dbraw/zinc/04/04/46/276040446.db2.gz QVXZQYGIHHXNAL-NEPJUHHUSA-N 1 1 335.408 1.998 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269609904 276040448 /nfs/dbraw/zinc/04/04/48/276040448.db2.gz QVXZQYGIHHXNAL-NEPJUHHUSA-N 1 1 335.408 1.998 20 5 EDBDMO CCNC(=O)[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000339324534 276263382 /nfs/dbraw/zinc/26/33/82/276263382.db2.gz BMSYRPRKOBRXOU-CQSZACIVSA-N 1 1 327.356 1.993 20 5 EDBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173406329 277001390 /nfs/dbraw/zinc/00/13/90/277001390.db2.gz OYCLFXLCKGXYBY-LLVKDONJSA-N 1 1 347.824 1.963 20 5 EDBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173406329 277001392 /nfs/dbraw/zinc/00/13/92/277001392.db2.gz OYCLFXLCKGXYBY-LLVKDONJSA-N 1 1 347.824 1.963 20 5 EDBDMO CNc1c(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)cccc1[N+](=O)[O-] ZINC000346700408 277301305 /nfs/dbraw/zinc/30/13/05/277301305.db2.gz PSEXBMJHURUGNB-RYUDHWBXSA-N 1 1 336.392 1.428 20 5 EDBDMO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000137183970 278281264 /nfs/dbraw/zinc/28/12/64/278281264.db2.gz FXFVLSNBIZZGCX-NSHDSACASA-N 1 1 341.795 1.946 20 5 EDBDMO C[N@H+]1CCO[C@@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000286604160 288043926 /nfs/dbraw/zinc/04/39/26/288043926.db2.gz XVQRTPRVZKAXEN-WDEREUQCSA-N 1 1 335.389 1.509 20 5 EDBDMO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccn1 ZINC000287327833 288210675 /nfs/dbraw/zinc/21/06/75/288210675.db2.gz KITZGMRRTJNZLJ-UHFFFAOYSA-N 1 1 332.360 1.300 20 5 EDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccn1 ZINC000287327833 288210677 /nfs/dbraw/zinc/21/06/77/288210677.db2.gz KITZGMRRTJNZLJ-UHFFFAOYSA-N 1 1 332.360 1.300 20 5 EDBDMO O=C([C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287496766 288251018 /nfs/dbraw/zinc/25/10/18/288251018.db2.gz TVAJVZYERUKHAP-ZBFHGGJFSA-N 1 1 333.388 1.573 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000291179824 289013349 /nfs/dbraw/zinc/01/33/49/289013349.db2.gz FAZQIBXGGJEXAD-GFCCVEGCSA-N 1 1 348.403 1.506 20 5 EDBDMO C[C@H]1[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000291702866 289155657 /nfs/dbraw/zinc/15/56/57/289155657.db2.gz FNWIFVZVHSNUGA-AAEUAGOBSA-N 1 1 329.360 1.711 20 5 EDBDMO C[C@H]1[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291702866 289155659 /nfs/dbraw/zinc/15/56/59/289155659.db2.gz FNWIFVZVHSNUGA-AAEUAGOBSA-N 1 1 329.360 1.711 20 5 EDBDMO C[C@H]1[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000291702866 289155662 /nfs/dbraw/zinc/15/56/62/289155662.db2.gz FNWIFVZVHSNUGA-AAEUAGOBSA-N 1 1 329.360 1.711 20 5 EDBDMO COCC(C)(C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000292094663 289259583 /nfs/dbraw/zinc/25/95/83/289259583.db2.gz HEHBZAFTZDLNHU-UHFFFAOYSA-N 1 1 325.365 1.899 20 5 EDBDMO COCC(C)(C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000292094663 289259584 /nfs/dbraw/zinc/25/95/84/289259584.db2.gz HEHBZAFTZDLNHU-UHFFFAOYSA-N 1 1 325.365 1.899 20 5 EDBDMO Cc1cc(OCC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292359914 289325447 /nfs/dbraw/zinc/32/54/47/289325447.db2.gz WAQZDDFBEMTWSO-QGZVFWFLSA-N 1 1 333.388 1.836 20 5 EDBDMO CN(C(=O)C[N@H+]1CC[C@H](O)C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000292603468 289392823 /nfs/dbraw/zinc/39/28/23/289392823.db2.gz DWARSNIPLGJVMM-HNNXBMFYSA-N 1 1 333.388 1.937 20 5 EDBDMO Cc1ccnc(N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000127050592 302269826 /nfs/dbraw/zinc/26/98/26/302269826.db2.gz UREZJEAHSIAIIN-OAHLLOKOSA-N 1 1 333.436 1.905 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000456206289 447326425 /nfs/dbraw/zinc/32/64/25/447326425.db2.gz DSRUBJJANOBUOH-PHIMTYICSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000456206289 447326427 /nfs/dbraw/zinc/32/64/27/447326427.db2.gz DSRUBJJANOBUOH-PHIMTYICSA-N 1 1 341.795 1.775 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000293813335 303022885 /nfs/dbraw/zinc/02/28/85/303022885.db2.gz FKHSIWILNNDOHI-UONOGXRCSA-N 1 1 334.376 1.112 20 5 EDBDMO Cc1ccc(NC(=O)NCCC[N@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000294148811 303069838 /nfs/dbraw/zinc/06/98/38/303069838.db2.gz HCOFNSWNQKNKPN-UHFFFAOYSA-N 1 1 337.424 1.908 20 5 EDBDMO Cc1ccc(NC(=O)NCCCN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000294148811 303069839 /nfs/dbraw/zinc/06/98/39/303069839.db2.gz HCOFNSWNQKNKPN-UHFFFAOYSA-N 1 1 337.424 1.908 20 5 EDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294577979 303126413 /nfs/dbraw/zinc/12/64/13/303126413.db2.gz PQZLBPMPUJVHCX-NSHDSACASA-N 1 1 329.360 1.666 20 5 EDBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000295368230 303210217 /nfs/dbraw/zinc/21/02/17/303210217.db2.gz GEPNXAISRLUCKF-GFCCVEGCSA-N 1 1 341.795 1.825 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4cc[nH]n4)CC3)nc2c1 ZINC000295661198 303248825 /nfs/dbraw/zinc/24/88/25/303248825.db2.gz FBPQQXTWBXDHOT-UHFFFAOYSA-N 1 1 341.375 1.907 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4cc[nH]n4)CC3)nc2c1 ZINC000295661198 303248826 /nfs/dbraw/zinc/24/88/26/303248826.db2.gz FBPQQXTWBXDHOT-UHFFFAOYSA-N 1 1 341.375 1.907 20 5 EDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000301096051 303660630 /nfs/dbraw/zinc/66/06/30/303660630.db2.gz OKOCFVTUBDUPKR-UHFFFAOYSA-N 1 1 341.371 1.411 20 5 EDBDMO COc1cc(NC2CC[NH+](CC(N)=O)CC2)c([N+](=O)[O-])cc1F ZINC000301620336 303686720 /nfs/dbraw/zinc/68/67/20/303686720.db2.gz MKRJIXPVBMCBKK-UHFFFAOYSA-N 1 1 326.328 1.104 20 5 EDBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301968388 303705614 /nfs/dbraw/zinc/70/56/14/303705614.db2.gz PKJNZWKZCCBMJK-LBPRGKRZSA-N 1 1 341.375 1.830 20 5 EDBDMO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000390241950 303849358 /nfs/dbraw/zinc/84/93/58/303849358.db2.gz RPELDKNINFHXTR-LLVKDONJSA-N 1 1 331.369 1.400 20 5 EDBDMO CCOc1cc(NC[C@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000433402034 305108145 /nfs/dbraw/zinc/10/81/45/305108145.db2.gz HSOOGXNBZMEXSS-INIZCTEOSA-N 1 1 339.392 1.489 20 5 EDBDMO CCc1nn(C)c(N2CCC([N@@H+](C)C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000436443776 305157347 /nfs/dbraw/zinc/15/73/47/305157347.db2.gz WQOTWEATGCDRRY-NSHDSACASA-N 1 1 325.413 1.172 20 5 EDBDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000440536858 305209540 /nfs/dbraw/zinc/20/95/40/305209540.db2.gz AWLOSAFWHACBPV-HNNXBMFYSA-N 1 1 326.349 1.661 20 5 EDBDMO C[C@@H]1C[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000443789122 305241440 /nfs/dbraw/zinc/24/14/40/305241440.db2.gz XWORSKOSBPTGPK-DGCLKSJQSA-N 1 1 327.406 1.497 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000448923248 305304237 /nfs/dbraw/zinc/30/42/37/305304237.db2.gz VEDNCCFFJMUPGY-CQSZACIVSA-N 1 1 341.371 1.701 20 5 EDBDMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545968 305352590 /nfs/dbraw/zinc/35/25/90/305352590.db2.gz IIJZWMJASWEOGY-OCCSQVGLSA-N 1 1 349.387 1.452 20 5 EDBDMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545968 305352591 /nfs/dbraw/zinc/35/25/91/305352591.db2.gz IIJZWMJASWEOGY-OCCSQVGLSA-N 1 1 349.387 1.452 20 5 EDBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000452373150 305394277 /nfs/dbraw/zinc/39/42/77/305394277.db2.gz GEKRLLWPBZAQPL-CYBMUJFWSA-N 1 1 325.340 1.311 20 5 EDBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548062861 306118878 /nfs/dbraw/zinc/11/88/78/306118878.db2.gz SSCIXNPOYNUJSP-UHFFFAOYSA-N 1 1 340.343 1.762 20 5 EDBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH+](CCc2cccs2)CC1 ZINC000554835937 306198544 /nfs/dbraw/zinc/19/85/44/306198544.db2.gz QXKXRPKINNRKJA-UHFFFAOYSA-N 1 1 335.389 1.380 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000555028484 306199796 /nfs/dbraw/zinc/19/97/96/306199796.db2.gz NOFJJBKRYRDZGE-LBPRGKRZSA-N 1 1 348.403 1.554 20 5 EDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C(N)=O)CC1 ZINC000045468924 440992197 /nfs/dbraw/zinc/99/21/97/440992197.db2.gz JCEMHHHSUAVSER-SNVBAGLBSA-N 1 1 345.359 1.903 20 5 EDBDMO Cc1ccc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000046227572 441093799 /nfs/dbraw/zinc/09/37/99/441093799.db2.gz XJAUBERPCKWSRP-UHFFFAOYSA-N 1 1 349.391 1.189 20 5 EDBDMO C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[N@@H+](C)C1CC1 ZINC000057708915 441129044 /nfs/dbraw/zinc/12/90/44/441129044.db2.gz AKSPSURAUSWPCC-GFCCVEGCSA-N 1 1 343.387 1.993 20 5 EDBDMO C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000097617194 441142984 /nfs/dbraw/zinc/14/29/84/441142984.db2.gz OJDBZFSZZGEPBS-UHFFFAOYSA-N 1 1 332.404 1.973 20 5 EDBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000104755268 441205063 /nfs/dbraw/zinc/20/50/63/441205063.db2.gz YDBMZTQMZUGZNO-UHFFFAOYSA-N 1 1 333.435 1.809 20 5 EDBDMO Cn1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1=O ZINC000072665097 441247576 /nfs/dbraw/zinc/24/75/76/441247576.db2.gz KVXBKRPJKYPXPD-CYBMUJFWSA-N 1 1 329.360 1.375 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000074106169 441394130 /nfs/dbraw/zinc/39/41/30/441394130.db2.gz LUKGXDWBFZBNPR-LBPRGKRZSA-N 1 1 337.376 1.444 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074315626 441419684 /nfs/dbraw/zinc/41/96/84/441419684.db2.gz ZVFVCJMWOVOPAG-OAHLLOKOSA-N 1 1 349.435 1.680 20 5 EDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000108339732 441448045 /nfs/dbraw/zinc/44/80/45/441448045.db2.gz RGMISYWZXMUSCH-CYBMUJFWSA-N 1 1 343.387 1.852 20 5 EDBDMO Cc1c(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000052671839 441468031 /nfs/dbraw/zinc/46/80/31/441468031.db2.gz GQMWBCFKNPYFRL-CYBMUJFWSA-N 1 1 327.406 1.417 20 5 EDBDMO Cc1c(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000052671839 441468035 /nfs/dbraw/zinc/46/80/35/441468035.db2.gz GQMWBCFKNPYFRL-CYBMUJFWSA-N 1 1 327.406 1.417 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000108618637 441470070 /nfs/dbraw/zinc/47/00/70/441470070.db2.gz ZQDCNTHEWVXWRD-CYBMUJFWSA-N 1 1 346.387 1.442 20 5 EDBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000090465801 441630833 /nfs/dbraw/zinc/63/08/33/441630833.db2.gz AWUHILJVAAAEFY-NEPJUHHUSA-N 1 1 325.390 1.639 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000090465801 441630836 /nfs/dbraw/zinc/63/08/36/441630836.db2.gz AWUHILJVAAAEFY-NEPJUHHUSA-N 1 1 325.390 1.639 20 5 EDBDMO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000173295811 441706407 /nfs/dbraw/zinc/70/64/07/441706407.db2.gz GDCHNVRPXNECQC-OAHLLOKOSA-N 1 1 346.431 1.837 20 5 EDBDMO COCC[N@@H+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000117285204 441867219 /nfs/dbraw/zinc/86/72/19/441867219.db2.gz HFOLALBMTUAAEM-NPQIQWPPSA-N 1 1 333.388 1.787 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000117285204 441867224 /nfs/dbraw/zinc/86/72/24/441867224.db2.gz HFOLALBMTUAAEM-NPQIQWPPSA-N 1 1 333.388 1.787 20 5 EDBDMO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000122055248 441833148 /nfs/dbraw/zinc/83/31/48/441833148.db2.gz QWZIUGHKFYTSFL-AWEZNQCLSA-N 1 1 334.420 1.137 20 5 EDBDMO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118867016 441907859 /nfs/dbraw/zinc/90/78/59/441907859.db2.gz XFSXPDKANFQWAF-OCCSQVGLSA-N 1 1 347.419 1.923 20 5 EDBDMO C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118867016 441907862 /nfs/dbraw/zinc/90/78/62/441907862.db2.gz XFSXPDKANFQWAF-OCCSQVGLSA-N 1 1 347.419 1.923 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000174025384 441879799 /nfs/dbraw/zinc/87/97/99/441879799.db2.gz CYWYDWIHNRXNBL-NSHDSACASA-N 1 1 345.396 1.696 20 5 EDBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000119519365 441939476 /nfs/dbraw/zinc/93/94/76/441939476.db2.gz BKYPKEPJGUFMDI-UTUOFQBUSA-N 1 1 337.380 1.032 20 5 EDBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000078507352 441939697 /nfs/dbraw/zinc/93/96/97/441939697.db2.gz WIHRXFUQSOJPLM-CYBMUJFWSA-N 1 1 328.376 1.678 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000175390260 442053313 /nfs/dbraw/zinc/05/33/13/442053313.db2.gz IOGNGXXBZIOTTL-ZDUSSCGKSA-N 1 1 327.406 1.700 20 5 EDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCCCO1 ZINC000126030816 442070359 /nfs/dbraw/zinc/07/03/59/442070359.db2.gz FCMGQWRJZJJEOZ-HNNXBMFYSA-N 1 1 333.388 1.985 20 5 EDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCCCO1 ZINC000126030816 442070366 /nfs/dbraw/zinc/07/03/66/442070366.db2.gz FCMGQWRJZJJEOZ-HNNXBMFYSA-N 1 1 333.388 1.985 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175478345 442070854 /nfs/dbraw/zinc/07/08/54/442070854.db2.gz OGHUGIPIHBKYCE-UHFFFAOYSA-N 1 1 329.784 1.946 20 5 EDBDMO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152460197 442215886 /nfs/dbraw/zinc/21/58/86/442215886.db2.gz HQPWMUFHUQOWPA-CQSZACIVSA-N 1 1 334.420 1.831 20 5 EDBDMO O=C(C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000152825840 442246255 /nfs/dbraw/zinc/24/62/55/442246255.db2.gz CRZTVWOZXRLARH-PHIMTYICSA-N 1 1 333.344 1.994 20 5 EDBDMO O=C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000152825840 442246257 /nfs/dbraw/zinc/24/62/57/442246257.db2.gz CRZTVWOZXRLARH-PHIMTYICSA-N 1 1 333.344 1.994 20 5 EDBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171720045 442374278 /nfs/dbraw/zinc/37/42/78/442374278.db2.gz FCSWRNILUWMSSJ-ZDUSSCGKSA-N 1 1 335.408 1.030 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171903303 442389674 /nfs/dbraw/zinc/38/96/74/442389674.db2.gz PZKHQBKVTGKYPC-OAHLLOKOSA-N 1 1 336.392 1.505 20 5 EDBDMO CCOC(=O)CC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000178557776 442443884 /nfs/dbraw/zinc/44/38/84/442443884.db2.gz WNUPHJCOUNNXCE-UHFFFAOYSA-N 1 1 335.360 1.369 20 5 EDBDMO CCOC(=O)CC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000178557776 442443887 /nfs/dbraw/zinc/44/38/87/442443887.db2.gz WNUPHJCOUNNXCE-UHFFFAOYSA-N 1 1 335.360 1.369 20 5 EDBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000178679923 442455651 /nfs/dbraw/zinc/45/56/51/442455651.db2.gz XUMUUFQICQTRRQ-SMDDNHRTSA-N 1 1 347.419 1.969 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000178679923 442455654 /nfs/dbraw/zinc/45/56/54/442455654.db2.gz XUMUUFQICQTRRQ-SMDDNHRTSA-N 1 1 347.419 1.969 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000178679923 442455657 /nfs/dbraw/zinc/45/56/57/442455657.db2.gz XUMUUFQICQTRRQ-SMDDNHRTSA-N 1 1 347.419 1.969 20 5 EDBDMO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000178679937 442455834 /nfs/dbraw/zinc/45/58/34/442455834.db2.gz XUMUUFQICQTRRQ-FZMZJTMJSA-N 1 1 347.419 1.969 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000178679937 442455836 /nfs/dbraw/zinc/45/58/36/442455836.db2.gz XUMUUFQICQTRRQ-FZMZJTMJSA-N 1 1 347.419 1.969 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000178679937 442455838 /nfs/dbraw/zinc/45/58/38/442455838.db2.gz XUMUUFQICQTRRQ-FZMZJTMJSA-N 1 1 347.419 1.969 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135537268 442609400 /nfs/dbraw/zinc/60/94/00/442609400.db2.gz WUDLSJMMHVOSDS-ZFWWWQNUSA-N 1 1 347.419 1.877 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000181889683 442720643 /nfs/dbraw/zinc/72/06/43/442720643.db2.gz ORRUGTYGZCBKPL-QYCFJQJSSA-N 1 1 336.388 1.427 20 5 EDBDMO Cc1nccn1CCC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182227494 442747549 /nfs/dbraw/zinc/74/75/49/442747549.db2.gz XICXPJFQMIZUME-HNNXBMFYSA-N 1 1 348.403 1.862 20 5 EDBDMO CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000182634065 442799678 /nfs/dbraw/zinc/79/96/78/442799678.db2.gz BBTMIVJXPHGAPI-GFCCVEGCSA-N 1 1 349.387 1.757 20 5 EDBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000182634065 442799681 /nfs/dbraw/zinc/79/96/81/442799681.db2.gz BBTMIVJXPHGAPI-GFCCVEGCSA-N 1 1 349.387 1.757 20 5 EDBDMO C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188657270 442781546 /nfs/dbraw/zinc/78/15/46/442781546.db2.gz XOJDHIQMTXIYKK-NSHDSACASA-N 1 1 339.367 1.651 20 5 EDBDMO C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188657270 442781550 /nfs/dbraw/zinc/78/15/50/442781550.db2.gz XOJDHIQMTXIYKK-NSHDSACASA-N 1 1 339.367 1.651 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000265558400 442823800 /nfs/dbraw/zinc/82/38/00/442823800.db2.gz LLXCVZFKHOTAHB-GFCCVEGCSA-N 1 1 341.795 1.628 20 5 EDBDMO C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000183641589 442948558 /nfs/dbraw/zinc/94/85/58/442948558.db2.gz RMFPLTPBQCJCNY-GFCCVEGCSA-N 1 1 341.433 1.539 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1CC(C)(C)O ZINC000190092907 443056488 /nfs/dbraw/zinc/05/64/88/443056488.db2.gz HHTBQMRPFNKWOK-LLVKDONJSA-N 1 1 336.392 1.094 20 5 EDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000255078204 443084289 /nfs/dbraw/zinc/08/42/89/443084289.db2.gz KOSPIBAEJACDPT-CTEOGUNLSA-N 1 1 345.399 1.931 20 5 EDBDMO O=C(C[NH2+][C@H](CCO)c1ccco1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000185090380 443134771 /nfs/dbraw/zinc/13/47/71/443134771.db2.gz YMTUYQPUBVEUGO-CQSZACIVSA-N 1 1 345.355 1.790 20 5 EDBDMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000255694362 443108000 /nfs/dbraw/zinc/10/80/00/443108000.db2.gz DANUVPBCAUTFEQ-JJEJIETFSA-N 1 1 347.415 1.961 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000190446651 443110716 /nfs/dbraw/zinc/11/07/16/443110716.db2.gz SSTVLNOKBLLKJA-BXUZGUMPSA-N 1 1 337.376 1.635 20 5 EDBDMO CNC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411228109 319172412 /nfs/dbraw/zinc/17/24/12/319172412.db2.gz QIGLUPKNFQXWQZ-AWEZNQCLSA-N 1 1 334.376 1.524 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411650568 319192213 /nfs/dbraw/zinc/19/22/13/319192213.db2.gz BXRBHODLYZOUOT-RYUDHWBXSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000414653278 319336808 /nfs/dbraw/zinc/33/68/08/319336808.db2.gz HVEPHSZQDHLTJW-AWEZNQCLSA-N 1 1 326.328 1.769 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@]2(C)C(N)=O)cccc1[N+](=O)[O-] ZINC000185903100 443279669 /nfs/dbraw/zinc/27/96/69/443279669.db2.gz KDGKXKDUSXMRAN-KRWDZBQOSA-N 1 1 348.403 1.962 20 5 EDBDMO CCc1ccc(C(=O)N2CCC[N@@H+](CCOC)CC2)cc1[N+](=O)[O-] ZINC000266923494 443291867 /nfs/dbraw/zinc/29/18/67/443291867.db2.gz LBMWXMZYBGIWOZ-UHFFFAOYSA-N 1 1 335.404 1.952 20 5 EDBDMO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000264368643 443266401 /nfs/dbraw/zinc/26/64/01/443266401.db2.gz ALBSDBZDXYCRHB-WFASDCNBSA-N 1 1 333.388 1.719 20 5 EDBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000264368643 443266403 /nfs/dbraw/zinc/26/64/03/443266403.db2.gz ALBSDBZDXYCRHB-WFASDCNBSA-N 1 1 333.388 1.719 20 5 EDBDMO CO[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000282419082 443334132 /nfs/dbraw/zinc/33/41/32/443334132.db2.gz QQJLOVDTZWJUNF-IUODEOHRSA-N 1 1 333.388 1.983 20 5 EDBDMO CO[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000282419082 443334136 /nfs/dbraw/zinc/33/41/36/443334136.db2.gz QQJLOVDTZWJUNF-IUODEOHRSA-N 1 1 333.388 1.983 20 5 EDBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000282563950 443375467 /nfs/dbraw/zinc/37/54/67/443375467.db2.gz RNEFTEQIQOFVTC-UHFFFAOYSA-N 1 1 338.339 1.191 20 5 EDBDMO C[N@@H+](CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000272867804 443472507 /nfs/dbraw/zinc/47/25/07/443472507.db2.gz RBPWGVKUSPRVEJ-UHFFFAOYSA-N 1 1 340.767 1.397 20 5 EDBDMO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271743065 443512337 /nfs/dbraw/zinc/51/23/37/443512337.db2.gz WTZOVGPQFBFYOI-UONOGXRCSA-N 1 1 349.435 1.591 20 5 EDBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000264967811 443494312 /nfs/dbraw/zinc/49/43/12/443494312.db2.gz OTCWXNLLSUISON-RYUDHWBXSA-N 1 1 339.417 1.671 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272219145 443560263 /nfs/dbraw/zinc/56/02/63/443560263.db2.gz KDPYWGISTVGEEA-SNVBAGLBSA-N 1 1 335.389 1.814 20 5 EDBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)C1 ZINC000265189983 443563998 /nfs/dbraw/zinc/56/39/98/443563998.db2.gz KNMVYRJIYPEHOO-STQMWFEESA-N 1 1 338.408 1.790 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000279457103 443588721 /nfs/dbraw/zinc/58/87/21/443588721.db2.gz ZVIMYIUKGGUCME-SRCQZFHVSA-N 1 1 336.388 1.834 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000279457103 443588725 /nfs/dbraw/zinc/58/87/25/443588725.db2.gz ZVIMYIUKGGUCME-SRCQZFHVSA-N 1 1 336.388 1.834 20 5 EDBDMO Cc1n[nH]c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000274297689 443602947 /nfs/dbraw/zinc/60/29/47/443602947.db2.gz PFAFWSVGJAFPAU-RISCZKNCSA-N 1 1 343.387 1.877 20 5 EDBDMO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000286152881 443656819 /nfs/dbraw/zinc/65/68/19/443656819.db2.gz YDRSCPGMGRWKOY-KGLIPLIRSA-N 1 1 348.403 1.850 20 5 EDBDMO CC(C)N1C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000286152881 443656820 /nfs/dbraw/zinc/65/68/20/443656820.db2.gz YDRSCPGMGRWKOY-KGLIPLIRSA-N 1 1 348.403 1.850 20 5 EDBDMO O=[N+]([O-])c1ccc(CCNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)cc1 ZINC000435342633 320018010 /nfs/dbraw/zinc/01/80/10/320018010.db2.gz HVUZLNRIAAKKQW-CQSZACIVSA-N 1 1 343.387 1.474 20 5 EDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000440864190 320084733 /nfs/dbraw/zinc/08/47/33/320084733.db2.gz MLIOKMSELPXQQV-LLVKDONJSA-N 1 1 343.405 1.366 20 5 EDBDMO Cc1sc(C(=O)N2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000444366886 320127762 /nfs/dbraw/zinc/12/77/62/320127762.db2.gz PYNQKJDFIWNMIN-SNVBAGLBSA-N 1 1 341.433 1.882 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCCC[N@@H+]1CCO ZINC000449390336 320187827 /nfs/dbraw/zinc/18/78/27/320187827.db2.gz GJGOUJQRXMMKGP-INIZCTEOSA-N 1 1 337.420 1.930 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCCC[N@H+]1CCO ZINC000449390336 320187828 /nfs/dbraw/zinc/18/78/28/320187828.db2.gz GJGOUJQRXMMKGP-INIZCTEOSA-N 1 1 337.420 1.930 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(F)cc1[N+](=O)[O-] ZINC000452390817 320248837 /nfs/dbraw/zinc/24/88/37/320248837.db2.gz OYSAHGHSYWWUDD-LBPRGKRZSA-N 1 1 325.340 1.311 20 5 EDBDMO CCOc1cc(N2CC[NH+](CCOCCO)CC2)ccc1[N+](=O)[O-] ZINC000280236524 443680106 /nfs/dbraw/zinc/68/01/06/443680106.db2.gz MVYCRDFIQGDXFM-UHFFFAOYSA-N 1 1 339.392 1.124 20 5 EDBDMO O=C(C[N@H+]1CCC[C@@H](CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000298690509 443839999 /nfs/dbraw/zinc/83/99/99/443839999.db2.gz XKTINWXQWYMNEZ-SNVBAGLBSA-N 1 1 327.768 1.891 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@@H](CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000298690509 443840001 /nfs/dbraw/zinc/84/00/01/443840001.db2.gz XKTINWXQWYMNEZ-SNVBAGLBSA-N 1 1 327.768 1.891 20 5 EDBDMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285165533 443879810 /nfs/dbraw/zinc/87/98/10/443879810.db2.gz AUGLCDAEYDZPOJ-GFCCVEGCSA-N 1 1 336.392 1.692 20 5 EDBDMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285165533 443879813 /nfs/dbraw/zinc/87/98/13/443879813.db2.gz AUGLCDAEYDZPOJ-GFCCVEGCSA-N 1 1 336.392 1.692 20 5 EDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000292966779 443891071 /nfs/dbraw/zinc/89/10/71/443891071.db2.gz LYVXHIRVRSGOGF-HNNXBMFYSA-N 1 1 347.375 1.395 20 5 EDBDMO O=C1[C@@H]([NH+]2CCC(CCO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000533281860 320686229 /nfs/dbraw/zinc/68/62/29/320686229.db2.gz VRWCNLNWEJBCOT-INIZCTEOSA-N 1 1 333.388 1.795 20 5 EDBDMO CC[C@@H](C)[N@@H+](CC(=O)OC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281233111 443855108 /nfs/dbraw/zinc/85/51/08/443855108.db2.gz FNQBKNYILPWWKB-CHWSQXEVSA-N 1 1 340.376 1.608 20 5 EDBDMO CC[C@@H](C)[N@H+](CC(=O)OC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281233111 443855114 /nfs/dbraw/zinc/85/51/14/443855114.db2.gz FNQBKNYILPWWKB-CHWSQXEVSA-N 1 1 340.376 1.608 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285310896 443937353 /nfs/dbraw/zinc/93/73/53/443937353.db2.gz QMFNQTBZPCUTGK-YCZSJOHXSA-N 1 1 331.372 1.540 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000285272369 443920793 /nfs/dbraw/zinc/92/07/93/443920793.db2.gz SSZFNPQKSRVGPG-CHWSQXEVSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000299395402 444036114 /nfs/dbraw/zinc/03/61/14/444036114.db2.gz ULJGMLRBQIHUKS-JSGCOSHPSA-N 1 1 348.403 1.687 20 5 EDBDMO C[C@@H]1C[C@H](Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[N@H+]1C1CC1 ZINC000569058102 321316128 /nfs/dbraw/zinc/31/61/28/321316128.db2.gz DZNGMLIOBLTHSE-ZJUUUORDSA-N 1 1 340.405 1.279 20 5 EDBDMO COc1cccc([C@H]2C[C@@H](O)C[N@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000282160978 444101716 /nfs/dbraw/zinc/10/17/16/444101716.db2.gz LSJWFTTVRBVZKZ-UKRRQHHQSA-N 1 1 332.360 1.608 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(Oc2ncnc3c2C[N@@H+](C)CC3)c1 ZINC000299644007 444104107 /nfs/dbraw/zinc/10/41/07/444104107.db2.gz WJUJLGMAOGCVQG-UHFFFAOYSA-N 1 1 344.327 1.952 20 5 EDBDMO Cn1ccnc1[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587364 321393368 /nfs/dbraw/zinc/39/33/68/321393368.db2.gz PUFZIOCEXKEDDB-KGLIPLIRSA-N 1 1 346.387 1.558 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000285869119 444135830 /nfs/dbraw/zinc/13/58/30/444135830.db2.gz IYBCPBWNOGNHAN-BBRMVZONSA-N 1 1 335.404 1.898 20 5 EDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)nc1 ZINC000302243535 444210995 /nfs/dbraw/zinc/21/09/95/444210995.db2.gz ZBSQFKZJWJXOJJ-ZFWWWQNUSA-N 1 1 329.360 1.432 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301542873 444178868 /nfs/dbraw/zinc/17/88/68/444178868.db2.gz NZZPMCFYGWHGBR-RYUDHWBXSA-N 1 1 331.376 1.379 20 5 EDBDMO CC(C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)N1CC[NH+](C)CC1 ZINC000301940512 444197394 /nfs/dbraw/zinc/19/73/94/444197394.db2.gz UILVAQTYIWWFEL-ZDUSSCGKSA-N 1 1 347.423 1.321 20 5 EDBDMO CN(C)CC[NH+]1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301936602 444197503 /nfs/dbraw/zinc/19/75/03/444197503.db2.gz RNADLDPBBUWTJZ-UHFFFAOYSA-N 1 1 333.396 1.075 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000297635312 444311449 /nfs/dbraw/zinc/31/14/49/444311449.db2.gz XIYQCRUEBPLPKG-WCQYABFASA-N 1 1 341.433 1.775 20 5 EDBDMO O=C(CCN1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000581369931 322169576 /nfs/dbraw/zinc/16/95/76/322169576.db2.gz BWVMNHCRXXKFSA-QGZVFWFLSA-N 1 1 332.404 1.999 20 5 EDBDMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000342209594 444566615 /nfs/dbraw/zinc/56/66/15/444566615.db2.gz SXEKQYHEEVFHPH-ZIAGYGMSSA-N 1 1 344.371 1.288 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCc2[nH+]ccn2C1 ZINC000340924262 444578822 /nfs/dbraw/zinc/57/88/22/444578822.db2.gz NGSBLGGJNJEZLP-LLVKDONJSA-N 1 1 329.360 1.825 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)C[C@@H]1C ZINC000343795665 444597123 /nfs/dbraw/zinc/59/71/23/444597123.db2.gz XVOXFHLOUMFDPS-LBPRGKRZSA-N 1 1 336.392 1.568 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)C[C@@H]1C ZINC000343795665 444597131 /nfs/dbraw/zinc/59/71/31/444597131.db2.gz XVOXFHLOUMFDPS-LBPRGKRZSA-N 1 1 336.392 1.568 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)C[C@@H]1C ZINC000343795665 444597136 /nfs/dbraw/zinc/59/71/36/444597136.db2.gz XVOXFHLOUMFDPS-LBPRGKRZSA-N 1 1 336.392 1.568 20 5 EDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000340972607 444608276 /nfs/dbraw/zinc/60/82/76/444608276.db2.gz XCRJSUOOUIIAFH-KBPBESRZSA-N 1 1 332.404 1.441 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2C[C@H](OC)C[N@@H+]2C)c1 ZINC000343880336 444642999 /nfs/dbraw/zinc/64/29/99/444642999.db2.gz QWHFXPUXXNVIBH-OLZOCXBDSA-N 1 1 337.376 1.537 20 5 EDBDMO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000341039948 444646837 /nfs/dbraw/zinc/64/68/37/444646837.db2.gz DYYAYFHWNSOFDI-RWSFTLGLSA-N 1 1 337.376 1.633 20 5 EDBDMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000341039948 444646840 /nfs/dbraw/zinc/64/68/40/444646840.db2.gz DYYAYFHWNSOFDI-RWSFTLGLSA-N 1 1 337.376 1.633 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCSCC2)c1 ZINC000338535974 444738805 /nfs/dbraw/zinc/73/88/05/444738805.db2.gz ISOPWMWAGRZCNW-UHFFFAOYSA-N 1 1 339.417 1.772 20 5 EDBDMO C[C@H]1[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000344060788 444757848 /nfs/dbraw/zinc/75/78/48/444757848.db2.gz LSUNYZSGFOBRTP-JOYOIKCWSA-N 1 1 331.369 1.495 20 5 EDBDMO C[C@H]1[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000344060788 444757851 /nfs/dbraw/zinc/75/78/51/444757851.db2.gz LSUNYZSGFOBRTP-JOYOIKCWSA-N 1 1 331.369 1.495 20 5 EDBDMO CC(=O)NC1CCC([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000344147853 444807571 /nfs/dbraw/zinc/80/75/71/444807571.db2.gz RFOAGKMAPWUHMV-UHFFFAOYSA-N 1 1 348.403 1.912 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000342753786 444849254 /nfs/dbraw/zinc/84/92/54/444849254.db2.gz QFOSJWWBJPSMRK-RRFJBIMHSA-N 1 1 336.388 1.693 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000342781692 444864726 /nfs/dbraw/zinc/86/47/26/444864726.db2.gz QLMKQDIKTYPQIG-SNVBAGLBSA-N 1 1 331.332 1.504 20 5 EDBDMO COC[C@H]1C[C@@H](OC)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000344377065 444929260 /nfs/dbraw/zinc/92/92/60/444929260.db2.gz XKYATIKYGVFJGW-ZIAGYGMSSA-N 1 1 348.359 1.881 20 5 EDBDMO COC[C@H]1C[C@@H](OC)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000344377065 444929270 /nfs/dbraw/zinc/92/92/70/444929270.db2.gz XKYATIKYGVFJGW-ZIAGYGMSSA-N 1 1 348.359 1.881 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCOCC1(C)C ZINC000342965059 444972965 /nfs/dbraw/zinc/97/29/65/444972965.db2.gz NBWPUXXLIQEELM-UHFFFAOYSA-N 1 1 336.392 1.477 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCOCC1(C)C ZINC000342965059 444972968 /nfs/dbraw/zinc/97/29/68/444972968.db2.gz NBWPUXXLIQEELM-UHFFFAOYSA-N 1 1 336.392 1.477 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000341756320 444987494 /nfs/dbraw/zinc/98/74/94/444987494.db2.gz SEYGEXPKJBAKBA-HOTGVXAUSA-N 1 1 347.346 1.704 20 5 EDBDMO CC(=O)N1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000337326094 445034214 /nfs/dbraw/zinc/03/42/14/445034214.db2.gz VTINAGBGHDAFNH-UHFFFAOYSA-N 1 1 348.403 1.866 20 5 EDBDMO Cn1nccc1[C@H]1[C@H](CNc2ccncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000344487833 445005047 /nfs/dbraw/zinc/00/50/47/445005047.db2.gz FYWBDRVQPCFJFP-BLLLJJGKSA-N 1 1 330.392 1.640 20 5 EDBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)NCCF ZINC000337267691 445009652 /nfs/dbraw/zinc/00/96/52/445009652.db2.gz WRPHQDLXFGHAER-QMMMGPOBSA-N 1 1 335.282 1.760 20 5 EDBDMO COc1ccc(NC(=O)CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000330600924 445055458 /nfs/dbraw/zinc/05/54/58/445055458.db2.gz VMIADCSPWRSWTH-VXGBXAGGSA-N 1 1 336.392 1.566 20 5 EDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000344607424 445085375 /nfs/dbraw/zinc/08/53/75/445085375.db2.gz LBOBQICMJWVSCN-ZDUSSCGKSA-N 1 1 337.424 1.763 20 5 EDBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)O1 ZINC000330562052 445036471 /nfs/dbraw/zinc/03/64/71/445036471.db2.gz SXHRZXCEJCTGSZ-VXGBXAGGSA-N 1 1 338.408 1.551 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCCC[C@H]1CCO ZINC000342031246 445133538 /nfs/dbraw/zinc/13/35/38/445133538.db2.gz KPPHEYVMXQTVGY-LSDHHAIUSA-N 1 1 338.404 1.962 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCCC[C@@H]1CCO ZINC000342031240 445134017 /nfs/dbraw/zinc/13/40/17/445134017.db2.gz KPPHEYVMXQTVGY-CABCVRRESA-N 1 1 338.404 1.962 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000339223004 445097598 /nfs/dbraw/zinc/09/75/98/445097598.db2.gz IMOJYGOQPYCAKO-LLVKDONJSA-N 1 1 332.316 1.640 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000339223004 445097602 /nfs/dbraw/zinc/09/76/02/445097602.db2.gz IMOJYGOQPYCAKO-LLVKDONJSA-N 1 1 332.316 1.640 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000341981028 445106445 /nfs/dbraw/zinc/10/64/45/445106445.db2.gz DPBQYBCPYJGYKD-DOTOQJQBSA-N 1 1 336.388 1.837 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[N@H+]1C ZINC000330786796 445140683 /nfs/dbraw/zinc/14/06/83/445140683.db2.gz NZFMMSJZNLCTFN-BETUJISGSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[N@@H+]1C ZINC000330786796 445140686 /nfs/dbraw/zinc/14/06/86/445140686.db2.gz NZFMMSJZNLCTFN-BETUJISGSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000343291667 445183905 /nfs/dbraw/zinc/18/39/05/445183905.db2.gz SLCVXUSTOJSWLL-QWHCGFSZSA-N 1 1 343.387 1.837 20 5 EDBDMO C[C@H]1[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCC[N@H+]1C ZINC000343473927 445229808 /nfs/dbraw/zinc/22/98/08/445229808.db2.gz CMQNVIOZAHMNAN-SWLSCSKDSA-N 1 1 343.387 1.993 20 5 EDBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCC[N@H+]1C ZINC000343488949 445232798 /nfs/dbraw/zinc/23/27/98/445232798.db2.gz ZMMAHJLRSTWWQU-GXSJLCMTSA-N 1 1 328.394 1.137 20 5 EDBDMO C[C@@H]1[C@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCC[N@H+]1C ZINC000343561645 445244545 /nfs/dbraw/zinc/24/45/45/445244545.db2.gz QHIJLJZDTIKIFY-ZYHUDNBSSA-N 1 1 348.359 1.102 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000351883172 445353999 /nfs/dbraw/zinc/35/39/99/445353999.db2.gz NMRBXNCLKAXDAH-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000351883172 445354005 /nfs/dbraw/zinc/35/40/05/445354005.db2.gz NMRBXNCLKAXDAH-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1cc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)[nH]n1 ZINC000362711153 445512544 /nfs/dbraw/zinc/51/25/44/445512544.db2.gz NZZSZSIATPWEGS-CYBMUJFWSA-N 1 1 331.376 1.668 20 5 EDBDMO Cc1cc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n[nH]1 ZINC000362711153 445512547 /nfs/dbraw/zinc/51/25/47/445512547.db2.gz NZZSZSIATPWEGS-CYBMUJFWSA-N 1 1 331.376 1.668 20 5 EDBDMO Cc1cc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n[nH]1 ZINC000362711153 445512549 /nfs/dbraw/zinc/51/25/49/445512549.db2.gz NZZSZSIATPWEGS-CYBMUJFWSA-N 1 1 331.376 1.668 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000360008746 445526001 /nfs/dbraw/zinc/52/60/01/445526001.db2.gz YLXUMQFEXNZVJN-CHWSQXEVSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000360008746 445526005 /nfs/dbraw/zinc/52/60/05/445526005.db2.gz YLXUMQFEXNZVJN-CHWSQXEVSA-N 1 1 341.433 1.973 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000362850670 445579679 /nfs/dbraw/zinc/57/96/79/445579679.db2.gz JHSGQBLFSVJIGX-GFCCVEGCSA-N 1 1 341.375 1.751 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000362850670 445579685 /nfs/dbraw/zinc/57/96/85/445579685.db2.gz JHSGQBLFSVJIGX-GFCCVEGCSA-N 1 1 341.375 1.751 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362762527 445537969 /nfs/dbraw/zinc/53/79/69/445537969.db2.gz KBVGNQVOEBPQRC-SNVBAGLBSA-N 1 1 343.330 1.252 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000353485157 445623369 /nfs/dbraw/zinc/62/33/69/445623369.db2.gz STFYBTXFVJJSNV-NSHDSACASA-N 1 1 337.376 1.777 20 5 EDBDMO CC[N@@H+]1CCO[C@H](CN2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)C1 ZINC000363786642 445875792 /nfs/dbraw/zinc/87/57/92/445875792.db2.gz VHOKHQAXCMHUHK-HNNXBMFYSA-N 1 1 349.435 1.141 20 5 EDBDMO CC[N@H+]1CCO[C@H](CN2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)C1 ZINC000363786642 445875796 /nfs/dbraw/zinc/87/57/96/445875796.db2.gz VHOKHQAXCMHUHK-HNNXBMFYSA-N 1 1 349.435 1.141 20 5 EDBDMO O=C(N[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1)C1CCC1 ZINC000369063090 445903428 /nfs/dbraw/zinc/90/34/28/445903428.db2.gz JQSSFMCLOMNICW-CQSZACIVSA-N 1 1 333.388 1.964 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1)C1CCC1 ZINC000369063090 445903435 /nfs/dbraw/zinc/90/34/35/445903435.db2.gz JQSSFMCLOMNICW-CQSZACIVSA-N 1 1 333.388 1.964 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000362023089 446159498 /nfs/dbraw/zinc/15/94/98/446159498.db2.gz NRGROXNNIHEVFF-SWLSCSKDSA-N 1 1 339.417 1.618 20 5 EDBDMO CC(C)c1ccc(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000366478182 446231484 /nfs/dbraw/zinc/23/14/84/446231484.db2.gz DCOCFAJSMZHDPX-ZIAGYGMSSA-N 1 1 331.372 1.813 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000365673369 446296140 /nfs/dbraw/zinc/29/61/40/446296140.db2.gz QMBLPPQKOGDMNW-ZIAGYGMSSA-N 1 1 333.388 1.886 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000365673369 446296141 /nfs/dbraw/zinc/29/61/41/446296141.db2.gz QMBLPPQKOGDMNW-ZIAGYGMSSA-N 1 1 333.388 1.886 20 5 EDBDMO Cc1nn(C)c(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000376203871 446379333 /nfs/dbraw/zinc/37/93/33/446379333.db2.gz TWMOHYZAKGWMAU-ZDUSSCGKSA-N 1 1 329.360 1.553 20 5 EDBDMO Cc1nn(C)c(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000376203871 446379336 /nfs/dbraw/zinc/37/93/36/446379336.db2.gz TWMOHYZAKGWMAU-ZDUSSCGKSA-N 1 1 329.360 1.553 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000370706405 446395861 /nfs/dbraw/zinc/39/58/61/446395861.db2.gz BESFOPQQZXPPQU-HZPDHXFCSA-N 1 1 331.376 1.774 20 5 EDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000411409553 446526876 /nfs/dbraw/zinc/52/68/76/446526876.db2.gz QQXRYWOCZRTZLQ-QWHCGFSZSA-N 1 1 348.403 1.783 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000411409553 446526880 /nfs/dbraw/zinc/52/68/80/446526880.db2.gz QQXRYWOCZRTZLQ-QWHCGFSZSA-N 1 1 348.403 1.783 20 5 EDBDMO CCC[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411424210 446534236 /nfs/dbraw/zinc/53/42/36/446534236.db2.gz LCZORDJLQZDWPZ-AWEZNQCLSA-N 1 1 334.376 1.524 20 5 EDBDMO CCC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411424210 446534244 /nfs/dbraw/zinc/53/42/44/446534244.db2.gz LCZORDJLQZDWPZ-AWEZNQCLSA-N 1 1 334.376 1.524 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411439479 446544179 /nfs/dbraw/zinc/54/41/79/446544179.db2.gz MSHPPNMJOJTHAB-RYUDHWBXSA-N 1 1 334.376 1.393 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411439479 446544183 /nfs/dbraw/zinc/54/41/83/446544183.db2.gz MSHPPNMJOJTHAB-RYUDHWBXSA-N 1 1 334.376 1.393 20 5 EDBDMO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411574487 446611614 /nfs/dbraw/zinc/61/16/14/446611614.db2.gz VOSYRAGXZZJPKK-OAHLLOKOSA-N 1 1 348.403 1.866 20 5 EDBDMO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411574487 446611615 /nfs/dbraw/zinc/61/16/15/446611615.db2.gz VOSYRAGXZZJPKK-OAHLLOKOSA-N 1 1 348.403 1.866 20 5 EDBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000420439926 446615149 /nfs/dbraw/zinc/61/51/49/446615149.db2.gz GTXQXZOYPLVSMM-GFCCVEGCSA-N 1 1 349.359 1.054 20 5 EDBDMO C[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C[NH3+] ZINC000420409696 446583495 /nfs/dbraw/zinc/58/34/95/446583495.db2.gz QOGNNTOFULVPSX-CHWSQXEVSA-N 1 1 348.403 1.810 20 5 EDBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411665959 446638777 /nfs/dbraw/zinc/63/87/77/446638777.db2.gz UIFYHPAEJZBSIY-DOMZBBRYSA-N 1 1 337.376 1.395 20 5 EDBDMO CC[C@H]([NH3+])CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420469561 446645354 /nfs/dbraw/zinc/64/53/54/446645354.db2.gz PSHCJNAZLIDZAU-ZETCQYMHSA-N 1 1 342.204 1.917 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000368082054 446629251 /nfs/dbraw/zinc/62/92/51/446629251.db2.gz DZLSXMNTMPGUBO-XQQFMLRXSA-N 1 1 346.387 1.298 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000368082054 446629254 /nfs/dbraw/zinc/62/92/54/446629254.db2.gz DZLSXMNTMPGUBO-XQQFMLRXSA-N 1 1 346.387 1.298 20 5 EDBDMO Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371277317 446734714 /nfs/dbraw/zinc/73/47/14/446734714.db2.gz IQCRSUZENRLDFH-GJZGRUSLSA-N 1 1 333.388 1.886 20 5 EDBDMO Cc1ccc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371277317 446734721 /nfs/dbraw/zinc/73/47/21/446734721.db2.gz IQCRSUZENRLDFH-GJZGRUSLSA-N 1 1 333.388 1.886 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000375469045 446824802 /nfs/dbraw/zinc/82/48/02/446824802.db2.gz MOPQMDAFZIGESZ-QGZVFWFLSA-N 1 1 330.388 1.898 20 5 EDBDMO C[C@H]1[C@H](CO)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000412074746 446835511 /nfs/dbraw/zinc/83/55/11/446835511.db2.gz ITIGHROVFHNKDX-JSGCOSHPSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@H]1[C@H](CO)CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000412074746 446835516 /nfs/dbraw/zinc/83/55/16/446835516.db2.gz ITIGHROVFHNKDX-JSGCOSHPSA-N 1 1 333.388 1.577 20 5 EDBDMO CC(C)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(=O)N1 ZINC000412084817 446843551 /nfs/dbraw/zinc/84/35/51/446843551.db2.gz QWFHTTDJPHFBOK-CYBMUJFWSA-N 1 1 348.403 1.547 20 5 EDBDMO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(=O)N1 ZINC000412084817 446843563 /nfs/dbraw/zinc/84/35/63/446843563.db2.gz QWFHTTDJPHFBOK-CYBMUJFWSA-N 1 1 348.403 1.547 20 5 EDBDMO Cc1c(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cccc1[N+](=O)[O-] ZINC000454193885 446803995 /nfs/dbraw/zinc/80/39/95/446803995.db2.gz FFZFFOXJNJITSB-ZDUSSCGKSA-N 1 1 336.392 1.872 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420769785 446807627 /nfs/dbraw/zinc/80/76/27/446807627.db2.gz PQZNXBDEFKQOKS-GFCCVEGCSA-N 1 1 327.406 1.618 20 5 EDBDMO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000375663646 446959908 /nfs/dbraw/zinc/95/99/08/446959908.db2.gz DTTUYZSMINFSEQ-WDEREUQCSA-N 1 1 345.446 1.904 20 5 EDBDMO [NH3+]CC[C@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000443057884 446999911 /nfs/dbraw/zinc/99/99/11/446999911.db2.gz IPHKHBHAXRLEEU-CJNGLKHVSA-N 1 1 332.404 1.761 20 5 EDBDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444659815 447116346 /nfs/dbraw/zinc/11/63/46/447116346.db2.gz IDFKAMOKNJUHCP-HNNXBMFYSA-N 1 1 336.348 1.529 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375831072 447087075 /nfs/dbraw/zinc/08/70/75/447087075.db2.gz MIDAXZPHKRTLJH-GOEBONIOSA-N 1 1 332.404 1.873 20 5 EDBDMO COC(=O)c1cn([C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000368856983 447163241 /nfs/dbraw/zinc/16/32/41/447163241.db2.gz RQXOXCLYMOBTEL-CQSZACIVSA-N 1 1 345.359 1.462 20 5 EDBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000372728698 447251573 /nfs/dbraw/zinc/25/15/73/447251573.db2.gz SJVSEWQIEMFGLI-GFCCVEGCSA-N 1 1 347.419 1.075 20 5 EDBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000372728698 447251577 /nfs/dbraw/zinc/25/15/77/447251577.db2.gz SJVSEWQIEMFGLI-GFCCVEGCSA-N 1 1 347.419 1.075 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425552865 447227620 /nfs/dbraw/zinc/22/76/20/447227620.db2.gz SLQGMFMRYJNQDA-MNOVXSKESA-N 1 1 330.348 1.529 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425552865 447227622 /nfs/dbraw/zinc/22/76/22/447227622.db2.gz SLQGMFMRYJNQDA-MNOVXSKESA-N 1 1 330.348 1.529 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000421709174 447228265 /nfs/dbraw/zinc/22/82/65/447228265.db2.gz CVPKPXQUDICVJA-CQSZACIVSA-N 1 1 343.387 1.947 20 5 EDBDMO COC(=O)c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]1 ZINC000446840325 447258870 /nfs/dbraw/zinc/25/88/70/447258870.db2.gz YWFXZEJGHGXMIX-UHFFFAOYSA-N 1 1 329.316 1.876 20 5 EDBDMO COc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000450539677 447520147 /nfs/dbraw/zinc/52/01/47/447520147.db2.gz KTAXLGBVOZVODC-UWVGGRQHSA-N 1 1 325.340 1.907 20 5 EDBDMO COc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000450539677 447520150 /nfs/dbraw/zinc/52/01/50/447520150.db2.gz KTAXLGBVOZVODC-UWVGGRQHSA-N 1 1 325.340 1.907 20 5 EDBDMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000495639569 447538533 /nfs/dbraw/zinc/53/85/33/447538533.db2.gz JUBOTOCNYDTFLJ-CYBMUJFWSA-N 1 1 339.396 1.734 20 5 EDBDMO CON1CCC([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000459583865 447713942 /nfs/dbraw/zinc/71/39/42/447713942.db2.gz UVUHTASHBIZIGD-UHFFFAOYSA-N 1 1 336.392 1.881 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@]2(CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451899896 447777440 /nfs/dbraw/zinc/77/74/40/447777440.db2.gz LEVFBJUIIUUNEC-SFHVURJKSA-N 1 1 345.399 1.986 20 5 EDBDMO O=C(C[N@H+]1CCC[C@]2(CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451899896 447777445 /nfs/dbraw/zinc/77/74/45/447777445.db2.gz LEVFBJUIIUUNEC-SFHVURJKSA-N 1 1 345.399 1.986 20 5 EDBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000489896458 447878335 /nfs/dbraw/zinc/87/83/35/447878335.db2.gz NTTMKBBUPDMLBU-MRVPVSSYSA-N 1 1 342.402 1.683 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000525819456 448032099 /nfs/dbraw/zinc/03/20/99/448032099.db2.gz OILDAUIJZHAYKX-NSHDSACASA-N 1 1 327.406 1.523 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000526011810 448078665 /nfs/dbraw/zinc/07/86/65/448078665.db2.gz RRZKXBZDYCSWCX-IHRRRGAJSA-N 1 1 335.404 1.612 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000526011810 448078666 /nfs/dbraw/zinc/07/86/66/448078666.db2.gz RRZKXBZDYCSWCX-IHRRRGAJSA-N 1 1 335.404 1.612 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000571155178 448111717 /nfs/dbraw/zinc/11/17/17/448111717.db2.gz WWJFBAMYVOSQLX-KCJUWKMLSA-N 1 1 327.182 1.893 20 5 EDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+]1CCc2sccc2C1 ZINC000505360617 448115215 /nfs/dbraw/zinc/11/52/15/448115215.db2.gz AGFSZYPRCIBADO-SECBINFHSA-N 1 1 335.389 1.556 20 5 EDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@H+]1CCc2sccc2C1 ZINC000505360617 448115220 /nfs/dbraw/zinc/11/52/20/448115220.db2.gz AGFSZYPRCIBADO-SECBINFHSA-N 1 1 335.389 1.556 20 5 EDBDMO CNc1nccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000557564405 448186188 /nfs/dbraw/zinc/18/61/88/448186188.db2.gz ITKQRRYAOQHPLA-LBPRGKRZSA-N 1 1 349.435 2.272 20 5 EDBDMO CC(C)Oc1nc(NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000564667601 448334469 /nfs/dbraw/zinc/33/44/69/448334469.db2.gz MESKIAWIZGRSQK-UHFFFAOYSA-N 1 1 326.422 2.238 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000577844127 448400744 /nfs/dbraw/zinc/40/07/44/448400744.db2.gz CHHNUXXDJLCQMQ-CQSZACIVSA-N 1 1 347.419 1.620 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000591735087 448476900 /nfs/dbraw/zinc/47/69/00/448476900.db2.gz QHKRTLAJDRMNIE-GOEBONIOSA-N 1 1 335.404 1.408 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000591735087 448476903 /nfs/dbraw/zinc/47/69/03/448476903.db2.gz QHKRTLAJDRMNIE-GOEBONIOSA-N 1 1 335.404 1.408 20 5 EDBDMO CC[N@@H+](C)CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572899430 448492744 /nfs/dbraw/zinc/49/27/44/448492744.db2.gz OAPCRXFJPQJPEO-UHFFFAOYSA-N 1 1 333.392 1.870 20 5 EDBDMO CNc1nccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000566748913 448551951 /nfs/dbraw/zinc/55/19/51/448551951.db2.gz QFOOREHXJSPREM-CQSZACIVSA-N 1 1 341.371 1.818 20 5 EDBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000518307125 448662607 /nfs/dbraw/zinc/66/26/07/448662607.db2.gz NRXDFXKAAYIHML-CVEARBPZSA-N 1 1 348.403 1.900 20 5 EDBDMO COC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131018 448700936 /nfs/dbraw/zinc/70/09/36/448700936.db2.gz PUAPBCNZZCDJKM-BZUAXINKSA-N 1 1 338.404 1.708 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000520953088 448940977 /nfs/dbraw/zinc/94/09/77/448940977.db2.gz SVBARBXKLHIWLX-HNNXBMFYSA-N 1 1 329.360 1.337 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000521929401 449029271 /nfs/dbraw/zinc/02/92/71/449029271.db2.gz RHFQWFPEAZTASV-CYBMUJFWSA-N 1 1 341.433 1.399 20 5 EDBDMO CC(C)(C(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000590037691 449099288 /nfs/dbraw/zinc/09/92/88/449099288.db2.gz WHPQGIMXVDHHLS-UHFFFAOYSA-N 1 1 349.431 1.788 20 5 EDBDMO CC(C)(C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000590037691 449099294 /nfs/dbraw/zinc/09/92/94/449099294.db2.gz WHPQGIMXVDHHLS-UHFFFAOYSA-N 1 1 349.431 1.788 20 5 EDBDMO CO[C@]1(CO)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595657985 449101624 /nfs/dbraw/zinc/10/16/24/449101624.db2.gz GIPOMWRKLLRWFS-MRXNPFEDSA-N 1 1 337.376 1.397 20 5 EDBDMO C[N@H+]1CCC[C@H](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593605690 449103168 /nfs/dbraw/zinc/10/31/68/449103168.db2.gz JOUXDDGGJCZYDS-LLVKDONJSA-N 1 1 328.394 1.000 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590281836 449124091 /nfs/dbraw/zinc/12/40/91/449124091.db2.gz SEDABKKRSXXLOV-DOMZBBRYSA-N 1 1 346.387 1.258 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590282239 449124708 /nfs/dbraw/zinc/12/47/08/449124708.db2.gz UPPDUIOTYHGNPS-BXUZGUMPSA-N 1 1 332.360 1.004 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000595766820 449155899 /nfs/dbraw/zinc/15/58/99/449155899.db2.gz RGPBWRICMWWPOS-SMDDNHRTSA-N 1 1 337.376 1.777 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000595766820 449155901 /nfs/dbraw/zinc/15/59/01/449155901.db2.gz RGPBWRICMWWPOS-SMDDNHRTSA-N 1 1 337.376 1.777 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000611088060 449165053 /nfs/dbraw/zinc/16/50/53/449165053.db2.gz AVFFRJGJOWWYSU-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000611088060 449165059 /nfs/dbraw/zinc/16/50/59/449165059.db2.gz AVFFRJGJOWWYSU-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO COc1ccc(OCC[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595742101 449141786 /nfs/dbraw/zinc/14/17/86/449141786.db2.gz NWLKPZVIXNADSL-TZMCWYRMSA-N 1 1 349.387 1.583 20 5 EDBDMO O=C1CCCN1C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595834069 449197146 /nfs/dbraw/zinc/19/71/46/449197146.db2.gz YDSVUZJMGVQOBR-AWEZNQCLSA-N 1 1 333.388 1.918 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000604278071 449201192 /nfs/dbraw/zinc/20/11/92/449201192.db2.gz AQQGNAJOZSYKDN-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)c1C ZINC000604278071 449201197 /nfs/dbraw/zinc/20/11/97/449201197.db2.gz AQQGNAJOZSYKDN-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO C[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000604199738 449190420 /nfs/dbraw/zinc/19/04/20/449190420.db2.gz UEGUJWJOJYUFNS-LBPRGKRZSA-N 1 1 329.360 1.605 20 5 EDBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000590558057 449190727 /nfs/dbraw/zinc/19/07/27/449190727.db2.gz MNGTYMZSPIQCFE-UHFFFAOYSA-N 1 1 339.779 1.652 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H]2COC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595826925 449190893 /nfs/dbraw/zinc/19/08/93/449190893.db2.gz BDPLGQHLCZDFNG-KGLIPLIRSA-N 1 1 331.372 1.452 20 5 EDBDMO CCN1C(=O)[C@@H]2C[N@H+](CC=Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000611285361 449250738 /nfs/dbraw/zinc/25/07/38/449250738.db2.gz JWZBAIZEZHUZJS-PKYBCLHXSA-N 1 1 344.371 1.576 20 5 EDBDMO CCN1C(=O)[C@@H]2C[N@@H+](CC=Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000611285361 449250743 /nfs/dbraw/zinc/25/07/43/449250743.db2.gz JWZBAIZEZHUZJS-PKYBCLHXSA-N 1 1 344.371 1.576 20 5 EDBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000598193993 449289649 /nfs/dbraw/zinc/28/96/49/449289649.db2.gz CUHFHKILOYYRJC-AWEZNQCLSA-N 1 1 343.387 1.707 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCCCC2)O1 ZINC000594057708 449342478 /nfs/dbraw/zinc/34/24/78/449342478.db2.gz LVBYWHWTHGORHH-DZGCQCFKSA-N 1 1 338.408 1.576 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600472047 449396899 /nfs/dbraw/zinc/39/68/99/449396899.db2.gz MJZBJDNJVAOFJT-AWEZNQCLSA-N 1 1 335.408 1.623 20 5 EDBDMO C[C@H](C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000598450914 449401063 /nfs/dbraw/zinc/40/10/63/449401063.db2.gz JZLWSXAEIDFWKV-SUMWQHHRSA-N 1 1 347.415 1.756 20 5 EDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600537152 449430095 /nfs/dbraw/zinc/43/00/95/449430095.db2.gz YFVALOIJZNTZPZ-GFCCVEGCSA-N 1 1 347.293 1.410 20 5 EDBDMO C[C@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000594345072 449459474 /nfs/dbraw/zinc/45/94/74/449459474.db2.gz LXBVCZPCYWIGJE-NSHDSACASA-N 1 1 347.350 1.909 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000596539242 449545741 /nfs/dbraw/zinc/54/57/41/449545741.db2.gz NIYHAYNPKDXUEH-CQSZACIVSA-N 1 1 349.387 1.417 20 5 EDBDMO O=[N+]([O-])c1c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)nc2sccn21 ZINC000596539238 449545919 /nfs/dbraw/zinc/54/59/19/449545919.db2.gz NFQAIJSSELLUIP-NSHDSACASA-N 1 1 337.405 1.339 20 5 EDBDMO O=[N+]([O-])c1cnccc1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000596422794 449495916 /nfs/dbraw/zinc/49/59/16/449495916.db2.gz GKPYOZQVVZUJRE-OAHLLOKOSA-N 1 1 328.372 1.590 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602310538 449505187 /nfs/dbraw/zinc/50/51/87/449505187.db2.gz VUUQBRKEISYIKK-ZDUSSCGKSA-N 1 1 329.360 1.789 20 5 EDBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000602429789 449579840 /nfs/dbraw/zinc/57/98/40/449579840.db2.gz ZDGKHMYVPYFMLL-JTQLQIEISA-N 1 1 338.307 1.890 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCC[N@@H+](CC4CC4)C3)nn21 ZINC000596570018 449556386 /nfs/dbraw/zinc/55/63/86/449556386.db2.gz GXJBKEOZOOGZJJ-CYBMUJFWSA-N 1 1 330.392 2.171 20 5 EDBDMO C[C@@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592169 449586743 /nfs/dbraw/zinc/58/67/43/449586743.db2.gz NQCCSPBEQXASLG-SDDRHHMPSA-N 1 1 333.392 1.803 20 5 EDBDMO C[C@@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592169 449586745 /nfs/dbraw/zinc/58/67/45/449586745.db2.gz NQCCSPBEQXASLG-SDDRHHMPSA-N 1 1 333.392 1.803 20 5 EDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594601538 449590743 /nfs/dbraw/zinc/59/07/43/449590743.db2.gz CLACCAYKQOYYPH-NWDGAFQWSA-N 1 1 344.371 1.407 20 5 EDBDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594779911 449691743 /nfs/dbraw/zinc/69/17/43/449691743.db2.gz UKKVBUCUUWTFHW-NSHDSACASA-N 1 1 330.410 1.389 20 5 EDBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000602709124 449761458 /nfs/dbraw/zinc/76/14/58/449761458.db2.gz BELQRFCGXYWMIK-CYBMUJFWSA-N 1 1 345.321 1.864 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCc4n[nH]cc4C3)CC2)cn1 ZINC000602719827 449766540 /nfs/dbraw/zinc/76/65/40/449766540.db2.gz AIONQGCWSSWWHC-UHFFFAOYSA-N 1 1 328.376 1.740 20 5 EDBDMO NS(=O)(=O)c1cccc(N[C@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000612657668 449818695 /nfs/dbraw/zinc/81/86/95/449818695.db2.gz QJUCACNOJOUROS-NSHDSACASA-N 1 1 340.405 1.138 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000602828811 449839496 /nfs/dbraw/zinc/83/94/96/449839496.db2.gz UZBIBFDWEWXONS-KRWDZBQOSA-N 1 1 343.431 1.958 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000602828811 449839508 /nfs/dbraw/zinc/83/95/08/449839508.db2.gz UZBIBFDWEWXONS-KRWDZBQOSA-N 1 1 343.431 1.958 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOC3CCOCC3)CC2)cn1 ZINC000599260385 449839586 /nfs/dbraw/zinc/83/95/86/449839586.db2.gz ZVIZVOHTNYXWKV-UHFFFAOYSA-N 1 1 336.392 1.307 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000595021626 449843803 /nfs/dbraw/zinc/84/38/03/449843803.db2.gz QLQMNLBQWAEJNE-SNVBAGLBSA-N 1 1 330.344 1.948 20 5 EDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@H](O)C2)nc1-c1ccccc1 ZINC000599199666 449793602 /nfs/dbraw/zinc/79/36/02/449793602.db2.gz OWVODEIOEZTBCI-AWEZNQCLSA-N 1 1 328.372 2.135 20 5 EDBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000612616848 449800789 /nfs/dbraw/zinc/80/07/89/449800789.db2.gz OJZHKEBJOVEHDK-TVQRCGJNSA-N 1 1 326.328 1.575 20 5 EDBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000612616848 449800794 /nfs/dbraw/zinc/80/07/94/449800794.db2.gz OJZHKEBJOVEHDK-TVQRCGJNSA-N 1 1 326.328 1.575 20 5 EDBDMO CCN(C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@H]1CC[N@@H+](C)C1 ZINC000595101269 449868279 /nfs/dbraw/zinc/86/82/79/449868279.db2.gz CRULANVECVRANE-ZDUSSCGKSA-N 1 1 348.403 1.703 20 5 EDBDMO C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](CO)C1 ZINC000602932364 449932119 /nfs/dbraw/zinc/93/21/19/449932119.db2.gz VWNJEKXRVTUYMZ-DOMZBBRYSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](CO)C1 ZINC000602932364 449932125 /nfs/dbraw/zinc/93/21/25/449932125.db2.gz VWNJEKXRVTUYMZ-DOMZBBRYSA-N 1 1 333.388 1.577 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC000599395483 449940695 /nfs/dbraw/zinc/94/06/95/449940695.db2.gz DQVKLVQOAOMTDT-KRWDZBQOSA-N 1 1 346.387 1.445 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602951917 449954165 /nfs/dbraw/zinc/95/41/65/449954165.db2.gz LZUSNBWZBOCJQP-STQMWFEESA-N 1 1 335.408 1.914 20 5 EDBDMO C[N@H+]1CCCC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599415250 449961094 /nfs/dbraw/zinc/96/10/94/449961094.db2.gz LVYMQXLMFYAOCH-CQSZACIVSA-N 1 1 341.433 1.746 20 5 EDBDMO COc1ccc(OCC[N@@H+]2C[C@@H](OC)C[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000602964004 449965855 /nfs/dbraw/zinc/96/58/55/449965855.db2.gz LTIZFPBXMGJDDU-BBRMVZONSA-N 1 1 340.376 1.454 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000603111619 450074394 /nfs/dbraw/zinc/07/43/94/450074394.db2.gz SRCCPWRKVLQUHV-CABCVRRESA-N 1 1 348.403 1.527 20 5 EDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601612161 450111619 /nfs/dbraw/zinc/11/16/19/450111619.db2.gz JZDXHAAVWRJNBB-NSHDSACASA-N 1 1 325.340 1.311 20 5 EDBDMO Cc1noc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[N+](=O)[O-] ZINC000595450191 450151564 /nfs/dbraw/zinc/15/15/64/450151564.db2.gz SEOPEVVXGOXGKE-INIZCTEOSA-N 1 1 328.328 1.987 20 5 EDBDMO C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000597624356 450153808 /nfs/dbraw/zinc/15/38/08/450153808.db2.gz HQTBHDMCBUQDDG-XJKSGUPXSA-N 1 1 332.404 1.204 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H](CCO)C1 ZINC000610213830 450154574 /nfs/dbraw/zinc/15/45/74/450154574.db2.gz USEZOMPIRDVSJC-CYBMUJFWSA-N 1 1 349.387 1.987 20 5 EDBDMO O=[N+]([O-])c1ccc(Cn2cc(C[N@H+]3CCC[C@H]3CO)nn2)c(F)c1 ZINC000603224980 450157128 /nfs/dbraw/zinc/15/71/28/450157128.db2.gz XVMNCLKTMLICKY-AWEZNQCLSA-N 1 1 335.339 1.330 20 5 EDBDMO O=[N+]([O-])c1ccc(Cn2cc(C[N@@H+]3CCC[C@H]3CO)nn2)c(F)c1 ZINC000603224980 450157135 /nfs/dbraw/zinc/15/71/35/450157135.db2.gz XVMNCLKTMLICKY-AWEZNQCLSA-N 1 1 335.339 1.330 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599669049 450140723 /nfs/dbraw/zinc/14/07/23/450140723.db2.gz ATQGMYBVMNQIGS-WZRBSPASSA-N 1 1 337.376 1.633 20 5 EDBDMO Cc1cnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000610284082 450182031 /nfs/dbraw/zinc/18/20/31/450182031.db2.gz PBPMLQBCSCLALG-UHFFFAOYSA-N 1 1 330.392 1.744 20 5 EDBDMO Cc1cnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000610284082 450182037 /nfs/dbraw/zinc/18/20/37/450182037.db2.gz PBPMLQBCSCLALG-UHFFFAOYSA-N 1 1 330.392 1.744 20 5 EDBDMO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1C[N@H+](C)CCO1 ZINC000610926897 450381280 /nfs/dbraw/zinc/38/12/80/450381280.db2.gz SPDAHKANQBCNCS-BONVTDFDSA-N 1 1 332.360 1.525 20 5 EDBDMO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000610926897 450381283 /nfs/dbraw/zinc/38/12/83/450381283.db2.gz SPDAHKANQBCNCS-BONVTDFDSA-N 1 1 332.360 1.525 20 5 EDBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184403585 529146990 /nfs/dbraw/zinc/14/69/90/529146990.db2.gz HZAPAXWRFOQRBJ-ZDUSSCGKSA-N 1 1 349.435 1.180 20 5 EDBDMO C[C@H](NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000729497271 578577836 /nfs/dbraw/zinc/57/78/36/578577836.db2.gz PYZKETXZIXDDIL-RCBQFDQVSA-N 1 1 348.403 1.818 20 5 EDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000734447432 578814775 /nfs/dbraw/zinc/81/47/75/578814775.db2.gz OKGJNOSCVQIXFS-AWEZNQCLSA-N 1 1 349.387 1.586 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000745942247 579568065 /nfs/dbraw/zinc/56/80/65/579568065.db2.gz CAZJQHQMQUNNGW-SNVBAGLBSA-N 1 1 331.369 1.354 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000746002305 579569350 /nfs/dbraw/zinc/56/93/50/579569350.db2.gz JXUNQJJUNRLYNR-SNVBAGLBSA-N 1 1 330.344 1.625 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000746002305 579569351 /nfs/dbraw/zinc/56/93/51/579569351.db2.gz JXUNQJJUNRLYNR-SNVBAGLBSA-N 1 1 330.344 1.625 20 5 EDBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000746883054 579614329 /nfs/dbraw/zinc/61/43/29/579614329.db2.gz PMNPNEVKMLIINW-LBPRGKRZSA-N 1 1 329.360 1.297 20 5 EDBDMO C[C@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000777832361 580451569 /nfs/dbraw/zinc/45/15/69/580451569.db2.gz MUGGUCHSUMOWDB-JTQLQIEISA-N 1 1 344.209 1.860 20 5 EDBDMO C[C@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000777832361 580451570 /nfs/dbraw/zinc/45/15/70/580451570.db2.gz MUGGUCHSUMOWDB-JTQLQIEISA-N 1 1 344.209 1.860 20 5 EDBDMO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)c21 ZINC000754026874 579894266 /nfs/dbraw/zinc/89/42/66/579894266.db2.gz VVTWYCHTUGPCLC-VXGBXAGGSA-N 1 1 329.360 1.813 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000765972788 580155510 /nfs/dbraw/zinc/15/55/10/580155510.db2.gz TUNSZVDTUOHARY-LBPRGKRZSA-N 1 1 334.332 1.592 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCN(CC(F)F)CC2)cc1 ZINC000776597261 580423498 /nfs/dbraw/zinc/42/34/98/580423498.db2.gz IOJUSKRQFLEYRQ-AWEZNQCLSA-N 1 1 329.347 1.901 20 5 EDBDMO O=C1NCC2(CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)O1 ZINC000782003992 580563605 /nfs/dbraw/zinc/56/36/05/580563605.db2.gz LDAYNYGOHAYAAF-UHFFFAOYSA-N 1 1 349.343 1.536 20 5 EDBDMO CC(C)[C@@H]1CC(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000782858721 580586354 /nfs/dbraw/zinc/58/63/54/580586354.db2.gz CNSLHCBNFPSZJV-CYBMUJFWSA-N 1 1 335.408 1.890 20 5 EDBDMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000792019756 580807983 /nfs/dbraw/zinc/80/79/83/580807983.db2.gz HYCIKLUQWBBMEE-UHFFFAOYSA-N 1 1 336.392 1.563 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000893266848 590744618 /nfs/dbraw/zinc/74/46/18/590744618.db2.gz UVJPMSWICXDVLZ-PBHICJAKSA-N 1 1 332.404 1.730 20 5 EDBDMO CN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)CC1 ZINC000888998925 590753698 /nfs/dbraw/zinc/75/36/98/590753698.db2.gz RBBUIOUEWUWTDK-YVMONPNESA-N 1 1 332.404 1.314 20 5 EDBDMO COc1ccc(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000892211683 590865866 /nfs/dbraw/zinc/86/58/66/590865866.db2.gz LBDYLTZEXRWARW-OCCSQVGLSA-N 1 1 334.376 1.449 20 5 EDBDMO CCOCC[NH+]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000891575755 591132409 /nfs/dbraw/zinc/13/24/09/591132409.db2.gz HAWQREMIDZNDAB-UHFFFAOYSA-N 1 1 339.392 1.463 20 5 EDBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(COCCO)CC2)cc1Cl ZINC000895830222 591284297 /nfs/dbraw/zinc/28/42/97/591284297.db2.gz RVTKWDOPOZHPBC-UHFFFAOYSA-N 1 1 344.795 1.584 20 5 EDBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1C ZINC000894397078 591301087 /nfs/dbraw/zinc/30/10/87/591301087.db2.gz DINYMJDNPJPCRT-CYBMUJFWSA-N 1 1 349.387 1.335 20 5 EDBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1C ZINC000894397078 591301088 /nfs/dbraw/zinc/30/10/88/591301088.db2.gz DINYMJDNPJPCRT-CYBMUJFWSA-N 1 1 349.387 1.335 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1C ZINC000896212975 591389759 /nfs/dbraw/zinc/38/97/59/591389759.db2.gz RKAMUZOSTYNUQF-HOCLYGCPSA-N 1 1 347.415 1.883 20 5 EDBDMO C[N@@H+]1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])C[C@H]1CO ZINC000894882536 591455038 /nfs/dbraw/zinc/45/50/38/591455038.db2.gz XSYCADFPXKKIMP-JTQLQIEISA-N 1 1 336.779 1.909 20 5 EDBDMO C[N@H+]1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])C[C@H]1CO ZINC000894882536 591455039 /nfs/dbraw/zinc/45/50/39/591455039.db2.gz XSYCADFPXKKIMP-JTQLQIEISA-N 1 1 336.779 1.909 20 5 EDBDMO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896536071 591501047 /nfs/dbraw/zinc/50/10/47/591501047.db2.gz UXVFHBKPZHQWDZ-VJUNAUMWSA-N 1 1 346.431 1.449 20 5 EDBDMO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1C[N@@H+](C)CCN1C ZINC000896570870 591531375 /nfs/dbraw/zinc/53/13/75/591531375.db2.gz FWDAMOVDYXDJJP-MEDUHNTESA-N 1 1 345.403 1.440 20 5 EDBDMO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CN(C)CC[N@@H+]1C ZINC000896570870 591531378 /nfs/dbraw/zinc/53/13/78/591531378.db2.gz FWDAMOVDYXDJJP-MEDUHNTESA-N 1 1 345.403 1.440 20 5 EDBDMO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CN(C)CC[N@H+]1C ZINC000896570870 591531381 /nfs/dbraw/zinc/53/13/81/591531381.db2.gz FWDAMOVDYXDJJP-MEDUHNTESA-N 1 1 345.403 1.440 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000900801822 592143093 /nfs/dbraw/zinc/14/30/93/592143093.db2.gz DZDJDJZYLBEQSY-GXFFZTMASA-N 1 1 340.811 1.612 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1C ZINC000908026684 592271988 /nfs/dbraw/zinc/27/19/88/592271988.db2.gz ATZGGZJQEXNQRF-CQSZACIVSA-N 1 1 332.404 1.331 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2nc3c(s2)COCC3)c1 ZINC000905621365 592587854 /nfs/dbraw/zinc/58/78/54/592587854.db2.gz OJTSRGMDQMUJJN-CYBMUJFWSA-N 1 1 335.385 1.947 20 5 EDBDMO C[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000912031375 593050339 /nfs/dbraw/zinc/05/03/39/593050339.db2.gz UCNQHJPQCHTDKY-ZDUSSCGKSA-N 1 1 337.424 1.715 20 5 EDBDMO COC[C@@H]1CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840009086 593344484 /nfs/dbraw/zinc/34/44/84/593344484.db2.gz ZHTHNZHQAWISFE-MLGOLLRUSA-N 1 1 335.360 1.458 20 5 EDBDMO COC[C@@H]1CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840009086 593344486 /nfs/dbraw/zinc/34/44/86/593344486.db2.gz ZHTHNZHQAWISFE-MLGOLLRUSA-N 1 1 335.360 1.458 20 5 EDBDMO COC(=O)[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+](C)C1 ZINC000839630864 593355393 /nfs/dbraw/zinc/35/53/93/593355393.db2.gz QEGYIVYPJZDAKF-GFCCVEGCSA-N 1 1 341.795 1.785 20 5 EDBDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000803858393 593369307 /nfs/dbraw/zinc/36/93/07/593369307.db2.gz FBZJIADARYNTBI-ZDUSSCGKSA-N 1 1 337.376 1.564 20 5 EDBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000811600672 593474957 /nfs/dbraw/zinc/47/49/57/593474957.db2.gz KNGRKWXKGZYQDL-BLLLJJGKSA-N 1 1 348.403 1.933 20 5 EDBDMO CN1CC[C@@H](C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1=O ZINC000813172152 593521565 /nfs/dbraw/zinc/52/15/65/593521565.db2.gz AWKPGYQMDCGNPX-LSDHHAIUSA-N 1 1 347.371 1.191 20 5 EDBDMO CN1CC[C@@H](C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1=O ZINC000813172152 593521566 /nfs/dbraw/zinc/52/15/66/593521566.db2.gz AWKPGYQMDCGNPX-LSDHHAIUSA-N 1 1 347.371 1.191 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000821231416 593993347 /nfs/dbraw/zinc/99/33/47/593993347.db2.gz CKKCMNOCQRZLRC-UHFFFAOYSA-N 1 1 335.408 1.577 20 5 EDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000826673373 594551820 /nfs/dbraw/zinc/55/18/20/594551820.db2.gz JBPZXXAJZUSNBR-CQSZACIVSA-N 1 1 335.408 1.705 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CC[C@@H]21 ZINC000827328295 594661573 /nfs/dbraw/zinc/66/15/73/594661573.db2.gz DPIKTAJALZKQFG-FZMZJTMJSA-N 1 1 347.371 1.532 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000827330788 594661735 /nfs/dbraw/zinc/66/17/35/594661735.db2.gz RSLURLAWVKHSQP-ZIAGYGMSSA-N 1 1 335.408 1.351 20 5 EDBDMO CCc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000827492492 594677000 /nfs/dbraw/zinc/67/70/00/594677000.db2.gz XZGAJSWXLJJLQF-GFCCVEGCSA-N 1 1 341.433 1.920 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000832048651 594722105 /nfs/dbraw/zinc/72/21/05/594722105.db2.gz WPMXNGPMNKGARG-HIFRSBDPSA-N 1 1 336.392 1.799 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836202742 594937886 /nfs/dbraw/zinc/93/78/86/594937886.db2.gz LVDZLSYMKXWEOD-SNVBAGLBSA-N 1 1 342.783 1.779 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836202742 594937889 /nfs/dbraw/zinc/93/78/89/594937889.db2.gz LVDZLSYMKXWEOD-SNVBAGLBSA-N 1 1 342.783 1.779 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836367160 594956024 /nfs/dbraw/zinc/95/60/24/594956024.db2.gz VJSLDFGFRGICFU-SNVBAGLBSA-N 1 1 342.783 1.779 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836367160 594956027 /nfs/dbraw/zinc/95/60/27/594956027.db2.gz VJSLDFGFRGICFU-SNVBAGLBSA-N 1 1 342.783 1.779 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000843486543 595126763 /nfs/dbraw/zinc/12/67/63/595126763.db2.gz ICMBVXPBTYRLBZ-AWEZNQCLSA-N 1 1 340.311 1.585 20 5 EDBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000843117539 595290933 /nfs/dbraw/zinc/29/09/33/595290933.db2.gz KRCYYSODEWXJAT-LSDHHAIUSA-N 1 1 348.403 1.711 20 5 EDBDMO COCC[N@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000844431748 595342671 /nfs/dbraw/zinc/34/26/71/595342671.db2.gz NKKKQZQVEJBGPN-INIZCTEOSA-N 1 1 337.420 1.671 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000848593144 595412527 /nfs/dbraw/zinc/41/25/27/595412527.db2.gz YWWIIEMKVHEYTA-PHIMTYICSA-N 1 1 341.314 1.586 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000860278895 595634281 /nfs/dbraw/zinc/63/42/81/595634281.db2.gz UXBJQNGOQNNIFG-LLVKDONJSA-N 1 1 341.795 1.777 20 5 EDBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000855361602 595685408 /nfs/dbraw/zinc/68/54/08/595685408.db2.gz BNWJYFMZGZFJAL-GFCCVEGCSA-N 1 1 336.348 1.978 20 5 EDBDMO Cc1nn(CN2CC[NH+]([C@@H]3CCOC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000853554098 595798604 /nfs/dbraw/zinc/79/86/04/595798604.db2.gz UZBBANMJBNUTNH-CYBMUJFWSA-N 1 1 346.391 1.012 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000856073182 595888133 /nfs/dbraw/zinc/88/81/33/595888133.db2.gz KSYSIBFHBBQBSW-WBMJQRKESA-N 1 1 346.387 1.688 20 5 EDBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000861191028 595913512 /nfs/dbraw/zinc/91/35/12/595913512.db2.gz JYXLZNHGUKNOAC-UHFFFAOYSA-N 1 1 327.768 1.700 20 5 EDBDMO O=C(NCC[N@H+]1CCCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000861191028 595913516 /nfs/dbraw/zinc/91/35/16/595913516.db2.gz JYXLZNHGUKNOAC-UHFFFAOYSA-N 1 1 327.768 1.700 20 5 EDBDMO C[C@@H](O)C[NH+]1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856728779 596063054 /nfs/dbraw/zinc/06/30/54/596063054.db2.gz HKKKDHLGBHLNGH-SNVBAGLBSA-N 1 1 344.209 1.860 20 5 EDBDMO O=[N+]([O-])c1ccc(Cn2cc(CCC[NH+]3CCOCC3)nn2)cc1 ZINC000864627986 596289506 /nfs/dbraw/zinc/28/95/06/596289506.db2.gz XEQRFNBGWWFVRV-UHFFFAOYSA-N 1 1 331.376 1.499 20 5 EDBDMO COC(=O)[C@@]1(OC)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000863296113 596541822 /nfs/dbraw/zinc/54/18/22/596541822.db2.gz IRDUIFKVPLIYAX-OAHLLOKOSA-N 1 1 334.332 1.166 20 5 EDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000863296113 596541823 /nfs/dbraw/zinc/54/18/23/596541823.db2.gz IRDUIFKVPLIYAX-OAHLLOKOSA-N 1 1 334.332 1.166 20 5 EDBDMO O=[N+]([O-])c1ccc2nccc(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)c2c1 ZINC000865484765 596588090 /nfs/dbraw/zinc/58/80/90/596588090.db2.gz ISILLXAVMVEBGI-KGLIPLIRSA-N 1 1 328.372 1.840 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868356070 596798919 /nfs/dbraw/zinc/79/89/19/596798919.db2.gz VIWYOEGVBNANLO-UHFFFAOYSA-N 1 1 338.408 1.671 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c([N+](=O)[O-])s1 ZINC000872665268 597021097 /nfs/dbraw/zinc/02/10/97/597021097.db2.gz PFMGMBMAHUSQAQ-QWRGUYRKSA-N 1 1 345.446 1.822 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c([N+](=O)[O-])s1 ZINC000872665268 597021098 /nfs/dbraw/zinc/02/10/98/597021098.db2.gz PFMGMBMAHUSQAQ-QWRGUYRKSA-N 1 1 345.446 1.822 20 5 EDBDMO CC(C)[C@H]1CN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@H+]1C ZINC000872738079 597053438 /nfs/dbraw/zinc/05/34/38/597053438.db2.gz DJQMKOOZGYGZQO-CQSZACIVSA-N 1 1 346.387 1.420 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)NOC)CC1 ZINC000877786589 597556599 /nfs/dbraw/zinc/55/65/99/597556599.db2.gz PDKNUQCGFZWPJV-UHFFFAOYSA-N 1 1 337.376 1.883 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879576461 597639228 /nfs/dbraw/zinc/63/92/28/597639228.db2.gz SKPAPRLSBKFFDR-UONOGXRCSA-N 1 1 332.404 1.868 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000879576903 597639892 /nfs/dbraw/zinc/63/98/92/597639892.db2.gz YUMHYSDFZGQTOZ-GDBMZVCRSA-N 1 1 344.415 1.510 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000879576907 597639956 /nfs/dbraw/zinc/63/99/56/597639956.db2.gz YUMHYSDFZGQTOZ-ZBFHGGJFSA-N 1 1 344.415 1.510 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879245262 597863785 /nfs/dbraw/zinc/86/37/85/597863785.db2.gz XCAWDLOLTLDQKC-SJLPKXTDSA-N 1 1 343.383 1.955 20 5 EDBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000880328341 597902659 /nfs/dbraw/zinc/90/26/59/597902659.db2.gz ARGZTXQBWUCLBK-LXZKKBNFSA-N 1 1 334.372 1.903 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CCOC[C@@H]2OC)c1 ZINC000880436458 597934259 /nfs/dbraw/zinc/93/42/59/597934259.db2.gz WKSHHARYQVENGU-CABCVRRESA-N 1 1 338.360 1.617 20 5 EDBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000153851739 696622515 /nfs/dbraw/zinc/62/25/15/696622515.db2.gz NDFKSTPFWJEHLK-AWEZNQCLSA-N 1 1 336.348 1.915 20 5 EDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000153851739 696622516 /nfs/dbraw/zinc/62/25/16/696622516.db2.gz NDFKSTPFWJEHLK-AWEZNQCLSA-N 1 1 336.348 1.915 20 5 EDBDMO C[C@@H](NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000916842545 696797111 /nfs/dbraw/zinc/79/71/11/696797111.db2.gz NRIFCMFJWIPZDT-WQVCFCJDSA-N 1 1 348.403 1.818 20 5 EDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1cncc(F)c1 ZINC001031606815 697310715 /nfs/dbraw/zinc/31/07/15/697310715.db2.gz XIZDYSNLVFOJJB-UHFFFAOYSA-N 1 1 344.346 1.991 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1cncnc1 ZINC001031627279 697364463 /nfs/dbraw/zinc/36/44/63/697364463.db2.gz HTSFGEMBVJITIS-UHFFFAOYSA-N 1 1 327.344 1.247 20 5 EDBDMO Cc1cncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000940108125 700220319 /nfs/dbraw/zinc/22/03/19/700220319.db2.gz VUFGWYBRMQGVRJ-HUUCEWRRSA-N 1 1 332.404 1.526 20 5 EDBDMO Cc1nc[nH]c1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001032229627 704966320 /nfs/dbraw/zinc/96/63/20/704966320.db2.gz BGLUQWAXGMBKEU-UHFFFAOYSA-N 1 1 329.360 1.488 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CNC(=O)c2ccoc2)CC1 ZINC001001196034 708109760 /nfs/dbraw/zinc/10/97/60/708109760.db2.gz LMQCKVKZAWYLGI-UHFFFAOYSA-N 1 1 347.375 1.563 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034643415 710319415 /nfs/dbraw/zinc/31/94/15/710319415.db2.gz OOYBWDVXPDLLBU-KBUPBQIOSA-N 1 1 336.367 1.403 20 5 EDBDMO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1cnon1 ZINC001003818242 710603931 /nfs/dbraw/zinc/60/39/31/710603931.db2.gz YYGMEGLRBZZTPN-UHFFFAOYSA-N 1 1 331.332 1.372 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000175102912 231384843 /nfs/dbraw/zinc/38/48/43/231384843.db2.gz KDVKDLDIFABUDD-GFCCVEGCSA-N 1 1 341.433 1.973 20 5 EDBDMO COc1cc(C(=O)N2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000559259508 306252262 /nfs/dbraw/zinc/25/22/62/306252262.db2.gz ZZLRBUHSCKHMEY-UHFFFAOYSA-N 1 1 337.376 1.778 20 5 EDBDMO COc1cc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000559259508 306252263 /nfs/dbraw/zinc/25/22/63/306252263.db2.gz ZZLRBUHSCKHMEY-UHFFFAOYSA-N 1 1 337.376 1.778 20 5 EDBDMO CN(CC[N@H+](C)C1CC1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186745179 529902977 /nfs/dbraw/zinc/90/29/77/529902977.db2.gz ILAAQCAKLJFBNC-UHFFFAOYSA-N 1 1 341.433 1.395 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186745179 529902978 /nfs/dbraw/zinc/90/29/78/529902978.db2.gz ILAAQCAKLJFBNC-UHFFFAOYSA-N 1 1 341.433 1.395 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000563446110 306333756 /nfs/dbraw/zinc/33/37/56/306333756.db2.gz MUYPBOPIKYKMHN-UHFFFAOYSA-N 1 1 327.406 1.584 20 5 EDBDMO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000041651410 138103836 /nfs/dbraw/zinc/10/38/36/138103836.db2.gz OANOOIUNBGNDBF-OLZOCXBDSA-N 1 1 348.403 1.770 20 5 EDBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090459410 138278808 /nfs/dbraw/zinc/27/88/08/138278808.db2.gz OODYMSJUYKRMRC-ZIAGYGMSSA-N 1 1 349.387 1.343 20 5 EDBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090459410 138278809 /nfs/dbraw/zinc/27/88/09/138278809.db2.gz OODYMSJUYKRMRC-ZIAGYGMSSA-N 1 1 349.387 1.343 20 5 EDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114855581 138310442 /nfs/dbraw/zinc/31/04/42/138310442.db2.gz LSPJFASMQHETHB-IEXSPKMKSA-N 1 1 331.372 1.587 20 5 EDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114855581 138310443 /nfs/dbraw/zinc/31/04/43/138310443.db2.gz LSPJFASMQHETHB-IEXSPKMKSA-N 1 1 331.372 1.587 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000186944398 236074338 /nfs/dbraw/zinc/07/43/38/236074338.db2.gz VZAAAAJWSTWAGJ-GHMZBOCLSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000186944398 236074340 /nfs/dbraw/zinc/07/43/40/236074340.db2.gz VZAAAAJWSTWAGJ-GHMZBOCLSA-N 1 1 341.795 1.775 20 5 EDBDMO CC(C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1 ZINC000563898776 306352067 /nfs/dbraw/zinc/35/20/67/306352067.db2.gz LMGGUSXTGZIUGN-LBPRGKRZSA-N 1 1 337.355 1.694 20 5 EDBDMO C[C@]1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000565062832 306374189 /nfs/dbraw/zinc/37/41/89/306374189.db2.gz ONZKYXKZGISKEZ-KRWDZBQOSA-N 1 1 343.387 1.572 20 5 EDBDMO COc1cc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc([N+](=O)[O-])c1C ZINC000190705619 238684100 /nfs/dbraw/zinc/68/41/00/238684100.db2.gz FHGWNWBYTBJGRM-LLVKDONJSA-N 1 1 337.376 1.050 20 5 EDBDMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000067394019 201160058 /nfs/dbraw/zinc/16/00/58/201160058.db2.gz BHSYPSDHMMDTLN-GFCCVEGCSA-N 1 1 334.376 1.381 20 5 EDBDMO Cn1cc(CNC[C@@H]2C[NH2+]CCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415093161 304159206 /nfs/dbraw/zinc/15/92/06/304159206.db2.gz HOQWVAQYFRFTMU-HNNXBMFYSA-N 1 1 331.376 1.073 20 5 EDBDMO O=[N+]([O-])c1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(F)c1 ZINC000415134886 304162982 /nfs/dbraw/zinc/16/29/82/304162982.db2.gz FKYOMKUCWGLYSD-ZBFHGGJFSA-N 1 1 335.379 1.934 20 5 EDBDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000157808485 205257873 /nfs/dbraw/zinc/25/78/73/205257873.db2.gz CTEYSHXFQWPJOJ-ZNMIVQPWSA-N 1 1 337.424 1.365 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000157808485 205257876 /nfs/dbraw/zinc/25/78/76/205257876.db2.gz CTEYSHXFQWPJOJ-ZNMIVQPWSA-N 1 1 337.424 1.365 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000157808485 205257878 /nfs/dbraw/zinc/25/78/78/205257878.db2.gz CTEYSHXFQWPJOJ-ZNMIVQPWSA-N 1 1 337.424 1.365 20 5 EDBDMO Cc1c(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245422890 139073539 /nfs/dbraw/zinc/07/35/39/139073539.db2.gz AOTXPBOWGINKRB-RYUDHWBXSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1c(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245422890 139073540 /nfs/dbraw/zinc/07/35/40/139073540.db2.gz AOTXPBOWGINKRB-RYUDHWBXSA-N 1 1 336.392 1.822 20 5 EDBDMO O=C(CC[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000246802568 139122186 /nfs/dbraw/zinc/12/21/86/139122186.db2.gz DBGIOQGFJXFFCH-HZPDHXFCSA-N 1 1 349.387 1.803 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000248374179 139161139 /nfs/dbraw/zinc/16/11/39/139161139.db2.gz OJDGFSQQBSAEFW-KGLIPLIRSA-N 1 1 346.387 1.937 20 5 EDBDMO 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FVLZTABDRSGUJW-CQSZACIVSA-N 1 1 340.767 1.384 20 5 EDBDMO COCC[N@H+]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347436687 274026980 /nfs/dbraw/zinc/02/69/80/274026980.db2.gz UJXLIHLQVBRYJJ-UHFFFAOYSA-N 1 1 331.376 1.697 20 5 EDBDMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cnn(C)c1 ZINC000284492345 274221780 /nfs/dbraw/zinc/22/17/80/274221780.db2.gz CSSIUUKMMNLHOD-CABCVRRESA-N 1 1 343.387 1.290 20 5 EDBDMO CN1CCO[C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284767339 274323939 /nfs/dbraw/zinc/32/39/39/274323939.db2.gz MLLICJZIDRCBBX-CVEARBPZSA-N 1 1 348.403 1.328 20 5 EDBDMO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[N@H+](C2CC2)CC1 ZINC000378494228 275011900 /nfs/dbraw/zinc/01/19/00/275011900.db2.gz LJRQVSUOTJFVAG-UHFFFAOYSA-N 1 1 347.400 1.910 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000286903543 288114970 /nfs/dbraw/zinc/11/49/70/288114970.db2.gz LVSZKCRZABCKSG-DOMZBBRYSA-N 1 1 328.340 1.131 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000286903543 288114972 /nfs/dbraw/zinc/11/49/72/288114972.db2.gz LVSZKCRZABCKSG-DOMZBBRYSA-N 1 1 328.340 1.131 20 5 EDBDMO NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[NH2+]1 ZINC000362356838 279591683 /nfs/dbraw/zinc/59/16/83/279591683.db2.gz BTRSNVVVIOWLPN-GFCCVEGCSA-N 1 1 345.334 1.059 20 5 EDBDMO CC(C)[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000487040849 280016164 /nfs/dbraw/zinc/01/61/64/280016164.db2.gz DGMFZJUSUFBLJX-AWEZNQCLSA-N 1 1 342.421 1.019 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000287401141 288229544 /nfs/dbraw/zinc/22/95/44/288229544.db2.gz PKYFPEGBUBATDC-UHFFFAOYSA-N 1 1 334.376 1.759 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CN(C)CCN1C ZINC000287453752 288241665 /nfs/dbraw/zinc/24/16/65/288241665.db2.gz RSBZKHSQMIJALX-LBPRGKRZSA-N 1 1 336.392 1.348 20 5 EDBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000291122763 289004311 /nfs/dbraw/zinc/00/43/11/289004311.db2.gz MILKDTXHNDMVSU-LLVKDONJSA-N 1 1 344.437 1.775 20 5 EDBDMO C[N@@H+](Cc1ccccc1)C1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000291219062 289020411 /nfs/dbraw/zinc/02/04/11/289020411.db2.gz VUUKHAVPLRJCBT-UHFFFAOYSA-N 1 1 341.371 1.409 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000291654622 289139295 /nfs/dbraw/zinc/13/92/95/289139295.db2.gz FMFYPFYOVXWAFD-UHFFFAOYSA-N 1 1 337.376 1.835 20 5 EDBDMO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295265752 303196919 /nfs/dbraw/zinc/19/69/19/303196919.db2.gz HGRSSYBALNTWOP-CYBMUJFWSA-N 1 1 341.433 1.841 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+](C2CC2)C1 ZINC000295791533 303267576 /nfs/dbraw/zinc/26/75/76/303267576.db2.gz YZPFKNUSIFZPJO-JTQLQIEISA-N 1 1 336.367 1.872 20 5 EDBDMO O=c1c([N+](=O)[O-])cccn1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421842806 304816028 /nfs/dbraw/zinc/81/60/28/304816028.db2.gz LNYLVNLFRHEBHL-UHFFFAOYSA-N 1 1 329.356 1.637 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430939017 305069385 /nfs/dbraw/zinc/06/93/85/305069385.db2.gz JYDUVCIVPLWQNL-WCQYABFASA-N 1 1 336.392 1.601 20 5 EDBDMO C[NH2+]C[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000430972144 305071826 /nfs/dbraw/zinc/07/18/26/305071826.db2.gz REGGHQNEBDHIKN-LBPRGKRZSA-N 1 1 336.392 1.473 20 5 EDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000440852071 305213367 /nfs/dbraw/zinc/21/33/67/305213367.db2.gz GZZNXKOMEGIJSD-GFCCVEGCSA-N 1 1 327.406 1.666 20 5 EDBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000447656453 305283721 /nfs/dbraw/zinc/28/37/21/305283721.db2.gz LYILPFWWBUXQCH-UHFFFAOYSA-N 1 1 335.404 1.707 20 5 EDBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000447656453 305283722 /nfs/dbraw/zinc/28/37/22/305283722.db2.gz LYILPFWWBUXQCH-UHFFFAOYSA-N 1 1 335.404 1.707 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@]1(O)CC[N@@H+](C)C1 ZINC000447817420 305286273 /nfs/dbraw/zinc/28/62/73/305286273.db2.gz OGRXKYGUEQXIHJ-CQSZACIVSA-N 1 1 343.767 1.513 20 5 EDBDMO COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544338 305352221 /nfs/dbraw/zinc/35/22/21/305352221.db2.gz DWRRBRCGLRYYDJ-CYBMUJFWSA-N 1 1 335.360 1.063 20 5 EDBDMO COC(=O)CNC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544338 305352222 /nfs/dbraw/zinc/35/22/22/305352222.db2.gz DWRRBRCGLRYYDJ-CYBMUJFWSA-N 1 1 335.360 1.063 20 5 EDBDMO C[NH+](C)[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000043802790 440801116 /nfs/dbraw/zinc/80/11/16/440801116.db2.gz CMQMZDAJAQEXOT-AWEZNQCLSA-N 1 1 333.344 1.986 20 5 EDBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000043901772 440809712 /nfs/dbraw/zinc/80/97/12/440809712.db2.gz OCPLWRKWCQCLOL-LSDHHAIUSA-N 1 1 347.419 1.933 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046036530 441072368 /nfs/dbraw/zinc/07/23/68/441072368.db2.gz OOXKSCDKSYGYCI-TZMCWYRMSA-N 1 1 339.417 1.808 20 5 EDBDMO C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N@@H+](C)C1CC1 ZINC000057705959 441128105 /nfs/dbraw/zinc/12/81/05/441128105.db2.gz LBMXZFJZINAIRX-GFCCVEGCSA-N 1 1 343.387 1.993 20 5 EDBDMO COc1cc(C(=O)NCCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000080374838 441165873 /nfs/dbraw/zinc/16/58/73/441165873.db2.gz DWIIQTZKKPOIFA-UHFFFAOYSA-N 1 1 348.359 1.937 20 5 EDBDMO COc1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000058561710 441203344 /nfs/dbraw/zinc/20/33/44/441203344.db2.gz JDSVWNNRKBISIQ-UHFFFAOYSA-N 1 1 343.405 1.368 20 5 EDBDMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000104747665 441203553 /nfs/dbraw/zinc/20/35/53/441203553.db2.gz WTAFVKLJUGXSGC-JTQLQIEISA-N 1 1 347.824 1.820 20 5 EDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000081527746 441283065 /nfs/dbraw/zinc/28/30/65/441283065.db2.gz ZUSNGNGCZZTTCU-SMDDNHRTSA-N 1 1 334.376 1.014 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000081792394 441314024 /nfs/dbraw/zinc/31/40/24/441314024.db2.gz OJOBGTBZBPPVIT-ZDUSSCGKSA-N 1 1 348.403 1.125 20 5 EDBDMO Cc1c(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000051734900 441421512 /nfs/dbraw/zinc/42/15/12/441421512.db2.gz NTOKUXJJLYGIMW-CQSZACIVSA-N 1 1 341.433 1.807 20 5 EDBDMO Cc1c(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000051734900 441421515 /nfs/dbraw/zinc/42/15/15/441421515.db2.gz NTOKUXJJLYGIMW-CQSZACIVSA-N 1 1 341.433 1.807 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCCn2cc[nH+]c2C)cc1OC ZINC000052222102 441441774 /nfs/dbraw/zinc/44/17/74/441441774.db2.gz MQWSIAGCSAYRPW-UHFFFAOYSA-N 1 1 348.359 1.937 20 5 EDBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 ZINC000065881151 441491575 /nfs/dbraw/zinc/49/15/75/441491575.db2.gz NQVLNOHOSNSTFL-UHFFFAOYSA-N 1 1 345.403 1.868 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000066050081 441501116 /nfs/dbraw/zinc/50/11/16/441501116.db2.gz RNCNEJQMQMAAEG-UHFFFAOYSA-N 1 1 337.424 1.679 20 5 EDBDMO CC[N@@H+](C)CCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000112926166 441569577 /nfs/dbraw/zinc/56/95/77/441569577.db2.gz LHAWJZMQCWUHSS-UHFFFAOYSA-N 1 1 332.364 1.165 20 5 EDBDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000113257009 441593010 /nfs/dbraw/zinc/59/30/10/441593010.db2.gz SOHNGYCUIGINAB-RYUDHWBXSA-N 1 1 330.406 1.727 20 5 EDBDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000113257009 441593015 /nfs/dbraw/zinc/59/30/15/441593015.db2.gz SOHNGYCUIGINAB-RYUDHWBXSA-N 1 1 330.406 1.727 20 5 EDBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000090015448 441614523 /nfs/dbraw/zinc/61/45/23/441614523.db2.gz ZRZSSSHFKLTJGC-NSHDSACASA-N 1 1 339.373 1.817 20 5 EDBDMO CCN1CC[NH+](CCCNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000041444063 441655584 /nfs/dbraw/zinc/65/55/84/441655584.db2.gz XCLHGTBEPWACSN-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000055668898 441660324 /nfs/dbraw/zinc/66/03/24/441660324.db2.gz SFOQKEHAYGVZRK-UHFFFAOYSA-N 1 1 334.332 1.671 20 5 EDBDMO COc1ccc(CC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000067914644 441695827 /nfs/dbraw/zinc/69/58/27/441695827.db2.gz CBHNVWIISGBYOA-CQSZACIVSA-N 1 1 335.404 1.992 20 5 EDBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000173430543 441747255 /nfs/dbraw/zinc/74/72/55/441747255.db2.gz HQRKAAAMNDZBNG-UHFFFAOYSA-N 1 1 345.421 1.150 20 5 EDBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000092843561 441833767 /nfs/dbraw/zinc/83/37/67/441833767.db2.gz HUFGTYRLWUYVRY-SMDDNHRTSA-N 1 1 327.406 1.669 20 5 EDBDMO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000092843561 441833773 /nfs/dbraw/zinc/83/37/73/441833773.db2.gz HUFGTYRLWUYVRY-SMDDNHRTSA-N 1 1 327.406 1.669 20 5 EDBDMO CCc1ccc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000174230621 441905328 /nfs/dbraw/zinc/90/53/28/441905328.db2.gz FZJFMJVFUAZINZ-AWEZNQCLSA-N 1 1 348.447 1.771 20 5 EDBDMO C[C@H]1C[C@@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000123351756 441884976 /nfs/dbraw/zinc/88/49/76/441884976.db2.gz NERCUBJEXGOOCM-ZFWWWQNUSA-N 1 1 346.431 1.898 20 5 EDBDMO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+](C)C1CC1 ZINC000069129211 441895565 /nfs/dbraw/zinc/89/55/65/441895565.db2.gz VDJVKWKKEFEPGK-VIFPVBQESA-N 1 1 331.369 1.495 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1C ZINC000069128971 441895902 /nfs/dbraw/zinc/89/59/02/441895902.db2.gz CRTYWZIJGVTBNA-GFCCVEGCSA-N 1 1 341.433 1.973 20 5 EDBDMO C[N@H+]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000161991755 442052872 /nfs/dbraw/zinc/05/28/72/442052872.db2.gz HVMJBTRXWAPLJR-UHFFFAOYSA-N 1 1 340.767 1.351 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000162200389 442073614 /nfs/dbraw/zinc/07/36/14/442073614.db2.gz XENHJOXQJHNLQB-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000127162746 442177378 /nfs/dbraw/zinc/17/73/78/442177378.db2.gz LNDYHHAYQCRTEC-CQSZACIVSA-N 1 1 337.424 1.726 20 5 EDBDMO Cn1cc(C(=O)N2CCC[N@@H+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000097025382 442156211 /nfs/dbraw/zinc/15/62/11/442156211.db2.gz DOIDMLFPFXGBJY-UHFFFAOYSA-N 1 1 343.387 1.773 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170737366 442255129 /nfs/dbraw/zinc/25/51/29/442255129.db2.gz TZWFGALDTUQZIS-CHWSQXEVSA-N 1 1 348.403 1.899 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170737366 442255133 /nfs/dbraw/zinc/25/51/33/442255133.db2.gz TZWFGALDTUQZIS-CHWSQXEVSA-N 1 1 348.403 1.899 20 5 EDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153124722 442262763 /nfs/dbraw/zinc/26/27/63/442262763.db2.gz YPJPLEYTFJOOPA-QWHCGFSZSA-N 1 1 342.193 1.877 20 5 EDBDMO CNS(=O)(=O)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153282418 442272800 /nfs/dbraw/zinc/27/28/00/442272800.db2.gz CMKCXHVDDNTFIZ-UHFFFAOYSA-N 1 1 327.406 1.499 20 5 EDBDMO COc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000153454773 442283749 /nfs/dbraw/zinc/28/37/49/442283749.db2.gz IGXOQCUZNDRNFI-NSHDSACASA-N 1 1 337.376 1.778 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000154117290 442322061 /nfs/dbraw/zinc/32/20/61/442322061.db2.gz PRVSYSMKZFPSHO-OAHLLOKOSA-N 1 1 349.387 1.794 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000154117290 442322063 /nfs/dbraw/zinc/32/20/63/442322063.db2.gz PRVSYSMKZFPSHO-OAHLLOKOSA-N 1 1 349.387 1.794 20 5 EDBDMO COCC[N@@H+](C)CCNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000171070441 442306288 /nfs/dbraw/zinc/30/62/88/442306288.db2.gz PEBHFHLEERSNFN-FNORWQNLSA-N 1 1 337.376 1.771 20 5 EDBDMO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nnnn1-c1ccccc1 ZINC000131001812 442361879 /nfs/dbraw/zinc/36/18/79/442361879.db2.gz OSMMQKFKCFGXIG-NSHDSACASA-N 1 1 328.336 1.118 20 5 EDBDMO CC[NH+]1CCN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178199435 442414888 /nfs/dbraw/zinc/41/48/88/442414888.db2.gz LCEQGMQADWCZCT-UHFFFAOYSA-N 1 1 349.435 1.325 20 5 EDBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000191510785 442456811 /nfs/dbraw/zinc/45/68/11/442456811.db2.gz BCCUBAKBOIHZIB-RDJZCZTQSA-N 1 1 348.403 1.342 20 5 EDBDMO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000134388504 442476780 /nfs/dbraw/zinc/47/67/80/442476780.db2.gz BYGHNUFDCJIFGC-LLVKDONJSA-N 1 1 325.340 1.432 20 5 EDBDMO C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000134979802 442543672 /nfs/dbraw/zinc/54/36/72/442543672.db2.gz CXCSQJSVAJCAOG-YPMHNXCESA-N 1 1 339.417 1.522 20 5 EDBDMO C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000134979802 442543679 /nfs/dbraw/zinc/54/36/79/442543679.db2.gz CXCSQJSVAJCAOG-YPMHNXCESA-N 1 1 339.417 1.522 20 5 EDBDMO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000191804966 442514083 /nfs/dbraw/zinc/51/40/83/442514083.db2.gz VHRSDHJMIVHZOS-MFKMUULPSA-N 1 1 335.360 1.325 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000191804966 442514086 /nfs/dbraw/zinc/51/40/86/442514086.db2.gz VHRSDHJMIVHZOS-MFKMUULPSA-N 1 1 335.360 1.325 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000191863100 442527322 /nfs/dbraw/zinc/52/73/22/442527322.db2.gz USLSONFCUQOXFM-ZDUSSCGKSA-N 1 1 337.424 1.909 20 5 EDBDMO Cc1cc(C)c2c(c1)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000186710728 442597591 /nfs/dbraw/zinc/59/75/91/442597591.db2.gz KHHPJRNCLSJKPF-MRXNPFEDSA-N 1 1 330.388 1.827 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]2C1 ZINC000192474650 442651447 /nfs/dbraw/zinc/65/14/47/442651447.db2.gz IDGNCCWEHXZQCY-BETUJISGSA-N 1 1 341.371 1.414 20 5 EDBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180544921 442619966 /nfs/dbraw/zinc/61/99/66/442619966.db2.gz IADSKCOMPYOKRI-LLVKDONJSA-N 1 1 335.408 1.812 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000192660849 442673926 /nfs/dbraw/zinc/67/39/26/442673926.db2.gz QXPZEOXVYWUSEI-ZDUSSCGKSA-N 1 1 327.406 1.666 20 5 EDBDMO C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1CCO ZINC000188741105 442800761 /nfs/dbraw/zinc/80/07/61/442800761.db2.gz ZRLMFKASQGAEEF-GFCCVEGCSA-N 1 1 346.387 1.144 20 5 EDBDMO C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1CCO ZINC000188741105 442800762 /nfs/dbraw/zinc/80/07/62/442800762.db2.gz ZRLMFKASQGAEEF-GFCCVEGCSA-N 1 1 346.387 1.144 20 5 EDBDMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000193687089 442767320 /nfs/dbraw/zinc/76/73/20/442767320.db2.gz SNLLKSVHFVTTJH-OCCSQVGLSA-N 1 1 348.403 1.314 20 5 EDBDMO COc1ccc(NC(=O)C[NH2+][C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000182914293 442846662 /nfs/dbraw/zinc/84/66/62/442846662.db2.gz KWUXDUGVAPDXPJ-OAHLLOKOSA-N 1 1 345.355 1.865 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183175479 442895150 /nfs/dbraw/zinc/89/51/50/442895150.db2.gz TWKCXXJJWKROQU-SRVKXCTJSA-N 1 1 337.376 1.633 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183175479 442895151 /nfs/dbraw/zinc/89/51/51/442895151.db2.gz TWKCXXJJWKROQU-SRVKXCTJSA-N 1 1 337.376 1.633 20 5 EDBDMO COCCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000249407643 442972448 /nfs/dbraw/zinc/97/24/48/442972448.db2.gz USUGRNREKODUJE-IUODEOHRSA-N 1 1 337.376 1.659 20 5 EDBDMO COCCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000249407643 442972452 /nfs/dbraw/zinc/97/24/52/442972452.db2.gz USUGRNREKODUJE-IUODEOHRSA-N 1 1 337.376 1.659 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000189790247 443012081 /nfs/dbraw/zinc/01/20/81/443012081.db2.gz CEEVALBNNCJQOE-UHFFFAOYSA-N 1 1 327.406 1.538 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000189790247 443012085 /nfs/dbraw/zinc/01/20/85/443012085.db2.gz CEEVALBNNCJQOE-UHFFFAOYSA-N 1 1 327.406 1.538 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000189854781 443019756 /nfs/dbraw/zinc/01/97/56/443019756.db2.gz ZADKIOJPSORHGZ-UHFFFAOYSA-N 1 1 341.433 1.976 20 5 EDBDMO COC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000184508757 443032314 /nfs/dbraw/zinc/03/23/14/443032314.db2.gz QLHJHDQGBAICTC-ZFWWWQNUSA-N 1 1 336.344 1.905 20 5 EDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000184722946 443066467 /nfs/dbraw/zinc/06/64/67/443066467.db2.gz RADDWQNASUOUJI-UHFFFAOYSA-N 1 1 333.392 1.663 20 5 EDBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc([N+](=O)[O-])c(OC)c3)C2)CC1 ZINC000266380658 443112185 /nfs/dbraw/zinc/11/21/85/443112185.db2.gz MXXFRQDQEAAWON-HNNXBMFYSA-N 1 1 334.420 1.820 20 5 EDBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](O)CN1CCOCC1 ZINC000269043323 443181259 /nfs/dbraw/zinc/18/12/59/443181259.db2.gz KPRGTZZUNRWQPV-ZDUSSCGKSA-N 1 1 343.811 1.373 20 5 EDBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266609555 443185183 /nfs/dbraw/zinc/18/51/83/443185183.db2.gz TXPCSBBLURVLQU-CQSZACIVSA-N 1 1 349.435 1.072 20 5 EDBDMO CC(C)c1ccc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000190843187 443194541 /nfs/dbraw/zinc/19/45/41/443194541.db2.gz XGJDEQIPTAJWMC-ZDUSSCGKSA-N 1 1 335.404 1.857 20 5 EDBDMO CC(C)c1ccc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000190843187 443194548 /nfs/dbraw/zinc/19/45/48/443194548.db2.gz XGJDEQIPTAJWMC-ZDUSSCGKSA-N 1 1 335.404 1.857 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185169683 443152631 /nfs/dbraw/zinc/15/26/31/443152631.db2.gz HSNYCEPXQMYQJC-LLVKDONJSA-N 1 1 327.356 1.532 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000191083304 443237198 /nfs/dbraw/zinc/23/71/98/443237198.db2.gz WJVBPQIFWKZELO-UHFFFAOYSA-N 1 1 339.417 1.626 20 5 EDBDMO CC(C)N(CC[NH+](C)C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000185441348 443199941 /nfs/dbraw/zinc/19/99/41/443199941.db2.gz UBQWUUFJGKMSGJ-UHFFFAOYSA-N 1 1 329.422 1.775 20 5 EDBDMO CCc1[nH]nc(-c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000351239970 319098025 /nfs/dbraw/zinc/09/80/25/319098025.db2.gz IBLOAIDCUFQSJA-ZUZCIYMTSA-N 1 1 348.363 1.856 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CCCC[C@]2(C)C(N)=O)c([N+](=O)[O-])c1 ZINC000185912583 443281622 /nfs/dbraw/zinc/28/16/22/443281622.db2.gz IKZCUSMNYKVTBD-MRXNPFEDSA-N 1 1 337.376 1.712 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCCC[C@]2(C)C(N)=O)c([N+](=O)[O-])c1 ZINC000185912583 443281623 /nfs/dbraw/zinc/28/16/23/443281623.db2.gz IKZCUSMNYKVTBD-MRXNPFEDSA-N 1 1 337.376 1.712 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000191349713 443283207 /nfs/dbraw/zinc/28/32/07/443283207.db2.gz IYMVOSNLNPKZSV-CYBMUJFWSA-N 1 1 336.392 1.742 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000191349713 443283212 /nfs/dbraw/zinc/28/32/12/443283212.db2.gz IYMVOSNLNPKZSV-CYBMUJFWSA-N 1 1 336.392 1.742 20 5 EDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000267007675 443312144 /nfs/dbraw/zinc/31/21/44/443312144.db2.gz FRNGCKUYAMIMCG-UHFFFAOYSA-N 1 1 326.784 1.944 20 5 EDBDMO Cc1nc2n(n1)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000267025964 443316148 /nfs/dbraw/zinc/31/61/48/443316148.db2.gz CTTOZXWHTBZEEV-UHFFFAOYSA-N 1 1 344.375 1.648 20 5 EDBDMO Cc1nc2n(n1)CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000267025964 443316149 /nfs/dbraw/zinc/31/61/49/443316149.db2.gz CTTOZXWHTBZEEV-UHFFFAOYSA-N 1 1 344.375 1.648 20 5 EDBDMO CNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000264682056 443372603 /nfs/dbraw/zinc/37/26/03/443372603.db2.gz AQRGWWCAPSRVDR-VXGBXAGGSA-N 1 1 334.376 1.380 20 5 EDBDMO CNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000264682056 443372605 /nfs/dbraw/zinc/37/26/05/443372605.db2.gz AQRGWWCAPSRVDR-VXGBXAGGSA-N 1 1 334.376 1.380 20 5 EDBDMO Cc1c(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278518333 443351094 /nfs/dbraw/zinc/35/10/94/443351094.db2.gz CFYDKLJEHMXBGY-NWDGAFQWSA-N 1 1 336.392 1.822 20 5 EDBDMO CNC(=O)CCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272546960 443358750 /nfs/dbraw/zinc/35/87/50/443358750.db2.gz QHDBYBYKFIAOHP-OAHLLOKOSA-N 1 1 331.376 1.534 20 5 EDBDMO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269632608 443372097 /nfs/dbraw/zinc/37/20/97/443372097.db2.gz GEKAVRAXTRJQAI-KBPBESRZSA-N 1 1 340.401 1.609 20 5 EDBDMO COC(=O)C[C@H]1CSCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269632608 443372099 /nfs/dbraw/zinc/37/20/99/443372099.db2.gz GEKAVRAXTRJQAI-KBPBESRZSA-N 1 1 340.401 1.609 20 5 EDBDMO CNS(=O)(=O)C1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000264683235 443372224 /nfs/dbraw/zinc/37/22/24/443372224.db2.gz BEHJRXUJTAYXOD-UHFFFAOYSA-N 1 1 343.405 1.117 20 5 EDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000265245181 443582107 /nfs/dbraw/zinc/58/21/07/443582107.db2.gz VBFUZKVWHOXFDD-LBPRGKRZSA-N 1 1 341.433 1.776 20 5 EDBDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000265276490 443591914 /nfs/dbraw/zinc/59/19/14/443591914.db2.gz VZZQIHZBFKHJEG-KRWDZBQOSA-N 1 1 340.420 1.872 20 5 EDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCOc3ccccc3)CC2)nc1 ZINC000273139576 443548225 /nfs/dbraw/zinc/54/82/25/443548225.db2.gz DPAFLPFMWYCSKC-UHFFFAOYSA-N 1 1 329.360 1.586 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000272196674 443554448 /nfs/dbraw/zinc/55/44/48/443554448.db2.gz NTGOUVKFKFGYPS-WCQYABFASA-N 1 1 334.376 1.697 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279778515 443626990 /nfs/dbraw/zinc/62/69/90/443626990.db2.gz NMECKZCVGGQBCS-AWEZNQCLSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000286192107 443665325 /nfs/dbraw/zinc/66/53/25/443665325.db2.gz XPMYCOKBZSXNDJ-DZGCQCFKSA-N 1 1 335.404 1.898 20 5 EDBDMO CNS(=O)(=O)c1ccc(NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280116928 443666732 /nfs/dbraw/zinc/66/67/32/443666732.db2.gz CEKUFKIRDZWCRX-UHFFFAOYSA-N 1 1 340.405 1.177 20 5 EDBDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000457600362 320330360 /nfs/dbraw/zinc/33/03/60/320330360.db2.gz PZVLGRSEMGSQEK-GFCCVEGCSA-N 1 1 330.348 1.208 20 5 EDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)CO ZINC000298459379 443773613 /nfs/dbraw/zinc/77/36/13/443773613.db2.gz ROEFWBXBUULMMO-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO CC(C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000299003934 443926611 /nfs/dbraw/zinc/92/66/11/443926611.db2.gz KSBYOXXVDQHTTE-ZDUSSCGKSA-N 1 1 340.449 1.658 20 5 EDBDMO Cn1nccc1C1=CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000285470610 443997135 /nfs/dbraw/zinc/99/71/35/443997135.db2.gz BYVFOSGZFRYCPT-UHFFFAOYSA-N 1 1 329.360 1.279 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277636110 444018510 /nfs/dbraw/zinc/01/85/10/444018510.db2.gz SPSYYWYOSYTZAN-GFCCVEGCSA-N 1 1 337.376 1.132 20 5 EDBDMO CCC[C@]1(CO)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000288946474 444020121 /nfs/dbraw/zinc/02/01/21/444020121.db2.gz XFRVSFYVHDWKJQ-SFHVURJKSA-N 1 1 347.415 1.968 20 5 EDBDMO CCC[C@]1(CO)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000288946474 444020122 /nfs/dbraw/zinc/02/01/22/444020122.db2.gz XFRVSFYVHDWKJQ-SFHVURJKSA-N 1 1 347.415 1.968 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000293642737 444078073 /nfs/dbraw/zinc/07/80/73/444078073.db2.gz GGBSFKFGEGEOTO-MRXNPFEDSA-N 1 1 329.360 1.639 20 5 EDBDMO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000293642737 444078078 /nfs/dbraw/zinc/07/80/78/444078078.db2.gz GGBSFKFGEGEOTO-MRXNPFEDSA-N 1 1 329.360 1.639 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000293642737 444078082 /nfs/dbraw/zinc/07/80/82/444078082.db2.gz GGBSFKFGEGEOTO-MRXNPFEDSA-N 1 1 329.360 1.639 20 5 EDBDMO Cc1cc(OCC(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000285714435 444082454 /nfs/dbraw/zinc/08/24/54/444082454.db2.gz JJPNJHINONABGM-JKSUJKDBSA-N 1 1 349.387 1.214 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000563068339 321092378 /nfs/dbraw/zinc/09/23/78/321092378.db2.gz ODLMQQWGGHYXFO-NSHDSACASA-N 1 1 346.391 1.707 20 5 EDBDMO CC[NH+]1CCN(C(=O)CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000565300668 321180362 /nfs/dbraw/zinc/18/03/62/321180362.db2.gz AJHGGCZSTRRSGJ-UHFFFAOYSA-N 1 1 347.419 1.445 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000571384858 321385379 /nfs/dbraw/zinc/38/53/79/321385379.db2.gz SFVFGEBWELFQRG-CQSZACIVSA-N 1 1 348.403 1.784 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@H]2C1 ZINC000285794923 444110328 /nfs/dbraw/zinc/11/03/28/444110328.db2.gz NSOXONOSLRPFOT-LSDHHAIUSA-N 1 1 344.371 1.621 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000289425444 444139411 /nfs/dbraw/zinc/13/94/11/444139411.db2.gz CITFZJDKHLBMHY-LLVKDONJSA-N 1 1 329.422 1.910 20 5 EDBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCC[N@H+](CCCO)C2)s1 ZINC000294857435 444151257 /nfs/dbraw/zinc/15/12/57/444151257.db2.gz BUJVAADXPBDZFP-JTQLQIEISA-N 1 1 337.405 1.858 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000289470351 444152251 /nfs/dbraw/zinc/15/22/51/444152251.db2.gz YYROICXOYIEAIH-MRXNPFEDSA-N 1 1 329.360 1.337 20 5 EDBDMO COC[C@H](C)[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301216274 444156015 /nfs/dbraw/zinc/15/60/15/444156015.db2.gz YGUZSEAUEZIRLX-JTQLQIEISA-N 1 1 325.394 1.461 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302160684 444206967 /nfs/dbraw/zinc/20/69/67/444206967.db2.gz GXUKZQVALDRGIV-WCQYABFASA-N 1 1 328.376 1.899 20 5 EDBDMO CC(C)NC(=O)c1ccc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301625406 444182879 /nfs/dbraw/zinc/18/28/79/444182879.db2.gz APMCJBLWNNBPKT-HOTGVXAUSA-N 1 1 348.403 1.252 20 5 EDBDMO C[C@@H](O)C[N@@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289939426 444221918 /nfs/dbraw/zinc/22/19/18/444221918.db2.gz VIAVQOSPVDPLGK-GFCCVEGCSA-N 1 1 335.360 1.467 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(NC[C@H]3C[N@@H+]4CCCC[C@H]4CO3)nn21 ZINC000301912204 444196236 /nfs/dbraw/zinc/19/62/36/444196236.db2.gz BWVXXCVKJCAXTM-RYUDHWBXSA-N 1 1 332.364 1.303 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(NC[C@H]3C[N@H+]4CCCC[C@H]4CO3)nn21 ZINC000301912204 444196238 /nfs/dbraw/zinc/19/62/38/444196238.db2.gz BWVXXCVKJCAXTM-RYUDHWBXSA-N 1 1 332.364 1.303 20 5 EDBDMO CCc1nn(C)c(N2CC[N@@H+](C[C@H](C)O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000301912509 444196507 /nfs/dbraw/zinc/19/65/07/444196507.db2.gz DDTLBBLLQQMORC-RYUDHWBXSA-N 1 1 325.413 1.172 20 5 EDBDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000290260540 444260455 /nfs/dbraw/zinc/26/04/55/444260455.db2.gz SNLAPXNJTUEDOJ-GFCCVEGCSA-N 1 1 329.422 1.994 20 5 EDBDMO CC[NH+]1CCN(C(=O)CNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000302775427 444223706 /nfs/dbraw/zinc/22/37/06/444223706.db2.gz OLNAJBSOYPQSAS-UHFFFAOYSA-N 1 1 326.784 1.824 20 5 EDBDMO Cc1cnn([C@@H]2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000289970742 444225824 /nfs/dbraw/zinc/22/58/24/444225824.db2.gz RCISQWAEIGZHAE-CVEARBPZSA-N 1 1 346.387 1.786 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000290671673 444308843 /nfs/dbraw/zinc/30/88/43/444308843.db2.gz PKTZOEQJFZMXPM-UHFFFAOYSA-N 1 1 342.827 1.862 20 5 EDBDMO CN(CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)CC[NH+](C)C ZINC000290671673 444308845 /nfs/dbraw/zinc/30/88/45/444308845.db2.gz PKTZOEQJFZMXPM-UHFFFAOYSA-N 1 1 342.827 1.862 20 5 EDBDMO C[C@H](c1cnn(C)c1)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000305838498 444282691 /nfs/dbraw/zinc/28/26/91/444282691.db2.gz QPEWOSFSMHVJOY-IUODEOHRSA-N 1 1 334.376 1.761 20 5 EDBDMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000297723836 444324417 /nfs/dbraw/zinc/32/44/17/444324417.db2.gz BPCRUGIKBSAZIP-ZDUSSCGKSA-N 1 1 348.403 1.690 20 5 EDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330990421 444349213 /nfs/dbraw/zinc/34/92/13/444349213.db2.gz RPXUSIJLCRVSBH-INIZCTEOSA-N 1 1 334.420 1.830 20 5 EDBDMO CCOC(=O)c1ccnc(NCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000337828298 444427463 /nfs/dbraw/zinc/42/74/63/444427463.db2.gz URCVJIIPELPPJP-UHFFFAOYSA-N 1 1 333.348 2.174 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000331169997 444429185 /nfs/dbraw/zinc/42/91/85/444429185.db2.gz UHITUCVOZZWHMR-AWEZNQCLSA-N 1 1 337.424 1.597 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000581459569 322179106 /nfs/dbraw/zinc/17/91/06/322179106.db2.gz YYJTUDXVFXDGNK-GFCCVEGCSA-N 1 1 348.403 1.554 20 5 EDBDMO COC[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000343868329 444637174 /nfs/dbraw/zinc/63/71/74/444637174.db2.gz IKHJVGKPUIJHFY-CHWSQXEVSA-N 1 1 340.376 1.848 20 5 EDBDMO COC[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000343868329 444637177 /nfs/dbraw/zinc/63/71/77/444637177.db2.gz IKHJVGKPUIJHFY-CHWSQXEVSA-N 1 1 340.376 1.848 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)nc1 ZINC000342476922 444707596 /nfs/dbraw/zinc/70/75/96/444707596.db2.gz DQROEJPEEMBEKE-CWRNSKLLSA-N 1 1 347.419 1.339 20 5 EDBDMO Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000338872560 444905507 /nfs/dbraw/zinc/90/55/07/444905507.db2.gz DGSRHPSJMGPSFN-UHFFFAOYSA-N 1 1 345.359 1.553 20 5 EDBDMO O=C(C[N@H+]1CCCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCC1 ZINC000344423533 444959478 /nfs/dbraw/zinc/95/94/78/444959478.db2.gz SGIXVIXITPOACW-UHFFFAOYSA-N 1 1 333.392 1.124 20 5 EDBDMO O=C(C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCC1 ZINC000344423533 444959481 /nfs/dbraw/zinc/95/94/81/444959481.db2.gz SGIXVIXITPOACW-UHFFFAOYSA-N 1 1 333.392 1.124 20 5 EDBDMO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330426629 444976814 /nfs/dbraw/zinc/97/68/14/444976814.db2.gz SWOPIAKJJZURIR-ZDUSSCGKSA-N 1 1 341.433 1.913 20 5 EDBDMO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000330543250 445026644 /nfs/dbraw/zinc/02/66/44/445026644.db2.gz JBYAYYIKRZEBDC-OLZOCXBDSA-N 1 1 341.433 1.839 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000330543250 445026650 /nfs/dbraw/zinc/02/66/50/445026650.db2.gz JBYAYYIKRZEBDC-OLZOCXBDSA-N 1 1 341.433 1.839 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)c1ncc([N+](=O)[O-])cn1 ZINC000344463791 444991884 /nfs/dbraw/zinc/99/18/84/444991884.db2.gz ZJRAAEQPVSBGNI-WFASDCNBSA-N 1 1 345.407 1.638 20 5 EDBDMO COc1ccc(C(=O)N(C)C[C@H]2C[C@@H](OC)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000344503572 445018458 /nfs/dbraw/zinc/01/84/58/445018458.db2.gz FJBPXTRXAIPERB-CHWSQXEVSA-N 1 1 337.376 1.395 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000343124675 445081109 /nfs/dbraw/zinc/08/11/09/445081109.db2.gz YDXHTEQPPDYSBB-WDEREUQCSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000343124675 445081112 /nfs/dbraw/zinc/08/11/12/445081112.db2.gz YDXHTEQPPDYSBB-WDEREUQCSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000330664874 445086230 /nfs/dbraw/zinc/08/62/30/445086230.db2.gz GQJXHHXFHAODCQ-GFCCVEGCSA-N 1 1 329.360 1.557 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000330664874 445086236 /nfs/dbraw/zinc/08/62/36/445086236.db2.gz GQJXHHXFHAODCQ-GFCCVEGCSA-N 1 1 329.360 1.557 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](C(N)=O)C1 ZINC000346635131 445220638 /nfs/dbraw/zinc/22/06/38/445220638.db2.gz BBTHRJBPWGGAKX-WCQYABFASA-N 1 1 334.376 1.285 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000347483134 445239469 /nfs/dbraw/zinc/23/94/69/445239469.db2.gz LRZSPZMAVIMYTG-UHFFFAOYSA-N 1 1 337.424 1.728 20 5 EDBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)c1 ZINC000354603094 445310521 /nfs/dbraw/zinc/31/05/21/445310521.db2.gz HMVILDCDQRDENI-UHFFFAOYSA-N 1 1 341.371 1.843 20 5 EDBDMO CCOC(=O)COCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351711827 445286513 /nfs/dbraw/zinc/28/65/13/445286513.db2.gz KKLRXUXTOSEIAV-GFCCVEGCSA-N 1 1 338.364 1.056 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@@H+](C)CC[C@H]2C)c1 ZINC000351897162 445361673 /nfs/dbraw/zinc/36/16/73/445361673.db2.gz HQNQCJBOHSCVBU-GFCCVEGCSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@H+](C)CC[C@H]2C)c1 ZINC000351897162 445361675 /nfs/dbraw/zinc/36/16/75/445361675.db2.gz HQNQCJBOHSCVBU-GFCCVEGCSA-N 1 1 341.433 1.926 20 5 EDBDMO O=C(C[NH2+][C@@H](CO)c1ccsc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000352022670 445445825 /nfs/dbraw/zinc/44/58/25/445445825.db2.gz PZRZTRRWYJEVTG-AWEZNQCLSA-N 1 1 347.396 1.869 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000360008749 445526324 /nfs/dbraw/zinc/52/63/24/445526324.db2.gz YLXUMQFEXNZVJN-STQMWFEESA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000360008749 445526329 /nfs/dbraw/zinc/52/63/29/445526329.db2.gz YLXUMQFEXNZVJN-STQMWFEESA-N 1 1 341.433 1.973 20 5 EDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362827600 445569145 /nfs/dbraw/zinc/56/91/45/445569145.db2.gz AHGWMWWDXAJXKV-ZIAGYGMSSA-N 1 1 332.404 1.552 20 5 EDBDMO C[N@@H+]1CC=C(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000362986953 445639401 /nfs/dbraw/zinc/63/94/01/445639401.db2.gz PCNMJFBANXUYNX-UHFFFAOYSA-N 1 1 325.315 1.794 20 5 EDBDMO CCOc1cc(C(=O)NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000350091176 445766735 /nfs/dbraw/zinc/76/67/35/445766735.db2.gz XJPUXJMPBZKBRU-UHFFFAOYSA-N 1 1 349.387 1.994 20 5 EDBDMO CCOc1cc(C(=O)NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000350091176 445766738 /nfs/dbraw/zinc/76/67/38/445766738.db2.gz XJPUXJMPBZKBRU-UHFFFAOYSA-N 1 1 349.387 1.994 20 5 EDBDMO COC(=O)c1cnc(NC[C@@H]2CCCn3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000365053803 445995243 /nfs/dbraw/zinc/99/52/43/445995243.db2.gz OUNFDNPESSDELN-JTQLQIEISA-N 1 1 331.332 1.962 20 5 EDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000583519531 326089444 /nfs/dbraw/zinc/08/94/44/326089444.db2.gz ITGCSIYYWKNXQP-CQSZACIVSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000583519531 326089447 /nfs/dbraw/zinc/08/94/47/326089447.db2.gz ITGCSIYYWKNXQP-CQSZACIVSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@H+]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000369582770 446133826 /nfs/dbraw/zinc/13/38/26/446133826.db2.gz FBBAPIFMOJCFMP-INIZCTEOSA-N 1 1 332.404 1.728 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000373361417 446181266 /nfs/dbraw/zinc/18/12/66/446181266.db2.gz UARMXCNCGGATGR-GFCCVEGCSA-N 1 1 349.387 1.626 20 5 EDBDMO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000373361417 446181272 /nfs/dbraw/zinc/18/12/72/446181272.db2.gz UARMXCNCGGATGR-GFCCVEGCSA-N 1 1 349.387 1.626 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C1 ZINC000359634592 446330308 /nfs/dbraw/zinc/33/03/08/446330308.db2.gz DMISPRFVOGPZDJ-RYUDHWBXSA-N 1 1 347.375 1.536 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000365823657 446358780 /nfs/dbraw/zinc/35/87/80/446358780.db2.gz UGXDJMSCNSJGKH-LBPRGKRZSA-N 1 1 344.375 1.574 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000365823657 446358783 /nfs/dbraw/zinc/35/87/83/446358783.db2.gz UGXDJMSCNSJGKH-LBPRGKRZSA-N 1 1 344.375 1.574 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000370718882 446401895 /nfs/dbraw/zinc/40/18/95/446401895.db2.gz GTRLFKRUIGDMSA-LBPRGKRZSA-N 1 1 337.376 1.132 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000411260657 446451574 /nfs/dbraw/zinc/45/15/74/446451574.db2.gz ZSZJXPLJTFCHPO-LBPRGKRZSA-N 1 1 346.387 1.503 20 5 EDBDMO [NH3+]Cc1cn([C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000420390781 446566084 /nfs/dbraw/zinc/56/60/84/446566084.db2.gz ZWCWUFLKOHROME-CQSZACIVSA-N 1 1 346.391 1.361 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)cc1 ZINC000375112859 446587891 /nfs/dbraw/zinc/58/78/91/446587891.db2.gz MFHYORCAWWEZRT-UHFFFAOYSA-N 1 1 336.373 1.606 20 5 EDBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000420422232 446597590 /nfs/dbraw/zinc/59/75/90/446597590.db2.gz LTEVBJFSYSUCBT-OKILXGFUSA-N 1 1 339.417 1.293 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000411573044 446609337 /nfs/dbraw/zinc/60/93/37/446609337.db2.gz RPASHEJTOGWDPG-LBPRGKRZSA-N 1 1 337.376 1.779 20 5 EDBDMO O=C(CC[N@@H+]1CCOC[C@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411721993 446657957 /nfs/dbraw/zinc/65/79/57/446657957.db2.gz TZMRDUCPSGHDDK-JKSUJKDBSA-N 1 1 349.387 1.803 20 5 EDBDMO O=C(CC[N@H+]1CCOC[C@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411721993 446657965 /nfs/dbraw/zinc/65/79/65/446657965.db2.gz TZMRDUCPSGHDDK-JKSUJKDBSA-N 1 1 349.387 1.803 20 5 EDBDMO Cn1ncc2c1CCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000411847765 446695354 /nfs/dbraw/zinc/69/53/54/446695354.db2.gz MTIIKCMIJJDVHY-OAHLLOKOSA-N 1 1 346.387 1.516 20 5 EDBDMO COc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000420760956 446799129 /nfs/dbraw/zinc/79/91/29/446799129.db2.gz GRZVIVBUUBWJJW-NSHDSACASA-N 1 1 343.405 1.318 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1 ZINC000412033499 446794338 /nfs/dbraw/zinc/79/43/38/446794338.db2.gz FMLNQNCHPZSISF-WMHQRMGPSA-N 1 1 336.388 1.427 20 5 EDBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423955196 446798223 /nfs/dbraw/zinc/79/82/23/446798223.db2.gz OPDZXTOYZOBQNG-OAHLLOKOSA-N 1 1 330.319 1.916 20 5 EDBDMO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000412067752 446828629 /nfs/dbraw/zinc/82/86/29/446828629.db2.gz DLUWFNUQMXWZRQ-LBPRGKRZSA-N 1 1 340.401 1.941 20 5 EDBDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000412067752 446828637 /nfs/dbraw/zinc/82/86/37/446828637.db2.gz DLUWFNUQMXWZRQ-LBPRGKRZSA-N 1 1 340.401 1.941 20 5 EDBDMO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000377039006 446878539 /nfs/dbraw/zinc/87/85/39/446878539.db2.gz CWUXJLXDVQTRKF-MMVSWEMESA-N 1 1 335.326 1.573 20 5 EDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000371542462 446924870 /nfs/dbraw/zinc/92/48/70/446924870.db2.gz KSPWXXRYXURZKV-QWRGUYRKSA-N 1 1 347.400 1.956 20 5 EDBDMO CCC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420976043 446947943 /nfs/dbraw/zinc/94/79/43/446947943.db2.gz SBKDIOXDAJHLHR-GFCCVEGCSA-N 1 1 329.422 1.994 20 5 EDBDMO CNc1nc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000454983337 447019468 /nfs/dbraw/zinc/01/94/68/447019468.db2.gz AVAVICSPVWMTEN-NEPJUHHUSA-N 1 1 335.408 1.882 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000375695160 446983430 /nfs/dbraw/zinc/98/34/30/446983430.db2.gz ZVYFUSRGAXZMRC-AWEZNQCLSA-N 1 1 343.387 1.580 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000377197135 446985765 /nfs/dbraw/zinc/98/57/65/446985765.db2.gz PGZVXZYYMBHOJW-OAGGEKHMSA-N 1 1 336.388 1.965 20 5 EDBDMO Cc1cccc(NC[C@@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)[nH+]1 ZINC000368695694 447045583 /nfs/dbraw/zinc/04/55/83/447045583.db2.gz DYHVDEZNZZOAPM-ZDUSSCGKSA-N 1 1 344.375 1.598 20 5 EDBDMO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000444391153 447100754 /nfs/dbraw/zinc/10/07/54/447100754.db2.gz JHHUUJYGTUDNSG-JTQLQIEISA-N 1 1 327.406 1.574 20 5 EDBDMO CCOc1cc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419325740 447092005 /nfs/dbraw/zinc/09/20/05/447092005.db2.gz BGYVRYZHPUJHMQ-KGLIPLIRSA-N 1 1 337.420 1.880 20 5 EDBDMO COCCCC[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000419397901 447151481 /nfs/dbraw/zinc/15/14/81/447151481.db2.gz YNIZDOHDVLAIGD-UHFFFAOYSA-N 1 1 339.348 1.620 20 5 EDBDMO COc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368973247 447236240 /nfs/dbraw/zinc/23/62/40/447236240.db2.gz JEIFWZFEIBMHNP-DETPVDSQSA-N 1 1 349.387 1.568 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000421771483 447245556 /nfs/dbraw/zinc/24/55/56/447245556.db2.gz XAATTXQLRYZFFG-AWEZNQCLSA-N 1 1 348.403 1.281 20 5 EDBDMO C[C@@H](C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000575975230 447940510 /nfs/dbraw/zinc/94/05/10/447940510.db2.gz FCLAXQWNZKBZAA-LSDHHAIUSA-N 1 1 348.447 1.698 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[N@H+]1C1CC1 ZINC000530767564 447953242 /nfs/dbraw/zinc/95/32/42/447953242.db2.gz QGENBSLUEMYRHA-MNOVXSKESA-N 1 1 347.371 1.721 20 5 EDBDMO CNc1ccc(C(=O)NCCCNc2ccc(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000530773272 447954426 /nfs/dbraw/zinc/95/44/26/447954426.db2.gz PUKMHIVBRPLFKS-UHFFFAOYSA-N 1 1 343.387 2.572 20 5 EDBDMO COc1ccc(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000525307670 447994993 /nfs/dbraw/zinc/99/49/93/447994993.db2.gz FUIXNUGCPOHPRQ-NSHDSACASA-N 1 1 343.405 1.224 20 5 EDBDMO COc1ccc(CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000525540228 448003687 /nfs/dbraw/zinc/00/36/87/448003687.db2.gz NCJWOUWIXGMGCI-GXTWGEPZSA-N 1 1 335.404 1.945 20 5 EDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COC[C@H]1CCCO1)CC2 ZINC000532038871 448186416 /nfs/dbraw/zinc/18/64/16/448186416.db2.gz ZXYPHZAOGZYWON-IAGOWNOFSA-N 1 1 336.388 1.509 20 5 EDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COC[C@H]1CCCO1)CC2 ZINC000532038871 448186423 /nfs/dbraw/zinc/18/64/23/448186423.db2.gz ZXYPHZAOGZYWON-IAGOWNOFSA-N 1 1 336.388 1.509 20 5 EDBDMO CNc1nccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000557564404 448186816 /nfs/dbraw/zinc/18/68/16/448186816.db2.gz ITKQRRYAOQHPLA-GFCCVEGCSA-N 1 1 349.435 2.272 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(OC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000571762207 448201326 /nfs/dbraw/zinc/20/13/26/448201326.db2.gz CLHJPBAMTYYODH-RWMBFGLXSA-N 1 1 340.376 1.452 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c(C)cc1[N+](=O)[O-] ZINC000591328804 448324305 /nfs/dbraw/zinc/32/43/05/448324305.db2.gz 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C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000788604910 580725722 /nfs/dbraw/zinc/72/57/22/580725722.db2.gz NFCZYZBPRFAZGX-QWRGUYRKSA-N 1 1 341.795 1.775 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000790877490 580780431 /nfs/dbraw/zinc/78/04/31/580780431.db2.gz ROYJYETVPFIQKS-ZDUSSCGKSA-N 1 1 341.433 1.974 20 5 EDBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000791246052 580787275 /nfs/dbraw/zinc/78/72/75/580787275.db2.gz RMRJULFXLYOIEO-UHFFFAOYSA-N 1 1 335.751 1.934 20 5 EDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000794983638 580909922 /nfs/dbraw/zinc/90/99/22/580909922.db2.gz MRDJNGVVIGPGEW-BARDWOONSA-N 1 1 345.355 1.051 20 5 EDBDMO C[C@@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000727742090 591319924 /nfs/dbraw/zinc/31/99/24/591319924.db2.gz DYKVORUGLVFCJD-NSHDSACASA-N 1 1 331.376 1.543 20 5 EDBDMO C[N@@H+]1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[C@H]1CO ZINC000894882134 591455164 /nfs/dbraw/zinc/45/51/64/591455164.db2.gz RIHMMZXDVKHRNN-NSHDSACASA-N 1 1 336.779 1.909 20 5 EDBDMO C[N@H+]1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[C@H]1CO ZINC000894882134 591455166 /nfs/dbraw/zinc/45/51/66/591455166.db2.gz RIHMMZXDVKHRNN-NSHDSACASA-N 1 1 336.779 1.909 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CC[N@H+]3C3CCOCC3)nn21 ZINC000896521183 591490514 /nfs/dbraw/zinc/49/05/14/591490514.db2.gz HYPUNJXHJMOCNO-GFCCVEGCSA-N 1 1 332.364 1.303 20 5 EDBDMO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1C[N@@H+](C)CCN1C ZINC000896570871 591532047 /nfs/dbraw/zinc/53/20/47/591532047.db2.gz FWDAMOVDYXDJJP-ZBEGNZNMSA-N 1 1 345.403 1.440 20 5 EDBDMO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896570871 591532051 /nfs/dbraw/zinc/53/20/51/591532051.db2.gz FWDAMOVDYXDJJP-ZBEGNZNMSA-N 1 1 345.403 1.440 20 5 EDBDMO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CN(C)CC[N@H+]1C ZINC000896570871 591532053 /nfs/dbraw/zinc/53/20/53/591532053.db2.gz FWDAMOVDYXDJJP-ZBEGNZNMSA-N 1 1 345.403 1.440 20 5 EDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897220212 591775374 /nfs/dbraw/zinc/77/53/74/591775374.db2.gz UUFWYATYCFTCRP-SJORKVTESA-N 1 1 333.388 1.833 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000903208370 592138354 /nfs/dbraw/zinc/13/83/54/592138354.db2.gz JDQAHOWBIZFEND-ZDUSSCGKSA-N 1 1 339.417 1.680 20 5 EDBDMO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000903214967 592140502 /nfs/dbraw/zinc/14/05/02/592140502.db2.gz CJPXRJQYXWIZDM-LLVKDONJSA-N 1 1 341.389 1.072 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1C ZINC000903215280 592140633 /nfs/dbraw/zinc/14/06/33/592140633.db2.gz FPVHVFSDEDVAMC-CYBMUJFWSA-N 1 1 339.417 1.680 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@]2(C)C1 ZINC000904437864 592254146 /nfs/dbraw/zinc/25/41/46/592254146.db2.gz VOHPXSLEEULVDH-PBHICJAKSA-N 1 1 342.403 1.694 20 5 EDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000901284315 592325687 /nfs/dbraw/zinc/32/56/87/592325687.db2.gz ALXSMEYHERTYQY-RYUDHWBXSA-N 1 1 349.387 1.921 20 5 EDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000901284315 592325692 /nfs/dbraw/zinc/32/56/92/592325692.db2.gz ALXSMEYHERTYQY-RYUDHWBXSA-N 1 1 349.387 1.921 20 5 EDBDMO CN(C)Cc1csc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000905534299 592554553 /nfs/dbraw/zinc/55/45/53/592554553.db2.gz XIQHCOREVNECSJ-CQSZACIVSA-N 1 1 336.417 1.936 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2nc3c(s2)COCC3)c1 ZINC000905621366 592587831 /nfs/dbraw/zinc/58/78/31/592587831.db2.gz OJTSRGMDQMUJJN-ZDUSSCGKSA-N 1 1 335.385 1.947 20 5 EDBDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000908969384 592686079 /nfs/dbraw/zinc/68/60/79/592686079.db2.gz TTZFEVRCBLRYEP-LESCRADOSA-N 1 1 347.415 1.756 20 5 EDBDMO O=C(NCC[N@@H+]1CC=CCC1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000907885688 592829651 /nfs/dbraw/zinc/82/96/51/592829651.db2.gz MZUJAVVHMRDOJH-UHFFFAOYSA-N 1 1 347.371 1.748 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)CC[C@H]21 ZINC000794635236 593184184 /nfs/dbraw/zinc/18/41/84/593184184.db2.gz VANWPYQZSURQBD-CHWSQXEVSA-N 1 1 346.387 1.876 20 5 EDBDMO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000802134289 593221682 /nfs/dbraw/zinc/22/16/82/593221682.db2.gz FPCLZIKVYWNKGA-AWEZNQCLSA-N 1 1 326.324 2.000 20 5 EDBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000802134289 593221684 /nfs/dbraw/zinc/22/16/84/593221684.db2.gz FPCLZIKVYWNKGA-AWEZNQCLSA-N 1 1 326.324 2.000 20 5 EDBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000808160107 593231073 /nfs/dbraw/zinc/23/10/73/593231073.db2.gz NBZGUOYJPMTLQJ-RYUDHWBXSA-N 1 1 339.779 1.529 20 5 EDBDMO CC[N@@H+](C[C@@H]1CCOC1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839997574 593321171 /nfs/dbraw/zinc/32/11/71/593321171.db2.gz FGXIOHGIRAQZES-SUMWQHHRSA-N 1 1 349.387 1.848 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803498018 593337134 /nfs/dbraw/zinc/33/71/34/593337134.db2.gz PEYGBYMFRIYMNS-OAHLLOKOSA-N 1 1 337.376 1.971 20 5 EDBDMO CC(C)[C@@H](C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[NH+](C)C ZINC000803695907 593356339 /nfs/dbraw/zinc/35/63/39/593356339.db2.gz FXPFHBHHQCSKEM-GJZGRUSLSA-N 1 1 349.387 1.830 20 5 EDBDMO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839707118 593372074 /nfs/dbraw/zinc/37/20/74/593372074.db2.gz SHZOLVDKJNLMJU-GHMZBOCLSA-N 1 1 325.331 1.774 20 5 EDBDMO C[C@H](O)C[C@@H]1CCC[N@@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840029683 593393957 /nfs/dbraw/zinc/39/39/57/593393957.db2.gz DWVHVKXFWCIJIN-JDFRZJQESA-N 1 1 349.387 1.725 20 5 EDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840029683 593393960 /nfs/dbraw/zinc/39/39/60/593393960.db2.gz DWVHVKXFWCIJIN-JDFRZJQESA-N 1 1 349.387 1.725 20 5 EDBDMO C[S@](=O)CC[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000769480864 593444108 /nfs/dbraw/zinc/44/41/08/593444108.db2.gz PHDSJIVJFLZJKV-IUIUGSMNSA-N 1 1 337.445 1.604 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(OC(C)=O)CC2)c1 ZINC000811464245 593471547 /nfs/dbraw/zinc/47/15/47/593471547.db2.gz TWMCVGRZTXDOKH-UHFFFAOYSA-N 1 1 336.344 1.909 20 5 EDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000814172035 593577459 /nfs/dbraw/zinc/57/74/59/593577459.db2.gz WTUGCQWWGRAKGW-LLVKDONJSA-N 1 1 347.824 1.714 20 5 EDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000814172035 593577461 /nfs/dbraw/zinc/57/74/61/593577461.db2.gz WTUGCQWWGRAKGW-LLVKDONJSA-N 1 1 347.824 1.714 20 5 EDBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[NH2+]C[C@H]1C(F)F ZINC000818585603 593706047 /nfs/dbraw/zinc/70/60/47/593706047.db2.gz ILXJUGRXOUTBPU-LBPRGKRZSA-N 1 1 339.302 1.010 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820752789 593881194 /nfs/dbraw/zinc/88/11/94/593881194.db2.gz RTODZHQDJHRBRJ-NOZJJQNGSA-N 1 1 329.364 1.670 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821165787 593981207 /nfs/dbraw/zinc/98/12/07/593981207.db2.gz WAQLJUPUOIAYIT-NSHDSACASA-N 1 1 331.380 1.553 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](c3ccccc3C)C2)n1 ZINC000825169501 594140949 /nfs/dbraw/zinc/14/09/49/594140949.db2.gz MFDPQSDKXHSMSZ-AWEZNQCLSA-N 1 1 343.387 1.906 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000823264469 594177688 /nfs/dbraw/zinc/17/76/88/594177688.db2.gz XUJHWPFIIADZPU-AWEZNQCLSA-N 1 1 335.404 1.788 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)n1 ZINC000826669142 594550839 /nfs/dbraw/zinc/55/08/39/594550839.db2.gz ZGGQOFNKILMZBK-ZDUSSCGKSA-N 1 1 335.408 1.855 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827321847 594661090 /nfs/dbraw/zinc/66/10/90/594661090.db2.gz WKNNWQRMANVZHA-KGLIPLIRSA-N 1 1 347.371 1.339 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000827340349 594662663 /nfs/dbraw/zinc/66/26/63/594662663.db2.gz ZGMHXGPZBMDIOZ-ZIAGYGMSSA-N 1 1 333.388 1.916 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827367361 594665391 /nfs/dbraw/zinc/66/53/91/594665391.db2.gz UTHLPYUBHAACOI-IUODEOHRSA-N 1 1 332.404 1.827 20 5 EDBDMO Cc1cc(C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000827473353 594675457 /nfs/dbraw/zinc/67/54/57/594675457.db2.gz IHTOUKRKTOQHBN-UHFFFAOYSA-N 1 1 346.431 1.755 20 5 EDBDMO C[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000833426860 594846322 /nfs/dbraw/zinc/84/63/22/594846322.db2.gz RNZFHSFXYDMLLW-DYVFJYSZSA-N 1 1 347.415 1.961 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1Cl ZINC000843999179 595238359 /nfs/dbraw/zinc/23/83/59/595238359.db2.gz GZVZMWPOZPOMLO-LLVKDONJSA-N 1 1 339.779 1.448 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1Cl ZINC000843999179 595238362 /nfs/dbraw/zinc/23/83/62/595238362.db2.gz GZVZMWPOZPOMLO-LLVKDONJSA-N 1 1 339.779 1.448 20 5 EDBDMO CC[NH2+]Cc1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 ZINC000843140998 595294625 /nfs/dbraw/zinc/29/46/25/595294625.db2.gz GUJUXQLNGDYELU-UHFFFAOYSA-N 1 1 333.348 1.591 20 5 EDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000845344371 595482422 /nfs/dbraw/zinc/48/24/22/595482422.db2.gz VWQIJADOFCMVHZ-KGLIPLIRSA-N 1 1 337.351 1.256 20 5 EDBDMO COC(=O)[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C[C@H]1C ZINC000853518829 595780983 /nfs/dbraw/zinc/78/09/83/595780983.db2.gz UNTHVWPGTQJFFD-VXGBXAGGSA-N 1 1 345.359 1.552 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C[C@H]1C ZINC000853518829 595780986 /nfs/dbraw/zinc/78/09/86/595780986.db2.gz UNTHVWPGTQJFFD-VXGBXAGGSA-N 1 1 345.359 1.552 20 5 EDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853588558 595817237 /nfs/dbraw/zinc/81/72/37/595817237.db2.gz FCWWUFBVPZDGBT-XNJGSVPQSA-N 1 1 347.371 1.458 20 5 EDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853588558 595817242 /nfs/dbraw/zinc/81/72/42/595817242.db2.gz FCWWUFBVPZDGBT-XNJGSVPQSA-N 1 1 347.371 1.458 20 5 EDBDMO CNc1ccc(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000861340532 595948395 /nfs/dbraw/zinc/94/83/95/595948395.db2.gz INIRHXPLXNCHNE-BLLLJJGKSA-N 1 1 337.376 1.903 20 5 EDBDMO COc1c(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@H+]2C)cccc1[N+](=O)[O-] ZINC000861350581 595957283 /nfs/dbraw/zinc/95/72/83/595957283.db2.gz DSTXPUNUVINEIL-MEDUHNTESA-N 1 1 338.360 1.869 20 5 EDBDMO CC1([NH+]2CCOCC2)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000859775936 596194474 /nfs/dbraw/zinc/19/44/74/596194474.db2.gz MERDBHWDDDYUOV-KRWDZBQOSA-N 1 1 349.431 1.815 20 5 EDBDMO CC1([NH+]2CCOCC2)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000859777740 596194993 /nfs/dbraw/zinc/19/49/93/596194993.db2.gz XBVBHDAWGZRPKN-QGZVFWFLSA-N 1 1 349.431 1.815 20 5 EDBDMO C[C@]([NH3+])(C(=O)N1CC[C@@H]2CSC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000870980248 596427693 /nfs/dbraw/zinc/42/76/93/596427693.db2.gz NBCKHYOYSHRNSA-BFQNTYOBSA-N 1 1 335.429 1.980 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000867811642 596563455 /nfs/dbraw/zinc/56/34/55/596563455.db2.gz FDFVSDFMAMWTIR-TZMCWYRMSA-N 1 1 339.417 1.451 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867814254 596566533 /nfs/dbraw/zinc/56/65/33/596566533.db2.gz MJZDLDJZVHDMIZ-STQMWFEESA-N 1 1 339.417 1.618 20 5 EDBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865736882 596664395 /nfs/dbraw/zinc/66/43/95/596664395.db2.gz SZYPBILVPIWXKK-UHFFFAOYSA-N 1 1 341.383 1.773 20 5 EDBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865736882 596664398 /nfs/dbraw/zinc/66/43/98/596664398.db2.gz SZYPBILVPIWXKK-UHFFFAOYSA-N 1 1 341.383 1.773 20 5 EDBDMO COc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000868081359 596679070 /nfs/dbraw/zinc/67/90/70/596679070.db2.gz UQWSANSQPCOGGJ-UONOGXRCSA-N 1 1 348.403 1.839 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CC[C@@H]21 ZINC000866208232 596827870 /nfs/dbraw/zinc/82/78/70/596827870.db2.gz LJFNMOOSGOLKLZ-HZMBPMFUSA-N 1 1 329.360 1.774 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000874844431 597196956 /nfs/dbraw/zinc/19/69/56/597196956.db2.gz RYTMDTGOSSSGGA-CABCVRRESA-N 1 1 337.351 1.808 20 5 EDBDMO NC(=O)[C@@H](C1CC1)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000879491583 597606133 /nfs/dbraw/zinc/60/61/33/597606133.db2.gz JOCROILKMLSHGL-MRXNPFEDSA-N 1 1 333.388 1.950 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879574416 597637267 /nfs/dbraw/zinc/63/72/67/597637267.db2.gz CIGPLZGTQNZUQK-IUODEOHRSA-N 1 1 348.403 1.568 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879575778 597639184 /nfs/dbraw/zinc/63/91/84/597639184.db2.gz OVVBMZDGWFNTHX-HIFRSBDPSA-N 1 1 332.404 1.949 20 5 EDBDMO CC1(C)C[C@@H](O)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000879623534 597663289 /nfs/dbraw/zinc/66/32/89/597663289.db2.gz ZXYOMFCTSOSJGN-HUUCEWRRSA-N 1 1 333.388 1.793 20 5 EDBDMO CC1(C)C[C@@H](O)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000879623534 597663290 /nfs/dbraw/zinc/66/32/90/597663290.db2.gz ZXYOMFCTSOSJGN-HUUCEWRRSA-N 1 1 333.388 1.793 20 5 EDBDMO O=C1NCCO[C@@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000879720442 597701454 /nfs/dbraw/zinc/70/14/54/597701454.db2.gz YJZSUAARSWPOJM-HZPDHXFCSA-N 1 1 349.387 1.343 20 5 EDBDMO O=C1NCCO[C@@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000879720442 597701457 /nfs/dbraw/zinc/70/14/57/597701457.db2.gz YJZSUAARSWPOJM-HZPDHXFCSA-N 1 1 349.387 1.343 20 5 EDBDMO CC(C)(O)[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000880146116 597856955 /nfs/dbraw/zinc/85/69/55/597856955.db2.gz KQBQKTPQSJDTPH-IUODEOHRSA-N 1 1 333.388 1.793 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880584180 597971029 /nfs/dbraw/zinc/97/10/29/597971029.db2.gz GEWDPMFWIXPHAM-OAHLLOKOSA-N 1 1 336.388 1.967 20 5 EDBDMO CCN1CC[C@H]1CNc1nc(NC[C@H]2CC[N@@H+]2CC)ncc1[N+](=O)[O-] ZINC000882958852 598117030 /nfs/dbraw/zinc/11/70/30/598117030.db2.gz MLGGDGYQXLJQBM-QWHCGFSZSA-N 1 1 349.439 1.397 20 5 EDBDMO CCN1CC[C@H]1CNc1nc(NC[C@H]2CC[N@H+]2CC)ncc1[N+](=O)[O-] ZINC000882958852 598117032 /nfs/dbraw/zinc/11/70/32/598117032.db2.gz MLGGDGYQXLJQBM-QWHCGFSZSA-N 1 1 349.439 1.397 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000882961201 598118124 /nfs/dbraw/zinc/11/81/24/598118124.db2.gz HSLZYKMCJXIFMM-CQSZACIVSA-N 1 1 348.403 1.573 20 5 EDBDMO Cc1ncncc1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031555844 697240424 /nfs/dbraw/zinc/24/04/24/697240424.db2.gz XNJUTMZGKMUVPK-UHFFFAOYSA-N 1 1 341.371 1.555 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1 ZINC000997772706 704674396 /nfs/dbraw/zinc/67/43/96/704674396.db2.gz QTODEJQUKYIPMG-HUUCEWRRSA-N 1 1 336.367 1.214 20 5 EDBDMO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1cnns1 ZINC001002411774 708918784 /nfs/dbraw/zinc/91/87/84/708918784.db2.gz OCFACNVWULMYOW-UHFFFAOYSA-N 1 1 347.400 1.841 20 5 EDBDMO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000174867395 231329190 /nfs/dbraw/zinc/32/91/90/231329190.db2.gz ORTYYMQXTLJZHN-KGLIPLIRSA-N 1 1 347.419 1.877 20 5 EDBDMO C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000174867395 231329192 /nfs/dbraw/zinc/32/91/92/231329192.db2.gz ORTYYMQXTLJZHN-KGLIPLIRSA-N 1 1 347.419 1.877 20 5 EDBDMO CC[C@H](C)C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154138423 529659115 /nfs/dbraw/zinc/65/91/15/529659115.db2.gz VFARPXYYIGSGOL-ZDUSSCGKSA-N 1 1 341.433 1.947 20 5 EDBDMO C[N@@H+](CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000186795198 529891432 /nfs/dbraw/zinc/89/14/32/529891432.db2.gz VENBJDWKMUWCTR-UHFFFAOYSA-N 1 1 344.371 1.947 20 5 EDBDMO CCC[NH+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067148262 215117731 /nfs/dbraw/zinc/11/77/31/215117731.db2.gz CVLLBYXXAYLBPN-UHFFFAOYSA-N 1 1 344.375 1.343 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000104063679 219343807 /nfs/dbraw/zinc/34/38/07/219343807.db2.gz AHSBVXFTXAGSEF-MRXNPFEDSA-N 1 1 348.403 1.688 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000104063679 219343809 /nfs/dbraw/zinc/34/38/09/219343809.db2.gz AHSBVXFTXAGSEF-MRXNPFEDSA-N 1 1 348.403 1.688 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000104496637 219390193 /nfs/dbraw/zinc/39/01/93/219390193.db2.gz TZIYHKMICCXOOL-STQMWFEESA-N 1 1 348.403 1.123 20 5 EDBDMO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000184200084 235331391 /nfs/dbraw/zinc/33/13/91/235331391.db2.gz VTHMZGWCPKIFSC-VHSXEESVSA-N 1 1 325.340 1.828 20 5 EDBDMO COc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000184200084 235331393 /nfs/dbraw/zinc/33/13/93/235331393.db2.gz VTHMZGWCPKIFSC-VHSXEESVSA-N 1 1 325.340 1.828 20 5 EDBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187004941 236092128 /nfs/dbraw/zinc/09/21/28/236092128.db2.gz WLONQZPXGVYKOH-NSHDSACASA-N 1 1 336.392 1.936 20 5 EDBDMO CC[N@H+]1CC[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000413852923 304081328 /nfs/dbraw/zinc/08/13/28/304081328.db2.gz HCCUZMZSENPALR-ZDUSSCGKSA-N 1 1 334.376 1.593 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)C(=O)C1(C)C ZINC000129933930 223105133 /nfs/dbraw/zinc/10/51/33/223105133.db2.gz YXJJCYKHFYRKON-UHFFFAOYSA-N 1 1 348.403 1.784 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000129933930 223105134 /nfs/dbraw/zinc/10/51/34/223105134.db2.gz YXJJCYKHFYRKON-UHFFFAOYSA-N 1 1 348.403 1.784 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000072639688 216287052 /nfs/dbraw/zinc/28/70/52/216287052.db2.gz RKKOWZVQRRYZRJ-GXTWGEPZSA-N 1 1 346.387 1.537 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)CO1 ZINC000247205026 139140372 /nfs/dbraw/zinc/14/03/72/139140372.db2.gz CETIJQIAIILQCY-XOKHGSTOSA-N 1 1 346.387 1.614 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)CO1 ZINC000247205026 139140373 /nfs/dbraw/zinc/14/03/73/139140373.db2.gz CETIJQIAIILQCY-XOKHGSTOSA-N 1 1 346.387 1.614 20 5 EDBDMO COc1cc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000248639065 139169680 /nfs/dbraw/zinc/16/96/80/139169680.db2.gz WMDZTVNIMGSJSS-NEPJUHHUSA-N 1 1 341.383 1.629 20 5 EDBDMO [NH3+]CC(F)(F)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000568876915 306491555 /nfs/dbraw/zinc/49/15/55/306491555.db2.gz VKMXFVIOTWLKTK-UHFFFAOYSA-N 1 1 328.319 1.228 20 5 EDBDMO CNc1nc(C(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000425299158 252303992 /nfs/dbraw/zinc/30/39/92/252303992.db2.gz DVEMHTMOZPWNMB-UHFFFAOYSA-N 1 1 344.375 1.850 20 5 EDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000112363987 220314967 /nfs/dbraw/zinc/31/49/67/220314967.db2.gz WCSCEERTPDIOGN-UHFFFAOYSA-N 1 1 333.385 1.744 20 5 EDBDMO COC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000112628241 220359359 /nfs/dbraw/zinc/35/93/59/220359359.db2.gz TWNUOLZXHTYCHB-CQSZACIVSA-N 1 1 335.360 1.869 20 5 EDBDMO COC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000112628241 220359362 /nfs/dbraw/zinc/35/93/62/220359362.db2.gz TWNUOLZXHTYCHB-CQSZACIVSA-N 1 1 335.360 1.869 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000263798217 139361165 /nfs/dbraw/zinc/36/11/65/139361165.db2.gz SFZSOJJQXKVMEH-UHFFFAOYSA-N 1 1 334.376 1.244 20 5 EDBDMO Cc1c(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000153745181 224151599 /nfs/dbraw/zinc/15/15/99/224151599.db2.gz QMCCGWZQBRVBDW-NSHDSACASA-N 1 1 336.348 1.978 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493145522 255193227 /nfs/dbraw/zinc/19/32/27/255193227.db2.gz DLXYIQSTBUSGJV-KTKRTIGZSA-N 1 1 334.420 1.608 20 5 EDBDMO CN(CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000493145522 255193228 /nfs/dbraw/zinc/19/32/28/255193228.db2.gz DLXYIQSTBUSGJV-KTKRTIGZSA-N 1 1 334.420 1.608 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000494887151 255264170 /nfs/dbraw/zinc/26/41/70/255264170.db2.gz BYUJFZJOXAIHKU-UHFFFAOYSA-N 1 1 347.379 1.343 20 5 EDBDMO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000270625837 140136566 /nfs/dbraw/zinc/13/65/66/140136566.db2.gz HYAOHQIXNRDJMN-DOMZBBRYSA-N 1 1 329.360 1.802 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000416298087 304305503 /nfs/dbraw/zinc/30/55/03/304305503.db2.gz QLDRVILBBBVATM-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000416298087 304305504 /nfs/dbraw/zinc/30/55/04/304305504.db2.gz QLDRVILBBBVATM-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000330664476 140900690 /nfs/dbraw/zinc/90/06/90/140900690.db2.gz QTRSHTIFAMHYNL-GFCCVEGCSA-N 1 1 339.417 1.841 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339393597 142035696 /nfs/dbraw/zinc/03/56/96/142035696.db2.gz KLWPYFRUMTVENE-WBVHZDCISA-N 1 1 335.404 1.769 20 5 EDBDMO C[C@H]1C[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H](C)N1C ZINC000339622525 142098372 /nfs/dbraw/zinc/09/83/72/142098372.db2.gz ZUDMGIGHSLDLFL-STQMWFEESA-N 1 1 348.403 1.917 20 5 EDBDMO O=[N+]([O-])c1cnccc1NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000340157168 142286436 /nfs/dbraw/zinc/28/64/36/142286436.db2.gz CLRXRZYARVVLNW-UHFFFAOYSA-N 1 1 342.403 1.431 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C(N)=O ZINC000346655134 143227120 /nfs/dbraw/zinc/22/71/20/143227120.db2.gz KNJAOBLNJBREDH-CABZTGNLSA-N 1 1 331.332 1.198 20 5 EDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)n2nccc2[nH]1 ZINC000352571663 149068557 /nfs/dbraw/zinc/06/85/57/149068557.db2.gz XMICECJAYLWIIY-UHFFFAOYSA-N 1 1 327.344 1.605 20 5 EDBDMO COCC[C@@](C)(O)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353531607 149441486 /nfs/dbraw/zinc/44/14/86/149441486.db2.gz VSARHWCDHWJVQV-DOTOQJQBSA-N 1 1 348.403 1.795 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCS(=O)(=O)[C@@H]1C ZINC000353863998 149557051 /nfs/dbraw/zinc/55/70/51/149557051.db2.gz HOJMMQRTWPQJQP-MFKMUULPSA-N 1 1 328.390 1.659 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355313140 150212074 /nfs/dbraw/zinc/21/20/74/150212074.db2.gz GQUGOYKFAMSGRF-HZPDHXFCSA-N 1 1 349.387 1.295 20 5 EDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000355671737 150355801 /nfs/dbraw/zinc/35/58/01/150355801.db2.gz NFHXUZMWENQJJF-LBPRGKRZSA-N 1 1 337.376 1.132 20 5 EDBDMO Cc1nn(C)c(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000355713025 150370244 /nfs/dbraw/zinc/37/02/44/150370244.db2.gz FDMCYGXMVCHEAY-KRWDZBQOSA-N 1 1 345.403 1.686 20 5 EDBDMO COC(=O)CN1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000370027492 155288770 /nfs/dbraw/zinc/28/87/70/155288770.db2.gz QGBACGCEIWZELJ-UHFFFAOYSA-N 1 1 337.376 1.154 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000357824423 151162573 /nfs/dbraw/zinc/16/25/73/151162573.db2.gz CKPNGFOFQCKWOA-LBPRGKRZSA-N 1 1 335.360 1.597 20 5 EDBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000360619429 152126697 /nfs/dbraw/zinc/12/66/97/152126697.db2.gz ZDJLOCWZEYHOGV-STQMWFEESA-N 1 1 348.403 1.184 20 5 EDBDMO CC[C@H]1CN(c2c([N+](=O)[O-])nc(C)n2CC)CC[N@H+]1C[C@H](C)O ZINC000360901377 152246691 /nfs/dbraw/zinc/24/66/91/152246691.db2.gz IQJDADNOZPBHOV-AAEUAGOBSA-N 1 1 325.413 1.401 20 5 EDBDMO CCOCC[N@@H+]1CCN(c2c([N+](=O)[O-])nc(C)n2CC)C[C@H]1C ZINC000360903723 152247189 /nfs/dbraw/zinc/24/71/89/152247189.db2.gz KJIBFISFBCMAKW-GFCCVEGCSA-N 1 1 325.413 1.667 20 5 EDBDMO CCOCC[N@H+]1CCN(c2c([N+](=O)[O-])nc(C)n2CC)C[C@H]1C ZINC000360903723 152247192 /nfs/dbraw/zinc/24/71/92/152247192.db2.gz KJIBFISFBCMAKW-GFCCVEGCSA-N 1 1 325.413 1.667 20 5 EDBDMO CNc1c(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000361205225 152334879 /nfs/dbraw/zinc/33/48/79/152334879.db2.gz VOZUSSZKZSRBJI-CYBMUJFWSA-N 1 1 349.435 1.250 20 5 EDBDMO CNc1c(C(=O)N2CC[N@H+](CCOC)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361210798 152336721 /nfs/dbraw/zinc/33/67/21/152336721.db2.gz CQONFRIESBXWPU-GFCCVEGCSA-N 1 1 336.392 1.429 20 5 EDBDMO CNc1c(C(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361210798 152336723 /nfs/dbraw/zinc/33/67/23/152336723.db2.gz CQONFRIESBXWPU-GFCCVEGCSA-N 1 1 336.392 1.429 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000370149002 155349378 /nfs/dbraw/zinc/34/93/78/155349378.db2.gz DKXBUQPRWGTBAP-IOASZLSFSA-N 1 1 332.404 1.948 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363688877 153030188 /nfs/dbraw/zinc/03/01/88/153030188.db2.gz DNUXLHHXURLNGR-VXGBXAGGSA-N 1 1 339.779 1.841 20 5 EDBDMO COc1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000363936050 153101665 /nfs/dbraw/zinc/10/16/65/153101665.db2.gz DPXBXMLIVBUZSX-RYUDHWBXSA-N 1 1 349.387 1.969 20 5 EDBDMO COC(=O)c1cc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc(C)c1[N+](=O)[O-] ZINC000364033099 153128877 /nfs/dbraw/zinc/12/88/77/153128877.db2.gz FQVGWHNPAYOOGK-UONOGXRCSA-N 1 1 349.387 1.965 20 5 EDBDMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000364342198 153210118 /nfs/dbraw/zinc/21/01/18/153210118.db2.gz IEUQBKDJRRARGE-HUUCEWRRSA-N 1 1 335.408 1.657 20 5 EDBDMO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000364454872 153242715 /nfs/dbraw/zinc/24/27/15/153242715.db2.gz RQRQHFSMUDCBKG-SJORKVTESA-N 1 1 331.416 1.819 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000364454872 153242718 /nfs/dbraw/zinc/24/27/18/153242718.db2.gz RQRQHFSMUDCBKG-SJORKVTESA-N 1 1 331.416 1.819 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000364454872 153242721 /nfs/dbraw/zinc/24/27/21/153242721.db2.gz RQRQHFSMUDCBKG-SJORKVTESA-N 1 1 331.416 1.819 20 5 EDBDMO Cc1nc(C)n([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000367142010 154021042 /nfs/dbraw/zinc/02/10/42/154021042.db2.gz SSLGIFHGGMNRNN-CQSZACIVSA-N 1 1 346.391 1.302 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000367785493 154268798 /nfs/dbraw/zinc/26/87/98/154268798.db2.gz WPKZKJCZNYBHHS-ITGUQSILSA-N 1 1 335.360 1.102 20 5 EDBDMO CCN1C(=O)[C@H]2C[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCN2C1=O ZINC000368019048 154372310 /nfs/dbraw/zinc/37/23/10/154372310.db2.gz JLHCJHAUGYVGTO-IUODEOHRSA-N 1 1 346.387 1.933 20 5 EDBDMO CCN1C(=O)[C@H]2C[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCN2C1=O ZINC000368019048 154372313 /nfs/dbraw/zinc/37/23/13/154372313.db2.gz JLHCJHAUGYVGTO-IUODEOHRSA-N 1 1 346.387 1.933 20 5 EDBDMO CCc1ccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371844089 156136381 /nfs/dbraw/zinc/13/63/81/156136381.db2.gz IRKHOPXSCCRTDZ-GJZGRUSLSA-N 1 1 333.388 1.750 20 5 EDBDMO Cc1noc(C2C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000374456722 157296985 /nfs/dbraw/zinc/29/69/85/157296985.db2.gz PETPKCRTRSLZQX-UHFFFAOYSA-N 1 1 331.332 1.714 20 5 EDBDMO Cc1c(CC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000160304613 225384682 /nfs/dbraw/zinc/38/46/82/225384682.db2.gz CEYVJLUSDLFEBZ-KRWDZBQOSA-N 1 1 349.431 1.919 20 5 EDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171442557 227081836 /nfs/dbraw/zinc/08/18/36/227081836.db2.gz IWSAAZICACMLNY-LBPRGKRZSA-N 1 1 329.360 1.781 20 5 EDBDMO COCC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000123028914 222203023 /nfs/dbraw/zinc/20/30/23/222203023.db2.gz SPDBCXBQNOTPEX-UHFFFAOYSA-N 1 1 345.346 1.960 20 5 EDBDMO Cc1sc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000123099619 222215306 /nfs/dbraw/zinc/21/53/06/222215306.db2.gz SNARSNUGYJTBOV-SNVBAGLBSA-N 1 1 345.446 1.727 20 5 EDBDMO Cc1cc(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000123175575 222228749 /nfs/dbraw/zinc/22/87/49/222228749.db2.gz JECSYYOSJCXCFQ-KRWDZBQOSA-N 1 1 348.447 1.905 20 5 EDBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000274164202 268111360 /nfs/dbraw/zinc/11/13/60/268111360.db2.gz LNWQTGNIFJRAJB-JTQLQIEISA-N 1 1 334.405 1.912 20 5 EDBDMO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@@H]1O ZINC000275530383 268355829 /nfs/dbraw/zinc/35/58/29/268355829.db2.gz WVXKYROBSJSPEJ-HNNXBMFYSA-N 1 1 333.388 1.577 20 5 EDBDMO CC1(C)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@@H]1O ZINC000275530383 268355831 /nfs/dbraw/zinc/35/58/31/268355831.db2.gz WVXKYROBSJSPEJ-HNNXBMFYSA-N 1 1 333.388 1.577 20 5 EDBDMO O=C(CC[N@H+](CCO)C1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000275795412 268373417 /nfs/dbraw/zinc/37/34/17/268373417.db2.gz FLGPMVLCSGIREL-UHFFFAOYSA-N 1 1 325.340 1.909 20 5 EDBDMO CC(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000275902014 268383850 /nfs/dbraw/zinc/38/38/50/268383850.db2.gz RVYKWTZOSRCSBB-CQSZACIVSA-N 1 1 334.420 1.694 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000275756426 273125261 /nfs/dbraw/zinc/12/52/61/273125261.db2.gz DXYSQJOAXDHKAB-NSHDSACASA-N 1 1 338.364 1.784 20 5 EDBDMO O=C(NCC[N@@H+]1CCCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000275815277 273130499 /nfs/dbraw/zinc/13/04/99/273130499.db2.gz JGUUXUFMDUMSBO-UHFFFAOYSA-N 1 1 327.768 1.700 20 5 EDBDMO O=C(NCC[N@H+]1CCCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000275815277 273130500 /nfs/dbraw/zinc/13/05/00/273130500.db2.gz JGUUXUFMDUMSBO-UHFFFAOYSA-N 1 1 327.768 1.700 20 5 EDBDMO O=C1C[C@]2(CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)CN1 ZINC000278926576 273272563 /nfs/dbraw/zinc/27/25/63/273272563.db2.gz SDBZTBWEEGSWQR-MRXNPFEDSA-N 1 1 343.343 1.357 20 5 EDBDMO O=C1C[C@]2(CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)CN1 ZINC000278926576 273272564 /nfs/dbraw/zinc/27/25/64/273272564.db2.gz SDBZTBWEEGSWQR-MRXNPFEDSA-N 1 1 343.343 1.357 20 5 EDBDMO COC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452034787 274046136 /nfs/dbraw/zinc/04/61/36/274046136.db2.gz FMZZHCZABIIPDX-HNNXBMFYSA-N 1 1 333.388 1.985 20 5 EDBDMO COC[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452034787 274046137 /nfs/dbraw/zinc/04/61/37/274046137.db2.gz FMZZHCZABIIPDX-HNNXBMFYSA-N 1 1 333.388 1.985 20 5 EDBDMO C[C@@H]1CC(O)C[C@H](C)[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000191165861 274283797 /nfs/dbraw/zinc/28/37/97/274283797.db2.gz DIBBVKXDXQTAPN-ODOQXGPZSA-N 1 1 333.388 1.718 20 5 EDBDMO C[C@@H]1CC(O)C[C@H](C)[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000191165861 274283798 /nfs/dbraw/zinc/28/37/98/274283798.db2.gz DIBBVKXDXQTAPN-ODOQXGPZSA-N 1 1 333.388 1.718 20 5 EDBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284928463 274390316 /nfs/dbraw/zinc/39/03/16/274390316.db2.gz ANHYILMCAXVXDL-UHFFFAOYSA-N 1 1 345.359 1.080 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000285336149 274513961 /nfs/dbraw/zinc/51/39/61/274513961.db2.gz YVCLDDHLZYXZID-CYBMUJFWSA-N 1 1 336.392 1.742 20 5 EDBDMO O=C1C[C@@H]([N@H+]2CC[C@@H](C3CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000378304058 275019477 /nfs/dbraw/zinc/01/94/77/275019477.db2.gz FWROXSAVEFMIDT-IUODEOHRSA-N 1 1 329.356 1.959 20 5 EDBDMO C[C@@](O)(CNc1nccc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000413162602 279151664 /nfs/dbraw/zinc/15/16/64/279151664.db2.gz OVMNIMLBDJVCSJ-QGZVFWFLSA-N 1 1 346.387 1.638 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000332654424 280006143 /nfs/dbraw/zinc/00/61/43/280006143.db2.gz YYPYKSJRXYYPKD-WDEREUQCSA-N 1 1 335.360 1.579 20 5 EDBDMO Cc1cc(CNc2ncc([N+](=O)[O-])c(N)n2)cc(N2CCCC2)[nH+]1 ZINC000291112953 289002703 /nfs/dbraw/zinc/00/27/03/289002703.db2.gz LQBVTAKOLSQIDK-UHFFFAOYSA-N 1 1 329.364 1.883 20 5 EDBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000291444437 289067406 /nfs/dbraw/zinc/06/74/06/289067406.db2.gz MPHCKXFDGLEFAI-XMAAMQLLSA-N 1 1 345.399 1.930 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000291608916 289123162 /nfs/dbraw/zinc/12/31/62/289123162.db2.gz AUUWDGRVDKFGPS-HNNXBMFYSA-N 1 1 339.417 1.620 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000292366163 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BBJKEMVDANGJQA-ZYHUDNBSSA-N 1 1 343.405 1.364 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343961318 444695979 /nfs/dbraw/zinc/69/59/79/444695979.db2.gz BBJKEMVDANGJQA-ZYHUDNBSSA-N 1 1 343.405 1.364 20 5 EDBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344052670 444751709 /nfs/dbraw/zinc/75/17/09/444751709.db2.gz IKKVZMIBYYZRPS-DUVNUKRYSA-N 1 1 331.372 1.187 20 5 EDBDMO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000338598875 444767654 /nfs/dbraw/zinc/76/76/54/444767654.db2.gz MPAYIXONWNFOED-LBPRGKRZSA-N 1 1 345.359 1.792 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344092488 444776949 /nfs/dbraw/zinc/77/69/49/444776949.db2.gz VRZVZHUQOMLPPS-SUHUHFCYSA-N 1 1 335.360 1.245 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344092488 444776954 /nfs/dbraw/zinc/77/69/54/444776954.db2.gz VRZVZHUQOMLPPS-SUHUHFCYSA-N 1 1 335.360 1.245 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000341323112 444778435 /nfs/dbraw/zinc/77/84/35/444778435.db2.gz TVLPAGUYMNBOMQ-MLGOLLRUSA-N 1 1 347.419 1.789 20 5 EDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336787047 444795892 /nfs/dbraw/zinc/79/58/92/444795892.db2.gz DEIAYPCHPGWZLI-ZDUSSCGKSA-N 1 1 341.371 1.576 20 5 EDBDMO C[C@H]1[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000344132972 444799553 /nfs/dbraw/zinc/79/95/53/444799553.db2.gz XVUKHQRJBSSWMB-WFASDCNBSA-N 1 1 341.433 1.539 20 5 EDBDMO Cc1nn(CCC(=O)NCCC[N@H+](C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000338680387 444805541 /nfs/dbraw/zinc/80/55/41/444805541.db2.gz XEGJGYXVMARHRV-UHFFFAOYSA-N 1 1 325.413 1.645 20 5 EDBDMO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[NH+](C2CC2)CC1 ZINC000619153430 450418004 /nfs/dbraw/zinc/41/80/04/450418004.db2.gz NNNGYIGAWSTXHO-UHFFFAOYSA-N 1 1 346.431 1.711 20 5 EDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344352725 444913962 /nfs/dbraw/zinc/91/39/62/444913962.db2.gz PAAKIOKJBRLHBB-GFCCVEGCSA-N 1 1 329.360 1.557 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344352725 444913965 /nfs/dbraw/zinc/91/39/65/444913965.db2.gz PAAKIOKJBRLHBB-GFCCVEGCSA-N 1 1 329.360 1.557 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342922314 444943104 /nfs/dbraw/zinc/94/31/04/444943104.db2.gz WJLCLUGYCSJPFE-LLVKDONJSA-N 1 1 332.360 1.527 20 5 EDBDMO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000337242723 445000552 /nfs/dbraw/zinc/00/05/52/445000552.db2.gz HEFLAVAGAWGHAI-UHFFFAOYSA-N 1 1 332.364 1.225 20 5 EDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1(O)CCS(=O)(=O)CC1 ZINC000330603623 445055984 /nfs/dbraw/zinc/05/59/84/445055984.db2.gz HXKAJYVCLFVVOY-UHFFFAOYSA-N 1 1 342.417 1.009 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000330670185 445089274 /nfs/dbraw/zinc/08/92/74/445089274.db2.gz LMTJHEHWUPSPPA-LLVKDONJSA-N 1 1 337.376 1.778 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000330670185 445089275 /nfs/dbraw/zinc/08/92/75/445089275.db2.gz LMTJHEHWUPSPPA-LLVKDONJSA-N 1 1 337.376 1.778 20 5 EDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000330719987 445111015 /nfs/dbraw/zinc/11/10/15/445111015.db2.gz WSFHVESYCBDOPO-QMTHXVAHSA-N 1 1 341.795 1.775 20 5 EDBDMO Cn1nccc1[C@H]1[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC[N@H+]1C ZINC000343355169 445208509 /nfs/dbraw/zinc/20/85/09/445208509.db2.gz RBMDTHFUUQHTSZ-XHDPSFHLSA-N 1 1 346.391 1.469 20 5 EDBDMO CCOC(=O)c1ccnc(N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000348175555 445304434 /nfs/dbraw/zinc/30/44/34/445304434.db2.gz OLYKGEHRTZDNMQ-GFCCVEGCSA-N 1 1 334.376 1.839 20 5 EDBDMO COc1ccc(NC(=O)CN(C)[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000348185868 445309856 /nfs/dbraw/zinc/30/98/56/445309856.db2.gz ABIGPAXMXCJNJB-ZDUSSCGKSA-N 1 1 348.403 1.710 20 5 EDBDMO Cn1cc(C[N@@H+](C)[C@H]2COC[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000348648130 445343904 /nfs/dbraw/zinc/34/39/04/445343904.db2.gz RIDRMYCUXPWUBM-GJZGRUSLSA-N 1 1 332.360 1.187 20 5 EDBDMO Cc1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000348709012 445350399 /nfs/dbraw/zinc/35/03/99/445350399.db2.gz BAXITBQLMPZYNO-UHFFFAOYSA-N 1 1 341.433 1.664 20 5 EDBDMO C[C@@H]1[C@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000357002546 445370872 /nfs/dbraw/zinc/37/08/72/445370872.db2.gz NPASWXNVFSCZKY-OLZOCXBDSA-N 1 1 332.404 1.508 20 5 EDBDMO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])nn1C)[N@@H+](C)Cc1ccccc1 ZINC000357058783 445400769 /nfs/dbraw/zinc/40/07/69/445400769.db2.gz RYKCIOISXWJRER-ZDUSSCGKSA-N 1 1 345.403 1.969 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000357063630 445403284 /nfs/dbraw/zinc/40/32/84/445403284.db2.gz GGVDKWPVZJHHRD-NWDGAFQWSA-N 1 1 336.392 1.566 20 5 EDBDMO COC(=O)c1ccc2c(c1)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000357027754 445382957 /nfs/dbraw/zinc/38/29/57/445382957.db2.gz SMCYNTBZCZCNEU-UHFFFAOYSA-N 1 1 330.344 1.636 20 5 EDBDMO COC(=O)c1ccc2c(c1)C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000357027754 445382962 /nfs/dbraw/zinc/38/29/62/445382962.db2.gz SMCYNTBZCZCNEU-UHFFFAOYSA-N 1 1 330.344 1.636 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000355370798 445456401 /nfs/dbraw/zinc/45/64/01/445456401.db2.gz QSXZCMSKBYMRIK-GJZGRUSLSA-N 1 1 333.388 1.838 20 5 EDBDMO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000349127115 445515676 /nfs/dbraw/zinc/51/56/76/445515676.db2.gz HYKUDLMIZNSRDM-NSHDSACASA-N 1 1 325.340 1.432 20 5 EDBDMO COC(=O)COc1ccc(CNC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000353733621 445730006 /nfs/dbraw/zinc/73/00/06/445730006.db2.gz AOIGZWYOUCDKQB-NSHDSACASA-N 1 1 325.365 1.186 20 5 EDBDMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1 ZINC000361634395 445859570 /nfs/dbraw/zinc/85/95/70/445859570.db2.gz CSHAJPDORISCKK-CVEARBPZSA-N 1 1 333.388 1.395 20 5 EDBDMO CN(CC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000361813959 445967498 /nfs/dbraw/zinc/96/74/98/445967498.db2.gz LHJQIVQFQJZYSP-AWEZNQCLSA-N 1 1 332.404 1.726 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000356749643 445986196 /nfs/dbraw/zinc/98/61/96/445986196.db2.gz XXNNTKYWUBDQMB-UHFFFAOYSA-N 1 1 335.339 1.329 20 5 EDBDMO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000369287700 446048941 /nfs/dbraw/zinc/04/89/41/446048941.db2.gz JZXSQFUWUKBOTB-ZDUSSCGKSA-N 1 1 327.406 1.417 20 5 EDBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000369287700 446048946 /nfs/dbraw/zinc/04/89/46/446048946.db2.gz JZXSQFUWUKBOTB-ZDUSSCGKSA-N 1 1 327.406 1.417 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000373141674 446056094 /nfs/dbraw/zinc/05/60/94/446056094.db2.gz QHNRCHWPSZAERS-CABCVRRESA-N 1 1 335.404 1.895 20 5 EDBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000369319918 446071883 /nfs/dbraw/zinc/07/18/83/446071883.db2.gz SBOWEXMMDLIZRC-NSHDSACASA-N 1 1 334.376 1.784 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000369359140 446101350 /nfs/dbraw/zinc/10/13/50/446101350.db2.gz PHTDGIWTHUDWRD-KRWDZBQOSA-N 1 1 348.447 1.685 20 5 EDBDMO O=C(C[NH2+][C@@H](CO)c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000359523588 446275586 /nfs/dbraw/zinc/27/55/86/446275586.db2.gz UFVPWIABNAKVKW-AWEZNQCLSA-N 1 1 333.319 1.996 20 5 EDBDMO Cc1c(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000362288563 446307643 /nfs/dbraw/zinc/30/76/43/446307643.db2.gz PZZCFMMRUAQJJK-IAQYHMDHSA-N 1 1 348.359 1.978 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](CO)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000362294495 446309771 /nfs/dbraw/zinc/30/97/71/446309771.db2.gz GBAGCAXNQOWFNK-YPMHNXCESA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](CO)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000362294495 446309774 /nfs/dbraw/zinc/30/97/74/446309774.db2.gz GBAGCAXNQOWFNK-YPMHNXCESA-N 1 1 337.376 1.313 20 5 EDBDMO O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2N1 ZINC000370538204 446323162 /nfs/dbraw/zinc/32/31/62/446323162.db2.gz FLDUYYLGZWXPOA-GHMZBOCLSA-N 1 1 332.360 1.964 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000365889347 446388816 /nfs/dbraw/zinc/38/88/16/446388816.db2.gz XDDBAVDNWVLNJK-LBPRGKRZSA-N 1 1 348.403 1.624 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411351276 446503068 /nfs/dbraw/zinc/50/30/68/446503068.db2.gz FXVWWHWDXWZVCV-YPMHNXCESA-N 1 1 334.376 1.441 20 5 EDBDMO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420339021 446509687 /nfs/dbraw/zinc/50/96/87/446509687.db2.gz LLVJOQGMQDQNGY-ZIAGYGMSSA-N 1 1 332.404 1.855 20 5 EDBDMO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ncc(Br)cn1 ZINC000433009630 446525707 /nfs/dbraw/zinc/52/57/07/446525707.db2.gz UVIVAZSLPXBDEC-MRVPVSSYSA-N 1 1 341.169 1.695 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000420423466 446598660 /nfs/dbraw/zinc/59/86/60/446598660.db2.gz RKXLQBUXMUFJHF-QWRGUYRKSA-N 1 1 327.406 1.583 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@](C)(F)C2)c1 ZINC000423682013 446639906 /nfs/dbraw/zinc/63/99/06/446639906.db2.gz NHJWMBDDZOXMOC-HNNXBMFYSA-N 1 1 325.340 1.767 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](F)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000411600884 446622898 /nfs/dbraw/zinc/62/28/98/446622898.db2.gz FPFAJZVWGZZYCI-QWRGUYRKSA-N 1 1 341.339 1.337 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](F)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000411600884 446622904 /nfs/dbraw/zinc/62/29/04/446622904.db2.gz FPFAJZVWGZZYCI-QWRGUYRKSA-N 1 1 341.339 1.337 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411941549 446750428 /nfs/dbraw/zinc/75/04/28/446750428.db2.gz LQDUHZJRHMWLKG-STQMWFEESA-N 1 1 348.403 1.640 20 5 EDBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)CN1 ZINC000371308127 446762829 /nfs/dbraw/zinc/76/28/29/446762829.db2.gz LGUYAGXWOCKJOM-BBRMVZONSA-N 1 1 333.388 1.964 20 5 EDBDMO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000371283861 446741327 /nfs/dbraw/zinc/74/13/27/446741327.db2.gz MLVPQFHDLCOISQ-GJZGRUSLSA-N 1 1 333.388 1.886 20 5 EDBDMO Cc1cc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000371283861 446741335 /nfs/dbraw/zinc/74/13/35/446741335.db2.gz MLVPQFHDLCOISQ-GJZGRUSLSA-N 1 1 333.388 1.886 20 5 EDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000375493264 446846284 /nfs/dbraw/zinc/84/62/84/446846284.db2.gz AXHLCCXWVWYZHB-LLVKDONJSA-N 1 1 341.795 1.777 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000412091176 446853493 /nfs/dbraw/zinc/85/34/93/446853493.db2.gz QNKQUTUOJZMVAL-VXGBXAGGSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000412091176 446853495 /nfs/dbraw/zinc/85/34/95/446853495.db2.gz QNKQUTUOJZMVAL-VXGBXAGGSA-N 1 1 337.376 1.635 20 5 EDBDMO Cn1ccc(N2CC[C@H]([N@H+](C)CCc3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000375628111 446935672 /nfs/dbraw/zinc/93/56/72/446935672.db2.gz BDEZZFQDDOAWTO-HNNXBMFYSA-N 1 1 343.387 1.608 20 5 EDBDMO Cn1ccc(N2CC[C@H]([N@@H+](C)CCc3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000375628111 446935677 /nfs/dbraw/zinc/93/56/77/446935677.db2.gz BDEZZFQDDOAWTO-HNNXBMFYSA-N 1 1 343.387 1.608 20 5 EDBDMO CC(C)N1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)C1=O ZINC000368662808 447014925 /nfs/dbraw/zinc/01/49/25/447014925.db2.gz KWMVUVHJRGLGTJ-MRXNPFEDSA-N 1 1 332.360 1.500 20 5 EDBDMO CC(C)N1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)C1=O ZINC000368662808 447014928 /nfs/dbraw/zinc/01/49/28/447014928.db2.gz KWMVUVHJRGLGTJ-MRXNPFEDSA-N 1 1 332.360 1.500 20 5 EDBDMO Nc1cc2c(nn1)CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000375799127 447060241 /nfs/dbraw/zinc/06/02/41/447060241.db2.gz YSOCJIRUPFXZLC-UHFFFAOYSA-N 1 1 329.360 1.794 20 5 EDBDMO Nc1cc2c(nn1)CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000375799127 447060248 /nfs/dbraw/zinc/06/02/48/447060248.db2.gz YSOCJIRUPFXZLC-UHFFFAOYSA-N 1 1 329.360 1.794 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)nc2c1 ZINC000444672839 447118891 /nfs/dbraw/zinc/11/88/91/447118891.db2.gz HXEDGEMUUBMSHT-LBPRGKRZSA-N 1 1 341.375 1.975 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](Cn4ccnn4)C3)nc2c1 ZINC000444672839 447118897 /nfs/dbraw/zinc/11/88/97/447118897.db2.gz HXEDGEMUUBMSHT-LBPRGKRZSA-N 1 1 341.375 1.975 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000444166647 447085209 /nfs/dbraw/zinc/08/52/09/447085209.db2.gz JRZLQRYMUNRWDZ-UHFFFAOYSA-N 1 1 329.422 1.745 20 5 EDBDMO COCC[N@H+](C)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000444177514 447088804 /nfs/dbraw/zinc/08/88/04/447088804.db2.gz WYAWBZJUOFAGSB-UHFFFAOYSA-N 1 1 345.421 1.068 20 5 EDBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000444177514 447088809 /nfs/dbraw/zinc/08/88/09/447088809.db2.gz WYAWBZJUOFAGSB-UHFFFAOYSA-N 1 1 345.421 1.068 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000421372718 447144775 /nfs/dbraw/zinc/14/47/75/447144775.db2.gz LPEXWATZBAELBQ-YPMHNXCESA-N 1 1 338.360 1.492 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368816390 447130748 /nfs/dbraw/zinc/13/07/48/447130748.db2.gz KAJYYEYANVFHGB-HNNXBMFYSA-N 1 1 348.403 1.248 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000421521862 447179635 /nfs/dbraw/zinc/17/96/35/447179635.db2.gz AQJUQRFLQPGRIF-HNNXBMFYSA-N 1 1 348.447 1.967 20 5 EDBDMO COC(=O)c1cnc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)s1 ZINC000425492923 447189496 /nfs/dbraw/zinc/18/94/96/447189496.db2.gz UHXKOENGBAJAFS-MRVPVSSYSA-N 1 1 325.350 1.385 20 5 EDBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000425503913 447199481 /nfs/dbraw/zinc/19/94/81/447199481.db2.gz UCZHEBBHKDTZOZ-ZDUSSCGKSA-N 1 1 330.348 1.122 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000425503913 447199482 /nfs/dbraw/zinc/19/94/82/447199482.db2.gz UCZHEBBHKDTZOZ-ZDUSSCGKSA-N 1 1 330.348 1.122 20 5 EDBDMO O=C(C[N@@H+]1CC[C@H](c2nnc[nH]2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000425551244 447228103 /nfs/dbraw/zinc/22/81/03/447228103.db2.gz QCTHXWRQRRJZLU-LBPRGKRZSA-N 1 1 342.359 1.092 20 5 EDBDMO O=C(C[N@H+]1CC[C@H](c2nnc[nH]2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000425551244 447228108 /nfs/dbraw/zinc/22/81/08/447228108.db2.gz QCTHXWRQRRJZLU-LBPRGKRZSA-N 1 1 342.359 1.092 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421821436 447261015 /nfs/dbraw/zinc/26/10/15/447261015.db2.gz RJEBPFCSWYQQEH-UHFFFAOYSA-N 1 1 329.356 1.637 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000421865432 447264992 /nfs/dbraw/zinc/26/49/92/447264992.db2.gz MYYDITUBVFRCNJ-KGLIPLIRSA-N 1 1 335.404 1.739 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000421865432 447264995 /nfs/dbraw/zinc/26/49/95/447264995.db2.gz MYYDITUBVFRCNJ-KGLIPLIRSA-N 1 1 335.404 1.739 20 5 EDBDMO COC(=O)c1cc(C(=O)NCC[N@H+]2CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000457081461 447510583 /nfs/dbraw/zinc/51/05/83/447510583.db2.gz VRYIKEJFNOOIKJ-UHFFFAOYSA-N 1 1 349.387 1.986 20 5 EDBDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000450790865 447577921 /nfs/dbraw/zinc/57/79/21/447577921.db2.gz HRTVEOWPWVOGOJ-SKDRFNHKSA-N 1 1 325.340 1.955 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450798347 447580593 /nfs/dbraw/zinc/58/05/93/447580593.db2.gz YUGFVAPIDMVGRO-BETUJISGSA-N 1 1 334.376 1.230 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000416292125 447558149 /nfs/dbraw/zinc/55/81/49/447558149.db2.gz IJEBDINOYRSROX-VXGBXAGGSA-N 1 1 346.387 1.603 20 5 EDBDMO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000488609736 447849368 /nfs/dbraw/zinc/84/93/68/447849368.db2.gz NDFBBRNIMWBREU-CQSZACIVSA-N 1 1 334.376 1.332 20 5 EDBDMO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000488609736 447849369 /nfs/dbraw/zinc/84/93/69/447849369.db2.gz NDFBBRNIMWBREU-CQSZACIVSA-N 1 1 334.376 1.332 20 5 EDBDMO CNc1nccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000575933699 447932379 /nfs/dbraw/zinc/93/23/79/447932379.db2.gz SODAPIPMONDXMY-DGCLKSJQSA-N 1 1 333.392 1.588 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000525602012 448005909 /nfs/dbraw/zinc/00/59/09/448005909.db2.gz DYJFBVDNKZSKPY-UHFFFAOYSA-N 1 1 339.348 1.022 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCO[C@@H]3CCCCO3)CC2)cn1 ZINC000576421804 448052150 /nfs/dbraw/zinc/05/21/50/448052150.db2.gz NEXDJZDPWJPTBI-MRXNPFEDSA-N 1 1 336.392 1.655 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000571153411 448112349 /nfs/dbraw/zinc/11/23/49/448112349.db2.gz CKJGGMMXVPILNH-UHFFFAOYSA-N 1 1 345.359 1.679 20 5 EDBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000556705033 448137943 /nfs/dbraw/zinc/13/79/43/448137943.db2.gz JPDSVCLYLPJVBO-UHFFFAOYSA-N 1 1 349.387 1.970 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1(C)C ZINC000582452803 448240371 /nfs/dbraw/zinc/24/03/71/448240371.db2.gz GAILREXORHZOPC-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1(C)C ZINC000582452803 448240379 /nfs/dbraw/zinc/24/03/79/448240379.db2.gz GAILREXORHZOPC-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO Cc1cc([N+](=O)[O-])cn(C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1=O ZINC000591241514 448296941 /nfs/dbraw/zinc/29/69/41/448296941.db2.gz VLJQRANIZQVWJI-INIZCTEOSA-N 1 1 331.372 1.558 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591377837 448350354 /nfs/dbraw/zinc/35/03/54/448350354.db2.gz IKVZZWKRVUUXOV-GJZGRUSLSA-N 1 1 337.420 1.751 20 5 EDBDMO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000591377837 448350359 /nfs/dbraw/zinc/35/03/59/448350359.db2.gz IKVZZWKRVUUXOV-GJZGRUSLSA-N 1 1 337.420 1.751 20 5 EDBDMO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000591377837 448350369 /nfs/dbraw/zinc/35/03/69/448350369.db2.gz IKVZZWKRVUUXOV-GJZGRUSLSA-N 1 1 337.420 1.751 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000517004404 448519395 /nfs/dbraw/zinc/51/93/95/448519395.db2.gz IMIYIWUXLHNFQR-GJZGRUSLSA-N 1 1 348.447 1.841 20 5 EDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000519794980 448844369 /nfs/dbraw/zinc/84/43/69/448844369.db2.gz VYCHERQSYLOQQM-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000519794980 448844373 /nfs/dbraw/zinc/84/43/73/448844373.db2.gz VYCHERQSYLOQQM-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO NS(=O)(=O)c1cccc(NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000568684581 448904702 /nfs/dbraw/zinc/90/47/02/448904702.db2.gz XJENJKVKILRHFG-SNVBAGLBSA-N 1 1 340.405 1.138 20 5 EDBDMO C[N@H+]1CC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000581149070 448968134 /nfs/dbraw/zinc/96/81/34/448968134.db2.gz SWDZQFSHPBLRCK-KBPBESRZSA-N 1 1 341.371 1.747 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608386 449075975 /nfs/dbraw/zinc/07/59/75/449075975.db2.gz OSLPOOWMFRFMGS-STQMWFEESA-N 1 1 344.375 1.535 20 5 EDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593583152 449089886 /nfs/dbraw/zinc/08/98/86/449089886.db2.gz ZLPZJXRJFDJNFM-NWDGAFQWSA-N 1 1 342.421 1.389 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590280593 449123768 /nfs/dbraw/zinc/12/37/68/449123768.db2.gz IKLGUQBDGUXIJV-BXUZGUMPSA-N 1 1 332.360 1.004 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590442351 449163607 /nfs/dbraw/zinc/16/36/07/449163607.db2.gz FMOSZNOYPALVDQ-XJKSGUPXSA-N 1 1 341.371 1.557 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@@H]1C ZINC000611087436 449165025 /nfs/dbraw/zinc/16/50/25/449165025.db2.gz GSNJFJGKTVZNRP-LBPRGKRZSA-N 1 1 344.375 1.342 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@@H]1C ZINC000611087436 449165028 /nfs/dbraw/zinc/16/50/28/449165028.db2.gz GSNJFJGKTVZNRP-LBPRGKRZSA-N 1 1 344.375 1.342 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000590446409 449167119 /nfs/dbraw/zinc/16/71/19/449167119.db2.gz VBSVAMOMWBBQDI-LRDDRELGSA-N 1 1 341.371 1.557 20 5 EDBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593670293 449140529 /nfs/dbraw/zinc/14/05/29/449140529.db2.gz IAULXPGCCHLDCX-RDJZCZTQSA-N 1 1 346.387 1.549 20 5 EDBDMO Cn1ccnc1[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593670291 449140877 /nfs/dbraw/zinc/14/08/77/449140877.db2.gz IAULXPGCCHLDCX-NVXWUHKLSA-N 1 1 346.387 1.549 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CCCF)CC1 ZINC000600076044 449174667 /nfs/dbraw/zinc/17/46/67/449174667.db2.gz JIECWSKECHSTFF-UHFFFAOYSA-N 1 1 325.340 1.721 20 5 EDBDMO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000595852604 449208358 /nfs/dbraw/zinc/20/83/58/449208358.db2.gz OLCYKMXZNIPJDD-GSJFWJNXSA-N 1 1 336.344 1.845 20 5 EDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000595852604 449208362 /nfs/dbraw/zinc/20/83/62/449208362.db2.gz OLCYKMXZNIPJDD-GSJFWJNXSA-N 1 1 336.344 1.845 20 5 EDBDMO O=[N+]([O-])c1cc(F)c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(F)c1 ZINC000595865131 449217494 /nfs/dbraw/zinc/21/74/94/449217494.db2.gz ZQCGUEMYWLQBML-CYBMUJFWSA-N 1 1 341.358 1.904 20 5 EDBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000590555547 449189199 /nfs/dbraw/zinc/18/91/99/449189199.db2.gz PXUAARREIIEGQB-LBPRGKRZSA-N 1 1 348.403 1.502 20 5 EDBDMO COCC[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593339519 449232635 /nfs/dbraw/zinc/23/26/35/449232635.db2.gz QICDDUSINPQKEB-UHFFFAOYSA-N 1 1 327.406 1.839 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593339519 449232636 /nfs/dbraw/zinc/23/26/36/449232636.db2.gz QICDDUSINPQKEB-UHFFFAOYSA-N 1 1 327.406 1.839 20 5 EDBDMO CNC(=O)C1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611253314 449239160 /nfs/dbraw/zinc/23/91/60/449239160.db2.gz HIMQIEJWQOPIED-UHFFFAOYSA-N 1 1 335.360 1.324 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000590684800 449245756 /nfs/dbraw/zinc/24/57/56/449245756.db2.gz SDMNDAKWCDBJJY-SNVBAGLBSA-N 1 1 325.340 1.909 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000590684800 449245759 /nfs/dbraw/zinc/24/57/59/449245759.db2.gz SDMNDAKWCDBJJY-SNVBAGLBSA-N 1 1 325.340 1.909 20 5 EDBDMO Cc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1[N+](=O)[O-] ZINC000593918460 449286431 /nfs/dbraw/zinc/28/64/31/449286431.db2.gz DUGMHGUVFQNBLY-IJLUTSLNSA-N 1 1 337.380 1.127 20 5 EDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000611515911 449316836 /nfs/dbraw/zinc/31/68/36/449316836.db2.gz KWTYPZDIDCIQRB-UHFFFAOYSA-N 1 1 341.795 1.777 20 5 EDBDMO O=C1C[C@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000596014998 449317553 /nfs/dbraw/zinc/31/75/53/449317553.db2.gz YHZRDRMLPZOPNR-XUJVJEKNSA-N 1 1 345.355 1.195 20 5 EDBDMO O=C1C[C@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000596014998 449317561 /nfs/dbraw/zinc/31/75/61/449317561.db2.gz YHZRDRMLPZOPNR-XUJVJEKNSA-N 1 1 345.355 1.195 20 5 EDBDMO COc1ccc(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000602078859 449327679 /nfs/dbraw/zinc/32/76/79/449327679.db2.gz AHXQPULTJIHPNE-IUODEOHRSA-N 1 1 335.360 1.083 20 5 EDBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000602112495 449355198 /nfs/dbraw/zinc/35/51/98/449355198.db2.gz QTUQFFNHZNGGHS-SJORKVTESA-N 1 1 347.415 1.897 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000598343123 449357999 /nfs/dbraw/zinc/35/79/99/449357999.db2.gz SWMJIAGHQBCAMM-NSHDSACASA-N 1 1 335.360 1.580 20 5 EDBDMO O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602125984 449365366 /nfs/dbraw/zinc/36/53/66/449365366.db2.gz UUQUOCASRHPAKI-NVXWUHKLSA-N 1 1 345.399 1.949 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)C1 ZINC000596128304 449377513 /nfs/dbraw/zinc/37/75/13/449377513.db2.gz HHKBTWUQFBVDGI-LBPRGKRZSA-N 1 1 339.827 1.859 20 5 EDBDMO C[N@H+]1CC[C@](O)(CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596198850 449409533 /nfs/dbraw/zinc/40/95/33/449409533.db2.gz XIZZBNRRCBOXTQ-LBPRGKRZSA-N 1 1 330.182 1.836 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596214606 449420646 /nfs/dbraw/zinc/42/06/46/449420646.db2.gz XFJJZTWIHZLNPJ-GFCCVEGCSA-N 1 1 348.403 1.383 20 5 EDBDMO CCC[N@@H+](C)CC(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000600539835 449431340 /nfs/dbraw/zinc/43/13/40/449431340.db2.gz BXDZJRGOGXNKFL-INIZCTEOSA-N 1 1 337.376 1.441 20 5 EDBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596236891 449432273 /nfs/dbraw/zinc/43/22/73/449432273.db2.gz OCZMQSDWGAJPAA-NSHDSACASA-N 1 1 344.437 1.775 20 5 EDBDMO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000600621168 449462562 /nfs/dbraw/zinc/46/25/62/449462562.db2.gz ZHOCKJQQOWURCH-IXDOHACOSA-N 1 1 347.415 1.895 20 5 EDBDMO C[N@H+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC12CCCCC2 ZINC000596251733 449439776 /nfs/dbraw/zinc/43/97/76/449439776.db2.gz XTMHCBMEHSXBIW-UHFFFAOYSA-N 1 1 333.392 1.543 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598716892 449560554 /nfs/dbraw/zinc/56/05/54/449560554.db2.gz UWVKEFNRAKWEKC-QWRGUYRKSA-N 1 1 327.406 1.583 20 5 EDBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594612898 449594089 /nfs/dbraw/zinc/59/40/89/449594089.db2.gz OTVJNGBLMZWGER-QWHCGFSZSA-N 1 1 343.330 1.447 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594746092 449662930 /nfs/dbraw/zinc/66/29/30/449662930.db2.gz YQNURMUVYNBJLD-GFCCVEGCSA-N 1 1 342.421 1.533 20 5 EDBDMO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000598894684 449634858 /nfs/dbraw/zinc/63/48/58/449634858.db2.gz RJMWYXXBNBYSEU-GFCCVEGCSA-N 1 1 347.375 1.069 20 5 EDBDMO Cn1cc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c([N+](=O)[O-])n1 ZINC000602620366 449710936 /nfs/dbraw/zinc/71/09/36/449710936.db2.gz BDSZRMWYZWYIGU-INIZCTEOSA-N 1 1 327.344 1.424 20 5 EDBDMO COC(=O)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C ZINC000602638682 449723187 /nfs/dbraw/zinc/72/31/87/449723187.db2.gz FMXAQWDXDPHEHW-UHFFFAOYSA-N 1 1 347.375 1.754 20 5 EDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000601178624 449735918 /nfs/dbraw/zinc/73/59/18/449735918.db2.gz AGDZHVVOTRWMKD-DTWKUNHWSA-N 1 1 333.314 1.878 20 5 EDBDMO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(=O)N1CCCCCC1 ZINC000602825518 449836897 /nfs/dbraw/zinc/83/68/97/449836897.db2.gz CKVXDCVJPBWMMS-UHFFFAOYSA-N 1 1 337.424 1.824 20 5 EDBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(=O)N1CCCCCC1 ZINC000602825518 449836903 /nfs/dbraw/zinc/83/69/03/449836903.db2.gz CKVXDCVJPBWMMS-UHFFFAOYSA-N 1 1 337.424 1.824 20 5 EDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000599260703 449838974 /nfs/dbraw/zinc/83/89/74/449838974.db2.gz JMEHQAQMVQAINE-CQSZACIVSA-N 1 1 335.404 1.383 20 5 EDBDMO COc1cc(C[N@@H+]2CCC[C@@](CO)(OC)C2)c([N+](=O)[O-])cc1OC ZINC000597187837 449862835 /nfs/dbraw/zinc/86/28/35/449862835.db2.gz QEUYAZNVZZFXMJ-MRXNPFEDSA-N 1 1 340.376 1.585 20 5 EDBDMO COc1cc(C[N@H+]2CCC[C@@](CO)(OC)C2)c([N+](=O)[O-])cc1OC ZINC000597187837 449862839 /nfs/dbraw/zinc/86/28/39/449862839.db2.gz QEUYAZNVZZFXMJ-MRXNPFEDSA-N 1 1 340.376 1.585 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601357790 449870603 /nfs/dbraw/zinc/87/06/03/449870603.db2.gz WUZUTVCYYBQXEU-MNOVXSKESA-N 1 1 345.396 1.803 20 5 EDBDMO CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@H]1CC[N@@H+](C)C1 ZINC000595110178 449874276 /nfs/dbraw/zinc/87/42/76/449874276.db2.gz JAPOAONVEYPUDM-ZDUSSCGKSA-N 1 1 334.376 1.394 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CCN(c3[nH+]cnc4[nH]ccc43)CC2)cn1 ZINC000608885264 449948423 /nfs/dbraw/zinc/94/84/23/449948423.db2.gz QASJWFKHEIQLND-UHFFFAOYSA-N 1 1 325.332 1.588 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000602917244 449920209 /nfs/dbraw/zinc/92/02/09/449920209.db2.gz ZRBGLBTZZVGLSA-MGPQQGTHSA-N 1 1 336.392 1.763 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989665 449985477 /nfs/dbraw/zinc/98/54/77/449985477.db2.gz YMQMNCKQYQGZDC-CQSZACIVSA-N 1 1 334.420 1.670 20 5 EDBDMO CC(C)(C)C[N@@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609316852 450005171 /nfs/dbraw/zinc/00/51/71/450005171.db2.gz AJAYLRCWZGBKFV-AWEZNQCLSA-N 1 1 326.393 1.675 20 5 EDBDMO CC1(C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1[NH+]1CCOCC1 ZINC000603109773 450072574 /nfs/dbraw/zinc/07/25/74/450072574.db2.gz IAXXHHJANIRANU-RYUDHWBXSA-N 1 1 339.417 1.885 20 5 EDBDMO Cc1noc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000595315033 450029738 /nfs/dbraw/zinc/02/97/38/450029738.db2.gz WPFRQLIPWNLIAI-CQSZACIVSA-N 1 1 337.424 1.493 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000609672937 450082305 /nfs/dbraw/zinc/08/23/05/450082305.db2.gz YYAYQKCSKQUHTJ-AWEZNQCLSA-N 1 1 336.411 1.946 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597606963 450143470 /nfs/dbraw/zinc/14/34/70/450143470.db2.gz ZNZIRWGGXFGOQX-LBPRGKRZSA-N 1 1 335.360 1.880 20 5 EDBDMO C[C@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597693102 450201381 /nfs/dbraw/zinc/20/13/81/450201381.db2.gz AWVOWIACCPICMQ-AWEZNQCLSA-N 1 1 346.431 1.404 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000610403355 450207350 /nfs/dbraw/zinc/20/73/50/450207350.db2.gz NUABAMNBIQBTHM-CHWSQXEVSA-N 1 1 336.392 1.756 20 5 EDBDMO CCCc1n[nH]c(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597715605 450217268 /nfs/dbraw/zinc/21/72/68/450217268.db2.gz NPOLGCJKYIYZBV-INIZCTEOSA-N 1 1 335.408 1.828 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597715605 450217272 /nfs/dbraw/zinc/21/72/72/450217272.db2.gz NPOLGCJKYIYZBV-INIZCTEOSA-N 1 1 335.408 1.828 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597715605 450217280 /nfs/dbraw/zinc/21/72/80/450217280.db2.gz NPOLGCJKYIYZBV-INIZCTEOSA-N 1 1 335.408 1.828 20 5 EDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000597716679 450217670 /nfs/dbraw/zinc/21/76/70/450217670.db2.gz RPIQOHLSLUZTFO-KRWDZBQOSA-N 1 1 333.388 1.918 20 5 EDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595505828 450192442 /nfs/dbraw/zinc/19/24/42/450192442.db2.gz ZCWSWESBCYZBMK-YJBOKZPZSA-N 1 1 349.431 1.752 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000603401174 450281448 /nfs/dbraw/zinc/28/14/48/450281448.db2.gz IKWLUIWVVVIJBE-GFCCVEGCSA-N 1 1 337.424 1.809 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)Cc1ccccc1 ZINC000595599519 450256355 /nfs/dbraw/zinc/25/63/55/450256355.db2.gz XKHLDGJBHWVWOP-INIZCTEOSA-N 1 1 331.372 1.292 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+]2CCCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000616135976 450331479 /nfs/dbraw/zinc/33/14/79/450331479.db2.gz FIWYAJGCBWAEBS-LBPRGKRZSA-N 1 1 338.360 1.757 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2CCCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000616135976 450331485 /nfs/dbraw/zinc/33/14/85/450331485.db2.gz FIWYAJGCBWAEBS-LBPRGKRZSA-N 1 1 338.360 1.757 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000619873336 450349337 /nfs/dbraw/zinc/34/93/37/450349337.db2.gz DWJFOYCPUIQHMC-HNNXBMFYSA-N 1 1 346.431 1.640 20 5 EDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619488490 450488172 /nfs/dbraw/zinc/48/81/72/450488172.db2.gz GEFRRWZRGYLIBB-UHFFFAOYSA-N 1 1 345.421 1.614 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452073509 486238210 /nfs/dbraw/zinc/23/82/10/486238210.db2.gz ZBDKRKOXHGMKRU-NEPJUHHUSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@@H](C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000183975922 533739497 /nfs/dbraw/zinc/73/94/97/533739497.db2.gz SBUKYCCOUDXSAQ-JQWIXIFHSA-N 1 1 325.394 1.344 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000184517152 534319622 /nfs/dbraw/zinc/31/96/22/534319622.db2.gz UGTRUQWYCWZGQZ-GFCCVEGCSA-N 1 1 334.376 1.218 20 5 EDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1CCO ZINC000188724940 524534819 /nfs/dbraw/zinc/53/48/19/524534819.db2.gz SKDHRWOEMLUCHF-LBPRGKRZSA-N 1 1 344.371 1.282 20 5 EDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1CCO ZINC000188724940 524534830 /nfs/dbraw/zinc/53/48/30/524534830.db2.gz SKDHRWOEMLUCHF-LBPRGKRZSA-N 1 1 344.371 1.282 20 5 EDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000353035784 536466716 /nfs/dbraw/zinc/46/67/16/536466716.db2.gz IETWGMBJGZYZJC-UHFFFAOYSA-N 1 1 337.376 1.057 20 5 EDBDMO CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174664871 528800981 /nfs/dbraw/zinc/80/09/81/528800981.db2.gz SLDSFRCLIMTABS-AWEZNQCLSA-N 1 1 348.359 1.403 20 5 EDBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347746474 536347303 /nfs/dbraw/zinc/34/73/03/536347303.db2.gz WGZGTWNBJVOHEY-UHFFFAOYSA-N 1 1 338.383 1.443 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C ZINC000741725597 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QTKOQTQGUPDQLS-GHMZBOCLSA-N 1 1 347.379 1.296 20 5 EDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736247408 578968034 /nfs/dbraw/zinc/96/80/34/578968034.db2.gz CQHASEPGATZZNU-PHIMTYICSA-N 1 1 346.395 1.845 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000747230530 579634543 /nfs/dbraw/zinc/63/45/43/579634543.db2.gz TYUIFIBWXLTCIC-OLZOCXBDSA-N 1 1 344.371 1.669 20 5 EDBDMO O=C(NCCO)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000751469102 579808801 /nfs/dbraw/zinc/80/88/01/579808801.db2.gz SPCZTFCEMKHNLD-UHFFFAOYSA-N 1 1 348.359 1.057 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000755135456 579920954 /nfs/dbraw/zinc/92/09/54/579920954.db2.gz CONONOYEMLPUPS-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778246124 580459902 /nfs/dbraw/zinc/45/99/02/580459902.db2.gz QCGKEIVOFXDZJX-SECBINFHSA-N 1 1 335.389 1.671 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000758332477 579980127 /nfs/dbraw/zinc/98/01/27/579980127.db2.gz CAKCSXOBXDMCPM-BXUZGUMPSA-N 1 1 347.371 1.385 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000768862237 580222869 /nfs/dbraw/zinc/22/28/69/580222869.db2.gz JKEBDMPKDXHSNY-ZYHUDNBSSA-N 1 1 345.446 1.761 20 5 EDBDMO COc1cc(OCC(=O)OCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000771937742 580298998 /nfs/dbraw/zinc/29/89/98/580298998.db2.gz NQYJEAWYEIKLOH-UHFFFAOYSA-N 1 1 335.316 1.731 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C)cc([N+](=O)[O-])c1F ZINC000780867034 580536006 /nfs/dbraw/zinc/53/60/06/580536006.db2.gz JGKBTYCAIYHYMY-LLVKDONJSA-N 1 1 345.396 1.805 20 5 EDBDMO CCNC(=O)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782482047 580575737 /nfs/dbraw/zinc/57/57/37/580575737.db2.gz KNNPKHHGAFBODR-UHFFFAOYSA-N 1 1 326.328 1.130 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000788604909 580725706 /nfs/dbraw/zinc/72/57/06/580725706.db2.gz NFCZYZBPRFAZGX-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000788604909 580725707 /nfs/dbraw/zinc/72/57/07/580725707.db2.gz NFCZYZBPRFAZGX-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CCOc3ccc(OC)cc3[N+](=O)[O-])C[C@@H]21 ZINC000794963905 580909026 /nfs/dbraw/zinc/90/90/26/580909026.db2.gz MVRPNNQBJWXQCC-JYAVWHMHSA-N 1 1 336.344 1.333 20 5 EDBDMO CC1(C)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000796559863 580956457 /nfs/dbraw/zinc/95/64/57/580956457.db2.gz DRGYBCPEIDFYEI-WBVHZDCISA-N 1 1 336.388 1.898 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000796579932 580957167 /nfs/dbraw/zinc/95/71/67/580957167.db2.gz KSIBNSQLYVCCJL-UHFFFAOYSA-N 1 1 348.403 1.832 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 ZINC000796607299 580957951 /nfs/dbraw/zinc/95/79/51/580957951.db2.gz 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591735810 /nfs/dbraw/zinc/73/58/10/591735810.db2.gz HTZVIQUQRHOCDL-UHFFFAOYSA-N 1 1 337.424 1.461 20 5 EDBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897219982 591774408 /nfs/dbraw/zinc/77/44/08/591774408.db2.gz QYDUSEOLNIGDCH-ZIAGYGMSSA-N 1 1 333.388 1.833 20 5 EDBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897221866 591776655 /nfs/dbraw/zinc/77/66/55/591776655.db2.gz PPUNBKKTXPHKJM-NWDGAFQWSA-N 1 1 326.784 1.679 20 5 EDBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000902639489 592034188 /nfs/dbraw/zinc/03/41/88/592034188.db2.gz VMMYSOJGBWNYCA-OWCLPIDISA-N 1 1 333.388 1.977 20 5 EDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000902639489 592034190 /nfs/dbraw/zinc/03/41/90/592034190.db2.gz VMMYSOJGBWNYCA-OWCLPIDISA-N 1 1 333.388 1.977 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000900810368 592132440 /nfs/dbraw/zinc/13/24/40/592132440.db2.gz 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CC[N@@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000734789839 592968863 /nfs/dbraw/zinc/96/88/63/592968863.db2.gz JYMFDKIWPBSCMZ-CYBMUJFWSA-N 1 1 336.392 1.111 20 5 EDBDMO CC[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000734789839 592968866 /nfs/dbraw/zinc/96/88/66/592968866.db2.gz JYMFDKIWPBSCMZ-CYBMUJFWSA-N 1 1 336.392 1.111 20 5 EDBDMO C[N@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000912033076 593050507 /nfs/dbraw/zinc/05/05/07/593050507.db2.gz NHPNXWJKLJPSSP-CABCVRRESA-N 1 1 335.404 1.817 20 5 EDBDMO CC(C)[N@H+](CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000840077453 593119318 /nfs/dbraw/zinc/11/93/18/593119318.db2.gz RVXXLWOYKWXRCJ-RHSMWYFYSA-N 1 1 349.387 1.989 20 5 EDBDMO CC(C)[N@@H+](CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000840077453 593119320 /nfs/dbraw/zinc/11/93/20/593119320.db2.gz RVXXLWOYKWXRCJ-RHSMWYFYSA-N 1 1 349.387 1.989 20 5 EDBDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805825908 593150229 /nfs/dbraw/zinc/15/02/29/593150229.db2.gz KELLZJJEZYEKIU-LSDHHAIUSA-N 1 1 337.376 1.839 20 5 EDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000840023041 593383878 /nfs/dbraw/zinc/38/38/78/593383878.db2.gz KMRQMWRACYKLST-IRXDYDNUSA-N 1 1 347.371 1.602 20 5 EDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000840023041 593383882 /nfs/dbraw/zinc/38/38/82/593383882.db2.gz KMRQMWRACYKLST-IRXDYDNUSA-N 1 1 347.371 1.602 20 5 EDBDMO C[NH+]1CCN(C(=O)CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000840256590 593502833 /nfs/dbraw/zinc/50/28/33/593502833.db2.gz SBFDOWOKXBVLBI-UHFFFAOYSA-N 1 1 347.297 1.195 20 5 EDBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850743 593510773 /nfs/dbraw/zinc/51/07/73/593510773.db2.gz OKCRIHKJDGAHFK-XOKHGSTOSA-N 1 1 348.403 1.596 20 5 EDBDMO Cc1cc(F)cc(C(=O)NCCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000813853118 593558414 /nfs/dbraw/zinc/55/84/14/593558414.db2.gz AZGOIXYTCBJQLD-UHFFFAOYSA-N 1 1 340.399 1.656 20 5 EDBDMO Cc1cc(F)cc(C(=O)NCCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000813853118 593558416 /nfs/dbraw/zinc/55/84/16/593558416.db2.gz AZGOIXYTCBJQLD-UHFFFAOYSA-N 1 1 340.399 1.656 20 5 EDBDMO CC(C)(C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000814109975 593573663 /nfs/dbraw/zinc/57/36/63/593573663.db2.gz ZUEWNTNVJRJLCI-KGLIPLIRSA-N 1 1 347.415 1.852 20 5 EDBDMO Nc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000818005648 593656028 /nfs/dbraw/zinc/65/60/28/593656028.db2.gz ROWHMTDJGWSHOQ-HNNXBMFYSA-N 1 1 327.344 1.359 20 5 EDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000818977663 593731717 /nfs/dbraw/zinc/73/17/17/593731717.db2.gz IXAHWHMSCUKLEM-NSHDSACASA-N 1 1 338.383 1.966 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000818977663 593731718 /nfs/dbraw/zinc/73/17/18/593731718.db2.gz IXAHWHMSCUKLEM-NSHDSACASA-N 1 1 338.383 1.966 20 5 EDBDMO C[C@H]1C[C@H](N(C)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000820658297 593856039 /nfs/dbraw/zinc/85/60/39/593856039.db2.gz RGTWOXGXNVKCAM-CMPLNLGQSA-N 1 1 331.380 1.694 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC[C@H]21 ZINC000821624969 593886286 /nfs/dbraw/zinc/88/62/86/593886286.db2.gz BLWNUXMRVXPZKM-ZWNOBZJWSA-N 1 1 344.379 1.090 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CN(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821266678 594002080 /nfs/dbraw/zinc/00/20/80/594002080.db2.gz GDIPBXKMJMNMPS-LBPRGKRZSA-N 1 1 331.380 1.695 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000822933534 594124567 /nfs/dbraw/zinc/12/45/67/594124567.db2.gz JTEKQTQIZYDVRH-KGLIPLIRSA-N 1 1 333.388 1.493 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000823373517 594193822 /nfs/dbraw/zinc/19/38/22/594193822.db2.gz BVXVYQWSGSYGPL-BETUJISGSA-N 1 1 335.404 1.739 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000823373517 594193823 /nfs/dbraw/zinc/19/38/23/594193823.db2.gz BVXVYQWSGSYGPL-BETUJISGSA-N 1 1 335.404 1.739 20 5 EDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825505592 594193974 /nfs/dbraw/zinc/19/39/74/594193974.db2.gz NELXPWFYULVWPP-BBRMVZONSA-N 1 1 335.404 1.865 20 5 EDBDMO NC(=O)C[NH+]1CCC(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000825551267 594199706 /nfs/dbraw/zinc/19/97/06/594199706.db2.gz GXYZKPMPLNHKDL-UHFFFAOYSA-N 1 1 333.392 1.230 20 5 EDBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000828097523 594340353 /nfs/dbraw/zinc/34/03/53/594340353.db2.gz CYVGFSAOTKXVET-WBVHZDCISA-N 1 1 335.404 1.791 20 5 EDBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831158895 594571903 /nfs/dbraw/zinc/57/19/03/594571903.db2.gz NHLWZXFONMCGPY-HZPDHXFCSA-N 1 1 333.388 1.761 20 5 EDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000831285332 594599887 /nfs/dbraw/zinc/59/98/87/594599887.db2.gz KRGVZOZHSDHIEK-UHFFFAOYSA-N 1 1 341.795 1.777 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000827335826 594662180 /nfs/dbraw/zinc/66/21/80/594662180.db2.gz ACMBGSAUZGBMDC-ZFWWWQNUSA-N 1 1 343.387 1.497 20 5 EDBDMO C/C(=C/C(=O)N1CC[N@@H+](CCO)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000837192124 595055264 /nfs/dbraw/zinc/05/52/64/595055264.db2.gz SCZDWVJNBJFBPV-YBEMTRGBSA-N 1 1 333.388 1.523 20 5 EDBDMO C/C(=C/C(=O)N1CC[N@H+](CCO)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000837192124 595055271 /nfs/dbraw/zinc/05/52/71/595055271.db2.gz SCZDWVJNBJFBPV-YBEMTRGBSA-N 1 1 333.388 1.523 20 5 EDBDMO O=C(O[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842332597 595078700 /nfs/dbraw/zinc/07/87/00/595078700.db2.gz XYAFIOGRFLPCCS-GVDBMIGSSA-N 1 1 330.384 1.958 20 5 EDBDMO O=C(O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842332597 595078705 /nfs/dbraw/zinc/07/87/05/595078705.db2.gz XYAFIOGRFLPCCS-GVDBMIGSSA-N 1 1 330.384 1.958 20 5 EDBDMO O=C(O[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842332597 595078710 /nfs/dbraw/zinc/07/87/10/595078710.db2.gz XYAFIOGRFLPCCS-GVDBMIGSSA-N 1 1 330.384 1.958 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000848591480 595411918 /nfs/dbraw/zinc/41/19/18/595411918.db2.gz MZMLRPPKSOGEOI-MFKMUULPSA-N 1 1 341.314 1.729 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000849420380 595524201 /nfs/dbraw/zinc/52/42/01/595524201.db2.gz TYFHZNXCTPRHDT-SECBINFHSA-N 1 1 333.435 1.807 20 5 EDBDMO O=C1C[C@@]2(CC[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccccn4)n3)C2)CN1 ZINC000853512110 595777520 /nfs/dbraw/zinc/77/75/20/595777520.db2.gz YPUXUQXOOHFMBL-INIZCTEOSA-N 1 1 342.359 1.023 20 5 EDBDMO O=C1C[C@@]2(CC[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccccn4)n3)C2)CN1 ZINC000853512110 595777523 /nfs/dbraw/zinc/77/75/23/595777523.db2.gz YPUXUQXOOHFMBL-INIZCTEOSA-N 1 1 342.359 1.023 20 5 EDBDMO O=C1CC[C@H]2C[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]2N1 ZINC000853554849 595799303 /nfs/dbraw/zinc/79/93/03/595799303.db2.gz DQVDIKRHHOFOGP-FZMZJTMJSA-N 1 1 329.360 1.503 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000853560177 595804530 /nfs/dbraw/zinc/80/45/30/595804530.db2.gz WFIFORCWFFOWDY-DOMZBBRYSA-N 1 1 343.387 1.811 20 5 EDBDMO C[C@]12COC[C@@H]1C[N@@H+](Cn1cnc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000853567171 595807265 /nfs/dbraw/zinc/80/72/65/595807265.db2.gz ULVJAVACMUFIGV-BBRMVZONSA-N 1 1 329.360 1.779 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCC[N@H+]2CCOC)n1 ZINC000861036947 595873682 /nfs/dbraw/zinc/87/36/82/595873682.db2.gz UKOWJORKUPNQOL-NSHDSACASA-N 1 1 326.353 1.079 20 5 EDBDMO C[N@H+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000854336804 596040468 /nfs/dbraw/zinc/04/04/68/596040468.db2.gz OOCSXLMRTDCZRX-UHFFFAOYSA-N 1 1 338.383 1.490 20 5 EDBDMO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC12COC2 ZINC000852096558 596041890 /nfs/dbraw/zinc/04/18/90/596041890.db2.gz LVBLEUJCPCOABT-ZDUSSCGKSA-N 1 1 338.335 1.745 20 5 EDBDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC12COC2 ZINC000852096558 596041892 /nfs/dbraw/zinc/04/18/92/596041892.db2.gz LVBLEUJCPCOABT-ZDUSSCGKSA-N 1 1 338.335 1.745 20 5 EDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854730645 596178850 /nfs/dbraw/zinc/17/88/50/596178850.db2.gz PJYBOKPFTIJGDJ-JZLODUJNSA-N 1 1 345.399 1.931 20 5 EDBDMO C[C@]([NH3+])(C(=O)N1CC[C@@H]2CSC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000870980251 596427462 /nfs/dbraw/zinc/42/74/62/596427462.db2.gz NBCKHYOYSHRNSA-XHBSWPGZSA-N 1 1 335.429 1.980 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865170646 596498611 /nfs/dbraw/zinc/49/86/11/596498611.db2.gz GUGFTQYGJLXKPL-ZDUSSCGKSA-N 1 1 339.367 1.503 20 5 EDBDMO C[N@@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322823 596550700 /nfs/dbraw/zinc/55/07/00/596550700.db2.gz QXGQHQZZEKJMNQ-BJHJDKERSA-N 1 1 330.348 1.007 20 5 EDBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@@H]1C ZINC000120790553 596706638 /nfs/dbraw/zinc/70/66/38/596706638.db2.gz JETWNEDLVZSLPY-TXEJJXNPSA-N 1 1 336.392 1.479 20 5 EDBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@@H]1C ZINC000120790553 596706646 /nfs/dbraw/zinc/70/66/46/596706646.db2.gz JETWNEDLVZSLPY-TXEJJXNPSA-N 1 1 336.392 1.479 20 5 EDBDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000870123597 596760760 /nfs/dbraw/zinc/76/07/60/596760760.db2.gz QVPDHTNZLKVRFB-LBPRGKRZSA-N 1 1 329.360 1.837 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000868448261 596841478 /nfs/dbraw/zinc/84/14/78/596841478.db2.gz HHWXXNYOAWEOSZ-GOEBONIOSA-N 1 1 332.404 1.873 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]21 ZINC000872726971 597048388 /nfs/dbraw/zinc/04/83/88/597048388.db2.gz XOWRYMUVWVBLLH-GDBMZVCRSA-N 1 1 342.403 1.837 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000872779059 597063597 /nfs/dbraw/zinc/06/35/97/597063597.db2.gz DKHNFKVXKNJJNB-ZIAGYGMSSA-N 1 1 329.360 1.917 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000874843563 597195789 /nfs/dbraw/zinc/19/57/89/597195789.db2.gz PWLNSYRKIFTWPJ-KGLIPLIRSA-N 1 1 329.360 1.780 20 5 EDBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000874843563 597195791 /nfs/dbraw/zinc/19/57/91/597195791.db2.gz PWLNSYRKIFTWPJ-KGLIPLIRSA-N 1 1 329.360 1.780 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000874843563 597195793 /nfs/dbraw/zinc/19/57/93/597195793.db2.gz PWLNSYRKIFTWPJ-KGLIPLIRSA-N 1 1 329.360 1.780 20 5 EDBDMO COC(=O)[C@@H]1CN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC[N@@H+](C)C1 ZINC000877587102 597539395 /nfs/dbraw/zinc/53/93/95/597539395.db2.gz DVYSFIQUROEHIS-AWEZNQCLSA-N 1 1 335.404 1.748 20 5 EDBDMO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877587102 597539396 /nfs/dbraw/zinc/53/93/96/597539396.db2.gz DVYSFIQUROEHIS-AWEZNQCLSA-N 1 1 335.404 1.748 20 5 EDBDMO COC(=O)[C@H]1CN(C)CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877587102 597539397 /nfs/dbraw/zinc/53/93/97/597539397.db2.gz DVYSFIQUROEHIS-AWEZNQCLSA-N 1 1 335.404 1.748 20 5 EDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877720933 597551025 /nfs/dbraw/zinc/55/10/25/597551025.db2.gz XGHKOBWLQPNLTQ-BKHYPVAUSA-N 1 1 329.356 1.545 20 5 EDBDMO Cc1cncc([C@@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000879750794 597710740 /nfs/dbraw/zinc/71/07/40/597710740.db2.gz WDTGKRALGZVUPA-CVEARBPZSA-N 1 1 331.376 1.693 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880135670 597852699 /nfs/dbraw/zinc/85/26/99/597852699.db2.gz YQUFSWKKITWPOD-IRXDYDNUSA-N 1 1 344.415 1.652 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1cnccn1 ZINC001031523131 697208126 /nfs/dbraw/zinc/20/81/26/697208126.db2.gz QKYBMHBHJXWCPT-UHFFFAOYSA-N 1 1 327.344 1.247 20 5 EDBDMO Cc1cnc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC001031525633 697210766 /nfs/dbraw/zinc/21/07/66/697210766.db2.gz SCBSFKWKVXXLAN-UHFFFAOYSA-N 1 1 341.371 1.555 20 5 EDBDMO CCn1nccc1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001031632627 697375255 /nfs/dbraw/zinc/37/52/55/697375255.db2.gz DRAGBSNIIXSWHA-UHFFFAOYSA-N 1 1 343.387 1.673 20 5 EDBDMO Cc1ccc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC001031659028 697430083 /nfs/dbraw/zinc/43/00/83/697430083.db2.gz ITGGPQFYLCPHEN-UHFFFAOYSA-N 1 1 341.371 1.555 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccnc(Cl)c2)CC1 ZINC000996429885 702783858 /nfs/dbraw/zinc/78/38/58/702783858.db2.gz WPSSGDCRFURXDJ-CHWSQXEVSA-N 1 1 338.795 1.481 20 5 EDBDMO Cc1nc(C)c(C[N@@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001000673673 708060809 /nfs/dbraw/zinc/06/08/09/708060809.db2.gz IUMNRMGRFGQQID-ZIAGYGMSSA-N 1 1 334.376 1.205 20 5 EDBDMO C[N@H+]1CC[C@@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000921838301 708149098 /nfs/dbraw/zinc/14/90/98/708149098.db2.gz UADYAUIZIVLSEP-GFCCVEGCSA-N 1 1 326.784 1.794 20 5 EDBDMO O=C(NC1CC[NH+](CCc2ccccc2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789967 709384543 /nfs/dbraw/zinc/38/45/43/709384543.db2.gz ZBPFDRBOYCXHGW-GDBMZVCRSA-N 1 1 335.379 1.614 20 5 EDBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000053303830 214176851 /nfs/dbraw/zinc/17/68/51/214176851.db2.gz RSWCMGVCLUPFHW-BETUJISGSA-N 1 1 337.424 1.664 20 5 EDBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3c[nH]nc3[N+](=O)[O-])sc2C1 ZINC000558750031 306246409 /nfs/dbraw/zinc/24/64/09/306246409.db2.gz VWAHJBITITZBRM-UHFFFAOYSA-N 1 1 336.377 1.793 20 5 EDBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3c[nH]nc3[N+](=O)[O-])sc2C1 ZINC000558750031 306246410 /nfs/dbraw/zinc/24/64/10/306246410.db2.gz VWAHJBITITZBRM-UHFFFAOYSA-N 1 1 336.377 1.793 20 5 EDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153130229 529791416 /nfs/dbraw/zinc/79/14/16/529791416.db2.gz WUCNRPDSEWUEMM-HOTGVXAUSA-N 1 1 346.387 1.006 20 5 EDBDMO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000065978378 215002331 /nfs/dbraw/zinc/00/23/31/215002331.db2.gz LVHHJORSHSVEIU-UHFFFAOYSA-N 1 1 339.373 1.564 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)s1 ZINC000066105777 215012814 /nfs/dbraw/zinc/01/28/14/215012814.db2.gz DFBRMMSNANOSHR-JTQLQIEISA-N 1 1 331.419 1.515 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)CC)cc1OC ZINC000066958913 215099050 /nfs/dbraw/zinc/09/90/50/215099050.db2.gz FAKCZQHLMCTFMN-UHFFFAOYSA-N 1 1 325.365 1.684 20 5 EDBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000104076230 219346184 /nfs/dbraw/zinc/34/61/84/219346184.db2.gz LDHDSMAXWRCJPD-ZYHUDNBSSA-N 1 1 345.359 1.731 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000069006806 215352106 /nfs/dbraw/zinc/35/21/06/215352106.db2.gz JZLSTKPYPPUFKF-LBPRGKRZSA-N 1 1 339.367 1.961 20 5 EDBDMO CCCC[N@@H+](CCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271724689 535254551 /nfs/dbraw/zinc/25/45/51/535254551.db2.gz LRJHQOFJASIVGR-OAHLLOKOSA-N 1 1 326.393 1.819 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000038718943 213221887 /nfs/dbraw/zinc/22/18/87/213221887.db2.gz XSCDDMBNWTZZNF-UHFFFAOYSA-N 1 1 331.332 1.163 20 5 EDBDMO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(C)cc1[N+](=O)[O-] ZINC000563445574 306333487 /nfs/dbraw/zinc/33/34/87/306333487.db2.gz HRIPTDYWCOHRHO-BETUJISGSA-N 1 1 339.417 1.727 20 5 EDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080920264 138265072 /nfs/dbraw/zinc/26/50/72/138265072.db2.gz JAFUWRMGRBOPEM-LXXRFIIISA-N 1 1 345.399 1.931 20 5 EDBDMO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cn(-c2ccccc2)nn1 ZINC000130993689 138351044 /nfs/dbraw/zinc/35/10/44/138351044.db2.gz GLJVJGFVVFORPW-GFCCVEGCSA-N 1 1 327.348 1.723 20 5 EDBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000131995642 138369649 /nfs/dbraw/zinc/36/96/49/138369649.db2.gz VMRABNTYDDCRLX-KGLIPLIRSA-N 1 1 348.403 1.376 20 5 EDBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000131995642 138369650 /nfs/dbraw/zinc/36/96/50/138369650.db2.gz VMRABNTYDDCRLX-KGLIPLIRSA-N 1 1 348.403 1.376 20 5 EDBDMO COCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000189722933 237185300 /nfs/dbraw/zinc/18/53/00/237185300.db2.gz USUGRNREKODUJE-WFASDCNBSA-N 1 1 337.376 1.659 20 5 EDBDMO COCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000189722933 237185309 /nfs/dbraw/zinc/18/53/09/237185309.db2.gz USUGRNREKODUJE-WFASDCNBSA-N 1 1 337.376 1.659 20 5 EDBDMO COc1ccc(NC(=O)CCN2CC[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000565157902 306376431 /nfs/dbraw/zinc/37/64/31/306376431.db2.gz QTTRWKRCOBPXPY-NEPJUHHUSA-N 1 1 336.392 1.744 20 5 EDBDMO O=C(NCC[N@H+]1CCCOCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000565523337 306385632 /nfs/dbraw/zinc/38/56/32/306385632.db2.gz VVJXIFPEWCJONQ-UHFFFAOYSA-N 1 1 348.403 1.385 20 5 EDBDMO COC(=O)[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000414483932 304118562 /nfs/dbraw/zinc/11/85/62/304118562.db2.gz GCSUUOQNLQJWNP-KEDPEKRHSA-N 1 1 333.388 1.645 20 5 EDBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000111221278 220114364 /nfs/dbraw/zinc/11/43/64/220114364.db2.gz DGIIXHPPDFFAMU-DGCLKSJQSA-N 1 1 346.387 1.070 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245410008 139072653 /nfs/dbraw/zinc/07/26/53/139072653.db2.gz OXDZILLOFRULHR-RYUDHWBXSA-N 1 1 334.376 1.509 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245410008 139072654 /nfs/dbraw/zinc/07/26/54/139072654.db2.gz OXDZILLOFRULHR-RYUDHWBXSA-N 1 1 334.376 1.509 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000245837098 139086901 /nfs/dbraw/zinc/08/69/01/139086901.db2.gz WMELCHKAOIEZGE-OLZOCXBDSA-N 1 1 348.403 1.818 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000246099294 139094811 /nfs/dbraw/zinc/09/48/11/139094811.db2.gz ASHMCYWVGJUVAB-QLFBSQMISA-N 1 1 337.424 1.365 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000246099294 139094812 /nfs/dbraw/zinc/09/48/12/139094812.db2.gz ASHMCYWVGJUVAB-QLFBSQMISA-N 1 1 337.424 1.365 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1C[C@H](C)O ZINC000246549971 139112513 /nfs/dbraw/zinc/11/25/13/139112513.db2.gz YSNQABQSPJFLNV-NWDGAFQWSA-N 1 1 336.392 1.094 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000153533132 224118760 /nfs/dbraw/zinc/11/87/60/224118760.db2.gz XOSRQBQDYKUJSH-GFCCVEGCSA-N 1 1 336.348 1.978 20 5 EDBDMO COC(=O)/C=C/c1ccc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000154853760 533125264 /nfs/dbraw/zinc/12/52/64/533125264.db2.gz KXMRJUMNTPYQJY-LEOCGOGGSA-N 1 1 349.387 1.912 20 5 EDBDMO COC(=O)/C=C/c1ccc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000154853760 533125268 /nfs/dbraw/zinc/12/52/68/533125268.db2.gz KXMRJUMNTPYQJY-LEOCGOGGSA-N 1 1 349.387 1.912 20 5 EDBDMO Cc1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000153724011 224147776 /nfs/dbraw/zinc/14/77/76/224147776.db2.gz AQOITTMDEVXYMJ-CHWSQXEVSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000153724011 224147780 /nfs/dbraw/zinc/14/77/80/224147780.db2.gz AQOITTMDEVXYMJ-CHWSQXEVSA-N 1 1 336.392 1.822 20 5 EDBDMO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1CCO ZINC000490072890 255077510 /nfs/dbraw/zinc/07/75/10/255077510.db2.gz OKSZGGWXSCAVEN-NSHDSACASA-N 1 1 333.348 1.148 20 5 EDBDMO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@H+]1CCO ZINC000490072890 255077512 /nfs/dbraw/zinc/07/75/12/255077512.db2.gz OKSZGGWXSCAVEN-NSHDSACASA-N 1 1 333.348 1.148 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1F ZINC000154293500 224232693 /nfs/dbraw/zinc/23/26/93/224232693.db2.gz IGKIWTNPGOXPBN-UHFFFAOYSA-N 1 1 345.396 1.807 20 5 EDBDMO CC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000495231272 255274378 /nfs/dbraw/zinc/27/43/78/255274378.db2.gz UOOORUNUNICVSJ-BZNIZROVSA-N 1 1 337.376 1.777 20 5 EDBDMO CC[C@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000495231272 255274379 /nfs/dbraw/zinc/27/43/79/255274379.db2.gz UOOORUNUNICVSJ-BZNIZROVSA-N 1 1 337.376 1.777 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118118303 221123246 /nfs/dbraw/zinc/12/32/46/221123246.db2.gz YSELOZHXVLTMGE-LBPRGKRZSA-N 1 1 336.392 1.688 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000270329334 140080178 /nfs/dbraw/zinc/08/01/78/140080178.db2.gz HOMOADCSJGJQNJ-CQSZACIVSA-N 1 1 336.392 1.157 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000331514453 141041157 /nfs/dbraw/zinc/04/11/57/141041157.db2.gz MSEQMAAYGIAHQH-LBPRGKRZSA-N 1 1 336.392 1.529 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)cccc1[N+](=O)[O-] ZINC000331884204 141093713 /nfs/dbraw/zinc/09/37/13/141093713.db2.gz FLTJVYGYTHVXID-CVEARBPZSA-N 1 1 348.403 1.247 20 5 EDBDMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416374558 304312778 /nfs/dbraw/zinc/31/27/78/304312778.db2.gz UBCMAOXXPCTMNF-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416374558 304312780 /nfs/dbraw/zinc/31/27/80/304312780.db2.gz UBCMAOXXPCTMNF-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332241962 141145754 /nfs/dbraw/zinc/14/57/54/141145754.db2.gz JJNVQLAZICIUGS-QWHCGFSZSA-N 1 1 332.404 1.508 20 5 EDBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332368284 141169957 /nfs/dbraw/zinc/16/99/57/141169957.db2.gz XYWIYNCXKCDRLW-WWGRRREGSA-N 1 1 347.415 1.965 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@@H]4COC[C@H](C3)O4)o2)c1 ZINC000338368371 141794906 /nfs/dbraw/zinc/79/49/06/141794906.db2.gz QLIIYMIGYJJPAQ-GASCZTMLSA-N 1 1 345.355 1.892 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H]4COC[C@H](C3)O4)o2)c1 ZINC000338368371 141794907 /nfs/dbraw/zinc/79/49/07/141794907.db2.gz QLIIYMIGYJJPAQ-GASCZTMLSA-N 1 1 345.355 1.892 20 5 EDBDMO CCOc1ccc(C(=O)NCC[N@@H+](C)CCOC)cc1[N+](=O)[O-] ZINC000339299825 142007335 /nfs/dbraw/zinc/00/73/35/142007335.db2.gz ZJSIHOXYMFXLFS-UHFFFAOYSA-N 1 1 325.365 1.302 20 5 EDBDMO CCOC(=O)C(C)(C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000339784554 142155436 /nfs/dbraw/zinc/15/54/36/142155436.db2.gz FJWDGNWTAJWOGW-LBPRGKRZSA-N 1 1 340.376 1.608 20 5 EDBDMO CCOC(=O)C(C)(C)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000339784554 142155437 /nfs/dbraw/zinc/15/54/37/142155437.db2.gz FJWDGNWTAJWOGW-LBPRGKRZSA-N 1 1 340.376 1.608 20 5 EDBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000340175619 142292313 /nfs/dbraw/zinc/29/23/13/142292313.db2.gz DUWDBNMYPVFYAD-LLVKDONJSA-N 1 1 338.389 1.714 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416455998 304321152 /nfs/dbraw/zinc/32/11/52/304321152.db2.gz LCUPXKSQPXAOGV-QWHCGFSZSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416455998 304321155 /nfs/dbraw/zinc/32/11/55/304321155.db2.gz LCUPXKSQPXAOGV-QWHCGFSZSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000345535017 143102952 /nfs/dbraw/zinc/10/29/52/143102952.db2.gz GSDYFNIMXQSJHI-UHFFFAOYSA-N 1 1 343.387 1.444 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000347222840 143296939 /nfs/dbraw/zinc/29/69/39/143296939.db2.gz UIDHJYLOAGTNJC-SDDRHHMPSA-N 1 1 335.360 1.805 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000347222840 143296940 /nfs/dbraw/zinc/29/69/40/143296940.db2.gz UIDHJYLOAGTNJC-SDDRHHMPSA-N 1 1 335.360 1.805 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000347317264 143307608 /nfs/dbraw/zinc/30/76/08/143307608.db2.gz JDVGFUGBJQRCMN-YGRLFVJLSA-N 1 1 334.336 1.304 20 5 EDBDMO C[C@](CO)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000347717672 143353873 /nfs/dbraw/zinc/35/38/73/143353873.db2.gz JIAYZIOCFRTBRX-QGZVFWFLSA-N 1 1 345.355 1.736 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000360746776 292184805 /nfs/dbraw/zinc/18/48/05/292184805.db2.gz QCZKHWANJMMDLM-STQMWFEESA-N 1 1 341.433 1.910 20 5 EDBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000353122200 149296274 /nfs/dbraw/zinc/29/62/74/149296274.db2.gz FWNHGRREGWPNCD-UHFFFAOYSA-N 1 1 331.332 1.513 20 5 EDBDMO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000355368351 150237797 /nfs/dbraw/zinc/23/77/97/150237797.db2.gz LGYACWGLHYGZQZ-GJZGRUSLSA-N 1 1 335.360 1.236 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000355368351 150237799 /nfs/dbraw/zinc/23/77/99/150237799.db2.gz LGYACWGLHYGZQZ-GJZGRUSLSA-N 1 1 335.360 1.236 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC)[C@H]2C1 ZINC000355379356 150243286 /nfs/dbraw/zinc/24/32/86/150243286.db2.gz IHMHEZHPZYCHBT-HOCLYGCPSA-N 1 1 349.387 1.539 20 5 EDBDMO COc1cc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000270285095 286200340 /nfs/dbraw/zinc/20/03/40/286200340.db2.gz VZQHADJUIFZCHV-QWRGUYRKSA-N 1 1 337.376 1.777 20 5 EDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357504791 151050406 /nfs/dbraw/zinc/05/04/06/151050406.db2.gz QJOPZAHKWKXHCS-LBPRGKRZSA-N 1 1 333.392 1.257 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](CCO)C1 ZINC000357824421 151162964 /nfs/dbraw/zinc/16/29/64/151162964.db2.gz CKPNGFOFQCKWOA-GFCCVEGCSA-N 1 1 335.360 1.597 20 5 EDBDMO C[C@H](CCNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000357915403 151194115 /nfs/dbraw/zinc/19/41/15/151194115.db2.gz UKVUXDJHPXEFHI-CYBMUJFWSA-N 1 1 345.403 1.969 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC000357974051 151217783 /nfs/dbraw/zinc/21/77/83/151217783.db2.gz LSCZVPQXMVIIDP-GXTWGEPZSA-N 1 1 348.403 1.982 20 5 EDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000358064164 151254806 /nfs/dbraw/zinc/25/48/06/151254806.db2.gz KZSXMAWVGKVYSC-LLVKDONJSA-N 1 1 325.340 1.575 20 5 EDBDMO COc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000358225160 151311727 /nfs/dbraw/zinc/31/17/27/151311727.db2.gz QAVXWIMDZLJYEU-XQQFMLRXSA-N 1 1 340.376 1.452 20 5 EDBDMO COc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000358225160 151311729 /nfs/dbraw/zinc/31/17/29/151311729.db2.gz QAVXWIMDZLJYEU-XQQFMLRXSA-N 1 1 340.376 1.452 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000360651717 152139000 /nfs/dbraw/zinc/13/90/00/152139000.db2.gz IMKFIEOZSBHDDR-NEPJUHHUSA-N 1 1 327.406 1.664 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000360958723 152264485 /nfs/dbraw/zinc/26/44/85/152264485.db2.gz DGGSUCUFOHCNMP-CYBMUJFWSA-N 1 1 338.456 1.805 20 5 EDBDMO O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000361102624 152305380 /nfs/dbraw/zinc/30/53/80/152305380.db2.gz ABQSJCQBVLINDO-BXUZGUMPSA-N 1 1 329.360 1.589 20 5 EDBDMO C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(F)cc1 ZINC000361187886 152328851 /nfs/dbraw/zinc/32/88/51/152328851.db2.gz BLNVHRQAPOOSMD-CJNGLKHVSA-N 1 1 347.350 1.492 20 5 EDBDMO C[N@H+]1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(F)cc1 ZINC000361187886 152328853 /nfs/dbraw/zinc/32/88/53/152328853.db2.gz BLNVHRQAPOOSMD-CJNGLKHVSA-N 1 1 347.350 1.492 20 5 EDBDMO COCCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000363635443 153019017 /nfs/dbraw/zinc/01/90/17/153019017.db2.gz WUHRLLTXZCVOSR-UHFFFAOYSA-N 1 1 339.367 1.918 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCCCNC1=O ZINC000364114506 153148227 /nfs/dbraw/zinc/14/82/27/153148227.db2.gz LOSSBBGEWZUCDM-OAHLLOKOSA-N 1 1 348.403 1.832 20 5 EDBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000364599757 153283382 /nfs/dbraw/zinc/28/33/82/153283382.db2.gz ANHINSBLKVZXPS-CMDGGOBGSA-N 1 1 347.415 1.913 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000364675005 153300765 /nfs/dbraw/zinc/30/07/65/153300765.db2.gz RBMBJHVLGIORFP-DRPJVOAASA-N 1 1 349.435 1.317 20 5 EDBDMO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000364675005 153300768 /nfs/dbraw/zinc/30/07/68/153300768.db2.gz RBMBJHVLGIORFP-DRPJVOAASA-N 1 1 349.435 1.317 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000364675005 153300770 /nfs/dbraw/zinc/30/07/70/153300770.db2.gz RBMBJHVLGIORFP-DRPJVOAASA-N 1 1 349.435 1.317 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](CN3CC[NH+](C)CC3)C2)n1 ZINC000366223261 292286484 /nfs/dbraw/zinc/28/64/84/292286484.db2.gz RRGTWOWGKZAWDD-OAHLLOKOSA-N 1 1 333.436 1.762 20 5 EDBDMO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2C[N@@H+](C3CC3)CCO2)s1 ZINC000367427218 154117882 /nfs/dbraw/zinc/11/78/82/154117882.db2.gz XFHNIRQWCIOSLL-JTQLQIEISA-N 1 1 335.389 1.875 20 5 EDBDMO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2C[N@H+](C3CC3)CCO2)s1 ZINC000367427218 154117883 /nfs/dbraw/zinc/11/78/83/154117883.db2.gz XFHNIRQWCIOSLL-JTQLQIEISA-N 1 1 335.389 1.875 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1 ZINC000367557724 154175237 /nfs/dbraw/zinc/17/52/37/154175237.db2.gz SSUWJUWOAKVVBG-AWEZNQCLSA-N 1 1 343.387 1.675 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000367827799 154288095 /nfs/dbraw/zinc/28/80/95/154288095.db2.gz YJZMCRVCBKRSRZ-JTQLQIEISA-N 1 1 337.405 1.492 20 5 EDBDMO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000368664061 154662860 /nfs/dbraw/zinc/66/28/60/154662860.db2.gz UAAWQZOQJODAHG-HOCLYGCPSA-N 1 1 333.388 1.574 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000371986813 156197032 /nfs/dbraw/zinc/19/70/32/156197032.db2.gz KLLUMCFFOQIVLE-SJORKVTESA-N 1 1 347.415 1.897 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374520880 157316316 /nfs/dbraw/zinc/31/63/16/157316316.db2.gz OGQKLZVNLPBFAK-KRWDZBQOSA-N 1 1 330.388 1.854 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374520880 157316321 /nfs/dbraw/zinc/31/63/21/157316321.db2.gz OGQKLZVNLPBFAK-KRWDZBQOSA-N 1 1 330.388 1.854 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360928055 162299562 /nfs/dbraw/zinc/29/95/62/162299562.db2.gz QOLDHEBVWHIPQY-ZLKJLUDKSA-N 1 1 332.360 1.252 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+](C)CCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000112703659 287341395 /nfs/dbraw/zinc/34/13/95/287341395.db2.gz SUKQOUNUNDVWAF-UHFFFAOYSA-N 1 1 348.403 1.786 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+](C)CCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000124208559 222391193 /nfs/dbraw/zinc/39/11/93/222391193.db2.gz GJHXWMNHZCABLU-UHFFFAOYSA-N 1 1 347.375 1.761 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000275129750 268285519 /nfs/dbraw/zinc/28/55/19/268285519.db2.gz LRJNYGKXCNITNQ-ZDUSSCGKSA-N 1 1 335.404 1.397 20 5 EDBDMO COCCO[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000275553547 268359648 /nfs/dbraw/zinc/35/96/48/268359648.db2.gz NBQPUSTUXITXGD-GDBMZVCRSA-N 1 1 340.376 1.072 20 5 EDBDMO Cc1noc([C@]2(O)CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000277258265 273183927 /nfs/dbraw/zinc/18/39/27/273183927.db2.gz AHBCQYHGDCIUJT-HNNXBMFYSA-N 1 1 334.332 1.259 20 5 EDBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000278016704 273240970 /nfs/dbraw/zinc/24/09/70/273240970.db2.gz ADUCATSZFAOLFW-NVXWUHKLSA-N 1 1 338.404 1.483 20 5 EDBDMO C[C@H]1OCC[C@]12C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279722074 273319499 /nfs/dbraw/zinc/31/94/99/273319499.db2.gz IYXBDLNGQZLOEY-OMNBBPDLSA-N 1 1 336.388 1.897 20 5 EDBDMO C[C@H]1OCC[C@]12C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279722074 273319500 /nfs/dbraw/zinc/31/95/00/273319500.db2.gz IYXBDLNGQZLOEY-OMNBBPDLSA-N 1 1 336.388 1.897 20 5 EDBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279761100 273324462 /nfs/dbraw/zinc/32/44/62/273324462.db2.gz MEUVLQPUYLSRGQ-LZWOXQAQSA-N 1 1 338.404 1.960 20 5 EDBDMO C[C@H]1OCC[C@@]12C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCO2 ZINC000280324012 273356955 /nfs/dbraw/zinc/35/69/55/273356955.db2.gz GXGIKAUCEDUFPX-CXAGYDPISA-N 1 1 349.387 1.803 20 5 EDBDMO CC(=O)c1ccc(N2CC[NH+](CCC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000268390588 273496410 /nfs/dbraw/zinc/49/64/10/273496410.db2.gz MEEFHJAIKKFNQG-UHFFFAOYSA-N 1 1 348.403 1.398 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@H]2C1 ZINC000284462746 274210980 /nfs/dbraw/zinc/21/09/80/274210980.db2.gz AOHMWNSZYQUFME-JKSUJKDBSA-N 1 1 349.387 1.366 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347402180 274897350 /nfs/dbraw/zinc/89/73/50/274897350.db2.gz FJHLVWARHUWVCJ-UHFFFAOYSA-N 1 1 339.359 1.598 20 5 EDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000249180420 278260130 /nfs/dbraw/zinc/26/01/30/278260130.db2.gz NBTZURGZISWNGR-STQMWFEESA-N 1 1 341.433 1.994 20 5 EDBDMO Cc1cc(C)n(CC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000264377417 280443379 /nfs/dbraw/zinc/44/33/79/280443379.db2.gz XTTHRYPZBGXUSD-UHFFFAOYSA-N 1 1 330.392 1.625 20 5 EDBDMO O=C(CC[N@H+]1CCC(F)(F)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000291771306 289175900 /nfs/dbraw/zinc/17/59/00/289175900.db2.gz LSGVWOOYPVCRCQ-NSHDSACASA-N 1 1 343.330 1.873 20 5 EDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000293666478 303000542 /nfs/dbraw/zinc/00/05/42/303000542.db2.gz JVNNMCXOSCQQRI-NSHDSACASA-N 1 1 335.408 1.827 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000293666478 303000543 /nfs/dbraw/zinc/00/05/43/303000543.db2.gz JVNNMCXOSCQQRI-NSHDSACASA-N 1 1 335.408 1.827 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000293666478 303000546 /nfs/dbraw/zinc/00/05/46/303000546.db2.gz JVNNMCXOSCQQRI-NSHDSACASA-N 1 1 335.408 1.827 20 5 EDBDMO CN(CC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC000294157779 303070704 /nfs/dbraw/zinc/07/07/04/303070704.db2.gz NWTZWTJMTWJYEW-GOSISDBHSA-N 1 1 346.431 1.975 20 5 EDBDMO C[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295484463 303225465 /nfs/dbraw/zinc/22/54/65/303225465.db2.gz ZIKUIABDVBDMOF-CQSZACIVSA-N 1 1 346.431 1.974 20 5 EDBDMO CN(C(=O)CN1CCC2(CC[NH2+]C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000431028330 305073078 /nfs/dbraw/zinc/07/30/78/305073078.db2.gz PFPNHJJAPWARSG-UHFFFAOYSA-N 1 1 332.404 1.633 20 5 EDBDMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000440506146 305208525 /nfs/dbraw/zinc/20/85/25/305208525.db2.gz DEFPRRHHXWAYCI-QGZVFWFLSA-N 1 1 344.371 1.290 20 5 EDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000443222885 305237038 /nfs/dbraw/zinc/23/70/38/305237038.db2.gz YTNLUGRKLJFQKI-CQSZACIVSA-N 1 1 341.433 1.994 20 5 EDBDMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000444378138 305247741 /nfs/dbraw/zinc/24/77/41/305247741.db2.gz ZOWTXWIXYBGBAQ-SNVBAGLBSA-N 1 1 327.406 1.574 20 5 EDBDMO CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448893125 305302928 /nfs/dbraw/zinc/30/29/28/305302928.db2.gz BFAYCSGCQNWTSA-UHFFFAOYSA-N 1 1 343.387 1.948 20 5 EDBDMO COC[C@]1(C(=O)OC)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451327886 305338991 /nfs/dbraw/zinc/33/89/91/305338991.db2.gz INASGVUHWRDHJV-HNNXBMFYSA-N 1 1 326.324 1.745 20 5 EDBDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451327886 305338992 /nfs/dbraw/zinc/33/89/92/305338992.db2.gz INASGVUHWRDHJV-HNNXBMFYSA-N 1 1 326.324 1.745 20 5 EDBDMO CNc1c(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000452372091 305394382 /nfs/dbraw/zinc/39/43/82/305394382.db2.gz UOTFMUNAXZVDRC-LBPRGKRZSA-N 1 1 336.392 1.213 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452394521 305397805 /nfs/dbraw/zinc/39/78/05/305397805.db2.gz VJDVTQLFQRPOLA-LBPRGKRZSA-N 1 1 341.795 1.825 20 5 EDBDMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000377793462 447359860 /nfs/dbraw/zinc/35/98/60/447359860.db2.gz SHFAUIDSIMCZMC-QQUHWDOBSA-N 1 1 338.433 1.443 20 5 EDBDMO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000377793462 447359863 /nfs/dbraw/zinc/35/98/63/447359863.db2.gz SHFAUIDSIMCZMC-QQUHWDOBSA-N 1 1 338.433 1.443 20 5 EDBDMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000377793462 447359867 /nfs/dbraw/zinc/35/98/67/447359867.db2.gz SHFAUIDSIMCZMC-QQUHWDOBSA-N 1 1 338.433 1.443 20 5 EDBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000541350071 306045429 /nfs/dbraw/zinc/04/54/29/306045429.db2.gz JFMXPTWLUYTYNJ-UHFFFAOYSA-N 1 1 328.390 1.479 20 5 EDBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000541350071 306045430 /nfs/dbraw/zinc/04/54/30/306045430.db2.gz JFMXPTWLUYTYNJ-UHFFFAOYSA-N 1 1 328.390 1.479 20 5 EDBDMO CN1CC[NH+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)CC1 ZINC000046933831 441137873 /nfs/dbraw/zinc/13/78/73/441137873.db2.gz ROVPHAAZACISHQ-UHFFFAOYSA-N 1 1 343.387 1.923 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000072584440 441239884 /nfs/dbraw/zinc/23/98/84/441239884.db2.gz REQSIPLJGPCNCW-GFCCVEGCSA-N 1 1 334.376 1.572 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000072584440 441239886 /nfs/dbraw/zinc/23/98/86/441239886.db2.gz REQSIPLJGPCNCW-GFCCVEGCSA-N 1 1 334.376 1.572 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000104747744 441203590 /nfs/dbraw/zinc/20/35/90/441203590.db2.gz XHMGZCGHHRAKOB-CYBMUJFWSA-N 1 1 341.433 1.784 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000104748250 441204341 /nfs/dbraw/zinc/20/43/41/441204341.db2.gz GXAAMUOJSLWDCW-LLVKDONJSA-N 1 1 343.405 1.176 20 5 EDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000060510925 441249251 /nfs/dbraw/zinc/24/92/51/441249251.db2.gz WEZJXUUKLLAFRY-NSHDSACASA-N 1 1 343.405 1.366 20 5 EDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000060510925 441249256 /nfs/dbraw/zinc/24/92/56/441249256.db2.gz WEZJXUUKLLAFRY-NSHDSACASA-N 1 1 343.405 1.366 20 5 EDBDMO COCC[N@@H+](C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000061379507 441270918 /nfs/dbraw/zinc/27/09/18/441270918.db2.gz ASNRGTMKRXDIRW-UHFFFAOYSA-N 1 1 333.186 1.742 20 5 EDBDMO CC(=O)N1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026339920 441375383 /nfs/dbraw/zinc/37/53/83/441375383.db2.gz LOVSNRLEMDYXFZ-UHFFFAOYSA-N 1 1 334.376 1.478 20 5 EDBDMO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000087312293 441486225 /nfs/dbraw/zinc/48/62/25/441486225.db2.gz JAHPHFBYVWRQRV-KGLIPLIRSA-N 1 1 335.404 1.753 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000065872317 441491198 /nfs/dbraw/zinc/49/11/98/441491198.db2.gz GARPQUQXMWTMLZ-UHFFFAOYSA-N 1 1 341.331 1.628 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000066403375 441529217 /nfs/dbraw/zinc/52/92/17/441529217.db2.gz PVUJXYLRIYPLSD-OAHLLOKOSA-N 1 1 334.376 1.923 20 5 EDBDMO CCC[N@H+]1CC[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000053583420 441531533 /nfs/dbraw/zinc/53/15/33/441531533.db2.gz ARDDZXDLAFANMD-NSHDSACASA-N 1 1 342.421 1.386 20 5 EDBDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000113257006 441592947 /nfs/dbraw/zinc/59/29/47/441592947.db2.gz SOHNGYCUIGINAB-VXGBXAGGSA-N 1 1 330.406 1.727 20 5 EDBDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000113257006 441592949 /nfs/dbraw/zinc/59/29/49/441592949.db2.gz SOHNGYCUIGINAB-VXGBXAGGSA-N 1 1 330.406 1.727 20 5 EDBDMO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000114063951 441632924 /nfs/dbraw/zinc/63/29/24/441632924.db2.gz UMRKBKROZYTLTJ-NSHDSACASA-N 1 1 335.360 1.225 20 5 EDBDMO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000114063951 441632928 /nfs/dbraw/zinc/63/29/28/441632928.db2.gz UMRKBKROZYTLTJ-NSHDSACASA-N 1 1 335.360 1.225 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000041890028 441681710 /nfs/dbraw/zinc/68/17/10/441681710.db2.gz GVYUOCHZSWDPSV-LBPRGKRZSA-N 1 1 346.387 1.442 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CO)C1 ZINC000121577001 441736241 /nfs/dbraw/zinc/73/62/41/441736241.db2.gz XQFGQDGESTVFLT-RYUDHWBXSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CO)C1 ZINC000121577001 441736246 /nfs/dbraw/zinc/73/62/46/441736246.db2.gz XQFGQDGESTVFLT-RYUDHWBXSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C[NH+]1CCOCC1 ZINC000137184481 441753941 /nfs/dbraw/zinc/75/39/41/441753941.db2.gz HSSOKSUIATYDEC-NSHDSACASA-N 1 1 341.795 1.946 20 5 EDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000121668604 441754619 /nfs/dbraw/zinc/75/46/19/441754619.db2.gz MVGMDLDLWBEJJB-UHFFFAOYSA-N 1 1 327.406 1.451 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[NH+]2CCN(C)CC2)c1 ZINC000173651315 441815231 /nfs/dbraw/zinc/81/52/31/441815231.db2.gz RHWUOOZDESOWNV-UHFFFAOYSA-N 1 1 334.420 1.613 20 5 EDBDMO CC(C)[N@@H+]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000068916292 441868179 /nfs/dbraw/zinc/86/81/79/441868179.db2.gz OYTXWYPCXICZHM-UHFFFAOYSA-N 1 1 341.433 1.919 20 5 EDBDMO CC(C)[N@H+]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000068916292 441868182 /nfs/dbraw/zinc/86/81/82/441868182.db2.gz OYTXWYPCXICZHM-UHFFFAOYSA-N 1 1 341.433 1.919 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000068575679 441826755 /nfs/dbraw/zinc/82/67/55/441826755.db2.gz GDHWVHXXQXOYMJ-QWHCGFSZSA-N 1 1 337.424 1.726 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)C[NH+]1CCOCC1 ZINC000150918164 441975351 /nfs/dbraw/zinc/97/53/51/441975351.db2.gz ZRZMUEUTMZVQNW-GFCCVEGCSA-N 1 1 336.392 1.335 20 5 EDBDMO O=C1[C@@H](N2CC[N@H+]3CCCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000177760075 442380939 /nfs/dbraw/zinc/38/09/39/442380939.db2.gz WGTRCVXMDYQEJQ-SJORKVTESA-N 1 1 344.415 1.870 20 5 EDBDMO COCC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000155329740 442387633 /nfs/dbraw/zinc/38/76/33/442387633.db2.gz KSKKPFGPBYGAPO-LBPRGKRZSA-N 1 1 339.367 1.456 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000155329740 442387636 /nfs/dbraw/zinc/38/76/36/442387636.db2.gz KSKKPFGPBYGAPO-LBPRGKRZSA-N 1 1 339.367 1.456 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172036206 442402788 /nfs/dbraw/zinc/40/27/88/442402788.db2.gz XWORGLXPVOHVRL-GTKHYJCHSA-N 1 1 349.387 1.635 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172036206 442402789 /nfs/dbraw/zinc/40/27/89/442402789.db2.gz XWORGLXPVOHVRL-GTKHYJCHSA-N 1 1 349.387 1.635 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172414369 442457543 /nfs/dbraw/zinc/45/75/43/442457543.db2.gz QUIMMLHKJUHEAE-UHFFFAOYSA-N 1 1 335.408 1.577 20 5 EDBDMO CC[N@H+](CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000133880608 442438181 /nfs/dbraw/zinc/43/81/81/442438181.db2.gz ZXHKHYJUILBYPT-UHFFFAOYSA-N 1 1 330.348 1.803 20 5 EDBDMO CC[N@@H+](CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000133880608 442438185 /nfs/dbraw/zinc/43/81/85/442438185.db2.gz ZXHKHYJUILBYPT-UHFFFAOYSA-N 1 1 330.348 1.803 20 5 EDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000172836178 442551198 /nfs/dbraw/zinc/55/11/98/442551198.db2.gz IMFCDVBEIQLPPQ-ZDUSSCGKSA-N 1 1 336.392 1.089 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC(C)(CO)CO)cccc1[N+](=O)[O-] ZINC000135864694 442637936 /nfs/dbraw/zinc/63/79/36/442637936.db2.gz VUIMXTFKJMIDLA-GFCCVEGCSA-N 1 1 339.392 1.153 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(CO)CO)cccc1[N+](=O)[O-] ZINC000135864694 442637939 /nfs/dbraw/zinc/63/79/39/442637939.db2.gz VUIMXTFKJMIDLA-GFCCVEGCSA-N 1 1 339.392 1.153 20 5 EDBDMO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000157828121 442617933 /nfs/dbraw/zinc/61/79/33/442617933.db2.gz NLKFZILLHMJSSQ-RNCFNFMXSA-N 1 1 327.768 1.697 20 5 EDBDMO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157828121 442617937 /nfs/dbraw/zinc/61/79/37/442617937.db2.gz NLKFZILLHMJSSQ-RNCFNFMXSA-N 1 1 327.768 1.697 20 5 EDBDMO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182356640 442760201 /nfs/dbraw/zinc/76/02/01/442760201.db2.gz SPAWTEBUGVGCLD-AWEZNQCLSA-N 1 1 342.779 1.994 20 5 EDBDMO Cc1c(CC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000194010388 442827514 /nfs/dbraw/zinc/82/75/14/442827514.db2.gz MMDPHUTYOXELAD-CHWSQXEVSA-N 1 1 335.404 1.359 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268158767 442876145 /nfs/dbraw/zinc/87/61/45/442876145.db2.gz IVDFTSCRIYJCQV-BXUZGUMPSA-N 1 1 346.387 1.441 20 5 EDBDMO Cc1nn(CCC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000268191140 442891596 /nfs/dbraw/zinc/89/15/96/442891596.db2.gz HSCLEPPPVSXKQM-IINYFYTJSA-N 1 1 335.408 1.397 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184494915 443028889 /nfs/dbraw/zinc/02/88/89/443028889.db2.gz LMWNVZBWHCBPAH-CYBMUJFWSA-N 1 1 341.433 1.698 20 5 EDBDMO Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000266284531 443086155 /nfs/dbraw/zinc/08/61/55/443086155.db2.gz VDPQQRYVLSEIBP-UHFFFAOYSA-N 1 1 339.377 1.249 20 5 EDBDMO NC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000266216902 443061861 /nfs/dbraw/zinc/06/18/61/443061861.db2.gz RAEUBBGFURQKEF-GFCCVEGCSA-N 1 1 329.360 1.796 20 5 EDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1OCCc2ccccc21 ZINC000266553913 443167177 /nfs/dbraw/zinc/16/71/77/443167177.db2.gz VAXLJIMLVBTCHF-NVXWUHKLSA-N 1 1 346.387 1.398 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC[C@H](OCCO)C2)c([N+](=O)[O-])c1 ZINC000266526967 443157698 /nfs/dbraw/zinc/15/76/98/443157698.db2.gz KSVQUQLHBAXDRR-AWEZNQCLSA-N 1 1 340.376 1.456 20 5 EDBDMO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000266667470 443202284 /nfs/dbraw/zinc/20/22/84/443202284.db2.gz MCTLNJZHXQRTIG-ZDUSSCGKSA-N 1 1 332.404 1.921 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000185546430 443216960 /nfs/dbraw/zinc/21/69/60/443216960.db2.gz VORHKIZNKMYBJW-CQSZACIVSA-N 1 1 349.435 1.420 20 5 EDBDMO Cn1ccc(N2CC[C@H]([NH2+]Cc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)n1 ZINC000360093056 319116964 /nfs/dbraw/zinc/11/69/64/319116964.db2.gz OHLMTIQDSHHYBX-LBPRGKRZSA-N 1 1 349.778 1.877 20 5 EDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000191176627 443253365 /nfs/dbraw/zinc/25/33/65/443253365.db2.gz BKHVDNZWIZDJEA-KYOSRNDESA-N 1 1 335.360 1.030 20 5 EDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000191176627 443253368 /nfs/dbraw/zinc/25/33/68/443253368.db2.gz BKHVDNZWIZDJEA-KYOSRNDESA-N 1 1 335.360 1.030 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185780003 443255806 /nfs/dbraw/zinc/25/58/06/443255806.db2.gz WPJUGJOMZXZDML-CYBMUJFWSA-N 1 1 327.406 1.748 20 5 EDBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000185934555 443286397 /nfs/dbraw/zinc/28/63/97/443286397.db2.gz CIEOHEUWTCFCMK-GHMZBOCLSA-N 1 1 325.390 1.498 20 5 EDBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000185934555 443286399 /nfs/dbraw/zinc/28/63/99/443286399.db2.gz CIEOHEUWTCFCMK-GHMZBOCLSA-N 1 1 325.390 1.498 20 5 EDBDMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000266843437 443263952 /nfs/dbraw/zinc/26/39/52/443263952.db2.gz NTPISGBIHPEIFY-UHFFFAOYSA-N 1 1 344.419 1.971 20 5 EDBDMO C[N@@H+](CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000264814251 443436928 /nfs/dbraw/zinc/43/69/28/443436928.db2.gz GRXCJVVAWKWIMX-UHFFFAOYSA-N 1 1 347.419 1.521 20 5 EDBDMO CS[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270967747 443485235 /nfs/dbraw/zinc/48/52/35/443485235.db2.gz BHHWYQCXLHXHTK-UWVGGRQHSA-N 1 1 341.437 1.559 20 5 EDBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000265185915 443562777 /nfs/dbraw/zinc/56/27/77/443562777.db2.gz HNHHCBYPLYBDTO-OIISXLGYSA-N 1 1 338.404 1.960 20 5 EDBDMO CCCNC(=O)C[NH+]1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265290309 443596885 /nfs/dbraw/zinc/59/68/85/443596885.db2.gz XTPQSGUEZDUBFL-UHFFFAOYSA-N 1 1 335.408 1.701 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000440587698 320074774 /nfs/dbraw/zinc/07/47/74/320074774.db2.gz IZAKRZHMYICATN-LBPRGKRZSA-N 1 1 328.319 1.625 20 5 EDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000440833203 320082156 /nfs/dbraw/zinc/08/21/56/320082156.db2.gz NNQZEEWHCAFKSM-ZDUSSCGKSA-N 1 1 341.433 1.974 20 5 EDBDMO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000447940710 320148800 /nfs/dbraw/zinc/14/88/00/320148800.db2.gz OVVVLJGCMTUQTA-CQSZACIVSA-N 1 1 341.433 1.994 20 5 EDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000447940710 320148802 /nfs/dbraw/zinc/14/88/02/320148802.db2.gz OVVVLJGCMTUQTA-CQSZACIVSA-N 1 1 341.433 1.994 20 5 EDBDMO CNC(=O)C[NH+]1CCC(Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450240066 320215827 /nfs/dbraw/zinc/21/58/27/320215827.db2.gz GHQIKCDSNYBSMY-UHFFFAOYSA-N 1 1 343.387 1.765 20 5 EDBDMO CC1(C)CCC[N@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454067367 320281478 /nfs/dbraw/zinc/28/14/78/320281478.db2.gz JOIZNQIEJWLTAP-UHFFFAOYSA-N 1 1 334.376 1.524 20 5 EDBDMO NC(=O)c1ccnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000290926618 443712574 /nfs/dbraw/zinc/71/25/74/443712574.db2.gz JARTZQSZNMXLCM-SMDDNHRTSA-N 1 1 345.403 1.542 20 5 EDBDMO COCC1CC[NH+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000524292507 320488005 /nfs/dbraw/zinc/48/80/05/320488005.db2.gz SVYXUPWMZKSANQ-HNNXBMFYSA-N 1 1 347.371 1.585 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1C ZINC000281105343 443820285 /nfs/dbraw/zinc/82/02/85/443820285.db2.gz FSVOLEDMFGYXTO-MNOVXSKESA-N 1 1 347.375 1.135 20 5 EDBDMO O=C(C[N@@H+]1CC[C@@H](O)C12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292747207 443833082 /nfs/dbraw/zinc/83/30/82/443833082.db2.gz NOOSPLGEOQRQLT-MRXNPFEDSA-N 1 1 345.399 1.863 20 5 EDBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285179284 443885868 /nfs/dbraw/zinc/88/58/68/443885868.db2.gz NVMVRXPYWLGZAO-UHFFFAOYSA-N 1 1 329.360 1.496 20 5 EDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCS(=O)(=O)C1 ZINC000285273013 443921345 /nfs/dbraw/zinc/92/13/45/443921345.db2.gz ITKSXIPJPYAETA-ZDUSSCGKSA-N 1 1 326.418 1.894 20 5 EDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCS(=O)(=O)C1 ZINC000285273013 443921349 /nfs/dbraw/zinc/92/13/49/443921349.db2.gz ITKSXIPJPYAETA-ZDUSSCGKSA-N 1 1 326.418 1.894 20 5 EDBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000299398108 444037526 /nfs/dbraw/zinc/03/75/26/444037526.db2.gz JQDPVOIQKHOGSD-OAHLLOKOSA-N 1 1 328.372 1.856 20 5 EDBDMO O=C(CC[N@@H+]1CCC[C@@]12CCOC2=O)Nc1ccccc1[N+](=O)[O-] ZINC000281935639 444043226 /nfs/dbraw/zinc/04/32/26/444043226.db2.gz DPIRXTKABXAGOP-INIZCTEOSA-N 1 1 333.344 1.705 20 5 EDBDMO O=C(CC[N@H+]1CCC[C@@]12CCOC2=O)Nc1ccccc1[N+](=O)[O-] ZINC000281935639 444043229 /nfs/dbraw/zinc/04/32/29/444043229.db2.gz DPIRXTKABXAGOP-INIZCTEOSA-N 1 1 333.344 1.705 20 5 EDBDMO CCOc1cc(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000281941895 444045076 /nfs/dbraw/zinc/04/50/76/444045076.db2.gz FAXHOKQFVPURGS-ZIAGYGMSSA-N 1 1 337.420 1.880 20 5 EDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000293643325 444077856 /nfs/dbraw/zinc/07/78/56/444077856.db2.gz JYHQMUCALMSYHS-CZUORRHYSA-N 1 1 335.404 1.441 20 5 EDBDMO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000562432768 321058046 /nfs/dbraw/zinc/05/80/46/321058046.db2.gz UYHWVBPSAHBDOP-LLVKDONJSA-N 1 1 328.394 1.141 20 5 EDBDMO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000562432768 321058047 /nfs/dbraw/zinc/05/80/47/321058047.db2.gz UYHWVBPSAHBDOP-LLVKDONJSA-N 1 1 328.394 1.141 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1nnc2ccccn21 ZINC000568496422 321293932 /nfs/dbraw/zinc/29/39/32/321293932.db2.gz UTIONCNWEXSTFI-GFCCVEGCSA-N 1 1 343.343 1.167 20 5 EDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)C1 ZINC000294090320 444101573 /nfs/dbraw/zinc/10/15/73/444101573.db2.gz KDBOZUCBWCEFRV-INIZCTEOSA-N 1 1 336.367 1.874 20 5 EDBDMO Cc1c(CC(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000285989918 444170204 /nfs/dbraw/zinc/17/02/04/444170204.db2.gz YIFIHLKXJBZYAB-HOTGVXAUSA-N 1 1 333.388 1.377 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302139590 444205781 /nfs/dbraw/zinc/20/57/81/444205781.db2.gz OGOWVYSMMGLIQO-JTQLQIEISA-N 1 1 328.394 1.137 20 5 EDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000289591899 444177939 /nfs/dbraw/zinc/17/79/39/444177939.db2.gz GSVOQUCKTDZKLB-LBPRGKRZSA-N 1 1 325.413 1.726 20 5 EDBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301593056 444181590 /nfs/dbraw/zinc/18/15/90/444181590.db2.gz RDSHEKSRJFJVKG-OLZOCXBDSA-N 1 1 343.387 1.666 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000289773828 444201644 /nfs/dbraw/zinc/20/16/44/444201644.db2.gz ZYQPAEQXZHSIBP-CYBMUJFWSA-N 1 1 343.449 1.785 20 5 EDBDMO CN(C)c1ncccc1O[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296068356 444202433 /nfs/dbraw/zinc/20/24/33/444202433.db2.gz VDHSPZBOIHODGC-CQSZACIVSA-N 1 1 346.391 1.406 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289795576 444204666 /nfs/dbraw/zinc/20/46/66/444204666.db2.gz PRBVICZOBOHJPR-UHFFFAOYSA-N 1 1 337.424 1.942 20 5 EDBDMO CN(CCCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000289795576 444204668 /nfs/dbraw/zinc/20/46/68/444204668.db2.gz PRBVICZOBOHJPR-UHFFFAOYSA-N 1 1 337.424 1.942 20 5 EDBDMO C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)NC(=O)NC1=O ZINC000289985362 444227204 /nfs/dbraw/zinc/22/72/04/444227204.db2.gz ZYBBTGRRRNZLEK-BBRMVZONSA-N 1 1 332.360 1.547 20 5 EDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290623090 444302786 /nfs/dbraw/zinc/30/27/86/444302786.db2.gz LQUUDTWBAUJMCM-GRYCIOLGSA-N 1 1 335.408 1.867 20 5 EDBDMO O=CN1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000298065584 444403228 /nfs/dbraw/zinc/40/32/28/444403228.db2.gz KMVYMAKORNJCTK-UHFFFAOYSA-N 1 1 344.371 1.956 20 5 EDBDMO C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H](C)[N@H+]1CCO ZINC000581188717 322147130 /nfs/dbraw/zinc/14/71/30/322147130.db2.gz XFFJDTFIXFFEJZ-BETUJISGSA-N 1 1 334.420 1.760 20 5 EDBDMO C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H](C)[N@@H+]1CCO ZINC000581188717 322147132 /nfs/dbraw/zinc/14/71/32/322147132.db2.gz XFFJDTFIXFFEJZ-BETUJISGSA-N 1 1 334.420 1.760 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000581296111 322159810 /nfs/dbraw/zinc/15/98/10/322159810.db2.gz GBAQDBRFXSUZBR-OAHLLOKOSA-N 1 1 349.387 1.921 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000581296111 322159811 /nfs/dbraw/zinc/15/98/11/322159811.db2.gz GBAQDBRFXSUZBR-OAHLLOKOSA-N 1 1 349.387 1.921 20 5 EDBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000343776730 444583924 /nfs/dbraw/zinc/58/39/24/444583924.db2.gz GFMWFIYZCGJWCX-BBRMVZONSA-N 1 1 332.404 1.470 20 5 EDBDMO CCN1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000342361270 444654869 /nfs/dbraw/zinc/65/48/69/444654869.db2.gz SLOFWKRIENOWPJ-OAHLLOKOSA-N 1 1 337.420 1.751 20 5 EDBDMO CC[NH+]1CCC(N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000342361270 444654883 /nfs/dbraw/zinc/65/48/83/444654883.db2.gz SLOFWKRIENOWPJ-OAHLLOKOSA-N 1 1 337.420 1.751 20 5 EDBDMO Cc1sc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000342487267 444712442 /nfs/dbraw/zinc/71/24/42/444712442.db2.gz BRGJWAAOXPSLLB-CMPLNLGQSA-N 1 1 345.446 1.679 20 5 EDBDMO Cc1sc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000342487267 444712447 /nfs/dbraw/zinc/71/24/47/444712447.db2.gz BRGJWAAOXPSLLB-CMPLNLGQSA-N 1 1 345.446 1.679 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344027398 444737308 /nfs/dbraw/zinc/73/73/08/444737308.db2.gz LGOPOAHUOJQJBO-BJJXKVORSA-N 1 1 333.388 1.935 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1C ZINC000344048093 444748997 /nfs/dbraw/zinc/74/89/97/444748997.db2.gz KQOILFTWPZRLHG-TZMCWYRMSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1C ZINC000344048093 444749004 /nfs/dbraw/zinc/74/90/04/444749004.db2.gz KQOILFTWPZRLHG-TZMCWYRMSA-N 1 1 341.433 1.973 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000344543358 445047429 /nfs/dbraw/zinc/04/74/29/445047429.db2.gz VXWDFMMPFIXJJZ-STQMWFEESA-N 1 1 337.376 1.395 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000330586562 445048580 /nfs/dbraw/zinc/04/85/80/445048580.db2.gz LRKFIMVXSVLZSU-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000330586562 445048584 /nfs/dbraw/zinc/04/85/84/445048584.db2.gz LRKFIMVXSVLZSU-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000330575065 445042382 /nfs/dbraw/zinc/04/23/82/445042382.db2.gz FWIQYDAQSQBVBR-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000330575065 445042385 /nfs/dbraw/zinc/04/23/85/445042385.db2.gz FWIQYDAQSQBVBR-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337546199 445130374 /nfs/dbraw/zinc/13/03/74/445130374.db2.gz MMNKBHJIQADZBW-KBPBESRZSA-N 1 1 347.419 1.933 20 5 EDBDMO Cc1nn(C)c(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346174326 445207267 /nfs/dbraw/zinc/20/72/67/445207267.db2.gz YDVPZCLERFKSHE-NQBHXWOUSA-N 1 1 335.408 1.439 20 5 EDBDMO C[C@H]1[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343483373 445231593 /nfs/dbraw/zinc/23/15/93/445231593.db2.gz DRFZTRLVBUGIHE-GXTWGEPZSA-N 1 1 343.387 1.993 20 5 EDBDMO C[C@H]1[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343533284 445239671 /nfs/dbraw/zinc/23/96/71/445239671.db2.gz WPPJUAVMSVRUSZ-WCQYABFASA-N 1 1 344.375 1.388 20 5 EDBDMO 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ZINC000357613514 445570694 /nfs/dbraw/zinc/57/06/94/445570694.db2.gz GVEHZBLYFBFZLP-UHFFFAOYSA-N 1 1 330.392 1.919 20 5 EDBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cn1 ZINC000363134500 445690581 /nfs/dbraw/zinc/69/05/81/445690581.db2.gz HXRJRNJVNYYJBW-LBPRGKRZSA-N 1 1 343.387 1.492 20 5 EDBDMO COC(=O)COc1ccc(CN[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000353756110 445740739 /nfs/dbraw/zinc/74/07/39/445740739.db2.gz FLCCTQIMXRGNCE-ZDUSSCGKSA-N 1 1 349.387 1.473 20 5 EDBDMO COC(=O)COc1ccc(CN[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000353756110 445740744 /nfs/dbraw/zinc/74/07/44/445740744.db2.gz FLCCTQIMXRGNCE-ZDUSSCGKSA-N 1 1 349.387 1.473 20 5 EDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356469636 445808400 /nfs/dbraw/zinc/80/84/00/445808400.db2.gz UZNXDBBYKSEBFZ-TZMCWYRMSA-N 1 1 343.387 1.894 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000363663920 445866340 /nfs/dbraw/zinc/86/63/40/445866340.db2.gz 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C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000590765378 449285609 /nfs/dbraw/zinc/28/56/09/449285609.db2.gz SUMXUWHWPSIQBA-ZFWWWQNUSA-N 1 1 331.372 1.720 20 5 EDBDMO O=c1[nH]ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c1[N+](=O)[O-] ZINC000596106278 449364319 /nfs/dbraw/zinc/36/43/19/449364319.db2.gz RZNQQQBHKWNYRE-UHFFFAOYSA-N 1 1 330.344 1.723 20 5 EDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596109765 449365534 /nfs/dbraw/zinc/36/55/34/449365534.db2.gz INLJVWOFLMNOCB-LBPRGKRZSA-N 1 1 337.380 1.050 20 5 EDBDMO CCCC[N@@H+](C)CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596122508 449374173 /nfs/dbraw/zinc/37/41/73/449374173.db2.gz JZIVGNLXWCQJCF-UHFFFAOYSA-N 1 1 330.410 1.386 20 5 EDBDMO Cc1cc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc([N+](=O)[O-])c1 ZINC000598452806 449402265 /nfs/dbraw/zinc/40/22/65/449402265.db2.gz MJUSJMQBHXUYLW-MRXNPFEDSA-N 1 1 333.388 1.574 20 5 EDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598452911 449402335 /nfs/dbraw/zinc/40/23/35/449402335.db2.gz NQWLTMSIRIJQJP-LBPRGKRZSA-N 1 1 325.390 1.328 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598452229 449402517 /nfs/dbraw/zinc/40/25/17/449402517.db2.gz HQBQYBLLSGKIPJ-MRXNPFEDSA-N 1 1 333.388 1.195 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000602192798 449422214 /nfs/dbraw/zinc/42/22/14/449422214.db2.gz AFIZCWJTTJWQBA-UHFFFAOYSA-N 1 1 348.403 1.058 20 5 EDBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598563003 449467164 /nfs/dbraw/zinc/46/71/64/449467164.db2.gz YWYJEBUUAXHYKQ-ZDUSSCGKSA-N 1 1 335.408 1.489 20 5 EDBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000599078902 449720997 /nfs/dbraw/zinc/72/09/97/449720997.db2.gz JSUVEFBSNBWGFT-HOTGVXAUSA-N 1 1 345.403 1.338 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594775267 449687984 /nfs/dbraw/zinc/68/79/84/449687984.db2.gz JDIWJMXDSDXFDP-RYUDHWBXSA-N 1 1 340.405 1.095 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594775266 449688306 /nfs/dbraw/zinc/68/83/06/449688306.db2.gz JDIWJMXDSDXFDP-NWDGAFQWSA-N 1 1 340.405 1.095 20 5 EDBDMO CC[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000601256218 449779351 /nfs/dbraw/zinc/77/93/51/449779351.db2.gz MMVYZQMAOBFRJI-NEPJUHHUSA-N 1 1 339.367 1.651 20 5 EDBDMO CC[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000601256218 449779354 /nfs/dbraw/zinc/77/93/54/449779354.db2.gz MMVYZQMAOBFRJI-NEPJUHHUSA-N 1 1 339.367 1.651 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])s1 ZINC000601303623 449812953 /nfs/dbraw/zinc/81/29/53/449812953.db2.gz HDECBFSEEUTNJG-UHFFFAOYSA-N 1 1 347.462 1.975 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601318544 449828043 /nfs/dbraw/zinc/82/80/43/449828043.db2.gz OFCSESBJZSVULG-SNVBAGLBSA-N 1 1 343.380 1.557 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601318544 449828048 /nfs/dbraw/zinc/82/80/48/449828048.db2.gz OFCSESBJZSVULG-SNVBAGLBSA-N 1 1 343.380 1.557 20 5 EDBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602764623 449790795 /nfs/dbraw/zinc/79/07/95/449790795.db2.gz FAJZKQIRRXVWBC-CQSZACIVSA-N 1 1 337.424 1.728 20 5 EDBDMO C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000601347751 449859366 /nfs/dbraw/zinc/85/93/66/449859366.db2.gz KNOODNYCVKGRNC-BBRMVZONSA-N 1 1 347.415 1.852 20 5 EDBDMO C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000601347751 449859371 /nfs/dbraw/zinc/85/93/71/449859371.db2.gz KNOODNYCVKGRNC-BBRMVZONSA-N 1 1 347.415 1.852 20 5 EDBDMO CO[C@@]1(C(F)(F)F)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000614923453 449879245 /nfs/dbraw/zinc/87/92/45/449879245.db2.gz AIUIVQLFFKPHKO-ZDUSSCGKSA-N 1 1 349.309 1.800 20 5 EDBDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000614923453 449879248 /nfs/dbraw/zinc/87/92/48/449879248.db2.gz AIUIVQLFFKPHKO-ZDUSSCGKSA-N 1 1 349.309 1.800 20 5 EDBDMO CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000595130011 449888490 /nfs/dbraw/zinc/88/84/90/449888490.db2.gz IHKKGBRIKIEFMJ-AWEZNQCLSA-N 1 1 348.403 1.784 20 5 EDBDMO CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@@H+](CC)C1 ZINC000595132093 449890135 /nfs/dbraw/zinc/89/01/35/449890135.db2.gz RSIUYNKZOZKETM-AWEZNQCLSA-N 1 1 348.403 1.784 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000602842641 449849328 /nfs/dbraw/zinc/84/93/28/449849328.db2.gz ZDIKSGCGOGYZTK-NSHDSACASA-N 1 1 349.357 1.916 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)C1 ZINC000595194156 449935545 /nfs/dbraw/zinc/93/55/45/449935545.db2.gz JQZFLDMYRNHRIV-ZDUSSCGKSA-N 1 1 348.403 1.696 20 5 EDBDMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602941213 449943433 /nfs/dbraw/zinc/94/34/33/449943433.db2.gz HHQJUQPFOAJNRA-INIZCTEOSA-N 1 1 343.387 1.723 20 5 EDBDMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602941213 449943438 /nfs/dbraw/zinc/94/34/38/449943438.db2.gz HHQJUQPFOAJNRA-INIZCTEOSA-N 1 1 343.387 1.723 20 5 EDBDMO Cc1nnc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1C ZINC000602945662 449947747 /nfs/dbraw/zinc/94/77/47/449947747.db2.gz ZMZOGHFGVIDAKM-UHFFFAOYSA-N 1 1 330.392 1.662 20 5 EDBDMO Cc1c(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cccc1[N+](=O)[O-] ZINC000609101139 449959454 /nfs/dbraw/zinc/95/94/54/449959454.db2.gz IKMIWGRSXFNLKW-UHFFFAOYSA-N 1 1 341.414 1.902 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000601440382 449962344 /nfs/dbraw/zinc/96/23/44/449962344.db2.gz QKHDEKNUHSTFNR-LBPRGKRZSA-N 1 1 327.406 1.700 20 5 EDBDMO CC(C)N1CCC[C@@H]([NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C1=O ZINC000602965486 449967580 /nfs/dbraw/zinc/96/75/80/449967580.db2.gz GRQLHLJCFYGKJX-WBVHZDCISA-N 1 1 335.404 1.791 20 5 EDBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595353610 450067878 /nfs/dbraw/zinc/06/78/78/450067878.db2.gz IJWDIYFBTZTWFF-NSHDSACASA-N 1 1 343.405 1.366 20 5 EDBDMO CC[C@@H]1[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC[N@H+]1C ZINC000601519597 450041332 /nfs/dbraw/zinc/04/13/32/450041332.db2.gz CIVOSJSKJSKATR-JKSUJKDBSA-N 1 1 333.388 1.915 20 5 EDBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCOC1 ZINC000609631775 450077376 /nfs/dbraw/zinc/07/73/76/450077376.db2.gz WHRHBSAMCQCCAN-ZDUSSCGKSA-N 1 1 333.388 1.842 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609675390 450083911 /nfs/dbraw/zinc/08/39/11/450083911.db2.gz PVZNSWUBWHVFNZ-SNVBAGLBSA-N 1 1 333.435 1.619 20 5 EDBDMO C[C@@H]1CN(CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@H](C)O1 ZINC000595374609 450087480 /nfs/dbraw/zinc/08/74/80/450087480.db2.gz HPTRFVZWKNEWCQ-ZNMIVQPWSA-N 1 1 349.435 1.585 20 5 EDBDMO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NC1CCCC1 ZINC000609846443 450104563 /nfs/dbraw/zinc/10/45/63/450104563.db2.gz SKJJMCSQMROHBR-ZDUSSCGKSA-N 1 1 333.392 1.535 20 5 EDBDMO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NC1CCCC1 ZINC000609846443 450104564 /nfs/dbraw/zinc/10/45/64/450104564.db2.gz SKJJMCSQMROHBR-ZDUSSCGKSA-N 1 1 333.392 1.535 20 5 EDBDMO COc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000597581754 450125360 /nfs/dbraw/zinc/12/53/60/450125360.db2.gz QMIOSWUKZITEEX-QWHCGFSZSA-N 1 1 337.351 1.862 20 5 EDBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1C[C@@H](O)C1 ZINC000599672328 450142664 /nfs/dbraw/zinc/14/26/64/450142664.db2.gz LGYSUJZCIAJYGS-JGZJWPJOSA-N 1 1 327.768 1.889 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](CCCF)CC1 ZINC000599673357 450144708 /nfs/dbraw/zinc/14/47/08/450144708.db2.gz ZOXGDLSSRQGLRM-UHFFFAOYSA-N 1 1 338.383 1.819 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H]4CC[C@@H](O)[C@@H]43)n2)c1 ZINC000599681398 450149174 /nfs/dbraw/zinc/14/91/74/450149174.db2.gz PXEYCVJLJKSFSK-PSOPSSQASA-N 1 1 330.344 1.990 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000610264719 450174893 /nfs/dbraw/zinc/17/48/93/450174893.db2.gz MJLGODPNAMYBEY-NEPJUHHUSA-N 1 1 342.421 1.483 20 5 EDBDMO O=C(NCC[NH+]1CCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599718014 450176367 /nfs/dbraw/zinc/17/63/67/450176367.db2.gz LNAMFIIHWOVYJF-UHFFFAOYSA-N 1 1 328.166 1.793 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC000597694025 450201023 /nfs/dbraw/zinc/20/10/23/450201023.db2.gz IJGOXUDKJGQQET-UHFFFAOYSA-N 1 1 346.431 1.531 20 5 EDBDMO CC[N@H+]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000595535786 450213941 /nfs/dbraw/zinc/21/39/41/450213941.db2.gz QJMKPARUYRBTPM-GDBMZVCRSA-N 1 1 337.420 1.751 20 5 EDBDMO CCN1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000595535786 450213947 /nfs/dbraw/zinc/21/39/47/450213947.db2.gz QJMKPARUYRBTPM-GDBMZVCRSA-N 1 1 337.420 1.751 20 5 EDBDMO CCN1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000595535786 450213951 /nfs/dbraw/zinc/21/39/51/450213951.db2.gz QJMKPARUYRBTPM-GDBMZVCRSA-N 1 1 337.420 1.751 20 5 EDBDMO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000610576968 450265465 /nfs/dbraw/zinc/26/54/65/450265465.db2.gz NUZOUUJVEVKNQC-NSHDSACASA-N 1 1 345.396 1.887 20 5 EDBDMO C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000610899554 450373992 /nfs/dbraw/zinc/37/39/92/450373992.db2.gz GROVNWOHQNKHDG-WFASDCNBSA-N 1 1 336.392 1.156 20 5 EDBDMO C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000610899554 450373994 /nfs/dbraw/zinc/37/39/94/450373994.db2.gz GROVNWOHQNKHDG-WFASDCNBSA-N 1 1 336.392 1.156 20 5 EDBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171718253 534060495 /nfs/dbraw/zinc/06/04/95/534060495.db2.gz VBYLKJGMNVDULB-KGLIPLIRSA-N 1 1 349.435 1.591 20 5 EDBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000195188433 536368525 /nfs/dbraw/zinc/36/85/25/536368525.db2.gz JOYBUTGMHGKBEH-MRXNPFEDSA-N 1 1 332.404 1.333 20 5 EDBDMO C[N@H+]1CCC[C@]2(CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000339426952 536394758 /nfs/dbraw/zinc/39/47/58/536394758.db2.gz DEUUYEYLTICIAI-QAPCUYQASA-N 1 1 349.431 1.752 20 5 EDBDMO CN1CCC[C@]2(CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000339426952 536394771 /nfs/dbraw/zinc/39/47/71/536394771.db2.gz DEUUYEYLTICIAI-QAPCUYQASA-N 1 1 349.431 1.752 20 5 EDBDMO CN1CCC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000339426952 536394776 /nfs/dbraw/zinc/39/47/76/536394776.db2.gz DEUUYEYLTICIAI-QAPCUYQASA-N 1 1 349.431 1.752 20 5 EDBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C2CC2)CC1 ZINC000742442876 579452152 /nfs/dbraw/zinc/45/21/52/579452152.db2.gz ZYIRMEIBZOJQLZ-UHFFFAOYSA-N 1 1 329.360 1.251 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000726165200 578335308 /nfs/dbraw/zinc/33/53/08/578335308.db2.gz WXBZQBRGYDLGOS-STQMWFEESA-N 1 1 344.371 1.669 20 5 EDBDMO C[C@H](NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000729497269 578577809 /nfs/dbraw/zinc/57/78/09/578577809.db2.gz PYZKETXZIXDDIL-APHBMKBZSA-N 1 1 348.403 1.818 20 5 EDBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000729919447 578599051 /nfs/dbraw/zinc/59/90/51/578599051.db2.gz JBJDIQZHIGJTNY-ZDUSSCGKSA-N 1 1 348.403 1.255 20 5 EDBDMO CCOC[C@H](O)C[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000729929653 578602421 /nfs/dbraw/zinc/60/24/21/578602421.db2.gz HVIHUQIBEDFRMN-OAHLLOKOSA-N 1 1 341.383 1.249 20 5 EDBDMO CC[NH+]1CCN(C(=O)CNc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000731209735 578670821 /nfs/dbraw/zinc/67/08/21/578670821.db2.gz XSADPSUYPSDPPU-UHFFFAOYSA-N 1 1 349.416 1.781 20 5 EDBDMO CC1(C)COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736215378 578965591 /nfs/dbraw/zinc/96/55/91/578965591.db2.gz WSUBHWJJUMIHAG-UHFFFAOYSA-N 1 1 347.379 1.298 20 5 EDBDMO CC1(C)COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736215378 578965592 /nfs/dbraw/zinc/96/55/92/578965592.db2.gz WSUBHWJJUMIHAG-UHFFFAOYSA-N 1 1 347.379 1.298 20 5 EDBDMO CC(C)(C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000739708034 579239326 /nfs/dbraw/zinc/23/93/26/579239326.db2.gz CRWAPWRZWGFVER-HOTGVXAUSA-N 1 1 347.415 1.852 20 5 EDBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000753094910 579872471 /nfs/dbraw/zinc/87/24/71/579872471.db2.gz RRVCDABFSTZCBO-CHWSQXEVSA-N 1 1 337.351 1.635 20 5 EDBDMO O=C(CC[NH+]1CCOCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756988423 579961583 /nfs/dbraw/zinc/96/15/83/579961583.db2.gz GMIBXTKANMKMMQ-UHFFFAOYSA-N 1 1 327.768 1.587 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000766650043 580171170 /nfs/dbraw/zinc/17/11/70/580171170.db2.gz QUNNLHZTCUDJIO-ZDUSSCGKSA-N 1 1 330.344 1.760 20 5 EDBDMO Cc1c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000769144911 580229931 /nfs/dbraw/zinc/22/99/31/580229931.db2.gz KINDZSFKCBUBHO-VHSXEESVSA-N 1 1 336.348 1.976 20 5 EDBDMO Cc1c(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000769144911 580229932 /nfs/dbraw/zinc/22/99/32/580229932.db2.gz KINDZSFKCBUBHO-VHSXEESVSA-N 1 1 336.348 1.976 20 5 EDBDMO C/C(=C\C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000779311611 580483431 /nfs/dbraw/zinc/48/34/31/580483431.db2.gz TZULXAYETNWCCO-CMPYXILNSA-N 1 1 333.388 1.523 20 5 EDBDMO C/C(=C\C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000779311611 580483432 /nfs/dbraw/zinc/48/34/32/580483432.db2.gz TZULXAYETNWCCO-CMPYXILNSA-N 1 1 333.388 1.523 20 5 EDBDMO CN(C)c1ncc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000780324849 580518622 /nfs/dbraw/zinc/51/86/22/580518622.db2.gz AHGANEVVQCPHEG-HNNXBMFYSA-N 1 1 331.376 1.616 20 5 EDBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000785735533 580651813 /nfs/dbraw/zinc/65/18/13/580651813.db2.gz WBFBCUJKBWUULS-CHWSQXEVSA-N 1 1 349.387 1.974 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785991579 580657740 /nfs/dbraw/zinc/65/77/40/580657740.db2.gz FFCKAUBRVBKXJB-KDOFPFPSSA-N 1 1 349.431 1.813 20 5 EDBDMO O=C(CC[N@H+]1CCc2ccccc2C1)OCCn1ccc([N+](=O)[O-])n1 ZINC000786830770 580680566 /nfs/dbraw/zinc/68/05/66/580680566.db2.gz XVVFJBSNSNPQCI-UHFFFAOYSA-N 1 1 344.371 1.783 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1C ZINC000787419985 580694936 /nfs/dbraw/zinc/69/49/36/580694936.db2.gz BJADDUOWXZVUQC-ZYHUDNBSSA-N 1 1 336.344 1.749 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1C ZINC000787419985 580694937 /nfs/dbraw/zinc/69/49/37/580694937.db2.gz BJADDUOWXZVUQC-ZYHUDNBSSA-N 1 1 336.344 1.749 20 5 EDBDMO C[C@]12CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1C2(Cl)Cl ZINC000792910745 580830645 /nfs/dbraw/zinc/83/06/45/580830645.db2.gz WBWNHWFSIMTIJE-UTUOFQBUSA-N 1 1 349.218 1.668 20 5 EDBDMO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000796579087 580957150 /nfs/dbraw/zinc/95/71/50/580957150.db2.gz CCAJHPIVPKCWJL-CQSZACIVSA-N 1 1 340.767 1.384 20 5 EDBDMO C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000796579087 580957151 /nfs/dbraw/zinc/95/71/51/580957151.db2.gz CCAJHPIVPKCWJL-CQSZACIVSA-N 1 1 340.767 1.384 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000800478014 581053804 /nfs/dbraw/zinc/05/38/04/581053804.db2.gz RUNOKFRBJFQCSZ-MAUKXSAKSA-N 1 1 349.431 1.672 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000892145492 590821621 /nfs/dbraw/zinc/82/16/21/590821621.db2.gz SJBZXPLJLQFCGG-QWHCGFSZSA-N 1 1 346.362 1.979 20 5 EDBDMO COc1ccc(C(=O)OCCC[N@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] 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XGDRPYMEUSEDKJ-UHFFFAOYSA-N 1 1 349.435 1.442 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)[C@@H](C)C1 ZINC000908139441 592349711 /nfs/dbraw/zinc/34/97/11/592349711.db2.gz FBVSTTJIXTVLST-LBPRGKRZSA-N 1 1 349.387 1.922 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)[C@@H](C)C1 ZINC000908139441 592349716 /nfs/dbraw/zinc/34/97/16/592349716.db2.gz FBVSTTJIXTVLST-LBPRGKRZSA-N 1 1 349.387 1.922 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910283910 592820911 /nfs/dbraw/zinc/82/09/11/592820911.db2.gz KALXZZLGXAERCM-ZDUSSCGKSA-N 1 1 349.387 1.729 20 5 EDBDMO C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000803339318 593320792 /nfs/dbraw/zinc/32/07/92/593320792.db2.gz KBANNEFDURHBEG-KRWDZBQOSA-N 1 1 343.387 1.960 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)c1 ZINC000811493202 593472055 /nfs/dbraw/zinc/47/20/55/593472055.db2.gz GELJBXVUVHEJQL-MFKMUULPSA-N 1 1 336.344 1.765 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)c1 ZINC000811493202 593472056 /nfs/dbraw/zinc/47/20/56/593472056.db2.gz GELJBXVUVHEJQL-MFKMUULPSA-N 1 1 336.344 1.765 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000814142937 593575856 /nfs/dbraw/zinc/57/58/56/593575856.db2.gz HRAZIWMNHALGRR-GWCFXTLKSA-N 1 1 325.315 1.849 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820752038 593880787 /nfs/dbraw/zinc/88/07/87/593880787.db2.gz JSUXYZJEUBBZES-PWSUYJOCSA-N 1 1 331.380 1.551 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821051669 593953843 /nfs/dbraw/zinc/95/38/43/593953843.db2.gz FQLMKGKAUGFQFL-YESZJQIVSA-N 1 1 347.415 1.661 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000822038377 593986417 /nfs/dbraw/zinc/98/64/17/593986417.db2.gz TUBSWTMVNKENTB-AWEZNQCLSA-N 1 1 348.447 1.967 20 5 EDBDMO CC(C)(CCC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)[N+](=O)[O-] ZINC000822836552 594109247 /nfs/dbraw/zinc/10/92/47/594109247.db2.gz HRMBHIMJMCEPRC-CQSZACIVSA-N 1 1 327.425 1.535 20 5 EDBDMO O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cn2c(n1)CCCC2 ZINC000823625521 594222713 /nfs/dbraw/zinc/22/27/13/594222713.db2.gz XNQOFRGFXNIKBO-UHFFFAOYSA-N 1 1 341.335 1.315 20 5 EDBDMO C[NH+]1CCN(C2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000827473487 594675576 /nfs/dbraw/zinc/67/55/76/594675576.db2.gz KGJZSGKRYBDANW-UHFFFAOYSA-N 1 1 347.419 1.029 20 5 EDBDMO CN(C)C(=O)N[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832550369 594758463 /nfs/dbraw/zinc/75/84/63/594758463.db2.gz PQVKOZMTFCIXAK-DZGCQCFKSA-N 1 1 336.392 1.364 20 5 EDBDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832550369 594758464 /nfs/dbraw/zinc/75/84/64/594758464.db2.gz PQVKOZMTFCIXAK-DZGCQCFKSA-N 1 1 336.392 1.364 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)n2)c1 ZINC000842626085 595148711 /nfs/dbraw/zinc/14/87/11/595148711.db2.gz NCQLCLUWWFPDOR-HIFRSBDPSA-N 1 1 329.360 1.922 20 5 EDBDMO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000848481320 595390759 /nfs/dbraw/zinc/39/07/59/595390759.db2.gz AVINURFBHRQBAV-AEFFLSMTSA-N 1 1 345.399 1.981 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490273 595394470 /nfs/dbraw/zinc/39/44/70/595394470.db2.gz YITQRSBDYWBDJW-IAGOWNOFSA-N 1 1 346.431 1.894 20 5 EDBDMO O=[N+]([O-])c1ccc2c(cnn2CN2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000853551353 595796406 /nfs/dbraw/zinc/79/64/06/595796406.db2.gz VYDXWAJDGHFMJI-OAHLLOKOSA-N 1 1 331.376 1.309 20 5 EDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1cccc([N+](=O)[O-])c1Cl ZINC000861862429 596128895 /nfs/dbraw/zinc/12/88/95/596128895.db2.gz QRGUPQQQIGNPLN-LLVKDONJSA-N 1 1 341.795 1.825 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1COCCO1 ZINC000852495144 596182093 /nfs/dbraw/zinc/18/20/93/596182093.db2.gz HXODCSMLXNNGLU-GFCCVEGCSA-N 1 1 341.339 1.410 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867815137 596566958 /nfs/dbraw/zinc/56/69/58/596566958.db2.gz XNTHYSJBQSIVRR-TZMCWYRMSA-N 1 1 339.417 1.618 20 5 EDBDMO C[C@]([NH3+])(C(=O)N1CCC[C@@H]2COCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000867966883 596637623 /nfs/dbraw/zinc/63/76/23/596637623.db2.gz VBHIIMNLQGWWBT-ISTRZQFTSA-N 1 1 333.388 1.796 20 5 EDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869814801 596646366 /nfs/dbraw/zinc/64/63/66/596646366.db2.gz GZCRXXIUTXPCBV-UHFFFAOYSA-N 1 1 327.344 1.276 20 5 EDBDMO C[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[N@H+]1CC(C)(C)O ZINC000865710246 596657178 /nfs/dbraw/zinc/65/71/78/596657178.db2.gz NWSJGNABKCMPPP-NSHDSACASA-N 1 1 341.383 1.508 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872278011 596865782 /nfs/dbraw/zinc/86/57/82/596865782.db2.gz DJSTWYJKSKKBEU-GDBMZVCRSA-N 1 1 338.408 1.576 20 5 EDBDMO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000882381279 597951422 /nfs/dbraw/zinc/95/14/22/597951422.db2.gz UPQBNHCUHVZGBK-HZPDHXFCSA-N 1 1 347.415 1.185 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)c([N+](=O)[O-])c1 ZINC000880529053 597956505 /nfs/dbraw/zinc/95/65/05/597956505.db2.gz ISXZMVIQONVIGV-WBMJQRKESA-N 1 1 349.387 1.583 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)c([N+](=O)[O-])c1 ZINC000880529053 597956506 /nfs/dbraw/zinc/95/65/06/597956506.db2.gz ISXZMVIQONVIGV-WBMJQRKESA-N 1 1 349.387 1.583 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCc3ncncc3C2)c2c(c1)COCO2 ZINC000880592952 597975311 /nfs/dbraw/zinc/97/53/11/597975311.db2.gz HYVAPJGUVLTVRK-UHFFFAOYSA-N 1 1 328.328 1.810 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCc3ncncc3C2)c2c(c1)COCO2 ZINC000880592952 597975312 /nfs/dbraw/zinc/97/53/12/597975312.db2.gz HYVAPJGUVLTVRK-UHFFFAOYSA-N 1 1 328.328 1.810 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000882490694 597975891 /nfs/dbraw/zinc/97/58/91/597975891.db2.gz UKKAOMXBYAONGC-GFCCVEGCSA-N 1 1 329.360 1.605 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H](O)C1CC1 ZINC000128855490 598096276 /nfs/dbraw/zinc/09/62/76/598096276.db2.gz AJSOFOBUIXVROM-AWEZNQCLSA-N 1 1 325.340 1.765 20 5 EDBDMO Cc1cc(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)nn1C ZINC001031568720 697262296 /nfs/dbraw/zinc/26/22/96/697262296.db2.gz MDBLPPLUFLMSEY-UHFFFAOYSA-N 1 1 343.387 1.499 20 5 EDBDMO Cc1nc(C)c(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001005382839 708816898 /nfs/dbraw/zinc/81/68/98/708816898.db2.gz QXGMOEBYZUFTRN-ZIAGYGMSSA-N 1 1 336.392 1.379 20 5 EDBDMO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1cncnc1 ZINC001002652607 709228787 /nfs/dbraw/zinc/22/87/87/709228787.db2.gz NRJVGVFZCLQOHD-UHFFFAOYSA-N 1 1 341.371 1.779 20 5 EDBDMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000054942618 214261138 /nfs/dbraw/zinc/26/11/38/214261138.db2.gz ULRWPYXKAPDKBU-UHFFFAOYSA-N 1 1 334.376 1.396 20 5 EDBDMO CNC(=O)CCC[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000155017477 529851900 /nfs/dbraw/zinc/85/19/00/529851900.db2.gz GIITYHHPJPAPGG-UHFFFAOYSA-N 1 1 325.365 1.440 20 5 EDBDMO CC[N@@H+](CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000102479568 219207554 /nfs/dbraw/zinc/20/75/54/219207554.db2.gz YGEGRHQFDLRCBL-UHFFFAOYSA-N 1 1 339.392 1.829 20 5 EDBDMO O=[N+]([O-])c1cnc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000413055040 304053137 /nfs/dbraw/zinc/05/31/37/304053137.db2.gz SGHIYUVYRVZWLR-HNNXBMFYSA-N 1 1 346.362 1.960 20 5 EDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413833254 304079436 /nfs/dbraw/zinc/07/94/36/304079436.db2.gz KGNAUYMLKBCDJF-VJUNAUMWSA-N 1 1 347.415 1.612 20 5 EDBDMO COc1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000129479084 223060096 /nfs/dbraw/zinc/06/00/96/223060096.db2.gz DTHXPYMYPBQNDW-HNNXBMFYSA-N 1 1 335.404 1.758 20 5 EDBDMO COc1ccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000129479084 223060098 /nfs/dbraw/zinc/06/00/98/223060098.db2.gz DTHXPYMYPBQNDW-HNNXBMFYSA-N 1 1 335.404 1.758 20 5 EDBDMO CCN1CCN(CC(C)(C)NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000565583149 306386937 /nfs/dbraw/zinc/38/69/37/306386937.db2.gz AHZVAYYWNAMTEA-UHFFFAOYSA-N 1 1 335.408 1.136 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H]1CO ZINC000190446668 138891277 /nfs/dbraw/zinc/89/12/77/138891277.db2.gz SSTVLNOKBLLKJA-SMDDNHRTSA-N 1 1 337.376 1.635 20 5 EDBDMO O=[N+]([O-])c1cccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414989711 304148837 /nfs/dbraw/zinc/14/88/37/304148837.db2.gz QWAPQFDYZUHYCY-CYBMUJFWSA-N 1 1 332.326 1.521 20 5 EDBDMO C[C@H]([C@H](C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000078510697 217065962 /nfs/dbraw/zinc/06/59/62/217065962.db2.gz UHDNKTIHSXYTBZ-JYASZMECSA-N 1 1 333.388 1.833 20 5 EDBDMO Cc1c(C(=O)NC[C@H]2CC[N@H+](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000110652113 220052393 /nfs/dbraw/zinc/05/23/93/220052393.db2.gz IYBYMGFOOGMYEH-GFCCVEGCSA-N 1 1 344.375 1.165 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000111220714 220113837 /nfs/dbraw/zinc/11/38/37/220113837.db2.gz JBFIMAGUNUYUPC-NWDGAFQWSA-N 1 1 334.376 1.428 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000111220714 220113839 /nfs/dbraw/zinc/11/38/39/220113839.db2.gz JBFIMAGUNUYUPC-NWDGAFQWSA-N 1 1 334.376 1.428 20 5 EDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080944074 217343545 /nfs/dbraw/zinc/34/35/45/217343545.db2.gz KOSPIBAEJACDPT-ZGRWHYIRSA-N 1 1 345.399 1.931 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000245381210 139071227 /nfs/dbraw/zinc/07/12/27/139071227.db2.gz AWSSRHIXFIAZCW-RYUDHWBXSA-N 1 1 342.421 1.161 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245431269 139074283 /nfs/dbraw/zinc/07/42/83/139074283.db2.gz MUSJNBIDMZEFRP-OLZOCXBDSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245431269 139074284 /nfs/dbraw/zinc/07/42/84/139074284.db2.gz MUSJNBIDMZEFRP-OLZOCXBDSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093821046 218252069 /nfs/dbraw/zinc/25/20/69/218252069.db2.gz GAFMRZSEOZAVMW-INIZCTEOSA-N 1 1 346.431 1.642 20 5 EDBDMO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000423514458 252057554 /nfs/dbraw/zinc/05/75/54/252057554.db2.gz SGCPAGARVYWCEQ-QWHCGFSZSA-N 1 1 345.359 1.202 20 5 EDBDMO NC(=O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000112351229 220309208 /nfs/dbraw/zinc/30/92/08/220309208.db2.gz DAIDBSICXMTHDX-UHFFFAOYSA-N 1 1 329.356 1.961 20 5 EDBDMO NC(=O)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000112351229 220309212 /nfs/dbraw/zinc/30/92/12/220309212.db2.gz DAIDBSICXMTHDX-UHFFFAOYSA-N 1 1 329.356 1.961 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000152849430 533138653 /nfs/dbraw/zinc/13/86/53/533138653.db2.gz TYHUDUGZEXGIIZ-NEPJUHHUSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000152849430 533138657 /nfs/dbraw/zinc/13/86/57/533138657.db2.gz TYHUDUGZEXGIIZ-NEPJUHHUSA-N 1 1 337.376 1.777 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000415788255 304271230 /nfs/dbraw/zinc/27/12/30/304271230.db2.gz RMPVOBAJBPGASP-OAHLLOKOSA-N 1 1 338.339 1.002 20 5 EDBDMO CN(CCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000496331787 255382277 /nfs/dbraw/zinc/38/22/77/255382277.db2.gz SGNRSFZRBCATRA-UHFFFAOYSA-N 1 1 341.412 1.980 20 5 EDBDMO COc1cc(C(=O)NCCC[NH+]2CCOCC2)cc([N+](=O)[O-])c1C ZINC000190315931 533532124 /nfs/dbraw/zinc/53/21/24/533532124.db2.gz KZHOSMHTVDPDRR-UHFFFAOYSA-N 1 1 337.376 1.364 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1 ZINC000450796524 292017912 /nfs/dbraw/zinc/01/79/12/292017912.db2.gz 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COc1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000429556910 305032143 /nfs/dbraw/zinc/03/21/43/305032143.db2.gz ZMTONGXEZAHHSC-LLVKDONJSA-N 1 1 338.364 1.134 20 5 EDBDMO COc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000429556910 305032144 /nfs/dbraw/zinc/03/21/44/305032144.db2.gz ZMTONGXEZAHHSC-LLVKDONJSA-N 1 1 338.364 1.134 20 5 EDBDMO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000429788777 305037157 /nfs/dbraw/zinc/03/71/57/305037157.db2.gz QQOHPUFVCAKZOJ-CHWSQXEVSA-N 1 1 345.359 1.649 20 5 EDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000436482616 305158583 /nfs/dbraw/zinc/15/85/83/305158583.db2.gz IKGFUEPDCDPAEX-HOCLYGCPSA-N 1 1 337.420 1.607 20 5 EDBDMO CC(C)[C@@H]1CN(C)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000436482616 305158584 /nfs/dbraw/zinc/15/85/84/305158584.db2.gz IKGFUEPDCDPAEX-HOCLYGCPSA-N 1 1 337.420 1.607 20 5 EDBDMO CC(C)[C@@H]1CN(C)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000436482616 305158585 /nfs/dbraw/zinc/15/85/85/305158585.db2.gz IKGFUEPDCDPAEX-HOCLYGCPSA-N 1 1 337.420 1.607 20 5 EDBDMO O=[N+]([O-])c1c(NC[C@@H]2CCCC[N@@H+]2CCO)nc2sccn21 ZINC000450610155 305330796 /nfs/dbraw/zinc/33/07/96/305330796.db2.gz GPPDMNWOXVZDJS-JTQLQIEISA-N 1 1 325.394 1.563 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451555760 305353385 /nfs/dbraw/zinc/35/33/85/305353385.db2.gz CDAYKDBRXXLUNN-ABAIWWIYSA-N 1 1 337.376 1.899 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451555760 305353386 /nfs/dbraw/zinc/35/33/86/305353386.db2.gz CDAYKDBRXXLUNN-ABAIWWIYSA-N 1 1 337.376 1.899 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000451637633 305358213 /nfs/dbraw/zinc/35/82/13/305358213.db2.gz XWRSXODTBJORMS-YGRLFVJLSA-N 1 1 338.795 1.823 20 5 EDBDMO CCOc1cc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451668889 305360948 /nfs/dbraw/zinc/36/09/48/305360948.db2.gz XCYRIAKIZCKOTJ-OKILXGFUSA-N 1 1 337.420 1.880 20 5 EDBDMO CN(C(=O)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000452118427 305383873 /nfs/dbraw/zinc/38/38/73/305383873.db2.gz PAXFNNVXFNHRAX-CABCVRRESA-N 1 1 333.388 1.914 20 5 EDBDMO CN(C(=O)C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000452118427 305383874 /nfs/dbraw/zinc/38/38/74/305383874.db2.gz PAXFNNVXFNHRAX-CABCVRRESA-N 1 1 333.388 1.914 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000452132389 305384722 /nfs/dbraw/zinc/38/47/22/305384722.db2.gz QNALWPUMNFQTLL-CYBMUJFWSA-N 1 1 346.387 1.748 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnn4ccccc34)CC2)cn1 ZINC000534336999 306006080 /nfs/dbraw/zinc/00/60/80/306006080.db2.gz WZIUCYVUNAIJRC-UHFFFAOYSA-N 1 1 338.371 1.960 20 5 EDBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000534579632 306008078 /nfs/dbraw/zinc/00/80/78/306008078.db2.gz YQVIVZAOZGHPIR-CYBMUJFWSA-N 1 1 329.360 1.417 20 5 EDBDMO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000070076722 441110095 /nfs/dbraw/zinc/11/00/95/441110095.db2.gz PVRGWLMEFVHDJM-DTORHVGOSA-N 1 1 333.797 1.619 20 5 EDBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000057720789 441131372 /nfs/dbraw/zinc/13/13/72/441131372.db2.gz GDUNUXWMOUDKKB-VXGBXAGGSA-N 1 1 348.403 1.312 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000015164125 441196887 /nfs/dbraw/zinc/19/68/87/441196887.db2.gz SKJLOHOXGYGVQW-JTQLQIEISA-N 1 1 328.394 1.138 20 5 EDBDMO C[N@H+](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000104755285 441204986 /nfs/dbraw/zinc/20/49/86/441204986.db2.gz BEIDURVUUHHAHK-UHFFFAOYSA-N 1 1 345.396 1.887 20 5 EDBDMO C[N@@H+](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000104755285 441204990 /nfs/dbraw/zinc/20/49/90/441204990.db2.gz BEIDURVUUHHAHK-UHFFFAOYSA-N 1 1 345.396 1.887 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000061605259 441281130 /nfs/dbraw/zinc/28/11/30/441281130.db2.gz ZUPYFMGLDFMOKF-UHFFFAOYSA-N 1 1 332.404 1.971 20 5 EDBDMO O=C(CC[NH+]1CCN(C(=O)C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000024595876 441314763 /nfs/dbraw/zinc/31/47/63/441314763.db2.gz GDZSLEDQLCKVCJ-UHFFFAOYSA-N 1 1 346.387 1.478 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000106865154 441380521 /nfs/dbraw/zinc/38/05/21/441380521.db2.gz UIPCMUWQDIXTBM-BXUZGUMPSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000106865154 441380523 /nfs/dbraw/zinc/38/05/23/441380523.db2.gz UIPCMUWQDIXTBM-BXUZGUMPSA-N 1 1 337.376 1.777 20 5 EDBDMO CC(=O)NCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000052848598 441479369 /nfs/dbraw/zinc/47/93/69/441479369.db2.gz SZCJQLAYNQHZES-LBPRGKRZSA-N 1 1 348.403 1.770 20 5 EDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067136888 441609203 /nfs/dbraw/zinc/60/92/03/441609203.db2.gz AXOBFQSGGWOCPB-UHFFFAOYSA-N 1 1 346.391 1.636 20 5 EDBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(C)C ZINC000067173266 441614665 /nfs/dbraw/zinc/61/46/65/441614665.db2.gz OQXICADRUICKEU-UHFFFAOYSA-N 1 1 337.376 1.826 20 5 EDBDMO Cc1cc(C(=O)NCC2CCN(CC[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000114380993 441650642 /nfs/dbraw/zinc/65/06/42/441650642.db2.gz BPEMSLMVFMHMJH-UHFFFAOYSA-N 1 1 348.447 1.907 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000076776106 441684695 /nfs/dbraw/zinc/68/46/95/441684695.db2.gz PXSMTCUXJGNKTG-LLVKDONJSA-N 1 1 342.421 1.529 20 5 EDBDMO Cc1c(CC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000121472351 441712023 /nfs/dbraw/zinc/71/20/23/441712023.db2.gz FEKWUWGRRHZSBG-CYBMUJFWSA-N 1 1 334.420 1.198 20 5 EDBDMO Nc1nc(NCCC[N@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000076675860 441674889 /nfs/dbraw/zinc/67/48/89/441674889.db2.gz AVTGTNYANIROCE-UHFFFAOYSA-N 1 1 328.376 1.827 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC(N)=O)CC1 ZINC000077168389 441726617 /nfs/dbraw/zinc/72/66/17/441726617.db2.gz DTPPMSCRYUQWLB-LLVKDONJSA-N 1 1 334.376 1.509 20 5 EDBDMO C[C@H]1C[N@H+](C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000173626155 441807574 /nfs/dbraw/zinc/80/75/74/441807574.db2.gz BTVRCJADGSEJKH-AWEZNQCLSA-N 1 1 347.415 1.849 20 5 EDBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000174360020 441916670 /nfs/dbraw/zinc/91/66/70/441916670.db2.gz MHXRZNDEEUTCBF-CYBMUJFWSA-N 1 1 349.387 1.233 20 5 EDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000160800536 441923109 /nfs/dbraw/zinc/92/31/09/441923109.db2.gz LLIAYANMNBDJLW-BMIGLBTASA-N 1 1 337.376 1.633 20 5 EDBDMO NC(=O)CC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000124895592 441963372 /nfs/dbraw/zinc/96/33/72/441963372.db2.gz LROFWXWXIILIPT-UHFFFAOYSA-N 1 1 346.387 1.071 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000069528965 441964681 /nfs/dbraw/zinc/96/46/81/441964681.db2.gz APDZHIIYVOQFEW-CYBMUJFWSA-N 1 1 337.376 1.201 20 5 EDBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000120071621 442002601 /nfs/dbraw/zinc/00/26/01/442002601.db2.gz DPCBFHPBUIUSHS-NSHDSACASA-N 1 1 325.369 1.390 20 5 EDBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000120071621 442002608 /nfs/dbraw/zinc/00/26/08/442002608.db2.gz DPCBFHPBUIUSHS-NSHDSACASA-N 1 1 325.369 1.390 20 5 EDBDMO O=C1CC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]2N1C1CC1 ZINC000125336819 442011789 /nfs/dbraw/zinc/01/17/89/442011789.db2.gz UNIAKQGQDCMDLA-IUODEOHRSA-N 1 1 333.392 1.267 20 5 EDBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000079279363 442034877 /nfs/dbraw/zinc/03/48/77/442034877.db2.gz LZVLUWINVOPPIS-UHFFFAOYSA-N 1 1 338.389 1.609 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000175317541 442040036 /nfs/dbraw/zinc/04/00/36/442040036.db2.gz KGFLRVCISQFIKV-NSHDSACASA-N 1 1 336.348 1.883 20 5 EDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175360577 442047918 /nfs/dbraw/zinc/04/79/18/442047918.db2.gz HZZADVRABQTFDO-UHFFFAOYSA-N 1 1 329.422 1.913 20 5 EDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126610878 442126397 /nfs/dbraw/zinc/12/63/97/442126397.db2.gz MZIXIQAVGKEUBS-CJNGLKHVSA-N 1 1 347.419 1.657 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000151851418 442129613 /nfs/dbraw/zinc/12/96/13/442129613.db2.gz KHAJFQBGDGYITK-YPMHNXCESA-N 1 1 346.387 1.583 20 5 EDBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)C[S@@](C)=O)c([N+](=O)[O-])c1 ZINC000126328735 442100329 /nfs/dbraw/zinc/10/03/29/442100329.db2.gz GCFPBHVZHHBYSB-SAHAZLINSA-N 1 1 330.406 1.681 20 5 EDBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176204936 442190414 /nfs/dbraw/zinc/19/04/14/442190414.db2.gz VPIKLYQOHRFQPF-ZDUSSCGKSA-N 1 1 333.348 1.165 20 5 EDBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176204936 442190418 /nfs/dbraw/zinc/19/04/18/442190418.db2.gz VPIKLYQOHRFQPF-ZDUSSCGKSA-N 1 1 333.348 1.165 20 5 EDBDMO C[N@@H+](CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[C@H]1CCSC1 ZINC000128213386 442252472 /nfs/dbraw/zinc/25/24/72/442252472.db2.gz ZIGIQVPMXQUQAP-ZDUSSCGKSA-N 1 1 335.429 1.917 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000177438940 442341798 /nfs/dbraw/zinc/34/17/98/442341798.db2.gz GDUWRSGTWKWPJZ-RHSMWYFYSA-N 1 1 347.371 1.585 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000177438940 442341800 /nfs/dbraw/zinc/34/18/00/442341800.db2.gz GDUWRSGTWKWPJZ-RHSMWYFYSA-N 1 1 347.371 1.585 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)O ZINC000177726602 442376652 /nfs/dbraw/zinc/37/66/52/442376652.db2.gz LAESCUCJXLAVFP-JTQLQIEISA-N 1 1 325.365 1.633 20 5 EDBDMO Cc1c(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000178558542 442443957 /nfs/dbraw/zinc/44/39/57/442443957.db2.gz DRXHULSKMLLWPC-MRXNPFEDSA-N 1 1 349.431 1.919 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192525283 442658081 /nfs/dbraw/zinc/65/80/81/442658081.db2.gz RROXXUQVUXWRCP-LBPRGKRZSA-N 1 1 337.376 1.444 20 5 EDBDMO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)N1 ZINC000192670030 442675030 /nfs/dbraw/zinc/67/50/30/442675030.db2.gz BCXOYBFPXYNQOS-AWEZNQCLSA-N 1 1 338.751 1.422 20 5 EDBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)N1 ZINC000192670030 442675033 /nfs/dbraw/zinc/67/50/33/442675033.db2.gz BCXOYBFPXYNQOS-AWEZNQCLSA-N 1 1 338.751 1.422 20 5 EDBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000192919342 442698398 /nfs/dbraw/zinc/69/83/98/442698398.db2.gz MNLGMRFQTDWDAV-PHIMTYICSA-N 1 1 343.380 1.224 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000192536358 442660151 /nfs/dbraw/zinc/66/01/51/442660151.db2.gz MBUQEKPOUCRXHY-OKILXGFUSA-N 1 1 347.371 1.405 20 5 EDBDMO O=C1NC(=O)[C@]2(CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)N1 ZINC000193463998 442745307 /nfs/dbraw/zinc/74/53/07/442745307.db2.gz VJEJJSZDIUBVMF-WUTVXBCWSA-N 1 1 330.344 1.282 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000193804683 442789632 /nfs/dbraw/zinc/78/96/32/442789632.db2.gz GNSAIABGMDPKFU-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000188607911 442767851 /nfs/dbraw/zinc/76/78/51/442767851.db2.gz XACCUTKQUWQUBA-ZDUSSCGKSA-N 1 1 335.404 1.441 20 5 EDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)Cc1ccccc1 ZINC000193704799 442770611 /nfs/dbraw/zinc/77/06/11/442770611.db2.gz MSVXLTNLGMQHGM-UHFFFAOYSA-N 1 1 330.344 1.557 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268128504 442860240 /nfs/dbraw/zinc/86/02/40/442860240.db2.gz DVSZEURPMIRQJA-XHDPSFHLSA-N 1 1 339.417 1.497 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183195730 442900829 /nfs/dbraw/zinc/90/08/29/442900829.db2.gz IXPQXKTUHQVMIR-NEPJUHHUSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000268248203 442917421 /nfs/dbraw/zinc/91/74/21/442917421.db2.gz WLWIALCUSIZSHQ-YGRLFVJLSA-N 1 1 337.351 1.712 20 5 EDBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000268401264 442976298 /nfs/dbraw/zinc/97/62/98/442976298.db2.gz PYCLZOLWNXLYQU-UHFFFAOYSA-N 1 1 349.391 1.223 20 5 EDBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000189555915 442978177 /nfs/dbraw/zinc/97/81/77/442978177.db2.gz CAESEDRWAXNQOQ-LBPRGKRZSA-N 1 1 344.371 1.946 20 5 EDBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000184180289 442999673 /nfs/dbraw/zinc/99/96/73/442999673.db2.gz DLWFUWZHWGFBJH-UHFFFAOYSA-N 1 1 334.420 1.741 20 5 EDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184254951 443006188 /nfs/dbraw/zinc/00/61/88/443006188.db2.gz TWVXJUUOWWAUGN-ZDUSSCGKSA-N 1 1 327.406 1.499 20 5 EDBDMO COc1cc(CN2CC[N@@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000190249999 443076516 /nfs/dbraw/zinc/07/65/16/443076516.db2.gz DFIFFWNHVFSRFM-GFCCVEGCSA-N 1 1 339.392 1.110 20 5 EDBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000268816956 443117934 /nfs/dbraw/zinc/11/79/34/443117934.db2.gz WCRQFZUCILVWHA-SKDRFNHKSA-N 1 1 343.380 1.495 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000268816956 443117938 /nfs/dbraw/zinc/11/79/38/443117938.db2.gz WCRQFZUCILVWHA-SKDRFNHKSA-N 1 1 343.380 1.495 20 5 EDBDMO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccnc1 ZINC000191244268 443265017 /nfs/dbraw/zinc/26/50/17/443265017.db2.gz GSGMWOJGJUKDIT-UHFFFAOYSA-N 1 1 332.360 1.300 20 5 EDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccnc1 ZINC000191244268 443265023 /nfs/dbraw/zinc/26/50/23/443265023.db2.gz GSGMWOJGJUKDIT-UHFFFAOYSA-N 1 1 332.360 1.300 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000267197065 443374393 /nfs/dbraw/zinc/37/43/93/443374393.db2.gz FBTVPOQLTGRPBT-NSHDSACASA-N 1 1 342.421 1.020 20 5 EDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000269615639 443365506 /nfs/dbraw/zinc/36/55/06/443365506.db2.gz SCLIARPDXUQDQD-NWDGAFQWSA-N 1 1 335.408 1.998 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000269615639 443365511 /nfs/dbraw/zinc/36/55/11/443365511.db2.gz SCLIARPDXUQDQD-NWDGAFQWSA-N 1 1 335.408 1.998 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000269615639 443365516 /nfs/dbraw/zinc/36/55/16/443365516.db2.gz SCLIARPDXUQDQD-NWDGAFQWSA-N 1 1 335.408 1.998 20 5 EDBDMO Cc1c[nH+]ccc1OC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000278582973 443368550 /nfs/dbraw/zinc/36/85/50/443368550.db2.gz YIHPMVCZAHXZQU-UHFFFAOYSA-N 1 1 330.348 1.718 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272888331 443479505 /nfs/dbraw/zinc/47/95/05/443479505.db2.gz IXXNWDWLWMHVHB-LLVKDONJSA-N 1 1 342.421 1.020 20 5 EDBDMO Cn1ccnc1[C@H]([NH2+]CCCOCCO)c1ccc([N+](=O)[O-])cc1 ZINC000272831070 443460236 /nfs/dbraw/zinc/46/02/36/443460236.db2.gz OQZKNPVAFBISEY-OAHLLOKOSA-N 1 1 334.376 1.406 20 5 EDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000423675031 319800984 /nfs/dbraw/zinc/80/09/84/319800984.db2.gz DRHLXAWLWMFGJD-INIZCTEOSA-N 1 1 332.335 1.917 20 5 EDBDMO COc1ccc(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000265096090 443531864 /nfs/dbraw/zinc/53/18/64/443531864.db2.gz RRGICCWUNAPMAO-OCCSQVGLSA-N 1 1 348.403 1.982 20 5 EDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275606056 443633644 /nfs/dbraw/zinc/63/36/44/443633644.db2.gz SSINSAHTOXTNGW-NSHDSACASA-N 1 1 338.364 1.784 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276156931 443657406 /nfs/dbraw/zinc/65/74/06/443657406.db2.gz FKSODNSKKRDAKS-GFCCVEGCSA-N 1 1 341.433 1.776 20 5 EDBDMO CC(C)(CN1CCCC1)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452097608 320241327 /nfs/dbraw/zinc/24/13/27/320241327.db2.gz REIFDNXCZHXEOA-UHFFFAOYSA-N 1 1 346.431 1.948 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000457089865 320319208 /nfs/dbraw/zinc/31/92/08/320319208.db2.gz LQJHDVASIIITLE-GFCCVEGCSA-N 1 1 335.360 1.878 20 5 EDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000493661683 320396921 /nfs/dbraw/zinc/39/69/21/320396921.db2.gz OOELFJDOQGPTNS-KXPUMZMLSA-N 1 1 333.388 1.571 20 5 EDBDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C(N)=O ZINC000286334441 443692454 /nfs/dbraw/zinc/69/24/54/443692454.db2.gz WQOUOGLDLNUUKB-PSASIEDQSA-N 1 1 340.767 1.240 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C(N)=O ZINC000286334441 443692457 /nfs/dbraw/zinc/69/24/57/443692457.db2.gz WQOUOGLDLNUUKB-PSASIEDQSA-N 1 1 340.767 1.240 20 5 EDBDMO C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000298498988 443784344 /nfs/dbraw/zinc/78/43/44/443784344.db2.gz LVQBNMYFUOXTOC-CHWSQXEVSA-N 1 1 341.433 1.994 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288420221 443875434 /nfs/dbraw/zinc/87/54/34/443875434.db2.gz MCSFTKOSYAFZOQ-SECBINFHSA-N 1 1 335.389 1.766 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288420221 443875436 /nfs/dbraw/zinc/87/54/36/443875436.db2.gz MCSFTKOSYAFZOQ-SECBINFHSA-N 1 1 335.389 1.766 20 5 EDBDMO Cc1cc(OCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000281551849 443941452 /nfs/dbraw/zinc/94/14/52/443941452.db2.gz XSJRIVKLXKHVFV-ZIAGYGMSSA-N 1 1 333.388 1.977 20 5 EDBDMO COc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000298921655 443903094 /nfs/dbraw/zinc/90/30/94/443903094.db2.gz IQAGGBXOCQYPJH-ZDUSSCGKSA-N 1 1 348.403 1.887 20 5 EDBDMO COCCOCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000289020983 444035803 /nfs/dbraw/zinc/03/58/03/444035803.db2.gz OAFUNYBFQWFTQO-UHFFFAOYSA-N 1 1 339.392 1.827 20 5 EDBDMO C[N@@H+](CCOCCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000281909498 444037133 /nfs/dbraw/zinc/03/71/33/444037133.db2.gz ATNLEXUSBQZRCG-UHFFFAOYSA-N 1 1 335.360 1.733 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293550163 444051174 /nfs/dbraw/zinc/05/11/74/444051174.db2.gz DXFXIRMGNVTOMF-INIZCTEOSA-N 1 1 331.376 1.824 20 5 EDBDMO O=C(CC[N@H+](CCO)C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000282118211 444090664 /nfs/dbraw/zinc/09/06/64/444090664.db2.gz QLFLRYXHWACESV-UHFFFAOYSA-N 1 1 337.376 1.397 20 5 EDBDMO CNc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000568739724 321303829 /nfs/dbraw/zinc/30/38/29/321303829.db2.gz GNJLAQSMYYEQEP-MRXNPFEDSA-N 1 1 341.371 1.818 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)n1 ZINC000285802630 444112037 /nfs/dbraw/zinc/11/20/37/444112037.db2.gz QIQHGGDHNXGMBU-AWEZNQCLSA-N 1 1 343.387 1.327 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)n1 ZINC000285802630 444112040 /nfs/dbraw/zinc/11/20/40/444112040.db2.gz QIQHGGDHNXGMBU-AWEZNQCLSA-N 1 1 343.387 1.327 20 5 EDBDMO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000278354295 444145321 /nfs/dbraw/zinc/14/53/21/444145321.db2.gz QRZHOGZVLZPESM-SWLSCSKDSA-N 1 1 342.367 1.580 20 5 EDBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000278354295 444145324 /nfs/dbraw/zinc/14/53/24/444145324.db2.gz QRZHOGZVLZPESM-SWLSCSKDSA-N 1 1 342.367 1.580 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000299708707 444121504 /nfs/dbraw/zinc/12/15/04/444121504.db2.gz PYRXPUSWYRZCBZ-GXTWGEPZSA-N 1 1 348.403 1.783 20 5 EDBDMO C[N@@H+](CCOCCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282249091 444126352 /nfs/dbraw/zinc/12/63/52/444126352.db2.gz AZUXJTSGKGQYCM-UHFFFAOYSA-N 1 1 333.182 1.798 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CN(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301485370 444174487 /nfs/dbraw/zinc/17/44/87/444174487.db2.gz WOCRAKMVGHOWBD-LBPRGKRZSA-N 1 1 331.376 1.523 20 5 EDBDMO COC(=O)c1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc(C)c1[N+](=O)[O-] ZINC000301742889 444188511 /nfs/dbraw/zinc/18/85/11/444188511.db2.gz FRZBKIPMUWXJQP-FZMZJTMJSA-N 1 1 337.376 1.821 20 5 EDBDMO COC(=O)c1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc(C)c1[N+](=O)[O-] ZINC000301742889 444188512 /nfs/dbraw/zinc/18/85/12/444188512.db2.gz FRZBKIPMUWXJQP-FZMZJTMJSA-N 1 1 337.376 1.821 20 5 EDBDMO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2COC[C@@H]21 ZINC000580755699 322090701 /nfs/dbraw/zinc/09/07/01/322090701.db2.gz FFIHNCFFNMHDOF-GOEBONIOSA-N 1 1 345.399 1.841 20 5 EDBDMO CC1(C)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2COC[C@@H]21 ZINC000580755699 322090703 /nfs/dbraw/zinc/09/07/03/322090703.db2.gz FFIHNCFFNMHDOF-GOEBONIOSA-N 1 1 345.399 1.841 20 5 EDBDMO O=C([C@H]1CCC[N@H+]1C1CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000580929108 322112715 /nfs/dbraw/zinc/11/27/15/322112715.db2.gz DRWCBLWDVIWAPC-IUODEOHRSA-N 1 1 345.403 1.629 20 5 EDBDMO Cn1cc([C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2(C)C)cn1 ZINC000581109969 322136181 /nfs/dbraw/zinc/13/61/81/322136181.db2.gz AFXOZGPSSRYSGI-GJZGRUSLSA-N 1 1 348.407 1.011 20 5 EDBDMO COC(=O)c1cc(C)nc(N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000342198602 444559697 /nfs/dbraw/zinc/55/96/97/444559697.db2.gz HHDUNUFUVXSSCI-GFCCVEGCSA-N 1 1 334.376 1.758 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000340862015 444548807 /nfs/dbraw/zinc/54/88/07/444548807.db2.gz FLDOFMPAJXCWJC-NSHDSACASA-N 1 1 325.413 1.401 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000342244756 444585854 /nfs/dbraw/zinc/58/58/54/444585854.db2.gz GMSZIYAKAOHJDG-CQSZACIVSA-N 1 1 348.403 1.315 20 5 EDBDMO CC[N@@H+](CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000338453148 444702792 /nfs/dbraw/zinc/70/27/92/444702792.db2.gz FYVRQQDBNVGGSQ-UHFFFAOYSA-N 1 1 343.387 1.995 20 5 EDBDMO COc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000342422113 444685989 /nfs/dbraw/zinc/68/59/89/444685989.db2.gz SJGIRCVHWZCABS-MWLCHTKSSA-N 1 1 344.389 1.135 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343961312 444695798 /nfs/dbraw/zinc/69/57/98/444695798.db2.gz BBJKEMVDANGJQA-CMPLNLGQSA-N 1 1 343.405 1.364 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000343961312 444695799 /nfs/dbraw/zinc/69/57/99/444695799.db2.gz BBJKEMVDANGJQA-CMPLNLGQSA-N 1 1 343.405 1.364 20 5 EDBDMO Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000338871434 444904661 /nfs/dbraw/zinc/90/46/61/444904661.db2.gz DRAHWZIIDOHYKP-UHFFFAOYSA-N 1 1 349.322 1.384 20 5 EDBDMO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330426628 444976617 /nfs/dbraw/zinc/97/66/17/444976617.db2.gz SWOPIAKJJZURIR-CYBMUJFWSA-N 1 1 341.433 1.913 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@H+](CCO)[C@H](C)C1 ZINC000343035702 445020146 /nfs/dbraw/zinc/02/01/46/445020146.db2.gz TWNUABBHSLQGQC-GFCCVEGCSA-N 1 1 337.376 1.193 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000343035702 445020152 /nfs/dbraw/zinc/02/01/52/445020152.db2.gz TWNUABBHSLQGQC-GFCCVEGCSA-N 1 1 337.376 1.193 20 5 EDBDMO COCCN1C(=O)N[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CC[C@H]21 ZINC000344597206 445080179 /nfs/dbraw/zinc/08/01/79/445080179.db2.gz XQSRAOJXZMCALK-JKSUJKDBSA-N 1 1 348.403 1.518 20 5 EDBDMO COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C(C)C)ccc1[N+](=O)[O-] ZINC000345604496 445193103 /nfs/dbraw/zinc/19/31/03/445193103.db2.gz VYPXVWOQJFLYRH-ZIAGYGMSSA-N 1 1 348.403 1.980 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C(C)C)ccc1[N+](=O)[O-] ZINC000345604496 445193106 /nfs/dbraw/zinc/19/31/06/445193106.db2.gz VYPXVWOQJFLYRH-ZIAGYGMSSA-N 1 1 348.403 1.980 20 5 EDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346224505 445208845 /nfs/dbraw/zinc/20/88/45/445208845.db2.gz NWKUNOOZBJQGQO-SLEUVZQESA-N 1 1 332.404 1.979 20 5 EDBDMO CC(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000343507993 445235798 /nfs/dbraw/zinc/23/57/98/445235798.db2.gz IBUQUXDCADWCDB-GFCCVEGCSA-N 1 1 330.406 1.460 20 5 EDBDMO CC(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000343507993 445235799 /nfs/dbraw/zinc/23/57/99/445235799.db2.gz IBUQUXDCADWCDB-GFCCVEGCSA-N 1 1 330.406 1.460 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1C[C@H](F)CN1c1ccncn1 ZINC000348183656 445308759 /nfs/dbraw/zinc/30/87/59/445308759.db2.gz SXWGWRXBPQSHLB-QWHCGFSZSA-N 1 1 349.370 1.130 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000354513575 445272730 /nfs/dbraw/zinc/27/27/30/445272730.db2.gz RQEKXPFYEFCVQA-LBPRGKRZSA-N 1 1 327.406 1.618 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000354513575 445272734 /nfs/dbraw/zinc/27/27/34/445272734.db2.gz RQEKXPFYEFCVQA-LBPRGKRZSA-N 1 1 327.406 1.618 20 5 EDBDMO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000351888906 445356668 /nfs/dbraw/zinc/35/66/68/445356668.db2.gz RMBBOCNZLDDXDX-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO CC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000351888906 445356671 /nfs/dbraw/zinc/35/66/71/445356671.db2.gz RMBBOCNZLDDXDX-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362594278 445454850 /nfs/dbraw/zinc/45/48/50/445454850.db2.gz ZWHQQSFUXNGRTM-JTQLQIEISA-N 1 1 327.331 1.874 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000349419373 445583064 /nfs/dbraw/zinc/58/30/64/445583064.db2.gz PINBSJNFEBLPQE-FZMZJTMJSA-N 1 1 338.360 1.349 20 5 EDBDMO CC(C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[NH+]1CCOCC1 ZINC000357326497 445549707 /nfs/dbraw/zinc/54/97/07/445549707.db2.gz YJGMNQCOTKJMBX-OAHLLOKOSA-N 1 1 345.403 2.307 20 5 EDBDMO NC(=O)c1ccnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000357328135 445549832 /nfs/dbraw/zinc/54/98/32/445549832.db2.gz WMTFOJKMGAOSPF-ZDUSSCGKSA-N 1 1 341.371 1.775 20 5 EDBDMO CN(C)c1ncc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000353727368 445727211 /nfs/dbraw/zinc/72/72/11/445727211.db2.gz ZDRDSDSXTPJBOE-CYBMUJFWSA-N 1 1 343.391 1.532 20 5 EDBDMO CN(C)c1ncc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000353727368 445727214 /nfs/dbraw/zinc/72/72/14/445727214.db2.gz ZDRDSDSXTPJBOE-CYBMUJFWSA-N 1 1 343.391 1.532 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000356368613 445755396 /nfs/dbraw/zinc/75/53/96/445755396.db2.gz MHWWHAOVGYZMNO-UHFFFAOYSA-N 1 1 349.435 1.894 20 5 EDBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1F ZINC000350127589 445776131 /nfs/dbraw/zinc/77/61/31/445776131.db2.gz ZQZBCKGAOYVIFU-UHFFFAOYSA-N 1 1 344.306 1.881 20 5 EDBDMO O=C([C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000363387170 445782801 /nfs/dbraw/zinc/78/28/01/445782801.db2.gz AJXXYQBWBFKWMW-INIZCTEOSA-N 1 1 347.415 1.708 20 5 EDBDMO COc1cc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)c([N+](=O)[O-])cc1F ZINC000361588657 445836093 /nfs/dbraw/zinc/83/60/93/445836093.db2.gz SHPAALUQHZOVMB-GWCFXTLKSA-N 1 1 328.340 1.714 20 5 EDBDMO COc1cc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c([N+](=O)[O-])cc1F ZINC000361588657 445836098 /nfs/dbraw/zinc/83/60/98/445836098.db2.gz SHPAALUQHZOVMB-GWCFXTLKSA-N 1 1 328.340 1.714 20 5 EDBDMO COC(=O)[C@@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000361641553 445861552 /nfs/dbraw/zinc/86/15/52/445861552.db2.gz CJFXSPAEULJBMV-SNVBAGLBSA-N 1 1 337.332 1.386 20 5 EDBDMO COC(=O)[C@@H](C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000361641553 445861557 /nfs/dbraw/zinc/86/15/57/445861557.db2.gz CJFXSPAEULJBMV-SNVBAGLBSA-N 1 1 337.332 1.386 20 5 EDBDMO COc1cccc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000364944002 445971026 /nfs/dbraw/zinc/97/10/26/445971026.db2.gz MRTLVKGMWIFHTC-CQSZACIVSA-N 1 1 334.420 1.820 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2CC)c1[N+](=O)[O-] ZINC000373072603 446007756 /nfs/dbraw/zinc/00/77/56/446007756.db2.gz YGSQDPNFFORLFK-NSHDSACASA-N 1 1 346.391 1.944 20 5 EDBDMO CO[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000583852299 326151388 /nfs/dbraw/zinc/15/13/88/326151388.db2.gz CGSDVMWMSLSPBI-TUKIKUTGSA-N 1 1 347.371 1.584 20 5 EDBDMO CO[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000583852299 326151391 /nfs/dbraw/zinc/15/13/91/326151391.db2.gz CGSDVMWMSLSPBI-TUKIKUTGSA-N 1 1 347.371 1.584 20 5 EDBDMO [NH3+][C@@H]1CC[C@@H]2CN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]12 ZINC000351479567 446080584 /nfs/dbraw/zinc/08/05/84/446080584.db2.gz RXXDDXCFEDGBDO-MPESAESLSA-N 1 1 330.388 1.369 20 5 EDBDMO Nc1c(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000366292027 446132092 /nfs/dbraw/zinc/13/20/92/446132092.db2.gz NZXSVDDURNPOAG-KBPBESRZSA-N 1 1 348.403 1.550 20 5 EDBDMO Cc1[nH+]c(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c2n1CCCC2 ZINC000373195048 446090987 /nfs/dbraw/zinc/09/09/87/446090987.db2.gz FUMRSAVMAKUZNY-UHFFFAOYSA-N 1 1 331.332 1.467 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000351490440 446092623 /nfs/dbraw/zinc/09/26/23/446092623.db2.gz FDDUAAWEPKZZIK-ONGXEEELSA-N 1 1 338.339 1.271 20 5 EDBDMO CC(C)N1C(=O)N[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000365390977 446183552 /nfs/dbraw/zinc/18/35/52/446183552.db2.gz NSNNHNNQFLKVEX-MRXNPFEDSA-N 1 1 332.360 1.500 20 5 EDBDMO CC(C)N1C(=O)N[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000365390977 446183555 /nfs/dbraw/zinc/18/35/55/446183555.db2.gz NSNNHNNQFLKVEX-MRXNPFEDSA-N 1 1 332.360 1.500 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000366560946 446262406 /nfs/dbraw/zinc/26/24/06/446262406.db2.gz SNRPWOBGOIEABF-KRWDZBQOSA-N 1 1 332.404 1.951 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000370435664 446278814 /nfs/dbraw/zinc/27/88/14/446278814.db2.gz BRPXQLPWCNQITQ-FZMZJTMJSA-N 1 1 344.375 1.683 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000366609884 446280151 /nfs/dbraw/zinc/28/01/51/446280151.db2.gz QQNIKZXSXUWESV-QGZVFWFLSA-N 1 1 348.447 1.815 20 5 EDBDMO Cc1c(CN2CC[NH+](C3(C(N)=O)CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000370870492 446490534 /nfs/dbraw/zinc/49/05/34/446490534.db2.gz MJYNBLFCGMSDRD-UHFFFAOYSA-N 1 1 346.431 1.819 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000368096871 446638767 /nfs/dbraw/zinc/63/87/67/446638767.db2.gz CKAMXUCZBYWRLR-ZDUSSCGKSA-N 1 1 330.344 1.994 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000375232212 446659480 /nfs/dbraw/zinc/65/94/80/446659480.db2.gz DALYDCBPHUSQKR-YPMHNXCESA-N 1 1 334.376 1.615 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](F)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000411600883 446623034 /nfs/dbraw/zinc/62/30/34/446623034.db2.gz FPFAJZVWGZZYCI-MNOVXSKESA-N 1 1 341.339 1.337 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](F)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000411600883 446623038 /nfs/dbraw/zinc/62/30/38/446623038.db2.gz FPFAJZVWGZZYCI-MNOVXSKESA-N 1 1 341.339 1.337 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000368082404 446628524 /nfs/dbraw/zinc/62/85/24/446628524.db2.gz FIPXWKVWDRYMBT-STQMWFEESA-N 1 1 346.387 1.300 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619252401 450434654 /nfs/dbraw/zinc/43/46/54/450434654.db2.gz KMUWGRBHJBBRKO-QWHCGFSZSA-N 1 1 339.371 1.135 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411937850 446747435 /nfs/dbraw/zinc/74/74/35/446747435.db2.gz HAPXSEWTLWMFKW-GFCCVEGCSA-N 1 1 334.376 1.252 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411937850 446747441 /nfs/dbraw/zinc/74/74/41/446747441.db2.gz HAPXSEWTLWMFKW-GFCCVEGCSA-N 1 1 334.376 1.252 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000420730462 446776178 /nfs/dbraw/zinc/77/61/78/446776178.db2.gz DGABMJUPXVYMJZ-ZDUSSCGKSA-N 1 1 341.433 1.926 20 5 EDBDMO CC(C)=CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971064 446941970 /nfs/dbraw/zinc/94/19/70/446941970.db2.gz HELKKDFUEBUBLE-UHFFFAOYSA-N 1 1 327.406 1.771 20 5 EDBDMO CC(C)=CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971064 446941975 /nfs/dbraw/zinc/94/19/75/446941975.db2.gz HELKKDFUEBUBLE-UHFFFAOYSA-N 1 1 327.406 1.771 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)CC[C@H]1C ZINC000421022856 446992701 /nfs/dbraw/zinc/99/27/01/446992701.db2.gz PEUXLQXMHWRKOJ-DGCLKSJQSA-N 1 1 337.376 1.777 20 5 EDBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000455330316 447109574 /nfs/dbraw/zinc/10/95/74/447109574.db2.gz JYWZRAGQAVVHPS-LBPRGKRZSA-N 1 1 340.355 1.702 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000368811922 447125093 /nfs/dbraw/zinc/12/50/93/447125093.db2.gz BUZVKKHYJCFQHU-AWEZNQCLSA-N 1 1 339.417 1.762 20 5 EDBDMO CN1CCC[C@@]2(CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1=O ZINC000372493754 447087207 /nfs/dbraw/zinc/08/72/07/447087207.db2.gz IJUQLAPPRKQUMW-WBVHZDCISA-N 1 1 333.388 1.573 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000377607390 447241025 /nfs/dbraw/zinc/24/10/25/447241025.db2.gz PAKFPHNWDMJSDK-RYUDHWBXSA-N 1 1 334.376 1.428 20 5 EDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 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EDBDMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1CCO ZINC000595706087 449126270 /nfs/dbraw/zinc/12/62/70/449126270.db2.gz XJRHGBFZEDGQBT-CJNGLKHVSA-N 1 1 347.415 1.967 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@H]2C1 ZINC000590012822 449097859 /nfs/dbraw/zinc/09/78/59/449097859.db2.gz ZFOHESSJZRIQOC-OCCSQVGLSA-N 1 1 329.360 1.781 20 5 EDBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1CCO ZINC000595701173 449124748 /nfs/dbraw/zinc/12/47/48/449124748.db2.gz QXBWHTBATKIDCX-UNEWFSDZSA-N 1 1 338.404 1.817 20 5 EDBDMO CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CC[N@@H+](C)C1 ZINC000597945542 449154141 /nfs/dbraw/zinc/15/41/41/449154141.db2.gz HVVKMTPFTGMSHG-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)C[C@H]21 ZINC000599992566 449141068 /nfs/dbraw/zinc/14/10/68/449141068.db2.gz WIRSJIFPZGLQBC-VIKVFOODSA-N 1 1 341.371 1.617 20 5 EDBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000593670989 449141555 /nfs/dbraw/zinc/14/15/55/449141555.db2.gz OQBASCQLOJXGNB-RDJZCZTQSA-N 1 1 346.387 1.549 20 5 EDBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000590390430 449145067 /nfs/dbraw/zinc/14/50/67/449145067.db2.gz ZPBVUBJJSBJBJP-ZDUSSCGKSA-N 1 1 333.388 1.920 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595748571 449145135 /nfs/dbraw/zinc/14/51/35/449145135.db2.gz AGNCBVQPQTYYJF-KRWDZBQOSA-N 1 1 349.387 1.779 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595748571 449145136 /nfs/dbraw/zinc/14/51/36/449145136.db2.gz AGNCBVQPQTYYJF-KRWDZBQOSA-N 1 1 349.387 1.779 20 5 EDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600006769 449146008 /nfs/dbraw/zinc/14/60/08/449146008.db2.gz FQEJKNQODBLDNS-UHFFFAOYSA-N 1 1 347.415 1.851 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000590399609 449148113 /nfs/dbraw/zinc/14/81/13/449148113.db2.gz KYLYWUNCRZSOAO-CABCVRRESA-N 1 1 337.351 1.669 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000590401461 449149074 /nfs/dbraw/zinc/14/90/74/449149074.db2.gz KQSULCAKHOECBP-GHMZBOCLSA-N 1 1 325.390 1.592 20 5 EDBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000597989280 449173319 /nfs/dbraw/zinc/17/33/19/449173319.db2.gz FCHIATRSHAYTNS-AWEZNQCLSA-N 1 1 344.371 1.420 20 5 EDBDMO C[C@@H]1C[N@H+](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000597996061 449180916 /nfs/dbraw/zinc/18/09/16/449180916.db2.gz HXSJECHLHFQETN-UONOGXRCSA-N 1 1 335.404 1.753 20 5 EDBDMO C[C@@H]1C[N@@H+](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000597996061 449180919 /nfs/dbraw/zinc/18/09/19/449180919.db2.gz HXSJECHLHFQETN-UONOGXRCSA-N 1 1 335.404 1.753 20 5 EDBDMO O=C(C[N@H+]1CC[C@H]2COC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595826926 449190522 /nfs/dbraw/zinc/19/05/22/449190522.db2.gz BDPLGQHLCZDFNG-UONOGXRCSA-N 1 1 331.372 1.452 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000593851226 449237235 /nfs/dbraw/zinc/23/72/35/449237235.db2.gz XGWNAFAURCSBBN-CQSZACIVSA-N 1 1 343.387 1.327 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000593851226 449237238 /nfs/dbraw/zinc/23/72/38/449237238.db2.gz XGWNAFAURCSBBN-CQSZACIVSA-N 1 1 343.387 1.327 20 5 EDBDMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611265616 449241884 /nfs/dbraw/zinc/24/18/84/449241884.db2.gz MPAHOWAKCKMZHG-LBPRGKRZSA-N 1 1 335.360 1.596 20 5 EDBDMO C[N@H+]1CC[C@@H](CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000602032955 449288497 /nfs/dbraw/zinc/28/84/97/449288497.db2.gz BYBUGISHPLQSTB-AWEZNQCLSA-N 1 1 332.404 1.585 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598221484 449297461 /nfs/dbraw/zinc/29/74/61/449297461.db2.gz VZWJHYPXDMKKEH-CYBMUJFWSA-N 1 1 335.408 1.623 20 5 EDBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593503340 449311902 /nfs/dbraw/zinc/31/19/02/449311902.db2.gz IGJZVFDRPKTXSK-SNVBAGLBSA-N 1 1 343.181 1.008 20 5 EDBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593503340 449311909 /nfs/dbraw/zinc/31/19/09/449311909.db2.gz IGJZVFDRPKTXSK-SNVBAGLBSA-N 1 1 343.181 1.008 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000593557751 449347952 /nfs/dbraw/zinc/34/79/52/449347952.db2.gz QBAYUVIULKGONZ-RYUDHWBXSA-N 1 1 342.421 1.483 20 5 EDBDMO C[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)[N@H+]1CCc2ccccc2C1 ZINC000596077902 449352762 /nfs/dbraw/zinc/35/27/62/449352762.db2.gz ZKILJMRFNJISTO-GFCCVEGCSA-N 1 1 327.388 2.431 20 5 EDBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600529111 449427826 /nfs/dbraw/zinc/42/78/26/449427826.db2.gz WIFFQHBMBVKFST-WCQYABFASA-N 1 1 339.417 1.258 20 5 EDBDMO CN(C)c1[nH+]cc(CNc2ncnc3ccc([N+](=O)[O-])cc32)n1C ZINC000611707503 449389439 /nfs/dbraw/zinc/38/94/39/449389439.db2.gz RYYGVGWGFPVLDD-UHFFFAOYSA-N 1 1 327.348 1.950 20 5 EDBDMO CC(C)[N@H+]1CCO[C@@H](Cn2cc(-c3ccc([N+](=O)[O-])nc3)cn2)C1 ZINC000600789936 449546627 /nfs/dbraw/zinc/54/66/27/449546627.db2.gz UUNCHWHEONRUSH-OAHLLOKOSA-N 1 1 331.376 1.963 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)nc1 ZINC000594484592 449548416 /nfs/dbraw/zinc/54/84/16/449548416.db2.gz VHYLLRPHRPWSNT-STQMWFEESA-N 1 1 340.405 1.285 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2csc(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)n2)cc1 ZINC000594604278 449590471 /nfs/dbraw/zinc/59/04/71/449590471.db2.gz VZFWPWMIYNEGAM-UONOGXRCSA-N 1 1 346.412 1.974 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602535054 449657473 /nfs/dbraw/zinc/65/74/73/449657473.db2.gz MFUMYPJUMVRMDU-CYBMUJFWSA-N 1 1 334.376 1.936 20 5 EDBDMO COCCN1CCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602535054 449657482 /nfs/dbraw/zinc/65/74/82/449657482.db2.gz MFUMYPJUMVRMDU-CYBMUJFWSA-N 1 1 334.376 1.936 20 5 EDBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000600981417 449631733 /nfs/dbraw/zinc/63/17/33/449631733.db2.gz KOVJOMVXQMIHQB-TXEJJXNPSA-N 1 1 339.367 1.963 20 5 EDBDMO COCC[N@@H+](C)CCN1C[C@H](Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000601177924 449735226 /nfs/dbraw/zinc/73/52/26/449735226.db2.gz DWYURYSADIHYQP-CQSZACIVSA-N 1 1 336.392 1.186 20 5 EDBDMO CCc1nn(C)c(N2CC[NH+](Cc3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC000601257286 449780524 /nfs/dbraw/zinc/78/05/24/449780524.db2.gz NADWLSVOYNHQJK-UHFFFAOYSA-N 1 1 345.403 1.919 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnc4n3CCC4)C2)nc1 ZINC000597013366 449767349 /nfs/dbraw/zinc/76/73/49/449767349.db2.gz IZANIOWLGSTYGP-LBPRGKRZSA-N 1 1 328.376 1.819 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnc4n3CCC4)C2)nc1 ZINC000597013366 449767355 /nfs/dbraw/zinc/76/73/55/449767355.db2.gz IZANIOWLGSTYGP-LBPRGKRZSA-N 1 1 328.376 1.819 20 5 EDBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000601345002 449854772 /nfs/dbraw/zinc/85/47/72/449854772.db2.gz KDVRDOIVVMDCNH-GFCCVEGCSA-N 1 1 339.367 1.701 20 5 EDBDMO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])s1 ZINC000601344835 449855219 /nfs/dbraw/zinc/85/52/19/449855219.db2.gz GFCIULLPQXAWMI-MWLCHTKSSA-N 1 1 345.446 1.822 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595092693 449866258 /nfs/dbraw/zinc/86/62/58/449866258.db2.gz ZEYPWTGZHMXELT-GFCCVEGCSA-N 1 1 348.403 1.831 20 5 EDBDMO Cc1cc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000601405069 449921378 /nfs/dbraw/zinc/92/13/78/449921378.db2.gz PYEBHMLPYDKFGK-PHIMTYICSA-N 1 1 343.380 1.224 20 5 EDBDMO CNc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000597576698 450120287 /nfs/dbraw/zinc/12/02/87/450120287.db2.gz XTEQELNYFAHQMP-JSGCOSHPSA-N 1 1 336.367 1.895 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOC[C@@H]3CCCO3)CC2)cn1 ZINC000610161075 450149114 /nfs/dbraw/zinc/14/91/14/450149114.db2.gz RWLWXEWVOXCCTL-HNNXBMFYSA-N 1 1 336.392 1.307 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610177407 450150397 /nfs/dbraw/zinc/15/03/97/450150397.db2.gz KEXLRLVJSMZEKY-SMDDNHRTSA-N 1 1 349.387 1.778 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000610213831 450153647 /nfs/dbraw/zinc/15/36/47/450153647.db2.gz USEZOMPIRDVSJC-ZDUSSCGKSA-N 1 1 349.387 1.987 20 5 EDBDMO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000610576967 450265701 /nfs/dbraw/zinc/26/57/01/450265701.db2.gz NUZOUUJVEVKNQC-LLVKDONJSA-N 1 1 345.396 1.887 20 5 EDBDMO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000173959091 534275045 /nfs/dbraw/zinc/27/50/45/534275045.db2.gz MKBCDGMIWPQWCE-PALPZSCYSA-N 1 1 345.399 1.787 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000131915085 534320733 /nfs/dbraw/zinc/32/07/33/534320733.db2.gz SIZKFWNTEVHHMN-JQWIXIFHSA-N 1 1 335.282 1.144 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000131915085 534320741 /nfs/dbraw/zinc/32/07/41/534320741.db2.gz SIZKFWNTEVHHMN-JQWIXIFHSA-N 1 1 335.282 1.144 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000158985432 534573780 /nfs/dbraw/zinc/57/37/80/534573780.db2.gz ZPAUMKDGXYOXOK-ZDUSSCGKSA-N 1 1 329.360 1.712 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000158985432 534573786 /nfs/dbraw/zinc/57/37/86/534573786.db2.gz ZPAUMKDGXYOXOK-ZDUSSCGKSA-N 1 1 329.360 1.712 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000158985432 534573789 /nfs/dbraw/zinc/57/37/89/534573789.db2.gz ZPAUMKDGXYOXOK-ZDUSSCGKSA-N 1 1 329.360 1.712 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188612050 527311765 /nfs/dbraw/zinc/31/17/65/527311765.db2.gz BWHJYFBPKJGOCP-NSHDSACASA-N 1 1 336.392 1.215 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188612050 527311774 /nfs/dbraw/zinc/31/17/74/527311774.db2.gz BWHJYFBPKJGOCP-NSHDSACASA-N 1 1 336.392 1.215 20 5 EDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000183529049 529092271 /nfs/dbraw/zinc/09/22/71/529092271.db2.gz BSDNECFRMDSYLM-AWEZNQCLSA-N 1 1 341.433 1.541 20 5 EDBDMO CC[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000174626779 529260000 /nfs/dbraw/zinc/26/00/00/529260000.db2.gz DTNFUONPSAGZAR-RIEFBQKVSA-N 1 1 347.415 1.912 20 5 EDBDMO COc1cc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)ccc1[N+](=O)[O-] ZINC000345604492 536772678 /nfs/dbraw/zinc/77/26/78/536772678.db2.gz VYPXVWOQJFLYRH-KGLIPLIRSA-N 1 1 348.403 1.980 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)ccc1[N+](=O)[O-] ZINC000345604492 536772684 /nfs/dbraw/zinc/77/26/84/536772684.db2.gz VYPXVWOQJFLYRH-KGLIPLIRSA-N 1 1 348.403 1.980 20 5 EDBDMO 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ZINC000361456344 707457405 /nfs/dbraw/zinc/45/74/05/707457405.db2.gz HDZMLEMVKRYMTR-MEDUHNTESA-N 1 1 338.335 1.745 20 5 EDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCOC2CCC2)CC1 ZINC001005381457 708812081 /nfs/dbraw/zinc/81/20/81/708812081.db2.gz KVNOVXRWNMQSOL-HUUCEWRRSA-N 1 1 325.409 1.144 20 5 EDBDMO Cn1cnc(C(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC001002741430 709344088 /nfs/dbraw/zinc/34/40/88/709344088.db2.gz JPTWUPFVTQXHDG-UHFFFAOYSA-N 1 1 344.375 1.118 20 5 EDBDMO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1ncc[nH]1 ZINC001002765535 709375143 /nfs/dbraw/zinc/37/51/43/709375143.db2.gz LDNSELWHDIQNCK-UHFFFAOYSA-N 1 1 329.360 1.712 20 5 EDBDMO O=C(NCc1ccc(CNCc2nncs2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001034816477 711198262 /nfs/dbraw/zinc/19/82/62/711198262.db2.gz PEFNHVKWZUOTPT-CHWSQXEVSA-N 1 1 347.400 1.109 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173984817 231090073 /nfs/dbraw/zinc/09/00/73/231090073.db2.gz SBGVVAMROVFOAH-CJNGLKHVSA-N 1 1 348.403 1.328 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173984817 231090076 /nfs/dbraw/zinc/09/00/76/231090076.db2.gz SBGVVAMROVFOAH-CJNGLKHVSA-N 1 1 348.403 1.328 20 5 EDBDMO C[N@H+](Cc1ccc(Cl)nc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174583120 529985869 /nfs/dbraw/zinc/98/58/69/529985869.db2.gz HLNJALYMIHZDCO-LBPRGKRZSA-N 1 1 325.756 1.333 20 5 EDBDMO COC(=O)[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000560823758 306279910 /nfs/dbraw/zinc/27/99/10/306279910.db2.gz OPUGLHUFPZFVER-LBPRGKRZSA-N 1 1 344.371 1.684 20 5 EDBDMO Cc1cccc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000068601657 215321588 /nfs/dbraw/zinc/32/15/88/215321588.db2.gz XOJGZDDUONSGHE-UHFFFAOYSA-N 1 1 348.403 1.186 20 5 EDBDMO Cc1cc(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000184328910 235368410 /nfs/dbraw/zinc/36/84/10/235368410.db2.gz RBQKOHAUCYOOEC-AWEZNQCLSA-N 1 1 334.420 1.659 20 5 EDBDMO O=C(CC[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000089154918 138273460 /nfs/dbraw/zinc/27/34/60/138273460.db2.gz DBGIOQGFJXFFCH-JKSUJKDBSA-N 1 1 349.387 1.803 20 5 EDBDMO COC(=O)c1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c[nH]1 ZINC000093534652 138293780 /nfs/dbraw/zinc/29/37/80/138293780.db2.gz VFGMPXCHRKJDMW-LBPRGKRZSA-N 1 1 345.359 1.791 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000124804333 138329832 /nfs/dbraw/zinc/32/98/32/138329832.db2.gz OMMBKMDPKPIINE-BETUJISGSA-N 1 1 339.417 1.672 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000565071676 306374637 /nfs/dbraw/zinc/37/46/37/306374637.db2.gz WVOSRFPPPWRCNM-GFCCVEGCSA-N 1 1 344.371 1.987 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2nncc2C1 ZINC000565725079 306390206 /nfs/dbraw/zinc/39/02/06/306390206.db2.gz WCVQHYSKUCPOGR-UHFFFAOYSA-N 1 1 330.348 1.339 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCn2nncc2C1 ZINC000565725079 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RFKJICNXCRBTSZ-SNVBAGLBSA-N 1 1 333.385 1.743 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000104747972 441204214 /nfs/dbraw/zinc/20/42/14/441204214.db2.gz JUQKXWCSUBMPBW-GFCCVEGCSA-N 1 1 327.406 1.475 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000080961628 441212362 /nfs/dbraw/zinc/21/23/62/441212362.db2.gz VNQSYZVAIYXKJT-ZFWWWQNUSA-N 1 1 346.387 1.937 20 5 EDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000060510992 441248848 /nfs/dbraw/zinc/24/88/48/441248848.db2.gz VPKYUEQURJGHJK-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000060510992 441248852 /nfs/dbraw/zinc/24/88/52/441248852.db2.gz VPKYUEQURJGHJK-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO CC[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000105790774 441270084 /nfs/dbraw/zinc/27/00/84/441270084.db2.gz JDBAPQVVYLDNNZ-MNOVXSKESA-N 1 1 339.421 1.585 20 5 EDBDMO CNC(=O)[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000081553711 441287406 /nfs/dbraw/zinc/28/74/06/441287406.db2.gz WZMIOUMDOMMANH-ZYHUDNBSSA-N 1 1 336.392 1.544 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049131511 441347452 /nfs/dbraw/zinc/34/74/52/441347452.db2.gz IVXKVBXDJODQMQ-CYBMUJFWSA-N 1 1 348.403 1.914 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CCn3cnnc3C2)cccc1[N+](=O)[O-] ZINC000105879333 441304698 /nfs/dbraw/zinc/30/46/98/441304698.db2.gz UOBHJFAJSATDHC-UHFFFAOYSA-N 1 1 330.348 1.339 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCn3cnnc3C2)cccc1[N+](=O)[O-] ZINC000105879333 441304702 /nfs/dbraw/zinc/30/47/02/441304702.db2.gz UOBHJFAJSATDHC-UHFFFAOYSA-N 1 1 330.348 1.339 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000106863644 441380341 /nfs/dbraw/zinc/38/03/41/441380341.db2.gz OUPBIJSKXGFXHU-SMDDNHRTSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000106863644 441380345 /nfs/dbraw/zinc/38/03/45/441380345.db2.gz OUPBIJSKXGFXHU-SMDDNHRTSA-N 1 1 337.376 1.777 20 5 EDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)nc2c1 ZINC000083212979 441354996 /nfs/dbraw/zinc/35/49/96/441354996.db2.gz YCTUIUCYSVUZPG-CYBMUJFWSA-N 1 1 346.387 1.890 20 5 EDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](CN4CCOCC4)C3)nc2c1 ZINC000083212979 441354999 /nfs/dbraw/zinc/35/49/99/441354999.db2.gz YCTUIUCYSVUZPG-CYBMUJFWSA-N 1 1 346.387 1.890 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)NC(C)(C)C ZINC000026262616 441372831 /nfs/dbraw/zinc/37/28/31/441372831.db2.gz GIQSPUBPIKXYCO-UHFFFAOYSA-N 1 1 336.392 1.770 20 5 EDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCCOC1 ZINC000107689854 441425498 /nfs/dbraw/zinc/42/54/98/441425498.db2.gz ZRNVJOUMNCCCFA-ZDUSSCGKSA-N 1 1 333.388 1.842 20 5 EDBDMO CC(C)C[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000065962565 441497062 /nfs/dbraw/zinc/49/70/62/441497062.db2.gz BPIXZOROZIYYNF-UHFFFAOYSA-N 1 1 334.420 1.831 20 5 EDBDMO Cc1cc(N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074727216 441459753 /nfs/dbraw/zinc/45/97/53/441459753.db2.gz WLWOPERCIIIYPT-UHFFFAOYSA-N 1 1 349.435 1.725 20 5 EDBDMO Cc1cc(N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074727216 441459757 /nfs/dbraw/zinc/45/97/57/441459757.db2.gz WLWOPERCIIIYPT-UHFFFAOYSA-N 1 1 349.435 1.725 20 5 EDBDMO COCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000066379472 441526596 /nfs/dbraw/zinc/52/65/96/441526596.db2.gz HPXORHYLHKTLKW-NSHDSACASA-N 1 1 325.365 1.899 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000066396315 441529496 /nfs/dbraw/zinc/52/94/96/441529496.db2.gz VWILIPXWGVILBB-CQSZACIVSA-N 1 1 347.415 1.849 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000090516270 441631831 /nfs/dbraw/zinc/63/18/31/441631831.db2.gz RKUXXKLUZVTMAA-UHFFFAOYSA-N 1 1 344.371 1.284 20 5 EDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 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CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153308081 442274580 /nfs/dbraw/zinc/27/45/80/442274580.db2.gz FZYMZQYECYOSRT-GFCCVEGCSA-N 1 1 329.422 1.745 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000170969678 442295073 /nfs/dbraw/zinc/29/50/73/442295073.db2.gz NZVNNPIOMYMUSD-ZDUSSCGKSA-N 1 1 343.387 1.852 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000177275234 442323819 /nfs/dbraw/zinc/32/38/19/442323819.db2.gz RNLNOGWPVPDDNV-ZDUSSCGKSA-N 1 1 339.367 1.821 20 5 EDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153901702 442309976 /nfs/dbraw/zinc/30/99/76/442309976.db2.gz VYWLCIUOVMWJTA-AWEZNQCLSA-N 1 1 341.433 1.698 20 5 EDBDMO Cc1cc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc([N+](=O)[O-])c1 ZINC000179753845 442497653 /nfs/dbraw/zinc/49/76/53/442497653.db2.gz UUBUJOTYSSPWHL-UHFFFAOYSA-N 1 1 335.404 1.822 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000186152410 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O=C1NC(=O)[C@]2(CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)N1 ZINC000192636154 442670977 /nfs/dbraw/zinc/67/09/77/442670977.db2.gz WNWVARMTQCTISN-CQSZACIVSA-N 1 1 338.751 1.422 20 5 EDBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000193333097 442733708 /nfs/dbraw/zinc/73/37/08/442733708.db2.gz QMJMUFCEEZCTRO-ZDUSSCGKSA-N 1 1 347.419 1.790 20 5 EDBDMO CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246594213 442795850 /nfs/dbraw/zinc/79/58/50/442795850.db2.gz MOMRJHBGSYAPRN-GXTWGEPZSA-N 1 1 348.403 1.722 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193613095 442759482 /nfs/dbraw/zinc/75/94/82/442759482.db2.gz VTGKYMBTIMCVMD-UPJWGTAASA-N 1 1 348.403 1.424 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)C1CC1 ZINC000182781666 442824502 /nfs/dbraw/zinc/82/45/02/442824502.db2.gz DISSQVYDXZIFAY-UHFFFAOYSA-N 1 1 345.396 1.805 20 5 EDBDMO 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ZINC000411984867 319218015 /nfs/dbraw/zinc/21/80/15/319218015.db2.gz NVLYLNKNHSTLOC-HNNXBMFYSA-N 1 1 329.404 1.998 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413900997 319298996 /nfs/dbraw/zinc/29/89/96/319298996.db2.gz LRCBJSFCGXVEAF-GFCCVEGCSA-N 1 1 335.360 1.080 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413900997 319298998 /nfs/dbraw/zinc/29/89/98/319298998.db2.gz LRCBJSFCGXVEAF-GFCCVEGCSA-N 1 1 335.360 1.080 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000414666882 319338499 /nfs/dbraw/zinc/33/84/99/319338499.db2.gz XAFMAOMNGQPBPF-AWEZNQCLSA-N 1 1 347.375 1.023 20 5 EDBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246181662 443275901 /nfs/dbraw/zinc/27/59/01/443275901.db2.gz UCNDDQYMGLVLPV-VXGBXAGGSA-N 1 1 330.410 1.079 20 5 EDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246181662 443275905 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445045907 /nfs/dbraw/zinc/04/59/07/445045907.db2.gz JGLVCKNCPLSFOK-VXGBXAGGSA-N 1 1 349.387 1.936 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341992520 445111641 /nfs/dbraw/zinc/11/16/41/445111641.db2.gz MXBFBHGLYQUXFB-RHSMWYFYSA-N 1 1 336.388 1.837 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343316177 445195931 /nfs/dbraw/zinc/19/59/31/445195931.db2.gz DVISGNKYPKRRQN-GFCCVEGCSA-N 1 1 341.371 1.747 20 5 EDBDMO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000348214071 445318100 /nfs/dbraw/zinc/31/81/00/445318100.db2.gz KELTYXOQGQFNES-INIZCTEOSA-N 1 1 332.404 1.726 20 5 EDBDMO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000362547593 445433165 /nfs/dbraw/zinc/43/31/65/445433165.db2.gz KORBMYNMCFTTPD-LBPRGKRZSA-N 1 1 341.371 1.593 20 5 EDBDMO COc1cc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000354006919 445850344 /nfs/dbraw/zinc/85/03/44/445850344.db2.gz UFLMCJLRAROFKD-LLVKDONJSA-N 1 1 337.376 1.778 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000354011282 445853899 /nfs/dbraw/zinc/85/38/99/445853899.db2.gz ZJKWQULAOPPGFP-NSHDSACASA-N 1 1 335.360 1.548 20 5 EDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366042243 445978502 /nfs/dbraw/zinc/97/85/02/445978502.db2.gz RFYPLRUGNCBUIJ-WUTVXBCWSA-N 1 1 331.372 1.541 20 5 EDBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369267763 446032615 /nfs/dbraw/zinc/03/26/15/446032615.db2.gz QCXDOTKZNVQXPW-OAHLLOKOSA-N 1 1 346.431 1.422 20 5 EDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000356854469 446071896 /nfs/dbraw/zinc/07/18/96/446071896.db2.gz PHIVFXFBIGSONE-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000356854469 446071900 /nfs/dbraw/zinc/07/19/00/446071900.db2.gz PHIVFXFBIGSONE-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000373237436 446114555 /nfs/dbraw/zinc/11/45/55/446114555.db2.gz RBGCEMMDHCDMGC-KRWDZBQOSA-N 1 1 349.387 1.779 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000373237436 446114561 /nfs/dbraw/zinc/11/45/61/446114561.db2.gz RBGCEMMDHCDMGC-KRWDZBQOSA-N 1 1 349.387 1.779 20 5 EDBDMO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000362024330 446160668 /nfs/dbraw/zinc/16/06/68/446160668.db2.gz JPDXSJHUTDWZSW-KBPBESRZSA-N 1 1 348.359 1.928 20 5 EDBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369709748 446148779 /nfs/dbraw/zinc/14/87/79/446148779.db2.gz HGEKRXYHBBWMKR-OAHLLOKOSA-N 1 1 343.387 1.524 20 5 EDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365549733 446250315 /nfs/dbraw/zinc/25/03/15/446250315.db2.gz ICMHNLFYYZEBHU-AEGPPILISA-N 1 1 333.392 1.124 20 5 EDBDMO CC[N@@H+](CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C(C)C ZINC000411244215 446441361 /nfs/dbraw/zinc/44/13/61/446441361.db2.gz MXSDGIAJGDFLJJ-UHFFFAOYSA-N 1 1 336.392 1.688 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000411254596 446447513 /nfs/dbraw/zinc/44/75/13/446447513.db2.gz NYNRSVMOJRBSBR-LBPRGKRZSA-N 1 1 346.387 1.503 20 5 EDBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000374919013 446458636 /nfs/dbraw/zinc/45/86/36/446458636.db2.gz SXFNPLOAQLGDQD-OCCSQVGLSA-N 1 1 341.433 1.978 20 5 EDBDMO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000374919013 446458643 /nfs/dbraw/zinc/45/86/43/446458643.db2.gz SXFNPLOAQLGDQD-OCCSQVGLSA-N 1 1 341.433 1.978 20 5 EDBDMO O=C(CC[N@H+]1CCC[C@H]1C(=O)NC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411273184 446458968 /nfs/dbraw/zinc/45/89/68/446458968.db2.gz UWHACZFJASILKT-HNNXBMFYSA-N 1 1 346.387 1.666 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]21 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/nfs/dbraw/zinc/67/94/57/446679457.db2.gz BFMDQYLCXCSWBQ-UHOFOFEASA-N 1 1 348.403 1.770 20 5 EDBDMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000371308406 446763986 /nfs/dbraw/zinc/76/39/86/446763986.db2.gz NYSPMFZKKZBPBB-KRWDZBQOSA-N 1 1 344.415 1.476 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000412048017 446811883 /nfs/dbraw/zinc/81/18/83/446811883.db2.gz PRAIZPCCRAUMBF-SGMGOOAPSA-N 1 1 349.387 1.635 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000412048017 446811891 /nfs/dbraw/zinc/81/18/91/446811891.db2.gz PRAIZPCCRAUMBF-SGMGOOAPSA-N 1 1 349.387 1.635 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000412068602 446829844 /nfs/dbraw/zinc/82/98/44/446829844.db2.gz FEVTYHDKARXHNS-DOMZBBRYSA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000412068602 446829849 /nfs/dbraw/zinc/82/98/49/446829849.db2.gz FEVTYHDKARXHNS-DOMZBBRYSA-N 1 1 337.376 1.313 20 5 EDBDMO CCC[N@H+]1CC[C@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000439109967 446807929 /nfs/dbraw/zinc/80/79/29/446807929.db2.gz SRIXKHGYTICDOX-LLVKDONJSA-N 1 1 331.376 2.387 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000371507193 446900587 /nfs/dbraw/zinc/90/05/87/446900587.db2.gz YLLNZFMGMSNLOE-ZFWWWQNUSA-N 1 1 339.417 1.451 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000412147453 446879019 /nfs/dbraw/zinc/87/90/19/446879019.db2.gz RPYTVWRNGKGVQV-UWWPHRKUSA-N 1 1 347.415 1.612 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000412147453 446879021 /nfs/dbraw/zinc/87/90/21/446879021.db2.gz RPYTVWRNGKGVQV-UWWPHRKUSA-N 1 1 347.415 1.612 20 5 EDBDMO CNC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000420978421 446953002 /nfs/dbraw/zinc/95/30/02/446953002.db2.gz RLUQPMGNGUSJQF-VXGBXAGGSA-N 1 1 334.376 1.298 20 5 EDBDMO CNC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000420978421 446953009 /nfs/dbraw/zinc/95/30/09/446953009.db2.gz RLUQPMGNGUSJQF-VXGBXAGGSA-N 1 1 334.376 1.298 20 5 EDBDMO C[NH+](C)[C@]1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCCSC1 ZINC000368575944 446953853 /nfs/dbraw/zinc/95/38/53/446953853.db2.gz PFBGBWWYBIFFKZ-OAHLLOKOSA-N 1 1 349.416 2.237 20 5 EDBDMO Cc1cc(NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455084183 447045056 /nfs/dbraw/zinc/04/50/56/447045056.db2.gz NPTJWXRGUZINNX-BETUJISGSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1cc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455084183 447045058 /nfs/dbraw/zinc/04/50/58/447045058.db2.gz NPTJWXRGUZINNX-BETUJISGSA-N 1 1 336.392 1.822 20 5 EDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000421295137 447108339 /nfs/dbraw/zinc/10/83/39/447108339.db2.gz HQVXCSOVHVOUFR-LBPRGKRZSA-N 1 1 338.339 1.225 20 5 EDBDMO C[N@@H+](CCO)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444625089 447110590 /nfs/dbraw/zinc/11/05/90/447110590.db2.gz GYMQQBRURCQSFD-UHFFFAOYSA-N 1 1 333.392 1.360 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421305476 447119910 /nfs/dbraw/zinc/11/99/10/447119910.db2.gz MZRMYAFNBKGBNV-CYBMUJFWSA-N 1 1 348.403 1.703 20 5 EDBDMO CC1(C)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1O ZINC000446059858 447223191 /nfs/dbraw/zinc/22/31/91/447223191.db2.gz KJTJMUXAVXTVQV-GJZGRUSLSA-N 1 1 333.388 1.793 20 5 EDBDMO CC1(C)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1O ZINC000446059858 447223197 /nfs/dbraw/zinc/22/31/97/447223197.db2.gz KJTJMUXAVXTVQV-GJZGRUSLSA-N 1 1 333.388 1.793 20 5 EDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000421707223 447227932 /nfs/dbraw/zinc/22/79/32/447227932.db2.gz WZABNGYKIXFHNP-ZDUSSCGKSA-N 1 1 344.375 1.342 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000446087436 447229746 /nfs/dbraw/zinc/22/97/46/447229746.db2.gz YYMXTZWEFIJAKI-ZDUSSCGKSA-N 1 1 348.403 1.220 20 5 EDBDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372739095 447259538 /nfs/dbraw/zinc/25/95/38/447259538.db2.gz IDUXKUIOZDBBIW-HIFRSBDPSA-N 1 1 334.380 1.031 20 5 EDBDMO Cc1nc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450406448 447480878 /nfs/dbraw/zinc/48/08/78/447480878.db2.gz HJJJOVPYUWQMOS-GJZGRUSLSA-N 1 1 343.387 1.741 20 5 EDBDMO C[N@@H+](CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000416499975 447627843 /nfs/dbraw/zinc/62/78/43/447627843.db2.gz DWQPPEVQOOWEBT-UHFFFAOYSA-N 1 1 333.435 1.809 20 5 EDBDMO NC(=O)c1cccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)c1 ZINC000451210149 447706095 /nfs/dbraw/zinc/70/60/95/447706095.db2.gz QQGNLTGVGWUBQW-UHFFFAOYSA-N 1 1 329.360 1.555 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000459686913 447740228 /nfs/dbraw/zinc/74/02/28/447740228.db2.gz VPJKNCKUJDFQOE-HIFRSBDPSA-N 1 1 331.372 1.695 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451904828 447779485 /nfs/dbraw/zinc/77/94/85/447779485.db2.gz BTCTUCNDXJDYIG-PBHICJAKSA-N 1 1 336.388 1.837 20 5 EDBDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[N@H+]1C ZINC000525189924 447975520 /nfs/dbraw/zinc/97/55/20/447975520.db2.gz KLEBEJHBVVMONU-WDEREUQCSA-N 1 1 328.394 1.093 20 5 EDBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@H+]1C ZINC000525543101 448004019 /nfs/dbraw/zinc/00/40/19/448004019.db2.gz YPBPIBMDPAICJN-NWDGAFQWSA-N 1 1 349.387 1.921 20 5 EDBDMO O=C(NCC[N@H+]1CC=CCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000526026888 448083010 /nfs/dbraw/zinc/08/30/10/448083010.db2.gz OKAQOWFVZWXFEA-UHFFFAOYSA-N 1 1 333.344 1.358 20 5 EDBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000526026888 448083014 /nfs/dbraw/zinc/08/30/14/448083014.db2.gz OKAQOWFVZWXFEA-UHFFFAOYSA-N 1 1 333.344 1.358 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000507314447 448138767 /nfs/dbraw/zinc/13/87/67/448138767.db2.gz AGVJPCXVKSJUIG-VIFPVBQESA-N 1 1 333.797 1.539 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000507314447 448138773 /nfs/dbraw/zinc/13/87/73/448138773.db2.gz AGVJPCXVKSJUIG-VIFPVBQESA-N 1 1 333.797 1.539 20 5 EDBDMO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577180334 448227982 /nfs/dbraw/zinc/22/79/82/448227982.db2.gz FPOFAQWDBAOFPQ-ZDUSSCGKSA-N 1 1 336.396 1.305 20 5 EDBDMO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577180334 448227985 /nfs/dbraw/zinc/22/79/85/448227985.db2.gz FPOFAQWDBAOFPQ-ZDUSSCGKSA-N 1 1 336.396 1.305 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000591028755 448239653 /nfs/dbraw/zinc/23/96/53/448239653.db2.gz DWZKTWWRMZTIPJ-DOMZBBRYSA-N 1 1 346.387 1.313 20 5 EDBDMO CCc1ccc(S(=O)(=O)NCC[N@H+](C)CCOC)cc1[N+](=O)[O-] ZINC000566169571 448402399 /nfs/dbraw/zinc/40/23/99/448402399.db2.gz FHTYZLIXOIGIID-UHFFFAOYSA-N 1 1 345.421 1.014 20 5 EDBDMO CCc1ccc(S(=O)(=O)NCC[N@@H+](C)CCOC)cc1[N+](=O)[O-] ZINC000566169571 448402402 /nfs/dbraw/zinc/40/24/02/448402402.db2.gz FHTYZLIXOIGIID-UHFFFAOYSA-N 1 1 345.421 1.014 20 5 EDBDMO CNc1nccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000583943541 448466363 /nfs/dbraw/zinc/46/63/63/448466363.db2.gz MWSKBZIKPYKSDW-NEPJUHHUSA-N 1 1 335.408 2.024 20 5 EDBDMO CCc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000592007693 448622014 /nfs/dbraw/zinc/62/20/14/448622014.db2.gz HWPVSAOXPJRLSF-CYBMUJFWSA-N 1 1 341.433 1.920 20 5 EDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000579002556 448692587 /nfs/dbraw/zinc/69/25/87/448692587.db2.gz QKTBHQCMOMCPPE-LBPRGKRZSA-N 1 1 333.392 1.376 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567796223 448764532 /nfs/dbraw/zinc/76/45/32/448764532.db2.gz LMBZZGQHCYDHIM-RISCZKNCSA-N 1 1 335.360 1.653 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567796223 448764535 /nfs/dbraw/zinc/76/45/35/448764535.db2.gz LMBZZGQHCYDHIM-RISCZKNCSA-N 1 1 335.360 1.653 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@H+]2CC[C@H](C)C2)c1F ZINC000574289871 448838661 /nfs/dbraw/zinc/83/86/61/448838661.db2.gz YIKLRKBMMDHOGZ-NSHDSACASA-N 1 1 339.367 1.743 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000519825002 448853617 /nfs/dbraw/zinc/85/36/17/448853617.db2.gz YLJOQWHTYWRYDX-OAHLLOKOSA-N 1 1 342.355 1.785 20 5 EDBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588070231 448865656 /nfs/dbraw/zinc/86/56/56/448865656.db2.gz SGJXPZIUDLXZFX-TZMCWYRMSA-N 1 1 343.387 1.837 20 5 EDBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC000548059677 448977589 /nfs/dbraw/zinc/97/75/89/448977589.db2.gz OCSVKBKOTKAERV-UHFFFAOYSA-N 1 1 343.387 1.954 20 5 EDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000595608785 449077153 /nfs/dbraw/zinc/07/71/53/449077153.db2.gz WIYQGNNKVBLPDY-CYBMUJFWSA-N 1 1 347.375 1.596 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000589925814 449080756 /nfs/dbraw/zinc/08/07/56/449080756.db2.gz SPQVDYRVCMGGCV-RISCZKNCSA-N 1 1 325.390 1.228 20 5 EDBDMO C[C@H](CO)C1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000593082878 449126217 /nfs/dbraw/zinc/12/62/17/449126217.db2.gz IZFZZJFYERZOCB-CYBMUJFWSA-N 1 1 335.404 1.898 20 5 EDBDMO CCOc1ccc(NC(=O)CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000590010822 449096206 /nfs/dbraw/zinc/09/62/06/449096206.db2.gz ZOKMTNZFBQJPRR-MLGOLLRUSA-N 1 1 348.403 1.568 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000590011675 449096574 /nfs/dbraw/zinc/09/65/74/449096574.db2.gz LRQHSOISGNEXLU-XJKSGUPXSA-N 1 1 330.388 1.120 20 5 EDBDMO Cc1c(NC(=O)CCN2CC[C@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590011758 449096672 /nfs/dbraw/zinc/09/66/72/449096672.db2.gz ORTVELYIJLKZOJ-XJKSGUPXSA-N 1 1 332.404 1.868 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590011758 449096674 /nfs/dbraw/zinc/09/66/74/449096674.db2.gz ORTVELYIJLKZOJ-XJKSGUPXSA-N 1 1 332.404 1.868 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590011758 449096676 /nfs/dbraw/zinc/09/66/76/449096676.db2.gz ORTVELYIJLKZOJ-XJKSGUPXSA-N 1 1 332.404 1.868 20 5 EDBDMO COC(=O)C12CC(C1)C[N@@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595683433 449118147 /nfs/dbraw/zinc/11/81/47/449118147.db2.gz PLVNXUDNSKEIIS-UHFFFAOYSA-N 1 1 347.371 1.869 20 5 EDBDMO COC(=O)C12CC(C1)C[N@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595683433 449118151 /nfs/dbraw/zinc/11/81/51/449118151.db2.gz PLVNXUDNSKEIIS-UHFFFAOYSA-N 1 1 347.371 1.869 20 5 EDBDMO CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597945012 449154120 /nfs/dbraw/zinc/15/41/20/449154120.db2.gz GKBDSDKARMXSBI-MRXNPFEDSA-N 1 1 343.387 1.947 20 5 EDBDMO CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597946906 449155404 /nfs/dbraw/zinc/15/54/04/449155404.db2.gz SFTGITHMSOYKMN-CYBMUJFWSA-N 1 1 335.360 1.548 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595757581 449150195 /nfs/dbraw/zinc/15/01/95/449150195.db2.gz KSDDAUUWTPVNGI-PXAZEXFGSA-N 1 1 349.387 1.900 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595821129 449184667 /nfs/dbraw/zinc/18/46/67/449184667.db2.gz ARLOQLRVLJTEAL-HNNXBMFYSA-N 1 1 336.392 1.043 20 5 EDBDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595825158 449189402 /nfs/dbraw/zinc/18/94/02/449189402.db2.gz CGSKVIVEBYEALE-ZDUSSCGKSA-N 1 1 336.392 1.661 20 5 EDBDMO CN(c1ccccc1)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595827925 449190294 /nfs/dbraw/zinc/19/02/94/449190294.db2.gz SCPNZBMHSALDSY-INIZCTEOSA-N 1 1 342.399 1.967 20 5 EDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[C@]3(CO)C1)OCCO2 ZINC000600207856 449243994 /nfs/dbraw/zinc/24/39/94/449243994.db2.gz OSJHXBLQOZBUIA-SUMWQHHRSA-N 1 1 334.372 1.960 20 5 EDBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274881 449245861 /nfs/dbraw/zinc/24/58/61/449245861.db2.gz KSKDAGOLQHJTJZ-INIZCTEOSA-N 1 1 336.344 1.751 20 5 EDBDMO O=C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601973292 449254446 /nfs/dbraw/zinc/25/44/46/449254446.db2.gz JJPIMNMPBTUKSH-AOOOYVTPSA-N 1 1 325.752 1.765 20 5 EDBDMO O=C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601973292 449254449 /nfs/dbraw/zinc/25/44/49/449254449.db2.gz JJPIMNMPBTUKSH-AOOOYVTPSA-N 1 1 325.752 1.765 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2csc(N3CC([N@H+]4CC[C@@H](O)C4)C3)n2)cc1 ZINC000593503925 449311939 /nfs/dbraw/zinc/31/19/39/449311939.db2.gz MOBYACLQIPHUPF-CQSZACIVSA-N 1 1 346.412 1.974 20 5 EDBDMO COc1ccc(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000602078861 449327336 /nfs/dbraw/zinc/32/73/36/449327336.db2.gz AHXQPULTJIHPNE-WFASDCNBSA-N 1 1 335.360 1.083 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CCCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000594016647 449324337 /nfs/dbraw/zinc/32/43/37/449324337.db2.gz BIOIRQUFSROTGK-LBPRGKRZSA-N 1 1 337.376 1.779 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CCCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000594016647 449324345 /nfs/dbraw/zinc/32/43/45/449324345.db2.gz BIOIRQUFSROTGK-LBPRGKRZSA-N 1 1 337.376 1.779 20 5 EDBDMO Cc1cc(NC2CC[NH+](CC(=O)N(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596119190 449372054 /nfs/dbraw/zinc/37/20/54/449372054.db2.gz ANNWOOAMDSSHST-UHFFFAOYSA-N 1 1 326.422 1.929 20 5 EDBDMO COC(=O)[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000600523868 449424651 /nfs/dbraw/zinc/42/46/51/449424651.db2.gz WPBBKVMSXNKMTH-ZLENFMNRSA-N 1 1 349.387 1.439 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000598511891 449435519 /nfs/dbraw/zinc/43/55/19/449435519.db2.gz UGOQHNMFCIZKQR-OAHLLOKOSA-N 1 1 343.387 1.490 20 5 EDBDMO COC(=O)[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600536926 449430361 /nfs/dbraw/zinc/43/03/61/449430361.db2.gz LYYNVZUHVDVVIX-BDJLRTHQSA-N 1 1 335.360 1.051 20 5 EDBDMO Cc1nn(CCC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000600470171 449395464 /nfs/dbraw/zinc/39/54/64/449395464.db2.gz GWQYHJFGPYELHJ-OAHLLOKOSA-N 1 1 349.435 1.931 20 5 EDBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCCC[C@H]23)ncnc1N1CCOCC1 ZINC000598590574 449479658 /nfs/dbraw/zinc/47/96/58/449479658.db2.gz PACICIUKIINXQN-CHWSQXEVSA-N 1 1 348.407 1.260 20 5 EDBDMO C[C@@H]1C[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[N@H+]1C ZINC000598599432 449484485 /nfs/dbraw/zinc/48/44/85/449484485.db2.gz OBWNYFSRTNKGQQ-VXGBXAGGSA-N 1 1 336.396 1.116 20 5 EDBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000598512338 449436087 /nfs/dbraw/zinc/43/60/87/449436087.db2.gz XSUGLRDFHIWXOD-AWEZNQCLSA-N 1 1 343.387 1.641 20 5 EDBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000598512338 449436088 /nfs/dbraw/zinc/43/60/88/449436088.db2.gz XSUGLRDFHIWXOD-AWEZNQCLSA-N 1 1 343.387 1.641 20 5 EDBDMO CNc1nccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594417691 449504220 /nfs/dbraw/zinc/50/42/20/449504220.db2.gz FBKUBXJXILFYRL-OLZOCXBDSA-N 1 1 333.392 1.778 20 5 EDBDMO C[C@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592170 449586003 /nfs/dbraw/zinc/58/60/03/449586003.db2.gz NQCCSPBEQXASLG-UTUOFQBUSA-N 1 1 333.392 1.803 20 5 EDBDMO C[C@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592170 449586010 /nfs/dbraw/zinc/58/60/10/449586010.db2.gz NQCCSPBEQXASLG-UTUOFQBUSA-N 1 1 333.392 1.803 20 5 EDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600808820 449556326 /nfs/dbraw/zinc/55/63/26/449556326.db2.gz SEATXIVEJFSYGE-JTQLQIEISA-N 1 1 347.293 1.410 20 5 EDBDMO COc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000612104337 449563961 /nfs/dbraw/zinc/56/39/61/449563961.db2.gz NMBREKKCKOPMJC-CQSZACIVSA-N 1 1 347.371 1.870 20 5 EDBDMO [NH3+]CC(F)(F)CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602486188 449628008 /nfs/dbraw/zinc/62/80/08/449628008.db2.gz PVGPMIFXVIRJQR-UHFFFAOYSA-N 1 1 338.108 1.681 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594787711 449695881 /nfs/dbraw/zinc/69/58/81/449695881.db2.gz CUUPJRZJUFUWRA-GFCCVEGCSA-N 1 1 341.433 1.994 20 5 EDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000601163587 449726364 /nfs/dbraw/zinc/72/63/64/449726364.db2.gz KWNGMZWDMUBIMY-DTWKUNHWSA-N 1 1 349.313 1.256 20 5 EDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)nc1-c1ccc(F)cc1 ZINC000599175504 449780453 /nfs/dbraw/zinc/78/04/53/449780453.db2.gz DEBYICPINOCZLZ-CQSZACIVSA-N 1 1 346.362 2.274 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC(=O)NCc1cccs1 ZINC000602782981 449805700 /nfs/dbraw/zinc/80/57/00/449805700.db2.gz DGDTUEROVOMRAQ-UHFFFAOYSA-N 1 1 337.405 1.409 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC(=O)NCc1cccs1 ZINC000602782981 449805707 /nfs/dbraw/zinc/80/57/07/449805707.db2.gz DGDTUEROVOMRAQ-UHFFFAOYSA-N 1 1 337.405 1.409 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000602830206 449842020 /nfs/dbraw/zinc/84/20/20/449842020.db2.gz AQTRRJBBKQGNHK-CQSZACIVSA-N 1 1 332.408 1.959 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000595016729 449842357 /nfs/dbraw/zinc/84/23/57/449842357.db2.gz RZFIIHBADHWAEE-LBPRGKRZSA-N 1 1 336.392 1.028 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(=O)N1CC[NH+](C)CC1 ZINC000595016729 449842361 /nfs/dbraw/zinc/84/23/61/449842361.db2.gz RZFIIHBADHWAEE-LBPRGKRZSA-N 1 1 336.392 1.028 20 5 EDBDMO Cn1cc(C[N@@H+](C)C[C@@H]2COCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597204425 449868810 /nfs/dbraw/zinc/86/88/10/449868810.db2.gz BMPJFHZRQQHTDD-MRXNPFEDSA-N 1 1 346.387 1.843 20 5 EDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000609269502 449996504 /nfs/dbraw/zinc/99/65/04/449996504.db2.gz RVZXEJHRPWGNEO-LBPRGKRZSA-N 1 1 337.376 1.444 20 5 EDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000609269833 449995718 /nfs/dbraw/zinc/99/57/18/449995718.db2.gz XZLUKGLMIVABSR-CYBMUJFWSA-N 1 1 337.376 1.444 20 5 EDBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595294583 450010436 /nfs/dbraw/zinc/01/04/36/450010436.db2.gz PTWQOSSGIYQSTD-JQWIXIFHSA-N 1 1 340.380 1.254 20 5 EDBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595294583 450010441 /nfs/dbraw/zinc/01/04/41/450010441.db2.gz PTWQOSSGIYQSTD-JQWIXIFHSA-N 1 1 340.380 1.254 20 5 EDBDMO Cc1noc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1[N+](=O)[O-] ZINC000599545941 450051840 /nfs/dbraw/zinc/05/18/40/450051840.db2.gz ZUEDABZRRXGWCG-GFCCVEGCSA-N 1 1 325.365 1.645 20 5 EDBDMO Cc1noc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1[N+](=O)[O-] ZINC000599545941 450051843 /nfs/dbraw/zinc/05/18/43/450051843.db2.gz ZUEDABZRRXGWCG-GFCCVEGCSA-N 1 1 325.365 1.645 20 5 EDBDMO Cc1noc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c1[N+](=O)[O-] ZINC000599545946 450052158 /nfs/dbraw/zinc/05/21/58/450052158.db2.gz ZUEDABZRRXGWCG-LBPRGKRZSA-N 1 1 325.365 1.645 20 5 EDBDMO Cc1noc(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c1[N+](=O)[O-] ZINC000599545946 450052162 /nfs/dbraw/zinc/05/21/62/450052162.db2.gz ZUEDABZRRXGWCG-LBPRGKRZSA-N 1 1 325.365 1.645 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+]([C@H]4CCOC4)CC3)nc2c1 ZINC000618288416 450119425 /nfs/dbraw/zinc/11/94/25/450119425.db2.gz GPJATSXPCLUNED-ZDUSSCGKSA-N 1 1 331.376 1.378 20 5 EDBDMO CNc1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000597576697 450120913 /nfs/dbraw/zinc/12/09/13/450120913.db2.gz XTEQELNYFAHQMP-GXTWGEPZSA-N 1 1 336.367 1.895 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](CCCF)CC1 ZINC000599672669 450143098 /nfs/dbraw/zinc/14/30/98/450143098.db2.gz UGPUTYLBTRSEIS-UHFFFAOYSA-N 1 1 338.383 1.819 20 5 EDBDMO Cc1noc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)c1[N+](=O)[O-] ZINC000595464609 450160181 /nfs/dbraw/zinc/16/01/81/450160181.db2.gz CSCKLHFKDIVEEE-UHFFFAOYSA-N 1 1 332.364 1.782 20 5 EDBDMO Cc1noc(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1[N+](=O)[O-] ZINC000595464609 450160184 /nfs/dbraw/zinc/16/01/84/450160184.db2.gz CSCKLHFKDIVEEE-UHFFFAOYSA-N 1 1 332.364 1.782 20 5 EDBDMO C[N@H+]1CCC[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000618366884 450175465 /nfs/dbraw/zinc/17/54/65/450175465.db2.gz WTBOMZDFHJMGJN-JTQLQIEISA-N 1 1 332.364 1.365 20 5 EDBDMO CNc1ccc(C(=O)N2CC(C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000597681444 450191883 /nfs/dbraw/zinc/19/18/83/450191883.db2.gz BQAWPZCRYKZJCI-UHFFFAOYSA-N 1 1 334.376 1.041 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 ZINC000618584526 450253297 /nfs/dbraw/zinc/25/32/97/450253297.db2.gz SVLWKFUFZAZGHJ-AWEZNQCLSA-N 1 1 344.419 1.687 20 5 EDBDMO Cc1cc(NC[C@@]2(CO)COCC[NH2+]2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000603419654 450292625 /nfs/dbraw/zinc/29/26/25/450292625.db2.gz OZZCACKAYUENHG-CYBMUJFWSA-N 1 1 349.309 1.685 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000603431526 450299976 /nfs/dbraw/zinc/29/99/76/450299976.db2.gz ISDALDOTQKRPAW-UHFFFAOYSA-N 1 1 336.392 1.839 20 5 EDBDMO C[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000610899501 450373998 /nfs/dbraw/zinc/37/39/98/450373998.db2.gz JZCBUJOZYNRVMQ-SLEUVZQESA-N 1 1 336.392 1.674 20 5 EDBDMO C[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000610899501 450373999 /nfs/dbraw/zinc/37/39/99/450373999.db2.gz JZCBUJOZYNRVMQ-SLEUVZQESA-N 1 1 336.392 1.674 20 5 EDBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCO ZINC000187287975 533838056 /nfs/dbraw/zinc/83/80/56/533838056.db2.gz CYIGEWOLVFEYCC-NSHDSACASA-N 1 1 341.795 1.316 20 5 EDBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCO ZINC000187287975 533838062 /nfs/dbraw/zinc/83/80/62/533838062.db2.gz CYIGEWOLVFEYCC-NSHDSACASA-N 1 1 341.795 1.316 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184386142 534334935 /nfs/dbraw/zinc/33/49/35/534334935.db2.gz CQFZPKZRISAJLT-AWEZNQCLSA-N 1 1 334.420 1.659 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000173819764 534344296 /nfs/dbraw/zinc/34/42/96/534344296.db2.gz HJIZGXPFFOCXKW-OCCSQVGLSA-N 1 1 339.417 1.760 20 5 EDBDMO CC1(C)NC(=O)N(CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1=O ZINC000153275392 527789573 /nfs/dbraw/zinc/78/95/73/527789573.db2.gz ZZGXYAQTYNYPBR-UHFFFAOYSA-N 1 1 346.387 1.890 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000173739420 527824888 /nfs/dbraw/zinc/82/48/88/527824888.db2.gz QUFKUYLUDBKPAR-CYBMUJFWSA-N 1 1 348.403 1.642 20 5 EDBDMO CC(C)[N@@H+](CCc1nccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000159885445 528917011 /nfs/dbraw/zinc/91/70/11/528917011.db2.gz NYFAKZYSWAKCHK-ZDUSSCGKSA-N 1 1 339.421 1.562 20 5 EDBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270765777 535820095 /nfs/dbraw/zinc/82/00/95/535820095.db2.gz GPSHMAKPROKEDG-GFCCVEGCSA-N 1 1 337.424 1.959 20 5 EDBDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000264273563 536171559 /nfs/dbraw/zinc/17/15/59/536171559.db2.gz BKVLKQHYETVRBO-LLVKDONJSA-N 1 1 345.359 1.932 20 5 EDBDMO C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742197318 579439709 /nfs/dbraw/zinc/43/97/09/579439709.db2.gz VLVVFWGBLFJCHY-LBPRGKRZSA-N 1 1 329.360 1.557 20 5 EDBDMO C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000742197318 579439710 /nfs/dbraw/zinc/43/97/10/579439710.db2.gz VLVVFWGBLFJCHY-LBPRGKRZSA-N 1 1 329.360 1.557 20 5 EDBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000726867488 578364535 /nfs/dbraw/zinc/36/45/35/578364535.db2.gz JQTOJJUCSABXMU-LBPRGKRZSA-N 1 1 346.391 1.242 20 5 EDBDMO Cc1nccc(N2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000759890859 580018077 /nfs/dbraw/zinc/01/80/77/580018077.db2.gz APUDKXMXIKCZDD-INIZCTEOSA-N 1 1 343.387 1.549 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000732138450 578693208 /nfs/dbraw/zinc/69/32/08/578693208.db2.gz CMJDSWUGEOXWKK-OAHLLOKOSA-N 1 1 345.403 1.935 20 5 EDBDMO C[C@H]([C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+]1CCOCC1 ZINC000736139726 578956407 /nfs/dbraw/zinc/95/64/07/578956407.db2.gz QTKOQTQGUPDQLS-WDEREUQCSA-N 1 1 347.379 1.296 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777799472 580450632 /nfs/dbraw/zinc/45/06/32/580450632.db2.gz CZMVEPCXMCUXST-SECBINFHSA-N 1 1 333.373 1.566 20 5 EDBDMO COc1ccc(CC(=O)OCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000750884759 579785869 /nfs/dbraw/zinc/78/58/69/579785869.db2.gz GCAVJSVLSUAADO-UHFFFAOYSA-N 1 1 338.360 1.411 20 5 EDBDMO COC(=O)[C@@H]1C[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000755927165 579938402 /nfs/dbraw/zinc/93/84/02/579938402.db2.gz VFATYBQVGNAHJZ-BXUZGUMPSA-N 1 1 345.359 1.552 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000755927165 579938403 /nfs/dbraw/zinc/93/84/03/579938403.db2.gz VFATYBQVGNAHJZ-BXUZGUMPSA-N 1 1 345.359 1.552 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000776590133 580422878 /nfs/dbraw/zinc/42/28/78/580422878.db2.gz YKGPAQWFIAXZPD-RHSMWYFYSA-N 1 1 335.404 1.282 20 5 EDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000778943878 580476257 /nfs/dbraw/zinc/47/62/57/580476257.db2.gz DODNLTQKTOZMIL-UHFFFAOYSA-N 1 1 341.795 1.777 20 5 EDBDMO O=C(C[N@H+]1CC=CCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778967006 580477152 /nfs/dbraw/zinc/47/71/52/580477152.db2.gz GTPOABOMSJRWAN-UHFFFAOYSA-N 1 1 330.388 1.505 20 5 EDBDMO O=C(C[N@@H+]1CC=CCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778967006 580477153 /nfs/dbraw/zinc/47/71/53/580477153.db2.gz GTPOABOMSJRWAN-UHFFFAOYSA-N 1 1 330.388 1.505 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000779878822 580500724 /nfs/dbraw/zinc/50/07/24/580500724.db2.gz DYLFWPITHLTXOG-JTQLQIEISA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000779878822 580500725 /nfs/dbraw/zinc/50/07/25/580500725.db2.gz DYLFWPITHLTXOG-JTQLQIEISA-N 1 1 347.824 1.929 20 5 EDBDMO C[C@@H]1C[N@@H+](CCN(C)c2ccc([N+](=O)[O-])c3nonc32)C[C@H](C)O1 ZINC000788565510 580724661 /nfs/dbraw/zinc/72/46/61/580724661.db2.gz KQYLQWVBSNGQOO-PHIMTYICSA-N 1 1 335.364 1.676 20 5 EDBDMO C[C@@H]1C[N@H+](CCN(C)c2ccc([N+](=O)[O-])c3nonc32)C[C@H](C)O1 ZINC000788565510 580724662 /nfs/dbraw/zinc/72/46/62/580724662.db2.gz KQYLQWVBSNGQOO-PHIMTYICSA-N 1 1 335.364 1.676 20 5 EDBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796375434 580952483 /nfs/dbraw/zinc/95/24/83/580952483.db2.gz JBOGGBGCFIDAOF-COXVUDFISA-N 1 1 335.404 1.423 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000796581671 580957293 /nfs/dbraw/zinc/95/72/93/580957293.db2.gz GNCGSBNDJVFIBR-UHFFFAOYSA-N 1 1 348.403 1.832 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 ZINC000796607294 580957955 /nfs/dbraw/zinc/95/79/55/580957955.db2.gz RFXWDTYVMZZMKT-COXVUDFISA-N 1 1 336.388 1.898 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 ZINC000796607294 580957956 /nfs/dbraw/zinc/95/79/56/580957956.db2.gz RFXWDTYVMZZMKT-COXVUDFISA-N 1 1 336.388 1.898 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000891838294 590646263 /nfs/dbraw/zinc/64/62/63/590646263.db2.gz OIRXHNYRMVCKMM-UHFFFAOYSA-N 1 1 344.419 1.688 20 5 EDBDMO Cn1nc2c(c1C[N@H+]1CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C1)CCC2 ZINC000892079006 590787417 /nfs/dbraw/zinc/78/74/17/590787417.db2.gz VUTMIIVMKSYZMJ-GFCCVEGCSA-N 1 1 342.403 1.898 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000892145491 590821363 /nfs/dbraw/zinc/82/13/63/590821363.db2.gz SJBZXPLJLQFCGG-OLZOCXBDSA-N 1 1 346.362 1.979 20 5 EDBDMO Cn1c2ccccc2c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1=O ZINC000893549210 590953517 /nfs/dbraw/zinc/95/35/17/590953517.db2.gz NGXMSQSGSJCCEZ-TXEJJXNPSA-N 1 1 328.372 1.445 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000891532951 591109851 /nfs/dbraw/zinc/10/98/51/591109851.db2.gz PQVXNAQTOMEWHN-UHFFFAOYSA-N 1 1 331.376 1.529 20 5 EDBDMO C[N@@H+]1C[C@H]2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893937863 591143447 /nfs/dbraw/zinc/14/34/47/591143447.db2.gz AZRSRJRBACUROY-QMTHXVAHSA-N 1 1 325.390 1.139 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893937863 591143449 /nfs/dbraw/zinc/14/34/49/591143449.db2.gz AZRSRJRBACUROY-QMTHXVAHSA-N 1 1 325.390 1.139 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000892930037 591228604 /nfs/dbraw/zinc/22/86/04/591228604.db2.gz OAKRYWOBZWQVMP-DYVFJYSZSA-N 1 1 348.403 1.567 20 5 EDBDMO Cc1c(CC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cccc1[N+](=O)[O-] ZINC000899059352 591663631 /nfs/dbraw/zinc/66/36/31/591663631.db2.gz ITNORCZMCHCTEJ-UHFFFAOYSA-N 1 1 349.387 1.011 20 5 EDBDMO Cc1c(CC(=O)NCC[N@H+]2CCC3(C2)OCCO3)cccc1[N+](=O)[O-] ZINC000899059352 591663633 /nfs/dbraw/zinc/66/36/33/591663633.db2.gz ITNORCZMCHCTEJ-UHFFFAOYSA-N 1 1 349.387 1.011 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C[C@]2(C)C1 ZINC000896914449 591678072 /nfs/dbraw/zinc/67/80/72/591678072.db2.gz GZQLJUJUYBRMAN-PXAZEXFGSA-N 1 1 330.388 1.867 20 5 EDBDMO CC(C)Oc1nc(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000895247029 591679614 /nfs/dbraw/zinc/67/96/14/591679614.db2.gz GNENQQFAXJXBJJ-TZMCWYRMSA-N 1 1 337.424 1.823 20 5 EDBDMO CC(C)Oc1nc(N[C@H](C)[C@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000895247029 591679617 /nfs/dbraw/zinc/67/96/17/591679617.db2.gz GNENQQFAXJXBJJ-TZMCWYRMSA-N 1 1 337.424 1.823 20 5 EDBDMO CC(C)Oc1nc(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895247029 591679619 /nfs/dbraw/zinc/67/96/19/591679619.db2.gz GNENQQFAXJXBJJ-TZMCWYRMSA-N 1 1 337.424 1.823 20 5 EDBDMO CC(C)Oc1nc(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895247029 591679622 /nfs/dbraw/zinc/67/96/22/591679622.db2.gz GNENQQFAXJXBJJ-TZMCWYRMSA-N 1 1 337.424 1.823 20 5 EDBDMO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000902641069 592034568 /nfs/dbraw/zinc/03/45/68/592034568.db2.gz URRMUVWLOPPKRU-DLBZAZTESA-N 1 1 345.403 1.433 20 5 EDBDMO CC1(C)CC[N@@H+](CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000908086718 592295041 /nfs/dbraw/zinc/29/50/41/592295041.db2.gz XOAHBHVDXBRXTP-UHFFFAOYSA-N 1 1 345.396 1.744 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000908139495 592349051 /nfs/dbraw/zinc/34/90/51/592349051.db2.gz FVZZIQJDBPOZTM-SECBINFHSA-N 1 1 326.784 1.997 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000908139495 592349054 /nfs/dbraw/zinc/34/90/54/592349054.db2.gz FVZZIQJDBPOZTM-SECBINFHSA-N 1 1 326.784 1.997 20 5 EDBDMO CC[NH+]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC000905019527 592369809 /nfs/dbraw/zinc/36/98/09/592369809.db2.gz IEKLCZLRRMJQOZ-UHFFFAOYSA-N 1 1 335.360 1.534 20 5 EDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000888286071 592933798 /nfs/dbraw/zinc/93/37/98/592933798.db2.gz FMGDQPUSWLNXCT-UHFFFAOYSA-N 1 1 342.783 1.698 20 5 EDBDMO C[C@@H]1CN(Cn2cc(Br)c([N+](=O)[O-])n2)C[C@H](C)[N@@H+]1C ZINC000840091111 593165744 /nfs/dbraw/zinc/16/57/44/593165744.db2.gz ZIFLAHLZRDEWRU-DTORHVGOSA-N 1 1 332.202 1.536 20 5 EDBDMO COC[C@]1(C)CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840104226 593184231 /nfs/dbraw/zinc/18/42/31/593184231.db2.gz KLPQFZKAKJBQMD-DLBZAZTESA-N 1 1 349.387 1.848 20 5 EDBDMO COC[C@]1(C)CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840104226 593184235 /nfs/dbraw/zinc/18/42/35/593184235.db2.gz KLPQFZKAKJBQMD-DLBZAZTESA-N 1 1 349.387 1.848 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)CC[C@H]21 ZINC000794635243 593184211 /nfs/dbraw/zinc/18/42/11/593184211.db2.gz VANWPYQZSURQBD-QWHCGFSZSA-N 1 1 346.387 1.876 20 5 EDBDMO Cc1nn(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c(C)c1[N+](=O)[O-] ZINC000840107006 593186960 /nfs/dbraw/zinc/18/69/60/593186960.db2.gz FIQJPZQJMQNANG-CYBMUJFWSA-N 1 1 337.424 1.979 20 5 EDBDMO Cc1nn(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c(C)c1[N+](=O)[O-] ZINC000840107006 593186961 /nfs/dbraw/zinc/18/69/61/593186961.db2.gz FIQJPZQJMQNANG-CYBMUJFWSA-N 1 1 337.424 1.979 20 5 EDBDMO CC(C)(CO)[NH+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000867015193 593350928 /nfs/dbraw/zinc/35/09/28/593350928.db2.gz BHTULSYLXVKUDD-UHFFFAOYSA-N 1 1 339.367 1.192 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000813741569 593552795 /nfs/dbraw/zinc/55/27/95/593552795.db2.gz RFDRTSUAAQKXBX-ONGXEEELSA-N 1 1 329.353 1.059 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)n1C ZINC000816924231 593559270 /nfs/dbraw/zinc/55/92/70/593559270.db2.gz GAUXXVANFORKHH-UHFFFAOYSA-N 1 1 337.767 1.978 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000817373849 593598362 /nfs/dbraw/zinc/59/83/62/593598362.db2.gz OWHUNRUHBASNOL-CQSZACIVSA-N 1 1 330.392 1.837 20 5 EDBDMO C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000815065941 593613042 /nfs/dbraw/zinc/61/30/42/593613042.db2.gz SUYQQUMXUWZTDT-ZDUSSCGKSA-N 1 1 345.446 1.763 20 5 EDBDMO C[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C[C@H](C)[N@H+]1C ZINC000818626315 593708561 /nfs/dbraw/zinc/70/85/61/593708561.db2.gz UXHMGVJQPFNNEV-OZVIIMIRSA-N 1 1 346.387 1.639 20 5 EDBDMO C[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C[C@H](C)[N@@H+]1C ZINC000818626315 593708562 /nfs/dbraw/zinc/70/85/62/593708562.db2.gz UXHMGVJQPFNNEV-OZVIIMIRSA-N 1 1 346.387 1.639 20 5 EDBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)c2c1 ZINC000819896004 593774945 /nfs/dbraw/zinc/77/49/45/593774945.db2.gz DHSWDMFABOLIKS-CQSZACIVSA-N 1 1 327.348 1.831 20 5 EDBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@@H](n4ccnn4)C3)c2c1 ZINC000819896004 593774946 /nfs/dbraw/zinc/77/49/46/593774946.db2.gz DHSWDMFABOLIKS-CQSZACIVSA-N 1 1 327.348 1.831 20 5 EDBDMO CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821332462 594020077 /nfs/dbraw/zinc/02/00/77/594020077.db2.gz PVHCHBHNIYYKRK-BNOWGMLFSA-N 1 1 346.387 1.332 20 5 EDBDMO CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821332462 594020079 /nfs/dbraw/zinc/02/00/79/594020079.db2.gz PVHCHBHNIYYKRK-BNOWGMLFSA-N 1 1 346.387 1.332 20 5 EDBDMO Cc1ccccc1[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000825180257 594142768 /nfs/dbraw/zinc/14/27/68/594142768.db2.gz KULAVFFJFBXRLB-INIZCTEOSA-N 1 1 343.387 1.663 20 5 EDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000827739228 594268837 /nfs/dbraw/zinc/26/88/37/594268837.db2.gz LQAHCSUKYVMSKV-WDEREUQCSA-N 1 1 338.383 1.965 20 5 EDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000827739228 594268838 /nfs/dbraw/zinc/26/88/38/594268838.db2.gz LQAHCSUKYVMSKV-WDEREUQCSA-N 1 1 338.383 1.965 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000826750814 594569715 /nfs/dbraw/zinc/56/97/15/594569715.db2.gz JPHGIJAYYQGFJP-AWEZNQCLSA-N 1 1 335.408 1.338 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000827329412 594661510 /nfs/dbraw/zinc/66/15/10/594661510.db2.gz GLWLETLGJMFDIH-RISCZKNCSA-N 1 1 337.351 1.665 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000867396186 595065356 /nfs/dbraw/zinc/06/53/56/595065356.db2.gz VYGNGXLYRCPDSU-JTQLQIEISA-N 1 1 333.435 1.761 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000867396186 595065361 /nfs/dbraw/zinc/06/53/61/595065361.db2.gz VYGNGXLYRCPDSU-JTQLQIEISA-N 1 1 333.435 1.761 20 5 EDBDMO COc1cc(OCC(=O)OC[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000845815883 595072147 /nfs/dbraw/zinc/07/21/47/595072147.db2.gz JKZNOOYHOXVCRD-NEPJUHHUSA-N 1 1 338.360 1.866 20 5 EDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000842826288 595210385 /nfs/dbraw/zinc/21/03/85/595210385.db2.gz KOYGJZJLPISXCU-LLVKDONJSA-N 1 1 345.396 1.805 20 5 EDBDMO C[C@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000845225765 595464217 /nfs/dbraw/zinc/46/42/17/595464217.db2.gz YDLYJRLTWNCOIC-XHDPSFHLSA-N 1 1 334.376 1.116 20 5 EDBDMO C[C@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000845225765 595464218 /nfs/dbraw/zinc/46/42/18/595464218.db2.gz YDLYJRLTWNCOIC-XHDPSFHLSA-N 1 1 334.376 1.116 20 5 EDBDMO O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000117102220 595531790 /nfs/dbraw/zinc/53/17/90/595531790.db2.gz JECRPONOGIBMFV-ZDUSSCGKSA-N 1 1 331.332 1.004 20 5 EDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854955415 595543523 /nfs/dbraw/zinc/54/35/23/595543523.db2.gz VIBBAPGCLATCOJ-QWRGUYRKSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854955415 595543525 /nfs/dbraw/zinc/54/35/25/595543525.db2.gz VIBBAPGCLATCOJ-QWRGUYRKSA-N 1 1 325.340 1.261 20 5 EDBDMO C[N@H+](C[C@H]1COCCO1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000853557212 595801888 /nfs/dbraw/zinc/80/18/88/595801888.db2.gz JJALDSNMTGOSKB-AWEZNQCLSA-N 1 1 332.360 1.763 20 5 EDBDMO C[N@@H+](C[C@H]1COCCO1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000853557212 595801893 /nfs/dbraw/zinc/80/18/93/595801893.db2.gz JJALDSNMTGOSKB-AWEZNQCLSA-N 1 1 332.360 1.763 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000861033455 595870795 /nfs/dbraw/zinc/87/07/95/595870795.db2.gz MERWUZJCCGMNDL-AWEZNQCLSA-N 1 1 338.360 1.628 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859272123 596026099 /nfs/dbraw/zinc/02/60/99/596026099.db2.gz MXKDRWSHDXZNQK-JTQLQIEISA-N 1 1 327.768 1.699 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865414354 596566989 /nfs/dbraw/zinc/56/69/89/596566989.db2.gz PSVBBIHQUVZJSX-ZDUSSCGKSA-N 1 1 341.383 1.995 20 5 EDBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H](O)C[NH+]1CCCC1 ZINC000866240966 596836453 /nfs/dbraw/zinc/83/64/53/596836453.db2.gz RULHBOBOMMNBRL-WFASDCNBSA-N 1 1 325.384 1.711 20 5 EDBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)CN1CCCC1 ZINC000866240966 596836455 /nfs/dbraw/zinc/83/64/55/596836455.db2.gz RULHBOBOMMNBRL-WFASDCNBSA-N 1 1 325.384 1.711 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000874366389 597038718 /nfs/dbraw/zinc/03/87/18/597038718.db2.gz HSHYVFQDGHSQFW-HUUCEWRRSA-N 1 1 346.387 1.537 20 5 EDBDMO C[C@@H](NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000872946051 597135482 /nfs/dbraw/zinc/13/54/82/597135482.db2.gz HUTLFTZSPHOKEI-TYNCELHUSA-N 1 1 336.392 1.674 20 5 EDBDMO C[C@@H](NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000872946051 597135484 /nfs/dbraw/zinc/13/54/84/597135484.db2.gz HUTLFTZSPHOKEI-TYNCELHUSA-N 1 1 336.392 1.674 20 5 EDBDMO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873136239 597207807 /nfs/dbraw/zinc/20/78/07/597207807.db2.gz XTCTWJMCAUEQSN-OCCSQVGLSA-N 1 1 328.390 1.113 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000876581980 597248926 /nfs/dbraw/zinc/24/89/26/597248926.db2.gz SNAPYIXXDAXUBK-CYBMUJFWSA-N 1 1 341.433 1.725 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000876581980 597248927 /nfs/dbraw/zinc/24/89/27/597248927.db2.gz SNAPYIXXDAXUBK-CYBMUJFWSA-N 1 1 341.433 1.725 20 5 EDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000878360043 597597672 /nfs/dbraw/zinc/59/76/72/597597672.db2.gz XMGDESGECIBDDK-GFCCVEGCSA-N 1 1 349.387 1.828 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]21 ZINC000879578722 597640741 /nfs/dbraw/zinc/64/07/41/597640741.db2.gz VOWWQPQUIQTWBN-XOKHGSTOSA-N 1 1 344.415 1.726 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 ZINC000879129825 597828244 /nfs/dbraw/zinc/82/82/44/597828244.db2.gz MTJJPOZSUKLNGO-KZNAEPCWSA-N 1 1 344.367 1.752 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000879129460 597828507 /nfs/dbraw/zinc/82/85/07/597828507.db2.gz GWLGBQQCCVRYBX-KZNAEPCWSA-N 1 1 344.367 1.752 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCn3cnc(C(F)(F)F)c3C2)n1 ZINC000880270421 597888842 /nfs/dbraw/zinc/88/88/42/597888842.db2.gz ZWJKOXFCNSHZII-UHFFFAOYSA-N 1 1 330.270 1.522 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCn3cnc(C(F)(F)F)c3C2)n1 ZINC000880270421 597888843 /nfs/dbraw/zinc/88/88/43/597888843.db2.gz ZWJKOXFCNSHZII-UHFFFAOYSA-N 1 1 330.270 1.522 20 5 EDBDMO CO[C@H]1COCC[C@H]1[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000880431045 597931670 /nfs/dbraw/zinc/93/16/70/597931670.db2.gz XZSLDPNWSKGLNH-CABCVRRESA-N 1 1 337.376 1.577 20 5 EDBDMO CO[C@H]1COCC[C@H]1[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000880431045 597931672 /nfs/dbraw/zinc/93/16/72/597931672.db2.gz XZSLDPNWSKGLNH-CABCVRRESA-N 1 1 337.376 1.577 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880584179 597970882 /nfs/dbraw/zinc/97/08/82/597970882.db2.gz GEWDPMFWIXPHAM-HNNXBMFYSA-N 1 1 336.388 1.967 20 5 EDBDMO O=[N+]([O-])c1ccc(Cn2cc(CCC[NH+]3CCOCC3)nn2)c(F)c1 ZINC000881306466 598122020 /nfs/dbraw/zinc/12/20/20/598122020.db2.gz JJXPQYOOHHXGJW-UHFFFAOYSA-N 1 1 349.366 1.639 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000919853154 697349876 /nfs/dbraw/zinc/34/98/76/697349876.db2.gz CAUWIIZFBFPJJP-WDEREUQCSA-N 1 1 343.380 1.591 20 5 EDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000919853154 697349879 /nfs/dbraw/zinc/34/98/79/697349879.db2.gz CAUWIIZFBFPJJP-WDEREUQCSA-N 1 1 343.380 1.591 20 5 EDBDMO O=C(NCC1C[NH+](Cc2cccc3cccnc32)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661573 697438955 /nfs/dbraw/zinc/43/89/55/697438955.db2.gz CHRPMNSXQSGVNX-HZPDHXFCSA-N 1 1 340.383 1.448 20 5 EDBDMO CC1([NH2+]Cc2ccc(F)cc2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940107997 700219950 /nfs/dbraw/zinc/21/99/50/700219950.db2.gz VBVHHTZYPOBLEY-HUUCEWRRSA-N 1 1 335.379 1.962 20 5 EDBDMO Cc1n[nH]cc1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001031888769 700646085 /nfs/dbraw/zinc/64/60/85/700646085.db2.gz NYSLAKFIOAKJOY-UHFFFAOYSA-N 1 1 329.360 1.488 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001031907306 700867179 /nfs/dbraw/zinc/86/71/79/700867179.db2.gz DDPCUOLIRKBBNL-FOLVSLTJSA-N 1 1 331.372 1.035 20 5 EDBDMO CCc1ccccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429326 702783509 /nfs/dbraw/zinc/78/35/09/702783509.db2.gz POIZSQSHSQLPGL-IAGOWNOFSA-N 1 1 331.416 1.995 20 5 EDBDMO C[N@H+]1CC[C@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000921838302 708148988 /nfs/dbraw/zinc/14/89/88/708148988.db2.gz UADYAUIZIVLSEP-LBPRGKRZSA-N 1 1 326.784 1.794 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000173741456 231020259 /nfs/dbraw/zinc/02/02/59/231020259.db2.gz RXZHFDGRKWISBK-QGZVFWFLSA-N 1 1 346.387 1.770 20 5 EDBDMO COCC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478457 306299718 /nfs/dbraw/zinc/29/97/18/306299718.db2.gz HNJWCJDCYWGNJZ-DZGCQCFKSA-N 1 1 325.409 1.493 20 5 EDBDMO COCCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478457 306299719 /nfs/dbraw/zinc/29/97/19/306299719.db2.gz HNJWCJDCYWGNJZ-DZGCQCFKSA-N 1 1 325.409 1.493 20 5 EDBDMO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184207316 235332834 /nfs/dbraw/zinc/33/28/34/235332834.db2.gz XCVSQKWLSARPNC-ZDUSSCGKSA-N 1 1 341.433 1.889 20 5 EDBDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090565271 138279561 /nfs/dbraw/zinc/27/95/61/138279561.db2.gz YROAKKJKRBIWQN-AWEZNQCLSA-N 1 1 331.376 1.499 20 5 EDBDMO C[C@@H](O)C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000111288179 138308432 /nfs/dbraw/zinc/30/84/32/138308432.db2.gz QCWIYRGERNWOBQ-WBMJQRKESA-N 1 1 333.388 1.793 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@](C)(O)C1 ZINC000124446362 138326595 /nfs/dbraw/zinc/32/65/95/138326595.db2.gz DGFGYSPSYWZPAR-MRXNPFEDSA-N 1 1 337.376 1.779 20 5 EDBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)CN1 ZINC000125174920 138332606 /nfs/dbraw/zinc/33/26/06/138332606.db2.gz LGUYAGXWOCKJOM-CZUORRHYSA-N 1 1 333.388 1.964 20 5 EDBDMO COC(=O)[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413491283 304062813 /nfs/dbraw/zinc/06/28/13/304062813.db2.gz AWGQIOLMNIUNJY-SECBINFHSA-N 1 1 328.756 1.184 20 5 EDBDMO COC(=O)[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413491283 304062814 /nfs/dbraw/zinc/06/28/14/304062814.db2.gz AWGQIOLMNIUNJY-SECBINFHSA-N 1 1 328.756 1.184 20 5 EDBDMO NC(=O)c1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363414786 283379680 /nfs/dbraw/zinc/37/96/80/283379680.db2.gz RKWUZUHZALAIOQ-IHRRRGAJSA-N 1 1 330.388 1.614 20 5 EDBDMO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181677207 138770356 /nfs/dbraw/zinc/77/03/56/138770356.db2.gz NIMPOFPBISHRDK-ZIAGYGMSSA-N 1 1 349.435 1.951 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC[N@H+](C)C1 ZINC000413915624 304089196 /nfs/dbraw/zinc/08/91/96/304089196.db2.gz HXAPTCOUTFNUHC-GFCCVEGCSA-N 1 1 335.360 1.080 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC[N@@H+](C)C1 ZINC000413915624 304089197 /nfs/dbraw/zinc/08/91/97/304089197.db2.gz HXAPTCOUTFNUHC-GFCCVEGCSA-N 1 1 335.360 1.080 20 5 EDBDMO C[C@H]([C@H](C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000209838672 241072775 /nfs/dbraw/zinc/07/27/75/241072775.db2.gz KNISOJUZRLEVPN-UIKBEFBESA-N 1 1 333.388 1.833 20 5 EDBDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000110650290 220053407 /nfs/dbraw/zinc/05/34/07/220053407.db2.gz RGGFUXGNWDWOMD-NSHDSACASA-N 1 1 336.348 1.801 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000111265596 220127206 /nfs/dbraw/zinc/12/72/06/220127206.db2.gz YKJZRNOSYXFJCW-RYUDHWBXSA-N 1 1 334.376 1.380 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000111265596 220127210 /nfs/dbraw/zinc/12/72/10/220127210.db2.gz YKJZRNOSYXFJCW-RYUDHWBXSA-N 1 1 334.376 1.380 20 5 EDBDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246738905 139119641 /nfs/dbraw/zinc/11/96/41/139119641.db2.gz NVJWNKXEFREBAE-WBVHZDCISA-N 1 1 346.387 1.998 20 5 EDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000246907859 139126446 /nfs/dbraw/zinc/12/64/46/139126446.db2.gz XXFFSRWUHMXJTM-XEZPLFJOSA-N 1 1 333.388 1.935 20 5 EDBDMO Cc1nn(CCC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000247470430 139149426 /nfs/dbraw/zinc/14/94/26/139149426.db2.gz RUCVRAFSODLENL-BXUZGUMPSA-N 1 1 337.424 1.597 20 5 EDBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000012141387 211303477 /nfs/dbraw/zinc/30/34/77/211303477.db2.gz MUINRALYKONYEL-UHFFFAOYSA-N 1 1 333.797 1.622 20 5 EDBDMO N[C@@H]1CCCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000424329528 252195948 /nfs/dbraw/zinc/19/59/48/252195948.db2.gz GTPFGPRDRCMLRI-CHWSQXEVSA-N 1 1 334.376 1.752 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000426202321 252324154 /nfs/dbraw/zinc/32/41/54/252324154.db2.gz FFJISVTVSSILIO-GFCCVEGCSA-N 1 1 337.376 1.779 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000426202321 252324155 /nfs/dbraw/zinc/32/41/55/252324155.db2.gz FFJISVTVSSILIO-GFCCVEGCSA-N 1 1 337.376 1.779 20 5 EDBDMO CC[C@@H](C)[NH+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000450858581 254695633 /nfs/dbraw/zinc/69/56/33/254695633.db2.gz LORNAXLLDZYXHP-LLVKDONJSA-N 1 1 342.421 1.163 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459801660 255003218 /nfs/dbraw/zinc/00/32/18/255003218.db2.gz LHLXTLOVEOWTJU-HRCADAONSA-N 1 1 338.408 1.025 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000493643034 255217965 /nfs/dbraw/zinc/21/79/65/255217965.db2.gz BLSHFDQTONJJLJ-WJDZFGBRSA-N 1 1 333.388 1.522 20 5 EDBDMO COC(=O)[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000493249786 255199579 /nfs/dbraw/zinc/19/95/79/255199579.db2.gz CNAOPHIRNHOQLK-UZYOAWRESA-N 1 1 347.371 1.171 20 5 EDBDMO O=C1OCCN1C[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000495978732 255336528 /nfs/dbraw/zinc/33/65/28/255336528.db2.gz DAMCCFRDVXJNOT-GFCCVEGCSA-N 1 1 345.359 1.676 20 5 EDBDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000495978732 255336529 /nfs/dbraw/zinc/33/65/29/255336529.db2.gz DAMCCFRDVXJNOT-GFCCVEGCSA-N 1 1 345.359 1.676 20 5 EDBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000119094229 221243447 /nfs/dbraw/zinc/24/34/47/221243447.db2.gz UAJAHJMMMKOLJT-UHFFFAOYSA-N 1 1 338.389 1.811 20 5 EDBDMO COC(=O)c1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000570671619 306547641 /nfs/dbraw/zinc/54/76/41/306547641.db2.gz RHFXWDWSHKOUOD-UHFFFAOYSA-N 1 1 345.359 1.810 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173255208 285398670 /nfs/dbraw/zinc/39/86/70/285398670.db2.gz XQRJGEAYPQWPDB-OLZOCXBDSA-N 1 1 341.433 1.946 20 5 EDBDMO C[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000183553425 533343506 /nfs/dbraw/zinc/34/35/06/533343506.db2.gz IABYGXPIKICLPT-JTQLQIEISA-N 1 1 332.364 1.046 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000331367769 141012323 /nfs/dbraw/zinc/01/23/23/141012323.db2.gz BOMKPKVUSWTBFU-IAQYHMDHSA-N 1 1 339.417 1.497 20 5 EDBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331961803 141103605 /nfs/dbraw/zinc/10/36/05/141103605.db2.gz BCMBFRAMKARZMC-OWCLPIDISA-N 1 1 349.431 1.893 20 5 EDBDMO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331961803 141103606 /nfs/dbraw/zinc/10/36/06/141103606.db2.gz BCMBFRAMKARZMC-OWCLPIDISA-N 1 1 349.431 1.893 20 5 EDBDMO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331961803 141103608 /nfs/dbraw/zinc/10/36/08/141103608.db2.gz BCMBFRAMKARZMC-OWCLPIDISA-N 1 1 349.431 1.893 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCCO)CC1 ZINC000339827669 142169879 /nfs/dbraw/zinc/16/98/79/142169879.db2.gz KPOVRFJMRBFBKM-GFCCVEGCSA-N 1 1 337.376 1.395 20 5 EDBDMO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(N)=O ZINC000346679335 143230796 /nfs/dbraw/zinc/23/07/96/143230796.db2.gz ZGTLNVCIJABHNK-WPRPVWTQSA-N 1 1 340.767 1.240 20 5 EDBDMO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(N)=O ZINC000346679335 143230797 /nfs/dbraw/zinc/23/07/97/143230797.db2.gz ZGTLNVCIJABHNK-WPRPVWTQSA-N 1 1 340.767 1.240 20 5 EDBDMO CC[N@H+]1CC[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000347071797 143278930 /nfs/dbraw/zinc/27/89/30/143278930.db2.gz AHBRNUXUCOEMIO-CYBMUJFWSA-N 1 1 327.406 1.151 20 5 EDBDMO COc1cc(C(=O)N2CC[C@H]([N@@H+](C)CCO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000347176260 143291363 /nfs/dbraw/zinc/29/13/63/143291363.db2.gz SAFVCQNBCUBXQD-YPMHNXCESA-N 1 1 337.376 1.131 20 5 EDBDMO O=C([C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CCNCC1 ZINC000347197960 143293831 /nfs/dbraw/zinc/29/38/31/143293831.db2.gz IIRUBDGFULVFMC-OAHLLOKOSA-N 1 1 332.404 1.239 20 5 EDBDMO O=C([C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CCNCC1 ZINC000347197960 143293832 /nfs/dbraw/zinc/29/38/32/143293832.db2.gz IIRUBDGFULVFMC-OAHLLOKOSA-N 1 1 332.404 1.239 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000347804972 143365325 /nfs/dbraw/zinc/36/53/25/143365325.db2.gz JDUJEEYQJOLIHZ-UHFFFAOYSA-N 1 1 347.318 1.240 20 5 EDBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000416497349 304325581 /nfs/dbraw/zinc/32/55/81/304325581.db2.gz SQYBRTUXOFMCGT-CYBMUJFWSA-N 1 1 327.406 1.008 20 5 EDBDMO COc1cc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000352873414 149198136 /nfs/dbraw/zinc/19/81/36/149198136.db2.gz GPHRWNHUCOKPRS-HIFRSBDPSA-N 1 1 335.404 1.898 20 5 EDBDMO CC(C)(C)OC[C@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369974940 155261823 /nfs/dbraw/zinc/26/18/23/155261823.db2.gz QQBWIFMCIZRNSN-GXTWGEPZSA-N 1 1 326.397 1.604 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+](C[C@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000355762845 150390849 /nfs/dbraw/zinc/39/08/49/150390849.db2.gz UBXOGLQCOPTYKS-LBPRGKRZSA-N 1 1 340.376 1.738 20 5 EDBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357543203 151061927 /nfs/dbraw/zinc/06/19/27/151061927.db2.gz BGAKMJWLAYRDRU-SECBINFHSA-N 1 1 336.373 1.691 20 5 EDBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357543203 151061929 /nfs/dbraw/zinc/06/19/29/151061929.db2.gz BGAKMJWLAYRDRU-SECBINFHSA-N 1 1 336.373 1.691 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000417075557 304369942 /nfs/dbraw/zinc/36/99/42/304369942.db2.gz VFSIUPYAABOMGC-WDEREUQCSA-N 1 1 340.355 1.653 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000417075557 304369943 /nfs/dbraw/zinc/36/99/43/304369943.db2.gz VFSIUPYAABOMGC-WDEREUQCSA-N 1 1 340.355 1.653 20 5 EDBDMO C[N@H+]1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000358310433 151332257 /nfs/dbraw/zinc/33/22/57/151332257.db2.gz QXANCQVIXMESKC-LLVKDONJSA-N 1 1 331.170 1.231 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000370091307 155320619 /nfs/dbraw/zinc/32/06/19/155320619.db2.gz BDHYCFYEUVKYPG-UHFFFAOYSA-N 1 1 335.404 1.822 20 5 EDBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])nn3C)sc2C1 ZINC000360425404 152035485 /nfs/dbraw/zinc/03/54/85/152035485.db2.gz BHGMDORRXNZEMB-UHFFFAOYSA-N 1 1 336.377 1.415 20 5 EDBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])nn3C)sc2C1 ZINC000360425404 152035486 /nfs/dbraw/zinc/03/54/86/152035486.db2.gz BHGMDORRXNZEMB-UHFFFAOYSA-N 1 1 336.377 1.415 20 5 EDBDMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000361377839 152376440 /nfs/dbraw/zinc/37/64/40/152376440.db2.gz KUQJTZNGZSPGRM-HUUCEWRRSA-N 1 1 349.435 1.965 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000370152932 155351897 /nfs/dbraw/zinc/35/18/97/155351897.db2.gz WNJCHHXTFIPLFP-UKPHBRMFSA-N 1 1 335.404 1.361 20 5 EDBDMO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000364959778 153383757 /nfs/dbraw/zinc/38/37/57/153383757.db2.gz YDGBSRFJPJEJHJ-VVLHAWIVSA-N 1 1 331.416 1.850 20 5 EDBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2cccnc21 ZINC000365003488 153395638 /nfs/dbraw/zinc/39/56/38/153395638.db2.gz QUENTSZQTWXJEJ-HZPDHXFCSA-N 1 1 345.403 1.947 20 5 EDBDMO Cn1cnc2c(c1=O)CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000367382820 154098517 /nfs/dbraw/zinc/09/85/17/154098517.db2.gz ZPPGQIVRCDSGML-UHFFFAOYSA-N 1 1 330.344 1.126 20 5 EDBDMO Cn1cnc2c(c1=O)CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000367382820 154098522 /nfs/dbraw/zinc/09/85/22/154098522.db2.gz ZPPGQIVRCDSGML-UHFFFAOYSA-N 1 1 330.344 1.126 20 5 EDBDMO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCN2C1=O ZINC000368019050 154371445 /nfs/dbraw/zinc/37/14/45/154371445.db2.gz JLHCJHAUGYVGTO-WFASDCNBSA-N 1 1 346.387 1.933 20 5 EDBDMO CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCN2C1=O ZINC000368019050 154371447 /nfs/dbraw/zinc/37/14/47/154371447.db2.gz JLHCJHAUGYVGTO-WFASDCNBSA-N 1 1 346.387 1.933 20 5 EDBDMO CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000369563753 155089884 /nfs/dbraw/zinc/08/98/84/155089884.db2.gz DTKFAEJNFVDTES-LLVKDONJSA-N 1 1 329.360 1.708 20 5 EDBDMO Cc1ccc(CN2CC[NH+]([C@H]3CCCCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000372397356 156371419 /nfs/dbraw/zinc/37/14/19/156371419.db2.gz CTTOGTRCMWLFIJ-INIZCTEOSA-N 1 1 346.431 1.690 20 5 EDBDMO Cc1cc(N2CC[N@H+](C[C@H]3CN(C)CCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000374153084 157167761 /nfs/dbraw/zinc/16/77/61/157167761.db2.gz FBNUACZZZQVPKS-NVXWUHKLSA-N 1 1 348.447 1.744 20 5 EDBDMO CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378144301 158091295 /nfs/dbraw/zinc/09/12/95/158091295.db2.gz TWWDYLJUUNHRMD-HNNXBMFYSA-N 1 1 347.419 1.230 20 5 EDBDMO CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378144301 158091296 /nfs/dbraw/zinc/09/12/96/158091296.db2.gz TWWDYLJUUNHRMD-HNNXBMFYSA-N 1 1 347.419 1.230 20 5 EDBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCCOC1 ZINC000352185234 162036546 /nfs/dbraw/zinc/03/65/46/162036546.db2.gz AWWFGKBBDIOGHS-JTQLQIEISA-N 1 1 337.332 1.373 20 5 EDBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCCOC1 ZINC000352185234 162036547 /nfs/dbraw/zinc/03/65/47/162036547.db2.gz AWWFGKBBDIOGHS-JTQLQIEISA-N 1 1 337.332 1.373 20 5 EDBDMO CCOc1cc(C(=O)NC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC000194724596 273005707 /nfs/dbraw/zinc/00/57/07/273005707.db2.gz KNROQRDHMQZWOY-LLVKDONJSA-N 1 1 337.376 1.826 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000273058448 273026211 /nfs/dbraw/zinc/02/62/11/273026211.db2.gz CSAFRIWGSRTYPP-AWEZNQCLSA-N 1 1 331.376 1.507 20 5 EDBDMO Cc1c(F)cc(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000274648568 268176325 /nfs/dbraw/zinc/17/63/25/268176325.db2.gz GRRJDYDGNKNAFS-LLVKDONJSA-N 1 1 345.396 1.615 20 5 EDBDMO COCCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000275500136 268352059 /nfs/dbraw/zinc/35/20/59/268352059.db2.gz GVGKZXRKBXIWAY-HNNXBMFYSA-N 1 1 338.360 1.699 20 5 EDBDMO COCCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000275500136 268352061 /nfs/dbraw/zinc/35/20/61/268352061.db2.gz GVGKZXRKBXIWAY-HNNXBMFYSA-N 1 1 338.360 1.699 20 5 EDBDMO COc1ccc(OCC[N@@H+](C)CC2(O)CCOCC2)c([N+](=O)[O-])c1 ZINC000275508162 268353063 /nfs/dbraw/zinc/35/30/63/268353063.db2.gz HTDDRAWVZUDNTK-UHFFFAOYSA-N 1 1 340.376 1.456 20 5 EDBDMO O=C(C[N@@H+](CCO)C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000275879428 268380954 /nfs/dbraw/zinc/38/09/54/268380954.db2.gz QBNFJWCSDJVPSC-UHFFFAOYSA-N 1 1 337.332 1.109 20 5 EDBDMO O=C(C[N@H+](CCO)C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000275879428 268380955 /nfs/dbraw/zinc/38/09/55/268380955.db2.gz QBNFJWCSDJVPSC-UHFFFAOYSA-N 1 1 337.332 1.109 20 5 EDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1O ZINC000275680297 273118825 /nfs/dbraw/zinc/11/88/25/273118825.db2.gz YQZABTQSAZHALE-QMTHXVAHSA-N 1 1 325.340 1.765 20 5 EDBDMO O=c1[nH]ccc2c1C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000276936627 273170300 /nfs/dbraw/zinc/17/03/00/273170300.db2.gz NAHLWVIRRCYJSM-ZDUSSCGKSA-N 1 1 345.355 1.493 20 5 EDBDMO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000280564089 273371630 /nfs/dbraw/zinc/37/16/30/273371630.db2.gz KROPWLNTGQXEQW-CQSZACIVSA-N 1 1 341.433 1.887 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C ZINC000413136153 274272334 /nfs/dbraw/zinc/27/23/34/274272334.db2.gz SPVYYZCQFMFLMR-NXEZZACHSA-N 1 1 348.325 1.900 20 5 EDBDMO COc1cc(CN2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000284904860 274380985 /nfs/dbraw/zinc/38/09/85/274380985.db2.gz SCQWLQRPHGWGMA-LSDHHAIUSA-N 1 1 339.367 1.647 20 5 EDBDMO O=[N+]([O-])c1ccc(NC[C@@H](O)C[NH+]2CCOCC2)c2cccnc21 ZINC000346657603 275037147 /nfs/dbraw/zinc/03/71/47/275037147.db2.gz ONURYUUMAKDPBT-GFCCVEGCSA-N 1 1 332.360 1.248 20 5 EDBDMO COCC[N@H+]1CC[C@@H](Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000286619912 288047773 /nfs/dbraw/zinc/04/77/73/288047773.db2.gz CHZDDANTIWQYNY-LLVKDONJSA-N 1 1 338.364 1.217 20 5 EDBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000357591054 279119059 /nfs/dbraw/zinc/11/90/59/279119059.db2.gz FFKMCSZYPPGLQV-TZMCWYRMSA-N 1 1 343.387 1.837 20 5 EDBDMO CNC(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286993739 288132660 /nfs/dbraw/zinc/13/26/60/288132660.db2.gz PPSMXQCKFOIPJC-HUUCEWRRSA-N 1 1 337.376 1.839 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1C ZINC000109066925 280657364 /nfs/dbraw/zinc/65/73/64/280657364.db2.gz CCWKJEYDFLRHPX-QWRGUYRKSA-N 1 1 327.406 1.583 20 5 EDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000186804877 533691663 /nfs/dbraw/zinc/69/16/63/533691663.db2.gz NPUUWVOVNUCHCE-SNVBAGLBSA-N 1 1 327.768 1.387 20 5 EDBDMO CC[C@H]1CN(c2c([N+](=O)[O-])nc(C)n2CC)C[C@H]1[NH+]1CCOCC1 ZINC000361042576 281176040 /nfs/dbraw/zinc/17/60/40/281176040.db2.gz 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339.417 1.593 20 5 EDBDMO Cc1cc(C(=O)N2CCC([N@H+](C)C[C@H](C)O)CC2)cc([N+](=O)[O-])c1 ZINC000444351010 305246626 /nfs/dbraw/zinc/24/66/26/305246626.db2.gz GLJWQESQIAODKI-ZDUSSCGKSA-N 1 1 335.404 1.820 20 5 EDBDMO C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000449130998 305307297 /nfs/dbraw/zinc/30/72/97/305307297.db2.gz JIYSUEDRYQHRJD-HOTGVXAUSA-N 1 1 334.464 1.999 20 5 EDBDMO COC[C@]1(CO)CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000449693845 305317162 /nfs/dbraw/zinc/31/71/62/305317162.db2.gz FMWXUJIRHAGOQU-MRXNPFEDSA-N 1 1 340.376 1.443 20 5 EDBDMO COC[C@]1(CO)CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000449693845 305317163 /nfs/dbraw/zinc/31/71/63/305317163.db2.gz FMWXUJIRHAGOQU-MRXNPFEDSA-N 1 1 340.376 1.443 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451409769 305344400 /nfs/dbraw/zinc/34/44/00/305344400.db2.gz BAKJDKPONAAIRU-SQWLQELKSA-N 1 1 333.388 1.819 20 5 EDBDMO CCOc1ccc(NC(=O)CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451631470 305357668 /nfs/dbraw/zinc/35/76/68/305357668.db2.gz NUOYCXORSQBHOF-BLLLJJGKSA-N 1 1 348.403 1.568 20 5 EDBDMO CC[C@H]1C[N@@H+](CC)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451733969 305365626 /nfs/dbraw/zinc/36/56/26/305365626.db2.gz VYQFIQPCDSXCDU-HNNXBMFYSA-N 1 1 346.431 1.900 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000544552758 306076249 /nfs/dbraw/zinc/07/62/49/306076249.db2.gz UTWBKZJECBCMCL-NSHDSACASA-N 1 1 335.360 1.785 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000544760952 306078600 /nfs/dbraw/zinc/07/86/00/306078600.db2.gz TWCLEDGBXWPFLI-MRXNPFEDSA-N 1 1 337.376 1.779 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000544760952 306078601 /nfs/dbraw/zinc/07/86/01/306078601.db2.gz TWCLEDGBXWPFLI-MRXNPFEDSA-N 1 1 337.376 1.779 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000044670126 440869877 /nfs/dbraw/zinc/86/98/77/440869877.db2.gz CBSVUSSXKIWWJL-CQSZACIVSA-N 1 1 329.360 1.182 20 5 EDBDMO C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000006533334 440996681 /nfs/dbraw/zinc/99/66/81/440996681.db2.gz GAZWUKAAGXGWND-ZETCQYMHSA-N 1 1 334.361 1.669 20 5 EDBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CN1CC[NH+](C)CC1 ZINC000073046328 441287854 /nfs/dbraw/zinc/28/78/54/441287854.db2.gz QAHJBQQINASPPM-UHFFFAOYSA-N 1 1 334.420 1.579 20 5 EDBDMO Cc1cc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000074137756 441398314 /nfs/dbraw/zinc/39/83/14/441398314.db2.gz NTIDUKKYVXHFJM-CYBMUJFWSA-N 1 1 334.420 1.517 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000108339735 441447472 /nfs/dbraw/zinc/44/74/72/441447472.db2.gz RGMISYWZXMUSCH-ZDUSSCGKSA-N 1 1 343.387 1.852 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000065868072 441490881 /nfs/dbraw/zinc/49/08/81/441490881.db2.gz NXMYQPHKHJRAAP-BETUJISGSA-N 1 1 337.424 1.584 20 5 EDBDMO O=Cc1ccc(OCC(=O)N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000109263024 441493298 /nfs/dbraw/zinc/49/32/98/441493298.db2.gz CMJRTNKPAOXJRS-UHFFFAOYSA-N 1 1 333.344 1.093 20 5 EDBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000031933540 441541407 /nfs/dbraw/zinc/54/14/07/441541407.db2.gz WGKNNRGWKWYAAW-UHFFFAOYSA-N 1 1 348.403 1.315 20 5 EDBDMO Cc1nn(C)c(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089644295 441567435 /nfs/dbraw/zinc/56/74/35/441567435.db2.gz VDKXUUBSGMDQCU-LSDHHAIUSA-N 1 1 345.403 1.684 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000090559402 441634190 /nfs/dbraw/zinc/63/41/90/441634190.db2.gz DABNKAPZCAEZPK-INIZCTEOSA-N 1 1 329.356 1.348 20 5 EDBDMO Cc1ccc(C(=O)NCCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000041362958 441646988 /nfs/dbraw/zinc/64/69/88/441646988.db2.gz CLGYHEYPDBRJSC-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000041966760 441689283 /nfs/dbraw/zinc/68/92/83/441689283.db2.gz OEHGEILFTNADCJ-UHFFFAOYSA-N 1 1 341.433 1.771 20 5 EDBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000056168335 441694354 /nfs/dbraw/zinc/69/43/54/441694354.db2.gz WMIAXZTVWICULI-JSGCOSHPSA-N 1 1 344.375 1.138 20 5 EDBDMO CCc1nn(C)c(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000091453778 441701680 /nfs/dbraw/zinc/70/16/80/441701680.db2.gz SZUILUGEYOLWMB-LBPRGKRZSA-N 1 1 337.424 1.580 20 5 EDBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000067717802 441672467 /nfs/dbraw/zinc/67/24/67/441672467.db2.gz MPXKRFBREFZJMM-UHFFFAOYSA-N 1 1 333.797 1.621 20 5 EDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000121727783 441766195 /nfs/dbraw/zinc/76/61/95/441766195.db2.gz AUPNWXBZJQWJDP-UHFFFAOYSA-N 1 1 327.406 1.451 20 5 EDBDMO O=C(C1CC1)N1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000121512913 441722364 /nfs/dbraw/zinc/72/23/64/441722364.db2.gz KOPDOSUBOBSZHF-INIZCTEOSA-N 1 1 333.388 1.573 20 5 EDBDMO O=C(C1CC1)N1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000121512913 441722370 /nfs/dbraw/zinc/72/23/70/441722370.db2.gz KOPDOSUBOBSZHF-INIZCTEOSA-N 1 1 333.388 1.573 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000121540958 441728741 /nfs/dbraw/zinc/72/87/41/441728741.db2.gz XOKXOJDTWADESZ-OLZOCXBDSA-N 1 1 348.403 1.171 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000173525221 441778667 /nfs/dbraw/zinc/77/86/67/441778667.db2.gz IXXBZNRQEROBIM-ZDUSSCGKSA-N 1 1 337.401 1.538 20 5 EDBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000119163553 441921260 /nfs/dbraw/zinc/92/12/60/441921260.db2.gz SHSXARJDHAEXAH-IINYFYTJSA-N 1 1 341.795 1.626 20 5 EDBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000119163553 441921268 /nfs/dbraw/zinc/92/12/68/441921268.db2.gz SHSXARJDHAEXAH-IINYFYTJSA-N 1 1 341.795 1.626 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000124440735 441925903 /nfs/dbraw/zinc/92/59/03/441925903.db2.gz PFZGHBWDNZETRR-QGZVFWFLSA-N 1 1 348.447 1.905 20 5 EDBDMO C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000150974011 441984975 /nfs/dbraw/zinc/98/49/75/441984975.db2.gz KEIQQFSFDMMSMN-OLZOCXBDSA-N 1 1 338.412 1.211 20 5 EDBDMO CC[N@@H+](C)CCNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000119988509 441988378 /nfs/dbraw/zinc/98/83/78/441988378.db2.gz TYVRANHPOUSABJ-UHFFFAOYSA-N 1 1 347.318 1.886 20 5 EDBDMO C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@@H+](C)Cc1ccccc1 ZINC000119993647 441989366 /nfs/dbraw/zinc/98/93/66/441989366.db2.gz RLSWTKPMKRQROZ-LBPRGKRZSA-N 1 1 331.376 1.579 20 5 EDBDMO CC[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC[N@H+]1C[C@@H](C)O ZINC000126042889 442072419 /nfs/dbraw/zinc/07/24/19/442072419.db2.gz FCRIFXPYTLUNED-CJNGLKHVSA-N 1 1 349.431 1.749 20 5 EDBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000126292935 442096367 /nfs/dbraw/zinc/09/63/67/442096367.db2.gz VGNUDNKBZQSCAI-AWEZNQCLSA-N 1 1 337.424 1.952 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151805876 442122514 /nfs/dbraw/zinc/12/25/14/442122514.db2.gz USSPYXSHCQECGU-CYBMUJFWSA-N 1 1 341.433 1.889 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000162556478 442102494 /nfs/dbraw/zinc/10/24/94/442102494.db2.gz RQUHLEHZXMNEDN-CQSZACIVSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000162556478 442102501 /nfs/dbraw/zinc/10/25/01/442102501.db2.gz RQUHLEHZXMNEDN-CQSZACIVSA-N 1 1 337.376 1.777 20 5 EDBDMO CC1(C)C[N@H+](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000176162460 442184618 /nfs/dbraw/zinc/18/46/18/442184618.db2.gz GBRYSICSEJXVAL-UHFFFAOYSA-N 1 1 335.404 1.754 20 5 EDBDMO CC1(C)C[N@@H+](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000176162460 442184619 /nfs/dbraw/zinc/18/46/19/442184619.db2.gz GBRYSICSEJXVAL-UHFFFAOYSA-N 1 1 335.404 1.754 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000121389741 442211127 /nfs/dbraw/zinc/21/11/27/442211127.db2.gz ULVZDIHQWUQPBE-HNNXBMFYSA-N 1 1 348.403 1.640 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000121389741 442211131 /nfs/dbraw/zinc/21/11/31/442211131.db2.gz ULVZDIHQWUQPBE-HNNXBMFYSA-N 1 1 348.403 1.640 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000127631910 442216646 /nfs/dbraw/zinc/21/66/46/442216646.db2.gz WHFBHVUGZLWBBH-ABAIWWIYSA-N 1 1 346.387 1.784 20 5 EDBDMO Cc1c(F)cc(S(=O)(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000133523826 442422671 /nfs/dbraw/zinc/42/26/71/442422671.db2.gz QTLPEZYSYIMNHL-UHFFFAOYSA-N 1 1 345.396 1.807 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000186791991 442612736 /nfs/dbraw/zinc/61/27/36/442612736.db2.gz GEEMDFWAASDDMD-FZMZJTMJSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173237862 442629522 /nfs/dbraw/zinc/62/95/22/442629522.db2.gz FPLVFRYDYNLLED-NEPJUHHUSA-N 1 1 327.406 1.556 20 5 EDBDMO COc1ccc(OCC[N@H+](C)C[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000181270793 442687503 /nfs/dbraw/zinc/68/75/03/442687503.db2.gz AKZBDSFUCSUNDN-LBPRGKRZSA-N 1 1 338.282 1.837 20 5 EDBDMO COc1ccc(OCC[N@@H+](C)C[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000181270793 442687505 /nfs/dbraw/zinc/68/75/05/442687505.db2.gz AKZBDSFUCSUNDN-LBPRGKRZSA-N 1 1 338.282 1.837 20 5 EDBDMO C[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000181316163 442689610 /nfs/dbraw/zinc/68/96/10/442689610.db2.gz WATRHEJTCPSDPO-UHFFFAOYSA-N 1 1 348.403 1.209 20 5 EDBDMO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000188623709 442772395 /nfs/dbraw/zinc/77/23/95/442772395.db2.gz ONOWAKMQYZGEHM-CYBMUJFWSA-N 1 1 335.404 1.441 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000183148068 442889492 /nfs/dbraw/zinc/88/94/92/442889492.db2.gz KYDYPXFIWVDBKZ-NEPJUHHUSA-N 1 1 337.376 1.635 20 5 EDBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCCOCC1 ZINC000189369242 442931030 /nfs/dbraw/zinc/93/10/30/442931030.db2.gz ULKRMVKXXLGIAB-UHFFFAOYSA-N 1 1 339.417 1.525 20 5 EDBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCCOCC1 ZINC000189369242 442931033 /nfs/dbraw/zinc/93/10/33/442931033.db2.gz ULKRMVKXXLGIAB-UHFFFAOYSA-N 1 1 339.417 1.525 20 5 EDBDMO COc1ccc(CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000189412025 442945187 /nfs/dbraw/zinc/94/51/87/442945187.db2.gz GKHCKMABTPUIND-CYBMUJFWSA-N 1 1 337.420 1.880 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000249572442 442988339 /nfs/dbraw/zinc/98/83/39/442988339.db2.gz OQWNMBNZDQWHHC-SMDDNHRTSA-N 1 1 337.376 1.568 20 5 EDBDMO COc1ccc(OCC[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000249572442 442988342 /nfs/dbraw/zinc/98/83/42/442988342.db2.gz OQWNMBNZDQWHHC-SMDDNHRTSA-N 1 1 337.376 1.568 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)n1 ZINC000189684724 442993139 /nfs/dbraw/zinc/99/31/39/442993139.db2.gz FDTNRTXWRDBPPF-UHFFFAOYSA-N 1 1 331.380 1.214 20 5 EDBDMO NC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000266127855 443026459 /nfs/dbraw/zinc/02/64/59/443026459.db2.gz CTSFIHLYUAUVFI-GFCCVEGCSA-N 1 1 329.360 1.796 20 5 EDBDMO Cc1ccccc1[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266563104 443169314 /nfs/dbraw/zinc/16/93/14/443169314.db2.gz YMVFGNSYJUSDRM-GOEBONIOSA-N 1 1 330.388 1.950 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000269031970 443177613 /nfs/dbraw/zinc/17/76/13/443177613.db2.gz ANRMAOSAUFPOAQ-WBVHZDCISA-N 1 1 345.403 1.729 20 5 EDBDMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266603520 443183544 /nfs/dbraw/zinc/18/35/44/443183544.db2.gz FGIZOSFHYZOOKK-JTQLQIEISA-N 1 1 336.348 1.021 20 5 EDBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(O)c1 ZINC000245430991 443227305 /nfs/dbraw/zinc/22/73/05/443227305.db2.gz NVABUKAZLDQLGW-MLGOLLRUSA-N 1 1 334.376 1.941 20 5 EDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190885057 443203998 /nfs/dbraw/zinc/20/39/98/443203998.db2.gz GTIJTHOXILAYAL-STQMWFEESA-N 1 1 326.393 1.946 20 5 EDBDMO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000411985890 319218670 /nfs/dbraw/zinc/21/86/70/319218670.db2.gz QBMUABQVMDCCIB-OAHLLOKOSA-N 1 1 329.404 1.998 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000264357374 443261374 /nfs/dbraw/zinc/26/13/74/443261374.db2.gz IQUHGQWEHQEVHB-CQSZACIVSA-N 1 1 333.388 1.979 20 5 EDBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc([N+](=O)[O-])cc3COC)C2)CC1 ZINC000266967753 443305561 /nfs/dbraw/zinc/30/55/61/443305561.db2.gz KNWPGBICJSIMLI-KRWDZBQOSA-N 1 1 348.447 1.957 20 5 EDBDMO CC(=O)c1ccc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000264544738 443321174 /nfs/dbraw/zinc/32/11/74/443321174.db2.gz BKYLGENOVMDUEM-AWEZNQCLSA-N 1 1 334.376 1.549 20 5 EDBDMO CC(=O)c1ccc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000264544738 443321177 /nfs/dbraw/zinc/32/11/77/443321177.db2.gz BKYLGENOVMDUEM-AWEZNQCLSA-N 1 1 334.376 1.549 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000272479037 443333668 /nfs/dbraw/zinc/33/36/68/443333668.db2.gz JBRIKNVFOCAEGZ-NSHDSACASA-N 1 1 342.421 1.386 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000282419706 443333861 /nfs/dbraw/zinc/33/38/61/443333861.db2.gz YNZBQAIUAIDIKM-MAUKXSAKSA-N 1 1 349.431 1.672 20 5 EDBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272744187 443429431 /nfs/dbraw/zinc/42/94/31/443429431.db2.gz DDAPRKMGUHUYJR-JTQLQIEISA-N 1 1 334.332 1.883 20 5 EDBDMO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272683442 443407831 /nfs/dbraw/zinc/40/78/31/443407831.db2.gz OFFARAXQDJUWFE-ZDUSSCGKSA-N 1 1 337.376 1.267 20 5 EDBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272683442 443407834 /nfs/dbraw/zinc/40/78/34/443407834.db2.gz OFFARAXQDJUWFE-ZDUSSCGKSA-N 1 1 337.376 1.267 20 5 EDBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000267655833 443529602 /nfs/dbraw/zinc/52/96/02/443529602.db2.gz CMPXCTRRDINONZ-ZFWWWQNUSA-N 1 1 349.435 1.509 20 5 EDBDMO CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1CC ZINC000265401880 443629434 /nfs/dbraw/zinc/62/94/34/443629434.db2.gz XNGAWUQJVIVUAT-GFCCVEGCSA-N 1 1 325.365 1.761 20 5 EDBDMO CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1CC ZINC000265401880 443629438 /nfs/dbraw/zinc/62/94/38/443629438.db2.gz XNGAWUQJVIVUAT-GFCCVEGCSA-N 1 1 325.365 1.761 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000286055286 443635928 /nfs/dbraw/zinc/63/59/28/443635928.db2.gz FQLRAQHTUKOUTK-ZYHUDNBSSA-N 1 1 334.376 1.285 20 5 EDBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286155134 443657826 /nfs/dbraw/zinc/65/78/26/443657826.db2.gz WBKNYGLAXMSVRJ-XOKHGSTOSA-N 1 1 335.404 1.423 20 5 EDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000440865684 320084873 /nfs/dbraw/zinc/08/48/73/320084873.db2.gz YFWPIBQONSUCOU-JTQLQIEISA-N 1 1 331.369 1.497 20 5 EDBDMO CON1CCC([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000459594384 320348829 /nfs/dbraw/zinc/34/88/29/320348829.db2.gz XYBOHFPPWBIYQQ-HNNXBMFYSA-N 1 1 339.392 1.292 20 5 EDBDMO CCN1CC[NH+](CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000490856347 320363786 /nfs/dbraw/zinc/36/37/86/320363786.db2.gz OOJNIWLOMKOMML-BQYQJAHWSA-N 1 1 346.431 1.752 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280830928 443754525 /nfs/dbraw/zinc/75/45/25/443754525.db2.gz VYZIJODDOOZIQG-INIZCTEOSA-N 1 1 334.376 1.429 20 5 EDBDMO Cc1cc(N2CC[NH2+][C@H](C(N)=O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000292751974 443834739 /nfs/dbraw/zinc/83/47/39/443834739.db2.gz KKBGCFDDFNGEBV-VIFPVBQESA-N 1 1 332.282 1.186 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)[C@@H]2C1 ZINC000285076465 443846375 /nfs/dbraw/zinc/84/63/75/443846375.db2.gz PODUINYFUZSGHS-IINYFYTJSA-N 1 1 329.360 1.774 20 5 EDBDMO C[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000288497957 443899295 /nfs/dbraw/zinc/89/92/95/443899295.db2.gz WJEYYEOPJOLPMV-AWEZNQCLSA-N 1 1 334.420 1.232 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000299440018 444046932 /nfs/dbraw/zinc/04/69/32/444046932.db2.gz YEFJLFVQRHHFJR-FZMZJTMJSA-N 1 1 346.387 1.441 20 5 EDBDMO COc1ccc(NC(=O)CC[NH+]2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000299337728 444022109 /nfs/dbraw/zinc/02/21/09/444022109.db2.gz NBQCVZLMFYOGKB-UHFFFAOYSA-N 1 1 348.403 1.712 20 5 EDBDMO COCCn1nnc2c1CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000293626056 444073721 /nfs/dbraw/zinc/07/37/21/444073721.db2.gz LBTBRVLTJAFLDX-GQCTYLIASA-N 1 1 343.387 1.904 20 5 EDBDMO COCCn1nnc2c1CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000293626056 444073722 /nfs/dbraw/zinc/07/37/22/444073722.db2.gz LBTBRVLTJAFLDX-GQCTYLIASA-N 1 1 343.387 1.904 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000299561329 444079957 /nfs/dbraw/zinc/07/99/57/444079957.db2.gz NNJHAWHWSWQISB-UHFFFAOYSA-N 1 1 345.407 1.348 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000285715224 444082014 /nfs/dbraw/zinc/08/20/14/444082014.db2.gz DPNDXWLDUJOSMY-CYBMUJFWSA-N 1 1 329.360 1.317 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000285715224 444082016 /nfs/dbraw/zinc/08/20/16/444082016.db2.gz DPNDXWLDUJOSMY-CYBMUJFWSA-N 1 1 329.360 1.317 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH2+]C(C)(C)C1 ZINC000568533845 321296132 /nfs/dbraw/zinc/29/61/32/321296132.db2.gz RAPNWPWCRVCXTE-UHFFFAOYSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000299707384 444121542 /nfs/dbraw/zinc/12/15/42/444121542.db2.gz PTKGWYIZDYYYKV-GFCCVEGCSA-N 1 1 334.376 1.252 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000299712719 444122211 /nfs/dbraw/zinc/12/22/11/444122211.db2.gz QSONYPOUOZNZPZ-TZMCWYRMSA-N 1 1 346.387 1.537 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302632109 444217999 /nfs/dbraw/zinc/21/79/99/444217999.db2.gz JLEAEKXFGXEOKF-NSHDSACASA-N 1 1 327.406 1.752 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000301745795 444188381 /nfs/dbraw/zinc/18/83/81/444188381.db2.gz OTKBIDKPNCEWPD-ZDUSSCGKSA-N 1 1 339.827 1.859 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(N3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)nn21 ZINC000302005756 444200478 /nfs/dbraw/zinc/20/04/78/444200478.db2.gz SYXCAFDVKQMCRP-YNEHKIRRSA-N 1 1 328.376 1.558 20 5 EDBDMO 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CC[N@@H+](CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000338764958 444843088 /nfs/dbraw/zinc/84/30/88/444843088.db2.gz DGSBPIZSOGSDFF-UHFFFAOYSA-N 1 1 336.392 1.171 20 5 EDBDMO COCC[C@@H]1CCCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000342744913 444845092 /nfs/dbraw/zinc/84/50/92/444845092.db2.gz LYIZJELQBISZPA-DZGCQCFKSA-N 1 1 326.397 1.291 20 5 EDBDMO C[C@@](O)(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000330377655 444959383 /nfs/dbraw/zinc/95/93/83/444959383.db2.gz FJYGUIWERWFNHI-JOYOIKCWSA-N 1 1 334.298 1.789 20 5 EDBDMO Cc1n[nH]c(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000343061095 445034770 /nfs/dbraw/zinc/03/47/70/445034770.db2.gz CBHZQAQZIKWQPJ-OLZOCXBDSA-N 1 1 329.360 1.454 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000330587292 445048318 /nfs/dbraw/zinc/04/83/18/445048318.db2.gz MEDICGJLTRDJJC-NEPJUHHUSA-N 1 1 336.392 1.566 20 5 EDBDMO Cc1cc(F)cc2c1C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 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FCOMMNGBYUOEDF-AWEZNQCLSA-N 1 1 335.360 1.585 20 5 EDBDMO CCOC(=O)CC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343393632 445214717 /nfs/dbraw/zinc/21/47/17/445214717.db2.gz FCOMMNGBYUOEDF-AWEZNQCLSA-N 1 1 335.360 1.585 20 5 EDBDMO Cc1nc(NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000348351823 445264984 /nfs/dbraw/zinc/26/49/84/445264984.db2.gz MAXXNIOTCFGZBV-CQSZACIVSA-N 1 1 335.408 1.653 20 5 EDBDMO CCC[N@@H+](C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000354677965 445337179 /nfs/dbraw/zinc/33/71/79/445337179.db2.gz PBRRZOIRQBXPIO-UHFFFAOYSA-N 1 1 348.403 1.221 20 5 EDBDMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000355799990 445485411 /nfs/dbraw/zinc/48/54/11/445485411.db2.gz UGXJSZZKILVERP-KRWDZBQOSA-N 1 1 344.371 1.290 20 5 EDBDMO O=C(C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000363655800 445863234 /nfs/dbraw/zinc/86/32/34/445863234.db2.gz HDPRCJVSECHSDU-UUVAVEHKSA-N 1 1 345.399 1.577 20 5 EDBDMO O=C(C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000363655800 445863239 /nfs/dbraw/zinc/86/32/39/445863239.db2.gz HDPRCJVSECHSDU-UUVAVEHKSA-N 1 1 345.399 1.577 20 5 EDBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000364062143 445893650 /nfs/dbraw/zinc/89/36/50/445893650.db2.gz QGZYCPAIXIYHTM-GFCCVEGCSA-N 1 1 347.371 1.676 20 5 EDBDMO O=Cc1ccc(OCC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000369132435 445945056 /nfs/dbraw/zinc/94/50/56/445945056.db2.gz NRBGDXUACWNJGG-KBPBESRZSA-N 1 1 347.371 1.529 20 5 EDBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000356794670 446027655 /nfs/dbraw/zinc/02/76/55/446027655.db2.gz NBMOOMDKGVNEGS-MNOVXSKESA-N 1 1 342.421 1.032 20 5 EDBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000369282347 446046849 /nfs/dbraw/zinc/04/68/49/446046849.db2.gz GPTJTRQJQLDUFE-KGLIPLIRSA-N 1 1 334.380 1.113 20 5 EDBDMO C[C@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1c1ccccc1[N+](=O)[O-] ZINC000365147025 446051934 /nfs/dbraw/zinc/05/19/34/446051934.db2.gz RCOGEVJNGLOFLG-LSDHHAIUSA-N 1 1 334.420 1.436 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1c1ccccc1[N+](=O)[O-] ZINC000365147025 446051937 /nfs/dbraw/zinc/05/19/37/446051937.db2.gz RCOGEVJNGLOFLG-LSDHHAIUSA-N 1 1 334.420 1.436 20 5 EDBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(C)CC1 ZINC000583927853 326166947 /nfs/dbraw/zinc/16/69/47/326166947.db2.gz MUVDCMDVOVERBE-UHFFFAOYSA-N 1 1 327.406 1.605 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000365277599 446121183 /nfs/dbraw/zinc/12/11/83/446121183.db2.gz OLPDEAKSLOERBT-NSHDSACASA-N 1 1 330.344 1.792 20 5 EDBDMO C[C@H]1[C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000351578506 446175293 /nfs/dbraw/zinc/17/52/93/446175293.db2.gz CCYIBDHLSLYKMR-TVQRCGJNSA-N 1 1 338.339 1.271 20 5 EDBDMO Cc1cc(C[NH+]2CCC(N(C)c3ncc([N+](=O)[O-])cn3)CC2)on1 ZINC000373395755 446199829 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ZINC000588830149 448936346 /nfs/dbraw/zinc/93/63/46/448936346.db2.gz GSKSVXZWPWYNAO-AWEZNQCLSA-N 1 1 338.795 1.368 20 5 EDBDMO Cc1[nH+]ccn1CCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000589114341 448971850 /nfs/dbraw/zinc/97/18/50/448971850.db2.gz XTAYCDWVNYMKQW-UHFFFAOYSA-N 1 1 339.377 1.249 20 5 EDBDMO CCCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592832742 449009031 /nfs/dbraw/zinc/00/90/31/449009031.db2.gz VPOXWIUFVLUIBI-CQSZACIVSA-N 1 1 349.387 1.938 20 5 EDBDMO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593578552 449086652 /nfs/dbraw/zinc/08/66/52/449086652.db2.gz NGCKFMMFTXBGNX-NSHDSACASA-N 1 1 328.394 1.141 20 5 EDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593583150 449089366 /nfs/dbraw/zinc/08/93/66/449089366.db2.gz ZLPZJXRJFDJNFM-NEPJUHHUSA-N 1 1 342.421 1.389 20 5 EDBDMO CC1(C)CCC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593588903 449093175 /nfs/dbraw/zinc/09/31/75/449093175.db2.gz 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COc1c(C(=O)NC2CC([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000600066186 449168045 /nfs/dbraw/zinc/16/80/45/449168045.db2.gz HKKCEVJDFYQRPS-UHFFFAOYSA-N 1 1 335.360 1.196 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593132447 449147783 /nfs/dbraw/zinc/14/77/83/449147783.db2.gz WMQBIVMTQXRFOS-UONOGXRCSA-N 1 1 347.371 1.325 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000595808836 449179736 /nfs/dbraw/zinc/17/97/36/449179736.db2.gz XUWFPUVHJJWRBN-ZDUSSCGKSA-N 1 1 335.408 1.790 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590589728 449204459 /nfs/dbraw/zinc/20/44/59/449204459.db2.gz NCPWMDKOABUFPY-LLVKDONJSA-N 1 1 345.396 1.805 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3nc[nH]c3C2)c([N+](=O)[O-])c1 ZINC000590598839 449212153 /nfs/dbraw/zinc/21/21/53/449212153.db2.gz CBUYBAVFGRKZEB-UHFFFAOYSA-N 1 1 345.359 1.713 20 5 EDBDMO Cc1sc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000600106527 449192499 /nfs/dbraw/zinc/19/24/99/449192499.db2.gz ZSLDWTXQALYOEJ-UHFFFAOYSA-N 1 1 339.417 1.902 20 5 EDBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000590632605 449229097 /nfs/dbraw/zinc/22/90/97/449229097.db2.gz JXKCQKPQEJXDHZ-NSHDSACASA-N 1 1 337.351 1.957 20 5 EDBDMO C[C@H](C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000593857325 449241856 /nfs/dbraw/zinc/24/18/56/449241856.db2.gz XJDMDRNQNVSKEZ-GXFFZTMASA-N 1 1 337.351 1.115 20 5 EDBDMO C[C@H](C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000593857325 449241860 /nfs/dbraw/zinc/24/18/60/449241860.db2.gz XJDMDRNQNVSKEZ-GXFFZTMASA-N 1 1 337.351 1.115 20 5 EDBDMO Cc1cc(=O)n(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000601955009 449243301 /nfs/dbraw/zinc/24/33/01/449243301.db2.gz LHLMGJWQRGBIOX-GOSISDBHSA-N 1 1 343.383 1.702 20 5 EDBDMO CN1CCCC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000601970941 449252915 /nfs/dbraw/zinc/25/29/15/449252915.db2.gz RFRIQSACJPQYRN-OAHLLOKOSA-N 1 1 348.403 1.866 20 5 EDBDMO COCCOCC[NH+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000593518972 449322004 /nfs/dbraw/zinc/32/20/04/449322004.db2.gz WZVBQJDXWJPVOT-UHFFFAOYSA-N 1 1 339.392 1.388 20 5 EDBDMO NS(=O)(=O)c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000596083172 449355092 /nfs/dbraw/zinc/35/50/92/449355092.db2.gz QBVMVFMODRKIIC-VXGBXAGGSA-N 1 1 340.405 1.281 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000598343121 449358282 /nfs/dbraw/zinc/35/82/82/449358282.db2.gz SWMJIAGHQBCAMM-LLVKDONJSA-N 1 1 335.360 1.580 20 5 EDBDMO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000598538857 449453803 /nfs/dbraw/zinc/45/38/03/449453803.db2.gz DISQOQBYXREMTK-HNNXBMFYSA-N 1 1 337.376 1.483 20 5 EDBDMO COc1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000611826441 449438071 /nfs/dbraw/zinc/43/80/71/449438071.db2.gz NOHGAQQKNYMDID-IINYFYTJSA-N 1 1 338.364 1.444 20 5 EDBDMO COc1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000611826441 449438075 /nfs/dbraw/zinc/43/80/75/449438075.db2.gz NOHGAQQKNYMDID-IINYFYTJSA-N 1 1 338.364 1.444 20 5 EDBDMO CO[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000612120607 449571080 /nfs/dbraw/zinc/57/10/80/449571080.db2.gz ARCKXPUSJKXBSW-CQSZACIVSA-N 1 1 342.417 1.869 20 5 EDBDMO CO[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000612120607 449571083 /nfs/dbraw/zinc/57/10/83/449571083.db2.gz ARCKXPUSJKXBSW-CQSZACIVSA-N 1 1 342.417 1.869 20 5 EDBDMO COCC[N@H+]1CC[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601116888 449699849 /nfs/dbraw/zinc/69/98/49/449699849.db2.gz ZWIJFBCWLVGQPZ-QMMMGPOBSA-N 1 1 337.302 1.480 20 5 EDBDMO CN(C)C(=O)CN1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601100499 449689124 /nfs/dbraw/zinc/68/91/24/449689124.db2.gz MKYUKAYXCFFFEU-UHFFFAOYSA-N 1 1 343.387 1.353 20 5 EDBDMO C[NH+]1CCN(CC2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000599107589 449740630 /nfs/dbraw/zinc/74/06/30/449740630.db2.gz MDOOZYATFFDBBN-UHFFFAOYSA-N 1 1 330.392 1.155 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N(C)CC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC000594845518 449753430 /nfs/dbraw/zinc/75/34/30/449753430.db2.gz ABKGETGUNDOHPH-UHFFFAOYSA-N 1 1 327.406 1.394 20 5 EDBDMO Cc1cc(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1[N+](=O)[O-] ZINC000599130433 449753683 /nfs/dbraw/zinc/75/36/83/449753683.db2.gz IJDGKRXMLPVINE-KRWDZBQOSA-N 1 1 335.404 1.931 20 5 EDBDMO Cc1cc(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000599130433 449753689 /nfs/dbraw/zinc/75/36/89/449753689.db2.gz IJDGKRXMLPVINE-KRWDZBQOSA-N 1 1 335.404 1.931 20 5 EDBDMO Cn1cc(C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602699540 449756802 /nfs/dbraw/zinc/75/68/02/449756802.db2.gz XBEDMYCXZUXEQJ-AWEZNQCLSA-N 1 1 343.387 1.467 20 5 EDBDMO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602698795 449757045 /nfs/dbraw/zinc/75/70/45/449757045.db2.gz WDMAVCAHCKPQFC-RKDXNWHRSA-N 1 1 337.195 1.922 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000601244050 449771237 /nfs/dbraw/zinc/77/12/37/449771237.db2.gz KYXNMKKLIUSUKS-MNOVXSKESA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000601244050 449771241 /nfs/dbraw/zinc/77/12/41/449771241.db2.gz KYXNMKKLIUSUKS-MNOVXSKESA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000602847195 449854482 /nfs/dbraw/zinc/85/44/82/449854482.db2.gz JEIGVPBKYIYWEN-JHJVBQTASA-N 1 1 348.403 1.863 20 5 EDBDMO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000602847195 449854488 /nfs/dbraw/zinc/85/44/88/449854488.db2.gz JEIGVPBKYIYWEN-JHJVBQTASA-N 1 1 348.403 1.863 20 5 EDBDMO CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000595104773 449871011 /nfs/dbraw/zinc/87/10/11/449871011.db2.gz UQBJVOJTEJLNEG-CYBMUJFWSA-N 1 1 334.376 1.394 20 5 EDBDMO C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000602872277 449880877 /nfs/dbraw/zinc/88/08/77/449880877.db2.gz BQEUEJJHVPCBNX-HNNXBMFYSA-N 1 1 334.420 1.856 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601440380 449962773 /nfs/dbraw/zinc/96/27/73/449962773.db2.gz QJOGSNIPXWTBGV-ZDUSSCGKSA-N 1 1 341.433 1.841 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000595354034 450069512 /nfs/dbraw/zinc/06/95/12/450069512.db2.gz LIZRHSRSQKTSDT-GFCCVEGCSA-N 1 1 327.406 1.666 20 5 EDBDMO CC1(C)[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000603110043 450072768 /nfs/dbraw/zinc/07/27/68/450072768.db2.gz KJDSSLHQPSJFGX-CABCVRRESA-N 1 1 333.388 1.824 20 5 EDBDMO CCC(O)(CC)C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000599678551 450147015 /nfs/dbraw/zinc/14/70/15/450147015.db2.gz DJUWXJONULDWMD-AWEZNQCLSA-N 1 1 326.393 1.817 20 5 EDBDMO COc1cc(Cn2cc(C[NH+]3CCCC3)nn2)c([N+](=O)[O-])cc1F ZINC000603234839 450165058 /nfs/dbraw/zinc/16/50/58/450165058.db2.gz CODLNAUKPZFTNQ-UHFFFAOYSA-N 1 1 335.339 1.978 20 5 EDBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263704 450174859 /nfs/dbraw/zinc/17/48/59/450174859.db2.gz BFMZIDYPDWDPSY-LBPRGKRZSA-N 1 1 342.421 1.533 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCn2cncc2C1 ZINC000595487987 450179373 /nfs/dbraw/zinc/17/93/73/450179373.db2.gz AMUWRMSBRHAFGD-UHFFFAOYSA-N 1 1 345.359 1.644 20 5 EDBDMO COc1c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000597695540 450202322 /nfs/dbraw/zinc/20/23/22/450202322.db2.gz UAIJQTIEVUYYPF-UKRRQHHQSA-N 1 1 349.387 1.539 20 5 EDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000597712920 450216322 /nfs/dbraw/zinc/21/63/22/450216322.db2.gz AFOYKOHBLCCYJN-QGZVFWFLSA-N 1 1 333.388 1.918 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603499297 450314710 /nfs/dbraw/zinc/31/47/10/450314710.db2.gz VYIDNBLFSUOCRQ-MRXNPFEDSA-N 1 1 333.388 1.461 20 5 EDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCOCC1 ZINC000132505924 534032899 /nfs/dbraw/zinc/03/28/99/534032899.db2.gz MZUSHBJBWBPGGF-NSHDSACASA-N 1 1 341.795 1.946 20 5 EDBDMO COc1ccc(NC(=O)CN(C)CC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000186795889 534074764 /nfs/dbraw/zinc/07/47/64/534074764.db2.gz UBUYSEYWAINSDR-UHFFFAOYSA-N 1 1 336.392 1.568 20 5 EDBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000184194725 534887986 /nfs/dbraw/zinc/88/79/86/534887986.db2.gz RXYKHSBBYWXBKB-GFCCVEGCSA-N 1 1 339.417 1.499 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000174463667 527814401 /nfs/dbraw/zinc/81/44/01/527814401.db2.gz YXXDLMKJXMBAOH-LBPRGKRZSA-N 1 1 349.387 1.795 20 5 EDBDMO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000263683252 536007480 /nfs/dbraw/zinc/00/74/80/536007480.db2.gz HMUHRGMVYZKMNG-ZDUSSCGKSA-N 1 1 343.387 1.885 20 5 EDBDMO C[N@H+]1CCC[C@]2(CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000339426953 536395591 /nfs/dbraw/zinc/39/55/91/536395591.db2.gz DEUUYEYLTICIAI-YJBOKZPZSA-N 1 1 349.431 1.752 20 5 EDBDMO CN1CCC[C@]2(CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000339426953 536395600 /nfs/dbraw/zinc/39/56/00/536395600.db2.gz DEUUYEYLTICIAI-YJBOKZPZSA-N 1 1 349.431 1.752 20 5 EDBDMO CN1CCC[C@]2(CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000339426953 536395602 /nfs/dbraw/zinc/39/56/02/536395602.db2.gz DEUUYEYLTICIAI-YJBOKZPZSA-N 1 1 349.431 1.752 20 5 EDBDMO Cc1c(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000743978709 579496138 /nfs/dbraw/zinc/49/61/38/579496138.db2.gz NIEWXSUKZLOHFA-LLVKDONJSA-N 1 1 334.376 1.442 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000725897723 578302299 /nfs/dbraw/zinc/30/22/99/578302299.db2.gz UKAJCHVAJZRZMB-KBPBESRZSA-N 1 1 345.355 1.934 20 5 EDBDMO CN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732190485 578696328 /nfs/dbraw/zinc/69/63/28/578696328.db2.gz YZQYUNAVOAWIQG-MRXNPFEDSA-N 1 1 342.403 1.979 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000748843934 579703529 /nfs/dbraw/zinc/70/35/29/579703529.db2.gz JHRCEMRAYGXNLJ-LLVKDONJSA-N 1 1 336.348 1.963 20 5 EDBDMO COCCOC1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749956897 579745378 /nfs/dbraw/zinc/74/53/78/579745378.db2.gz VZAKKRUFCZZRRZ-UHFFFAOYSA-N 1 1 349.391 1.733 20 5 EDBDMO Cc1[nH+]ccn1CCOC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000762976288 580089046 /nfs/dbraw/zinc/08/90/46/580089046.db2.gz QVZIIAVFHUZIKI-UHFFFAOYSA-N 1 1 333.329 1.961 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000765930638 580153929 /nfs/dbraw/zinc/15/39/29/580153929.db2.gz QFYYKMHREUUFQH-QWHCGFSZSA-N 1 1 345.403 1.886 20 5 EDBDMO C[N@@H+](CCOC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000769090563 580228054 /nfs/dbraw/zinc/22/80/54/580228054.db2.gz OLBKEJBGLJQPGE-UHFFFAOYSA-N 1 1 336.323 1.606 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000778290127 580461002 /nfs/dbraw/zinc/46/10/02/580461002.db2.gz RVMLZMVZTHWLCT-SCZZXKLOSA-N 1 1 335.389 1.812 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000778422571 580464800 /nfs/dbraw/zinc/46/48/00/580464800.db2.gz NKPREFBPCJSPNY-BDAKNGLRSA-N 1 1 335.389 1.764 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000778422571 580464801 /nfs/dbraw/zinc/46/48/01/580464801.db2.gz NKPREFBPCJSPNY-BDAKNGLRSA-N 1 1 335.389 1.764 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778422575 580464879 /nfs/dbraw/zinc/46/48/79/580464879.db2.gz NKPREFBPCJSPNY-RKDXNWHRSA-N 1 1 335.389 1.764 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778422575 580464880 /nfs/dbraw/zinc/46/48/80/580464880.db2.gz NKPREFBPCJSPNY-RKDXNWHRSA-N 1 1 335.389 1.764 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3C[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000782635157 580581431 /nfs/dbraw/zinc/58/14/31/580581431.db2.gz UFLBYPZFNCBRMI-MEDUHNTESA-N 1 1 335.360 1.246 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000785801231 580653750 /nfs/dbraw/zinc/65/37/50/580653750.db2.gz QJVMBZSIXKDDAW-STQMWFEESA-N 1 1 334.376 1.230 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000788383688 580720312 /nfs/dbraw/zinc/72/03/12/580720312.db2.gz MQDAQFGQLRYUFN-INIZCTEOSA-N 1 1 329.360 1.422 20 5 EDBDMO C[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788594663 580725383 /nfs/dbraw/zinc/72/53/83/580725383.db2.gz OJMAFTYJEWAOJX-JSGCOSHPSA-N 1 1 349.435 1.415 20 5 EDBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796375436 580952511 /nfs/dbraw/zinc/95/25/11/580952511.db2.gz JBOGGBGCFIDAOF-KBRIMQKVSA-N 1 1 335.404 1.423 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801815681 581085505 /nfs/dbraw/zinc/08/55/05/581085505.db2.gz HWMHOZTUXFTIKI-UHFFFAOYSA-N 1 1 328.344 1.014 20 5 EDBDMO C[C@H](COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2)[N+](=O)[O-] ZINC000893044829 590632621 /nfs/dbraw/zinc/63/26/21/590632621.db2.gz OMCCTLGALAXQPV-UWWQBHOKSA-N 1 1 348.399 1.734 20 5 EDBDMO CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000888998665 590748552 /nfs/dbraw/zinc/74/85/52/590748552.db2.gz DDYMHDPLHIPZGE-UHFFFAOYSA-N 1 1 340.811 1.568 20 5 EDBDMO CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888998665 590748554 /nfs/dbraw/zinc/74/85/54/590748554.db2.gz DDYMHDPLHIPZGE-UHFFFAOYSA-N 1 1 340.811 1.568 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893991815 591157016 /nfs/dbraw/zinc/15/70/16/591157016.db2.gz FQLRKESWRQPGPG-LBPRGKRZSA-N 1 1 330.388 1.977 20 5 EDBDMO CN1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)sc1[N+](=O)[O-] ZINC000895771684 591270176 /nfs/dbraw/zinc/27/01/76/591270176.db2.gz OTKZGMOHKRCPPK-UWVGGRQHSA-N 1 1 326.426 1.283 20 5 EDBDMO CN1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)sc1[N+](=O)[O-] ZINC000895771684 591270179 /nfs/dbraw/zinc/27/01/79/591270179.db2.gz OTKZGMOHKRCPPK-UWVGGRQHSA-N 1 1 326.426 1.283 20 5 EDBDMO Cc1c(CC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896554365 591519681 /nfs/dbraw/zinc/51/96/81/591519681.db2.gz WIBFKKYLOPFJMB-BBRMVZONSA-N 1 1 334.420 1.196 20 5 EDBDMO Cc1c(CC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000896554365 591519688 /nfs/dbraw/zinc/51/96/88/591519688.db2.gz WIBFKKYLOPFJMB-BBRMVZONSA-N 1 1 334.420 1.196 20 5 EDBDMO Cc1c(CC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000896554365 591519691 /nfs/dbraw/zinc/51/96/91/591519691.db2.gz WIBFKKYLOPFJMB-BBRMVZONSA-N 1 1 334.420 1.196 20 5 EDBDMO Cn1c2ccccc2c(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1=O ZINC000895021578 591527588 /nfs/dbraw/zinc/52/75/88/591527588.db2.gz HJBRZWNWDAOBGA-GXTWGEPZSA-N 1 1 342.399 1.977 20 5 EDBDMO O=[N+]([O-])c1cc(CO)c(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1F ZINC000897219251 591773115 /nfs/dbraw/zinc/77/31/15/591773115.db2.gz JXOGDRFJRJVHJA-KBPBESRZSA-N 1 1 339.367 1.262 20 5 EDBDMO O=C(CC[NH+]1CC(N2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000899907753 591978424 /nfs/dbraw/zinc/97/84/24/591978424.db2.gz HUTHXNFJJDEAEA-UHFFFAOYSA-N 1 1 332.360 1.230 20 5 EDBDMO COc1cc([C@@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903092529 592122066 /nfs/dbraw/zinc/12/20/66/592122066.db2.gz LCYQAKBUWSOQSV-ZIAGYGMSSA-N 1 1 336.436 1.890 20 5 EDBDMO C/C(=C/C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000900801363 592142350 /nfs/dbraw/zinc/14/23/50/592142350.db2.gz CSEYHKUDHAARIO-JAVQZPJPSA-N 1 1 346.431 1.749 20 5 EDBDMO C/C(=C/C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000900801363 592142354 /nfs/dbraw/zinc/14/23/54/592142354.db2.gz CSEYHKUDHAARIO-JAVQZPJPSA-N 1 1 346.431 1.749 20 5 EDBDMO C/C(=C/C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000900801363 592142357 /nfs/dbraw/zinc/14/23/57/592142357.db2.gz CSEYHKUDHAARIO-JAVQZPJPSA-N 1 1 346.431 1.749 20 5 EDBDMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000901218408 592292415 /nfs/dbraw/zinc/29/24/15/592292415.db2.gz MCXSBXNJCGAHMB-KRWDZBQOSA-N 1 1 333.388 1.326 20 5 EDBDMO Cc1nn(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(C)c1[N+](=O)[O-] ZINC000840108421 593188708 /nfs/dbraw/zinc/18/87/08/593188708.db2.gz VACXATSMESXFDP-UONOGXRCSA-N 1 1 343.387 1.647 20 5 EDBDMO Cc1nn(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(C)c1[N+](=O)[O-] ZINC000840108421 593188711 /nfs/dbraw/zinc/18/87/11/593188711.db2.gz VACXATSMESXFDP-UONOGXRCSA-N 1 1 343.387 1.647 20 5 EDBDMO CC[N@@H+](C[C@H]1CCOC1)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839997572 593321409 /nfs/dbraw/zinc/32/14/09/593321409.db2.gz FGXIOHGIRAQZES-DYVFJYSZSA-N 1 1 349.387 1.848 20 5 EDBDMO CC[N@H+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000804380492 593410115 /nfs/dbraw/zinc/41/01/15/593410115.db2.gz WHUBQZOCKBEBMZ-GFCCVEGCSA-N 1 1 331.376 1.497 20 5 EDBDMO CC[NH+]1CCN(C(=O)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804430430 593413752 /nfs/dbraw/zinc/41/37/52/593413752.db2.gz PADZVRWHDGWESS-UHFFFAOYSA-N 1 1 337.336 1.079 20 5 EDBDMO C[S@@](=O)CC[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000769480860 593443759 /nfs/dbraw/zinc/44/37/59/593443759.db2.gz PHDSJIVJFLZJKV-GXOSZSFXSA-N 1 1 337.445 1.604 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)c1 ZINC000811493200 593471920 /nfs/dbraw/zinc/47/19/20/593471920.db2.gz GELJBXVUVHEJQL-GWCFXTLKSA-N 1 1 336.344 1.765 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)c1 ZINC000811493200 593471921 /nfs/dbraw/zinc/47/19/21/593471921.db2.gz GELJBXVUVHEJQL-GWCFXTLKSA-N 1 1 336.344 1.765 20 5 EDBDMO C[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[N@H+]1C1CC1 ZINC000811811694 593483261 /nfs/dbraw/zinc/48/32/61/593483261.db2.gz DEJMIVYBHGSPCO-UWVGGRQHSA-N 1 1 332.360 1.963 20 5 EDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000817679596 593623141 /nfs/dbraw/zinc/62/31/41/593623141.db2.gz UPAJJDXOBHLJRY-JTQLQIEISA-N 1 1 335.389 1.766 20 5 EDBDMO C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815557412 593642604 /nfs/dbraw/zinc/64/26/04/593642604.db2.gz UKAVVNQLXMAIOF-CYBMUJFWSA-N 1 1 335.452 1.854 20 5 EDBDMO Nc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000818005649 593656035 /nfs/dbraw/zinc/65/60/35/593656035.db2.gz ROWHMTDJGWSHOQ-OAHLLOKOSA-N 1 1 327.344 1.359 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)CNC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000819175294 593742858 /nfs/dbraw/zinc/74/28/58/593742858.db2.gz WDEZQQIDWFZCNS-KZNAEPCWSA-N 1 1 349.431 1.596 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821253884 593998204 /nfs/dbraw/zinc/99/82/04/593998204.db2.gz ITNCCQATSUOLRG-SNVBAGLBSA-N 1 1 332.368 1.314 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821342046 594022581 /nfs/dbraw/zinc/02/25/81/594022581.db2.gz JNEQYCRSYYFWQF-QGZVFWFLSA-N 1 1 336.436 1.418 20 5 EDBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC000823282415 594179899 /nfs/dbraw/zinc/17/98/99/594179899.db2.gz PFWPMNJORFAENN-CYBMUJFWSA-N 1 1 326.441 1.107 20 5 EDBDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC000823282415 594179901 /nfs/dbraw/zinc/17/99/01/594179901.db2.gz PFWPMNJORFAENN-CYBMUJFWSA-N 1 1 326.441 1.107 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827321850 594661021 /nfs/dbraw/zinc/66/10/21/594661021.db2.gz WKNNWQRMANVZHA-UONOGXRCSA-N 1 1 347.371 1.339 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]21 ZINC000831728993 594696849 /nfs/dbraw/zinc/69/68/49/594696849.db2.gz MCDMVKDJZNECJB-ABAIWWIYSA-N 1 1 336.367 1.698 20 5 EDBDMO CN1CC[C@@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]21 ZINC000831728993 594696850 /nfs/dbraw/zinc/69/68/50/594696850.db2.gz MCDMVKDJZNECJB-ABAIWWIYSA-N 1 1 336.367 1.698 20 5 EDBDMO CN1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]21 ZINC000831728993 594696851 /nfs/dbraw/zinc/69/68/51/594696851.db2.gz MCDMVKDJZNECJB-ABAIWWIYSA-N 1 1 336.367 1.698 20 5 EDBDMO C[C@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000833426856 594846423 /nfs/dbraw/zinc/84/64/23/594846423.db2.gz RNZFHSFXYDMLLW-CXAGYDPISA-N 1 1 347.415 1.961 20 5 EDBDMO C/C(=C\C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000836866840 595007755 /nfs/dbraw/zinc/00/77/55/595007755.db2.gz FFLOHPQODXIHIV-JBBMIMBXSA-N 1 1 347.415 1.912 20 5 EDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000836870408 595008330 /nfs/dbraw/zinc/00/83/30/595008330.db2.gz XNGOLUPWPXEASN-SWLLGXJJSA-N 1 1 347.415 1.912 20 5 EDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000836870408 595008331 /nfs/dbraw/zinc/00/83/31/595008331.db2.gz XNGOLUPWPXEASN-SWLLGXJJSA-N 1 1 347.415 1.912 20 5 EDBDMO C[C@@H]1COCCC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483091 595391370 /nfs/dbraw/zinc/39/13/70/595391370.db2.gz YFCFSRRWTAPKKJ-CJNGLKHVSA-N 1 1 333.388 1.979 20 5 EDBDMO C[C@@H]1COCCC[N@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483091 595391372 /nfs/dbraw/zinc/39/13/72/595391372.db2.gz YFCFSRRWTAPKKJ-CJNGLKHVSA-N 1 1 333.388 1.979 20 5 EDBDMO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848583113 595409261 /nfs/dbraw/zinc/40/92/61/595409261.db2.gz VYNKIKYVXMSWCQ-SNVBAGLBSA-N 1 1 341.314 1.919 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848583113 595409262 /nfs/dbraw/zinc/40/92/62/595409262.db2.gz VYNKIKYVXMSWCQ-SNVBAGLBSA-N 1 1 341.314 1.919 20 5 EDBDMO C[N@H+]1CC[C@@H](CCOC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000847826661 595489180 /nfs/dbraw/zinc/48/91/80/595489180.db2.gz IGWNQFCTAXQTBN-LBPRGKRZSA-N 1 1 345.359 1.674 20 5 EDBDMO CN(Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000853496376 595768466 /nfs/dbraw/zinc/76/84/66/595768466.db2.gz QZMAUODTSFLLHT-AWEZNQCLSA-N 1 1 342.403 1.979 20 5 EDBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@]3(CCOC3)C2)nc1-c1ccccn1 ZINC000853502333 595771773 /nfs/dbraw/zinc/77/17/73/595771773.db2.gz XKFGNYPNJANBAL-INIZCTEOSA-N 1 1 329.360 1.923 20 5 EDBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@]3(CCOC3)C2)nc1-c1ccccn1 ZINC000853502333 595771774 /nfs/dbraw/zinc/77/17/74/595771774.db2.gz XKFGNYPNJANBAL-INIZCTEOSA-N 1 1 329.360 1.923 20 5 EDBDMO C[C@H]1CO[C@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000851416988 595799707 /nfs/dbraw/zinc/79/97/07/595799707.db2.gz VZZGCYZTSWPCEJ-ARLBYUKCSA-N 1 1 334.372 1.484 20 5 EDBDMO C[C@H]1CO[C@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000851416988 595799710 /nfs/dbraw/zinc/79/97/10/595799710.db2.gz VZZGCYZTSWPCEJ-ARLBYUKCSA-N 1 1 334.372 1.484 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000853559846 595804525 /nfs/dbraw/zinc/80/45/25/595804525.db2.gz VHKUPWQLZZQYPD-IUODEOHRSA-N 1 1 343.387 1.811 20 5 EDBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853589073 595817621 /nfs/dbraw/zinc/81/76/21/595817621.db2.gz KYDABVCYBOATLZ-INMHGKMJSA-N 1 1 345.399 1.837 20 5 EDBDMO O=[N+]([O-])c1c(N2CCC([NH+]3CCOCC3)CC2)nc2ccccn21 ZINC000858630686 595850682 /nfs/dbraw/zinc/85/06/82/595850682.db2.gz GFJCZQGNWMLDNV-UHFFFAOYSA-N 1 1 331.376 1.544 20 5 EDBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000858867926 595909955 /nfs/dbraw/zinc/90/99/55/595909955.db2.gz SVGNQZVRYZGPBH-LBPRGKRZSA-N 1 1 336.348 1.030 20 5 EDBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 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IZVHYVHEDIIAQF-UHFFFAOYSA-N 1 1 326.356 1.852 20 5 EDBDMO Cc1ncc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC001031582193 697277490 /nfs/dbraw/zinc/27/74/90/697277490.db2.gz QJLSYKDSAJZSBP-UHFFFAOYSA-N 1 1 329.360 1.488 20 5 EDBDMO COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1C ZINC000996442017 702771493 /nfs/dbraw/zinc/77/14/93/702771493.db2.gz UMONOAYYOTVANF-HZPDHXFCSA-N 1 1 347.415 1.749 20 5 EDBDMO O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000052774569 214144161 /nfs/dbraw/zinc/14/41/61/214144161.db2.gz FKCXOEXGPCCHAH-ZDUSSCGKSA-N 1 1 345.399 1.985 20 5 EDBDMO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339043401 282225589 /nfs/dbraw/zinc/22/55/89/282225589.db2.gz FWOHADSENHWQSW-COXVUDFISA-N 1 1 335.404 1.984 20 5 EDBDMO CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000181906393 529961128 /nfs/dbraw/zinc/96/11/28/529961128.db2.gz DDZWXXWNGSTTTP-GJZGRUSLSA-N 1 1 337.420 1.608 20 5 EDBDMO CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000181906393 529961129 /nfs/dbraw/zinc/96/11/29/529961129.db2.gz DDZWXXWNGSTTTP-GJZGRUSLSA-N 1 1 337.420 1.608 20 5 EDBDMO CN1CCC[C@H](C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181906393 529961130 /nfs/dbraw/zinc/96/11/30/529961130.db2.gz DDZWXXWNGSTTTP-GJZGRUSLSA-N 1 1 337.420 1.608 20 5 EDBDMO CN1CCC[C@H](C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181906393 529961131 /nfs/dbraw/zinc/96/11/31/529961131.db2.gz DDZWXXWNGSTTTP-GJZGRUSLSA-N 1 1 337.420 1.608 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412220481 303985204 /nfs/dbraw/zinc/98/52/04/303985204.db2.gz VRBGLPCIUMEDQD-HYVNUMGLSA-N 1 1 347.415 1.613 20 5 EDBDMO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000065977922 215001971 /nfs/dbraw/zinc/00/19/71/215001971.db2.gz IKAIBDCAAFOQDC-UHFFFAOYSA-N 1 1 339.373 1.564 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067134630 215116859 /nfs/dbraw/zinc/11/68/59/215116859.db2.gz GQPUTENXCTXNHZ-AWEZNQCLSA-N 1 1 344.375 1.390 20 5 EDBDMO CCC[NH+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000068240268 215293349 /nfs/dbraw/zinc/29/33/49/215293349.db2.gz MXMKYGYTFVATKH-UHFFFAOYSA-N 1 1 343.387 1.948 20 5 EDBDMO CN(C(=O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000562479296 306299756 /nfs/dbraw/zinc/29/97/56/306299756.db2.gz XDAPTGBSJYCVIW-AWEZNQCLSA-N 1 1 334.376 1.110 20 5 EDBDMO CN(C(=O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000562479296 306299757 /nfs/dbraw/zinc/29/97/57/306299757.db2.gz XDAPTGBSJYCVIW-AWEZNQCLSA-N 1 1 334.376 1.110 20 5 EDBDMO C[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000183553443 235137128 /nfs/dbraw/zinc/13/71/28/235137128.db2.gz IABYGXPIKICLPT-SNVBAGLBSA-N 1 1 332.364 1.046 20 5 EDBDMO COCC(=O)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055903783 138149136 /nfs/dbraw/zinc/14/91/36/138149136.db2.gz PYRVOEVCRKXWFL-UHFFFAOYSA-N 1 1 337.376 1.154 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000067118849 138183821 /nfs/dbraw/zinc/18/38/21/138183821.db2.gz UMYRKSJPBHAOED-SNVBAGLBSA-N 1 1 333.385 1.743 20 5 EDBDMO CCC[N@H+]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000115158640 138311029 /nfs/dbraw/zinc/31/10/29/138311029.db2.gz APSWNAVCISEGQG-UHFFFAOYSA-N 1 1 348.403 1.269 20 5 EDBDMO C[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc2C[NH2+]1 ZINC000564788463 306364813 /nfs/dbraw/zinc/36/48/13/306364813.db2.gz JIDUHCYHRBUDKI-NSHDSACASA-N 1 1 348.384 1.677 20 5 EDBDMO C[C@]1(O)CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000129621537 223075280 /nfs/dbraw/zinc/07/52/80/223075280.db2.gz GOFJVRIUKIVBRO-HNNXBMFYSA-N 1 1 325.340 1.909 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C(=O)C1(C)C ZINC000130021424 223113762 /nfs/dbraw/zinc/11/37/62/223113762.db2.gz LRGRSEUTKGXQBA-UHFFFAOYSA-N 1 1 348.403 1.784 20 5 EDBDMO 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/nfs/dbraw/zinc/12/01/78/157120178.db2.gz WEROYXAFXZQHAF-BBRMVZONSA-N 1 1 333.388 1.795 20 5 EDBDMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000374056277 157125090 /nfs/dbraw/zinc/12/50/90/157125090.db2.gz YLLXOIUHQOYSAI-CYBMUJFWSA-N 1 1 333.396 1.449 20 5 EDBDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000374056277 157125096 /nfs/dbraw/zinc/12/50/96/157125096.db2.gz YLLXOIUHQOYSAI-CYBMUJFWSA-N 1 1 333.396 1.449 20 5 EDBDMO CCc1ccc([C@@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC[NH2+]2)cc1 ZINC000374322287 157242843 /nfs/dbraw/zinc/24/28/43/157242843.db2.gz CZRXRGRDDFAWHN-HNNXBMFYSA-N 1 1 343.387 1.527 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000360667713 162296939 /nfs/dbraw/zinc/29/69/39/162296939.db2.gz ZLBGYRJRYXETHN-VXGBXAGGSA-N 1 1 327.406 1.664 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366519205 162388785 /nfs/dbraw/zinc/38/87/85/162388785.db2.gz WCCWBNJUBSSVNW-XJKSGUPXSA-N 1 1 348.403 1.328 20 5 EDBDMO Cc1c(CC(=O)N[C@H](C)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000122744452 287382837 /nfs/dbraw/zinc/38/28/37/287382837.db2.gz HLYALCSZLICYFF-CYBMUJFWSA-N 1 1 335.404 1.673 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000274566662 268160449 /nfs/dbraw/zinc/16/04/49/268160449.db2.gz QHSZEPYVGXRIKN-UHFFFAOYSA-N 1 1 338.408 1.217 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278863633 268752207 /nfs/dbraw/zinc/75/22/07/268752207.db2.gz LJFRXAMOCBDZPF-MEDUHNTESA-N 1 1 332.360 1.134 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278863633 268752209 /nfs/dbraw/zinc/75/22/09/268752209.db2.gz LJFRXAMOCBDZPF-MEDUHNTESA-N 1 1 332.360 1.134 20 5 EDBDMO O=C1C[C@@]2(CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)CN1 ZINC000278870998 268755183 /nfs/dbraw/zinc/75/51/83/268755183.db2.gz MAZMQIOQMGQVEJ-KRWDZBQOSA-N 1 1 342.355 1.962 20 5 EDBDMO O=c1[nH]ccc2c1C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000276936624 273170332 /nfs/dbraw/zinc/17/03/32/273170332.db2.gz NAHLWVIRRCYJSM-CYBMUJFWSA-N 1 1 345.355 1.493 20 5 EDBDMO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000282455577 273654971 /nfs/dbraw/zinc/65/49/71/273654971.db2.gz SRRNPNSNPAIPKJ-BXKDBHETSA-N 1 1 331.332 1.402 20 5 EDBDMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000284547260 274240725 /nfs/dbraw/zinc/24/07/25/274240725.db2.gz HOCKYWXICYTYNR-UONOGXRCSA-N 1 1 337.376 1.313 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000284724104 274308470 /nfs/dbraw/zinc/30/84/70/274308470.db2.gz SRMZVCBDMIBMNJ-STQMWFEESA-N 1 1 337.376 1.395 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284839245 274353784 /nfs/dbraw/zinc/35/37/84/274353784.db2.gz QWOZQIGEXPGADY-RDJZCZTQSA-N 1 1 335.404 1.898 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284839245 274353785 /nfs/dbraw/zinc/35/37/85/274353785.db2.gz QWOZQIGEXPGADY-RDJZCZTQSA-N 1 1 335.404 1.898 20 5 EDBDMO C[N@H+]1CCO[C@@H]2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C[C@H]21 ZINC000284860629 274363036 /nfs/dbraw/zinc/36/30/36/274363036.db2.gz FIAJXSXHIAVQSR-VXGBXAGGSA-N 1 1 346.309 1.918 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000284863114 274363920 /nfs/dbraw/zinc/36/39/20/274363920.db2.gz DKGPZZAGBWLJPA-UWVGGRQHSA-N 1 1 343.330 1.664 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518251 277186310 /nfs/dbraw/zinc/18/63/10/277186310.db2.gz IAMVEZKHGOSUGM-AEFFLSMTSA-N 1 1 344.415 1.728 20 5 EDBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000191176663 277374589 /nfs/dbraw/zinc/37/45/89/277374589.db2.gz BKHVDNZWIZDJEA-ZLDLUXBVSA-N 1 1 335.360 1.030 20 5 EDBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000191176663 277374590 /nfs/dbraw/zinc/37/45/90/277374590.db2.gz BKHVDNZWIZDJEA-ZLDLUXBVSA-N 1 1 335.360 1.030 20 5 EDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286456210 288010351 /nfs/dbraw/zinc/01/03/51/288010351.db2.gz KBKCRKGGEBIWRA-NDQFFAJQSA-N 1 1 331.372 1.889 20 5 EDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286456210 288010352 /nfs/dbraw/zinc/01/03/52/288010352.db2.gz KBKCRKGGEBIWRA-NDQFFAJQSA-N 1 1 331.372 1.889 20 5 EDBDMO C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000263919733 279348029 /nfs/dbraw/zinc/34/80/29/279348029.db2.gz CAVIRGOMRLAMBS-SECBINFHSA-N 1 1 331.369 1.495 20 5 EDBDMO C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000263919733 279348031 /nfs/dbraw/zinc/34/80/31/279348031.db2.gz CAVIRGOMRLAMBS-SECBINFHSA-N 1 1 331.369 1.495 20 5 EDBDMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000287202395 288179374 /nfs/dbraw/zinc/17/93/74/288179374.db2.gz DPCJWEHMHKZZIV-RYUDHWBXSA-N 1 1 339.396 1.779 20 5 EDBDMO O=C([C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287496758 288251125 /nfs/dbraw/zinc/25/11/25/288251125.db2.gz TVAJVZYERUKHAP-GOEBONIOSA-N 1 1 333.388 1.573 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCCO)Cc2ccccn2)c1 ZINC000287973149 288371000 /nfs/dbraw/zinc/37/10/00/288371000.db2.gz ZMXQFQUPVPIPEN-KRWDZBQOSA-N 1 1 331.372 1.908 20 5 EDBDMO NC(=O)c1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)c(F)c1 ZINC000292093466 289259503 /nfs/dbraw/zinc/25/95/03/289259503.db2.gz FSMMNWTUTNNORD-UHFFFAOYSA-N 1 1 347.350 1.694 20 5 EDBDMO NC(=O)c1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)c(F)c1 ZINC000292093466 289259504 /nfs/dbraw/zinc/25/95/04/289259504.db2.gz FSMMNWTUTNNORD-UHFFFAOYSA-N 1 1 347.350 1.694 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292225333 289293764 /nfs/dbraw/zinc/29/37/64/289293764.db2.gz VGDHETGXSDMEAM-GUYCJALGSA-N 1 1 332.404 1.949 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261788383 301430555 /nfs/dbraw/zinc/43/05/55/301430555.db2.gz UDANPIRDDJJBMZ-CQSZACIVSA-N 1 1 329.360 1.423 20 5 EDBDMO C[C@@H]([N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000295141545 303178633 /nfs/dbraw/zinc/17/86/33/303178633.db2.gz KZZRJJWLBXLIOR-LLVKDONJSA-N 1 1 330.406 1.460 20 5 EDBDMO C[C@@H]([N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000295141545 303178635 /nfs/dbraw/zinc/17/86/35/303178635.db2.gz KZZRJJWLBXLIOR-LLVKDONJSA-N 1 1 330.406 1.460 20 5 EDBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc([N+](=O)[O-])cc1F ZINC000295372332 303210963 /nfs/dbraw/zinc/21/09/63/303210963.db2.gz GMAUVZSBOIJCSS-LLVKDONJSA-N 1 1 325.340 1.311 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000295660683 303248956 /nfs/dbraw/zinc/24/89/56/303248956.db2.gz HXXXIWMHQQATQB-LSDHHAIUSA-N 1 1 331.376 1.771 20 5 EDBDMO COC(=O)Cc1ccc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000296675947 303330873 /nfs/dbraw/zinc/33/08/73/303330873.db2.gz AOCOXZBEPVNEJO-JKSUJKDBSA-N 1 1 349.387 1.220 20 5 EDBDMO CNC(=O)[C@]1(C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430253205 305048885 /nfs/dbraw/zinc/04/88/85/305048885.db2.gz DPCBOWYLWQWLER-MRXNPFEDSA-N 1 1 334.376 1.381 20 5 EDBDMO O=C1[C@H](N2CCC3(CC[NH2+]C3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000431037701 305073384 /nfs/dbraw/zinc/07/33/84/305073384.db2.gz PBHXZGCDMJOMDM-MRXNPFEDSA-N 1 1 344.415 1.776 20 5 EDBDMO Cc1cc(OCC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000432197254 305088808 /nfs/dbraw/zinc/08/88/08/305088808.db2.gz XGOITRYCJCSXTF-SWLSCSKDSA-N 1 1 333.388 1.881 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000441238011 305219360 /nfs/dbraw/zinc/21/93/60/305219360.db2.gz XRLPWHVHCQRLOX-GXTWGEPZSA-N 1 1 347.419 1.931 20 5 EDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448947622 305305370 /nfs/dbraw/zinc/30/53/70/305305370.db2.gz YTSVUSPLLXYVHD-LBPRGKRZSA-N 1 1 329.360 1.557 20 5 EDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448947622 305305371 /nfs/dbraw/zinc/30/53/71/305305371.db2.gz YTSVUSPLLXYVHD-LBPRGKRZSA-N 1 1 329.360 1.557 20 5 EDBDMO CCc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452357763 305392302 /nfs/dbraw/zinc/39/23/02/305392302.db2.gz FKXCSNXISVKYID-HNNXBMFYSA-N 1 1 335.404 1.734 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000452367682 305393419 /nfs/dbraw/zinc/39/34/19/305393419.db2.gz PYMMCHIYJZUWET-LBPRGKRZSA-N 1 1 346.387 1.653 20 5 EDBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000549157626 306144935 /nfs/dbraw/zinc/14/49/35/306144935.db2.gz GCDYIDHMNDTNSL-AAEUAGOBSA-N 1 1 329.360 1.883 20 5 EDBDMO Cn1ccnc1[C@@H](NCCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000552280446 306178557 /nfs/dbraw/zinc/17/85/57/306178557.db2.gz HJLZSHVYXMRISZ-INIZCTEOSA-N 1 1 340.387 1.984 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000046034752 441071092 /nfs/dbraw/zinc/07/10/92/441071092.db2.gz TYIIRNWCLQDPEX-UHFFFAOYSA-N 1 1 343.405 1.368 20 5 EDBDMO C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+](C)C1CC1 ZINC000057709474 441128855 /nfs/dbraw/zinc/12/88/55/441128855.db2.gz OKHSEGBYHAATQI-GFCCVEGCSA-N 1 1 343.387 1.993 20 5 EDBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000072011847 441203282 /nfs/dbraw/zinc/20/32/82/441203282.db2.gz MQWJCUZRVBWILI-UHFFFAOYSA-N 1 1 345.355 1.950 20 5 EDBDMO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(N)=O ZINC000106444382 441343631 /nfs/dbraw/zinc/34/36/31/441343631.db2.gz GTHAGMRHPHSWIJ-LBPRGKRZSA-N 1 1 342.783 1.676 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000081729352 441305921 /nfs/dbraw/zinc/30/59/21/441305921.db2.gz BLHPSSJVIXUARV-WFASDCNBSA-N 1 1 348.403 1.123 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000074288303 441416282 /nfs/dbraw/zinc/41/62/82/441416282.db2.gz IAPGOVBOIWODQL-NEPJUHHUSA-N 1 1 327.406 1.656 20 5 EDBDMO Nc1c(C(=O)N2CC[NH+]([C@H]3CCSC3)CC2)cccc1[N+](=O)[O-] ZINC000087493962 441492943 /nfs/dbraw/zinc/49/29/43/441492943.db2.gz APTBBRWPEVBNRT-NSHDSACASA-N 1 1 336.417 1.440 20 5 EDBDMO Cc1cc(N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000074742537 441461756 /nfs/dbraw/zinc/46/17/56/441461756.db2.gz NZXGPJCYIRIOOF-CYBMUJFWSA-N 1 1 333.392 1.041 20 5 EDBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000031338989 441522758 /nfs/dbraw/zinc/52/27/58/441522758.db2.gz PDLBDTAGRCOTES-UHFFFAOYSA-N 1 1 342.355 1.071 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000041890037 441681594 /nfs/dbraw/zinc/68/15/94/441681594.db2.gz PYYRHKXAFZABRN-LBPRGKRZSA-N 1 1 346.387 1.442 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[N@H+](C)C(C)C ZINC000041716313 441669128 /nfs/dbraw/zinc/66/91/28/441669128.db2.gz MNWWQLYOSONALK-UHFFFAOYSA-N 1 1 336.392 1.688 20 5 EDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000115585731 441762055 /nfs/dbraw/zinc/76/20/55/441762055.db2.gz NDCQDLIFBFYWTN-AWEZNQCLSA-N 1 1 341.433 1.698 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000115585528 441762708 /nfs/dbraw/zinc/76/27/08/441762708.db2.gz OFQQADMPVQECOL-ZDUSSCGKSA-N 1 1 341.433 1.866 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000068336821 441778492 /nfs/dbraw/zinc/77/84/92/441778492.db2.gz VNRCLNGDAUOLSP-UHFFFAOYSA-N 1 1 338.408 1.481 20 5 EDBDMO CCc1nn(C)c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000092829914 441831528 /nfs/dbraw/zinc/83/15/28/441831528.db2.gz VASJIISBTBMUJE-ZDUSSCGKSA-N 1 1 337.424 1.439 20 5 EDBDMO O=C(C[NH+]1CCCC1)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093046418 441853089 /nfs/dbraw/zinc/85/30/89/441853089.db2.gz ZEWRVLZSJBLZDF-UHFFFAOYSA-N 1 1 348.403 1.040 20 5 EDBDMO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000123876710 441902311 /nfs/dbraw/zinc/90/23/11/441902311.db2.gz STGIVXVEWSTNOU-LLVKDONJSA-N 1 1 345.446 1.727 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000094129965 441906938 /nfs/dbraw/zinc/90/69/38/441906938.db2.gz IGROWDPCJSORJK-CQSZACIVSA-N 1 1 334.420 1.496 20 5 EDBDMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc([N+](=O)[O-])c1 ZINC000147375706 441907040 /nfs/dbraw/zinc/90/70/40/441907040.db2.gz HYOOESIPWWFHJC-MRXNPFEDSA-N 1 1 335.404 1.990 20 5 EDBDMO COCCC[N@H+]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000078302297 441917136 /nfs/dbraw/zinc/91/71/36/441917136.db2.gz NJTCZKYWYUFENJ-UHFFFAOYSA-N 1 1 336.392 1.242 20 5 EDBDMO C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000069440353 441936602 /nfs/dbraw/zinc/93/66/02/441936602.db2.gz BYVKGKKHLULLGD-LBPRGKRZSA-N 1 1 336.392 1.756 20 5 EDBDMO COc1ccc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000150724469 441936785 /nfs/dbraw/zinc/93/67/85/441936785.db2.gz FFINCUQCPFNXOH-LBPRGKRZSA-N 1 1 337.376 1.302 20 5 EDBDMO COc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000150724475 441936965 /nfs/dbraw/zinc/93/69/65/441936965.db2.gz FFINCUQCPFNXOH-GFCCVEGCSA-N 1 1 337.376 1.302 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cnccn1 ZINC000174649913 441949749 /nfs/dbraw/zinc/94/97/49/441949749.db2.gz RHRZJYVXQDGNSA-UHFFFAOYSA-N 1 1 345.359 1.854 20 5 EDBDMO COc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000150809232 441953997 /nfs/dbraw/zinc/95/39/97/441953997.db2.gz CTJOTIRGIOCHKP-SNVBAGLBSA-N 1 1 343.405 1.364 20 5 EDBDMO Cc1cnc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000078660726 441959631 /nfs/dbraw/zinc/95/96/31/441959631.db2.gz UAZONWUZCRBTRP-OAHLLOKOSA-N 1 1 333.436 1.905 20 5 EDBDMO CCCCC[N@@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000120106953 442008955 /nfs/dbraw/zinc/00/89/55/442008955.db2.gz FCXZGWKMWUEOOL-UHFFFAOYSA-N 1 1 335.404 1.968 20 5 EDBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000126237088 442091863 /nfs/dbraw/zinc/09/18/63/442091863.db2.gz SKOLVGFNTAPMHX-LBPRGKRZSA-N 1 1 334.376 1.042 20 5 EDBDMO COc1ccc(NC(=O)[C@@H](C)N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000125956493 442063837 /nfs/dbraw/zinc/06/38/37/442063837.db2.gz CKTCFGUHHHCSDV-GFCCVEGCSA-N 1 1 348.403 1.710 20 5 EDBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000126189832 442087374 /nfs/dbraw/zinc/08/73/74/442087374.db2.gz ZMOGCSPOHRXACE-MNOVXSKESA-N 1 1 325.390 1.498 20 5 EDBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000126189832 442087377 /nfs/dbraw/zinc/08/73/77/442087377.db2.gz ZMOGCSPOHRXACE-MNOVXSKESA-N 1 1 325.390 1.498 20 5 EDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1(O)CCCC1 ZINC000152173886 442176918 /nfs/dbraw/zinc/17/69/18/442176918.db2.gz XKEULGRDHZFJNA-UHFFFAOYSA-N 1 1 333.388 1.721 20 5 EDBDMO Cc1ccc(NCCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[nH+]c1 ZINC000127797837 442225976 /nfs/dbraw/zinc/22/59/76/442225976.db2.gz JGWXNQNUCZUNOM-UHFFFAOYSA-N 1 1 345.359 1.078 20 5 EDBDMO CC[N@@H+](CCNC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171155833 442320658 /nfs/dbraw/zinc/32/06/58/442320658.db2.gz SBWJNFQVIWYBCI-UHFFFAOYSA-N 1 1 335.408 1.790 20 5 EDBDMO Cc1ccc(NCCCNC(=O)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000156092275 442446745 /nfs/dbraw/zinc/44/67/45/442446745.db2.gz WFRYUWJECRFTCC-UHFFFAOYSA-N 1 1 349.435 1.069 20 5 EDBDMO CN(C)c1nc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000134142663 442452850 /nfs/dbraw/zinc/45/28/50/442452850.db2.gz SJMLCNVMKVKDGM-UHFFFAOYSA-N 1 1 342.403 1.773 20 5 EDBDMO C[NH+](C)[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccco1 ZINC000179947133 442521588 /nfs/dbraw/zinc/52/15/88/442521588.db2.gz REHNXJXTIVFGEG-GFCCVEGCSA-N 1 1 347.327 1.949 20 5 EDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1COc2ccccc2O1 ZINC000172719130 442526464 /nfs/dbraw/zinc/52/64/64/442526464.db2.gz ODHAXANYJQHGFW-CQSZACIVSA-N 1 1 332.360 1.953 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191861297 442527255 /nfs/dbraw/zinc/52/72/55/442527255.db2.gz LJUYAJGNJVNURF-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179124123 442577001 /nfs/dbraw/zinc/57/70/01/442577001.db2.gz LFHUPHMQQNELJI-LBPRGKRZSA-N 1 1 335.360 1.869 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179124123 442577005 /nfs/dbraw/zinc/57/70/05/442577005.db2.gz LFHUPHMQQNELJI-LBPRGKRZSA-N 1 1 335.360 1.869 20 5 EDBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCCC1 ZINC000182242363 442749331 /nfs/dbraw/zinc/74/93/31/442749331.db2.gz VMLLDJCQDPSZCJ-UHFFFAOYSA-N 1 1 342.417 1.605 20 5 EDBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCCC1 ZINC000182242363 442749333 /nfs/dbraw/zinc/74/93/33/442749333.db2.gz VMLLDJCQDPSZCJ-UHFFFAOYSA-N 1 1 342.417 1.605 20 5 EDBDMO C[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000193573144 442754802 /nfs/dbraw/zinc/75/48/02/442754802.db2.gz YSSGJNWWRWDKBE-GFCCVEGCSA-N 1 1 344.371 1.946 20 5 EDBDMO COc1ccc(NC(=O)CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000193652446 442764089 /nfs/dbraw/zinc/76/40/89/442764089.db2.gz OBLGBILUHUFVQK-TXEJJXNPSA-N 1 1 334.376 1.035 20 5 EDBDMO C[N@@H+](CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000265432723 442770747 /nfs/dbraw/zinc/77/07/47/442770747.db2.gz ZREZORYXHBVVOM-UHFFFAOYSA-N 1 1 340.767 1.397 20 5 EDBDMO COc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000194019165 442829708 /nfs/dbraw/zinc/82/97/08/442829708.db2.gz TXVAAYGFMPAIDT-VXGBXAGGSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000194019165 442829711 /nfs/dbraw/zinc/82/97/11/442829711.db2.gz TXVAAYGFMPAIDT-VXGBXAGGSA-N 1 1 337.376 1.131 20 5 EDBDMO C[C@@H](CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[N@@H+](C)C1CC1 ZINC000183010026 442864509 /nfs/dbraw/zinc/86/45/09/442864509.db2.gz VCKYWOHIARJGEE-ZBEGNZNMSA-N 1 1 346.387 1.687 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268158772 442876086 /nfs/dbraw/zinc/87/60/86/442876086.db2.gz IVDFTSCRIYJCQV-FZMZJTMJSA-N 1 1 346.387 1.441 20 5 EDBDMO COC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000265812750 442931019 /nfs/dbraw/zinc/93/10/19/442931019.db2.gz QIPRRNRXQCLUJD-LBPRGKRZSA-N 1 1 337.376 1.900 20 5 EDBDMO C[C@@H](O)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C)CO ZINC000248934065 442938984 /nfs/dbraw/zinc/93/89/84/442938984.db2.gz MWMMKVVMDXVHLD-CHWSQXEVSA-N 1 1 349.387 1.856 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000249381218 442970145 /nfs/dbraw/zinc/97/01/45/442970145.db2.gz RSLJUBOASKGSOZ-HIFRSBDPSA-N 1 1 346.387 1.937 20 5 EDBDMO C[C@H]1C[C@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266185336 443049245 /nfs/dbraw/zinc/04/92/45/443049245.db2.gz ALIKKKORRIQALP-NWDGAFQWSA-N 1 1 341.433 1.917 20 5 EDBDMO C[C@H]1C[C@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266185336 443049248 /nfs/dbraw/zinc/04/92/48/443049248.db2.gz ALIKKKORRIQALP-NWDGAFQWSA-N 1 1 341.433 1.917 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000190434127 443107561 /nfs/dbraw/zinc/10/75/61/443107561.db2.gz HFPDNECSKDZQSL-ABAIWWIYSA-N 1 1 337.376 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000190434127 443107566 /nfs/dbraw/zinc/10/75/66/443107566.db2.gz HFPDNECSKDZQSL-ABAIWWIYSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190850130 443195930 /nfs/dbraw/zinc/19/59/30/443195930.db2.gz ABVFUZZQSIYHOL-WOPDTQHZSA-N 1 1 337.376 1.491 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190850130 443195932 /nfs/dbraw/zinc/19/59/32/443195932.db2.gz ABVFUZZQSIYHOL-WOPDTQHZSA-N 1 1 337.376 1.491 20 5 EDBDMO COCC(COC)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000413468971 319269254 /nfs/dbraw/zinc/26/92/54/319269254.db2.gz AASLRBQLHVFLEX-UHFFFAOYSA-N 1 1 341.383 1.826 20 5 EDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000413469316 319269288 /nfs/dbraw/zinc/26/92/88/319269288.db2.gz KAAMEAJACCDFAS-CVEARBPZSA-N 1 1 344.371 1.671 20 5 EDBDMO C[C@]1(C(N)=O)CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185880479 443275526 /nfs/dbraw/zinc/27/55/26/443275526.db2.gz QWNJAMZAVUORTA-XJKSGUPXSA-N 1 1 337.376 1.064 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+](CC)CCCO)c([N+](=O)[O-])c1 ZINC000267315217 443415965 /nfs/dbraw/zinc/41/59/65/443415965.db2.gz FJOLKLMFGDNXSJ-UHFFFAOYSA-N 1 1 325.365 1.636 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)CCCO)c([N+](=O)[O-])c1 ZINC000267315217 443415968 /nfs/dbraw/zinc/41/59/68/443415968.db2.gz FJOLKLMFGDNXSJ-UHFFFAOYSA-N 1 1 325.365 1.636 20 5 EDBDMO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272692119 443410646 /nfs/dbraw/zinc/41/06/46/443410646.db2.gz QQMCPWHJHOANOV-CQSZACIVSA-N 1 1 325.365 1.387 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265015634 443509460 /nfs/dbraw/zinc/50/94/60/443509460.db2.gz IAPGOVBOIWODQL-VXGBXAGGSA-N 1 1 327.406 1.656 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267686837 443540663 /nfs/dbraw/zinc/54/06/63/443540663.db2.gz QLRPDOYHXVNYPU-WCQYABFASA-N 1 1 341.433 1.775 20 5 EDBDMO Cc1c(CNC(=O)CCCN2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000423810587 319815088 /nfs/dbraw/zinc/81/50/88/319815088.db2.gz OGGSZXLPXKQTIK-UHFFFAOYSA-N 1 1 334.420 1.723 20 5 EDBDMO CCOCCC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C1 ZINC000265175174 443559360 /nfs/dbraw/zinc/55/93/60/443559360.db2.gz CGHHFDAJOMXBQT-RYUDHWBXSA-N 1 1 338.412 1.516 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1=CC[N@@H+](C)CC1 ZINC000272282193 443578414 /nfs/dbraw/zinc/57/84/14/443578414.db2.gz UFQIOJNYMNWMGS-UHFFFAOYSA-N 1 1 325.390 1.443 20 5 EDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000440834196 320081969 /nfs/dbraw/zinc/08/19/69/320081969.db2.gz QPVMCGOZQZOWMM-CYBMUJFWSA-N 1 1 327.406 1.666 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCCC[N@@H+]1CCO ZINC000449390337 320187795 /nfs/dbraw/zinc/18/77/95/320187795.db2.gz GJGOUJQRXMMKGP-MRXNPFEDSA-N 1 1 337.420 1.930 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCCC[N@H+]1CCO ZINC000449390337 320187796 /nfs/dbraw/zinc/18/77/96/320187796.db2.gz GJGOUJQRXMMKGP-MRXNPFEDSA-N 1 1 337.420 1.930 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000457139367 320320285 /nfs/dbraw/zinc/32/02/85/320320285.db2.gz YFJJGZBSBUSDNN-AWEZNQCLSA-N 1 1 334.420 1.972 20 5 EDBDMO Cn1ccnc1[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000280274048 443688183 /nfs/dbraw/zinc/68/81/83/443688183.db2.gz YMCIMUHIUJORFP-INIZCTEOSA-N 1 1 345.403 1.696 20 5 EDBDMO Cn1ccnc1[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000280274048 443688187 /nfs/dbraw/zinc/68/81/87/443688187.db2.gz YMCIMUHIUJORFP-INIZCTEOSA-N 1 1 345.403 1.696 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000280390790 443710785 /nfs/dbraw/zinc/71/07/85/443710785.db2.gz WWWNUHHOVKELKE-ZYHUDNBSSA-N 1 1 338.360 1.853 20 5 EDBDMO CC[N@@H+](CCNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)C1CC1 ZINC000298270433 443735503 /nfs/dbraw/zinc/73/55/03/443735503.db2.gz WKVJOLLWRBSMMT-UHFFFAOYSA-N 1 1 348.403 1.751 20 5 EDBDMO Cc1cc(OCC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000280966565 443785452 /nfs/dbraw/zinc/78/54/52/443785452.db2.gz ITECFFZLLRLWDV-BBRMVZONSA-N 1 1 333.388 1.835 20 5 EDBDMO CNC(=O)C[NH+]1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276676462 443787802 /nfs/dbraw/zinc/78/78/02/443787802.db2.gz UJJVHSWZBFLSQB-UHFFFAOYSA-N 1 1 343.387 1.765 20 5 EDBDMO CO[C@]1(C)CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000281168947 443837356 /nfs/dbraw/zinc/83/73/56/443837356.db2.gz PTELJTRPVOTXCK-RHSMWYFYSA-N 1 1 347.371 1.728 20 5 EDBDMO CO[C@]1(C)CCC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000281168947 443837362 /nfs/dbraw/zinc/83/73/62/443837362.db2.gz PTELJTRPVOTXCK-RHSMWYFYSA-N 1 1 347.371 1.728 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288476015 443892485 /nfs/dbraw/zinc/89/24/85/443892485.db2.gz OYZTYSKBWOABDN-NSHDSACASA-N 1 1 337.376 1.778 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288476015 443892490 /nfs/dbraw/zinc/89/24/90/443892490.db2.gz OYZTYSKBWOABDN-NSHDSACASA-N 1 1 337.376 1.778 20 5 EDBDMO Cc1cc(OCC(=O)NCc2c[nH+]c(N(C)C)n2C)ccc1[N+](=O)[O-] ZINC000281234082 443855690 /nfs/dbraw/zinc/85/56/90/443855690.db2.gz CYXRYYLWUAYZMU-UHFFFAOYSA-N 1 1 347.375 1.398 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285310899 443937417 /nfs/dbraw/zinc/93/74/17/443937417.db2.gz QMFNQTBZPCUTGK-ZWOPJXCPSA-N 1 1 331.372 1.540 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293071662 443917835 /nfs/dbraw/zinc/91/78/35/443917835.db2.gz IZGBTAGBQRDFHS-WCQYABFASA-N 1 1 337.376 1.777 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](O)CC1 ZINC000293071662 443917838 /nfs/dbraw/zinc/91/78/38/443917838.db2.gz IZGBTAGBQRDFHS-WCQYABFASA-N 1 1 337.376 1.777 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000293261960 443966698 /nfs/dbraw/zinc/96/66/98/443966698.db2.gz PXWAALHWRVLEKY-QGZVFWFLSA-N 1 1 346.387 1.396 20 5 EDBDMO COCC[N@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299240775 443992525 /nfs/dbraw/zinc/99/25/25/443992525.db2.gz KTIBUVUVOGSMNP-VMPITWQZSA-N 1 1 333.388 1.789 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@H]2C1 ZINC000285574594 444033941 /nfs/dbraw/zinc/03/39/41/444033941.db2.gz BBIUVSIGBMVHIG-HOTGVXAUSA-N 1 1 344.371 1.621 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000299439888 444046817 /nfs/dbraw/zinc/04/68/17/444046817.db2.gz YDLQZFIWMSHSCP-GFCCVEGCSA-N 1 1 334.376 1.218 20 5 EDBDMO COc1cc(NCCC[N@@H+](C)CCN(C)C)c([N+](=O)[O-])cc1OC ZINC000289107136 444054312 /nfs/dbraw/zinc/05/43/12/444054312.db2.gz PWRCYRFLPSZHHE-UHFFFAOYSA-N 1 1 340.424 1.907 20 5 EDBDMO COc1cc(NCCCN(C)CC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000289107136 444054316 /nfs/dbraw/zinc/05/43/16/444054316.db2.gz PWRCYRFLPSZHHE-UHFFFAOYSA-N 1 1 340.424 1.907 20 5 EDBDMO Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000289209680 444077413 /nfs/dbraw/zinc/07/74/13/444077413.db2.gz BWDRJKQETUCXFU-SUMWQHHRSA-N 1 1 346.387 1.856 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000285715229 444082605 /nfs/dbraw/zinc/08/26/05/444082605.db2.gz DPNDXWLDUJOSMY-ZDUSSCGKSA-N 1 1 329.360 1.317 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000285715229 444082609 /nfs/dbraw/zinc/08/26/09/444082609.db2.gz DPNDXWLDUJOSMY-ZDUSSCGKSA-N 1 1 329.360 1.317 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285734450 444090643 /nfs/dbraw/zinc/09/06/43/444090643.db2.gz KQCWLYMRHCYDDR-JKSUJKDBSA-N 1 1 348.403 1.328 20 5 EDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COC[C@H]1CCCO1 ZINC000565672900 321197144 /nfs/dbraw/zinc/19/71/44/321197144.db2.gz NDRJDYRCIVXGGP-HZPDHXFCSA-N 1 1 338.404 1.626 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1nccn1C(F)F ZINC000566108848 321215727 /nfs/dbraw/zinc/21/57/27/321215727.db2.gz GHECPUBAAFFPGW-JTQLQIEISA-N 1 1 342.302 1.716 20 5 EDBDMO COC(=O)c1cc(NC[C@@H](C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000301241375 444157113 /nfs/dbraw/zinc/15/71/13/444157113.db2.gz OKPPJCXGIYSXDD-GFCCVEGCSA-N 1 1 336.392 1.429 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301542872 444178773 /nfs/dbraw/zinc/17/87/73/444178773.db2.gz NZZPMCFYGWHGBR-NWDGAFQWSA-N 1 1 331.376 1.379 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000302104758 444204223 /nfs/dbraw/zinc/20/42/23/444204223.db2.gz RMZOZEDUZBIRLA-VXGBXAGGSA-N 1 1 337.376 1.273 20 5 EDBDMO C[C@H](O)[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000305660323 444271712 /nfs/dbraw/zinc/27/17/12/444271712.db2.gz RDJTWEGZXINLIV-XEZPLFJOSA-N 1 1 333.388 1.793 20 5 EDBDMO Cc1cnn([C@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289986941 444227766 /nfs/dbraw/zinc/22/77/66/444227766.db2.gz SBWDAUMKUZLBRL-LSDHHAIUSA-N 1 1 346.387 1.786 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(Cc2ccco2)CC1 ZINC000298116657 444421208 /nfs/dbraw/zinc/42/12/08/444421208.db2.gz RYZSLKULTCGDGY-UHFFFAOYSA-N 1 1 332.316 1.246 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000581459570 322179089 /nfs/dbraw/zinc/17/90/89/322179089.db2.gz YYJTUDXVFXDGNK-LBPRGKRZSA-N 1 1 348.403 1.554 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CCSC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000343764663 444574446 /nfs/dbraw/zinc/57/44/46/444574446.db2.gz MVWPKTGCBWJOPQ-LLVKDONJSA-N 1 1 328.390 1.392 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCSC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000343764663 444574449 /nfs/dbraw/zinc/57/44/49/444574449.db2.gz MVWPKTGCBWJOPQ-LLVKDONJSA-N 1 1 328.390 1.392 20 5 EDBDMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000342323573 444630171 /nfs/dbraw/zinc/63/01/71/444630171.db2.gz IJRPWAWQRNXYJI-SNVBAGLBSA-N 1 1 345.359 1.875 20 5 EDBDMO CNC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000342354933 444650747 /nfs/dbraw/zinc/65/07/47/444650747.db2.gz NCSDQVKTTGFPNB-LBPRGKRZSA-N 1 1 349.391 1.235 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)c2ncnc3cccc([N+](=O)[O-])c32)[N@@H+](C)C1 ZINC000343884089 444645185 /nfs/dbraw/zinc/64/51/85/444645185.db2.gz CGFMRCMBZMUAPB-NWDGAFQWSA-N 1 1 331.376 1.693 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1C ZINC000344048092 444748533 /nfs/dbraw/zinc/74/85/33/444748533.db2.gz KQOILFTWPZRLHG-OCCSQVGLSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1C ZINC000344048092 444748538 /nfs/dbraw/zinc/74/85/38/444748538.db2.gz KQOILFTWPZRLHG-OCCSQVGLSA-N 1 1 341.433 1.973 20 5 EDBDMO COC[C@@H]1C[C@@H](OC)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344359156 444917456 /nfs/dbraw/zinc/91/74/56/444917456.db2.gz FKUNABGZDOAEBP-LSDHHAIUSA-N 1 1 337.376 1.293 20 5 EDBDMO COC[C@@H]1C[C@@H](OC)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344359156 444917462 /nfs/dbraw/zinc/91/74/62/444917462.db2.gz FKUNABGZDOAEBP-LSDHHAIUSA-N 1 1 337.376 1.293 20 5 EDBDMO COC[C@H]1C[C@@H](OC)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344367563 444922539 /nfs/dbraw/zinc/92/25/39/444922539.db2.gz MKHGTSAKPIZZPL-HUUCEWRRSA-N 1 1 349.387 1.220 20 5 EDBDMO COC[C@H]1C[C@@H](OC)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344367563 444922544 /nfs/dbraw/zinc/92/25/44/444922544.db2.gz MKHGTSAKPIZZPL-HUUCEWRRSA-N 1 1 349.387 1.220 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000344528488 445035761 /nfs/dbraw/zinc/03/57/61/445035761.db2.gz LQASJDYHKNIYCH-GFCCVEGCSA-N 1 1 328.390 1.660 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000341751557 444985671 /nfs/dbraw/zinc/98/56/71/444985671.db2.gz SATMADJIPKYEFE-AAEUAGOBSA-N 1 1 349.309 1.534 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000341751557 444985674 /nfs/dbraw/zinc/98/56/74/444985674.db2.gz SATMADJIPKYEFE-AAEUAGOBSA-N 1 1 349.309 1.534 20 5 EDBDMO Cc1n[nH]c(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000343061094 445034604 /nfs/dbraw/zinc/03/46/04/445034604.db2.gz CBHZQAQZIKWQPJ-CHWSQXEVSA-N 1 1 329.360 1.454 20 5 EDBDMO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339036797 445000940 /nfs/dbraw/zinc/00/09/40/445000940.db2.gz QLDBGNZLVYZMFF-ZDUSSCGKSA-N 1 1 337.420 1.825 20 5 EDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330888713 445181735 /nfs/dbraw/zinc/18/17/35/445181735.db2.gz GGWNAQFEHUFPRD-ZDUSSCGKSA-N 1 1 337.424 1.859 20 5 EDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346159016 445206820 /nfs/dbraw/zinc/20/68/20/445206820.db2.gz CYFAWZLKFGYJQI-YDHLFZDLSA-N 1 1 349.435 1.715 20 5 EDBDMO C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000347526849 445241135 /nfs/dbraw/zinc/24/11/35/445241135.db2.gz QHCDVBQWIGSFKA-CYBMUJFWSA-N 1 1 335.404 1.397 20 5 EDBDMO C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000347526849 445241136 /nfs/dbraw/zinc/24/11/36/445241136.db2.gz QHCDVBQWIGSFKA-CYBMUJFWSA-N 1 1 335.404 1.397 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347430335 445237980 /nfs/dbraw/zinc/23/79/80/445237980.db2.gz NTWYEEJJLFTMEA-ZDUSSCGKSA-N 1 1 345.403 2.307 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347459652 445239135 /nfs/dbraw/zinc/23/91/35/445239135.db2.gz FZHIIJNAXSHVRM-UHFFFAOYSA-N 1 1 345.403 1.821 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000362409826 445366739 /nfs/dbraw/zinc/36/67/39/445366739.db2.gz JHVXPPGGSWZEAH-PXAZEXFGSA-N 1 1 346.387 1.524 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000362409826 445366743 /nfs/dbraw/zinc/36/67/43/445366743.db2.gz JHVXPPGGSWZEAH-PXAZEXFGSA-N 1 1 346.387 1.524 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000362413343 445369689 /nfs/dbraw/zinc/36/96/89/445369689.db2.gz LQSYJSDQPPILOL-YPMHNXCESA-N 1 1 333.392 1.304 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000362413343 445369694 /nfs/dbraw/zinc/36/96/94/445369694.db2.gz LQSYJSDQPPILOL-YPMHNXCESA-N 1 1 333.392 1.304 20 5 EDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000357002545 445370498 /nfs/dbraw/zinc/37/04/98/445370498.db2.gz NPASWXNVFSCZKY-CHWSQXEVSA-N 1 1 332.404 1.508 20 5 EDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000357040401 445389913 /nfs/dbraw/zinc/38/99/13/445389913.db2.gz PEUGFZFJXRRYEB-STQMWFEESA-N 1 1 332.404 1.508 20 5 EDBDMO Cn1nccc1N1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1=O ZINC000359808425 445439248 /nfs/dbraw/zinc/43/92/48/445439248.db2.gz SRJDNRUKJZXYRR-NSHDSACASA-N 1 1 335.389 1.675 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000357140950 445450805 /nfs/dbraw/zinc/45/08/05/445450805.db2.gz FMUFSJYBCSNBCD-GFCCVEGCSA-N 1 1 337.376 1.826 20 5 EDBDMO CC(C)(O)C[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000352036011 445453904 /nfs/dbraw/zinc/45/39/04/445453904.db2.gz CYUPMWWXBSWAKO-UHFFFAOYSA-N 1 1 349.431 1.788 20 5 EDBDMO CN(C)S(=O)(=O)c1ccc(NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000357153011 445457074 /nfs/dbraw/zinc/45/70/74/445457074.db2.gz UUZYAHRUCRYSMA-LLVKDONJSA-N 1 1 342.421 1.209 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000357291278 445529438 /nfs/dbraw/zinc/52/94/38/445529438.db2.gz OKEKWGZMZBYZAB-ZDUSSCGKSA-N 1 1 348.403 1.832 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362827403 445568995 /nfs/dbraw/zinc/56/89/95/445568995.db2.gz TYTIUYJWGDMWQZ-CJNGLKHVSA-N 1 1 332.404 1.552 20 5 EDBDMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000356050683 445590452 /nfs/dbraw/zinc/59/04/52/445590452.db2.gz XYMIGHMMTVIWLS-OAHLLOKOSA-N 1 1 344.371 1.072 20 5 EDBDMO NC(=O)c1ccc(C[NH+]2CCC(n3cncn3)CC2)c([N+](=O)[O-])c1 ZINC000363105403 445679900 /nfs/dbraw/zinc/67/99/00/445679900.db2.gz VUEZPPVABOOVCJ-UHFFFAOYSA-N 1 1 330.348 1.122 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363259297 445743668 /nfs/dbraw/zinc/74/36/68/445743668.db2.gz MYXUEAQLSPBBLE-MELADBBJSA-N 1 1 333.392 1.042 20 5 EDBDMO C[N@@H+]1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(F)cc1 ZINC000361187890 445751875 /nfs/dbraw/zinc/75/18/75/445751875.db2.gz BLNVHRQAPOOSMD-XJKSGUPXSA-N 1 1 347.350 1.492 20 5 EDBDMO C[N@H+]1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(F)cc1 ZINC000361187890 445751877 /nfs/dbraw/zinc/75/18/77/445751877.db2.gz BLNVHRQAPOOSMD-XJKSGUPXSA-N 1 1 347.350 1.492 20 5 EDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000354006238 445850481 /nfs/dbraw/zinc/85/04/81/445850481.db2.gz LIAJZEPKIUUDOH-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000354011266 445853670 /nfs/dbraw/zinc/85/36/70/445853670.db2.gz ZJKWQULAOPPGFP-LLVKDONJSA-N 1 1 335.360 1.548 20 5 EDBDMO Cc1cc(OCC(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000369175585 445971575 /nfs/dbraw/zinc/97/15/75/445971575.db2.gz WVEISVKAIDYZOD-XJKSGUPXSA-N 1 1 333.388 1.835 20 5 EDBDMO COC(=O)c1cnc(NC[C@H]2CCCn3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000365053804 445995525 /nfs/dbraw/zinc/99/55/25/445995525.db2.gz OUNFDNPESSDELN-SNVBAGLBSA-N 1 1 331.332 1.962 20 5 EDBDMO CC(C)[N@H+](C)C[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583627032 326106793 /nfs/dbraw/zinc/10/67/93/326106793.db2.gz YQMQTLQLKLMOSJ-ZDUSSCGKSA-N 1 1 343.449 1.687 20 5 EDBDMO CC(C)[N@@H+](C)C[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583627032 326106796 /nfs/dbraw/zinc/10/67/96/326106796.db2.gz YQMQTLQLKLMOSJ-ZDUSSCGKSA-N 1 1 343.449 1.687 20 5 EDBDMO CN(C(=O)CN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000373143814 446056570 /nfs/dbraw/zinc/05/65/70/446056570.db2.gz YDXIODFGMSFKOR-BBRMVZONSA-N 1 1 332.404 1.584 20 5 EDBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000359348797 446166803 /nfs/dbraw/zinc/16/68/03/446166803.db2.gz VHFZLPMANUNPQU-ZDUSSCGKSA-N 1 1 333.392 1.543 20 5 EDBDMO C[C@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000362083614 446201894 /nfs/dbraw/zinc/20/18/94/446201894.db2.gz BAGFCGVNOVOAAB-NWDGAFQWSA-N 1 1 335.360 1.453 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000366479202 446231004 /nfs/dbraw/zinc/23/10/04/446231004.db2.gz GTADOYMPAJCTEQ-KRWDZBQOSA-N 1 1 333.388 1.989 20 5 EDBDMO CN(Cc1ccco1)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365510653 446236097 /nfs/dbraw/zinc/23/60/97/446236097.db2.gz LGJTVIBURQQBDW-UHFFFAOYSA-N 1 1 347.375 1.680 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366531934 446250657 /nfs/dbraw/zinc/25/06/57/446250657.db2.gz OHKNXYDABMYTOK-CJNGLKHVSA-N 1 1 348.403 1.328 20 5 EDBDMO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373565498 446262889 /nfs/dbraw/zinc/26/28/89/446262889.db2.gz BTWYPLXKSLNTHQ-KGLIPLIRSA-N 1 1 337.424 1.979 20 5 EDBDMO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373565498 446262893 /nfs/dbraw/zinc/26/28/93/446262893.db2.gz BTWYPLXKSLNTHQ-KGLIPLIRSA-N 1 1 337.424 1.979 20 5 EDBDMO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000373623733 446283582 /nfs/dbraw/zinc/28/35/82/446283582.db2.gz GUEULPUYQKDBGZ-CZUORRHYSA-N 1 1 329.360 1.815 20 5 EDBDMO Cc1nc(N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000370531749 446320885 /nfs/dbraw/zinc/32/08/85/446320885.db2.gz RHWNVKVARGLUMF-UHFFFAOYSA-N 1 1 349.435 1.725 20 5 EDBDMO Cc1nc(N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000370531749 446320888 /nfs/dbraw/zinc/32/08/88/446320888.db2.gz RHWNVKVARGLUMF-UHFFFAOYSA-N 1 1 349.435 1.725 20 5 EDBDMO Cc1cccc(NC[C@H]2CCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])[nH+]1 ZINC000362273837 446298310 /nfs/dbraw/zinc/29/83/10/446298310.db2.gz UMVYWVITCQOFLW-GFCCVEGCSA-N 1 1 344.375 1.748 20 5 EDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCN1c1cccnn1 ZINC000376229032 446391351 /nfs/dbraw/zinc/39/13/51/446391351.db2.gz RWWIFCGPGOPRDF-CYBMUJFWSA-N 1 1 331.380 1.182 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000374881230 446433963 /nfs/dbraw/zinc/43/39/63/446433963.db2.gz NLFBDMNGTGMFAY-HIFRSBDPSA-N 1 1 339.417 1.451 20 5 EDBDMO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000411242348 446440489 /nfs/dbraw/zinc/44/04/89/446440489.db2.gz RNZWAPQKHCHHGT-LLVKDONJSA-N 1 1 334.376 1.441 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000452972547 446521892 /nfs/dbraw/zinc/52/18/92/446521892.db2.gz JBECWKABKPXXBQ-PWSUYJOCSA-N 1 1 341.314 1.972 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000376481771 446524230 /nfs/dbraw/zinc/52/42/30/446524230.db2.gz MHZJWMDSZKXJAV-ZIAGYGMSSA-N 1 1 346.387 1.585 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368086326 446632248 /nfs/dbraw/zinc/63/22/48/446632248.db2.gz WRSDGMJEMCWAAI-GXTWGEPZSA-N 1 1 346.387 1.300 20 5 EDBDMO COc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000420760953 446799151 /nfs/dbraw/zinc/79/91/51/446799151.db2.gz GRZVIVBUUBWJJW-LLVKDONJSA-N 1 1 343.405 1.318 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)c1C ZINC000420758416 446796352 /nfs/dbraw/zinc/79/63/52/446796352.db2.gz COUDMRKENFAUSR-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1cccc(C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000368418997 446850894 /nfs/dbraw/zinc/85/08/94/446850894.db2.gz HSUGJEVCPBITQE-UHFFFAOYSA-N 1 1 335.404 1.822 20 5 EDBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)N1CCOCC1 ZINC000375498766 446851459 /nfs/dbraw/zinc/85/14/59/446851459.db2.gz MNNMGNFYOGGKBL-RHSMWYFYSA-N 1 1 347.415 1.564 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000368663784 447014344 /nfs/dbraw/zinc/01/43/44/447014344.db2.gz RJPOFAOFECSFGS-GJZGRUSLSA-N 1 1 337.351 1.405 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000377197133 446985164 /nfs/dbraw/zinc/98/51/64/446985164.db2.gz PGZVXZYYMBHOJW-ARFHVFGLSA-N 1 1 336.388 1.965 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1C ZINC000413136156 447026749 /nfs/dbraw/zinc/02/67/49/447026749.db2.gz SPVYYZCQFMFLMR-UWVGGRQHSA-N 1 1 348.325 1.900 20 5 EDBDMO CC[N@@H+]1CCO[C@@H](CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000368678048 447028440 /nfs/dbraw/zinc/02/84/40/447028440.db2.gz OPSLTPLUPMFKKG-GOSISDBHSA-N 1 1 348.447 1.433 20 5 EDBDMO CC[N@H+]1CCO[C@@H](CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000368678048 447028446 /nfs/dbraw/zinc/02/84/46/447028446.db2.gz OPSLTPLUPMFKKG-GOSISDBHSA-N 1 1 348.447 1.433 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419328007 447095361 /nfs/dbraw/zinc/09/53/61/447095361.db2.gz DHFOXXBGPRMGFO-VXGBXAGGSA-N 1 1 333.392 1.358 20 5 EDBDMO COc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000377480319 447151606 /nfs/dbraw/zinc/15/16/06/447151606.db2.gz CHNPVBWUQNAXOS-CHWSQXEVSA-N 1 1 335.360 1.196 20 5 EDBDMO Cn1cc[nH+]c1N1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000375934646 447160678 /nfs/dbraw/zinc/16/06/78/447160678.db2.gz WVSQFYCURJRFMC-UHFFFAOYSA-N 1 1 343.387 1.656 20 5 EDBDMO COC(=O)c1cc(C)nc(NCC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000413432804 447179579 /nfs/dbraw/zinc/17/95/79/447179579.db2.gz CPUDWWBUTSZJDV-LBPRGKRZSA-N 1 1 336.392 2.229 20 5 EDBDMO CC1(C)CCC[N@@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000445225083 447179905 /nfs/dbraw/zinc/17/99/05/447179905.db2.gz PVPZYQKGGOHDTK-UHFFFAOYSA-N 1 1 338.412 1.213 20 5 EDBDMO Cc1cc(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c(N)c([N+](=O)[O-])c1 ZINC000372722814 447246500 /nfs/dbraw/zinc/24/65/00/447246500.db2.gz ZRGOVLGLQHSGPQ-LBPRGKRZSA-N 1 1 336.392 1.014 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000372683513 447222077 /nfs/dbraw/zinc/22/20/77/447222077.db2.gz VWRUXJMVWSWIDK-LLVKDONJSA-N 1 1 344.375 1.920 20 5 EDBDMO Cc1nc(NC2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000372784148 447283767 /nfs/dbraw/zinc/28/37/67/447283767.db2.gz LBJNNBDKTFPPLE-UHFFFAOYSA-N 1 1 347.419 1.797 20 5 EDBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372739092 447259860 /nfs/dbraw/zinc/25/98/60/447259860.db2.gz IDUXKUIOZDBBIW-DZGCQCFKSA-N 1 1 334.380 1.031 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000421866076 447263877 /nfs/dbraw/zinc/26/38/77/447263877.db2.gz DEYNFCUJHOQYKV-CQSZACIVSA-N 1 1 335.404 1.740 20 5 EDBDMO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H](C)[N@@H+]1CCO ZINC000450796483 447579471 /nfs/dbraw/zinc/57/94/71/447579471.db2.gz QPXRLAICZDZMRC-AOOOYVTPSA-N 1 1 337.405 1.491 20 5 EDBDMO Cc1c(CC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000416317221 447571688 /nfs/dbraw/zinc/57/16/88/447571688.db2.gz WMJOZQOVNJTDDY-CHWSQXEVSA-N 1 1 335.404 1.359 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000416565301 447648829 /nfs/dbraw/zinc/64/88/29/447648829.db2.gz SPSXOTANUOEJAI-CYBMUJFWSA-N 1 1 341.433 1.913 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@@H](O)[C@H](CO)C3)cs2)c1 ZINC000459714905 447749709 /nfs/dbraw/zinc/74/97/09/447749709.db2.gz UHGWZZAOXDQOIN-SMDDNHRTSA-N 1 1 335.385 1.503 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@@H](O)[C@H](CO)C3)cs2)c1 ZINC000459714905 447749714 /nfs/dbraw/zinc/74/97/14/447749714.db2.gz UHGWZZAOXDQOIN-SMDDNHRTSA-N 1 1 335.385 1.503 20 5 EDBDMO COc1ccc(CC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000530767263 447952899 /nfs/dbraw/zinc/95/28/99/447952899.db2.gz LTXZMILINYRVEB-WCQYABFASA-N 1 1 333.388 1.887 20 5 EDBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[N@H+]1C ZINC000525189923 447975386 /nfs/dbraw/zinc/97/53/86/447975386.db2.gz KLEBEJHBVVMONU-QWRGUYRKSA-N 1 1 328.394 1.093 20 5 EDBDMO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525699703 448013350 /nfs/dbraw/zinc/01/33/50/448013350.db2.gz NWFJWCOTNXZMEM-NSHDSACASA-N 1 1 328.394 1.143 20 5 EDBDMO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525699703 448013354 /nfs/dbraw/zinc/01/33/54/448013354.db2.gz NWFJWCOTNXZMEM-NSHDSACASA-N 1 1 328.394 1.143 20 5 EDBDMO C[C@H]1CC[N@@H+](CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000525307108 447994865 /nfs/dbraw/zinc/99/48/65/447994865.db2.gz SXXFDVXNLRZEQF-LBPRGKRZSA-N 1 1 327.406 1.356 20 5 EDBDMO C[N@H+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000571460521 448158052 /nfs/dbraw/zinc/15/80/52/448158052.db2.gz KNTITHMUCDPQTH-UHFFFAOYSA-N 1 1 327.331 1.968 20 5 EDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+]1CCc2sccc2C1 ZINC000505360618 448115741 /nfs/dbraw/zinc/11/57/41/448115741.db2.gz AGFSZYPRCIBADO-VIFPVBQESA-N 1 1 335.389 1.556 20 5 EDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@H+]1CCc2sccc2C1 ZINC000505360618 448115745 /nfs/dbraw/zinc/11/57/45/448115745.db2.gz AGFSZYPRCIBADO-VIFPVBQESA-N 1 1 335.389 1.556 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])n1C ZINC000491896586 448146001 /nfs/dbraw/zinc/14/60/01/448146001.db2.gz VGIFQAOEYWITCL-HJWRWDBZSA-N 1 1 329.360 1.724 20 5 EDBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1n[nH]c3ccc([N+](=O)[O-])cc31)CC2 ZINC000557662829 448187373 /nfs/dbraw/zinc/18/73/73/448187373.db2.gz GNOQDWGRFUGCNL-JTQLQIEISA-N 1 1 340.343 2.177 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CC[C@@H]21 ZINC000532237963 448219366 /nfs/dbraw/zinc/21/93/66/448219366.db2.gz CLYCGBIMQWRUFF-YPMHNXCESA-N 1 1 347.371 1.880 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000591370592 448347248 /nfs/dbraw/zinc/34/72/48/448347248.db2.gz IHSOOSJKWPWKPF-VXGBXAGGSA-N 1 1 331.376 1.429 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000515641019 448337616 /nfs/dbraw/zinc/33/76/16/448337616.db2.gz IEFHGZIKPDANJU-UHFFFAOYSA-N 1 1 342.403 1.929 20 5 EDBDMO C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+](C2CCC2)C1 ZINC000578195434 448483055 /nfs/dbraw/zinc/48/30/55/448483055.db2.gz FXMRTAGFOVEXTF-GFCCVEGCSA-N 1 1 330.392 1.948 20 5 EDBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)N1 ZINC000588611081 448902799 /nfs/dbraw/zinc/90/27/99/448902799.db2.gz VJEJJSZDIUBVMF-UYZDIKGJSA-N 1 1 330.344 1.282 20 5 EDBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000547730474 448921156 /nfs/dbraw/zinc/92/11/56/448921156.db2.gz USNGFAMKZYFWSI-LLVKDONJSA-N 1 1 335.408 1.812 20 5 EDBDMO Cc1sc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000589924538 449080618 /nfs/dbraw/zinc/08/06/18/449080618.db2.gz GKSDLUZDAZEXFL-KOLCDFICSA-N 1 1 331.419 1.289 20 5 EDBDMO Cc1sc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000589924538 449080625 /nfs/dbraw/zinc/08/06/25/449080625.db2.gz GKSDLUZDAZEXFL-KOLCDFICSA-N 1 1 331.419 1.289 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1C ZINC000589930114 449084619 /nfs/dbraw/zinc/08/46/19/449084619.db2.gz SQQWYPVKRRKAPX-OCCSQVGLSA-N 1 1 339.417 1.536 20 5 EDBDMO O=C1[C@@H]([NH+]2CCC(C3(O)CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000593049259 449113263 /nfs/dbraw/zinc/11/32/63/449113263.db2.gz JKKMNYYTVTYBCY-INIZCTEOSA-N 1 1 345.399 1.937 20 5 EDBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595678625 449115608 /nfs/dbraw/zinc/11/56/08/449115608.db2.gz RPRVKEVLVQPMSK-CZUORRHYSA-N 1 1 347.415 1.967 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000597945016 449154025 /nfs/dbraw/zinc/15/40/25/449154025.db2.gz GLWJNGKZWYSODI-CQSZACIVSA-N 1 1 349.387 1.938 20 5 EDBDMO CCOc1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000590440680 449161267 /nfs/dbraw/zinc/16/12/67/449161267.db2.gz ARBWJXDIURLKNM-RISCZKNCSA-N 1 1 349.387 1.778 20 5 EDBDMO O=C(NC1CC([NH+]2CCOCC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000600067621 449168888 /nfs/dbraw/zinc/16/88/88/449168888.db2.gz VEKMCEALYFFZRR-UHFFFAOYSA-N 1 1 344.371 1.669 20 5 EDBDMO COc1ccc(C(=O)NC2CC([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000600068467 449168932 /nfs/dbraw/zinc/16/89/32/449168932.db2.gz DADFRQIXDKOUFN-UHFFFAOYSA-N 1 1 335.360 1.196 20 5 EDBDMO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000593666769 449139343 /nfs/dbraw/zinc/13/93/43/449139343.db2.gz RJMORIRVBLERMG-UHFFFAOYSA-N 1 1 345.396 1.840 20 5 EDBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007698 449145968 /nfs/dbraw/zinc/14/59/68/449145968.db2.gz XQECHEKXGPCNLR-UHFFFAOYSA-N 1 1 349.387 1.627 20 5 EDBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600007698 449145972 /nfs/dbraw/zinc/14/59/72/449145972.db2.gz XQECHEKXGPCNLR-UHFFFAOYSA-N 1 1 349.387 1.627 20 5 EDBDMO Cn1c(C(=O)N2CCC([N@H+]3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000600007037 449146210 /nfs/dbraw/zinc/14/62/10/449146210.db2.gz MDFCFJQPKZIBNU-UHFFFAOYSA-N 1 1 336.392 1.260 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000590400526 449147388 /nfs/dbraw/zinc/14/73/88/449147388.db2.gz WADKIRSAYKUDFE-CVEARBPZSA-N 1 1 333.388 1.459 20 5 EDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000604243241 449197703 /nfs/dbraw/zinc/19/77/03/449197703.db2.gz OEOJFUFTDQPXOX-QWRGUYRKSA-N 1 1 333.344 1.680 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1C ZINC000611216166 449219675 /nfs/dbraw/zinc/21/96/75/449219675.db2.gz ILOOGAXARRKDSE-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1C ZINC000611216166 449219683 /nfs/dbraw/zinc/21/96/83/449219683.db2.gz ILOOGAXARRKDSE-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCc2ccccc21 ZINC000595876166 449226288 /nfs/dbraw/zinc/22/62/88/449226288.db2.gz FAAFKIMBZZKGIB-GOEBONIOSA-N 1 1 330.388 1.814 20 5 EDBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600230035 449256041 /nfs/dbraw/zinc/25/60/41/449256041.db2.gz OTQBALWGLNURRR-AWEZNQCLSA-N 1 1 348.403 1.280 20 5 EDBDMO C[N@H+]1CC[C@H](CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000602072311 449321956 /nfs/dbraw/zinc/32/19/56/449321956.db2.gz XNIRRVLEVXMSKC-CQSZACIVSA-N 1 1 332.404 1.585 20 5 EDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593557057 449346599 /nfs/dbraw/zinc/34/65/99/449346599.db2.gz RBHYSXKWSZTUJX-LBPRGKRZSA-N 1 1 342.421 1.485 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596078013 449352412 /nfs/dbraw/zinc/35/24/12/449352412.db2.gz YFOHVNNLEKVXGT-LLVKDONJSA-N 1 1 342.421 1.529 20 5 EDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593540133 449335203 /nfs/dbraw/zinc/33/52/03/449335203.db2.gz LBISJQKNPIHJEH-AWEZNQCLSA-N 1 1 339.367 1.192 20 5 EDBDMO Cc1cc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc([N+](=O)[O-])c1 ZINC000598452805 449401844 /nfs/dbraw/zinc/40/18/44/449401844.db2.gz MJUSJMQBHXUYLW-INIZCTEOSA-N 1 1 333.388 1.574 20 5 EDBDMO CNc1c(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000598455011 449404651 /nfs/dbraw/zinc/40/46/51/449404651.db2.gz YXWKRMSHKLFLTB-ZDUSSCGKSA-N 1 1 348.403 1.308 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000598611820 449492631 /nfs/dbraw/zinc/49/26/31/449492631.db2.gz PXRVHXIQCDDDQY-OLZOCXBDSA-N 1 1 339.417 1.536 20 5 EDBDMO COc1c(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000594345115 449459361 /nfs/dbraw/zinc/45/93/61/449459361.db2.gz SCODZNKVCLJVFT-UHFFFAOYSA-N 1 1 331.332 1.289 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000612030434 449527973 /nfs/dbraw/zinc/52/79/73/449527973.db2.gz HDILVIJBGVJZRW-GJZGRUSLSA-N 1 1 346.387 1.868 20 5 EDBDMO Cn1cc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c([N+](=O)[O-])n1 ZINC000602444308 449592579 /nfs/dbraw/zinc/59/25/79/449592579.db2.gz FXIVCSIHJJDMOY-UHFFFAOYSA-N 1 1 331.380 1.246 20 5 EDBDMO CCCCN(C)C(=O)C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602450428 449596776 /nfs/dbraw/zinc/59/67/76/449596776.db2.gz VQSNUZFIGMWAHV-UHFFFAOYSA-N 1 1 337.424 1.799 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000600967090 449621523 /nfs/dbraw/zinc/62/15/23/449621523.db2.gz XMDKJJBDPRYSPX-LBPRGKRZSA-N 1 1 339.367 1.821 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594801849 449714394 /nfs/dbraw/zinc/71/43/94/449714394.db2.gz UCWJDZXDRKLHIR-NSHDSACASA-N 1 1 327.406 1.746 20 5 EDBDMO COC(=O)c1ccnc(N2CC[NH+](CCCF)CC2)c1[N+](=O)[O-] ZINC000599092514 449727722 /nfs/dbraw/zinc/72/77/22/449727722.db2.gz JJQFSSMQWWWOGL-UHFFFAOYSA-N 1 1 326.328 1.258 20 5 EDBDMO CS(=O)(=O)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601101871 449690928 /nfs/dbraw/zinc/69/09/28/449690928.db2.gz ZJRQLLBDNUYRFN-UHFFFAOYSA-N 1 1 336.373 1.225 20 5 EDBDMO C[N@H+]1CCCC[C@@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000599138129 449758824 /nfs/dbraw/zinc/75/88/24/449758824.db2.gz GRVSSRGYEIVVGR-NSHDSACASA-N 1 1 342.421 1.386 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000601291801 449802755 /nfs/dbraw/zinc/80/27/55/449802755.db2.gz IJOMULXHFFZEPQ-UHFFFAOYSA-N 1 1 331.369 1.416 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000602794926 449815198 /nfs/dbraw/zinc/81/51/98/449815198.db2.gz PXZSTTKCXHEIST-OLZOCXBDSA-N 1 1 344.437 1.387 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000602794926 449815201 /nfs/dbraw/zinc/81/52/01/449815201.db2.gz PXZSTTKCXHEIST-OLZOCXBDSA-N 1 1 344.437 1.387 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCS(=O)(=O)NC(C)C ZINC000595013508 449841121 /nfs/dbraw/zinc/84/11/21/449841121.db2.gz IYUUIEFOYCBTGY-NSHDSACASA-N 1 1 345.421 1.582 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601357759 449870788 /nfs/dbraw/zinc/87/07/88/449870788.db2.gz WNKZZXSJPGNKPV-SNVBAGLBSA-N 1 1 333.435 1.679 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601357759 449870795 /nfs/dbraw/zinc/87/07/95/449870795.db2.gz WNKZZXSJPGNKPV-SNVBAGLBSA-N 1 1 333.435 1.679 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC000595110624 449873962 /nfs/dbraw/zinc/87/39/62/449873962.db2.gz NWCFBFBEALZHDL-AWEZNQCLSA-N 1 1 348.403 1.648 20 5 EDBDMO CC[N@@H+]1[C@H](C)CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000602872917 449881242 /nfs/dbraw/zinc/88/12/42/449881242.db2.gz DBEYCURKRCZWCA-OKILXGFUSA-N 1 1 346.431 1.898 20 5 EDBDMO CCN1CCN(CC(C)(C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602837280 449847229 /nfs/dbraw/zinc/84/72/29/449847229.db2.gz KZRWAKSEOWVYFY-UHFFFAOYSA-N 1 1 338.456 1.105 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000595191793 449935184 /nfs/dbraw/zinc/93/51/84/449935184.db2.gz DXUOETHUPQSHTO-GFCCVEGCSA-N 1 1 334.376 1.442 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000602916629 449919761 /nfs/dbraw/zinc/91/97/61/449919761.db2.gz OPXJNUPOCJZPHX-AWEZNQCLSA-N 1 1 338.408 1.353 20 5 EDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000609269418 449995263 /nfs/dbraw/zinc/99/52/63/449995263.db2.gz QACHYDDVFNCLHL-CYBMUJFWSA-N 1 1 337.376 1.201 20 5 EDBDMO CC(C)(C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000609309859 450003793 /nfs/dbraw/zinc/00/37/93/450003793.db2.gz PGIUCIDHXXJBSF-LBPRGKRZSA-N 1 1 335.408 1.660 20 5 EDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609412894 450025094 /nfs/dbraw/zinc/02/50/94/450025094.db2.gz DAOGHXOPWJMAGE-JTQLQIEISA-N 1 1 333.344 1.538 20 5 EDBDMO CNC(=O)CCOC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595333764 450048782 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CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000911199210 592952143 /nfs/dbraw/zinc/95/21/43/592952143.db2.gz BYZFKVPETSVCLZ-GFCCVEGCSA-N 1 1 349.387 1.922 20 5 EDBDMO O=C(Cc1cncnc1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000838965214 593243930 /nfs/dbraw/zinc/24/39/30/593243930.db2.gz SBAYHHQPSZLTTB-INIZCTEOSA-N 1 1 342.355 1.745 20 5 EDBDMO O=C(Cc1cncnc1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000838965214 593243932 /nfs/dbraw/zinc/24/39/32/593243932.db2.gz SBAYHHQPSZLTTB-INIZCTEOSA-N 1 1 342.355 1.745 20 5 EDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000839392855 593296869 /nfs/dbraw/zinc/29/68/69/593296869.db2.gz RAFRDLFILNFTJW-LLVKDONJSA-N 1 1 336.348 1.978 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000839392855 593296871 /nfs/dbraw/zinc/29/68/71/593296871.db2.gz RAFRDLFILNFTJW-LLVKDONJSA-N 1 1 336.348 1.978 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000840151615 593301692 /nfs/dbraw/zinc/30/16/92/593301692.db2.gz IFDQUZGJZDAIGM-GFCCVEGCSA-N 1 1 346.387 1.563 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2C1 ZINC000812320186 593495928 /nfs/dbraw/zinc/49/59/28/593495928.db2.gz CCRNKFABIBJOFU-NEPJUHHUSA-N 1 1 337.351 1.523 20 5 EDBDMO CC[NH+]1CCN(c2ccc(C(=O)O[C@H](C)C[N+](=O)[O-])cc2F)CC1 ZINC000814038602 593570022 /nfs/dbraw/zinc/57/00/22/593570022.db2.gz FDFLTCMPBXLZIJ-GFCCVEGCSA-N 1 1 339.367 1.790 20 5 EDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821088823 593963161 /nfs/dbraw/zinc/96/31/61/593963161.db2.gz XQFOLQXUVHCVJK-LBPRGKRZSA-N 1 1 345.407 1.943 20 5 EDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821254409 593998734 /nfs/dbraw/zinc/99/87/34/593998734.db2.gz LXSJXMKLTABZLC-YPMHNXCESA-N 1 1 343.391 1.838 20 5 EDBDMO C[N@H+]1CCCC12CCN(c1ccc(-c3nn[nH]n3)cc1[N+](=O)[O-])CC2 ZINC000826034464 594312059 /nfs/dbraw/zinc/31/20/59/594312059.db2.gz RKZBZLLRJJAJTG-UHFFFAOYSA-N 1 1 343.391 1.840 20 5 EDBDMO CCOC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC12COC2 ZINC000830269088 594365436 /nfs/dbraw/zinc/36/54/36/594365436.db2.gz JJKYJHAJOASMKO-CYBMUJFWSA-N 1 1 338.335 1.745 20 5 EDBDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC12COC2 ZINC000830269088 594365440 /nfs/dbraw/zinc/36/54/40/594365440.db2.gz JJKYJHAJOASMKO-CYBMUJFWSA-N 1 1 338.335 1.745 20 5 EDBDMO Cc1[nH+]ccn1CCCN(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000826330816 594428975 /nfs/dbraw/zinc/42/89/75/594428975.db2.gz JAHCXNLCGVVKIL-UHFFFAOYSA-N 1 1 342.363 1.806 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000828757600 594496343 /nfs/dbraw/zinc/49/63/43/594496343.db2.gz OZCMDSSYAHKALG-GFCCVEGCSA-N 1 1 337.351 1.528 20 5 EDBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000841525583 594915230 /nfs/dbraw/zinc/91/52/30/594915230.db2.gz ZYDVDVBAHVVGEH-SNVBAGLBSA-N 1 1 347.824 1.787 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834592261 595170213 /nfs/dbraw/zinc/17/02/13/595170213.db2.gz LAEZHRLORPTZAI-KGLIPLIRSA-N 1 1 325.315 1.992 20 5 EDBDMO C[C@@H](C(=O)NOC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000846650049 595293235 /nfs/dbraw/zinc/29/32/35/595293235.db2.gz MJVLYLKMSSZZOL-SNVBAGLBSA-N 1 1 325.340 1.979 20 5 EDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848488051 595393425 /nfs/dbraw/zinc/39/34/25/595393425.db2.gz FJODXHNNHAFPAW-CYBMUJFWSA-N 1 1 343.387 1.826 20 5 EDBDMO O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848774012 595444924 /nfs/dbraw/zinc/44/49/24/595444924.db2.gz IQWRYDKYRCZOIV-OAHLLOKOSA-N 1 1 344.371 1.857 20 5 EDBDMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000108333176 595492463 /nfs/dbraw/zinc/49/24/63/595492463.db2.gz LQWTUHDVQFQFNI-NSHDSACASA-N 1 1 336.348 1.883 20 5 EDBDMO Cc1ccc(O[C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)nc1 ZINC000858041626 595688239 /nfs/dbraw/zinc/68/82/39/595688239.db2.gz LBJKEKFSPBCSBT-OAHLLOKOSA-N 1 1 344.371 1.613 20 5 EDBDMO COC(=O)[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@@H]1C ZINC000853507954 595774816 /nfs/dbraw/zinc/77/48/16/595774816.db2.gz GBFILFXMECIIEP-NEPJUHHUSA-N 1 1 345.359 1.694 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@@H]1C ZINC000853507954 595774817 /nfs/dbraw/zinc/77/48/17/595774817.db2.gz GBFILFXMECIIEP-NEPJUHHUSA-N 1 1 345.359 1.694 20 5 EDBDMO CN(C)C(=O)[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853516844 595779777 /nfs/dbraw/zinc/77/97/77/595779777.db2.gz WNVCPWGMXIVIMX-GFCCVEGCSA-N 1 1 344.375 1.221 20 5 EDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853516844 595779779 /nfs/dbraw/zinc/77/97/79/595779779.db2.gz WNVCPWGMXIVIMX-GFCCVEGCSA-N 1 1 344.375 1.221 20 5 EDBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H](Cn4ccnn4)C3)c2c1 ZINC000853522968 595783482 /nfs/dbraw/zinc/78/34/82/595783482.db2.gz RUNNAFIENVJJHX-LBPRGKRZSA-N 1 1 327.348 1.516 20 5 EDBDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ccn1 ZINC000856623941 596037973 /nfs/dbraw/zinc/03/79/73/596037973.db2.gz DUYWHAZYUGVZGY-ARFHVFGLSA-N 1 1 348.403 1.178 20 5 EDBDMO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccn1 ZINC000856623941 596037975 /nfs/dbraw/zinc/03/79/75/596037975.db2.gz DUYWHAZYUGVZGY-ARFHVFGLSA-N 1 1 348.403 1.178 20 5 EDBDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccn1 ZINC000856623941 596037978 /nfs/dbraw/zinc/03/79/78/596037978.db2.gz DUYWHAZYUGVZGY-ARFHVFGLSA-N 1 1 348.403 1.178 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)CN2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000859353547 596061560 /nfs/dbraw/zinc/06/15/60/596061560.db2.gz GDSVYBMRQCMPCU-QGZVFWFLSA-N 1 1 335.404 1.425 20 5 EDBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000854589233 596128921 /nfs/dbraw/zinc/12/89/21/596128921.db2.gz FYUDJCOOINLJEU-UHFFFAOYSA-N 1 1 339.779 1.652 20 5 EDBDMO COc1ccc(NC(=O)COC(=O)Cn2c[nH+]cc2C)c([N+](=O)[O-])c1 ZINC000859952176 596233049 /nfs/dbraw/zinc/23/30/49/596233049.db2.gz VUQHEDIXAJGPNR-UHFFFAOYSA-N 1 1 348.315 1.290 20 5 EDBDMO C/C(=C\C(=O)NC1CC([NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000862107756 596239957 /nfs/dbraw/zinc/23/99/57/596239957.db2.gz NRXYXNAYZWPCAL-JLHYYAGUSA-N 1 1 345.399 1.978 20 5 EDBDMO C[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863323036 596550706 /nfs/dbraw/zinc/55/07/06/596550706.db2.gz ZDQSOVKFJURILM-JNSHFYNHSA-N 1 1 329.360 1.612 20 5 EDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000869781114 596633293 /nfs/dbraw/zinc/63/32/93/596633293.db2.gz FRLLMHKEBHBOFM-NSHDSACASA-N 1 1 325.340 1.309 20 5 EDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000869785829 596637462 /nfs/dbraw/zinc/63/74/62/596637462.db2.gz GSMCHWGELCNQRK-NSHDSACASA-N 1 1 341.795 1.823 20 5 EDBDMO COCC[NH+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865787135 596682856 /nfs/dbraw/zinc/68/28/56/596682856.db2.gz IPQXUFLQEAIRLA-UHFFFAOYSA-N 1 1 325.340 1.067 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC000874840567 597194100 /nfs/dbraw/zinc/19/41/00/597194100.db2.gz PJBCKTPXTYHYNM-KBPBESRZSA-N 1 1 335.408 1.493 20 5 EDBDMO COc1ccc(CC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874840194 597194175 /nfs/dbraw/zinc/19/41/75/597194175.db2.gz KRZOHZVHEMBUEE-ZIAGYGMSSA-N 1 1 333.388 1.841 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719572 597550733 /nfs/dbraw/zinc/55/07/33/597550733.db2.gz ADJRUIZUVWOEHX-BETUJISGSA-N 1 1 333.344 1.040 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880136242 597852878 /nfs/dbraw/zinc/85/28/78/597852878.db2.gz IJLJVIAEVHXRAE-RBSFLKMASA-N 1 1 335.404 1.503 20 5 EDBDMO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880136242 597852880 /nfs/dbraw/zinc/85/28/80/597852880.db2.gz IJLJVIAEVHXRAE-RBSFLKMASA-N 1 1 335.404 1.503 20 5 EDBDMO CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880136242 597852881 /nfs/dbraw/zinc/85/28/81/597852881.db2.gz IJLJVIAEVHXRAE-RBSFLKMASA-N 1 1 335.404 1.503 20 5 EDBDMO CNC(=O)NC[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000879334808 597889816 /nfs/dbraw/zinc/88/98/16/597889816.db2.gz NGFQJSHRWTVBMZ-AWEZNQCLSA-N 1 1 336.392 1.757 20 5 EDBDMO CCOC(=O)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000879367080 597900676 /nfs/dbraw/zinc/90/06/76/597900676.db2.gz CQLFDOPJQWURRC-NSHDSACASA-N 1 1 332.307 1.312 20 5 EDBDMO CCOC(=O)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000879367080 597900679 /nfs/dbraw/zinc/90/06/79/597900679.db2.gz CQLFDOPJQWURRC-NSHDSACASA-N 1 1 332.307 1.312 20 5 EDBDMO CO[C@H]1COCC[C@@H]1[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000880431046 597931591 /nfs/dbraw/zinc/93/15/91/597931591.db2.gz XZSLDPNWSKGLNH-GJZGRUSLSA-N 1 1 337.376 1.577 20 5 EDBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000880431046 597931593 /nfs/dbraw/zinc/93/15/93/597931593.db2.gz XZSLDPNWSKGLNH-GJZGRUSLSA-N 1 1 337.376 1.577 20 5 EDBDMO COc1cc(C[N@@H+](C)[C@@H]2CCOC[C@@H]2OC)c([N+](=O)[O-])cc1F ZINC000880433391 597932826 /nfs/dbraw/zinc/93/28/26/597932826.db2.gz WLDQBKHSRLJEGF-DOMZBBRYSA-N 1 1 328.340 1.978 20 5 EDBDMO COc1cc(C[N@H+](C)[C@@H]2CCOC[C@@H]2OC)c([N+](=O)[O-])cc1F ZINC000880433391 597932830 /nfs/dbraw/zinc/93/28/30/597932830.db2.gz WLDQBKHSRLJEGF-DOMZBBRYSA-N 1 1 328.340 1.978 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880586062 597972393 /nfs/dbraw/zinc/97/23/93/597972393.db2.gz MTCPYJZRSBBTGH-OAHLLOKOSA-N 1 1 336.388 1.837 20 5 EDBDMO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000882764179 598046616 /nfs/dbraw/zinc/04/66/16/598046616.db2.gz MDCQGHZJVUCZRQ-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000882764179 598046619 /nfs/dbraw/zinc/04/66/19/598046619.db2.gz MDCQGHZJVUCZRQ-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000738358815 598504413 /nfs/dbraw/zinc/50/44/13/598504413.db2.gz OXYCWDWXONQWIZ-GFCCVEGCSA-N 1 1 329.364 1.671 20 5 EDBDMO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000917223566 696975281 /nfs/dbraw/zinc/97/52/81/696975281.db2.gz KGRJTDLMTPESHT-UONOGXRCSA-N 1 1 349.435 1.591 20 5 EDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccnnc1 ZINC001032004197 702738056 /nfs/dbraw/zinc/73/80/56/702738056.db2.gz WMSFTQVLKWVIIY-UHFFFAOYSA-N 1 1 327.344 1.247 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC000996430011 702784144 /nfs/dbraw/zinc/78/41/44/702784144.db2.gz YHIIRUYEJLILNY-QZTJIDSGSA-N 1 1 343.427 1.921 20 5 EDBDMO Cc1c(NC(=O)N2CCN(C)CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000929222321 703413995 /nfs/dbraw/zinc/41/39/95/703413995.db2.gz FXVQAKMYPIIMRK-UHFFFAOYSA-N 1 1 335.408 1.614 20 5 EDBDMO COc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccn1 ZINC000997767490 704671001 /nfs/dbraw/zinc/67/10/01/704671001.db2.gz GCEBFZVHWJNEGB-HUUCEWRRSA-N 1 1 348.403 1.084 20 5 EDBDMO C[C@H]1C[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[N@H+]1C ZINC000356067099 704826367 /nfs/dbraw/zinc/82/63/67/704826367.db2.gz XBDPHABXQHFDLU-STQMWFEESA-N 1 1 335.408 1.685 20 5 EDBDMO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052671833 214139073 /nfs/dbraw/zinc/13/90/73/214139073.db2.gz XQBQIISSQGRSBA-CYBMUJFWSA-N 1 1 327.406 1.151 20 5 EDBDMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052671833 214139075 /nfs/dbraw/zinc/13/90/75/214139075.db2.gz XQBQIISSQGRSBA-CYBMUJFWSA-N 1 1 327.406 1.151 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000054463330 214239837 /nfs/dbraw/zinc/23/98/37/214239837.db2.gz DWYHUWCZKZYXDN-CQSZACIVSA-N 1 1 336.392 1.385 20 5 EDBDMO Cc1ccc([C@H](C)NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000177841385 232009161 /nfs/dbraw/zinc/00/91/61/232009161.db2.gz KGZGQYZTQPCKHU-KBPBESRZSA-N 1 1 334.420 1.716 20 5 EDBDMO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000412697907 304028341 /nfs/dbraw/zinc/02/83/41/304028341.db2.gz MSZXMXLPLTXWQK-CYBMUJFWSA-N 1 1 343.387 1.675 20 5 EDBDMO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000412697907 304028342 /nfs/dbraw/zinc/02/83/42/304028342.db2.gz MSZXMXLPLTXWQK-CYBMUJFWSA-N 1 1 343.387 1.675 20 5 EDBDMO Cc1c(CC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000090464664 138279003 /nfs/dbraw/zinc/27/90/03/138279003.db2.gz XYWIRUCKFDGOOI-HZPDHXFCSA-N 1 1 347.415 1.815 20 5 EDBDMO Cc1c(CC(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000090464664 138279004 /nfs/dbraw/zinc/27/90/04/138279004.db2.gz XYWIRUCKFDGOOI-HZPDHXFCSA-N 1 1 347.415 1.815 20 5 EDBDMO COC(=O)[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413509095 304064580 /nfs/dbraw/zinc/06/45/80/304064580.db2.gz XYUNRMSMRNHSOL-SNVBAGLBSA-N 1 1 327.768 1.789 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186796699 236023912 /nfs/dbraw/zinc/02/39/12/236023912.db2.gz LVDFJOUIFRXOMP-LBPRGKRZSA-N 1 1 348.403 1.266 20 5 EDBDMO Cc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000186929647 236067692 /nfs/dbraw/zinc/06/76/92/236067692.db2.gz PIGJSVVRUVXPAK-CYBMUJFWSA-N 1 1 335.404 1.820 20 5 EDBDMO NC(=O)c1ccnc(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000357108787 283388166 /nfs/dbraw/zinc/38/81/66/283388166.db2.gz VFPCNIPWMGJBAZ-UHFFFAOYSA-N 1 1 341.371 1.411 20 5 EDBDMO CCOc1cc(NCC(=O)N2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000181037670 138764407 /nfs/dbraw/zinc/76/44/07/138764407.db2.gz VRUIUGMGEURYIX-UHFFFAOYSA-N 1 1 336.392 1.570 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000072075772 216003548 /nfs/dbraw/zinc/00/35/48/216003548.db2.gz XQVPCRHPXTWHHH-DGCLKSJQSA-N 1 1 335.360 1.196 20 5 EDBDMO O=C(CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000459499445 283781272 /nfs/dbraw/zinc/78/12/72/283781272.db2.gz AWXTVHWQTISPQU-UHFFFAOYSA-N 1 1 347.419 1.514 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[C@@H](C[N@@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000078583709 217080361 /nfs/dbraw/zinc/08/03/61/217080361.db2.gz OYVZTRKKHAWMCB-LBPRGKRZSA-N 1 1 336.392 1.945 20 5 EDBDMO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000237746588 139059404 /nfs/dbraw/zinc/05/94/04/139059404.db2.gz IDDRTRMNUZAZPK-UHFFFAOYSA-N 1 1 349.412 1.971 20 5 EDBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000245514707 139077589 /nfs/dbraw/zinc/07/75/89/139077589.db2.gz CLFLYJQWEDYWNH-ZYHUDNBSSA-N 1 1 335.360 1.782 20 5 EDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@H]1O ZINC000245536499 139078349 /nfs/dbraw/zinc/07/83/49/139078349.db2.gz GCIJHZHTEMIRNX-UKPHBRMFSA-N 1 1 338.404 1.817 20 5 EDBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245938029 139090713 /nfs/dbraw/zinc/09/07/13/139090713.db2.gz ZVLIKFFECLECSK-RYUDHWBXSA-N 1 1 339.396 1.185 20 5 EDBDMO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245938029 139090714 /nfs/dbraw/zinc/09/07/14/139090714.db2.gz ZVLIKFFECLECSK-RYUDHWBXSA-N 1 1 339.396 1.185 20 5 EDBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245938029 139090715 /nfs/dbraw/zinc/09/07/15/139090715.db2.gz ZVLIKFFECLECSK-RYUDHWBXSA-N 1 1 339.396 1.185 20 5 EDBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246083486 139094171 /nfs/dbraw/zinc/09/41/71/139094171.db2.gz LCMDOOVWJKUSIN-NSHDSACASA-N 1 1 343.380 1.511 20 5 EDBDMO COC(=O)c1cnc(N2CCC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000373059720 284599685 /nfs/dbraw/zinc/59/96/85/284599685.db2.gz RAKCXCVFJNEDFX-NSHDSACASA-N 1 1 345.359 1.894 20 5 EDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000248458300 139164918 /nfs/dbraw/zinc/16/49/18/139164918.db2.gz MWKMAEDCSWITKA-OFQRWUPVSA-N 1 1 338.404 1.817 20 5 EDBDMO CNC(=O)CCC[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000093717734 218243635 /nfs/dbraw/zinc/24/36/35/218243635.db2.gz ZYASMKXLUDLYPG-UHFFFAOYSA-N 1 1 325.365 1.570 20 5 EDBDMO CCc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000261631552 139212877 /nfs/dbraw/zinc/21/28/77/139212877.db2.gz BDJZXJJXNDRUHY-HNNXBMFYSA-N 1 1 343.387 1.677 20 5 EDBDMO NC(=O)c1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000261701873 139218918 /nfs/dbraw/zinc/21/89/18/139218918.db2.gz OULNMLDAGQJSTQ-HNNXBMFYSA-N 1 1 332.404 1.658 20 5 EDBDMO O=C(NC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]1 ZINC000262256481 139264070 /nfs/dbraw/zinc/26/40/70/139264070.db2.gz QSTUNCWDPNVVNG-NVXWUHKLSA-N 1 1 346.431 1.675 20 5 EDBDMO CNC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000420968559 251796481 /nfs/dbraw/zinc/79/64/81/251796481.db2.gz CDTOZFVWGLYUKN-LBPRGKRZSA-N 1 1 334.376 1.300 20 5 EDBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368639488 285155042 /nfs/dbraw/zinc/15/50/42/285155042.db2.gz VPYDZZPEKJYMJA-YUMQZZPRSA-N 1 1 337.760 1.227 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437841925 254538716 /nfs/dbraw/zinc/53/87/16/254538716.db2.gz KMUIRMKFMGFEHY-ZDUSSCGKSA-N 1 1 335.408 1.855 20 5 EDBDMO CCOC(=O)c1cc(C(=O)NCC[N@@H+](CC)C2CC2)cc([N+](=O)[O-])c1 ZINC000263657083 139350293 /nfs/dbraw/zinc/35/02/93/139350293.db2.gz ABJZYPVWQBARAB-UHFFFAOYSA-N 1 1 349.387 1.986 20 5 EDBDMO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000114141435 220640817 /nfs/dbraw/zinc/64/08/17/220640817.db2.gz JOMSHDLXAXZQTL-AWEZNQCLSA-N 1 1 349.435 1.006 20 5 EDBDMO Cc1nn(CCC(=O)NCCCn2cc[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000263851506 139364637 /nfs/dbraw/zinc/36/46/37/139364637.db2.gz VJGOVFHHDQKDMX-UHFFFAOYSA-N 1 1 334.380 1.510 20 5 EDBDMO CC(C)[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000488005098 255040214 /nfs/dbraw/zinc/04/02/14/255040214.db2.gz YAWKACCRKAUHQH-KRWDZBQOSA-N 1 1 346.431 1.756 20 5 EDBDMO COCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000490093160 255078819 /nfs/dbraw/zinc/07/88/19/255078819.db2.gz SEWINXNAPXKITQ-ZDUSSCGKSA-N 1 1 340.376 1.720 20 5 EDBDMO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000495412524 255283326 /nfs/dbraw/zinc/28/33/26/255283326.db2.gz MECRFDOVZGVNFV-UHFFFAOYSA-N 1 1 339.392 1.914 20 5 EDBDMO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000495412524 255283327 /nfs/dbraw/zinc/28/33/27/255283327.db2.gz MECRFDOVZGVNFV-UHFFFAOYSA-N 1 1 339.392 1.914 20 5 EDBDMO COCC[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000117285793 221043206 /nfs/dbraw/zinc/04/32/06/221043206.db2.gz ZUMUBDWZBMSKTQ-SNVBAGLBSA-N 1 1 340.355 1.109 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000117285793 221043208 /nfs/dbraw/zinc/04/32/08/221043208.db2.gz ZUMUBDWZBMSKTQ-SNVBAGLBSA-N 1 1 340.355 1.109 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118126096 221125429 /nfs/dbraw/zinc/12/54/29/221125429.db2.gz VGEUZOHGGAYWDX-CQSZACIVSA-N 1 1 334.376 1.524 20 5 EDBDMO CC(C)(C)[C@H](O)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000264292394 139394376 /nfs/dbraw/zinc/39/43/76/139394376.db2.gz OIXABVPGNALZGW-OAHLLOKOSA-N 1 1 335.404 1.760 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(c3ccc(C(=O)NC)cc3[N+](=O)[O-])[C@H]2C1 ZINC000338735072 285380907 /nfs/dbraw/zinc/38/09/07/285380907.db2.gz ZPZMWGRHZDICNB-HOTGVXAUSA-N 1 1 348.403 1.254 20 5 EDBDMO Cc1ccc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000270348571 140083883 /nfs/dbraw/zinc/08/38/83/140083883.db2.gz FMTGCGUOKLTYLH-UHFFFAOYSA-N 1 1 335.404 1.822 20 5 EDBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1O ZINC000270971696 140210733 /nfs/dbraw/zinc/21/07/33/140210733.db2.gz WGQRSNCNYUKGHV-SMDDNHRTSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416298269 304305007 /nfs/dbraw/zinc/30/50/07/304305007.db2.gz QLNQGQYGKIIIDP-NEPJUHHUSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416298269 304305009 /nfs/dbraw/zinc/30/50/09/304305009.db2.gz QLNQGQYGKIIIDP-NEPJUHHUSA-N 1 1 337.376 1.131 20 5 EDBDMO C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccccc1[N+](=O)[O-] ZINC000271708593 140337300 /nfs/dbraw/zinc/33/73/00/140337300.db2.gz OYFHQPNBGDGNOC-OLZOCXBDSA-N 1 1 335.408 1.201 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000331367770 141012240 /nfs/dbraw/zinc/01/22/40/141012240.db2.gz BOMKPKVUSWTBFU-NHYWBVRUSA-N 1 1 339.417 1.497 20 5 EDBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331599261 141054648 /nfs/dbraw/zinc/05/46/48/141054648.db2.gz CMNZQGMYNJRAFI-HIFRSBDPSA-N 1 1 347.415 1.967 20 5 EDBDMO CCNC(=O)[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000339322146 142014645 /nfs/dbraw/zinc/01/46/45/142014645.db2.gz UTAJSKFRXULBEP-CQSZACIVSA-N 1 1 336.392 1.592 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345923002 143147547 /nfs/dbraw/zinc/14/75/47/143147547.db2.gz PSYGWBDFDKMEIN-ZIAGYGMSSA-N 1 1 334.420 1.972 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCN3C(=O)CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000346451166 143206171 /nfs/dbraw/zinc/20/61/71/143206171.db2.gz JJXXJRUFIRTWBS-ZDUSSCGKSA-N 1 1 346.387 1.538 20 5 EDBDMO CO[C@@H]1C[C@H](CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)[N@@H+](C)C1 ZINC000346620144 143222850 /nfs/dbraw/zinc/22/28/50/143222850.db2.gz MFCGDDAOQCYTIH-HUUCEWRRSA-N 1 1 336.392 1.455 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000346664685 143228726 /nfs/dbraw/zinc/22/87/26/143228726.db2.gz OFAXIGTVCBIQIS-ZMLRMANQSA-N 1 1 334.376 1.283 20 5 EDBDMO CO[C@@H]1C[C@H](CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)[N@@H+](C)C1 ZINC000346703137 143234699 /nfs/dbraw/zinc/23/46/99/143234699.db2.gz VUEWSKJNFFUKAG-GHMZBOCLSA-N 1 1 340.355 1.107 20 5 EDBDMO Cc1nn(CCC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c(C)c1[N+](=O)[O-] ZINC000347315490 143307395 /nfs/dbraw/zinc/30/73/95/143307395.db2.gz QDVJAMZZVKPBIZ-OAHLLOKOSA-N 1 1 349.435 1.931 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416496917 304325436 /nfs/dbraw/zinc/32/54/36/304325436.db2.gz RHEHICDGEDJOIN-LBPRGKRZSA-N 1 1 327.406 1.442 20 5 EDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000347701113 143351640 /nfs/dbraw/zinc/35/16/40/143351640.db2.gz KRXCDPHKILJXNI-BETUJISGSA-N 1 1 337.424 1.816 20 5 EDBDMO CN1CC[C@@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1=O ZINC000352659037 149104983 /nfs/dbraw/zinc/10/49/83/149104983.db2.gz HTOHCLORJAFTCZ-GFCCVEGCSA-N 1 1 348.359 1.055 20 5 EDBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352872715 149198229 /nfs/dbraw/zinc/19/82/29/149198229.db2.gz FBXPFWQEZMMALO-KCQAQPDRSA-N 1 1 326.397 1.168 20 5 EDBDMO COC(=O)c1cc(C(=O)NCC[N@H+]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000355433622 150266004 /nfs/dbraw/zinc/26/60/04/150266004.db2.gz FMKUHCBVBMRZCE-UHFFFAOYSA-N 1 1 333.344 1.373 20 5 EDBDMO COC(=O)c1cc(C(=O)NCC[N@@H+]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000355433622 150266007 /nfs/dbraw/zinc/26/60/07/150266007.db2.gz FMKUHCBVBMRZCE-UHFFFAOYSA-N 1 1 333.344 1.373 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+](C)CCn2cccn2)cc1[N+](=O)[O-] ZINC000355735363 150379776 /nfs/dbraw/zinc/37/97/76/150379776.db2.gz NSOCNXAMAWGLQG-UHFFFAOYSA-N 1 1 348.359 1.475 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000358014440 151235132 /nfs/dbraw/zinc/23/51/32/151235132.db2.gz KFHVAKOIFFUBQG-UHFFFAOYSA-N 1 1 346.347 1.081 20 5 EDBDMO Cc1cc(OC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000358500234 151397637 /nfs/dbraw/zinc/39/76/37/151397637.db2.gz YXAZZJORIYSEPS-XQQFMLRXSA-N 1 1 342.367 1.891 20 5 EDBDMO Cc1cc(OC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000358500234 151397639 /nfs/dbraw/zinc/39/76/39/151397639.db2.gz YXAZZJORIYSEPS-XQQFMLRXSA-N 1 1 342.367 1.891 20 5 EDBDMO Cc1c(NC(=O)CCN2CC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000360541783 152086644 /nfs/dbraw/zinc/08/66/44/152086644.db2.gz AVONVLYUBJISIF-QGZVFWFLSA-N 1 1 332.404 1.917 20 5 EDBDMO COCC[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000361260371 152347397 /nfs/dbraw/zinc/34/73/97/152347397.db2.gz BSDZBCFSYCFQNC-GFCCVEGCSA-N 1 1 333.392 1.624 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000364032054 153127431 /nfs/dbraw/zinc/12/74/31/153127431.db2.gz HJIWRTVFPUHLRK-ZIAGYGMSSA-N 1 1 335.408 1.575 20 5 EDBDMO C[N@@H+](CCNC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000364376085 153220845 /nfs/dbraw/zinc/22/08/45/153220845.db2.gz COIPSNPHJIBDNI-ZDUSSCGKSA-N 1 1 336.396 1.232 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000364639543 153291044 /nfs/dbraw/zinc/29/10/44/153291044.db2.gz CGELELZJJKXYSG-MGPQQGTHSA-N 1 1 335.429 1.884 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(N2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000127055276 292285345 /nfs/dbraw/zinc/28/53/45/292285345.db2.gz NHLQORMTPISHJD-HNNXBMFYSA-N 1 1 333.436 1.905 20 5 EDBDMO Nc1c(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000372375930 156358905 /nfs/dbraw/zinc/35/89/05/156358905.db2.gz WYOOVXRLILJXOG-NWDGAFQWSA-N 1 1 334.376 1.160 20 5 EDBDMO Nc1c(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000372375930 156358910 /nfs/dbraw/zinc/35/89/10/156358910.db2.gz WYOOVXRLILJXOG-NWDGAFQWSA-N 1 1 334.376 1.160 20 5 EDBDMO O=C(CC[N@H+]1CCC[C@@H](c2nnc[nH]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000374545786 157323514 /nfs/dbraw/zinc/32/35/14/157323514.db2.gz NSRNIUXIQWMQEE-GFCCVEGCSA-N 1 1 344.375 1.921 20 5 EDBDMO CC[N@H+]1CCc2c(cccc2NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000378399568 158163425 /nfs/dbraw/zinc/16/34/25/158163425.db2.gz GEAMPEIOEFTUHO-UHFFFAOYSA-N 1 1 329.360 1.959 20 5 EDBDMO O=C(CC[NH+]1CCN([C@H]2CCOC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000378400833 158164368 /nfs/dbraw/zinc/16/43/68/158164368.db2.gz WNCUIAOCRHXNPZ-INIZCTEOSA-N 1 1 348.403 1.330 20 5 EDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000378538928 158203370 /nfs/dbraw/zinc/20/33/70/158203370.db2.gz HVPZGDCCBHQKPJ-OBJOEFQTSA-N 1 1 330.388 1.733 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000364952827 162345197 /nfs/dbraw/zinc/34/51/97/162345197.db2.gz JVINOHFWBDQJFO-CYBMUJFWSA-N 1 1 336.392 1.824 20 5 EDBDMO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122263925 222048705 /nfs/dbraw/zinc/04/87/05/222048705.db2.gz BTRFBNHGYQDVLI-KBPBESRZSA-N 1 1 347.419 1.877 20 5 EDBDMO C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122263925 222048706 /nfs/dbraw/zinc/04/87/06/222048706.db2.gz BTRFBNHGYQDVLI-KBPBESRZSA-N 1 1 347.419 1.877 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000130671243 533684789 /nfs/dbraw/zinc/68/47/89/533684789.db2.gz WFAWADWQLIBWNI-CYBMUJFWSA-N 1 1 341.433 1.746 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000269699805 273022527 /nfs/dbraw/zinc/02/25/27/273022527.db2.gz LPFLMSXRUAAYHF-CQSZACIVSA-N 1 1 338.360 1.173 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC3(C2)OCCO3)c1 ZINC000269699805 273022528 /nfs/dbraw/zinc/02/25/28/273022528.db2.gz LPFLMSXRUAAYHF-CQSZACIVSA-N 1 1 338.360 1.173 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000274057481 268103474 /nfs/dbraw/zinc/10/34/74/268103474.db2.gz ZOUAFOJSSWJHBK-DOMZBBRYSA-N 1 1 341.433 1.946 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000280082219 273343640 /nfs/dbraw/zinc/34/36/40/273343640.db2.gz NWFKEUVKXQJJKB-INIZCTEOSA-N 1 1 337.376 1.779 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000280082219 273343641 /nfs/dbraw/zinc/34/36/41/273343641.db2.gz NWFKEUVKXQJJKB-INIZCTEOSA-N 1 1 337.376 1.779 20 5 EDBDMO C[C@@]1(C(N)=O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000280413608 273359977 /nfs/dbraw/zinc/35/99/77/273359977.db2.gz YQZOQTILUPBGDU-CQSZACIVSA-N 1 1 329.303 1.894 20 5 EDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000280413608 273359978 /nfs/dbraw/zinc/35/99/78/273359978.db2.gz YQZOQTILUPBGDU-CQSZACIVSA-N 1 1 329.303 1.894 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1C ZINC000357324300 274272741 /nfs/dbraw/zinc/27/27/41/274272741.db2.gz POADWYSKVNKLEP-NWDGAFQWSA-N 1 1 331.376 1.429 20 5 EDBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000286016867 287916039 /nfs/dbraw/zinc/91/60/39/287916039.db2.gz ZHLLHVSNYKMWSU-XMAAMQLLSA-N 1 1 345.399 1.930 20 5 EDBDMO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286495371 288019732 /nfs/dbraw/zinc/01/97/32/288019732.db2.gz PHLRJJPUJYVGQN-ZDUSSCGKSA-N 1 1 348.403 1.914 20 5 EDBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286495371 288019734 /nfs/dbraw/zinc/01/97/34/288019734.db2.gz PHLRJJPUJYVGQN-ZDUSSCGKSA-N 1 1 348.403 1.914 20 5 EDBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286512399 288024061 /nfs/dbraw/zinc/02/40/61/288024061.db2.gz YZKMKJRUDDZCHE-MNOVXSKESA-N 1 1 349.416 1.899 20 5 EDBDMO C[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000493551108 278391366 /nfs/dbraw/zinc/39/13/66/278391366.db2.gz MVWIJLFZIBTPAK-PIZKADEWSA-N 1 1 347.415 1.912 20 5 EDBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000367747849 279118875 /nfs/dbraw/zinc/11/88/75/279118875.db2.gz WNEMWICZKOZIFF-IUODEOHRSA-N 1 1 332.404 1.862 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000360758584 279291170 /nfs/dbraw/zinc/29/11/70/279291170.db2.gz XSXQRXRBVKWMKS-UHFFFAOYSA-N 1 1 347.824 1.965 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000360758584 279291171 /nfs/dbraw/zinc/29/11/71/279291171.db2.gz XSXQRXRBVKWMKS-UHFFFAOYSA-N 1 1 347.824 1.965 20 5 EDBDMO Cn1cc[nH+]c1CC1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342243711 279373608 /nfs/dbraw/zinc/37/36/08/279373608.db2.gz ONAJKZLRSWGYDP-UHFFFAOYSA-N 1 1 343.387 1.886 20 5 EDBDMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000369408001 281186975 /nfs/dbraw/zinc/18/69/75/281186975.db2.gz JDMXAERAYBSJRJ-STQMWFEESA-N 1 1 335.408 1.726 20 5 EDBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000290659163 288932181 /nfs/dbraw/zinc/93/21/81/288932181.db2.gz 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000331586704 302049260 /nfs/dbraw/zinc/04/92/60/302049260.db2.gz XFRBLNQDWAQRCE-DGCLKSJQSA-N 1 1 339.417 1.664 20 5 EDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000294474222 303112451 /nfs/dbraw/zinc/11/24/51/303112451.db2.gz BBNZEUOAVPCFDW-ZWNOBZJWSA-N 1 1 341.795 1.775 20 5 EDBDMO Cn1cc(C[N@@H+]2CCOC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294808875 303147956 /nfs/dbraw/zinc/14/79/56/303147956.db2.gz NPGBHPXALCCCKJ-OAHLLOKOSA-N 1 1 332.360 1.188 20 5 EDBDMO Cn1cc(C[N@H+]2CCOC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294808875 303147958 /nfs/dbraw/zinc/14/79/58/303147958.db2.gz NPGBHPXALCCCKJ-OAHLLOKOSA-N 1 1 332.360 1.188 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+](C)CC(C)(C)CO)c([N+](=O)[O-])c1 ZINC000295240331 303193215 /nfs/dbraw/zinc/19/32/15/303193215.db2.gz PFHLLBBQYQMBDP-UHFFFAOYSA-N 1 1 325.365 1.492 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)CO)c([N+](=O)[O-])c1 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O=C(C1CC1)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000121243123 442195545 /nfs/dbraw/zinc/19/55/45/442195545.db2.gz NHPSYTZUGYZFJB-UHFFFAOYSA-N 1 1 333.388 1.918 20 5 EDBDMO CC1(C)C[N@H+](CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000170629440 442238472 /nfs/dbraw/zinc/23/84/72/442238472.db2.gz SJMCCESXNDYKII-BQYQJAHWSA-N 1 1 333.388 1.835 20 5 EDBDMO CC1(C)C[N@@H+](CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000170629440 442238474 /nfs/dbraw/zinc/23/84/74/442238474.db2.gz SJMCCESXNDYKII-BQYQJAHWSA-N 1 1 333.388 1.835 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000170648675 442241878 /nfs/dbraw/zinc/24/18/78/442241878.db2.gz GIPLNDWGJCUXLO-UHFFFAOYSA-N 1 1 329.360 1.586 20 5 EDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128817114 442289921 /nfs/dbraw/zinc/28/99/21/442289921.db2.gz XMSVASOXGMORRJ-JTQLQIEISA-N 1 1 340.355 1.376 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000177468053 442344987 /nfs/dbraw/zinc/34/49/87/442344987.db2.gz WJNDQISHLLBKDK-MEDUHNTESA-N 1 1 335.360 1.807 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000177468053 442344989 /nfs/dbraw/zinc/34/49/89/442344989.db2.gz WJNDQISHLLBKDK-MEDUHNTESA-N 1 1 335.360 1.807 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000177163836 442308330 /nfs/dbraw/zinc/30/83/30/442308330.db2.gz BHVBONPNKVUQSV-NXEZZACHSA-N 1 1 329.360 1.826 20 5 EDBDMO COCC[N@H+](C)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000155537603 442406190 /nfs/dbraw/zinc/40/61/90/442406190.db2.gz DWKKUCPIYHXWME-UHFFFAOYSA-N 1 1 345.421 1.068 20 5 EDBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000155537603 442406192 /nfs/dbraw/zinc/40/61/92/442406192.db2.gz DWKKUCPIYHXWME-UHFFFAOYSA-N 1 1 345.421 1.068 20 5 EDBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000172126045 442411620 /nfs/dbraw/zinc/41/16/20/442411620.db2.gz FEQGREMBNJEYHU-GJZGRUSLSA-N 1 1 349.435 1.904 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172421524 442457986 /nfs/dbraw/zinc/45/79/86/442457986.db2.gz OCCFKXOCZHSZBY-UHFFFAOYSA-N 1 1 349.435 1.967 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000178773451 442480305 /nfs/dbraw/zinc/48/03/05/442480305.db2.gz VIJRJDZMWOOXFD-GFCCVEGCSA-N 1 1 337.376 1.900 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000191953596 442546121 /nfs/dbraw/zinc/54/61/21/442546121.db2.gz LWTYTJXUJHJGFE-ZDUSSCGKSA-N 1 1 341.433 1.832 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000191863389 442526652 /nfs/dbraw/zinc/52/66/52/442526652.db2.gz POQKEMWCZBGMNV-OCCSQVGLSA-N 1 1 347.419 1.900 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186705170 442596256 /nfs/dbraw/zinc/59/62/56/442596256.db2.gz KWOOTCAMRTXLCC-DOTOQJQBSA-N 1 1 344.371 1.284 20 5 EDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)Cc1ccccc1 ZINC000180544839 442619690 /nfs/dbraw/zinc/61/96/90/442619690.db2.gz MDVHZDIXGVXQCL-UHFFFAOYSA-N 1 1 329.360 1.434 20 5 EDBDMO CC[N@H+](Cc1cnn(C)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182229176 442747734 /nfs/dbraw/zinc/74/77/34/442747734.db2.gz YWBVLJUMOUVDTO-CQSZACIVSA-N 1 1 334.376 1.590 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000193880627 442804435 /nfs/dbraw/zinc/80/44/35/442804435.db2.gz BJZHEJYFLKZQQR-LLVKDONJSA-N 1 1 345.396 1.887 20 5 EDBDMO CCOC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246377794 442777189 /nfs/dbraw/zinc/77/71/89/442777189.db2.gz ZCQLAKISTVSTQG-DZGCQCFKSA-N 1 1 337.376 1.839 20 5 EDBDMO CCOC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246377794 442777191 /nfs/dbraw/zinc/77/71/91/442777191.db2.gz ZCQLAKISTVSTQG-DZGCQCFKSA-N 1 1 337.376 1.839 20 5 EDBDMO Cc1c(CC(=O)NCCCN2CCC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000610970361 450396189 /nfs/dbraw/zinc/39/61/89/450396189.db2.gz UEUGGDKJIIKSFU-UHFFFAOYSA-N 1 1 348.447 1.590 20 5 EDBDMO Cc1c(CC(=O)NCCC[N@H+]2CCCN(C)CC2)cccc1[N+](=O)[O-] ZINC000610970361 450396192 /nfs/dbraw/zinc/39/61/92/450396192.db2.gz UEUGGDKJIIKSFU-UHFFFAOYSA-N 1 1 348.447 1.590 20 5 EDBDMO Cc1c(CC(=O)NCCC[N@@H+]2CCCN(C)CC2)cccc1[N+](=O)[O-] ZINC000610970361 450396195 /nfs/dbraw/zinc/39/61/95/450396195.db2.gz UEUGGDKJIIKSFU-UHFFFAOYSA-N 1 1 348.447 1.590 20 5 EDBDMO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000194711896 442941202 /nfs/dbraw/zinc/94/12/02/442941202.db2.gz GSDYXPDIEGXUDG-CQSZACIVSA-N 1 1 344.375 1.308 20 5 EDBDMO COCC[NH+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184240118 443005093 /nfs/dbraw/zinc/00/50/93/443005093.db2.gz AMMJNKYTQIDHTG-UHFFFAOYSA-N 1 1 327.356 1.507 20 5 EDBDMO CC[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000255118975 443086087 /nfs/dbraw/zinc/08/60/87/443086087.db2.gz XPMLCSDWZFRQFH-LOWICHSDSA-N 1 1 347.415 1.912 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266655352 443199465 /nfs/dbraw/zinc/19/94/65/443199465.db2.gz IFIBFNAFWWGFIR-UHFFFAOYSA-N 1 1 338.408 1.405 20 5 EDBDMO C[C@@H](O)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)CO ZINC000190894366 443206032 /nfs/dbraw/zinc/20/60/32/443206032.db2.gz IHYNSIHHHLKFTK-WDEREUQCSA-N 1 1 336.348 1.208 20 5 EDBDMO C[C@@H](O)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)CO ZINC000190894366 443206036 /nfs/dbraw/zinc/20/60/36/443206036.db2.gz IHYNSIHHHLKFTK-WDEREUQCSA-N 1 1 336.348 1.208 20 5 EDBDMO C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000269159800 443217369 /nfs/dbraw/zinc/21/73/69/443217369.db2.gz UBVCIUKDOFFWKZ-ZDUSSCGKSA-N 1 1 331.376 1.428 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000411868302 319209659 /nfs/dbraw/zinc/20/96/59/319209659.db2.gz YPVKWUKQMXMXAB-NVXWUHKLSA-N 1 1 336.388 1.835 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000411868302 319209663 /nfs/dbraw/zinc/20/96/63/319209663.db2.gz YPVKWUKQMXMXAB-NVXWUHKLSA-N 1 1 336.388 1.835 20 5 EDBDMO CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000412829826 319243675 /nfs/dbraw/zinc/24/36/75/319243675.db2.gz AIIJFFQAOREGEQ-JTQLQIEISA-N 1 1 330.344 1.673 20 5 EDBDMO CN1CC[NH+](C[C@H](O)COc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000414125064 319317740 /nfs/dbraw/zinc/31/77/40/319317740.db2.gz LRDMBLOUSJBUDY-ZDUSSCGKSA-N 1 1 346.387 1.130 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000269315182 443279068 /nfs/dbraw/zinc/27/90/68/443279068.db2.gz ZDIYRHRCTJKYJT-UHFFFAOYSA-N 1 1 341.433 1.495 20 5 EDBDMO CN(CCC[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000264606714 443344361 /nfs/dbraw/zinc/34/43/61/443344361.db2.gz DJHNDPDKYPVUDZ-UHFFFAOYSA-N 1 1 337.380 1.577 20 5 EDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000264601245 443342401 /nfs/dbraw/zinc/34/24/01/443342401.db2.gz CPPRLFRTNIYMFG-ZDUSSCGKSA-N 1 1 332.404 1.997 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272592437 443376321 /nfs/dbraw/zinc/37/63/21/443376321.db2.gz NYIXZIASTXBREJ-ZBFHGGJFSA-N 1 1 332.404 1.873 20 5 EDBDMO O=C(COc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCSCC1 ZINC000264793655 443427760 /nfs/dbraw/zinc/42/77/60/443427760.db2.gz LIPWFYBMRSHWPC-UHFFFAOYSA-N 1 1 325.390 1.139 20 5 EDBDMO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272669989 443403500 /nfs/dbraw/zinc/40/35/00/443403500.db2.gz KJWDPNXTUSKLBO-UHFFFAOYSA-N 1 1 339.392 1.731 20 5 EDBDMO C[C@H]1COc2ccccc2C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272908604 443486597 /nfs/dbraw/zinc/48/65/97/443486597.db2.gz HCUCMBUHYHGVGY-SWLSCSKDSA-N 1 1 332.360 1.435 20 5 EDBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CCCO1 ZINC000278800386 443444775 /nfs/dbraw/zinc/44/47/75/443444775.db2.gz ZCODZKKFTQARKC-LBPRGKRZSA-N 1 1 336.392 1.408 20 5 EDBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000278857020 443463845 /nfs/dbraw/zinc/46/38/45/443463845.db2.gz XWLLFLPVESSEFY-PHIMTYICSA-N 1 1 337.351 1.908 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000265097629 443531382 /nfs/dbraw/zinc/53/13/82/443531382.db2.gz FUYHZLJKXVIHJU-UHFFFAOYSA-N 1 1 333.348 1.333 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC2(C1)CCOCC2 ZINC000273409103 443571258 /nfs/dbraw/zinc/57/12/58/443571258.db2.gz XIEYNSUMVZAROJ-CQSZACIVSA-N 1 1 336.388 1.837 20 5 EDBDMO C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272263935 443573246 /nfs/dbraw/zinc/57/32/46/443573246.db2.gz KNBXBURNQHRZOO-JSGCOSHPSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272263935 443573249 /nfs/dbraw/zinc/57/32/49/443573249.db2.gz KNBXBURNQHRZOO-JSGCOSHPSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272263935 443573252 /nfs/dbraw/zinc/57/32/52/443573252.db2.gz KNBXBURNQHRZOO-JSGCOSHPSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000273449451 443573686 /nfs/dbraw/zinc/57/36/86/443573686.db2.gz OMWUWBFIEHZAJM-QWHCGFSZSA-N 1 1 341.433 1.441 20 5 EDBDMO C[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000273449451 443573688 /nfs/dbraw/zinc/57/36/88/443573688.db2.gz OMWUWBFIEHZAJM-QWHCGFSZSA-N 1 1 341.433 1.441 20 5 EDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272203460 443555690 /nfs/dbraw/zinc/55/56/90/443555690.db2.gz OWTLXILIFUZUGA-NWDGAFQWSA-N 1 1 333.344 1.680 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000279902556 443638107 /nfs/dbraw/zinc/63/81/07/443638107.db2.gz LHYLTAGKGFWLHJ-UHFFFAOYSA-N 1 1 334.376 1.665 20 5 EDBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000286065279 443638398 /nfs/dbraw/zinc/63/83/98/443638398.db2.gz RRRIDSLOPMFUDT-CABCVRRESA-N 1 1 335.404 1.769 20 5 EDBDMO CC[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000439166326 320040741 /nfs/dbraw/zinc/04/07/41/320040741.db2.gz XINULVRBUANXED-LBPRGKRZSA-N 1 1 336.392 1.241 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000276228965 443671722 /nfs/dbraw/zinc/67/17/22/443671722.db2.gz JWLWIBLMNRVEFS-NSHDSACASA-N 1 1 348.334 1.688 20 5 EDBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000456188028 320307024 /nfs/dbraw/zinc/30/70/24/320307024.db2.gz MPKWSAYQKHMRCN-ZDUSSCGKSA-N 1 1 349.435 1.990 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000283743276 443704446 /nfs/dbraw/zinc/70/44/46/443704446.db2.gz JLOFLPNEMDYFMZ-GFCCVEGCSA-N 1 1 336.392 1.863 20 5 EDBDMO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000276482503 443721525 /nfs/dbraw/zinc/72/15/25/443721525.db2.gz OOUMZALWBIQAFS-ZDUSSCGKSA-N 1 1 344.327 1.575 20 5 EDBDMO CC[C@H](CO)[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298425866 443767183 /nfs/dbraw/zinc/76/71/83/443767183.db2.gz PWXDREFIVJNKPE-LLVKDONJSA-N 1 1 325.365 1.635 20 5 EDBDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285165534 443880345 /nfs/dbraw/zinc/88/03/45/443880345.db2.gz AUGLCDAEYDZPOJ-LBPRGKRZSA-N 1 1 336.392 1.692 20 5 EDBDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285165534 443880351 /nfs/dbraw/zinc/88/03/51/443880351.db2.gz AUGLCDAEYDZPOJ-LBPRGKRZSA-N 1 1 336.392 1.692 20 5 EDBDMO Nc1nc(N2CC[NH+](CCOc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000298727709 443851372 /nfs/dbraw/zinc/85/13/72/443851372.db2.gz MXXDPQGSUUYHSE-UHFFFAOYSA-N 1 1 344.375 1.168 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000293361238 443994959 /nfs/dbraw/zinc/99/49/59/443994959.db2.gz KMMKAZSWSIDFEV-UHFFFAOYSA-N 1 1 342.827 1.862 20 5 EDBDMO CN(CCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])CC[NH+](C)C ZINC000293361238 443994963 /nfs/dbraw/zinc/99/49/63/443994963.db2.gz KMMKAZSWSIDFEV-UHFFFAOYSA-N 1 1 342.827 1.862 20 5 EDBDMO Cc1nocc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000293218950 443955102 /nfs/dbraw/zinc/95/51/02/443955102.db2.gz JTTQBMXBWVLNGL-UHFFFAOYSA-N 1 1 325.346 1.455 20 5 EDBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[N@H+]2CCC[C@H]2C1 ZINC000299399531 444037637 /nfs/dbraw/zinc/03/76/37/444037637.db2.gz JWNWGWQIBKFJNI-NSHDSACASA-N 1 1 333.344 1.286 20 5 EDBDMO Cc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000299458554 444051460 /nfs/dbraw/zinc/05/14/60/444051460.db2.gz XMYGZHMABOPTJC-SECBINFHSA-N 1 1 349.416 1.864 20 5 EDBDMO Cc1n[nH]c(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000299458554 444051465 /nfs/dbraw/zinc/05/14/65/444051465.db2.gz XMYGZHMABOPTJC-SECBINFHSA-N 1 1 349.416 1.864 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1C ZINC000293431455 444015879 /nfs/dbraw/zinc/01/58/79/444015879.db2.gz NXJCVRFDNDBICE-KGLIPLIRSA-N 1 1 332.404 1.584 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000285680813 444070753 /nfs/dbraw/zinc/07/07/53/444070753.db2.gz HRXYDBCXIMECSV-KBPBESRZSA-N 1 1 339.779 1.793 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000558350402 321011533 /nfs/dbraw/zinc/01/15/33/321011533.db2.gz CTEUPOOKNLXOCM-ZDUSSCGKSA-N 1 1 349.387 1.233 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000558350402 321011535 /nfs/dbraw/zinc/01/15/35/321011535.db2.gz CTEUPOOKNLXOCM-ZDUSSCGKSA-N 1 1 349.387 1.233 20 5 EDBDMO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000562432769 321058031 /nfs/dbraw/zinc/05/80/31/321058031.db2.gz UYHWVBPSAHBDOP-NSHDSACASA-N 1 1 328.394 1.141 20 5 EDBDMO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000562432769 321058033 /nfs/dbraw/zinc/05/80/33/321058033.db2.gz UYHWVBPSAHBDOP-NSHDSACASA-N 1 1 328.394 1.141 20 5 EDBDMO Cc1sc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000285729969 444088715 /nfs/dbraw/zinc/08/87/15/444088715.db2.gz KICOJRLHXXMULB-NEPJUHHUSA-N 1 1 325.390 1.510 20 5 EDBDMO Cc1sc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000285729969 444088720 /nfs/dbraw/zinc/08/87/20/444088720.db2.gz KICOJRLHXXMULB-NEPJUHHUSA-N 1 1 325.390 1.510 20 5 EDBDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000278316160 444137689 /nfs/dbraw/zinc/13/76/89/444137689.db2.gz NEWPXYISGBBHOX-HOCLYGCPSA-N 1 1 338.404 1.749 20 5 EDBDMO C[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000572692893 321434490 /nfs/dbraw/zinc/43/44/90/321434490.db2.gz ILABPZLZQSRJBW-KBPBESRZSA-N 1 1 335.404 1.783 20 5 EDBDMO COC(=O)c1cc(NC[C@H](C)[N@@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301253453 444158634 /nfs/dbraw/zinc/15/86/34/444158634.db2.gz SILZDJDGIURCPS-RYUDHWBXSA-N 1 1 337.376 1.903 20 5 EDBDMO COC(=O)c1cc(NC[C@H](C)[N@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301253453 444158635 /nfs/dbraw/zinc/15/86/35/444158635.db2.gz SILZDJDGIURCPS-RYUDHWBXSA-N 1 1 337.376 1.903 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000301452929 444172418 /nfs/dbraw/zinc/17/24/18/444172418.db2.gz XZDSBZFFJKQGSN-QWHCGFSZSA-N 1 1 345.403 1.769 20 5 EDBDMO Cc1ccc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000301800421 444191018 /nfs/dbraw/zinc/19/10/18/444191018.db2.gz BWDOSMVVODGIDF-OAHLLOKOSA-N 1 1 332.404 1.822 20 5 EDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000301952677 444198196 /nfs/dbraw/zinc/19/81/96/444198196.db2.gz JMTOOEXQCXMISQ-CQSZACIVSA-N 1 1 333.392 1.217 20 5 EDBDMO CNS(=O)(=O)c1ccc(N[C@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000290798994 444324169 /nfs/dbraw/zinc/32/41/69/444324169.db2.gz YHZMYWJXVOAERD-LLVKDONJSA-N 1 1 344.437 1.644 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000616411618 450413233 /nfs/dbraw/zinc/41/32/33/450413233.db2.gz DMIDPHOBTBZGMF-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000616411618 450413237 /nfs/dbraw/zinc/41/32/37/450413237.db2.gz DMIDPHOBTBZGMF-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO CS(=O)(=O)c1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000320058825 444327743 /nfs/dbraw/zinc/32/77/43/444327743.db2.gz UILYXKBAJSCSIM-NSHDSACASA-N 1 1 339.417 1.895 20 5 EDBDMO COC(=O)COc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000580444984 322052694 /nfs/dbraw/zinc/05/26/94/322052694.db2.gz DIRJLBDWRMTGOF-MNOVXSKESA-N 1 1 325.365 1.362 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000340854644 444544760 /nfs/dbraw/zinc/54/47/60/444544760.db2.gz UKBCICAGFQZGJK-UHFFFAOYSA-N 1 1 346.391 1.694 20 5 EDBDMO C[C@H]1[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343998208 444718224 /nfs/dbraw/zinc/71/82/24/444718224.db2.gz VBDXJWJMFVWXHF-SMDDNHRTSA-N 1 1 327.406 1.497 20 5 EDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000338425212 444687465 /nfs/dbraw/zinc/68/74/65/444687465.db2.gz YZOAPAOPPXLPFW-UHFFFAOYSA-N 1 1 343.405 1.068 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000342781687 444864789 /nfs/dbraw/zinc/86/47/89/444864789.db2.gz QLMKQDIKTYPQIG-JTQLQIEISA-N 1 1 331.332 1.504 20 5 EDBDMO C[C@H]1[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000344298739 444886846 /nfs/dbraw/zinc/88/68/46/444886846.db2.gz RVPABEMFELJRKW-SWLSCSKDSA-N 1 1 335.408 1.789 20 5 EDBDMO COCC[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1C ZINC000342922832 444943329 /nfs/dbraw/zinc/94/33/29/444943329.db2.gz YMSZCBGWUANBKS-LBPRGKRZSA-N 1 1 346.387 1.869 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1C ZINC000342922832 444943333 /nfs/dbraw/zinc/94/33/33/444943333.db2.gz YMSZCBGWUANBKS-LBPRGKRZSA-N 1 1 346.387 1.869 20 5 EDBDMO CCC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337323205 445033061 /nfs/dbraw/zinc/03/30/61/445033061.db2.gz RZHJYQQDFXEIDS-CQSZACIVSA-N 1 1 334.376 1.524 20 5 EDBDMO CCC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337323205 445033065 /nfs/dbraw/zinc/03/30/65/445033065.db2.gz RZHJYQQDFXEIDS-CQSZACIVSA-N 1 1 334.376 1.524 20 5 EDBDMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339043406 445005070 /nfs/dbraw/zinc/00/50/70/445005070.db2.gz FWOHADSENHWQSW-XOKHGSTOSA-N 1 1 335.404 1.984 20 5 EDBDMO CC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000339186109 445078755 /nfs/dbraw/zinc/07/87/55/445078755.db2.gz OPYJJOIOSANKLV-CQSZACIVSA-N 1 1 348.403 1.832 20 5 EDBDMO CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000343559420 445243892 /nfs/dbraw/zinc/24/38/92/445243892.db2.gz UNAZQXIOJFVEAD-HUUCEWRRSA-N 1 1 335.404 1.503 20 5 EDBDMO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000343559420 445243894 /nfs/dbraw/zinc/24/38/94/445243894.db2.gz UNAZQXIOJFVEAD-HUUCEWRRSA-N 1 1 335.404 1.503 20 5 EDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000343559420 445243896 /nfs/dbraw/zinc/24/38/96/445243896.db2.gz UNAZQXIOJFVEAD-HUUCEWRRSA-N 1 1 335.404 1.503 20 5 EDBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000348640611 445342494 /nfs/dbraw/zinc/34/24/94/445342494.db2.gz HQRUAGYGYHHQAL-UEICXMAYSA-N 1 1 344.371 1.624 20 5 EDBDMO CO[C@@H]1C[C@H](CN(C)C(=O)CNc2ccccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000348707102 445350248 /nfs/dbraw/zinc/35/02/48/445350248.db2.gz WRDTVRSAAJGMPV-CHWSQXEVSA-N 1 1 336.392 1.184 20 5 EDBDMO Cc1cccc(NCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[nH+]1 ZINC000359752907 445408930 /nfs/dbraw/zinc/40/89/30/445408930.db2.gz HMHQMAZYESLKBG-UHFFFAOYSA-N 1 1 332.364 1.458 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000362882330 445595170 /nfs/dbraw/zinc/59/51/70/445595170.db2.gz BUJSGXVFAUUOFO-OAHLLOKOSA-N 1 1 341.433 1.864 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000362882330 445595172 /nfs/dbraw/zinc/59/51/72/445595172.db2.gz BUJSGXVFAUUOFO-OAHLLOKOSA-N 1 1 341.433 1.864 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000360332442 445697836 /nfs/dbraw/zinc/69/78/36/445697836.db2.gz DVMOCMIUZKKSAV-LRDDRELGSA-N 1 1 347.371 1.869 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000360332442 445697840 /nfs/dbraw/zinc/69/78/40/445697840.db2.gz DVMOCMIUZKKSAV-LRDDRELGSA-N 1 1 347.371 1.869 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358700965 445726784 /nfs/dbraw/zinc/72/67/84/445726784.db2.gz ZSYWJQPNJAJRNX-UHFFFAOYSA-N 1 1 338.408 1.671 20 5 EDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000354017384 445857077 /nfs/dbraw/zinc/85/70/77/445857077.db2.gz AHAVMAMYFQESLV-LLVKDONJSA-N 1 1 335.360 1.532 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000354202977 445995599 /nfs/dbraw/zinc/99/55/99/445995599.db2.gz JPYHSWQOMNOCHC-SMDDNHRTSA-N 1 1 348.403 1.695 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000354225452 446021519 /nfs/dbraw/zinc/02/15/19/446021519.db2.gz XDXJVICREKOQDA-LBPRGKRZSA-N 1 1 346.387 1.449 20 5 EDBDMO CC[N@@H+]1CCO[C@@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000351615106 446209281 /nfs/dbraw/zinc/20/92/81/446209281.db2.gz LEYIGJGTXMTZQX-CQSZACIVSA-N 1 1 341.795 1.628 20 5 EDBDMO CC[N@H+]1CCO[C@@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000351615106 446209286 /nfs/dbraw/zinc/20/92/86/446209286.db2.gz LEYIGJGTXMTZQX-CQSZACIVSA-N 1 1 341.795 1.628 20 5 EDBDMO Nc1ccc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000365552043 446250812 /nfs/dbraw/zinc/25/08/12/446250812.db2.gz MYANNYRXQJCECK-KCQAQPDRSA-N 1 1 330.388 1.733 20 5 EDBDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366678421 446306649 /nfs/dbraw/zinc/30/66/49/446306649.db2.gz TUIHGWPEXIDYCW-AWVCJSPBSA-N 1 1 336.388 1.712 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@](O)(C4CC4)C3)n2)cc1 ZINC000365851279 446370654 /nfs/dbraw/zinc/37/06/54/446370654.db2.gz VCQMGCJFCIWRIV-MRXNPFEDSA-N 1 1 330.344 1.992 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)c1ccco1 ZINC000374549946 446374792 /nfs/dbraw/zinc/37/47/92/446374792.db2.gz HDBUFTPWVJTPBW-ZDUSSCGKSA-N 1 1 347.375 1.526 20 5 EDBDMO O=C(CCN1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420382507 446558586 /nfs/dbraw/zinc/55/85/86/446558586.db2.gz SFSIZDTXPVQUMF-KRWDZBQOSA-N 1 1 332.404 1.999 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21 ZINC000375024813 446523335 /nfs/dbraw/zinc/52/33/35/446523335.db2.gz YADZMHCIEAMINZ-WBMJQRKESA-N 1 1 333.388 1.987 20 5 EDBDMO Nc1nccc([C@H]2CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000367214124 446523962 /nfs/dbraw/zinc/52/39/62/446523962.db2.gz QWZOGAZMUIYSFM-XJKSGUPXSA-N 1 1 343.387 1.880 20 5 EDBDMO CC1=C(c2ccco2)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000367225348 446525297 /nfs/dbraw/zinc/52/52/97/446525297.db2.gz QXTHOCWNSOXAKH-AWEZNQCLSA-N 1 1 332.360 1.925 20 5 EDBDMO CC[C@@H]([NH3+])CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420469558 446645426 /nfs/dbraw/zinc/64/54/26/446645426.db2.gz PSHCJNAZLIDZAU-SSDOTTSWSA-N 1 1 342.204 1.917 20 5 EDBDMO Cc1cc[nH+]c(N2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)c1 ZINC000420604343 446698825 /nfs/dbraw/zinc/69/88/25/446698825.db2.gz RXXVCDDYZAVLFO-UHFFFAOYSA-N 1 1 341.371 1.724 20 5 EDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252214 450434802 /nfs/dbraw/zinc/43/48/02/450434802.db2.gz HMPVUFDQQSKZKN-HUUCEWRRSA-N 1 1 337.351 1.618 20 5 EDBDMO COCC(COC)[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000411857743 446700949 /nfs/dbraw/zinc/70/09/49/446700949.db2.gz IFEZMWAHHOBGOQ-UHFFFAOYSA-N 1 1 329.422 1.435 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+]1C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000420644382 446717828 /nfs/dbraw/zinc/71/78/28/446717828.db2.gz YIELXVZZOURXNY-NSHDSACASA-N 1 1 327.406 1.529 20 5 EDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000420644382 446717836 /nfs/dbraw/zinc/71/78/36/446717836.db2.gz YIELXVZZOURXNY-NSHDSACASA-N 1 1 327.406 1.529 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619253101 450435263 /nfs/dbraw/zinc/43/52/63/450435263.db2.gz SBLNELKGRFGHCY-KBPBESRZSA-N 1 1 325.315 1.992 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411941070 446751160 /nfs/dbraw/zinc/75/11/60/446751160.db2.gz KZARELUGDPOTNM-NEPJUHHUSA-N 1 1 334.376 1.332 20 5 EDBDMO O=C1C[C@@]2(CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)Oc2ccccc21 ZINC000411975297 446769595 /nfs/dbraw/zinc/76/95/95/446769595.db2.gz BIKWNWLNFKOVOX-QGZVFWFLSA-N 1 1 342.355 1.901 20 5 EDBDMO O=C1C[C@@]2(CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)Oc2ccccc21 ZINC000411975297 446769604 /nfs/dbraw/zinc/76/96/04/446769604.db2.gz BIKWNWLNFKOVOX-QGZVFWFLSA-N 1 1 342.355 1.901 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000454154433 446792451 /nfs/dbraw/zinc/79/24/51/446792451.db2.gz VSDUXYZHTXIQGI-CQSZACIVSA-N 1 1 336.392 1.872 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423958844 446797818 /nfs/dbraw/zinc/79/78/18/446797818.db2.gz CAKHCIPXVFKGLB-MRXNPFEDSA-N 1 1 342.355 1.542 20 5 EDBDMO COC(=O)[C@@H]1CSCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000412084563 446844796 /nfs/dbraw/zinc/84/47/96/446844796.db2.gz TXZQGBLSFTTWAL-LBPRGKRZSA-N 1 1 340.401 1.812 20 5 EDBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000420938447 446911542 /nfs/dbraw/zinc/91/15/42/446911542.db2.gz MNAHXUNKINFIMU-AWEZNQCLSA-N 1 1 337.376 1.395 20 5 EDBDMO CN(C(=O)[C@@H]1CC12CC[NH+](Cc1c([N+](=O)[O-])ncn1C)CC2)C1CC1 ZINC000371551984 446928202 /nfs/dbraw/zinc/92/82/02/446928202.db2.gz HDWHPWFKVFGAIM-ZDUSSCGKSA-N 1 1 347.419 1.551 20 5 EDBDMO COCC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979038 446951874 /nfs/dbraw/zinc/95/18/74/446951874.db2.gz YFOXGJPIBZAVSS-GFCCVEGCSA-N 1 1 345.421 1.230 20 5 EDBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444667428 447116960 /nfs/dbraw/zinc/11/69/60/447116960.db2.gz URAAJPZWZYIQAE-LBPRGKRZSA-N 1 1 331.376 1.771 20 5 EDBDMO Nc1nc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000377456521 447141767 /nfs/dbraw/zinc/14/17/67/447141767.db2.gz XRMQPXMGHPHCHH-CQSZACIVSA-N 1 1 342.403 1.713 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000377481192 447153485 /nfs/dbraw/zinc/15/34/85/447153485.db2.gz HJXULWSRHOUQAI-NWDGAFQWSA-N 1 1 339.779 1.841 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425497855 447193878 /nfs/dbraw/zinc/19/38/78/447193878.db2.gz DTQOEXARMGWYAG-DOMZBBRYSA-N 1 1 344.375 1.850 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425497855 447193882 /nfs/dbraw/zinc/19/38/82/447193882.db2.gz DTQOEXARMGWYAG-DOMZBBRYSA-N 1 1 344.375 1.850 20 5 EDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000372727888 447249912 /nfs/dbraw/zinc/24/99/12/447249912.db2.gz QTDWXBAHPWNBTR-LLVKDONJSA-N 1 1 325.340 1.263 20 5 EDBDMO CNc1nc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000455904646 447253953 /nfs/dbraw/zinc/25/39/53/447253953.db2.gz DAQQFXHGFAWRIR-LBPRGKRZSA-N 1 1 335.408 1.739 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421704736 447224692 /nfs/dbraw/zinc/22/46/92/447224692.db2.gz PPLBXPDLYZBHOR-OAHLLOKOSA-N 1 1 348.403 1.267 20 5 EDBDMO CNc1nc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000455865042 447244457 /nfs/dbraw/zinc/24/44/57/447244457.db2.gz RZYMDUUGVQPIBQ-ZDUSSCGKSA-N 1 1 347.419 1.835 20 5 EDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000372720320 447245578 /nfs/dbraw/zinc/24/55/78/447245578.db2.gz AVLJOHDAOQWNDO-CVEARBPZSA-N 1 1 348.403 1.550 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000377679032 447290085 /nfs/dbraw/zinc/29/00/85/447290085.db2.gz YOEVWXALWXDSQE-AWEZNQCLSA-N 1 1 327.388 1.965 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000377679032 447290089 /nfs/dbraw/zinc/29/00/89/447290089.db2.gz YOEVWXALWXDSQE-AWEZNQCLSA-N 1 1 327.388 1.965 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000421895506 447270059 /nfs/dbraw/zinc/27/00/59/447270059.db2.gz RRZFMKRRHXZJDN-AWEZNQCLSA-N 1 1 335.404 1.788 20 5 EDBDMO Cc1c(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000422384360 447517142 /nfs/dbraw/zinc/51/71/42/447517142.db2.gz WUQNCRQWVNDWAK-CQSZACIVSA-N 1 1 348.403 1.072 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416719921 447678526 /nfs/dbraw/zinc/67/85/26/447678526.db2.gz DPFUOEFTDUUUSC-OLZOCXBDSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416719921 447678529 /nfs/dbraw/zinc/67/85/29/447678529.db2.gz DPFUOEFTDUUUSC-OLZOCXBDSA-N 1 1 336.392 1.822 20 5 EDBDMO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000451260460 447717076 /nfs/dbraw/zinc/71/70/76/447717076.db2.gz UODDBISGWCGHMK-BXUZGUMPSA-N 1 1 337.376 1.635 20 5 EDBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000451260460 447717083 /nfs/dbraw/zinc/71/70/83/447717083.db2.gz UODDBISGWCGHMK-BXUZGUMPSA-N 1 1 337.376 1.635 20 5 EDBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452107418 447815547 /nfs/dbraw/zinc/81/55/47/447815547.db2.gz AXPFJPFXNJMZFB-VNHYZAJKSA-N 1 1 336.388 1.691 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000451900008 447777192 /nfs/dbraw/zinc/77/71/92/447777192.db2.gz JOOCYQNFHPPSFH-NVXWUHKLSA-N 1 1 336.388 1.837 20 5 EDBDMO COC[C@@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000451928857 447787035 /nfs/dbraw/zinc/78/70/35/447787035.db2.gz OXXAHIPGKFQFSR-LRDDRELGSA-N 1 1 337.376 1.253 20 5 EDBDMO COC[C@@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000451928857 447787038 /nfs/dbraw/zinc/78/70/38/447787038.db2.gz OXXAHIPGKFQFSR-LRDDRELGSA-N 1 1 337.376 1.253 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000550119725 447886613 /nfs/dbraw/zinc/88/66/13/447886613.db2.gz HNXQOOIQHHNQGR-UHFFFAOYSA-N 1 1 335.408 1.434 20 5 EDBDMO CC(C)[N@H+](C)C[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569838832 447903112 /nfs/dbraw/zinc/90/31/12/447903112.db2.gz RTJOBXFYPWDHIJ-ZIAGYGMSSA-N 1 1 325.409 1.653 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569838832 447903117 /nfs/dbraw/zinc/90/31/17/447903117.db2.gz RTJOBXFYPWDHIJ-ZIAGYGMSSA-N 1 1 325.409 1.653 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000524721291 447944715 /nfs/dbraw/zinc/94/47/15/447944715.db2.gz KRVLMADPVUPGMN-CYBMUJFWSA-N 1 1 343.387 1.852 20 5 EDBDMO CNc1nccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000575933700 447932804 /nfs/dbraw/zinc/93/28/04/447932804.db2.gz SODAPIPMONDXMY-WCQYABFASA-N 1 1 333.392 1.588 20 5 EDBDMO CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H]1CCC[N@@H+](C)C1 ZINC000525008947 447965622 /nfs/dbraw/zinc/96/56/22/447965622.db2.gz QRDFQLOFMABBLC-NSHDSACASA-N 1 1 335.360 1.532 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000525804977 448027609 /nfs/dbraw/zinc/02/76/09/448027609.db2.gz ZOTLTYMUXFVELP-CYBMUJFWSA-N 1 1 348.403 1.173 20 5 EDBDMO C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000491519575 448051408 /nfs/dbraw/zinc/05/14/08/448051408.db2.gz JOQQZISFHHXNLL-AGKLADILSA-N 1 1 333.388 1.833 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000556435652 448119030 /nfs/dbraw/zinc/11/90/30/448119030.db2.gz PTTWRWQKCPUCSH-UHFFFAOYSA-N 1 1 348.428 1.636 20 5 EDBDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000576728633 448128011 /nfs/dbraw/zinc/12/80/11/448128011.db2.gz PVWAPLWPVLRKSY-RISCZKNCSA-N 1 1 329.360 1.711 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493282247 448382800 /nfs/dbraw/zinc/38/28/00/448382800.db2.gz BHCNSCJEWURKEY-FLIBITNWSA-N 1 1 348.447 1.950 20 5 EDBDMO CN(CCCN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000493282247 448382807 /nfs/dbraw/zinc/38/28/07/448382807.db2.gz BHCNSCJEWURKEY-FLIBITNWSA-N 1 1 348.447 1.950 20 5 EDBDMO C[C@H]1CC[N@@H+](CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000535042186 448478408 /nfs/dbraw/zinc/47/84/08/448478408.db2.gz UZISRVXSRISMGR-ZDUSSCGKSA-N 1 1 341.433 1.399 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000591769510 448486992 /nfs/dbraw/zinc/48/69/92/448486992.db2.gz HHNLDQQOSMBDMM-NSHDSACASA-N 1 1 333.348 1.120 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000540909363 448653507 /nfs/dbraw/zinc/65/35/07/448653507.db2.gz NWRIGLLJKDHIER-LLVKDONJSA-N 1 1 335.360 1.784 20 5 EDBDMO CNc1nccc(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000518215492 448655741 /nfs/dbraw/zinc/65/57/41/448655741.db2.gz SSIRIKNRKXDFEK-UHFFFAOYSA-N 1 1 347.419 1.980 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000579317880 448763392 /nfs/dbraw/zinc/76/33/92/448763392.db2.gz WMADYDPGGKWQII-WBMJQRKESA-N 1 1 341.371 1.557 20 5 EDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000592342633 448799847 /nfs/dbraw/zinc/79/98/47/448799847.db2.gz XBDIHFZYYLNKCS-INIZCTEOSA-N 1 1 348.334 1.622 20 5 EDBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000579673890 448845970 /nfs/dbraw/zinc/84/59/70/448845970.db2.gz UUNCSHHCHOHWKG-HNNXBMFYSA-N 1 1 335.408 1.705 20 5 EDBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCc2c[nH+]cn2C1 ZINC000588067789 448866435 /nfs/dbraw/zinc/86/64/35/448866435.db2.gz PSWGSARNZGNVCC-JTQLQIEISA-N 1 1 336.373 1.622 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588858271 448940835 /nfs/dbraw/zinc/94/08/35/448940835.db2.gz UGECWNZUQYXNDA-UHFFFAOYSA-N 1 1 346.435 1.858 20 5 EDBDMO CN(CCCN(C)c1ncnc2ccc([N+](=O)[O-])cc21)CC[NH+](C)C ZINC000588858271 448940841 /nfs/dbraw/zinc/94/08/41/448940841.db2.gz UGECWNZUQYXNDA-UHFFFAOYSA-N 1 1 346.435 1.858 20 5 EDBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)c1 ZINC000582071306 449003574 /nfs/dbraw/zinc/00/35/74/449003574.db2.gz OFUQISFIMBOVDN-UHFFFAOYSA-N 1 1 342.359 1.238 20 5 EDBDMO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000589924524 449080721 /nfs/dbraw/zinc/08/07/21/449080721.db2.gz GJSPHESCVXBOBV-JOYOIKCWSA-N 1 1 345.808 1.573 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000589924524 449080726 /nfs/dbraw/zinc/08/07/26/449080726.db2.gz GJSPHESCVXBOBV-JOYOIKCWSA-N 1 1 345.808 1.573 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c2c(c1)COCO2 ZINC000595613063 449080882 /nfs/dbraw/zinc/08/08/82/449080882.db2.gz ZMQYHLSOTZXCBT-LBPRGKRZSA-N 1 1 345.359 1.575 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000589929904 449082949 /nfs/dbraw/zinc/08/29/49/449082949.db2.gz NUDFYVRJFRIVRN-YPMHNXCESA-N 1 1 325.390 1.228 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000589930122 449084535 /nfs/dbraw/zinc/08/45/35/449084535.db2.gz STDWPWGCBLZGNA-RISCZKNCSA-N 1 1 325.390 1.061 20 5 EDBDMO O=C1CC[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]2N1 ZINC000595729577 449134732 /nfs/dbraw/zinc/13/47/32/449134732.db2.gz UEWUFMPXZKFZRN-ZYHUDNBSSA-N 1 1 329.360 1.572 20 5 EDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]2N1 ZINC000595729577 449134736 /nfs/dbraw/zinc/13/47/36/449134736.db2.gz UEWUFMPXZKFZRN-ZYHUDNBSSA-N 1 1 329.360 1.572 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000590010599 449095184 /nfs/dbraw/zinc/09/51/84/449095184.db2.gz BAXMEMDWKCSUEH-XJKSGUPXSA-N 1 1 332.404 1.868 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590010599 449095188 /nfs/dbraw/zinc/09/51/88/449095188.db2.gz BAXMEMDWKCSUEH-XJKSGUPXSA-N 1 1 332.404 1.868 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590010599 449095192 /nfs/dbraw/zinc/09/51/92/449095192.db2.gz BAXMEMDWKCSUEH-XJKSGUPXSA-N 1 1 332.404 1.868 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(c3ncnc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000590141613 449111856 /nfs/dbraw/zinc/11/18/56/449111856.db2.gz SHCXHFPNSXBMDD-JKSUJKDBSA-N 1 1 343.387 1.837 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590280596 449123758 /nfs/dbraw/zinc/12/37/58/449123758.db2.gz IKLGUQBDGUXIJV-FZMZJTMJSA-N 1 1 332.360 1.004 20 5 EDBDMO CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](C)C1 ZINC000597946353 449154012 /nfs/dbraw/zinc/15/40/12/449154012.db2.gz OYFPDKPGXGYXOM-JTQLQIEISA-N 1 1 327.331 1.968 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000611107082 449170926 /nfs/dbraw/zinc/17/09/26/449170926.db2.gz ZIPSOMDATVRXEZ-SECBINFHSA-N 1 1 329.353 1.249 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000611107082 449170932 /nfs/dbraw/zinc/17/09/32/449170932.db2.gz ZIPSOMDATVRXEZ-SECBINFHSA-N 1 1 329.353 1.249 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595834907 449197384 /nfs/dbraw/zinc/19/73/84/449197384.db2.gz SXOZZZPONKGQOV-QWHCGFSZSA-N 1 1 349.387 1.900 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000590586476 449202414 /nfs/dbraw/zinc/20/24/14/449202414.db2.gz VTOUUFJNNWSXPK-UHFFFAOYSA-N 1 1 328.800 1.926 20 5 EDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000611195866 449210439 /nfs/dbraw/zinc/21/04/39/449210439.db2.gz AZLMBXVOPUFHTF-LBPRGKRZSA-N 1 1 346.387 1.917 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000611207167 449215293 /nfs/dbraw/zinc/21/52/93/449215293.db2.gz LLIAYANMNBDJLW-ZUZCIYMTSA-N 1 1 337.376 1.633 20 5 EDBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000590557431 449189938 /nfs/dbraw/zinc/18/99/38/449189938.db2.gz AKCLGYIFRVVZPH-UHFFFAOYSA-N 1 1 339.779 1.652 20 5 EDBDMO Cc1cccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600105127 449190930 /nfs/dbraw/zinc/19/09/30/449190930.db2.gz GYFVFRUXASMYFB-UHFFFAOYSA-N 1 1 333.388 1.840 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595880797 449228706 /nfs/dbraw/zinc/22/87/06/449228706.db2.gz ZMYKZXPSXDNLQG-BZNIZROVSA-N 1 1 337.376 1.492 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595880797 449228714 /nfs/dbraw/zinc/22/87/14/449228714.db2.gz ZMYKZXPSXDNLQG-BZNIZROVSA-N 1 1 337.376 1.492 20 5 EDBDMO CCn1cc(O[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C[C@H]2O)cn1 ZINC000600181557 449232025 /nfs/dbraw/zinc/23/20/25/449232025.db2.gz UJJYHJVINWFCMP-IAGOWNOFSA-N 1 1 346.387 1.744 20 5 EDBDMO CCn1cc(O[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C[C@H]2O)cn1 ZINC000600181557 449232032 /nfs/dbraw/zinc/23/20/32/449232032.db2.gz UJJYHJVINWFCMP-IAGOWNOFSA-N 1 1 346.387 1.744 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](Cc2ccccc2)C1 ZINC000593847376 449233965 /nfs/dbraw/zinc/23/39/65/449233965.db2.gz DLNHYMOGFBDJKM-ZDUSSCGKSA-N 1 1 329.360 1.317 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](Cc2ccccc2)C1 ZINC000593847376 449233968 /nfs/dbraw/zinc/23/39/68/449233968.db2.gz DLNHYMOGFBDJKM-ZDUSSCGKSA-N 1 1 329.360 1.317 20 5 EDBDMO C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000611374387 449274598 /nfs/dbraw/zinc/27/45/98/449274598.db2.gz HUTLFTZSPHOKEI-HUBLWGQQSA-N 1 1 336.392 1.674 20 5 EDBDMO C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000611374387 449274599 /nfs/dbraw/zinc/27/45/99/449274599.db2.gz HUTLFTZSPHOKEI-HUBLWGQQSA-N 1 1 336.392 1.674 20 5 EDBDMO O=[N+]([O-])c1ccc2ncnc(NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)c2c1 ZINC000590722026 449257925 /nfs/dbraw/zinc/25/79/25/449257925.db2.gz FPSVSLUPLUDYQW-BETUJISGSA-N 1 1 329.360 1.813 20 5 EDBDMO CNc1nccc(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598222065 449298950 /nfs/dbraw/zinc/29/89/50/449298950.db2.gz ZQLBIDOUMWTDPH-GFCCVEGCSA-N 1 1 347.419 2.168 20 5 EDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000600313689 449314369 /nfs/dbraw/zinc/31/43/69/449314369.db2.gz JGGOMEJPIMSCAF-NSHDSACASA-N 1 1 335.360 1.785 20 5 EDBDMO CC(C)(C(=O)N1CC[NH+](C(C)(C)CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000611516132 449317772 /nfs/dbraw/zinc/31/77/72/449317772.db2.gz UZBGCIPQUXIDCJ-UHFFFAOYSA-N 1 1 349.431 1.788 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCCCC2)O1 ZINC000594057709 449342206 /nfs/dbraw/zinc/34/22/06/449342206.db2.gz LVBYWHWTHGORHH-HIFRSBDPSA-N 1 1 338.408 1.576 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000598342756 449357129 /nfs/dbraw/zinc/35/71/29/449357129.db2.gz PXAHGCBOJLBRRF-CYBMUJFWSA-N 1 1 343.387 1.995 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596050843 449337441 /nfs/dbraw/zinc/33/74/41/449337441.db2.gz RGXBOBGXGMWVDA-LLVKDONJSA-N 1 1 328.394 1.138 20 5 EDBDMO Cc1cc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000598452864 449402280 /nfs/dbraw/zinc/40/22/80/449402280.db2.gz NBMHRMLAZKFPIB-HNNXBMFYSA-N 1 1 333.388 1.574 20 5 EDBDMO COC(=O)[C@@H]([NH2+]CCCNc1c(Cl)cncc1[N+](=O)[O-])C(C)C ZINC000596247322 449437054 /nfs/dbraw/zinc/43/70/54/449437054.db2.gz NJINGXJAGLCOTN-LBPRGKRZSA-N 1 1 344.799 1.654 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000612030435 449527904 /nfs/dbraw/zinc/52/79/04/449527904.db2.gz HDILVIJBGVJZRW-HUUCEWRRSA-N 1 1 346.387 1.868 20 5 EDBDMO CCC[N@H+]1CC[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000596516010 449537054 /nfs/dbraw/zinc/53/70/54/449537054.db2.gz BSMIDYWHMGGEAV-SNVBAGLBSA-N 1 1 328.394 1.138 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598897015 449636075 /nfs/dbraw/zinc/63/60/75/449636075.db2.gz WCTMKMHLRJPDQM-LBPRGKRZSA-N 1 1 349.391 1.174 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000594801468 449713286 /nfs/dbraw/zinc/71/32/86/449713286.db2.gz PCMSPCVDQSRMDX-CYBMUJFWSA-N 1 1 341.433 1.887 20 5 EDBDMO C[N@H+]1CCC[C@H](CCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594783863 449694114 /nfs/dbraw/zinc/69/41/14/449694114.db2.gz PAYKVPXGNZGRNA-LLVKDONJSA-N 1 1 328.394 1.000 20 5 EDBDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2ccc(N)c([N+](=O)[O-])n2)cc1 ZINC000599139356 449759193 /nfs/dbraw/zinc/75/91/93/449759193.db2.gz KUJGKZWNBVISHF-ZDUSSCGKSA-N 1 1 343.387 2.267 20 5 EDBDMO CN(C)C(=O)C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602798085 449818239 /nfs/dbraw/zinc/81/82/39/449818239.db2.gz ADAIVNDGQZVLDJ-AWEZNQCLSA-N 1 1 331.376 1.638 20 5 EDBDMO CO[C@@]1(CO)CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000597187181 449863261 /nfs/dbraw/zinc/86/32/61/449863261.db2.gz LSSYEYWANCGMIP-INIZCTEOSA-N 1 1 338.360 1.339 20 5 EDBDMO CO[C@@]1(CO)CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000597187181 449863264 /nfs/dbraw/zinc/86/32/64/449863264.db2.gz LSSYEYWANCGMIP-INIZCTEOSA-N 1 1 338.360 1.339 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c([N+](=O)[O-])s1 ZINC000601359232 449873245 /nfs/dbraw/zinc/87/32/45/449873245.db2.gz SCZRWBFQCIALJP-KOLCDFICSA-N 1 1 347.462 1.972 20 5 EDBDMO CC(C)[N@@H+](C)C[C@H](O)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962807 449964108 /nfs/dbraw/zinc/96/41/08/449964108.db2.gz PCWCMIWQJTVBIM-CVEARBPZSA-N 1 1 325.409 1.093 20 5 EDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCOC2CCOCC2)CC1 ZINC000599438844 449975656 /nfs/dbraw/zinc/97/56/56/449975656.db2.gz YVFNCOBZCDKULZ-UHFFFAOYSA-N 1 1 336.392 1.307 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)CC2C[NH+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601463421 449986668 /nfs/dbraw/zinc/98/66/68/449986668.db2.gz JRXHYYAPDDVJLH-UHFFFAOYSA-N 1 1 331.369 1.224 20 5 EDBDMO Cc1noc(CN2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000595293554 450007958 /nfs/dbraw/zinc/00/79/58/450007958.db2.gz CLQWXBXBVYYNIV-YRGRVCCFSA-N 1 1 338.408 1.965 20 5 EDBDMO Cc1noc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000595293554 450007963 /nfs/dbraw/zinc/00/79/63/450007963.db2.gz CLQWXBXBVYYNIV-YRGRVCCFSA-N 1 1 338.408 1.965 20 5 EDBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000595293554 450007967 /nfs/dbraw/zinc/00/79/67/450007967.db2.gz CLQWXBXBVYYNIV-YRGRVCCFSA-N 1 1 338.408 1.965 20 5 EDBDMO Cn1c(C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)ccc1[N+](=O)[O-] ZINC000603111602 450075077 /nfs/dbraw/zinc/07/50/77/450075077.db2.gz SHCVNTFHRFMLPU-STQMWFEESA-N 1 1 336.392 1.162 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609471317 450034183 /nfs/dbraw/zinc/03/41/83/450034183.db2.gz QPBIDOQVNVECDH-UHFFFAOYSA-N 1 1 333.348 1.478 20 5 EDBDMO C[N@H+]1CCCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000609624080 450073528 /nfs/dbraw/zinc/07/35/28/450073528.db2.gz UQJMEJSFNWMJHQ-UHFFFAOYSA-N 1 1 338.383 1.491 20 5 EDBDMO CN1CCC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000609624080 450073535 /nfs/dbraw/zinc/07/35/35/450073535.db2.gz UQJMEJSFNWMJHQ-UHFFFAOYSA-N 1 1 338.383 1.491 20 5 EDBDMO CN1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000609624080 450073542 /nfs/dbraw/zinc/07/35/42/450073542.db2.gz UQJMEJSFNWMJHQ-UHFFFAOYSA-N 1 1 338.383 1.491 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000618344314 450164676 /nfs/dbraw/zinc/16/46/76/450164676.db2.gz LRZSYZCDIIECEN-VXGBXAGGSA-N 1 1 331.376 1.429 20 5 EDBDMO Cc1noc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595542970 450219278 /nfs/dbraw/zinc/21/92/78/450219278.db2.gz GUIOPWRJCNFVET-OLZOCXBDSA-N 1 1 330.344 1.592 20 5 EDBDMO Nc1c(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000599800933 450227113 /nfs/dbraw/zinc/22/71/13/450227113.db2.gz MLXWIQMZFDWVNB-SECBINFHSA-N 1 1 343.771 1.019 20 5 EDBDMO COc1cc(C[NH+]2CCC(CO)(OC)CC2)c([N+](=O)[O-])cc1F ZINC000618551372 450240286 /nfs/dbraw/zinc/24/02/86/450240286.db2.gz ZBXJYOUPFCPGIW-UHFFFAOYSA-N 1 1 328.340 1.716 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000610500501 450246138 /nfs/dbraw/zinc/24/61/38/450246138.db2.gz LVMGDRIQZCLJTJ-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000610500501 450246140 /nfs/dbraw/zinc/24/61/40/450246140.db2.gz LVMGDRIQZCLJTJ-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000610907191 450377365 /nfs/dbraw/zinc/37/73/65/450377365.db2.gz CEBLLYUFBUBMEO-WFASDCNBSA-N 1 1 335.404 1.708 20 5 EDBDMO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610907191 450377368 /nfs/dbraw/zinc/37/73/68/450377368.db2.gz CEBLLYUFBUBMEO-WFASDCNBSA-N 1 1 335.404 1.708 20 5 EDBDMO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610930456 450383023 /nfs/dbraw/zinc/38/30/23/450383023.db2.gz JWQWZHSNDIJJQT-CYBMUJFWSA-N 1 1 349.387 1.714 20 5 EDBDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610930456 450383026 /nfs/dbraw/zinc/38/30/26/450383026.db2.gz JWQWZHSNDIJJQT-CYBMUJFWSA-N 1 1 349.387 1.714 20 5 EDBDMO CS(=O)(=O)C1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000619432658 450472126 /nfs/dbraw/zinc/47/21/26/450472126.db2.gz LDQSYPALBFBWMZ-UHFFFAOYSA-N 1 1 342.373 1.033 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452073511 486238158 /nfs/dbraw/zinc/23/81/58/486238158.db2.gz ZBDKRKOXHGMKRU-RYUDHWBXSA-N 1 1 337.376 1.635 20 5 EDBDMO Cc1c(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000186901349 533752557 /nfs/dbraw/zinc/75/25/57/533752557.db2.gz NNQQXCFMNHIYEL-LBPRGKRZSA-N 1 1 335.404 1.820 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000173706489 534318025 /nfs/dbraw/zinc/31/80/25/534318025.db2.gz DEWDKESITGERHA-KRWDZBQOSA-N 1 1 348.447 1.905 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153323742 534618368 /nfs/dbraw/zinc/61/83/68/534618368.db2.gz JANOVKSIWUZZHL-UKRRQHHQSA-N 1 1 347.419 1.575 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000174545161 527825023 /nfs/dbraw/zinc/82/50/23/527825023.db2.gz KOBHQIPIGBAOIU-CQSZACIVSA-N 1 1 334.420 1.831 20 5 EDBDMO CCCc1n[nH]c(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000171804070 528547731 /nfs/dbraw/zinc/54/77/31/528547731.db2.gz CHBYKZQQFLLTHV-JTQLQIEISA-N 1 1 334.380 1.841 20 5 EDBDMO CCOc1ccc([C@@H](C)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000271074678 535411459 /nfs/dbraw/zinc/41/14/59/535411459.db2.gz GEMFNGAQOPOBSQ-UKRRQHHQSA-N 1 1 336.436 1.890 20 5 EDBDMO CCOc1ccc([C@@H](C)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000271074678 535411461 /nfs/dbraw/zinc/41/14/61/535411461.db2.gz GEMFNGAQOPOBSQ-UKRRQHHQSA-N 1 1 336.436 1.890 20 5 EDBDMO CCN1CC[NH+](CCC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000272094069 535683097 /nfs/dbraw/zinc/68/30/97/535683097.db2.gz KAPMJPXLMHOUHY-AWEZNQCLSA-N 1 1 334.420 1.800 20 5 EDBDMO COC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000247543267 536762963 /nfs/dbraw/zinc/76/29/63/536762963.db2.gz YPTCIZGNCWDXNE-DOMZBBRYSA-N 1 1 347.371 1.585 20 5 EDBDMO COC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000247543267 536762969 /nfs/dbraw/zinc/76/29/69/536762969.db2.gz YPTCIZGNCWDXNE-DOMZBBRYSA-N 1 1 347.371 1.585 20 5 EDBDMO C[N@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CCC1 ZINC000742173610 579437809 /nfs/dbraw/zinc/43/78/09/579437809.db2.gz UTTVITGAIRHNHN-MRXNPFEDSA-N 1 1 332.360 1.804 20 5 EDBDMO C[N@@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CCC1 ZINC000742173610 579437810 /nfs/dbraw/zinc/43/78/10/579437810.db2.gz UTTVITGAIRHNHN-MRXNPFEDSA-N 1 1 332.360 1.804 20 5 EDBDMO CCC[N@@H+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746108009 579572169 /nfs/dbraw/zinc/57/21/69/579572169.db2.gz VDHHBVRHVAARSE-UHFFFAOYSA-N 1 1 334.420 1.975 20 5 EDBDMO COC(=O)[C@@H](C)C[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CC1 ZINC000749944490 579744564 /nfs/dbraw/zinc/74/45/64/579744564.db2.gz FAFRVEKIEWCSTD-JTQLQIEISA-N 1 1 347.375 1.879 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000750036265 579749336 /nfs/dbraw/zinc/74/93/36/579749336.db2.gz KHKMIHQKOCWHGC-ZWKOTPCHSA-N 1 1 349.431 1.815 20 5 EDBDMO C/C(=C\C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000751746315 579820162 /nfs/dbraw/zinc/82/01/62/579820162.db2.gz RSTYCIAUIKYZDS-WZFZXHKMSA-N 1 1 345.399 1.978 20 5 EDBDMO C/C(=C/C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752065546 579836816 /nfs/dbraw/zinc/83/68/16/579836816.db2.gz KXHFCFRENCEXQB-ZSMUJPCHSA-N 1 1 346.431 1.750 20 5 EDBDMO CC[N@H+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000754222768 579898733 /nfs/dbraw/zinc/89/87/33/579898733.db2.gz CVGBKYMWACZKEM-LBPRGKRZSA-N 1 1 331.376 1.497 20 5 EDBDMO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000754510374 579904701 /nfs/dbraw/zinc/90/47/01/579904701.db2.gz PNNDAJHNDIZSHV-AWEZNQCLSA-N 1 1 340.380 1.128 20 5 EDBDMO C[C@@H]1CCC[N@H+]1CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000758870097 579993775 /nfs/dbraw/zinc/99/37/75/579993775.db2.gz NFDRRGJPJFPZCL-SNVBAGLBSA-N 1 1 328.394 1.138 20 5 EDBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778246880 580459840 /nfs/dbraw/zinc/45/98/40/580459840.db2.gz SLYGPAUQVXALAI-UHFFFAOYSA-N 1 1 346.372 1.925 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000768841739 580221963 /nfs/dbraw/zinc/22/19/63/580221963.db2.gz NBEASIDALPPJHM-GHMZBOCLSA-N 1 1 325.340 1.664 20 5 EDBDMO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586050 580422567 /nfs/dbraw/zinc/42/25/67/580422567.db2.gz ILVMQMRSIVCAFY-KBPBESRZSA-N 1 1 340.401 1.609 20 5 EDBDMO COC(=O)C[C@H]1CSCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586050 580422568 /nfs/dbraw/zinc/42/25/68/580422568.db2.gz ILVMQMRSIVCAFY-KBPBESRZSA-N 1 1 340.401 1.609 20 5 EDBDMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000780865044 580535574 /nfs/dbraw/zinc/53/55/74/580535574.db2.gz HZKWGXRGXJPVOQ-ZDUSSCGKSA-N 1 1 341.433 1.541 20 5 EDBDMO COCC[N@@H+](Cc1ccnn1C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000786236869 580664860 /nfs/dbraw/zinc/66/48/60/580664860.db2.gz XHSDAOWRLRYKCO-INIZCTEOSA-N 1 1 334.376 1.510 20 5 EDBDMO COCC[N@H+](Cc1ccnn1C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000786236869 580664861 /nfs/dbraw/zinc/66/48/61/580664861.db2.gz XHSDAOWRLRYKCO-INIZCTEOSA-N 1 1 334.376 1.510 20 5 EDBDMO C[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000790361663 580767572 /nfs/dbraw/zinc/76/75/72/580767572.db2.gz ZRVCKFJSOAKSKT-XJKSGUPXSA-N 1 1 336.388 1.898 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000790361663 580767573 /nfs/dbraw/zinc/76/75/73/580767573.db2.gz ZRVCKFJSOAKSKT-XJKSGUPXSA-N 1 1 336.388 1.898 20 5 EDBDMO COCC[N@@H+](C)CCCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000891805294 590628299 /nfs/dbraw/zinc/62/82/99/590628299.db2.gz GBFHCTPHHVMOSV-UHFFFAOYSA-N 1 1 348.403 1.827 20 5 EDBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[N@@H+]3CCOC[C@@H]3C2)cc1C ZINC000893159702 590689253 /nfs/dbraw/zinc/68/92/53/590689253.db2.gz SDJMQLJXNUWDAF-ZDUSSCGKSA-N 1 1 349.387 1.601 20 5 EDBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[N@H+]3CCOC[C@@H]3C2)cc1C ZINC000893159702 590689257 /nfs/dbraw/zinc/68/92/57/590689257.db2.gz SDJMQLJXNUWDAF-ZDUSSCGKSA-N 1 1 349.387 1.601 20 5 EDBDMO COCCO[C@@H]1CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000893873380 591123698 /nfs/dbraw/zinc/12/36/98/591123698.db2.gz HDRVJMCFABGHKO-GFCCVEGCSA-N 1 1 326.349 1.546 20 5 EDBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000893873380 591123700 /nfs/dbraw/zinc/12/37/00/591123700.db2.gz HDRVJMCFABGHKO-GFCCVEGCSA-N 1 1 326.349 1.546 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1C ZINC000896212974 591389736 /nfs/dbraw/zinc/38/97/36/591389736.db2.gz RKAMUZOSTYNUQF-GOEBONIOSA-N 1 1 347.415 1.883 20 5 EDBDMO O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000894780762 591417156 /nfs/dbraw/zinc/41/71/56/591417156.db2.gz JNSWWYGTVSPHKS-SNVBAGLBSA-N 1 1 336.779 1.697 20 5 EDBDMO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000896575426 591534620 /nfs/dbraw/zinc/53/46/20/591534620.db2.gz PSQJTPLPXQFTFZ-BBRMVZONSA-N 1 1 349.435 1.147 20 5 EDBDMO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000896575426 591534626 /nfs/dbraw/zinc/53/46/26/591534626.db2.gz PSQJTPLPXQFTFZ-BBRMVZONSA-N 1 1 349.435 1.147 20 5 EDBDMO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000896575426 591534628 /nfs/dbraw/zinc/53/46/28/591534628.db2.gz PSQJTPLPXQFTFZ-BBRMVZONSA-N 1 1 349.435 1.147 20 5 EDBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897221893 591776331 /nfs/dbraw/zinc/77/63/31/591776331.db2.gz PXBWBKZAHPGWAW-DLBZAZTESA-N 1 1 335.404 1.777 20 5 EDBDMO CO[C@H]1CC[C@H]1[N@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000902639350 592034085 /nfs/dbraw/zinc/03/40/85/592034085.db2.gz UZJKWKGNUMGLSM-CABCVRRESA-N 1 1 334.376 1.904 20 5 EDBDMO CO[C@H]1CC[C@H]1[N@@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000902639350 592034088 /nfs/dbraw/zinc/03/40/88/592034088.db2.gz UZJKWKGNUMGLSM-CABCVRRESA-N 1 1 334.376 1.904 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000903214924 592140604 /nfs/dbraw/zinc/14/06/04/592140604.db2.gz BSJLUYWKSTWBIH-LBPRGKRZSA-N 1 1 341.389 1.072 20 5 EDBDMO C/C(=C\C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000900801361 592142036 /nfs/dbraw/zinc/14/20/36/592142036.db2.gz CSEYHKUDHAARIO-CSYXYTOGSA-N 1 1 346.431 1.749 20 5 EDBDMO C/C(=C\C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000900801361 592142043 /nfs/dbraw/zinc/14/20/43/592142043.db2.gz CSEYHKUDHAARIO-CSYXYTOGSA-N 1 1 346.431 1.749 20 5 EDBDMO C/C(=C\C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000900801361 592142045 /nfs/dbraw/zinc/14/20/45/592142045.db2.gz CSEYHKUDHAARIO-CSYXYTOGSA-N 1 1 346.431 1.749 20 5 EDBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](C3OCCO3)C2)nc1-c1ccccn1 ZINC000905697404 592626753 /nfs/dbraw/zinc/62/67/53/592626753.db2.gz JKQWTNROOYXMAW-GFCCVEGCSA-N 1 1 345.359 1.506 20 5 EDBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@H](C3OCCO3)C2)nc1-c1ccccn1 ZINC000905697404 592626754 /nfs/dbraw/zinc/62/67/54/592626754.db2.gz JKQWTNROOYXMAW-GFCCVEGCSA-N 1 1 345.359 1.506 20 5 EDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000808160453 593231018 /nfs/dbraw/zinc/23/10/18/593231018.db2.gz MFBQULVWHWCUQB-RDLIDLCESA-N 1 1 331.372 1.276 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810540788 593410791 /nfs/dbraw/zinc/41/07/91/593410791.db2.gz BPVFLUDQTGURKT-OAHLLOKOSA-N 1 1 342.371 1.855 20 5 EDBDMO CC[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCOC1 ZINC000812296726 593495137 /nfs/dbraw/zinc/49/51/37/593495137.db2.gz QLZKVXKLUHKLPG-CQSZACIVSA-N 1 1 348.359 1.432 20 5 EDBDMO CC[N@@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCOC1 ZINC000812296726 593495138 /nfs/dbraw/zinc/49/51/38/593495138.db2.gz QLZKVXKLUHKLPG-CQSZACIVSA-N 1 1 348.359 1.432 20 5 EDBDMO O=C(C[C@@H]1COC(=O)C1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173276 593521461 /nfs/dbraw/zinc/52/14/61/593521461.db2.gz ZRTUFUFHZQTPMR-HIFRSBDPSA-N 1 1 348.355 1.666 20 5 EDBDMO O=C(C[C@@H]1COC(=O)C1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173276 593521463 /nfs/dbraw/zinc/52/14/63/593521463.db2.gz ZRTUFUFHZQTPMR-HIFRSBDPSA-N 1 1 348.355 1.666 20 5 EDBDMO O=C(CCn1ccnn1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173162 593521551 /nfs/dbraw/zinc/52/15/51/593521551.db2.gz XYDCKKXRESAAQA-HNNXBMFYSA-N 1 1 345.359 1.394 20 5 EDBDMO O=C(CCn1ccnn1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173162 593521552 /nfs/dbraw/zinc/52/15/52/593521552.db2.gz XYDCKKXRESAAQA-HNNXBMFYSA-N 1 1 345.359 1.394 20 5 EDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000818593534 593706421 /nfs/dbraw/zinc/70/64/21/593706421.db2.gz ZTIDCVNGXPFFSF-CYBMUJFWSA-N 1 1 349.778 1.768 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)CNC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000819175296 593742751 /nfs/dbraw/zinc/74/27/51/593742751.db2.gz WDEZQQIDWFZCNS-RCCFBDPRSA-N 1 1 349.431 1.596 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000820263877 593804126 /nfs/dbraw/zinc/80/41/26/593804126.db2.gz INIDJEHADROSTE-GMSGAONNSA-N 1 1 342.758 1.746 20 5 EDBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000823133391 594158207 /nfs/dbraw/zinc/15/82/07/594158207.db2.gz OQVSKMJVQOEVEW-SNVBAGLBSA-N 1 1 338.339 1.516 20 5 EDBDMO CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000832405951 594748091 /nfs/dbraw/zinc/74/80/91/594748091.db2.gz QCWIRLRDDCTRFB-AMFJVREVSA-N 1 1 333.388 1.712 20 5 EDBDMO Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c(N)c([N+](=O)[O-])c1 ZINC000833558480 594873590 /nfs/dbraw/zinc/87/35/90/594873590.db2.gz CDMCMVKVYRCZJA-LBPRGKRZSA-N 1 1 336.392 1.062 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cc([N+](=O)[O-])ccc1Cl ZINC000833565847 594875631 /nfs/dbraw/zinc/87/56/31/594875631.db2.gz MXPSWRULEHBTLL-LBPRGKRZSA-N 1 1 341.795 1.825 20 5 EDBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000837155487 595045243 /nfs/dbraw/zinc/04/52/43/595045243.db2.gz LADUZJUTCDCDAM-DLBZAZTESA-N 1 1 341.367 1.801 20 5 EDBDMO O=[N+]([O-])c1cc(-c2noc(C[NH2+]C3CC3)n2)ccc1-n1cncn1 ZINC000843237879 595046769 /nfs/dbraw/zinc/04/67/69/595046769.db2.gz WVJRLTVCFGHASD-UHFFFAOYSA-N 1 1 327.304 1.478 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000843486549 595126740 /nfs/dbraw/zinc/12/67/40/595126740.db2.gz ICMBVXPBTYRLBZ-CQSZACIVSA-N 1 1 340.311 1.585 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843766547 595181094 /nfs/dbraw/zinc/18/10/94/595181094.db2.gz NNVHZMBZHBXOMS-UHFFFAOYSA-N 1 1 327.356 1.740 20 5 EDBDMO C[C@H]1COCC[N@H+]1C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846911009 595336244 /nfs/dbraw/zinc/33/62/44/595336244.db2.gz GIIVYGBUEJADFP-KBXCAEBGSA-N 1 1 349.431 1.813 20 5 EDBDMO C[C@H]1COCCN1C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846911009 595336246 /nfs/dbraw/zinc/33/62/46/595336246.db2.gz GIIVYGBUEJADFP-KBXCAEBGSA-N 1 1 349.431 1.813 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848475918 595388666 /nfs/dbraw/zinc/38/86/66/595388666.db2.gz VTHFSMABASYTIJ-HIFRSBDPSA-N 1 1 347.371 1.363 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848475918 595388669 /nfs/dbraw/zinc/38/86/69/595388669.db2.gz VTHFSMABASYTIJ-HIFRSBDPSA-N 1 1 347.371 1.363 20 5 EDBDMO COC[C@@H]1CCC[N@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479768 595390407 /nfs/dbraw/zinc/39/04/07/595390407.db2.gz BFGBUJLBXUWPSM-HOTGVXAUSA-N 1 1 333.388 1.979 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848583297 595409154 /nfs/dbraw/zinc/40/91/54/595409154.db2.gz WPCXBAULPLWOPO-UHFFFAOYSA-N 1 1 340.286 1.888 20 5 EDBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@@H]1CC[N@@H+](C)C1 ZINC000855360852 595685321 /nfs/dbraw/zinc/68/53/21/595685321.db2.gz PFCPLLOJXKWDSG-LLVKDONJSA-N 1 1 338.383 1.966 20 5 EDBDMO O=[N+]([O-])c1c(N2CCC[C@H]([NH+]3CCOCC3)C2)nc2ccccn21 ZINC000853651696 595847035 /nfs/dbraw/zinc/84/70/35/595847035.db2.gz LYFSJJWBGVWBBW-ZDUSSCGKSA-N 1 1 331.376 1.544 20 5 EDBDMO COC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000114063060 595938587 /nfs/dbraw/zinc/93/85/87/595938587.db2.gz ABFLDDNXAUGHSA-SECBINFHSA-N 1 1 343.767 1.928 20 5 EDBDMO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000114063060 595938590 /nfs/dbraw/zinc/93/85/90/595938590.db2.gz ABFLDDNXAUGHSA-SECBINFHSA-N 1 1 343.767 1.928 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000856476070 596001089 /nfs/dbraw/zinc/00/10/89/596001089.db2.gz LVZBUYMDQXDGNV-YOEHRIQHSA-N 1 1 347.415 1.866 20 5 EDBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCOCCO)C2CCC2)c([N+](=O)[O-])c1 ZINC000852291078 596114029 /nfs/dbraw/zinc/11/40/29/596114029.db2.gz RAOZVCGCOYKRLA-UHFFFAOYSA-N 1 1 339.348 1.866 20 5 EDBDMO O=[N+]([O-])c1ccc(C[N@H+](CCOCCO)C2CCC2)c([N+](=O)[O-])c1 ZINC000852291078 596114032 /nfs/dbraw/zinc/11/40/32/596114032.db2.gz RAOZVCGCOYKRLA-UHFFFAOYSA-N 1 1 339.348 1.866 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000859585800 596139548 /nfs/dbraw/zinc/13/95/48/596139548.db2.gz CTUKAYKTXFSCIR-DLBZAZTESA-N 1 1 346.387 1.136 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cc([N+](=O)[O-])ccc1F ZINC000854690493 596162082 /nfs/dbraw/zinc/16/20/82/596162082.db2.gz XFMNCZMCVVWODL-LBPRGKRZSA-N 1 1 325.340 1.311 20 5 EDBDMO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC1(C)C ZINC000867681197 596494487 /nfs/dbraw/zinc/49/44/87/596494487.db2.gz XWKWRJIIPZUYBO-UHFFFAOYSA-N 1 1 328.394 1.095 20 5 EDBDMO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC1(C)C ZINC000867681197 596494488 /nfs/dbraw/zinc/49/44/88/596494488.db2.gz XWKWRJIIPZUYBO-UHFFFAOYSA-N 1 1 328.394 1.095 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000867812078 596563472 /nfs/dbraw/zinc/56/34/72/596563472.db2.gz HWSINJPEBUBXDU-ZJUUUORDSA-N 1 1 331.419 1.371 20 5 EDBDMO C[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)C[NH+]1CCOCC1 ZINC000865548692 596607746 /nfs/dbraw/zinc/60/77/46/596607746.db2.gz GOGWLGNTLPXYTE-LLVKDONJSA-N 1 1 327.356 1.606 20 5 EDBDMO COc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CC[NH2+]2)cc1 ZINC000870137764 596766183 /nfs/dbraw/zinc/76/61/83/596766183.db2.gz BEHPEUODUPUWDQ-ZDUSSCGKSA-N 1 1 331.328 1.983 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206754 596826883 /nfs/dbraw/zinc/82/68/83/596826883.db2.gz FVQOJFKVPVGMJM-AAEUAGOBSA-N 1 1 334.376 1.615 20 5 EDBDMO C[NH+]1CCN(C2CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)CC1 ZINC000866212494 596829790 /nfs/dbraw/zinc/82/97/90/596829790.db2.gz GLSWDIOSCDGLHR-UHFFFAOYSA-N 1 1 339.827 1.859 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866213747 596830059 /nfs/dbraw/zinc/83/00/59/596830059.db2.gz XKQGVAMJCSLDJC-UHFFFAOYSA-N 1 1 336.440 1.336 20 5 EDBDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000872663255 597017934 /nfs/dbraw/zinc/01/79/34/597017934.db2.gz JPQGBRZGYUWIGX-VXGBXAGGSA-N 1 1 325.390 1.452 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000872663255 597017937 /nfs/dbraw/zinc/01/79/37/597017937.db2.gz JPQGBRZGYUWIGX-VXGBXAGGSA-N 1 1 325.390 1.452 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000872663307 597018004 /nfs/dbraw/zinc/01/80/04/597018004.db2.gz JSSZJOVZDQWTDL-HUUCEWRRSA-N 1 1 339.417 1.760 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872666757 597022459 /nfs/dbraw/zinc/02/24/59/597022459.db2.gz ZVMMKRBBXBVRNK-ZIAGYGMSSA-N 1 1 339.417 1.760 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872666757 597022461 /nfs/dbraw/zinc/02/24/61/597022461.db2.gz ZVMMKRBBXBVRNK-ZIAGYGMSSA-N 1 1 339.417 1.760 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000874366385 597038708 /nfs/dbraw/zinc/03/87/08/597038708.db2.gz HSHYVFQDGHSQFW-CABCVRRESA-N 1 1 346.387 1.537 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000872726093 597047747 /nfs/dbraw/zinc/04/77/47/597047747.db2.gz LINYZOAKGKTIPC-AAEUAGOBSA-N 1 1 332.360 1.486 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000872781271 597064839 /nfs/dbraw/zinc/06/48/39/597064839.db2.gz QYBBECFDAXGOPQ-CHWSQXEVSA-N 1 1 334.376 1.839 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000874847499 597198490 /nfs/dbraw/zinc/19/84/90/597198490.db2.gz PEAHWWZTFQHEAM-OLZOCXBDSA-N 1 1 347.371 1.675 20 5 EDBDMO COCC[NH+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000877949837 597565672 /nfs/dbraw/zinc/56/56/72/597565672.db2.gz CXYDWEGMPBBTLZ-UHFFFAOYSA-N 1 1 347.375 1.409 20 5 EDBDMO C=C/C=C\CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000878722049 597690470 /nfs/dbraw/zinc/69/04/70/597690470.db2.gz OQUXQLWAUCKFQT-PLNGDYQASA-N 1 1 339.417 1.937 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880048931 597822449 /nfs/dbraw/zinc/82/24/49/597822449.db2.gz CFPGBGRBNLZFBB-LLVKDONJSA-N 1 1 335.282 1.410 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880048931 597822451 /nfs/dbraw/zinc/82/24/51/597822451.db2.gz CFPGBGRBNLZFBB-LLVKDONJSA-N 1 1 335.282 1.410 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000882484265 597972346 /nfs/dbraw/zinc/97/23/46/597972346.db2.gz XQIVHYMBTLTMRU-OAHLLOKOSA-N 1 1 329.360 1.605 20 5 EDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c1 ZINC000880589118 597973672 /nfs/dbraw/zinc/97/36/72/597973672.db2.gz KSRVUVJSPHWZGB-OAHLLOKOSA-N 1 1 336.388 1.837 20 5 EDBDMO COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000996428445 702782817 /nfs/dbraw/zinc/78/28/17/702782817.db2.gz DJTHPGVDHDILOQ-HZPDHXFCSA-N 1 1 333.388 1.441 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000054463333 214239807 /nfs/dbraw/zinc/23/98/07/214239807.db2.gz DWYHUWCZKZYXDN-AWEZNQCLSA-N 1 1 336.392 1.385 20 5 EDBDMO Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000174195285 231147001 /nfs/dbraw/zinc/14/70/01/231147001.db2.gz TUVVPOLZBCEVPC-AWEZNQCLSA-N 1 1 333.388 1.698 20 5 EDBDMO CCc1n[nH]c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000171774595 529467511 /nfs/dbraw/zinc/46/75/11/529467511.db2.gz UHLIMHPQFMQMAP-UHFFFAOYSA-N 1 1 343.387 1.668 20 5 EDBDMO CCc1n[nH]c(C(=O)NCC[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000171774595 529467513 /nfs/dbraw/zinc/46/75/13/529467513.db2.gz UHLIMHPQFMQMAP-UHFFFAOYSA-N 1 1 343.387 1.668 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000562972202 306314211 /nfs/dbraw/zinc/31/42/11/306314211.db2.gz ANQRJWKNUYWHCL-HNNXBMFYSA-N 1 1 332.335 1.859 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@](C)(O)C1 ZINC000124446133 138326622 /nfs/dbraw/zinc/32/66/22/138326622.db2.gz DGFGYSPSYWZPAR-INIZCTEOSA-N 1 1 337.376 1.779 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186887545 236054772 /nfs/dbraw/zinc/05/47/72/236054772.db2.gz YLTKMVAHYQSTLS-CYBMUJFWSA-N 1 1 335.404 1.441 20 5 EDBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000186974764 236083454 /nfs/dbraw/zinc/08/34/54/236083454.db2.gz FFAOQCQNEIKYLK-LLVKDONJSA-N 1 1 339.367 1.651 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000186974764 236083456 /nfs/dbraw/zinc/08/34/56/236083456.db2.gz FFAOQCQNEIKYLK-LLVKDONJSA-N 1 1 339.367 1.651 20 5 EDBDMO CC(C)n1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000564724106 306363856 /nfs/dbraw/zinc/36/38/56/306363856.db2.gz UCPNSCROKKLXBZ-HNNXBMFYSA-N 1 1 334.376 1.902 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413928119 304091263 /nfs/dbraw/zinc/09/12/63/304091263.db2.gz YKXCSAGPLUGUCI-GFCCVEGCSA-N 1 1 335.360 1.080 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413928119 304091264 /nfs/dbraw/zinc/09/12/64/304091264.db2.gz YKXCSAGPLUGUCI-GFCCVEGCSA-N 1 1 335.360 1.080 20 5 EDBDMO [NH3+]CC(F)(F)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000565151251 306376112 /nfs/dbraw/zinc/37/61/12/306376112.db2.gz KEXREGYFALHXHZ-UHFFFAOYSA-N 1 1 328.319 1.228 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000130671444 223168599 /nfs/dbraw/zinc/16/85/99/223168599.db2.gz WFAWADWQLIBWNI-ZDUSSCGKSA-N 1 1 341.433 1.746 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC[C@@H](C)O ZINC000072713960 216298728 /nfs/dbraw/zinc/29/87/28/216298728.db2.gz RGSBYKHNLVDGBT-LLVKDONJSA-N 1 1 325.365 1.635 20 5 EDBDMO CC(C)Cn1ccnc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000565887024 306393797 /nfs/dbraw/zinc/39/37/97/306393797.db2.gz CSCQCCOHNVNMEP-CQSZACIVSA-N 1 1 348.403 1.977 20 5 EDBDMO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000110347513 220030839 /nfs/dbraw/zinc/03/08/39/220030839.db2.gz BUCHXOLDIRKUDD-AWEZNQCLSA-N 1 1 345.403 1.818 20 5 EDBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000111220980 220113752 /nfs/dbraw/zinc/11/37/52/220113752.db2.gz LQVOFTHIULUAKM-RYUDHWBXSA-N 1 1 334.376 1.143 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111317260 220139078 /nfs/dbraw/zinc/13/90/78/220139078.db2.gz RBIWYCYJWXXFHO-ONXXMXGDSA-N 1 1 349.387 1.920 20 5 EDBDMO Cc1ccc(NCCCNC(=O)[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000081435671 217396876 /nfs/dbraw/zinc/39/68/76/217396876.db2.gz KBRNQWWHUYZBBK-OAHLLOKOSA-N 1 1 336.392 1.152 20 5 EDBDMO Cc1ccc(NCCCNC(=O)[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000081435671 217396877 /nfs/dbraw/zinc/39/68/77/217396877.db2.gz KBRNQWWHUYZBBK-OAHLLOKOSA-N 1 1 336.392 1.152 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000247552041 139152112 /nfs/dbraw/zinc/15/21/12/139152112.db2.gz QAMMNYLDLVQMCJ-CVEARBPZSA-N 1 1 348.428 1.942 20 5 EDBDMO O=C(NC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262179462 139257749 /nfs/dbraw/zinc/25/77/49/139257749.db2.gz INAMCGZNTRQRCL-WBVHZDCISA-N 1 1 346.431 1.675 20 5 EDBDMO O=C(NC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]1 ZINC000262256479 139264143 /nfs/dbraw/zinc/26/41/43/139264143.db2.gz QSTUNCWDPNVVNG-DOTOQJQBSA-N 1 1 346.431 1.675 20 5 EDBDMO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153700129 224144816 /nfs/dbraw/zinc/14/48/16/224144816.db2.gz XFVLBZYPHASAOL-OAHLLOKOSA-N 1 1 343.387 1.947 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245990247 285189177 /nfs/dbraw/zinc/18/91/77/285189177.db2.gz WTGUKESJWIFHEI-GXTWGEPZSA-N 1 1 326.422 1.778 20 5 EDBDMO Nc1nc(NCc2cccc(C[NH+]3CCOCC3)c2)ncc1[N+](=O)[O-] ZINC000263786067 139360273 /nfs/dbraw/zinc/36/02/73/139360273.db2.gz ZXSRHYYOXFXHEU-UHFFFAOYSA-N 1 1 344.375 1.411 20 5 EDBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC[N@@H+]1CC=CCC1 ZINC000487570483 255033135 /nfs/dbraw/zinc/03/31/35/255033135.db2.gz GLJBINOQWLTRLI-UHFFFAOYSA-N 1 1 325.315 1.794 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000493899050 255225270 /nfs/dbraw/zinc/22/52/70/255225270.db2.gz AYIXRWISSOQVCC-CHWSQXEVSA-N 1 1 341.433 1.973 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000493249785 255199542 /nfs/dbraw/zinc/19/95/42/255199542.db2.gz CNAOPHIRNHOQLK-PSKZRQQASA-N 1 1 347.371 1.171 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493272382 255201013 /nfs/dbraw/zinc/20/10/13/255201013.db2.gz NPZICWRRIWTOQK-JUBSNLHESA-N 1 1 333.388 1.522 20 5 EDBDMO CC[C@]1(O)CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000495210936 255273251 /nfs/dbraw/zinc/27/32/51/255273251.db2.gz GOFSTHIROCMADN-INIZCTEOSA-N 1 1 337.376 1.779 20 5 EDBDMO Cc1nn(CCC(=O)NCC[N@@H+]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000264019960 139375903 /nfs/dbraw/zinc/37/59/03/139375903.db2.gz XSMFUAFCJURNOX-GFCCVEGCSA-N 1 1 337.424 1.789 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118097549 221116432 /nfs/dbraw/zinc/11/64/32/221116432.db2.gz XUAGFILWHGOKGS-CYBMUJFWSA-N 1 1 334.376 1.442 20 5 EDBDMO C[C@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000154954009 224333106 /nfs/dbraw/zinc/33/31/06/224333106.db2.gz XAOGFKZIRNDWBA-NSHDSACASA-N 1 1 333.392 1.542 20 5 EDBDMO Cc1cccc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000270379612 140089341 /nfs/dbraw/zinc/08/93/41/140089341.db2.gz OMABACCEFQSUGU-UHFFFAOYSA-N 1 1 335.404 1.822 20 5 EDBDMO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000270625841 140136708 /nfs/dbraw/zinc/13/67/08/140136708.db2.gz HYAOHQIXNRDJMN-SWLSCSKDSA-N 1 1 329.360 1.802 20 5 EDBDMO O=C(N1CCCC1)[C@@]1(O)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000331655441 141062980 /nfs/dbraw/zinc/06/29/80/141062980.db2.gz LONAMLXIJZKVFR-GOSISDBHSA-N 1 1 347.415 1.587 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345922999 143147494 /nfs/dbraw/zinc/14/74/94/143147494.db2.gz PSYGWBDFDKMEIN-KGLIPLIRSA-N 1 1 334.420 1.972 20 5 EDBDMO COC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000347012931 143271365 /nfs/dbraw/zinc/27/13/65/143271365.db2.gz OPTVUBNPILVGDD-CQSZACIVSA-N 1 1 347.371 1.690 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1C ZINC000347032363 143274172 /nfs/dbraw/zinc/27/41/72/143274172.db2.gz BIULPYWPNIDIPS-DFBGVHRSSA-N 1 1 347.371 1.584 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1C ZINC000347032363 143274173 /nfs/dbraw/zinc/27/41/73/143274173.db2.gz BIULPYWPNIDIPS-DFBGVHRSSA-N 1 1 347.371 1.584 20 5 EDBDMO C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347075208 143279572 /nfs/dbraw/zinc/27/95/72/143279572.db2.gz AGFFSFFHDDYZHZ-YGRLFVJLSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351598793 143585915 /nfs/dbraw/zinc/58/59/15/143585915.db2.gz NVELAMNSMOWTCD-JTQLQIEISA-N 1 1 338.339 1.225 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@@H]2C1 ZINC000355328893 150220001 /nfs/dbraw/zinc/22/00/01/150220001.db2.gz YUNBBVJJVPSVGD-TZMCWYRMSA-N 1 1 335.360 1.236 20 5 EDBDMO C[C@@H](CCNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000357915412 151194599 /nfs/dbraw/zinc/19/45/99/151194599.db2.gz UKVUXDJHPXEFHI-ZDUSSCGKSA-N 1 1 345.403 1.969 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358430673 151371959 /nfs/dbraw/zinc/37/19/59/151371959.db2.gz ZYMISPKPPSOTHX-LBPRGKRZSA-N 1 1 325.340 1.113 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000360654347 152140191 /nfs/dbraw/zinc/14/01/91/152140191.db2.gz ULLRHPDJEYRRBE-DGCLKSJQSA-N 1 1 341.433 1.918 20 5 EDBDMO CC[C@H]1CN(c2c([N+](=O)[O-])nc(C)n2CC)CC[N@H+]1C[C@@H](C)O ZINC000360901380 152246757 /nfs/dbraw/zinc/24/67/57/152246757.db2.gz IQJDADNOZPBHOV-YPMHNXCESA-N 1 1 325.413 1.401 20 5 EDBDMO CCc1n[nH]c(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000360924841 152253440 /nfs/dbraw/zinc/25/34/40/152253440.db2.gz CMEMDYVMPBXISU-DMDPSCGWSA-N 1 1 333.392 1.437 20 5 EDBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000360924841 152253442 /nfs/dbraw/zinc/25/34/42/152253442.db2.gz CMEMDYVMPBXISU-DMDPSCGWSA-N 1 1 333.392 1.437 20 5 EDBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000360924841 152253443 /nfs/dbraw/zinc/25/34/43/152253443.db2.gz CMEMDYVMPBXISU-DMDPSCGWSA-N 1 1 333.392 1.437 20 5 EDBDMO COc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000364037727 153130224 /nfs/dbraw/zinc/13/02/24/153130224.db2.gz VSKHWWRPGBOTSA-ZFWWWQNUSA-N 1 1 349.387 1.275 20 5 EDBDMO NS(=O)(=O)c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000364085325 153141420 /nfs/dbraw/zinc/14/14/20/153141420.db2.gz HEFFONPSIGJVKG-MNOVXSKESA-N 1 1 340.405 1.281 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000364588108 153279477 /nfs/dbraw/zinc/27/94/77/153279477.db2.gz HHOGSRSQPFCVJV-LBPRGKRZSA-N 1 1 338.364 1.392 20 5 EDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(F)c2F)CC1 ZINC000364931790 153374412 /nfs/dbraw/zinc/37/44/12/153374412.db2.gz DIEKSWGJPJDLRM-SNVBAGLBSA-N 1 1 343.330 1.402 20 5 EDBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C2)c1 ZINC000367080625 154002619 /nfs/dbraw/zinc/00/26/19/154002619.db2.gz MPKRWQAAIYEHTO-QWHCGFSZSA-N 1 1 342.421 1.253 20 5 EDBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C2)c1 ZINC000367080625 154002620 /nfs/dbraw/zinc/00/26/20/154002620.db2.gz MPKRWQAAIYEHTO-QWHCGFSZSA-N 1 1 342.421 1.253 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000367142460 154020877 /nfs/dbraw/zinc/02/08/77/154020877.db2.gz WVDYBNTYLYVOHL-AWEZNQCLSA-N 1 1 348.403 1.233 20 5 EDBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000373896067 157052922 /nfs/dbraw/zinc/05/29/22/157052922.db2.gz PURRJQBEVUDBCZ-XQQFMLRXSA-N 1 1 332.360 1.252 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000374074492 157131375 /nfs/dbraw/zinc/13/13/75/157131375.db2.gz KXKNCAZKTNSLIG-LSDHHAIUSA-N 1 1 344.371 1.680 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000377481191 157937780 /nfs/dbraw/zinc/93/77/80/157937780.db2.gz HJXULWSRHOUQAI-NEPJUHHUSA-N 1 1 339.779 1.841 20 5 EDBDMO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN([C@H]3CCOC3)CC2)cc1 ZINC000378402764 158164265 /nfs/dbraw/zinc/16/42/65/158164265.db2.gz ZTKLNXBVFRJTBE-INIZCTEOSA-N 1 1 335.404 1.770 20 5 EDBDMO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665191 287255368 /nfs/dbraw/zinc/25/53/68/287255368.db2.gz IPLVDGSFLSHXJQ-STQMWFEESA-N 1 1 335.408 1.637 20 5 EDBDMO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665191 287255371 /nfs/dbraw/zinc/25/53/71/287255371.db2.gz IPLVDGSFLSHXJQ-STQMWFEESA-N 1 1 335.408 1.637 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1C ZINC000124018638 287393559 /nfs/dbraw/zinc/39/35/59/287393559.db2.gz SZWVUANVMMOJDJ-PHIMTYICSA-N 1 1 327.406 1.583 20 5 EDBDMO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000273623817 268067585 /nfs/dbraw/zinc/06/75/85/268067585.db2.gz RBBOBQHQIRMHDQ-MWLCHTKSSA-N 1 1 338.389 1.845 20 5 EDBDMO CN(C)C(=O)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274150875 268109865 /nfs/dbraw/zinc/10/98/65/268109865.db2.gz YGTDVFMSKGMOBJ-UHFFFAOYSA-N 1 1 346.391 1.071 20 5 EDBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000274829607 268216359 /nfs/dbraw/zinc/21/63/59/268216359.db2.gz QRXQLEXVUPTSTL-CABCVRRESA-N 1 1 346.387 1.068 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000275406547 268338041 /nfs/dbraw/zinc/33/80/41/268338041.db2.gz SMEALRJVQNMUCG-GFCCVEGCSA-N 1 1 343.387 1.850 20 5 EDBDMO CCOC(=O)[C@@](C)(O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000274160179 273073169 /nfs/dbraw/zinc/07/31/69/273073169.db2.gz FJVZHSXYOWUZBK-AWEZNQCLSA-N 1 1 330.768 1.994 20 5 EDBDMO CCOC(=O)[C@@](C)(O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000274160179 273073170 /nfs/dbraw/zinc/07/31/70/273073170.db2.gz FJVZHSXYOWUZBK-AWEZNQCLSA-N 1 1 330.768 1.994 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000284691748 274296404 /nfs/dbraw/zinc/29/64/04/274296404.db2.gz JBRUPRJMLUKQGB-JTQLQIEISA-N 1 1 342.783 1.779 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000264078200 276164556 /nfs/dbraw/zinc/16/45/56/276164556.db2.gz CVDBLISOETVRTC-UHFFFAOYSA-N 1 1 327.406 1.620 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000264078200 276164558 /nfs/dbraw/zinc/16/45/58/276164558.db2.gz CVDBLISOETVRTC-UHFFFAOYSA-N 1 1 327.406 1.620 20 5 EDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](C(N)=O)C1 ZINC000346921073 278313289 /nfs/dbraw/zinc/31/32/89/278313289.db2.gz JZFRTVSWBSNDQD-BYCMXARLSA-N 1 1 343.387 1.590 20 5 EDBDMO COCC[NH+]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000296619221 303327120 /nfs/dbraw/zinc/32/71/20/303327120.db2.gz UQGAMFLGZUQFJR-UHFFFAOYSA-N 1 1 346.387 1.920 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000428547044 305011435 /nfs/dbraw/zinc/01/14/35/305011435.db2.gz LJULKOLBOVTGCD-ZDUSSCGKSA-N 1 1 345.359 1.147 20 5 EDBDMO CNC(=O)[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430255774 305049116 /nfs/dbraw/zinc/04/91/16/305049116.db2.gz GSSZWWPRMBCTHZ-BZNIZROVSA-N 1 1 334.376 1.380 20 5 EDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000432166926 305088568 /nfs/dbraw/zinc/08/85/68/305088568.db2.gz NRQPNOAYBUIBFB-VXGBXAGGSA-N 1 1 344.375 1.683 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000446329086 305263186 /nfs/dbraw/zinc/26/31/86/305263186.db2.gz CVMQQMUEIOVJFT-CYBMUJFWSA-N 1 1 335.404 1.820 20 5 EDBDMO CNc1nc(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)ccc1[N+](=O)[O-] ZINC000456010194 305449789 /nfs/dbraw/zinc/44/97/89/305449789.db2.gz FKQKKHWAKBQKSX-JTQLQIEISA-N 1 1 330.348 1.220 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000537580738 306027761 /nfs/dbraw/zinc/02/77/61/306027761.db2.gz XERMZOKZFBVRMN-LBPRGKRZSA-N 1 1 335.360 1.304 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000537580738 306027762 /nfs/dbraw/zinc/02/77/62/306027762.db2.gz XERMZOKZFBVRMN-LBPRGKRZSA-N 1 1 335.360 1.304 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000538682312 306031928 /nfs/dbraw/zinc/03/19/28/306031928.db2.gz JAEVQVHUDVLMKV-CYBMUJFWSA-N 1 1 349.387 1.613 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000538682312 306031929 /nfs/dbraw/zinc/03/19/29/306031929.db2.gz JAEVQVHUDVLMKV-CYBMUJFWSA-N 1 1 349.387 1.613 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000542045824 306050937 /nfs/dbraw/zinc/05/09/37/306050937.db2.gz DAMMWHZIXMMCRX-NSHDSACASA-N 1 1 342.421 1.384 20 5 EDBDMO C[C@@H](c1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000548414157 306127507 /nfs/dbraw/zinc/12/75/07/306127507.db2.gz SOACXKKFYOKSCU-NSHDSACASA-N 1 1 345.359 1.963 20 5 EDBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)C1 ZINC000548413864 306127555 /nfs/dbraw/zinc/12/75/55/306127555.db2.gz IQJKUUNTJJNAHY-YPMHNXCESA-N 1 1 339.396 1.185 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000555242704 306200720 /nfs/dbraw/zinc/20/07/20/306200720.db2.gz WFPZSMASSVEVJC-LLVKDONJSA-N 1 1 342.421 1.033 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]1CCO ZINC000426237269 447403945 /nfs/dbraw/zinc/40/39/45/447403945.db2.gz LCHNVYNUTSWVRW-GFCCVEGCSA-N 1 1 335.360 1.740 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000046035118 441071042 /nfs/dbraw/zinc/07/10/42/441071042.db2.gz AEAORIFWSYLVIF-LBPRGKRZSA-N 1 1 341.433 1.913 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000013693544 441164436 /nfs/dbraw/zinc/16/44/36/441164436.db2.gz SCDLSVRKZYXHKQ-UHFFFAOYSA-N 1 1 329.360 1.220 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000061211612 441267706 /nfs/dbraw/zinc/26/77/06/441267706.db2.gz SLMMDRJSEVLQBK-UHFFFAOYSA-N 1 1 349.435 1.028 20 5 EDBDMO CNC(=O)NC(=O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000025022925 441327726 /nfs/dbraw/zinc/32/77/26/441327726.db2.gz GMBIXFYMDIMNQX-UHFFFAOYSA-N 1 1 328.756 1.526 20 5 EDBDMO CNC(=O)NC(=O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000025022925 441327731 /nfs/dbraw/zinc/32/77/31/441327731.db2.gz GMBIXFYMDIMNQX-UHFFFAOYSA-N 1 1 328.756 1.526 20 5 EDBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000110018393 441512223 /nfs/dbraw/zinc/51/22/23/441512223.db2.gz MYEONPXXVNJRBE-CMDGGOBGSA-N 1 1 346.431 1.704 20 5 EDBDMO Cc1nn(C)c(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089644293 441567244 /nfs/dbraw/zinc/56/72/44/441567244.db2.gz VDKXUUBSGMDQCU-CABCVRRESA-N 1 1 345.403 1.684 20 5 EDBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000112922856 441569486 /nfs/dbraw/zinc/56/94/86/441569486.db2.gz PLFVATAZXXFRDH-CQSZACIVSA-N 1 1 348.447 1.907 20 5 EDBDMO CN(C(=O)C[N@@H+]1CCC[C@H](C2OCCO2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000076294697 441623710 /nfs/dbraw/zinc/62/37/10/441623710.db2.gz FKJQEHFHUVYEFR-ZDUSSCGKSA-N 1 1 349.387 1.643 20 5 EDBDMO CN(C(=O)C[N@H+]1CCC[C@H](C2OCCO2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000076294697 441623712 /nfs/dbraw/zinc/62/37/12/441623712.db2.gz FKJQEHFHUVYEFR-ZDUSSCGKSA-N 1 1 349.387 1.643 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000076989292 441704949 /nfs/dbraw/zinc/70/49/49/441704949.db2.gz MYWNDBUQMSUWJZ-LLVKDONJSA-N 1 1 340.355 1.157 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000092765777 441826381 /nfs/dbraw/zinc/82/63/81/441826381.db2.gz XDQUKVBZIUYYRF-ZIAGYGMSSA-N 1 1 335.404 1.969 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000092765777 441826385 /nfs/dbraw/zinc/82/63/85/441826385.db2.gz XDQUKVBZIUYYRF-ZIAGYGMSSA-N 1 1 335.404 1.969 20 5 EDBDMO CCc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)cc1[N+](=O)[O-] ZINC000174191825 441900931 /nfs/dbraw/zinc/90/09/31/441900931.db2.gz HADWTLIABIIOKK-HNNXBMFYSA-N 1 1 335.404 1.998 20 5 EDBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000119984174 441987602 /nfs/dbraw/zinc/98/76/02/441987602.db2.gz MWXNQQYNCBZACE-CQSZACIVSA-N 1 1 348.403 1.866 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000175198775 442015867 /nfs/dbraw/zinc/01/58/67/442015867.db2.gz DHWHKMLGQHWZRF-UHFFFAOYSA-N 1 1 335.408 1.828 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000120331105 442050674 /nfs/dbraw/zinc/05/06/74/442050674.db2.gz DQKZLGBPLOEEOA-UHFFFAOYSA-N 1 1 347.824 1.883 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000120331105 442050677 /nfs/dbraw/zinc/05/06/77/442050677.db2.gz DQKZLGBPLOEEOA-UHFFFAOYSA-N 1 1 347.824 1.883 20 5 EDBDMO COC(=O)[C@@H](C)C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120751617 442126398 /nfs/dbraw/zinc/12/63/98/442126398.db2.gz YPLPZCMRCMGCFP-JTQLQIEISA-N 1 1 334.332 1.886 20 5 EDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120751617 442126401 /nfs/dbraw/zinc/12/64/01/442126401.db2.gz YPLPZCMRCMGCFP-JTQLQIEISA-N 1 1 334.332 1.886 20 5 EDBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000127394781 442199213 /nfs/dbraw/zinc/19/92/13/442199213.db2.gz UOFXELXGCJZIJM-GFCCVEGCSA-N 1 1 336.392 1.793 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000170709491 442251010 /nfs/dbraw/zinc/25/10/10/442251010.db2.gz OLGRWTVFZQXEPK-LLVKDONJSA-N 1 1 344.437 1.645 20 5 EDBDMO COC(=O)CN1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000121368708 442209075 /nfs/dbraw/zinc/20/90/75/442209075.db2.gz NGACLWSOOUHWCE-QPJJXVBHSA-N 1 1 333.388 1.789 20 5 EDBDMO COC(=O)CN1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000121368708 442209077 /nfs/dbraw/zinc/20/90/77/442209077.db2.gz NGACLWSOOUHWCE-QPJJXVBHSA-N 1 1 333.388 1.789 20 5 EDBDMO Cc1nn(CCC(=O)N2CCC[N@H+](C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000170683320 442248149 /nfs/dbraw/zinc/24/81/49/442248149.db2.gz UTXLXOIEJDVDQH-UHFFFAOYSA-N 1 1 335.408 1.495 20 5 EDBDMO Cn1ccnc1C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000153336705 442276529 /nfs/dbraw/zinc/27/65/29/442276529.db2.gz LOIYLCCLMXDTAR-UHFFFAOYSA-N 1 1 345.359 1.758 20 5 EDBDMO Cn1ccnc1C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000153336705 442276531 /nfs/dbraw/zinc/27/65/31/442276531.db2.gz LOIYLCCLMXDTAR-UHFFFAOYSA-N 1 1 345.359 1.758 20 5 EDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153757672 442300531 /nfs/dbraw/zinc/30/05/31/442300531.db2.gz GMAQGXZZQATOHO-UHFFFAOYSA-N 1 1 329.422 1.746 20 5 EDBDMO CC[C@@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000177134074 442302634 /nfs/dbraw/zinc/30/26/34/442302634.db2.gz MJISHNIQJUXCAK-CYBMUJFWSA-N 1 1 328.756 1.430 20 5 EDBDMO COC[C@](C)(CCO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177406500 442337858 /nfs/dbraw/zinc/33/78/58/442337858.db2.gz KDOHGLTVFYVOBU-HNNXBMFYSA-N 1 1 336.348 1.522 20 5 EDBDMO CNS(=O)(=O)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130732596 442354642 /nfs/dbraw/zinc/35/46/42/442354642.db2.gz OHYSLZWENJQQSK-UHFFFAOYSA-N 1 1 327.406 1.499 20 5 EDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131428219 442371772 /nfs/dbraw/zinc/37/17/72/442371772.db2.gz KWELKXHGNOOTDQ-MRXNPFEDSA-N 1 1 335.404 1.490 20 5 EDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131601184 442375577 /nfs/dbraw/zinc/37/55/77/442375577.db2.gz DANUVPBCAUTFEQ-KBOKABMXSA-N 1 1 347.415 1.961 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000133591407 442425431 /nfs/dbraw/zinc/42/54/31/442425431.db2.gz GCUNWXJZUSOPEO-AAEUAGOBSA-N 1 1 346.387 1.066 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173262901 442635313 /nfs/dbraw/zinc/63/53/13/442635313.db2.gz XTFOYJPXKBCGOP-AWEZNQCLSA-N 1 1 348.403 1.137 20 5 EDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180533904 442618998 /nfs/dbraw/zinc/61/89/98/442618998.db2.gz QKHJXIYRAYZGOQ-TXEJJXNPSA-N 1 1 335.408 1.670 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000173245921 442632971 /nfs/dbraw/zinc/63/29/71/442632971.db2.gz YQANAFIAMMEKBO-JSGCOSHPSA-N 1 1 341.433 1.864 20 5 EDBDMO COC(=O)c1ccc(OCCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000181312837 442689805 /nfs/dbraw/zinc/68/98/05/442689805.db2.gz YGKDDHUKLBNKDP-UHFFFAOYSA-N 1 1 337.376 1.398 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[N@H+]1C1CC1 ZINC000182350347 442759309 /nfs/dbraw/zinc/75/93/09/442759309.db2.gz TUPMCOGPHBCBIM-ONGXEEELSA-N 1 1 333.344 1.679 20 5 EDBDMO CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246881578 442819627 /nfs/dbraw/zinc/81/96/27/442819627.db2.gz RDILJSLMHLKRRI-GXTWGEPZSA-N 1 1 348.403 1.722 20 5 EDBDMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000246938009 442822900 /nfs/dbraw/zinc/82/29/00/442822900.db2.gz ALFWMKAYWDEWCF-HZSPNIEDSA-N 1 1 326.397 1.288 20 5 EDBDMO C[C@@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[N@@H+](C)C1CC1 ZINC000183010067 442864144 /nfs/dbraw/zinc/86/41/44/442864144.db2.gz VCKYWOHIARJGEE-MEDUHNTESA-N 1 1 346.387 1.687 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268169320 442882421 /nfs/dbraw/zinc/88/24/21/442882421.db2.gz PQAPTPUKMCJKOV-SMDDNHRTSA-N 1 1 339.417 1.664 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000265766949 442912566 /nfs/dbraw/zinc/91/25/66/442912566.db2.gz NHXRFFUHGDGHFG-UHFFFAOYSA-N 1 1 329.360 1.599 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000249004286 442944109 /nfs/dbraw/zinc/94/41/09/442944109.db2.gz ZFGIDCQOJUHPHZ-OLZOCXBDSA-N 1 1 339.392 1.295 20 5 EDBDMO COC(=O)[C@@]1(C)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000268340104 442954553 /nfs/dbraw/zinc/95/45/53/442954553.db2.gz KWCNKYGJBUXNKU-BBRMVZONSA-N 1 1 338.360 1.220 20 5 EDBDMO COC(=O)c1cc(NC[C@@H]2C[N@@H+](C)CCN2C)cc(C)c1[N+](=O)[O-] ZINC000268492270 443008334 /nfs/dbraw/zinc/00/83/34/443008334.db2.gz OURBHPAMATXEHI-CYBMUJFWSA-N 1 1 336.392 1.348 20 5 EDBDMO C[C@@H]1C[C@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266185343 443049098 /nfs/dbraw/zinc/04/90/98/443049098.db2.gz ALIKKKORRIQALP-VXGBXAGGSA-N 1 1 341.433 1.917 20 5 EDBDMO C[C@@H]1C[C@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266185343 443049100 /nfs/dbraw/zinc/04/91/00/443049100.db2.gz ALIKKKORRIQALP-VXGBXAGGSA-N 1 1 341.433 1.917 20 5 EDBDMO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000266165000 443041688 /nfs/dbraw/zinc/04/16/88/443041688.db2.gz OXJLDEIUDAORBF-UHFFFAOYSA-N 1 1 331.319 1.965 20 5 EDBDMO CC[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000255201390 443090008 /nfs/dbraw/zinc/09/00/08/443090008.db2.gz DTNFUONPSAGZAR-LRPNZCEASA-N 1 1 347.415 1.912 20 5 EDBDMO NC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000266272210 443082091 /nfs/dbraw/zinc/08/20/91/443082091.db2.gz ZPGDZVJQINAMOE-LLVKDONJSA-N 1 1 329.360 1.796 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000266389555 443113644 /nfs/dbraw/zinc/11/36/44/443113644.db2.gz CAWHEECVCLLLDN-INIZCTEOSA-N 1 1 334.351 1.956 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000268984041 443165951 /nfs/dbraw/zinc/16/59/51/443165951.db2.gz IMHZOIMXOSWSJB-UHFFFAOYSA-N 1 1 347.419 1.289 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000269095765 443195941 /nfs/dbraw/zinc/19/59/41/443195941.db2.gz NWKZZTYQBYIXHG-CABCVRRESA-N 1 1 345.403 1.623 20 5 EDBDMO C[C@H]1CC[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000190884265 443203771 /nfs/dbraw/zinc/20/37/71/443203771.db2.gz VORUTODDJVCFFD-XJKSGUPXSA-N 1 1 333.388 1.920 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCc1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000350658686 319059950 /nfs/dbraw/zinc/05/99/50/319059950.db2.gz NUMGFRIQYHDBAD-VXGBXAGGSA-N 1 1 348.363 1.261 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCc1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000350658686 319059951 /nfs/dbraw/zinc/05/99/51/319059951.db2.gz NUMGFRIQYHDBAD-VXGBXAGGSA-N 1 1 348.363 1.261 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000411586193 319186402 /nfs/dbraw/zinc/18/64/02/319186402.db2.gz NNPFQGXAJRZGRK-DOMZBBRYSA-N 1 1 346.387 1.313 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000264317186 443260469 /nfs/dbraw/zinc/26/04/69/443260469.db2.gz FTIDYCISEHFHRH-CYBMUJFWSA-N 1 1 338.364 1.032 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272487789 443336052 /nfs/dbraw/zinc/33/60/52/443336052.db2.gz SSRCOBDCVGQYDV-GDBMZVCRSA-N 1 1 332.404 1.873 20 5 EDBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCNC1=O ZINC000282485512 443353274 /nfs/dbraw/zinc/35/32/74/443353274.db2.gz VPXYZWYUYFKEAS-AWEZNQCLSA-N 1 1 334.376 1.442 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272566217 443366832 /nfs/dbraw/zinc/36/68/32/443366832.db2.gz FINFSJNNEFFXDI-QMTHXVAHSA-N 1 1 334.332 1.669 20 5 EDBDMO CN(C)C(=O)C[NH+]1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269626341 443369962 /nfs/dbraw/zinc/36/99/62/443369962.db2.gz JWYXKIUCKJPWJT-UHFFFAOYSA-N 1 1 342.346 1.838 20 5 EDBDMO COC(=O)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(OC)OC ZINC000272729471 443424913 /nfs/dbraw/zinc/42/49/13/443424913.db2.gz BSDNBISOFQHCEB-UHFFFAOYSA-N 1 1 340.376 1.621 20 5 EDBDMO C[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272741675 443428477 /nfs/dbraw/zinc/42/84/77/443428477.db2.gz CVVURTIWHVEYNE-VIFPVBQESA-N 1 1 347.400 1.980 20 5 EDBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000278781785 443436651 /nfs/dbraw/zinc/43/66/51/443436651.db2.gz LRBJUWPHNVCHBO-UHFFFAOYSA-N 1 1 337.380 1.564 20 5 EDBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000278781785 443436654 /nfs/dbraw/zinc/43/66/54/443436654.db2.gz LRBJUWPHNVCHBO-UHFFFAOYSA-N 1 1 337.380 1.564 20 5 EDBDMO COc1cc(C(=O)NCc2c[nH+]c(N(C)C)n2C)ccc1[N+](=O)[O-] ZINC000265135963 443545321 /nfs/dbraw/zinc/54/53/21/443545321.db2.gz TYPWQIFBAHKMPU-UHFFFAOYSA-N 1 1 333.348 1.333 20 5 EDBDMO C[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000279643548 443615284 /nfs/dbraw/zinc/61/52/84/443615284.db2.gz BARJNIDCCMJMCG-BBRMVZONSA-N 1 1 336.388 1.898 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000279643548 443615285 /nfs/dbraw/zinc/61/52/85/443615285.db2.gz BARJNIDCCMJMCG-BBRMVZONSA-N 1 1 336.388 1.898 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286184024 443664196 /nfs/dbraw/zinc/66/41/96/443664196.db2.gz VBWTZMCHIGZOFM-SMDDNHRTSA-N 1 1 329.360 1.568 20 5 EDBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000453961538 320273278 /nfs/dbraw/zinc/27/32/78/320273278.db2.gz GSTAYLCIYXFRCS-ZDUSSCGKSA-N 1 1 348.403 1.784 20 5 EDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000453961538 320273280 /nfs/dbraw/zinc/27/32/80/320273280.db2.gz GSTAYLCIYXFRCS-ZDUSSCGKSA-N 1 1 348.403 1.784 20 5 EDBDMO Cc1c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000454113645 320285425 /nfs/dbraw/zinc/28/54/25/320285425.db2.gz WGXIJRCCIACCDJ-CYBMUJFWSA-N 1 1 348.403 1.783 20 5 EDBDMO CNc1nc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000457003165 320316933 /nfs/dbraw/zinc/31/69/33/320316933.db2.gz XIJNPUSRGMQFAP-CQSZACIVSA-N 1 1 341.371 1.818 20 5 EDBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC1 ZINC000286249618 443676622 /nfs/dbraw/zinc/67/66/22/443676622.db2.gz ZLOKVGZTLXLDGF-OAHLLOKOSA-N 1 1 343.387 1.958 20 5 EDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286366631 443699586 /nfs/dbraw/zinc/69/95/86/443699586.db2.gz GBOLKAGIPUFEJC-UNPMEBSKSA-N 1 1 331.372 1.549 20 5 EDBDMO C[N@H+]1CC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000290957863 443720785 /nfs/dbraw/zinc/72/07/85/443720785.db2.gz NZSKPYGBSLUETJ-UONOGXRCSA-N 1 1 341.371 1.946 20 5 EDBDMO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CC)C(=O)OCC ZINC000276790342 443828579 /nfs/dbraw/zinc/82/85/79/443828579.db2.gz KFLRFPCKXNMSSF-KBPBESRZSA-N 1 1 342.396 1.206 20 5 EDBDMO CNC(=O)[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000281175288 443839235 /nfs/dbraw/zinc/83/92/35/443839235.db2.gz QMKKVRPIIMHUIT-BDJLRTHQSA-N 1 1 334.376 1.380 20 5 EDBDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000288461413 443888234 /nfs/dbraw/zinc/88/82/34/443888234.db2.gz SNLAPXNJTUEDOJ-LBPRGKRZSA-N 1 1 329.422 1.994 20 5 EDBDMO O=C1NCCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1Cc1ccccc1 ZINC000293020984 443904654 /nfs/dbraw/zinc/90/46/54/443904654.db2.gz QTBGPDNSPWPRPY-OAHLLOKOSA-N 1 1 343.387 1.225 20 5 EDBDMO O=C1NCCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1Cc1ccccc1 ZINC000293020984 443904655 /nfs/dbraw/zinc/90/46/55/443904655.db2.gz QTBGPDNSPWPRPY-OAHLLOKOSA-N 1 1 343.387 1.225 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000299346717 444024102 /nfs/dbraw/zinc/02/41/02/444024102.db2.gz VHPLOKAIUKHSNA-FRRDWIJNSA-N 1 1 336.392 1.637 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000299346717 444024105 /nfs/dbraw/zinc/02/41/05/444024105.db2.gz VHPLOKAIUKHSNA-FRRDWIJNSA-N 1 1 336.392 1.637 20 5 EDBDMO COc1ccc(CC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000563387430 321107554 /nfs/dbraw/zinc/10/75/54/321107554.db2.gz MMKGWMJFMQELGI-UHFFFAOYSA-N 1 1 345.359 1.218 20 5 EDBDMO C[C@@H]1C[C@@H](Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[N@H+]1C1CC1 ZINC000569058099 321316047 /nfs/dbraw/zinc/31/60/47/321316047.db2.gz DZNGMLIOBLTHSE-NXEZZACHSA-N 1 1 340.405 1.279 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000299695255 444118417 /nfs/dbraw/zinc/11/84/17/444118417.db2.gz OGOGJRLREJGXSY-UHFFFAOYSA-N 1 1 348.403 1.703 20 5 EDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)C1 ZINC000294260102 444107751 /nfs/dbraw/zinc/10/77/51/444107751.db2.gz TTXJXTPASDHTFW-INIZCTEOSA-N 1 1 336.367 1.874 20 5 EDBDMO O=c1nc([C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289437452 444143675 /nfs/dbraw/zinc/14/36/75/444143675.db2.gz OENBSQIKAWYWEE-LLVKDONJSA-N 1 1 333.348 1.265 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000289490349 444157500 /nfs/dbraw/zinc/15/75/00/444157500.db2.gz IZOAFGWSBNHFPU-GFCCVEGCSA-N 1 1 329.422 1.910 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000301258012 444158503 /nfs/dbraw/zinc/15/85/03/444158503.db2.gz ARDAYSRGLZUTMM-AAEUAGOBSA-N 1 1 343.391 1.685 20 5 EDBDMO CNC(=O)c1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301368038 444167594 /nfs/dbraw/zinc/16/75/94/444167594.db2.gz RQCUITDYIBUDJU-SOUVJXGZSA-N 1 1 344.415 1.875 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000299708712 444121770 /nfs/dbraw/zinc/12/17/70/444121770.db2.gz PYRXPUSWYRZCBZ-TZMCWYRMSA-N 1 1 348.403 1.783 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000289840176 444210012 /nfs/dbraw/zinc/21/00/12/444210012.db2.gz PQAIDAYPQFAFJZ-AWEZNQCLSA-N 1 1 335.408 1.525 20 5 EDBDMO Cc1c(CO)cc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000302826844 444226174 /nfs/dbraw/zinc/22/61/74/444226174.db2.gz AYLGSFPGGRAHJZ-TXEJJXNPSA-N 1 1 336.348 1.302 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000297721551 444323938 /nfs/dbraw/zinc/32/39/38/444323938.db2.gz BWPNHTNQHKNSIL-UHFFFAOYSA-N 1 1 348.403 1.703 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000290594890 444299615 /nfs/dbraw/zinc/29/96/15/444299615.db2.gz DHHHWBOQVONPEG-SNVBAGLBSA-N 1 1 330.410 1.383 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[N@@H+](C)CC1 ZINC000298108077 444418318 /nfs/dbraw/zinc/41/83/18/444418318.db2.gz OSSDRSJUQOTZQO-UHFFFAOYSA-N 1 1 336.392 1.570 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCN(C)CC1 ZINC000298108077 444418322 /nfs/dbraw/zinc/41/83/22/444418322.db2.gz OSSDRSJUQOTZQO-UHFFFAOYSA-N 1 1 336.392 1.570 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCN(C)CC1 ZINC000298108077 444418325 /nfs/dbraw/zinc/41/83/25/444418325.db2.gz OSSDRSJUQOTZQO-UHFFFAOYSA-N 1 1 336.392 1.570 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000580217582 322025743 /nfs/dbraw/zinc/02/57/43/322025743.db2.gz QBNRIHZWXILSEW-SWLSCSKDSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+]1CCN(C)CC1 ZINC000342124783 444520999 /nfs/dbraw/zinc/52/09/99/444520999.db2.gz VOFVLALXTLPDAM-JTQLQIEISA-N 1 1 336.421 1.647 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000343694039 444524990 /nfs/dbraw/zinc/52/49/90/444524990.db2.gz CBQRSAXBTYJRON-QLFBSQMISA-N 1 1 337.420 1.749 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000342181321 444551173 /nfs/dbraw/zinc/55/11/73/444551173.db2.gz QKNYPXVECWKTSS-NSHDSACASA-N 1 1 327.406 1.726 20 5 EDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338357284 444652633 /nfs/dbraw/zinc/65/26/33/444652633.db2.gz YOPMPHJIVXTWLF-AWEZNQCLSA-N 1 1 341.433 1.351 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344021529 444732546 /nfs/dbraw/zinc/73/25/46/444732546.db2.gz HAXNZEMTQBBLOO-GKSGUAPZSA-N 1 1 349.387 1.633 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344021529 444732553 /nfs/dbraw/zinc/73/25/53/444732553.db2.gz HAXNZEMTQBBLOO-GKSGUAPZSA-N 1 1 349.387 1.633 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCOCCO)C(C)C ZINC000338585619 444756804 /nfs/dbraw/zinc/75/68/04/444756804.db2.gz SUZXZMANJPHMRU-UHFFFAOYSA-N 1 1 339.392 1.561 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCOCCO)C(C)C ZINC000338585619 444756809 /nfs/dbraw/zinc/75/68/09/444756809.db2.gz SUZXZMANJPHMRU-UHFFFAOYSA-N 1 1 339.392 1.561 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000344068736 444763371 /nfs/dbraw/zinc/76/33/71/444763371.db2.gz MLJIHLSSKMTUMB-NWDGAFQWSA-N 1 1 327.406 1.664 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000344068736 444763376 /nfs/dbraw/zinc/76/33/76/444763376.db2.gz MLJIHLSSKMTUMB-NWDGAFQWSA-N 1 1 327.406 1.664 20 5 EDBDMO O=C(CC[N@@H+]1CCN2C(=O)CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337321566 445033480 /nfs/dbraw/zinc/03/34/80/445033480.db2.gz QIRZRLUPKOTQOI-LBPRGKRZSA-N 1 1 332.360 1.230 20 5 EDBDMO O=C(CC[N@H+]1CCN2C(=O)CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337321566 445033485 /nfs/dbraw/zinc/03/34/85/445033485.db2.gz QIRZRLUPKOTQOI-LBPRGKRZSA-N 1 1 332.360 1.230 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000339039500 445001713 /nfs/dbraw/zinc/00/17/13/445001713.db2.gz JFIBPBGILQLXKI-NSHDSACASA-N 1 1 325.390 1.418 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000339039500 445001718 /nfs/dbraw/zinc/00/17/18/445001718.db2.gz JFIBPBGILQLXKI-NSHDSACASA-N 1 1 325.390 1.418 20 5 EDBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)NCCF ZINC000337267690 445009899 /nfs/dbraw/zinc/00/98/99/445009899.db2.gz WRPHQDLXFGHAER-MRVPVSSYSA-N 1 1 335.282 1.760 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1C[C@@H](OC)C[N@@H+]1C ZINC000344500478 445014859 /nfs/dbraw/zinc/01/48/59/445014859.db2.gz SRMZVCBDMIBMNJ-QWHCGFSZSA-N 1 1 337.376 1.395 20 5 EDBDMO CO[C@H]1C[C@H](CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000344502662 445017820 /nfs/dbraw/zinc/01/78/20/445017820.db2.gz VPUYPXHGKGYORC-KGLIPLIRSA-N 1 1 325.340 1.525 20 5 EDBDMO COCCN1C(=O)N[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000344614822 445087618 /nfs/dbraw/zinc/08/76/18/445087618.db2.gz GMYVVMBKIWICQO-GJZGRUSLSA-N 1 1 334.376 1.209 20 5 EDBDMO COCCN1C(=O)N[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000344614822 445087622 /nfs/dbraw/zinc/08/76/22/445087622.db2.gz GMYVVMBKIWICQO-GJZGRUSLSA-N 1 1 334.376 1.209 20 5 EDBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337456273 445089082 /nfs/dbraw/zinc/08/90/82/445089082.db2.gz HYSFAUSPBRFKSX-JSGCOSHPSA-N 1 1 337.376 1.395 20 5 EDBDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000337501768 445107964 /nfs/dbraw/zinc/10/79/64/445107964.db2.gz WGCBGUISEPMIEV-UHFFFAOYSA-N 1 1 349.391 1.235 20 5 EDBDMO C[C@H]1[C@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCC[N@H+]1C ZINC000343561597 445244500 /nfs/dbraw/zinc/24/45/00/445244500.db2.gz QHIJLJZDTIKIFY-CMPLNLGQSA-N 1 1 348.359 1.102 20 5 EDBDMO CN(C)c1cc[nH+]cc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354520663 445277091 /nfs/dbraw/zinc/27/70/91/445277091.db2.gz LGAOGBZCOFDQAZ-UHFFFAOYSA-N 1 1 326.316 2.184 20 5 EDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000348168085 445299723 /nfs/dbraw/zinc/29/97/23/445299723.db2.gz LJOZDEINXKAYFR-GFCCVEGCSA-N 1 1 333.392 1.257 20 5 EDBDMO NC(=O)c1cc([C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000360013465 445527942 /nfs/dbraw/zinc/52/79/42/445527942.db2.gz APGRLQHRGVDCEL-JTQLQIEISA-N 1 1 347.350 1.936 20 5 EDBDMO NC(=O)c1cc([C@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000360013465 445527948 /nfs/dbraw/zinc/52/79/48/445527948.db2.gz APGRLQHRGVDCEL-JTQLQIEISA-N 1 1 347.350 1.936 20 5 EDBDMO COc1c(C(=O)N[C@H](C)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000355997824 445564295 /nfs/dbraw/zinc/56/42/95/445564295.db2.gz JTISFTXFZVSFIM-GFCCVEGCSA-N 1 1 337.376 1.444 20 5 EDBDMO Cc1c(CC(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356089197 445613375 /nfs/dbraw/zinc/61/33/75/445613375.db2.gz UGJPYSLMXOFVTG-XJKSGUPXSA-N 1 1 335.404 1.359 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000349674203 445643474 /nfs/dbraw/zinc/64/34/74/445643474.db2.gz YEULZSLFXVCQFP-OAHLLOKOSA-N 1 1 348.403 1.982 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000356209609 445677528 /nfs/dbraw/zinc/67/75/28/445677528.db2.gz DDTIKKFHRODRST-QGZVFWFLSA-N 1 1 349.435 1.743 20 5 EDBDMO CNC(=O)C(C)(C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353618572 445678749 /nfs/dbraw/zinc/67/87/49/445678749.db2.gz GRGXCGJKRHVOIW-AWEZNQCLSA-N 1 1 345.403 1.780 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000363105222 445680044 /nfs/dbraw/zinc/68/00/44/445680044.db2.gz ULSHIOZNUBBIKR-NWDGAFQWSA-N 1 1 345.359 1.064 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363154567 445699566 /nfs/dbraw/zinc/69/95/66/445699566.db2.gz SWHBRGMNXFLMQO-OLZOCXBDSA-N 1 1 335.360 1.196 20 5 EDBDMO COC(=O)COc1ccc(C[NH2+]C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000353790655 445757851 /nfs/dbraw/zinc/75/78/51/445757851.db2.gz QDTKFWYHMPYZBQ-UHFFFAOYSA-N 1 1 337.376 1.330 20 5 EDBDMO COc1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000363414086 445794609 /nfs/dbraw/zinc/79/46/09/445794609.db2.gz JYECDZTVLGXQFI-RAIGVLPGSA-N 1 1 349.387 1.711 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363660913 445865521 /nfs/dbraw/zinc/86/55/21/445865521.db2.gz OWLDCTZVFPWBFC-INIZCTEOSA-N 1 1 346.431 1.755 20 5 EDBDMO Cc1cc(N2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000364381098 445916052 /nfs/dbraw/zinc/91/60/52/445916052.db2.gz IXYPNGSMEJCGIU-AWEZNQCLSA-N 1 1 333.436 1.903 20 5 EDBDMO Cc1cc(N2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000364381098 445916061 /nfs/dbraw/zinc/91/60/61/445916061.db2.gz IXYPNGSMEJCGIU-AWEZNQCLSA-N 1 1 333.436 1.903 20 5 EDBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000373017181 445978617 /nfs/dbraw/zinc/97/86/17/445978617.db2.gz ZHLXSGUXZBONNB-UHFFFAOYSA-N 1 1 335.389 1.789 20 5 EDBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000369282349 446046362 /nfs/dbraw/zinc/04/63/62/446046362.db2.gz GPTJTRQJQLDUFE-ZIAGYGMSSA-N 1 1 334.380 1.113 20 5 EDBDMO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000359223393 446054011 /nfs/dbraw/zinc/05/40/11/446054011.db2.gz ICQIHEODZRGMLO-GFCCVEGCSA-N 1 1 345.359 1.791 20 5 EDBDMO COC(=O)c1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000359223393 446054016 /nfs/dbraw/zinc/05/40/16/446054016.db2.gz ICQIHEODZRGMLO-GFCCVEGCSA-N 1 1 345.359 1.791 20 5 EDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000356854463 446072811 /nfs/dbraw/zinc/07/28/11/446072811.db2.gz PHIVFXFBIGSONE-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000356854463 446072816 /nfs/dbraw/zinc/07/28/16/446072816.db2.gz PHIVFXFBIGSONE-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000356855541 446073225 /nfs/dbraw/zinc/07/32/25/446073225.db2.gz QDSVIIHEZLJKCG-OLZOCXBDSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000356855541 446073234 /nfs/dbraw/zinc/07/32/34/446073234.db2.gz QDSVIIHEZLJKCG-OLZOCXBDSA-N 1 1 343.387 1.945 20 5 EDBDMO CCOc1cc(C[NH+]2CCC(S(N)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000365194704 446074469 /nfs/dbraw/zinc/07/44/69/446074469.db2.gz YMISPLFBNUFRJU-UHFFFAOYSA-N 1 1 343.405 1.246 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000354279259 446076281 /nfs/dbraw/zinc/07/62/81/446076281.db2.gz BLVDRRNFJFKGPF-LBPRGKRZSA-N 1 1 339.417 1.727 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000354279259 446076285 /nfs/dbraw/zinc/07/62/85/446076285.db2.gz BLVDRRNFJFKGPF-LBPRGKRZSA-N 1 1 339.417 1.727 20 5 EDBDMO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351490401 446092827 /nfs/dbraw/zinc/09/28/27/446092827.db2.gz DUUARRNAVZVDPL-UHFFFAOYSA-N 1 1 340.355 1.521 20 5 EDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000369351814 446094351 /nfs/dbraw/zinc/09/43/51/446094351.db2.gz GFPMMWHQQBSJPD-SFDCACGMSA-N 1 1 339.417 1.624 20 5 EDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000369351814 446094357 /nfs/dbraw/zinc/09/43/57/446094357.db2.gz GFPMMWHQQBSJPD-SFDCACGMSA-N 1 1 339.417 1.624 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000362075654 446196860 /nfs/dbraw/zinc/19/68/60/446196860.db2.gz JDFCGFHMWDVUHV-NWDGAFQWSA-N 1 1 337.376 1.492 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000370372891 446251583 /nfs/dbraw/zinc/25/15/83/446251583.db2.gz FTWROJNSXDNLGK-QGZVFWFLSA-N 1 1 346.431 1.690 20 5 EDBDMO CN1CCC[C@@]2(CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1=O ZINC000370402803 446263095 /nfs/dbraw/zinc/26/30/95/446263095.db2.gz BTIHAJUFPHEMMT-KRWDZBQOSA-N 1 1 346.387 1.138 20 5 EDBDMO Cc1cc(N2CCC[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)nc(C)[nH+]1 ZINC000366655122 446296196 /nfs/dbraw/zinc/29/61/96/446296196.db2.gz CLQKOPJSWBQFER-GFCCVEGCSA-N 1 1 345.359 1.993 20 5 EDBDMO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cn(C)nn1 ZINC000359631499 446328808 /nfs/dbraw/zinc/32/88/08/446328808.db2.gz CINAFCMTPZLRSN-UHFFFAOYSA-N 1 1 332.364 1.574 20 5 EDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cn(C)nn1 ZINC000359631499 446328811 /nfs/dbraw/zinc/32/88/11/446328811.db2.gz CINAFCMTPZLRSN-UHFFFAOYSA-N 1 1 332.364 1.574 20 5 EDBDMO O=C(c1cccc([N+](=O)[O-])c1F)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000370577017 446339331 /nfs/dbraw/zinc/33/93/31/446339331.db2.gz XWZDBJQOURVNAR-LBPRGKRZSA-N 1 1 337.351 1.528 20 5 EDBDMO O=C(NC1CC1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000365827050 446359815 /nfs/dbraw/zinc/35/98/15/446359815.db2.gz RNTWUKOPLULVGH-UHFFFAOYSA-N 1 1 348.359 1.994 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@](O)(C4CC4)C3)n2)cc1 ZINC000365851278 446370297 /nfs/dbraw/zinc/37/02/97/446370297.db2.gz VCQMGCJFCIWRIV-INIZCTEOSA-N 1 1 330.344 1.992 20 5 EDBDMO CNC(=O)C[N@@H+]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000365898513 446394376 /nfs/dbraw/zinc/39/43/76/446394376.db2.gz ZYTLQWNKNGRYNC-UHFFFAOYSA-N 1 1 343.387 1.401 20 5 EDBDMO CNC(=O)C[N@H+]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000365898513 446394382 /nfs/dbraw/zinc/39/43/82/446394382.db2.gz ZYTLQWNKNGRYNC-UHFFFAOYSA-N 1 1 343.387 1.401 20 5 EDBDMO CN1CC[NH+](C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCO2)CC1 ZINC000370786870 446441084 /nfs/dbraw/zinc/44/10/84/446441084.db2.gz FAGINYYLNUYVLB-KRWDZBQOSA-N 1 1 334.420 1.043 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000411401346 446521705 /nfs/dbraw/zinc/52/17/05/446521705.db2.gz XCWRWUIVXHGRPM-CYBMUJFWSA-N 1 1 348.403 1.703 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375041453 446535357 /nfs/dbraw/zinc/53/53/57/446535357.db2.gz QJNBUUVVAWARIF-XJKSGUPXSA-N 1 1 332.404 1.949 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CCn3c(C)c(C)nc3C2)c1[N+](=O)[O-] ZINC000370961857 446543425 /nfs/dbraw/zinc/54/34/25/446543425.db2.gz LPGYTEWIBGSKKR-UHFFFAOYSA-N 1 1 332.364 1.740 20 5 EDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000423611010 446604357 /nfs/dbraw/zinc/60/43/57/446604357.db2.gz MKZUBAFAYGHKML-NSHDSACASA-N 1 1 335.751 1.758 20 5 EDBDMO CCN1CCC([N@@H+]2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000420622552 446708140 /nfs/dbraw/zinc/70/81/40/446708140.db2.gz GASXPBNBDWJNGW-UHFFFAOYSA-N 1 1 333.436 1.986 20 5 EDBDMO CCN1CCC([N@H+]2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000420622552 446708147 /nfs/dbraw/zinc/70/81/47/446708147.db2.gz GASXPBNBDWJNGW-UHFFFAOYSA-N 1 1 333.436 1.986 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371283804 446740604 /nfs/dbraw/zinc/74/06/04/446740604.db2.gz LVEXRKFAKIBRMD-KBMXLJTQSA-N 1 1 332.404 1.173 20 5 EDBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@H](O)COc3ccccc3)C2)c1 ZINC000375389431 446765275 /nfs/dbraw/zinc/76/52/75/446765275.db2.gz GKTZAUQHJGWDKD-HOCLYGCPSA-N 1 1 346.387 1.868 20 5 EDBDMO O=C(NCC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000371503072 446896078 /nfs/dbraw/zinc/89/60/78/446896078.db2.gz ZALDPQNWQAWELF-IRXDYDNUSA-N 1 1 331.416 1.723 20 5 EDBDMO C[C@H]1C[C@H](CO)C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000420948026 446920803 /nfs/dbraw/zinc/92/08/03/446920803.db2.gz ULZHOSBJUHOALF-STQMWFEESA-N 1 1 349.387 1.843 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421007435 446981325 /nfs/dbraw/zinc/98/13/25/446981325.db2.gz HLPOESVCTTUYAN-AAEUAGOBSA-N 1 1 337.376 1.777 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2Cn2cccn2)c([N+](=O)[O-])c1 ZINC000368688150 447038866 /nfs/dbraw/zinc/03/88/66/447038866.db2.gz HSUXNAMTUGSPFS-HNNXBMFYSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(n2cncn2)CC1 ZINC000377473314 447148286 /nfs/dbraw/zinc/14/82/86/447148286.db2.gz DGNDARFYFAWBIF-GFCCVEGCSA-N 1 1 344.375 1.850 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3ncsc3C2)c1 ZINC000445853068 447197660 /nfs/dbraw/zinc/19/76/60/447197660.db2.gz BWKJQSSFEBGMLT-LBPRGKRZSA-N 1 1 335.385 1.849 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3ncsc3C2)c1 ZINC000445853068 447197667 /nfs/dbraw/zinc/19/76/67/447197667.db2.gz BWKJQSSFEBGMLT-LBPRGKRZSA-N 1 1 335.385 1.849 20 5 EDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000421705169 447225058 /nfs/dbraw/zinc/22/50/58/447225058.db2.gz QRQQNIWEOGEQQV-HNNXBMFYSA-N 1 1 343.387 1.947 20 5 EDBDMO CC(C)(O)C[N@H+]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000368962606 447228357 /nfs/dbraw/zinc/22/83/57/447228357.db2.gz BGFYGVQMMIQYSH-UHFFFAOYSA-N 1 1 334.420 1.846 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000421892689 447269978 /nfs/dbraw/zinc/26/99/78/447269978.db2.gz NUXPUMOZEAMPEL-OKILXGFUSA-N 1 1 335.404 1.739 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000421892689 447269985 /nfs/dbraw/zinc/26/99/85/447269985.db2.gz NUXPUMOZEAMPEL-OKILXGFUSA-N 1 1 335.404 1.739 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000450951241 447631448 /nfs/dbraw/zinc/63/14/48/447631448.db2.gz FQEBGHURTRHRLY-LLVKDONJSA-N 1 1 333.348 1.148 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000450951241 447631453 /nfs/dbraw/zinc/63/14/53/447631453.db2.gz FQEBGHURTRHRLY-LLVKDONJSA-N 1 1 333.348 1.148 20 5 EDBDMO C[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000451081371 447673045 /nfs/dbraw/zinc/67/30/45/447673045.db2.gz KREWHLSQUXREFN-WMLDXEAASA-N 1 1 349.431 1.751 20 5 EDBDMO C[C@@H]1CN(C2CC2)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000451081371 447673050 /nfs/dbraw/zinc/67/30/50/447673050.db2.gz KREWHLSQUXREFN-WMLDXEAASA-N 1 1 349.431 1.751 20 5 EDBDMO C[C@@H]1CN(C2CC2)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000451081371 447673055 /nfs/dbraw/zinc/67/30/55/447673055.db2.gz KREWHLSQUXREFN-WMLDXEAASA-N 1 1 349.431 1.751 20 5 EDBDMO CC1(C)CCC[N@H+]1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000452079591 447811811 /nfs/dbraw/zinc/81/18/11/447811811.db2.gz ADVZUNGTSSFGSS-UHFFFAOYSA-N 1 1 327.406 1.748 20 5 EDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488723999 447849742 /nfs/dbraw/zinc/84/97/42/447849742.db2.gz BMPSQMWDDUYKJS-LALPHHSUSA-N 1 1 332.404 1.860 20 5 EDBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000525291533 447988463 /nfs/dbraw/zinc/98/84/63/447988463.db2.gz IIWAYDMXHDBRHK-NSHDSACASA-N 1 1 337.376 1.684 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000576713409 448122676 /nfs/dbraw/zinc/12/26/76/448122676.db2.gz DTQLYECKXARNES-LBPRGKRZSA-N 1 1 349.387 1.921 20 5 EDBDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000576839547 448152727 /nfs/dbraw/zinc/15/27/27/448152727.db2.gz LRZQKZDDXTVFCY-LLVKDONJSA-N 1 1 334.376 1.300 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531821407 448153942 /nfs/dbraw/zinc/15/39/42/448153942.db2.gz KHUOTFVGOZEXPP-QMTHXVAHSA-N 1 1 347.371 1.579 20 5 EDBDMO CNc1nccc(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000561182075 448233026 /nfs/dbraw/zinc/23/30/26/448233026.db2.gz HGQHYNRSGDTVQW-XQQFMLRXSA-N 1 1 349.435 2.128 20 5 EDBDMO COc1ccc(CC(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000571874026 448223003 /nfs/dbraw/zinc/22/30/03/448223003.db2.gz PFGCWJJCDRGBLC-NSHDSACASA-N 1 1 329.303 1.211 20 5 EDBDMO COc1ccc(CC(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000582784745 448338507 /nfs/dbraw/zinc/33/85/07/448338507.db2.gz FZDGSNLMEWUPIV-HNNXBMFYSA-N 1 1 325.340 1.306 20 5 EDBDMO COCC[C@@]1([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000516708525 448464179 /nfs/dbraw/zinc/46/41/79/448464179.db2.gz NEMYQNXBLWPNAQ-MRXNPFEDSA-N 1 1 348.359 1.930 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000591735092 448476291 /nfs/dbraw/zinc/47/62/91/448476291.db2.gz RLTNSIAKWCXBBE-CABCVRRESA-N 1 1 335.404 1.408 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000591735092 448476296 /nfs/dbraw/zinc/47/62/96/448476296.db2.gz RLTNSIAKWCXBBE-CABCVRRESA-N 1 1 335.404 1.408 20 5 EDBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000584395256 448508074 /nfs/dbraw/zinc/50/80/74/448508074.db2.gz TUCPBLJAWGMLOQ-UHFFFAOYSA-N 1 1 335.360 1.928 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000573385257 448614023 /nfs/dbraw/zinc/61/40/23/448614023.db2.gz SQGYLKADNIRZGS-YPMHNXCESA-N 1 1 335.408 1.834 20 5 EDBDMO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)N1CCC1 ZINC000592130704 448700689 /nfs/dbraw/zinc/70/06/89/448700689.db2.gz JQFHICUNIOIDRE-WKILWMFISA-N 1 1 347.415 1.933 20 5 EDBDMO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)N1CCC1 ZINC000592130704 448700693 /nfs/dbraw/zinc/70/06/93/448700693.db2.gz JQFHICUNIOIDRE-WKILWMFISA-N 1 1 347.415 1.933 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000579080686 448707631 /nfs/dbraw/zinc/70/76/31/448707631.db2.gz GHYQMFFWDROIRJ-KCJUWKMLSA-N 1 1 327.182 1.893 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000579080686 448707638 /nfs/dbraw/zinc/70/76/38/448707638.db2.gz GHYQMFFWDROIRJ-KCJUWKMLSA-N 1 1 327.182 1.893 20 5 EDBDMO CC(C)(C)[NH+]1CCC(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000579703616 448856756 /nfs/dbraw/zinc/85/67/56/448856756.db2.gz PBYMZIDYVTUYRJ-CQSZACIVSA-N 1 1 325.413 1.005 20 5 EDBDMO CC(C)(C)N1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000579703616 448856759 /nfs/dbraw/zinc/85/67/59/448856759.db2.gz PBYMZIDYVTUYRJ-CQSZACIVSA-N 1 1 325.413 1.005 20 5 EDBDMO C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@H+](C2CCC2)C1 ZINC000589877325 449071585 /nfs/dbraw/zinc/07/15/85/449071585.db2.gz SNKSDUVRCLAMKS-GFCCVEGCSA-N 1 1 334.420 1.980 20 5 EDBDMO Cc1nn(CCC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000597858177 449126373 /nfs/dbraw/zinc/12/63/73/449126373.db2.gz LKPOSSHLZZNWCW-ZDUSSCGKSA-N 1 1 337.424 1.787 20 5 EDBDMO COC(=O)COc1ccc(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590052458 449100484 /nfs/dbraw/zinc/10/04/84/449100484.db2.gz CEYNCZOROVQLPJ-HIFRSBDPSA-N 1 1 349.387 1.283 20 5 EDBDMO C[N@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593605692 449103416 /nfs/dbraw/zinc/10/34/16/449103416.db2.gz JOUXDDGGJCZYDS-NSHDSACASA-N 1 1 328.394 1.000 20 5 EDBDMO C[C@H]1COC2(CCC2)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595675573 449113813 /nfs/dbraw/zinc/11/38/13/449113813.db2.gz OZSXDNKDXFPFJT-DZGCQCFKSA-N 1 1 336.388 1.978 20 5 EDBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000593067349 449121275 /nfs/dbraw/zinc/12/12/75/449121275.db2.gz JITYHPZIEZKPMT-OAHLLOKOSA-N 1 1 333.388 1.985 20 5 EDBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000593067349 449121280 /nfs/dbraw/zinc/12/12/80/449121280.db2.gz JITYHPZIEZKPMT-OAHLLOKOSA-N 1 1 333.388 1.985 20 5 EDBDMO COc1cc(OCC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590440825 449163043 /nfs/dbraw/zinc/16/30/43/449163043.db2.gz CCUCNADQXPYDIZ-SMDDNHRTSA-N 1 1 335.360 1.145 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590446453 449168003 /nfs/dbraw/zinc/16/80/03/449168003.db2.gz TZJDZZMEVKLMLZ-CZUORRHYSA-N 1 1 332.404 1.949 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000590399613 449147707 /nfs/dbraw/zinc/14/77/07/449147707.db2.gz KYLYWUNCRZSOAO-HUUCEWRRSA-N 1 1 337.351 1.669 20 5 EDBDMO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604278184 449201028 /nfs/dbraw/zinc/20/10/28/449201028.db2.gz OEHVBNWLTNIWMV-SECBINFHSA-N 1 1 333.797 1.621 20 5 EDBDMO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604278184 449201032 /nfs/dbraw/zinc/20/10/32/449201032.db2.gz OEHVBNWLTNIWMV-SECBINFHSA-N 1 1 333.797 1.621 20 5 EDBDMO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])C2)c1 ZINC000601851638 449183923 /nfs/dbraw/zinc/18/39/23/449183923.db2.gz UZHCQSKOYQFLRD-CQSZACIVSA-N 1 1 343.387 1.641 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595826976 449190667 /nfs/dbraw/zinc/19/06/67/449190667.db2.gz BOHXKEODRKYKHV-QWHCGFSZSA-N 1 1 349.387 1.900 20 5 EDBDMO C[N@@H+]1CCC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000611232103 449228816 /nfs/dbraw/zinc/22/88/16/449228816.db2.gz GRDAVQGJHQVXGS-ZDUSSCGKSA-N 1 1 327.406 1.151 20 5 EDBDMO C[N@H+]1CCC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000611232103 449228826 /nfs/dbraw/zinc/22/88/26/449228826.db2.gz GRDAVQGJHQVXGS-ZDUSSCGKSA-N 1 1 327.406 1.151 20 5 EDBDMO COc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(F)cc1[N+](=O)[O-] ZINC000611255942 449240765 /nfs/dbraw/zinc/24/07/65/449240765.db2.gz CCMPJARQEALFBC-SWLSCSKDSA-N 1 1 339.367 1.778 20 5 EDBDMO COC(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000600309574 449313529 /nfs/dbraw/zinc/31/35/29/449313529.db2.gz CBEGRLCZSNGICI-LBPRGKRZSA-N 1 1 349.387 1.843 20 5 EDBDMO C[NH+]1CCN(CCCCNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596075544 449350976 /nfs/dbraw/zinc/35/09/76/449350976.db2.gz GUZSKQMZJGDMEL-UHFFFAOYSA-N 1 1 327.816 1.505 20 5 EDBDMO O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602124360 449364169 /nfs/dbraw/zinc/36/41/69/449364169.db2.gz NGNCUKLECSBLHB-DLBZAZTESA-N 1 1 345.399 1.949 20 5 EDBDMO COc1cc(N2CCC[N@@H+](CCO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596113164 449368187 /nfs/dbraw/zinc/36/81/87/449368187.db2.gz OMBAKSSIPFONDF-UHFFFAOYSA-N 1 1 329.784 1.761 20 5 EDBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000611711431 449390321 /nfs/dbraw/zinc/39/03/21/449390321.db2.gz MUDSGEPYIBJIHS-ZDUSSCGKSA-N 1 1 329.360 1.449 20 5 EDBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ncnc1N1CCOCC1 ZINC000598588817 449478952 /nfs/dbraw/zinc/47/89/52/449478952.db2.gz CQIUHFNBJBMJLI-CHWSQXEVSA-N 1 1 348.407 1.260 20 5 EDBDMO COC(=O)c1ccnc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000598602179 449487243 /nfs/dbraw/zinc/48/72/43/449487243.db2.gz LJEBMCCSSQEBIU-ZDUSSCGKSA-N 1 1 348.403 1.945 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000596539241 449545588 /nfs/dbraw/zinc/54/55/88/449545588.db2.gz NIYHAYNPKDXUEH-AWEZNQCLSA-N 1 1 349.387 1.417 20 5 EDBDMO [NH3+]Cc1cc(=O)[n-]c(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000596655292 449589818 /nfs/dbraw/zinc/58/98/18/449589818.db2.gz UJOLMHAAURWFNI-CQSZACIVSA-N 1 1 343.387 1.660 20 5 EDBDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)C1 ZINC000602443960 449592106 /nfs/dbraw/zinc/59/21/06/449592106.db2.gz CNMAMUYURSMNQJ-CYBMUJFWSA-N 1 1 349.435 1.799 20 5 EDBDMO CC[NH+]1CCN([C@@H](C)CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602513288 449642444 /nfs/dbraw/zinc/64/24/44/449642444.db2.gz BOSJAWBVXJNWSB-ZDUSSCGKSA-N 1 1 347.419 1.852 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000594790163 449699145 /nfs/dbraw/zinc/69/91/45/449699145.db2.gz SQSRHBQNHPPWJE-CQSZACIVSA-N 1 1 341.433 1.887 20 5 EDBDMO CCOC(=O)c1ccnc(N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000601184376 449739222 /nfs/dbraw/zinc/73/92/22/449739222.db2.gz LRCNSQZNCGRXNI-NWDGAFQWSA-N 1 1 334.376 1.554 20 5 EDBDMO Cn1cc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000602669875 449741413 /nfs/dbraw/zinc/74/14/13/449741413.db2.gz KYNUMZYIZVLAKH-KRWDZBQOSA-N 1 1 348.378 1.895 20 5 EDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602723942 449768226 /nfs/dbraw/zinc/76/82/26/449768226.db2.gz JVJMQWVFNTUXTN-LNDLHUTPSA-N 1 1 343.383 1.983 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000602785494 449808550 /nfs/dbraw/zinc/80/85/50/449808550.db2.gz UOWFHIVDAMNFAQ-CQSZACIVSA-N 1 1 344.419 1.874 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000602785494 449808555 /nfs/dbraw/zinc/80/85/55/449808555.db2.gz UOWFHIVDAMNFAQ-CQSZACIVSA-N 1 1 344.419 1.874 20 5 EDBDMO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000594967469 449824422 /nfs/dbraw/zinc/82/44/22/449824422.db2.gz ZXDWXEUBLMIANZ-ZFWWWQNUSA-N 1 1 342.417 1.620 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601318543 449827239 /nfs/dbraw/zinc/82/72/39/449827239.db2.gz OFCSESBJZSVULG-JTQLQIEISA-N 1 1 343.380 1.557 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601318543 449827244 /nfs/dbraw/zinc/82/72/44/449827244.db2.gz OFCSESBJZSVULG-JTQLQIEISA-N 1 1 343.380 1.557 20 5 EDBDMO C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000601347752 449859599 /nfs/dbraw/zinc/85/95/99/449859599.db2.gz KNOODNYCVKGRNC-CJNGLKHVSA-N 1 1 347.415 1.852 20 5 EDBDMO C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000601347752 449859604 /nfs/dbraw/zinc/85/96/04/449859604.db2.gz KNOODNYCVKGRNC-CJNGLKHVSA-N 1 1 347.415 1.852 20 5 EDBDMO CN(C)C[C@]1(O)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602878110 449886598 /nfs/dbraw/zinc/88/65/98/449886598.db2.gz VMTNTXGVJLNEEQ-QGZVFWFLSA-N 1 1 337.420 1.752 20 5 EDBDMO CN(C)C[C@]1(O)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602878110 449886603 /nfs/dbraw/zinc/88/66/03/449886603.db2.gz VMTNTXGVJLNEEQ-QGZVFWFLSA-N 1 1 337.420 1.752 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000601339210 449847886 /nfs/dbraw/zinc/84/78/86/449847886.db2.gz ACSKNLJUHCQAQP-LLVKDONJSA-N 1 1 345.446 1.727 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])s1 ZINC000601419809 449935615 /nfs/dbraw/zinc/93/56/15/449935615.db2.gz OBGDSJYKPKUHSA-VHSXEESVSA-N 1 1 331.419 1.289 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])s1 ZINC000601419809 449935622 /nfs/dbraw/zinc/93/56/22/449935622.db2.gz OBGDSJYKPKUHSA-VHSXEESVSA-N 1 1 331.419 1.289 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000601440786 449962938 /nfs/dbraw/zinc/96/29/38/449962938.db2.gz XUNSPFMNIPMMQY-CYBMUJFWSA-N 1 1 341.433 1.841 20 5 EDBDMO 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CC[N@@H+](CCO)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000183986908 528542517 /nfs/dbraw/zinc/54/25/17/528542517.db2.gz ULDBXBJWMQWITI-GFCCVEGCSA-N 1 1 341.433 1.506 20 5 EDBDMO CC(C)N1C(=O)N[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000345563896 535140337 /nfs/dbraw/zinc/14/03/37/535140337.db2.gz YDRSCPGMGRWKOY-UONOGXRCSA-N 1 1 348.403 1.850 20 5 EDBDMO CC(C)N1C(=O)N[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000345563896 535140340 /nfs/dbraw/zinc/14/03/40/535140340.db2.gz YDRSCPGMGRWKOY-UONOGXRCSA-N 1 1 348.403 1.850 20 5 EDBDMO CC[NH+](CC)CCN(CCOC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264165020 535526545 /nfs/dbraw/zinc/52/65/45/535526545.db2.gz JLEIWRCBTCBJFE-UHFFFAOYSA-N 1 1 327.385 1.057 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc([N+](=O)[O-])c1 ZINC000346329512 536871568 /nfs/dbraw/zinc/87/15/68/536871568.db2.gz RWNKIZDXUXFYNF-KRWDZBQOSA-N 1 1 347.371 1.549 20 5 EDBDMO CC[N@@H+]1CCO[C@@H](CNc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000730080188 578616157 /nfs/dbraw/zinc/61/61/57/578616157.db2.gz QFDHDLGMKGYUHK-DYLGSBMWSA-N 1 1 349.387 1.914 20 5 EDBDMO CC[N@H+]1CCO[C@@H](CNc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000730080188 578616159 /nfs/dbraw/zinc/61/61/59/578616159.db2.gz QFDHDLGMKGYUHK-DYLGSBMWSA-N 1 1 349.387 1.914 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000730936349 578664254 /nfs/dbraw/zinc/66/42/54/578664254.db2.gz KRVWRTMPBGJUEQ-NSHDSACASA-N 1 1 325.340 1.571 20 5 EDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000735757310 578921044 /nfs/dbraw/zinc/92/10/44/578921044.db2.gz AMFSZLZXXLWTQL-CQSZACIVSA-N 1 1 331.380 1.551 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736859756 579027841 /nfs/dbraw/zinc/02/78/41/579027841.db2.gz IXIMTVCFVDDAJZ-LSDHHAIUSA-N 1 1 343.391 1.838 20 5 EDBDMO C[C@H]1CC[N@@H+](CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000744798596 579524685 /nfs/dbraw/zinc/52/46/85/579524685.db2.gz CLKHXNSEAKMSAO-LBPRGKRZSA-N 1 1 331.376 1.403 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccncc2Cl)cc1 ZINC000746656473 579605481 /nfs/dbraw/zinc/60/54/81/579605481.db2.gz ZBFKZPZRPOSTEY-HUUCEWRRSA-N 1 1 337.763 1.827 20 5 EDBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000749799604 579740430 /nfs/dbraw/zinc/74/04/30/579740430.db2.gz XUYFGCJCAUKRTI-NWDGAFQWSA-N 1 1 345.355 1.507 20 5 EDBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000749799604 579740432 /nfs/dbraw/zinc/74/04/32/579740432.db2.gz XUYFGCJCAUKRTI-NWDGAFQWSA-N 1 1 345.355 1.507 20 5 EDBDMO C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000778050200 580455439 /nfs/dbraw/zinc/45/54/39/580455439.db2.gz KWHCYMCFNSKQRX-GWCFXTLKSA-N 1 1 343.330 1.522 20 5 EDBDMO C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000778050200 580455440 /nfs/dbraw/zinc/45/54/40/580455440.db2.gz KWHCYMCFNSKQRX-GWCFXTLKSA-N 1 1 343.330 1.522 20 5 EDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c2nonc21 ZINC000751946902 579829662 /nfs/dbraw/zinc/82/96/62/579829662.db2.gz ORNLTHYXGRWBRA-UHFFFAOYSA-N 1 1 349.391 1.926 20 5 EDBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771501895 580288065 /nfs/dbraw/zinc/28/80/65/580288065.db2.gz AJDVQZWLCMQMSO-SECBINFHSA-N 1 1 347.400 1.814 20 5 EDBDMO C[C@H](NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000774708175 580371568 /nfs/dbraw/zinc/37/15/68/580371568.db2.gz RLJUIMCXCUWRDU-IHRRRGAJSA-N 1 1 348.403 1.818 20 5 EDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794986222 580909968 /nfs/dbraw/zinc/90/99/68/580909968.db2.gz WTQWIWCGCSGQFR-NHAGDIPZSA-N 1 1 333.344 1.274 20 5 EDBDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000796559862 580956446 /nfs/dbraw/zinc/95/64/46/580956446.db2.gz DRGYBCPEIDFYEI-RDJZCZTQSA-N 1 1 336.388 1.898 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801880905 581087174 /nfs/dbraw/zinc/08/71/74/581087174.db2.gz YUEAHBTWLSQVAR-SNVBAGLBSA-N 1 1 340.355 1.157 20 5 EDBDMO O=[N+]([O-])c1c2nonc2ccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000892679822 591126704 /nfs/dbraw/zinc/12/67/04/591126704.db2.gz JTIQHAWTHDACIV-LLVKDONJSA-N 1 1 333.348 1.290 20 5 EDBDMO C[C@H](NC(=O)N1CCN(C)CC[N@@H+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000894017111 591167235 /nfs/dbraw/zinc/16/72/35/591167235.db2.gz XGDBUZGUNXXFQY-AWEZNQCLSA-N 1 1 349.435 1.545 20 5 EDBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N[C@H]3CC[N@@H+](C)[C@H]3C)n2)CC[NH+]1C ZINC000895735763 591264784 /nfs/dbraw/zinc/26/47/84/591264784.db2.gz GZDVLTWHJWMCNR-RQJABVFESA-N 1 1 348.451 1.999 20 5 EDBDMO O=[N+]([O-])c1c(NC[C@H]2CC[N@H+]2C2CCOCC2)nc2sccn21 ZINC000896515385 591487932 /nfs/dbraw/zinc/48/79/32/591487932.db2.gz BYUBYRAWCBFEQM-LLVKDONJSA-N 1 1 337.405 1.969 20 5 EDBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000894959154 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COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174194851 231146955 /nfs/dbraw/zinc/14/69/55/231146955.db2.gz QNEOLOURMFVZAS-ZDUSSCGKSA-N 1 1 349.387 1.398 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000154852412 530058329 /nfs/dbraw/zinc/05/83/29/530058329.db2.gz RRMUOISNQPDVDL-CJNGLKHVSA-N 1 1 333.388 1.916 20 5 EDBDMO CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000067419435 215143555 /nfs/dbraw/zinc/14/35/55/215143555.db2.gz RTAZOLVVZHQGMC-TZMCWYRMSA-N 1 1 348.403 1.770 20 5 EDBDMO CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000067419435 215143558 /nfs/dbraw/zinc/14/35/58/215143558.db2.gz RTAZOLVVZHQGMC-TZMCWYRMSA-N 1 1 348.403 1.770 20 5 EDBDMO Cc1cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000068958067 215349046 /nfs/dbraw/zinc/34/90/46/215349046.db2.gz KGKYBRGODDEXOR-OAHLLOKOSA-N 1 1 333.388 1.840 20 5 EDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000412690866 304026819 /nfs/dbraw/zinc/02/68/19/304026819.db2.gz BCFWQCNOTWZSQV-ZDUSSCGKSA-N 1 1 343.387 1.675 20 5 EDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1Cc1ccccc1 ZINC000412690866 304026821 /nfs/dbraw/zinc/02/68/21/304026821.db2.gz BCFWQCNOTWZSQV-ZDUSSCGKSA-N 1 1 343.387 1.675 20 5 EDBDMO Cc1c(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000184384965 235384028 /nfs/dbraw/zinc/38/40/28/235384028.db2.gz VWZABLFDXMOBDQ-CYBMUJFWSA-N 1 1 334.420 1.659 20 5 EDBDMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000181419483 138768112 /nfs/dbraw/zinc/76/81/12/138768112.db2.gz NCVQLFJWMBYQJI-AWEZNQCLSA-N 1 1 333.323 1.254 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCCn1cc[nH+]c1C ZINC000130142674 223126352 /nfs/dbraw/zinc/12/63/52/223126352.db2.gz MJJMYAVGLXCNKC-UHFFFAOYSA-N 1 1 334.380 1.591 20 5 EDBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000111221274 220113887 /nfs/dbraw/zinc/11/38/87/220113887.db2.gz DGIIXHPPDFFAMU-YPMHNXCESA-N 1 1 346.387 1.070 20 5 EDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000111269069 220128891 /nfs/dbraw/zinc/12/88/91/220128891.db2.gz AETAPHLJHGRQMB-LLVKDONJSA-N 1 1 335.360 1.419 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245411496 139072925 /nfs/dbraw/zinc/07/29/25/139072925.db2.gz XDCBZKPKZRNCAN-NEPJUHHUSA-N 1 1 334.376 1.509 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245411496 139072926 /nfs/dbraw/zinc/07/29/26/139072926.db2.gz XDCBZKPKZRNCAN-NEPJUHHUSA-N 1 1 334.376 1.509 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000246754404 139120379 /nfs/dbraw/zinc/12/03/79/139120379.db2.gz OCWNYZTXXROYAC-QWRGUYRKSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000246754404 139120380 /nfs/dbraw/zinc/12/03/80/139120380.db2.gz OCWNYZTXXROYAC-QWRGUYRKSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000249392804 139192569 /nfs/dbraw/zinc/19/25/69/139192569.db2.gz AGWRGTMYQHXMDD-NEPJUHHUSA-N 1 1 346.387 1.603 20 5 EDBDMO CCc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000251698270 139202333 /nfs/dbraw/zinc/20/23/33/139202333.db2.gz IWOBSXGKQNKERH-OLZOCXBDSA-N 1 1 335.404 1.684 20 5 EDBDMO CCc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000251698270 139202334 /nfs/dbraw/zinc/20/23/34/139202334.db2.gz IWOBSXGKQNKERH-OLZOCXBDSA-N 1 1 335.404 1.684 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425808388 252310737 /nfs/dbraw/zinc/31/07/37/252310737.db2.gz HFPSKNUKWASIRR-SWLSCSKDSA-N 1 1 346.387 1.394 20 5 EDBDMO CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000153447560 224105821 /nfs/dbraw/zinc/10/58/21/224105821.db2.gz ANZIGCLDKUXKRO-ZDUSSCGKSA-N 1 1 344.375 1.342 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495251761 255275702 /nfs/dbraw/zinc/27/57/02/255275702.db2.gz KVBBDSQFCFEBBM-NSHDSACASA-N 1 1 348.359 1.496 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCO)Cc1cccc(F)c1 ZINC000494286197 255244218 /nfs/dbraw/zinc/24/42/18/255244218.db2.gz XNMJEFHSASQPEH-UHFFFAOYSA-N 1 1 335.335 1.390 20 5 EDBDMO O=C1OCCN1C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000496481762 255397354 /nfs/dbraw/zinc/39/73/54/255397354.db2.gz RJTGBWUZBGWXGR-WFASDCNBSA-N 1 1 335.360 1.402 20 5 EDBDMO Cc1nn(CCC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1[N+](=O)[O-] ZINC000263989376 139374303 /nfs/dbraw/zinc/37/43/03/139374303.db2.gz NJNYRVPXYQTKBF-UONOGXRCSA-N 1 1 335.408 1.541 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118105864 221118919 /nfs/dbraw/zinc/11/89/19/221118919.db2.gz HEACHJWZHHOWFJ-SNVBAGLBSA-N 1 1 340.767 1.397 20 5 EDBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866759 221199640 /nfs/dbraw/zinc/19/96/40/221199640.db2.gz WTIVMYQQXLBCHL-NEPJUHHUSA-N 1 1 335.408 1.779 20 5 EDBDMO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866759 221199642 /nfs/dbraw/zinc/19/96/42/221199642.db2.gz WTIVMYQQXLBCHL-NEPJUHHUSA-N 1 1 335.408 1.779 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416293873 304303762 /nfs/dbraw/zinc/30/37/62/304303762.db2.gz KJIHXPSVCAZXSQ-WDEREUQCSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416293873 304303764 /nfs/dbraw/zinc/30/37/64/304303764.db2.gz KJIHXPSVCAZXSQ-WDEREUQCSA-N 1 1 325.340 1.261 20 5 EDBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCSCC1 ZINC000270235260 140064803 /nfs/dbraw/zinc/06/48/03/140064803.db2.gz BCJYWZBIRJRVGU-UHFFFAOYSA-N 1 1 338.433 1.485 20 5 EDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000270555270 140122776 /nfs/dbraw/zinc/12/27/76/140122776.db2.gz JGSNHXZCSSEENL-NSHDSACASA-N 1 1 327.406 1.656 20 5 EDBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000331375466 141013419 /nfs/dbraw/zinc/01/34/19/141013419.db2.gz GRIHLFWUQAWMPO-VIFPVBQESA-N 1 1 325.315 1.768 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416371410 304312202 /nfs/dbraw/zinc/31/22/02/304312202.db2.gz LVUPZYDKPZDWGG-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331961809 141103641 /nfs/dbraw/zinc/10/36/41/141103641.db2.gz BCMBFRAMKARZMC-PMPSAXMXSA-N 1 1 349.431 1.893 20 5 EDBDMO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331961809 141103642 /nfs/dbraw/zinc/10/36/42/141103642.db2.gz BCMBFRAMKARZMC-PMPSAXMXSA-N 1 1 349.431 1.893 20 5 EDBDMO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331961809 141103643 /nfs/dbraw/zinc/10/36/43/141103643.db2.gz BCMBFRAMKARZMC-PMPSAXMXSA-N 1 1 349.431 1.893 20 5 EDBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NC1CCCCC1 ZINC000331984584 141106639 /nfs/dbraw/zinc/10/66/39/141106639.db2.gz VBHFYMLCAUTNBS-UHFFFAOYSA-N 1 1 335.408 1.877 20 5 EDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000332560033 141203291 /nfs/dbraw/zinc/20/32/91/141203291.db2.gz QJXKDSSHVXKUIV-CYBMUJFWSA-N 1 1 338.412 1.211 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345923001 143147431 /nfs/dbraw/zinc/14/74/31/143147431.db2.gz PSYGWBDFDKMEIN-UONOGXRCSA-N 1 1 334.420 1.972 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C(N)=O ZINC000346639510 143225009 /nfs/dbraw/zinc/22/50/09/143225009.db2.gz DMQTZYSNNVTCDI-IINYFYTJSA-N 1 1 330.344 1.803 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000347222834 143296954 /nfs/dbraw/zinc/29/69/54/143296954.db2.gz UIDHJYLOAGTNJC-IJLUTSLNSA-N 1 1 335.360 1.805 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000347222834 143296955 /nfs/dbraw/zinc/29/69/55/143296955.db2.gz UIDHJYLOAGTNJC-IJLUTSLNSA-N 1 1 335.360 1.805 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352692801 149118129 /nfs/dbraw/zinc/11/81/29/149118129.db2.gz GWFZVYSLTXKNCS-KBPBESRZSA-N 1 1 337.376 1.777 20 5 EDBDMO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355368354 150238383 /nfs/dbraw/zinc/23/83/83/150238383.db2.gz LGYACWGLHYGZQZ-HUUCEWRRSA-N 1 1 335.360 1.236 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355368354 150238386 /nfs/dbraw/zinc/23/83/86/150238386.db2.gz LGYACWGLHYGZQZ-HUUCEWRRSA-N 1 1 335.360 1.236 20 5 EDBDMO C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000358055442 151249889 /nfs/dbraw/zinc/24/98/89/151249889.db2.gz MEVHDRIEFZVIFN-MEBBXXQBSA-N 1 1 325.340 1.020 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000370080281 155315297 /nfs/dbraw/zinc/31/52/97/155315297.db2.gz FDYIBFOTALGDFY-GTNSWQLSSA-N 1 1 349.387 1.777 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000370080281 155315299 /nfs/dbraw/zinc/31/52/99/155315299.db2.gz FDYIBFOTALGDFY-GTNSWQLSSA-N 1 1 349.387 1.777 20 5 EDBDMO O=[N+]([O-])c1cc(F)c(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(F)c1 ZINC000360465985 152055218 /nfs/dbraw/zinc/05/52/18/152055218.db2.gz IEMKAEKGDIVQST-UONOGXRCSA-N 1 1 327.331 1.908 20 5 EDBDMO Cc1cc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000361010225 152277878 /nfs/dbraw/zinc/27/78/78/152277878.db2.gz BXQBEYIWHAJWQL-MRXNPFEDSA-N 1 1 346.431 1.755 20 5 EDBDMO CC[N@@H+]1CCO[C@H](CN2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)C1 ZINC000361315157 152360627 /nfs/dbraw/zinc/36/06/27/152360627.db2.gz LOMITLHDRNALJS-HNNXBMFYSA-N 1 1 349.435 1.141 20 5 EDBDMO CC[N@H+]1CCO[C@H](CN2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)C1 ZINC000361315157 152360628 /nfs/dbraw/zinc/36/06/28/152360628.db2.gz LOMITLHDRNALJS-HNNXBMFYSA-N 1 1 349.435 1.141 20 5 EDBDMO COCCC[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000370161633 155355713 /nfs/dbraw/zinc/35/57/13/155355713.db2.gz LDNFJTWLKZUPEN-UHFFFAOYSA-N 1 1 336.392 1.361 20 5 EDBDMO Cc1cc(C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000364592914 153281491 /nfs/dbraw/zinc/28/14/91/153281491.db2.gz UULKWYUGQQBJFH-UHFFFAOYSA-N 1 1 335.404 1.822 20 5 EDBDMO COc1cc(CN2CCC[N@H+]([C@H](C)CO)CC2)c([N+](=O)[O-])cc1F ZINC000364913637 153368304 /nfs/dbraw/zinc/36/83/04/153368304.db2.gz HJHNUNXBPFETRE-GFCCVEGCSA-N 1 1 341.383 1.631 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000367581676 154185751 /nfs/dbraw/zinc/18/57/51/154185751.db2.gz FCXCIKBCYWMUQQ-TZMCWYRMSA-N 1 1 339.417 1.618 20 5 EDBDMO CSc1ccc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000368004607 154364183 /nfs/dbraw/zinc/36/41/83/154364183.db2.gz DXMQYNNAXROKDI-JTQLQIEISA-N 1 1 331.344 1.996 20 5 EDBDMO CC(C)[C@]1(CO)CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000368075068 154398405 /nfs/dbraw/zinc/39/84/05/154398405.db2.gz PTJJYNOSMDSWIG-QGZVFWFLSA-N 1 1 335.404 1.898 20 5 EDBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000372295249 156317363 /nfs/dbraw/zinc/31/73/63/156317363.db2.gz QWCHSVUOXRLMJO-HNNXBMFYSA-N 1 1 342.355 1.059 20 5 EDBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000372295249 156317365 /nfs/dbraw/zinc/31/73/65/156317365.db2.gz QWCHSVUOXRLMJO-HNNXBMFYSA-N 1 1 342.355 1.059 20 5 EDBDMO Cc1ccc(CN2CC[NH+]([C@@H]3CCCCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000372397357 156370929 /nfs/dbraw/zinc/37/09/29/156370929.db2.gz CTTOGTRCMWLFIJ-MRXNPFEDSA-N 1 1 346.431 1.690 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H](c3nccn3C)C2)c1[N+](=O)[O-] ZINC000374331676 157247291 /nfs/dbraw/zinc/24/72/91/157247291.db2.gz LHVQMRSZCBVMNN-JTQLQIEISA-N 1 1 332.364 1.634 20 5 EDBDMO C[C@]1(c2ccccc2)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000378127277 158086790 /nfs/dbraw/zinc/08/67/90/158086790.db2.gz PIXBNCIETPVKKP-SJORKVTESA-N 1 1 330.388 1.816 20 5 EDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000186736873 533677751 /nfs/dbraw/zinc/67/77/51/533677751.db2.gz UMPPBGNRCPRGNB-SNVBAGLBSA-N 1 1 342.783 1.779 20 5 EDBDMO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000122320379 222061476 /nfs/dbraw/zinc/06/14/76/222061476.db2.gz UCWWHSHNKAECLT-UHFFFAOYSA-N 1 1 329.360 1.844 20 5 EDBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000122440700 222089521 /nfs/dbraw/zinc/08/95/21/222089521.db2.gz HVOKPVQBSYFLJT-CQSZACIVSA-N 1 1 348.447 1.907 20 5 EDBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000274829611 268216598 /nfs/dbraw/zinc/21/65/98/268216598.db2.gz QRXQLEXVUPTSTL-GJZGRUSLSA-N 1 1 346.387 1.068 20 5 EDBDMO CCOc1cc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276940731 273170766 /nfs/dbraw/zinc/17/07/66/273170766.db2.gz SDBMVWYFUXMTNH-UONOGXRCSA-N 1 1 337.420 1.880 20 5 EDBDMO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000277323949 273188318 /nfs/dbraw/zinc/18/83/18/273188318.db2.gz VIBVXVDDKGHPRP-SPSFWMDKSA-N 1 1 339.417 1.766 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000277323949 273188320 /nfs/dbraw/zinc/18/83/20/273188320.db2.gz VIBVXVDDKGHPRP-SPSFWMDKSA-N 1 1 339.417 1.766 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000277611430 273211305 /nfs/dbraw/zinc/21/13/05/273211305.db2.gz PWYVZQMFTWGGPA-LBPRGKRZSA-N 1 1 337.376 1.302 20 5 EDBDMO CC[C@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413152292 273754757 /nfs/dbraw/zinc/75/47/57/273754757.db2.gz ZISDHJVFIHJPSV-NSHDSACASA-N 1 1 348.325 1.902 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2C1 ZINC000284462740 274210970 /nfs/dbraw/zinc/21/09/70/274210970.db2.gz AOHMWNSZYQUFME-HZPDHXFCSA-N 1 1 349.387 1.366 20 5 EDBDMO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C(N)=O ZINC000331651544 274360032 /nfs/dbraw/zinc/36/00/32/274360032.db2.gz ZNTMUWCSPXEPOL-HONMWMINSA-N 1 1 332.360 1.803 20 5 EDBDMO C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1[NH+]1CCOCC1 ZINC000347411579 274601192 /nfs/dbraw/zinc/60/11/92/274601192.db2.gz ISHJRDUTAYKODW-SWLSCSKDSA-N 1 1 343.387 1.695 20 5 EDBDMO O=[N+]([O-])c1cccc2ncnc(N3CCN(c4[nH]cc[nH+]4)CC3)c21 ZINC000340893132 275039577 /nfs/dbraw/zinc/03/95/77/275039577.db2.gz GHCUKLXEXADGFQ-UHFFFAOYSA-N 1 1 325.332 1.588 20 5 EDBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000255168568 287832229 /nfs/dbraw/zinc/83/22/29/287832229.db2.gz VGRGOYGSCSJCTP-XITLMJRVSA-N 1 1 345.399 1.931 20 5 EDBDMO CC1(C)C[N@H+](C2(CNC(=O)[C@H]3C[C@H]3[N+](=O)[O-])CCCCC2)CCO1 ZINC000373963239 276131313 /nfs/dbraw/zinc/13/13/13/276131313.db2.gz KNVXNACAULMAQL-UONOGXRCSA-N 1 1 339.436 1.582 20 5 EDBDMO CC1(C)C[N@@H+](C2(CNC(=O)[C@H]3CC3[N+](=O)[O-])CCCCC2)CCO1 ZINC000373963239 276131316 /nfs/dbraw/zinc/13/13/16/276131316.db2.gz KNVXNACAULMAQL-UONOGXRCSA-N 1 1 339.436 1.582 20 5 EDBDMO CC1(C)C[N@H+](C2(CNC(=O)[C@H]3CC3[N+](=O)[O-])CCCCC2)CCO1 ZINC000373963239 276131318 /nfs/dbraw/zinc/13/13/18/276131318.db2.gz KNVXNACAULMAQL-UONOGXRCSA-N 1 1 339.436 1.582 20 5 EDBDMO O=c1[nH]c(NCC[N@@H+]2CCCOCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000286502845 288021438 /nfs/dbraw/zinc/02/14/38/288021438.db2.gz AOVDVWCUKRVQHO-UHFFFAOYSA-N 1 1 333.348 1.378 20 5 EDBDMO O=c1[nH]c(NCC[N@H+]2CCCOCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000286502845 288021440 /nfs/dbraw/zinc/02/14/40/288021440.db2.gz AOVDVWCUKRVQHO-UHFFFAOYSA-N 1 1 333.348 1.378 20 5 EDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000253357502 278259152 /nfs/dbraw/zinc/25/91/52/278259152.db2.gz BPFZDCTZXKKHHC-STQMWFEESA-N 1 1 348.403 1.770 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)C1 ZINC000286789984 288088114 /nfs/dbraw/zinc/08/81/14/288088114.db2.gz JQXOKSDTOQKOGZ-QWRGUYRKSA-N 1 1 347.375 1.135 20 5 EDBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000340907512 279499251 /nfs/dbraw/zinc/49/92/51/279499251.db2.gz XLWSNXLLSVNZJP-AVGNSLFASA-N 1 1 348.403 1.358 20 5 EDBDMO CC[C@@H](C)[N@@H+](CCO)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000287593084 288273080 /nfs/dbraw/zinc/27/30/80/288273080.db2.gz YJALVXZTULOAND-LLVKDONJSA-N 1 1 325.365 1.635 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000289613058 288743531 /nfs/dbraw/zinc/74/35/31/288743531.db2.gz AWHLBXOWAFXRHV-GFCCVEGCSA-N 1 1 336.392 1.688 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291753531 289171353 /nfs/dbraw/zinc/17/13/53/289171353.db2.gz KRLREDPCPPFASG-VXGBXAGGSA-N 1 1 346.330 1.284 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422017304 447310350 /nfs/dbraw/zinc/31/03/50/447310350.db2.gz HRQHDECJHWCGLW-WFASDCNBSA-N 1 1 348.403 1.266 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)n1 ZINC000408170180 301204020 /nfs/dbraw/zinc/20/40/20/301204020.db2.gz CVCUVQHTLJCVFA-AWEZNQCLSA-N 1 1 347.419 1.349 20 5 EDBDMO CC[C@@H](O)C[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301371692 303675667 /nfs/dbraw/zinc/67/56/67/303675667.db2.gz TTWRLZAYZABHBI-LLVKDONJSA-N 1 1 347.375 1.137 20 5 EDBDMO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430211480 305047647 /nfs/dbraw/zinc/04/76/47/305047647.db2.gz AJFLJKXSBXBENN-HNNXBMFYSA-N 1 1 338.360 1.349 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000430733108 305063631 /nfs/dbraw/zinc/06/36/31/305063631.db2.gz IGNOHDBEVBDNMQ-NSHDSACASA-N 1 1 344.375 1.491 20 5 EDBDMO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432325820 305091424 /nfs/dbraw/zinc/09/14/24/305091424.db2.gz MOHCMYYBBKXONV-ZDUSSCGKSA-N 1 1 346.387 1.272 20 5 EDBDMO O=[N+]([O-])c1cccc2c(NC[C@@H](O)C[NH+]3CCOCC3)ccnc21 ZINC000432338997 305091744 /nfs/dbraw/zinc/09/17/44/305091744.db2.gz YWAGZJABIWXPGP-GFCCVEGCSA-N 1 1 332.360 1.248 20 5 EDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000441116802 305217762 /nfs/dbraw/zinc/21/77/62/305217762.db2.gz KRLNIMGANVHEHE-NEPJUHHUSA-N 1 1 334.376 1.474 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000441116802 305217763 /nfs/dbraw/zinc/21/77/63/305217763.db2.gz KRLNIMGANVHEHE-NEPJUHHUSA-N 1 1 334.376 1.474 20 5 EDBDMO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000443789124 305241498 /nfs/dbraw/zinc/24/14/98/305241498.db2.gz XWORSKOSBPTGPK-YPMHNXCESA-N 1 1 327.406 1.497 20 5 EDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000451247842 305335236 /nfs/dbraw/zinc/33/52/36/305335236.db2.gz AKCQQZMXJUXYCE-GXTWGEPZSA-N 1 1 349.387 1.986 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000451305890 305337939 /nfs/dbraw/zinc/33/79/39/305337939.db2.gz XBEFKFPCRUOIRQ-FRFSOERESA-N 1 1 336.388 1.835 20 5 EDBDMO CCOCCNC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552098 305353010 /nfs/dbraw/zinc/35/30/10/305353010.db2.gz VLUKIQCHIZDWRK-OAHLLOKOSA-N 1 1 335.404 1.927 20 5 EDBDMO CCOCCNC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552098 305353011 /nfs/dbraw/zinc/35/30/11/305353011.db2.gz VLUKIQCHIZDWRK-OAHLLOKOSA-N 1 1 335.404 1.927 20 5 EDBDMO COc1cc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000452127829 305384464 /nfs/dbraw/zinc/38/44/64/305384464.db2.gz TYDPVKJUNAKBHI-INIZCTEOSA-N 1 1 337.351 1.910 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452371565 305394063 /nfs/dbraw/zinc/39/40/63/305394063.db2.gz ARZMHAPEMDNDIA-LBPRGKRZSA-N 1 1 337.376 1.180 20 5 EDBDMO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000541053250 306043626 /nfs/dbraw/zinc/04/36/26/306043626.db2.gz LUNPSEFUAGXJBL-HNNXBMFYSA-N 1 1 329.356 1.825 20 5 EDBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000549729854 306147940 /nfs/dbraw/zinc/14/79/40/306147940.db2.gz SKHHTLYOGNQAQQ-UHFFFAOYSA-N 1 1 348.403 1.091 20 5 EDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000551906537 306167509 /nfs/dbraw/zinc/16/75/09/306167509.db2.gz IJDCDAIWMWYAAS-CYBMUJFWSA-N 1 1 334.376 1.394 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000551906537 306167510 /nfs/dbraw/zinc/16/75/10/306167510.db2.gz IJDCDAIWMWYAAS-CYBMUJFWSA-N 1 1 334.376 1.394 20 5 EDBDMO COC1(C)CC[NH+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000553152781 306182888 /nfs/dbraw/zinc/18/28/88/306182888.db2.gz IPOWVZNSUDSDCV-CQSZACIVSA-N 1 1 347.371 1.728 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000493740500 447383586 /nfs/dbraw/zinc/38/35/86/447383586.db2.gz UUHVRZIONGUNIE-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000493740499 447383219 /nfs/dbraw/zinc/38/32/19/447383219.db2.gz UUHVRZIONGUNIE-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO CCN1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000057256415 441102947 /nfs/dbraw/zinc/10/29/47/441102947.db2.gz RVMFKJUYHIXJAF-UHFFFAOYSA-N 1 1 338.383 1.491 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000070871467 441125131 /nfs/dbraw/zinc/12/51/31/441125131.db2.gz BDJYKBCLSKRVKV-LLVKDONJSA-N 1 1 335.360 1.580 20 5 EDBDMO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000081523637 441281268 /nfs/dbraw/zinc/28/12/68/441281268.db2.gz OZYIYVNXJHOWQO-GFCCVEGCSA-N 1 1 337.376 1.900 20 5 EDBDMO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000081523637 441281271 /nfs/dbraw/zinc/28/12/71/441281271.db2.gz OZYIYVNXJHOWQO-GFCCVEGCSA-N 1 1 337.376 1.900 20 5 EDBDMO Cc1[nH+]ccn1CCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000063656030 441340823 /nfs/dbraw/zinc/34/08/23/441340823.db2.gz SXNXPQOZAGXDAG-UHFFFAOYSA-N 1 1 336.323 1.824 20 5 EDBDMO C[NH+]1CCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000064029542 441363166 /nfs/dbraw/zinc/36/31/66/441363166.db2.gz POBCFMXLCSPNFK-UHFFFAOYSA-N 1 1 338.433 1.647 20 5 EDBDMO CCC(CC)[C@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCOCC1 ZINC000029147578 441447974 /nfs/dbraw/zinc/44/79/74/441447974.db2.gz QKRLBDCKHHICKD-ZDUSSCGKSA-N 1 1 325.413 1.877 20 5 EDBDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000027343610 441400520 /nfs/dbraw/zinc/40/05/20/441400520.db2.gz OZVIWMMWXIVQDQ-CYBMUJFWSA-N 1 1 335.360 1.469 20 5 EDBDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000027343610 441400527 /nfs/dbraw/zinc/40/05/27/441400527.db2.gz OZVIWMMWXIVQDQ-CYBMUJFWSA-N 1 1 335.360 1.469 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000065882130 441491648 /nfs/dbraw/zinc/49/16/48/441491648.db2.gz MLTUHQRSRQYLCS-UHFFFAOYSA-N 1 1 331.376 1.348 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCc3ccc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC000088616572 441516495 /nfs/dbraw/zinc/51/64/95/441516495.db2.gz CDIAOLKQOMBLCG-QWQRMKEZSA-N 1 1 349.431 1.423 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCc3ccc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC000088616572 441516501 /nfs/dbraw/zinc/51/65/01/441516501.db2.gz CDIAOLKQOMBLCG-QWQRMKEZSA-N 1 1 349.431 1.423 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000110815252 441524366 /nfs/dbraw/zinc/52/43/66/441524366.db2.gz YZAPHHLUCZGJPW-UHFFFAOYSA-N 1 1 336.348 1.979 20 5 EDBDMO COCCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000066379040 441526871 /nfs/dbraw/zinc/52/68/71/441526871.db2.gz YOPFYQPQCKJXAB-UHFFFAOYSA-N 1 1 325.365 1.900 20 5 EDBDMO C[C@H](O)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000075717285 441551379 /nfs/dbraw/zinc/55/13/79/441551379.db2.gz VIJLAHNRPFXDFP-WFASDCNBSA-N 1 1 326.397 1.168 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000075744892 441553606 /nfs/dbraw/zinc/55/36/06/441553606.db2.gz HVWHAMDKUOBUFQ-GOEBONIOSA-N 1 1 332.360 1.306 20 5 EDBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000112921517 441568704 /nfs/dbraw/zinc/56/87/04/441568704.db2.gz JTVRETBSPFXTPA-UHFFFAOYSA-N 1 1 349.435 1.275 20 5 EDBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000112921517 441568709 /nfs/dbraw/zinc/56/87/09/441568709.db2.gz JTVRETBSPFXTPA-UHFFFAOYSA-N 1 1 349.435 1.275 20 5 EDBDMO COCCC[N@H+](CCOC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000054364756 441574210 /nfs/dbraw/zinc/57/42/10/441574210.db2.gz FWTYCBNRTSCYNA-UHFFFAOYSA-N 1 1 340.376 1.946 20 5 EDBDMO COCCC[N@@H+](CCOC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000054364756 441574213 /nfs/dbraw/zinc/57/42/13/441574213.db2.gz FWTYCBNRTSCYNA-UHFFFAOYSA-N 1 1 340.376 1.946 20 5 EDBDMO COC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112989780 441575281 /nfs/dbraw/zinc/57/52/81/441575281.db2.gz HQYVCCAPYOPSAT-LBPRGKRZSA-N 1 1 337.376 1.900 20 5 EDBDMO COC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112989780 441575286 /nfs/dbraw/zinc/57/52/86/441575286.db2.gz HQYVCCAPYOPSAT-LBPRGKRZSA-N 1 1 337.376 1.900 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067148661 441611007 /nfs/dbraw/zinc/61/10/07/441611007.db2.gz AQFXHDPKBIGVMO-NSHDSACASA-N 1 1 335.360 1.580 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](CCc2cccs2)CC1 ZINC000056302462 441700719 /nfs/dbraw/zinc/70/07/19/441700719.db2.gz OZYASLGFCDFEEP-UHFFFAOYSA-N 1 1 334.401 1.985 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000041668588 441667148 /nfs/dbraw/zinc/66/71/48/441667148.db2.gz FYBVTQNERMWQMW-GFCCVEGCSA-N 1 1 348.403 1.690 20 5 EDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000136962391 441735246 /nfs/dbraw/zinc/73/52/46/441735246.db2.gz QQRZSDCJIGGEKW-NSHDSACASA-N 1 1 341.795 1.777 20 5 EDBDMO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000136824972 441726854 /nfs/dbraw/zinc/72/68/54/441726854.db2.gz VLCWPLMOICSASP-UHFFFAOYSA-N 1 1 347.350 1.851 20 5 EDBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000092641118 441815537 /nfs/dbraw/zinc/81/55/37/441815537.db2.gz DSXPPZNPXDZZFQ-CQSZACIVSA-N 1 1 335.408 1.653 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000160778470 441920761 /nfs/dbraw/zinc/92/07/61/441920761.db2.gz DHWZZCPNYKNHLU-HNNXBMFYSA-N 1 1 337.376 1.635 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000069137340 441897629 /nfs/dbraw/zinc/89/76/29/441897629.db2.gz CECDKVQCMURVBA-CYBMUJFWSA-N 1 1 341.433 1.913 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000078963821 441999345 /nfs/dbraw/zinc/99/93/45/441999345.db2.gz XULKNUHHUOJXKU-CYBMUJFWSA-N 1 1 333.388 1.920 20 5 EDBDMO O=C([C@H]1CSC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161974490 442051721 /nfs/dbraw/zinc/05/17/21/442051721.db2.gz DBRYJNLMFWMRBR-CQSZACIVSA-N 1 1 337.401 1.627 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCSC3(CCCCC3)C2)c1 ZINC000079503908 442056775 /nfs/dbraw/zinc/05/67/75/442056775.db2.gz CSPYPNFYAPZHMB-AWEZNQCLSA-N 1 1 340.449 1.904 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000162782286 442122685 /nfs/dbraw/zinc/12/26/85/442122685.db2.gz VUKDDNAEJDXRCX-CYBMUJFWSA-N 1 1 336.392 1.824 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000151826441 442126790 /nfs/dbraw/zinc/12/67/90/442126790.db2.gz KXNSJWVVMSOKAT-VXGBXAGGSA-N 1 1 346.387 1.583 20 5 EDBDMO Nc1c(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000126702311 442136356 /nfs/dbraw/zinc/13/63/56/442136356.db2.gz WYOOVXRLILJXOG-VXGBXAGGSA-N 1 1 334.376 1.160 20 5 EDBDMO Nc1c(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000126702311 442136359 /nfs/dbraw/zinc/13/63/59/442136359.db2.gz WYOOVXRLILJXOG-VXGBXAGGSA-N 1 1 334.376 1.160 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000176845866 442262891 /nfs/dbraw/zinc/26/28/91/442262891.db2.gz CCDMMSQUAMRWPO-NWDGAFQWSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000176845866 442262894 /nfs/dbraw/zinc/26/28/94/442262894.db2.gz CCDMMSQUAMRWPO-NWDGAFQWSA-N 1 1 339.417 1.807 20 5 EDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000177312364 442327322 /nfs/dbraw/zinc/32/73/22/442327322.db2.gz IYLJCKCVFRUHFB-PVAVHDDUSA-N 1 1 349.431 1.893 20 5 EDBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000177312364 442327328 /nfs/dbraw/zinc/32/73/28/442327328.db2.gz IYLJCKCVFRUHFB-PVAVHDDUSA-N 1 1 349.431 1.893 20 5 EDBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000177312364 442327330 /nfs/dbraw/zinc/32/73/30/442327330.db2.gz IYLJCKCVFRUHFB-PVAVHDDUSA-N 1 1 349.431 1.893 20 5 EDBDMO C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154809364 442358637 /nfs/dbraw/zinc/35/86/37/442358637.db2.gz RIDTYADYFKTAJV-BDJLRTHQSA-N 1 1 348.403 1.618 20 5 EDBDMO C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154809364 442358639 /nfs/dbraw/zinc/35/86/39/442358639.db2.gz RIDTYADYFKTAJV-BDJLRTHQSA-N 1 1 348.403 1.618 20 5 EDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](CO)C(C)(C)C ZINC000134371631 442474107 /nfs/dbraw/zinc/47/41/07/442474107.db2.gz AKVJWLTZYWURNJ-HNNXBMFYSA-N 1 1 335.404 1.823 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000173243005 442631583 /nfs/dbraw/zinc/63/15/83/442631583.db2.gz SHMHRVXNLWEZJN-JSGCOSHPSA-N 1 1 341.433 1.864 20 5 EDBDMO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000181377944 442693237 /nfs/dbraw/zinc/69/32/37/442693237.db2.gz IVCCIWHIKASNBO-OAHLLOKOSA-N 1 1 329.360 1.423 20 5 EDBDMO C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC000246627570 442797793 /nfs/dbraw/zinc/79/77/93/442797793.db2.gz KEIQQFSFDMMSMN-QWHCGFSZSA-N 1 1 338.412 1.211 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000268124869 442858002 /nfs/dbraw/zinc/85/80/02/442858002.db2.gz AJGXEBSAECYISO-NHYWBVRUSA-N 1 1 332.404 1.873 20 5 EDBDMO COCC[N@@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000265658159 442867540 /nfs/dbraw/zinc/86/75/40/442867540.db2.gz RDIULXQYYLNTDB-UHFFFAOYSA-N 1 1 325.365 1.173 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000268181735 442887160 /nfs/dbraw/zinc/88/71/60/442887160.db2.gz LMJXVDFWHFTPAV-DOMZBBRYSA-N 1 1 332.404 1.996 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000183148055 442889384 /nfs/dbraw/zinc/88/93/84/442889384.db2.gz KYDYPXFIWVDBKZ-RYUDHWBXSA-N 1 1 337.376 1.635 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000248454775 442893457 /nfs/dbraw/zinc/89/34/57/442893457.db2.gz KMCXJCBKADFUHR-HIFRSBDPSA-N 1 1 336.388 1.835 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000248820764 442927364 /nfs/dbraw/zinc/92/73/64/442927364.db2.gz BLSHFDQTONJJLJ-AFJNRPGYSA-N 1 1 333.388 1.522 20 5 EDBDMO COc1cc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1OC ZINC000265932730 442974746 /nfs/dbraw/zinc/97/47/46/442974746.db2.gz GLWUBAYFMASXBR-JTQLQIEISA-N 1 1 337.376 1.825 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000266079542 443010275 /nfs/dbraw/zinc/01/02/75/443010275.db2.gz BPMPPECTFACWGL-JTQLQIEISA-N 1 1 343.380 1.497 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000266079542 443010277 /nfs/dbraw/zinc/01/02/77/443010277.db2.gz BPMPPECTFACWGL-JTQLQIEISA-N 1 1 343.380 1.497 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000189810922 443014883 /nfs/dbraw/zinc/01/48/83/443014883.db2.gz PUVARTRJXBGJKG-UHFFFAOYSA-N 1 1 327.406 1.586 20 5 EDBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266242241 443071143 /nfs/dbraw/zinc/07/11/43/443071143.db2.gz WGCXCKZDROIRNK-AWEZNQCLSA-N 1 1 327.406 1.451 20 5 EDBDMO Cc1cccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)c1 ZINC000298693997 318841778 /nfs/dbraw/zinc/84/17/78/318841778.db2.gz CKJWVKQDWQGKOB-UHFFFAOYSA-N 1 1 328.376 1.598 20 5 EDBDMO Cc1cc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000262307195 443189383 /nfs/dbraw/zinc/18/93/83/443189383.db2.gz YJRJINLRAWBQMK-OAHLLOKOSA-N 1 1 341.415 1.935 20 5 EDBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000191083252 443237466 /nfs/dbraw/zinc/23/74/66/443237466.db2.gz XNHPFAWNWOCJIF-UHFFFAOYSA-N 1 1 329.353 1.203 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000411222574 319171099 /nfs/dbraw/zinc/17/10/99/319171099.db2.gz HCVOHLCBOVGHQY-LLVKDONJSA-N 1 1 339.367 1.886 20 5 EDBDMO CCN(CC)C(=O)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266901431 443285828 /nfs/dbraw/zinc/28/58/28/443285828.db2.gz INCZFTWHIUEYOY-INIZCTEOSA-N 1 1 345.403 1.991 20 5 EDBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000185934522 443286646 /nfs/dbraw/zinc/28/66/46/443286646.db2.gz CIEOHEUWTCFCMK-MNOVXSKESA-N 1 1 325.390 1.498 20 5 EDBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000185934522 443286648 /nfs/dbraw/zinc/28/66/48/443286648.db2.gz CIEOHEUWTCFCMK-MNOVXSKESA-N 1 1 325.390 1.498 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000185971069 443292307 /nfs/dbraw/zinc/29/23/07/443292307.db2.gz BRYGGAGISNCROG-WFASDCNBSA-N 1 1 339.417 1.700 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 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1 332.360 1.134 20 5 EDBDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272271947 443575738 /nfs/dbraw/zinc/57/57/38/443575738.db2.gz RZNSUXWCUIRRNP-VIFPVBQESA-N 1 1 335.389 1.623 20 5 EDBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273513247 443578022 /nfs/dbraw/zinc/57/80/22/443578022.db2.gz QKDYOFVDGRGXET-UHFFFAOYSA-N 1 1 338.389 1.609 20 5 EDBDMO COc1ccc(S(=O)(=O)NCC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000272292760 443582175 /nfs/dbraw/zinc/58/21/75/443582175.db2.gz VNCGFHUGGBZQGH-UHFFFAOYSA-N 1 1 341.389 1.144 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000279271515 443547111 /nfs/dbraw/zinc/54/71/11/443547111.db2.gz JEIIISKAZVKHAN-MRRJBJDNSA-N 1 1 336.388 1.834 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000279271515 443547114 /nfs/dbraw/zinc/54/71/14/443547114.db2.gz JEIIISKAZVKHAN-MRRJBJDNSA-N 1 1 336.388 1.834 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000286296117 443684646 /nfs/dbraw/zinc/68/46/46/443684646.db2.gz VJXASWBHTALGPA-GHMZBOCLSA-N 1 1 335.389 1.509 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492741431 320384377 /nfs/dbraw/zinc/38/43/77/320384377.db2.gz WAZZUWVPIQRAFA-PIZKADEWSA-N 1 1 347.415 1.912 20 5 EDBDMO COCC[N@@H+](C)CCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286296146 443685066 /nfs/dbraw/zinc/68/50/66/443685066.db2.gz YBQRJNXXHJBBIP-UHFFFAOYSA-N 1 1 325.394 1.980 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000492783615 320386200 /nfs/dbraw/zinc/38/62/00/320386200.db2.gz QMFNQTBZPCUTGK-UWUBPMADSA-N 1 1 331.372 1.540 20 5 EDBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000286261723 443679225 /nfs/dbraw/zinc/67/92/25/443679225.db2.gz FCKTZVALGNNWDB-UHFFFAOYSA-N 1 1 347.375 1.640 20 5 EDBDMO CN1CCO[C@H]2CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284956990 443797826 /nfs/dbraw/zinc/79/78/26/443797826.db2.gz XEBZTTAQRTXZND-IRXDYDNUSA-N 1 1 335.404 1.769 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288187324 443798204 /nfs/dbraw/zinc/79/82/04/443798204.db2.gz BGMSINNQEYLCLT-NSHDSACASA-N 1 1 335.360 1.548 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288187324 443798208 /nfs/dbraw/zinc/79/82/08/443798208.db2.gz BGMSINNQEYLCLT-NSHDSACASA-N 1 1 335.360 1.548 20 5 EDBDMO CC1=CCC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000280815681 443749796 /nfs/dbraw/zinc/74/97/96/443749796.db2.gz MSMBHUJGSATZMW-UHFFFAOYSA-N 1 1 344.415 1.895 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000298455121 443773023 /nfs/dbraw/zinc/77/30/23/443773023.db2.gz RHEBSWVMXODOKI-IAQYHMDHSA-N 1 1 337.376 1.777 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281299059 443873611 /nfs/dbraw/zinc/87/36/11/443873611.db2.gz JUUXGLWYPLXRAG-GYSYKLTISA-N 1 1 348.359 1.352 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281299059 443873613 /nfs/dbraw/zinc/87/36/13/443873613.db2.gz JUUXGLWYPLXRAG-GYSYKLTISA-N 1 1 348.359 1.352 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285227979 443903637 /nfs/dbraw/zinc/90/36/37/443903637.db2.gz KKOAPCSXNGVTEE-GOEBONIOSA-N 1 1 349.387 1.295 20 5 EDBDMO CS(=O)(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000285403629 443970938 /nfs/dbraw/zinc/97/09/38/443970938.db2.gz INFDYBILGWDQGK-UHFFFAOYSA-N 1 1 345.396 1.495 20 5 EDBDMO COCCOCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000289090938 444051168 /nfs/dbraw/zinc/05/11/68/444051168.db2.gz UMSVBTQRYRTFKH-GFCCVEGCSA-N 1 1 325.365 1.517 20 5 EDBDMO COCCOCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000289090938 444051170 /nfs/dbraw/zinc/05/11/70/444051170.db2.gz UMSVBTQRYRTFKH-GFCCVEGCSA-N 1 1 325.365 1.517 20 5 EDBDMO CCc1nn(C)c(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000302515076 444215392 /nfs/dbraw/zinc/21/53/92/444215392.db2.gz VCOCRDHZEJTOFN-LLVKDONJSA-N 1 1 325.413 1.172 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000290212139 444254673 /nfs/dbraw/zinc/25/46/73/444254673.db2.gz UGGOVVZVUSVDIG-UHFFFAOYSA-N 1 1 328.438 1.612 20 5 EDBDMO CN(CCCN(C)C(=O)c1csc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000290212139 444254676 /nfs/dbraw/zinc/25/46/76/444254676.db2.gz UGGOVVZVUSVDIG-UHFFFAOYSA-N 1 1 328.438 1.612 20 5 EDBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000577172194 321629174 /nfs/dbraw/zinc/62/91/74/321629174.db2.gz LQAKNBQGAHEPNP-LLVKDONJSA-N 1 1 344.375 1.812 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCC[C@H]1CO ZINC000304244114 444244047 /nfs/dbraw/zinc/24/40/47/444244047.db2.gz UJXQJQSPNWBHJH-ZDUSSCGKSA-N 1 1 335.360 1.740 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000290655554 444306704 /nfs/dbraw/zinc/30/67/04/444306704.db2.gz NVVAFXSCLFTEKS-UHFFFAOYSA-N 1 1 348.407 1.084 20 5 EDBDMO CN(CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)CC[NH+](C)C ZINC000290655554 444306707 /nfs/dbraw/zinc/30/67/07/444306707.db2.gz NVVAFXSCLFTEKS-UHFFFAOYSA-N 1 1 348.407 1.084 20 5 EDBDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000297952705 444367348 /nfs/dbraw/zinc/36/73/48/444367348.db2.gz TVDSKYKKCKREET-LBPRGKRZSA-N 1 1 348.403 1.690 20 5 EDBDMO COC(=O)COc1ccc(CN[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000342188492 444554740 /nfs/dbraw/zinc/55/47/40/444554740.db2.gz GTMGHYZPMAURJY-LLVKDONJSA-N 1 1 325.365 1.186 20 5 EDBDMO COC[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000343832345 444617336 /nfs/dbraw/zinc/61/73/36/444617336.db2.gz QBSQFJJJEDEAJK-HUUCEWRRSA-N 1 1 338.360 1.697 20 5 EDBDMO COC[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000343832345 444617340 /nfs/dbraw/zinc/61/73/40/444617340.db2.gz QBSQFJJJEDEAJK-HUUCEWRRSA-N 1 1 338.360 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/nfs/dbraw/zinc/55/33/80/448553380.db2.gz CFXGBFWXHZWMHT-GXTWGEPZSA-N 1 1 341.371 1.200 20 5 EDBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000579623667 448838379 /nfs/dbraw/zinc/83/83/79/448838379.db2.gz BGGVLWQTWPUZCW-UHFFFAOYSA-N 1 1 337.380 1.083 20 5 EDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000592531535 448882642 /nfs/dbraw/zinc/88/26/42/448882642.db2.gz VTAVTZSGDNCJQW-YEAWQHKWSA-N 1 1 334.372 1.854 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@@H+](C)C(C)(C)C2)c1F ZINC000569019087 448953178 /nfs/dbraw/zinc/95/31/78/448953178.db2.gz GROLUXRECMMKBY-UHFFFAOYSA-N 1 1 339.367 1.838 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000589929902 449082575 /nfs/dbraw/zinc/08/25/75/449082575.db2.gz NUDFYVRJFRIVRN-WCQYABFASA-N 1 1 325.390 1.228 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000589930013 449084825 /nfs/dbraw/zinc/08/48/25/449084825.db2.gz RDPGJMDYRCNUIX-JOYOIKCWSA-N 1 1 345.808 1.573 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000590012824 449098495 /nfs/dbraw/zinc/09/84/95/449098495.db2.gz ZFXUMGXFKWYZIS-BBRMVZONSA-N 1 1 330.388 1.120 20 5 EDBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595678109 449115684 /nfs/dbraw/zinc/11/56/84/449115684.db2.gz QPBLSPZUGHTOKU-KFWWJZLASA-N 1 1 338.404 1.817 20 5 EDBDMO C[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1CCO ZINC000595692970 449122171 /nfs/dbraw/zinc/12/21/71/449122171.db2.gz CIPSCNSFZWXVER-XJKSGUPXSA-N 1 1 347.415 1.967 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600006669 449145562 /nfs/dbraw/zinc/14/55/62/449145562.db2.gz BEEPWXAVESWBRI-UHFFFAOYSA-N 1 1 333.388 1.922 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC000595753291 449148529 /nfs/dbraw/zinc/14/85/29/449148529.db2.gz YLHHTXRUQFPNPL-NVXWUHKLSA-N 1 1 336.388 1.571 20 5 EDBDMO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604278185 449200340 /nfs/dbraw/zinc/20/03/40/449200340.db2.gz OEHVBNWLTNIWMV-VIFPVBQESA-N 1 1 333.797 1.621 20 5 EDBDMO C[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604278185 449200342 /nfs/dbraw/zinc/20/03/42/449200342.db2.gz OEHVBNWLTNIWMV-VIFPVBQESA-N 1 1 333.797 1.621 20 5 EDBDMO COC(=O)[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000595851040 449207518 /nfs/dbraw/zinc/20/75/18/449207518.db2.gz SYRKGPNMXNHKCH-XBXGTLAGSA-N 1 1 347.371 1.367 20 5 EDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000595851040 449207524 /nfs/dbraw/zinc/20/75/24/449207524.db2.gz SYRKGPNMXNHKCH-XBXGTLAGSA-N 1 1 347.371 1.367 20 5 EDBDMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000601851011 449183230 /nfs/dbraw/zinc/18/32/30/449183230.db2.gz QWDYUWVVTWOLQA-OAHLLOKOSA-N 1 1 343.387 1.490 20 5 EDBDMO O=C1CCCN1C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595831660 449195261 /nfs/dbraw/zinc/19/52/61/449195261.db2.gz MACCUCVYDZCABS-CQSZACIVSA-N 1 1 333.388 1.918 20 5 EDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000604492564 449238516 /nfs/dbraw/zinc/23/85/16/449238516.db2.gz PVCMJKODTJDSAQ-JTQLQIEISA-N 1 1 346.343 1.895 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593877114 449255910 /nfs/dbraw/zinc/25/59/10/449255910.db2.gz XTBBUJZVTJFVKH-UHFFFAOYSA-N 1 1 337.376 1.483 20 5 EDBDMO C[N@@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000601979893 449260373 /nfs/dbraw/zinc/26/03/73/449260373.db2.gz PFBRSGYKRFWHCP-JTQLQIEISA-N 1 1 330.182 1.470 20 5 EDBDMO C[N@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000601979893 449260377 /nfs/dbraw/zinc/26/03/77/449260377.db2.gz PFBRSGYKRFWHCP-JTQLQIEISA-N 1 1 330.182 1.470 20 5 EDBDMO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@@H]1C ZINC000593528564 449327094 /nfs/dbraw/zinc/32/70/94/449327094.db2.gz NHMFPTKRGQNRCR-RYUDHWBXSA-N 1 1 342.421 1.531 20 5 EDBDMO Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c(N2CCCC2)[nH+]1 ZINC000611572234 449341847 /nfs/dbraw/zinc/34/18/47/449341847.db2.gz OXWQCVFCEPNHQB-UHFFFAOYSA-N 1 1 344.375 1.411 20 5 EDBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596128410 449378476 /nfs/dbraw/zinc/37/84/76/449378476.db2.gz HDVJCRFXESIPSJ-LBPRGKRZSA-N 1 1 329.360 1.974 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nc(CN3CC[N@H+]4C[C@H](O)C[C@H]4C3)co2)cc1 ZINC000594025491 449330010 /nfs/dbraw/zinc/33/00/10/449330010.db2.gz NTRHBVUQTOVAGY-JKSUJKDBSA-N 1 1 344.371 1.501 20 5 EDBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594228822 449401037 /nfs/dbraw/zinc/40/10/37/449401037.db2.gz FPVNFBNMRQVLFL-UONOGXRCSA-N 1 1 336.396 1.107 20 5 EDBDMO COc1cc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000598454997 449404761 /nfs/dbraw/zinc/40/47/61/449404761.db2.gz YMVYYTFVJYQVLG-CQSZACIVSA-N 1 1 349.387 1.275 20 5 EDBDMO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000600623902 449464869 /nfs/dbraw/zinc/46/48/69/449464869.db2.gz STDAVFIQZBRSCM-IXDOHACOSA-N 1 1 347.415 1.895 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598598886 449484860 /nfs/dbraw/zinc/48/48/60/449484860.db2.gz FOYOZJWMMXKCEM-LBPRGKRZSA-N 1 1 339.417 1.727 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598598886 449484864 /nfs/dbraw/zinc/48/48/64/449484864.db2.gz FOYOZJWMMXKCEM-LBPRGKRZSA-N 1 1 339.417 1.727 20 5 EDBDMO CC(C)c1ccc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594393453 449489054 /nfs/dbraw/zinc/48/90/54/449489054.db2.gz NKIOKZSGKJXBSE-UONOGXRCSA-N 1 1 333.388 1.609 20 5 EDBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393400 449489290 /nfs/dbraw/zinc/48/92/90/449489290.db2.gz MFPDGSMOBUNGRJ-NWDGAFQWSA-N 1 1 339.779 1.448 20 5 EDBDMO COC(=O)c1ccnc(N2CCC3(CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000598609391 449491431 /nfs/dbraw/zinc/49/14/31/449491431.db2.gz IGMQRTMFRZBYMI-UHFFFAOYSA-N 1 1 334.376 1.841 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000598643993 449515500 /nfs/dbraw/zinc/51/55/00/449515500.db2.gz VCOFUDDLOXDEQD-CQSZACIVSA-N 1 1 336.373 1.051 20 5 EDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000617352611 449571254 /nfs/dbraw/zinc/57/12/54/449571254.db2.gz CHKMNLLNIIPZEW-LBPRGKRZSA-N 1 1 337.376 1.444 20 5 EDBDMO Cc1c(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000596634833 449580057 /nfs/dbraw/zinc/58/00/57/449580057.db2.gz DGKJFGHYFTWDEB-CQSZACIVSA-N 1 1 348.403 1.966 20 5 EDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598715244 449558930 /nfs/dbraw/zinc/55/89/30/449558930.db2.gz NMUBIMNKRKHGFS-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)nc2c1 ZINC000594615265 449595348 /nfs/dbraw/zinc/59/53/48/449595348.db2.gz QUTVHZNMJYYNBM-CQSZACIVSA-N 1 1 345.403 1.814 20 5 EDBDMO CN(Cc1cn(C)nc1[N+](=O)[O-])CC(C)(C)C[NH+]1CCOCC1 ZINC000602480104 449623624 /nfs/dbraw/zinc/62/36/24/449623624.db2.gz SSVNXSNYFYPXRF-UHFFFAOYSA-N 1 1 325.413 1.119 20 5 EDBDMO Cn1cc(C[N@H+](C)CC(C)(C)CN2CCOCC2)c([N+](=O)[O-])n1 ZINC000602480104 449623630 /nfs/dbraw/zinc/62/36/30/449623630.db2.gz SSVNXSNYFYPXRF-UHFFFAOYSA-N 1 1 325.413 1.119 20 5 EDBDMO Cn1cc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c([N+](=O)[O-])n1 ZINC000602480104 449623635 /nfs/dbraw/zinc/62/36/35/449623635.db2.gz SSVNXSNYFYPXRF-UHFFFAOYSA-N 1 1 325.413 1.119 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@H]21 ZINC000594765584 449679692 /nfs/dbraw/zinc/67/96/92/449679692.db2.gz XBEYXFHDEAGBQL-NWDGAFQWSA-N 1 1 340.405 1.095 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000598897556 449635833 /nfs/dbraw/zinc/63/58/33/449635833.db2.gz GSVWNBQQPZGEHW-AAEUAGOBSA-N 1 1 349.391 1.315 20 5 EDBDMO C[NH+]1CCN(CCCCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600995558 449641393 /nfs/dbraw/zinc/64/13/93/449641393.db2.gz IQEIYKSVHCHDFL-UHFFFAOYSA-N 1 1 338.383 1.491 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594801848 449713889 /nfs/dbraw/zinc/71/38/89/449713889.db2.gz UCWJDZXDRKLHIR-LLVKDONJSA-N 1 1 327.406 1.746 20 5 EDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000601167871 449730558 /nfs/dbraw/zinc/73/05/58/449730558.db2.gz HMWHROKRCPUJEO-GFCCVEGCSA-N 1 1 333.314 1.879 20 5 EDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCc2[nH+]ccn2C1 ZINC000601107856 449693563 /nfs/dbraw/zinc/69/35/63/449693563.db2.gz BQBCODDRLZHAED-ZETCQYMHSA-N 1 1 330.270 1.971 20 5 EDBDMO C[N@@H+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](CO)C1 ZINC000602716326 449766220 /nfs/dbraw/zinc/76/62/20/449766220.db2.gz TUPSSNHFNMDLPW-OAHLLOKOSA-N 1 1 331.372 1.963 20 5 EDBDMO C[N@H+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](CO)C1 ZINC000602716326 449766225 /nfs/dbraw/zinc/76/62/25/449766225.db2.gz TUPSSNHFNMDLPW-OAHLLOKOSA-N 1 1 331.372 1.963 20 5 EDBDMO CN1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](CO)C1 ZINC000602716326 449766232 /nfs/dbraw/zinc/76/62/32/449766232.db2.gz TUPSSNHFNMDLPW-OAHLLOKOSA-N 1 1 331.372 1.963 20 5 EDBDMO CN1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](CO)C1 ZINC000602716326 449766234 /nfs/dbraw/zinc/76/62/34/449766234.db2.gz TUPSSNHFNMDLPW-OAHLLOKOSA-N 1 1 331.372 1.963 20 5 EDBDMO NS(=O)(=O)c1cccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000612657666 449818702 /nfs/dbraw/zinc/81/87/02/449818702.db2.gz QJUCACNOJOUROS-LLVKDONJSA-N 1 1 340.405 1.138 20 5 EDBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602815266 449828369 /nfs/dbraw/zinc/82/83/69/449828369.db2.gz FGUYYNFIDPELEI-OLZOCXBDSA-N 1 1 340.380 1.142 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000602819994 449832409 /nfs/dbraw/zinc/83/24/09/449832409.db2.gz WEMMQWGWCQZWFM-PWSUYJOCSA-N 1 1 336.314 1.735 20 5 EDBDMO C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CC(C)(C)O ZINC000614832294 449838745 /nfs/dbraw/zinc/83/87/45/449838745.db2.gz KYAPUDHRDPWFBY-GFCCVEGCSA-N 1 1 345.403 1.819 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000612788789 449879175 /nfs/dbraw/zinc/87/91/75/449879175.db2.gz OOZUAASGLSVRIJ-GFCCVEGCSA-N 1 1 325.390 1.357 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000601342476 449851221 /nfs/dbraw/zinc/85/12/21/449851221.db2.gz CYGBDLNBMSDZRB-UHFFFAOYSA-N 1 1 331.369 1.415 20 5 EDBDMO CC(C)N1CCC[C@H]([NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C1=O ZINC000602965485 449967345 /nfs/dbraw/zinc/96/73/45/449967345.db2.gz GRQLHLJCFYGKJX-RDJZCZTQSA-N 1 1 335.404 1.791 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000601447388 449970425 /nfs/dbraw/zinc/97/04/25/449970425.db2.gz OOOSDFKWIDVWLT-AWEZNQCLSA-N 1 1 339.417 1.618 20 5 EDBDMO CNc1cc2c(nn1)CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000609258038 449986191 /nfs/dbraw/zinc/98/61/91/449986191.db2.gz JDOUOQAEHMMATD-UHFFFAOYSA-N 1 1 343.387 2.254 20 5 EDBDMO CNc1cc2c(nn1)CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000609258038 449986198 /nfs/dbraw/zinc/98/61/98/449986198.db2.gz JDOUOQAEHMMATD-UHFFFAOYSA-N 1 1 343.387 2.254 20 5 EDBDMO CCOC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000599621045 450109254 /nfs/dbraw/zinc/10/92/54/450109254.db2.gz ZULBWUGPGZDBHV-CYBMUJFWSA-N 1 1 337.376 1.661 20 5 EDBDMO CCOC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000599621045 450109259 /nfs/dbraw/zinc/10/92/59/450109259.db2.gz ZULBWUGPGZDBHV-CYBMUJFWSA-N 1 1 337.376 1.661 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000597624926 450153405 /nfs/dbraw/zinc/15/34/05/450153405.db2.gz GDLYQIAFIXGSPV-CQSZACIVSA-N 1 1 332.404 1.331 20 5 EDBDMO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599695966 450160647 /nfs/dbraw/zinc/16/06/47/450160647.db2.gz MEAMMWPYDCMHSW-GNXNZQSNSA-N 1 1 349.387 1.856 20 5 EDBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599695966 450160651 /nfs/dbraw/zinc/16/06/51/450160651.db2.gz MEAMMWPYDCMHSW-GNXNZQSNSA-N 1 1 349.387 1.856 20 5 EDBDMO CCc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCOC)C2)cc1[N+](=O)[O-] ZINC000610437123 450217742 /nfs/dbraw/zinc/21/77/42/450217742.db2.gz AJIRNQDORPFUGV-HNNXBMFYSA-N 1 1 335.404 1.998 20 5 EDBDMO Cc1cc(OCC(=O)N2CC(C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000597681477 450191950 /nfs/dbraw/zinc/19/19/50/450191950.db2.gz CRESOANVBLBZKH-UHFFFAOYSA-N 1 1 349.387 1.073 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832772 450241110 /nfs/dbraw/zinc/24/11/10/450241110.db2.gz JLSYAKSWARAMOK-UHFFFAOYSA-N 1 1 347.375 1.579 20 5 EDBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)s1 ZINC000603421720 450293887 /nfs/dbraw/zinc/29/38/87/450293887.db2.gz ATDWLNAVOUCYCX-LBPRGKRZSA-N 1 1 341.437 1.260 20 5 EDBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)s1 ZINC000603421720 450293893 /nfs/dbraw/zinc/29/38/93/450293893.db2.gz ATDWLNAVOUCYCX-LBPRGKRZSA-N 1 1 341.437 1.260 20 5 EDBDMO CCCC(=O)NC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000603878365 450363842 /nfs/dbraw/zinc/36/38/42/450363842.db2.gz NNGSKZHNCUKREU-UHFFFAOYSA-N 1 1 348.403 1.574 20 5 EDBDMO COc1ccc(CC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000610913670 450379890 /nfs/dbraw/zinc/37/98/90/450379890.db2.gz PPGLENPNEYCGHU-AWEZNQCLSA-N 1 1 349.387 1.079 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[C@H](C)[N@H+]1C ZINC000619581414 450512023 /nfs/dbraw/zinc/51/20/23/450512023.db2.gz DCZBJZQZBWCAAO-HUBLWGQQSA-N 1 1 348.403 1.312 20 5 EDBDMO CSC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000187895554 533717245 /nfs/dbraw/zinc/71/72/45/533717245.db2.gz HFZHMQRPBRRHTA-AWEZNQCLSA-N 1 1 339.417 1.077 20 5 EDBDMO C[N@@H+]1CCO[C@@H](CSCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000567351243 491019061 /nfs/dbraw/zinc/01/90/61/491019061.db2.gz BHEUFVLNDJWARC-GFCCVEGCSA-N 1 1 325.390 1.258 20 5 EDBDMO C[N@H+]1CCO[C@@H](CSCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000567351243 491019062 /nfs/dbraw/zinc/01/90/62/491019062.db2.gz BHEUFVLNDJWARC-GFCCVEGCSA-N 1 1 325.390 1.258 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000602776854 491019406 /nfs/dbraw/zinc/01/94/06/491019406.db2.gz AUAYSKBTLGPPNZ-HSZRJFAPSA-N 1 1 336.417 1.969 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000602776854 491019407 /nfs/dbraw/zinc/01/94/07/491019407.db2.gz AUAYSKBTLGPPNZ-HSZRJFAPSA-N 1 1 336.417 1.969 20 5 EDBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358701649 518189787 /nfs/dbraw/zinc/18/97/87/518189787.db2.gz HMYCLRYRQZQHLZ-LRDDRELGSA-N 1 1 336.392 1.330 20 5 EDBDMO CCC[N@@H+](CC)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000174643344 527966527 /nfs/dbraw/zinc/96/65/27/527966527.db2.gz ZSTJDJQZOCKXOB-UHFFFAOYSA-N 1 1 327.356 1.961 20 5 EDBDMO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183686344 528373887 /nfs/dbraw/zinc/37/38/87/528373887.db2.gz ZCCPNUVQTWMCDC-AWEZNQCLSA-N 1 1 327.406 1.417 20 5 EDBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183686344 528373895 /nfs/dbraw/zinc/37/38/95/528373895.db2.gz ZCCPNUVQTWMCDC-AWEZNQCLSA-N 1 1 327.406 1.417 20 5 EDBDMO CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174664885 528800994 /nfs/dbraw/zinc/80/09/94/528800994.db2.gz SLDSFRCLIMTABS-CQSZACIVSA-N 1 1 348.359 1.403 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000154230847 529081058 /nfs/dbraw/zinc/08/10/58/529081058.db2.gz KLTJBMAMOXKOOZ-LLVKDONJSA-N 1 1 345.396 1.805 20 5 EDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332251753 535231685 /nfs/dbraw/zinc/23/16/85/535231685.db2.gz BUNYPVQZPWCXIQ-QGZVFWFLSA-N 1 1 346.431 1.756 20 5 EDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332236909 535233014 /nfs/dbraw/zinc/23/30/14/535233014.db2.gz HBCFBSIBJGENHZ-QGZVFWFLSA-N 1 1 346.431 1.756 20 5 EDBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245532145 535498114 /nfs/dbraw/zinc/49/81/14/535498114.db2.gz HUFGTYRLWUYVRY-RISCZKNCSA-N 1 1 327.406 1.669 20 5 EDBDMO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245532145 535498117 /nfs/dbraw/zinc/49/81/17/535498117.db2.gz HUFGTYRLWUYVRY-RISCZKNCSA-N 1 1 327.406 1.669 20 5 EDBDMO C[NH2+][C@@H](C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000262033715 536337841 /nfs/dbraw/zinc/33/78/41/536337841.db2.gz FHHAXJZUXVBJIB-CYBMUJFWSA-N 1 1 347.331 1.014 20 5 EDBDMO C[S@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000741748409 579426953 /nfs/dbraw/zinc/42/69/53/579426953.db2.gz HQELMWDQNFSFDL-DEOSSOPVSA-N 1 1 348.428 1.644 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742197326 579439784 /nfs/dbraw/zinc/43/97/84/579439784.db2.gz QYPYJDGXYMTQFF-CYBMUJFWSA-N 1 1 332.404 1.971 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000742197326 579439786 /nfs/dbraw/zinc/43/97/86/579439786.db2.gz QYPYJDGXYMTQFF-CYBMUJFWSA-N 1 1 332.404 1.971 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(Cn3cc(Br)c([N+](=O)[O-])n3)C2)C1 ZINC000793746061 578509804 /nfs/dbraw/zinc/50/98/04/578509804.db2.gz PVUWJCYVMNTOGO-LBPRGKRZSA-N 1 1 344.213 1.539 20 5 EDBDMO CC[N@H+](C[C@@H]1CCOC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000738076240 578523519 /nfs/dbraw/zinc/52/35/19/578523519.db2.gz MKCCUCCWQKRITI-NSHDSACASA-N 1 1 333.344 1.507 20 5 EDBDMO CC[N@@H+](C[C@@H]1CCOC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000738076240 578523520 /nfs/dbraw/zinc/52/35/20/578523520.db2.gz MKCCUCCWQKRITI-NSHDSACASA-N 1 1 333.344 1.507 20 5 EDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000729919446 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QCTMGWPJACXCKX-QGZVFWFLSA-N 1 1 341.371 1.961 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000777567835 580444994 /nfs/dbraw/zinc/44/49/94/580444994.db2.gz UJMGTWPULUURLO-SNVBAGLBSA-N 1 1 349.313 1.366 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000777567835 580444995 /nfs/dbraw/zinc/44/49/95/580444995.db2.gz UJMGTWPULUURLO-SNVBAGLBSA-N 1 1 349.313 1.366 20 5 EDBDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756988929 579961557 /nfs/dbraw/zinc/96/15/57/579961557.db2.gz MBXYBKFHAIYZHE-CYBMUJFWSA-N 1 1 327.768 1.585 20 5 EDBDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756988929 579961558 /nfs/dbraw/zinc/96/15/58/579961558.db2.gz MBXYBKFHAIYZHE-CYBMUJFWSA-N 1 1 327.768 1.585 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1F ZINC000758355718 579980688 /nfs/dbraw/zinc/98/06/88/579980688.db2.gz AEPGEULALOIQQV-RYUDHWBXSA-N 1 1 338.339 1.719 20 5 EDBDMO 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347.415 1.877 20 5 EDBDMO Cn1nc2c(c1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000922304630 710789316 /nfs/dbraw/zinc/78/93/16/710789316.db2.gz AABJOWCMKNAULQ-KRWDZBQOSA-N 1 1 330.388 1.814 20 5 EDBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000056119697 214360227 /nfs/dbraw/zinc/36/02/27/214360227.db2.gz KHDUQSCTHBPIBA-UHFFFAOYSA-N 1 1 339.417 1.452 20 5 EDBDMO CCc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000174289985 529598401 /nfs/dbraw/zinc/59/84/01/529598401.db2.gz PAEFXCOBDXTLPY-QWHCGFSZSA-N 1 1 335.404 1.684 20 5 EDBDMO CCc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000174289985 529598406 /nfs/dbraw/zinc/59/84/06/529598406.db2.gz PAEFXCOBDXTLPY-QWHCGFSZSA-N 1 1 335.404 1.684 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000102184054 219189895 /nfs/dbraw/zinc/18/98/95/219189895.db2.gz KLARQNGCONKQMC-UHFFFAOYSA-N 1 1 327.406 1.666 20 5 EDBDMO CC[N@@H+](CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])C(C)C ZINC000102394123 219200283 /nfs/dbraw/zinc/20/02/83/219200283.db2.gz LLHFWJYFRUSHBF-UHFFFAOYSA-N 1 1 344.437 1.645 20 5 EDBDMO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066879298 215089746 /nfs/dbraw/zinc/08/97/46/215089746.db2.gz YETNWISUEQBHQB-UHFFFAOYSA-N 1 1 341.433 1.841 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1OC ZINC000104189143 219358257 /nfs/dbraw/zinc/35/82/57/219358257.db2.gz FNUQCAWBXVIICH-LLVKDONJSA-N 1 1 337.376 1.684 20 5 EDBDMO Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000090458602 138278378 /nfs/dbraw/zinc/27/83/78/138278378.db2.gz XRESTGCZZYIDCV-ZIAGYGMSSA-N 1 1 333.388 1.886 20 5 EDBDMO Cc1c(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000090458602 138278379 /nfs/dbraw/zinc/27/83/79/138278379.db2.gz XRESTGCZZYIDCV-ZIAGYGMSSA-N 1 1 333.388 1.886 20 5 EDBDMO C[NH+]1CCN(C(=O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000093191291 138292249 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COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246001407 139092167 /nfs/dbraw/zinc/09/21/67/139092167.db2.gz DIWITYBDTUNPES-DOMZBBRYSA-N 1 1 347.371 1.585 20 5 EDBDMO COC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246001407 139092168 /nfs/dbraw/zinc/09/21/68/139092168.db2.gz DIWITYBDTUNPES-DOMZBBRYSA-N 1 1 347.371 1.585 20 5 EDBDMO CCOCCCN1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000246374242 139106023 /nfs/dbraw/zinc/10/60/23/139106023.db2.gz JPSSONWIEBQCIJ-HOCLYGCPSA-N 1 1 339.440 1.518 20 5 EDBDMO CC(C)C[C@]1(CO)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249052017 139183923 /nfs/dbraw/zinc/18/39/23/139183923.db2.gz IHFHXXFROFWZGH-CABCVRRESA-N 1 1 326.397 1.025 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000249201487 139189143 /nfs/dbraw/zinc/18/91/43/139189143.db2.gz QZLCYUHLTJDDRE-WFASDCNBSA-N 1 1 346.387 1.476 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261702704 139218971 /nfs/dbraw/zinc/21/89/71/139218971.db2.gz DAHPGSXQRULCDY-AWEZNQCLSA-N 1 1 349.778 1.618 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416404439 251067153 /nfs/dbraw/zinc/06/71/53/251067153.db2.gz AFLNAZPDLCEVIX-ZDUSSCGKSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416404439 251067157 /nfs/dbraw/zinc/06/71/57/251067157.db2.gz AFLNAZPDLCEVIX-ZDUSSCGKSA-N 1 1 341.433 1.926 20 5 EDBDMO C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000420415440 251712111 /nfs/dbraw/zinc/71/21/11/251712111.db2.gz IEORXZBBQRFJFE-VXGBXAGGSA-N 1 1 327.406 1.149 20 5 EDBDMO COc1ccnc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000424310809 252194461 /nfs/dbraw/zinc/19/44/61/252194461.db2.gz SWLCXKPBZFQPKM-LLVKDONJSA-N 1 1 345.359 1.900 20 5 EDBDMO COCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000154671516 532960390 /nfs/dbraw/zinc/96/03/90/532960390.db2.gz OFCNXVFCBZANDK-UHFFFAOYSA-N 1 1 344.371 1.547 20 5 EDBDMO C[C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000493630552 255217210 /nfs/dbraw/zinc/21/72/10/255217210.db2.gz ZNBSATHEYJTNQT-AFNCTOJWSA-N 1 1 332.404 1.360 20 5 EDBDMO Cc1nn(C[NH+]2CCC3(COC(=O)N3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000495237638 255274871 /nfs/dbraw/zinc/27/48/71/255274871.db2.gz MJQFHNYZZFTTPH-UHFFFAOYSA-N 1 1 345.359 1.785 20 5 EDBDMO Nc1nc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000264333034 139397956 /nfs/dbraw/zinc/39/79/56/139397956.db2.gz TYVUDOCYHYOTCZ-CQSZACIVSA-N 1 1 342.403 1.944 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000416284602 304301459 /nfs/dbraw/zinc/30/14/59/304301459.db2.gz ATTJFFXSRAWDAU-UTJXIGIESA-N 1 1 347.415 1.612 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000416284602 304301460 /nfs/dbraw/zinc/30/14/60/304301460.db2.gz ATTJFFXSRAWDAU-UTJXIGIESA-N 1 1 347.415 1.612 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268169317 139732415 /nfs/dbraw/zinc/73/24/15/139732415.db2.gz PQAPTPUKMCJKOV-RISCZKNCSA-N 1 1 339.417 1.664 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000271357006 140284392 /nfs/dbraw/zinc/28/43/92/140284392.db2.gz FSQPNBKUJRSHMB-OCCSQVGLSA-N 1 1 343.387 1.721 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000332444295 141182744 /nfs/dbraw/zinc/18/27/44/141182744.db2.gz JKVFQPIAZMMHBL-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000332444295 141182745 /nfs/dbraw/zinc/18/27/45/141182745.db2.gz JKVFQPIAZMMHBL-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO Cn1nccc1[C@@H]1[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)CCC[N@H+]1C ZINC000345166020 143060109 /nfs/dbraw/zinc/06/01/09/143060109.db2.gz VOBFCEPDJWFFNH-ABAIWWIYSA-N 1 1 347.375 1.734 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000345873690 143142030 /nfs/dbraw/zinc/14/20/30/143142030.db2.gz IAWUKACGZKPNGE-QWHCGFSZSA-N 1 1 337.424 1.869 20 5 EDBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000346511505 143212432 /nfs/dbraw/zinc/21/24/32/143212432.db2.gz SMFJUWLIHOLZMK-HNNXBMFYSA-N 1 1 342.355 1.742 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000346511505 143212433 /nfs/dbraw/zinc/21/24/33/143212433.db2.gz SMFJUWLIHOLZMK-HNNXBMFYSA-N 1 1 342.355 1.742 20 5 EDBDMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000346685087 143231582 /nfs/dbraw/zinc/23/15/82/143231582.db2.gz IJHKYSJFVSHXFL-RISCZKNCSA-N 1 1 347.371 1.367 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000346685087 143231583 /nfs/dbraw/zinc/23/15/83/143231583.db2.gz IJHKYSJFVSHXFL-RISCZKNCSA-N 1 1 347.371 1.367 20 5 EDBDMO O=C([C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CCNCC1 ZINC000347197956 143293779 /nfs/dbraw/zinc/29/37/79/143293779.db2.gz IIRUBDGFULVFMC-HNNXBMFYSA-N 1 1 332.404 1.239 20 5 EDBDMO O=C([C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CCNCC1 ZINC000347197956 143293780 /nfs/dbraw/zinc/29/37/80/143293780.db2.gz IIRUBDGFULVFMC-HNNXBMFYSA-N 1 1 332.404 1.239 20 5 EDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347304375 143306068 /nfs/dbraw/zinc/30/60/68/143306068.db2.gz OEPCHWFLEJVTTJ-ZDUSSCGKSA-N 1 1 340.355 1.654 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCSC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000347384238 143315267 /nfs/dbraw/zinc/31/52/67/143315267.db2.gz XTPUUJFCOJSQPF-GFCCVEGCSA-N 1 1 342.417 1.782 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000104747886 292171942 /nfs/dbraw/zinc/17/19/42/292171942.db2.gz SQRMTYLYJJKSGV-GFCCVEGCSA-N 1 1 327.406 1.475 20 5 EDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000341066213 149060753 /nfs/dbraw/zinc/06/07/53/149060753.db2.gz KFZHOQRSARUMNA-BETUJISGSA-N 1 1 336.392 1.136 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352666177 149109471 /nfs/dbraw/zinc/10/94/71/149109471.db2.gz GUNSVYOPPGOKIA-UONOGXRCSA-N 1 1 337.376 1.777 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000353055728 149268323 /nfs/dbraw/zinc/26/83/23/149268323.db2.gz GXFNRCDQFOIXKJ-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1cc(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416977512 304359848 /nfs/dbraw/zinc/35/98/48/304359848.db2.gz TYYDWXXRYYDJKU-STQMWFEESA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1cc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416977512 304359850 /nfs/dbraw/zinc/35/98/50/304359850.db2.gz TYYDWXXRYYDJKU-STQMWFEESA-N 1 1 336.392 1.822 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000354921762 150033141 /nfs/dbraw/zinc/03/31/41/150033141.db2.gz AJIFMDRWMOXKHC-FZMZJTMJSA-N 1 1 338.360 1.349 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000355726526 150376932 /nfs/dbraw/zinc/37/69/32/150376932.db2.gz KLKNIUSKSVYWNU-MRXNPFEDSA-N 1 1 338.360 1.493 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000357426856 151029866 /nfs/dbraw/zinc/02/98/66/151029866.db2.gz ZWVDMNUDCPTGQV-OCCSQVGLSA-N 1 1 348.403 1.314 20 5 EDBDMO CS(=O)(=O)c1cccc(N[C@H]2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000357565158 151068903 /nfs/dbraw/zinc/06/89/03/151068903.db2.gz JZIWRXZXFUDHRA-VIFPVBQESA-N 1 1 336.373 1.691 20 5 EDBDMO CS(=O)(=O)c1cccc(N[C@H]2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-] ZINC000357565158 151068905 /nfs/dbraw/zinc/06/89/05/151068905.db2.gz JZIWRXZXFUDHRA-VIFPVBQESA-N 1 1 336.373 1.691 20 5 EDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000361069716 152294452 /nfs/dbraw/zinc/29/44/52/152294452.db2.gz TTWDAXAOAXMQCY-NWDGAFQWSA-N 1 1 333.344 1.680 20 5 EDBDMO C[C@]1([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000364354727 153215533 /nfs/dbraw/zinc/21/55/33/153215533.db2.gz AHMADEBGYJZZQN-MLGOLLRUSA-N 1 1 332.360 1.405 20 5 EDBDMO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364959776 153383913 /nfs/dbraw/zinc/38/39/13/153383913.db2.gz YDGBSRFJPJEJHJ-QAETUUGQSA-N 1 1 331.416 1.850 20 5 EDBDMO Cc1cccc(NC2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)[nH+]1 ZINC000369456884 155042383 /nfs/dbraw/zinc/04/23/83/155042383.db2.gz HGBLSHPEZCXTDW-UHFFFAOYSA-N 1 1 344.375 1.598 20 5 EDBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000377259493 157906890 /nfs/dbraw/zinc/90/68/90/157906890.db2.gz LVDHWQVSELIEPU-CQSZACIVSA-N 1 1 347.375 1.197 20 5 EDBDMO Cc1cc(N2CC[N@@H+](C[C@H]3CN(C)CCO3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000377918851 158028919 /nfs/dbraw/zinc/02/89/19/158028919.db2.gz SIKKQXSLGUENIC-LSDHHAIUSA-N 1 1 349.435 1.139 20 5 EDBDMO Cc1cc(N2CC[N@H+](C[C@H]3CN(C)CCO3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000377918851 158028921 /nfs/dbraw/zinc/02/89/21/158028921.db2.gz SIKKQXSLGUENIC-LSDHHAIUSA-N 1 1 349.435 1.139 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000378315202 158138299 /nfs/dbraw/zinc/13/82/99/158138299.db2.gz RGBIUERTMASEBQ-ZDUSSCGKSA-N 1 1 329.360 1.426 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352512604 162222483 /nfs/dbraw/zinc/22/24/83/162222483.db2.gz PSGTVZSDKCKUQG-ZDUSSCGKSA-N 1 1 327.406 1.748 20 5 EDBDMO CCN1CC[NH+](CCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000079975690 287304560 /nfs/dbraw/zinc/30/45/60/287304560.db2.gz ZIAQGYRBXLNDAB-UHFFFAOYSA-N 1 1 348.447 1.974 20 5 EDBDMO CC(C)COC[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122271440 287378822 /nfs/dbraw/zinc/37/88/22/287378822.db2.gz DQROFYMMYIVOTN-ZFWWWQNUSA-N 1 1 338.408 1.510 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000186942036 533684212 /nfs/dbraw/zinc/68/42/12/533684212.db2.gz AGWRGTMYQHXMDD-NWDGAFQWSA-N 1 1 346.387 1.603 20 5 EDBDMO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cnn(C)c1 ZINC000273275367 268012683 /nfs/dbraw/zinc/01/26/83/268012683.db2.gz IAXMENWSVWNSSP-VIFPVBQESA-N 1 1 347.331 1.346 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273385401 268038203 /nfs/dbraw/zinc/03/82/03/268038203.db2.gz JDHMADRPVFDCHK-JTQLQIEISA-N 1 1 326.328 1.576 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000275146783 268287025 /nfs/dbraw/zinc/28/70/25/268287025.db2.gz QXAPKVBNPUSERS-UHFFFAOYSA-N 1 1 336.392 1.096 20 5 EDBDMO COCCO[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000275508086 268353156 /nfs/dbraw/zinc/35/31/56/268353156.db2.gz HQZDTIJSAVDULG-ZIAGYGMSSA-N 1 1 340.376 1.072 20 5 EDBDMO NS(=O)(=O)c1cccc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000273438869 273039745 /nfs/dbraw/zinc/03/97/45/273039745.db2.gz 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CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284839241 274353811 /nfs/dbraw/zinc/35/38/11/274353811.db2.gz QWOZQIGEXPGADY-DOTOQJQBSA-N 1 1 335.404 1.898 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284839241 274353813 /nfs/dbraw/zinc/35/38/13/274353813.db2.gz QWOZQIGEXPGADY-DOTOQJQBSA-N 1 1 335.404 1.898 20 5 EDBDMO O=C1[C@@H](N2CCC[N@H+](C3CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000172543336 275027601 /nfs/dbraw/zinc/02/76/01/275027601.db2.gz ILOPIAJNUWHMBO-KRWDZBQOSA-N 1 1 344.415 1.870 20 5 EDBDMO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](CCCO)CC1 ZINC000263755329 275032905 /nfs/dbraw/zinc/03/29/05/275032905.db2.gz HIWFPRPUKKUSTA-UHFFFAOYSA-N 1 1 344.209 1.862 20 5 EDBDMO CCCn1cc(C[N@@H+]2CCCN(c3c([N+](=O)[O-])ncn3C)CC2)cn1 ZINC000264388119 276058932 /nfs/dbraw/zinc/05/89/32/276058932.db2.gz ZWKPHBMVDBKWSM-UHFFFAOYSA-N 1 1 347.423 1.647 20 5 EDBDMO CCCn1cc(C[N@H+]2CCCN(c3c([N+](=O)[O-])ncn3C)CC2)cn1 ZINC000264388119 276058935 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COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000174360003 441916311 /nfs/dbraw/zinc/91/63/11/441916311.db2.gz MHXRZNDEEUTCBF-ZDUSSCGKSA-N 1 1 349.387 1.233 20 5 EDBDMO C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000124521814 441933683 /nfs/dbraw/zinc/93/36/83/441933683.db2.gz ADFSHDQFPHICSD-UHFFFAOYSA-N 1 1 333.797 1.574 20 5 EDBDMO C[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000124521814 441933688 /nfs/dbraw/zinc/93/36/88/441933688.db2.gz ADFSHDQFPHICSD-UHFFFAOYSA-N 1 1 333.797 1.574 20 5 EDBDMO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000150719759 441935518 /nfs/dbraw/zinc/93/55/18/441935518.db2.gz QCTBARXYPIKBEU-LLVKDONJSA-N 1 1 341.795 1.946 20 5 EDBDMO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000150734523 441939640 /nfs/dbraw/zinc/93/96/40/441939640.db2.gz URWLFJWXFVZQMC-NSHDSACASA-N 1 1 347.375 1.169 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)c1C ZINC000078572649 441945940 /nfs/dbraw/zinc/94/59/40/441945940.db2.gz BEALKKKXWJKPBX-CYBMUJFWSA-N 1 1 341.433 1.832 20 5 EDBDMO NC(=O)C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000175251799 442026015 /nfs/dbraw/zinc/02/60/15/442026015.db2.gz DQERNSKTHYHOSG-NSHDSACASA-N 1 1 345.359 1.732 20 5 EDBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000175251799 442026020 /nfs/dbraw/zinc/02/60/20/442026020.db2.gz DQERNSKTHYHOSG-NSHDSACASA-N 1 1 345.359 1.732 20 5 EDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000162458039 442095256 /nfs/dbraw/zinc/09/52/56/442095256.db2.gz CMNWGYLTVSTZPN-INIZCTEOSA-N 1 1 332.404 1.333 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000126301954 442097122 /nfs/dbraw/zinc/09/71/22/442097122.db2.gz NOYPBYGVDCMLBF-RYUDHWBXSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000126301954 442097124 /nfs/dbraw/zinc/09/71/24/442097124.db2.gz NOYPBYGVDCMLBF-RYUDHWBXSA-N 1 1 339.417 1.807 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000170709495 442251045 /nfs/dbraw/zinc/25/10/45/442251045.db2.gz OLGRWTVFZQXEPK-NSHDSACASA-N 1 1 344.437 1.645 20 5 EDBDMO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000128156231 442248810 /nfs/dbraw/zinc/24/88/10/442248810.db2.gz DIPHMLFBSCHYCZ-HIFRSBDPSA-N 1 1 334.420 1.833 20 5 EDBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000128456445 442267635 /nfs/dbraw/zinc/26/76/35/442267635.db2.gz FLNFBTKYAVXRNC-CHWSQXEVSA-N 1 1 337.351 1.717 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000128456445 442267638 /nfs/dbraw/zinc/26/76/38/442267638.db2.gz FLNFBTKYAVXRNC-CHWSQXEVSA-N 1 1 337.351 1.717 20 5 EDBDMO CC[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000171057346 442305047 /nfs/dbraw/zinc/30/50/47/442305047.db2.gz ASURCEMXNRTSJD-UHFFFAOYSA-N 1 1 334.420 1.974 20 5 EDBDMO C[N@@H+](CC(=O)NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000153495715 442285965 /nfs/dbraw/zinc/28/59/65/442285965.db2.gz XGHILNSBSGSJIA-LBPRGKRZSA-N 1 1 338.433 1.560 20 5 EDBDMO C[C@@]([NH2+]CCn1cc([N+](=O)[O-])cn1)(C(N)=O)c1cccc(Cl)c1 ZINC000177391983 442335607 /nfs/dbraw/zinc/33/56/07/442335607.db2.gz SWKACFGALRYDKR-AWEZNQCLSA-N 1 1 337.767 1.435 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000133591241 442425717 /nfs/dbraw/zinc/42/57/17/442425717.db2.gz GCUNWXJZUSOPEO-YPMHNXCESA-N 1 1 346.387 1.066 20 5 EDBDMO Cn1cc[nH+]c1CC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000178544053 442442891 /nfs/dbraw/zinc/44/28/91/442442891.db2.gz IWOKLFIDWOWQNR-UHFFFAOYSA-N 1 1 332.364 1.006 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)n1 ZINC000191648682 442483708 /nfs/dbraw/zinc/48/37/08/442483708.db2.gz RJMILKQSTJXDPI-OLZOCXBDSA-N 1 1 335.408 1.899 20 5 EDBDMO C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000156817016 442524333 /nfs/dbraw/zinc/52/43/33/442524333.db2.gz SHUHRBWWFJYAOM-DOMZBBRYSA-N 1 1 337.376 1.199 20 5 EDBDMO C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000156817016 442524335 /nfs/dbraw/zinc/52/43/35/442524335.db2.gz SHUHRBWWFJYAOM-DOMZBBRYSA-N 1 1 337.376 1.199 20 5 EDBDMO Cc1[nH+]ccn1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000180013776 442528811 /nfs/dbraw/zinc/52/88/11/442528811.db2.gz YSIFKRZPFROYQS-UHFFFAOYSA-N 1 1 332.316 1.900 20 5 EDBDMO CS(=O)(=O)C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000181768668 442715352 /nfs/dbraw/zinc/71/53/52/442715352.db2.gz OIQDKFHOUPWDHT-ZDUSSCGKSA-N 1 1 338.389 1.167 20 5 EDBDMO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181677241 442709061 /nfs/dbraw/zinc/70/90/61/442709061.db2.gz NIMPOFPBISHRDK-KGLIPLIRSA-N 1 1 349.435 1.951 20 5 EDBDMO CC(C)C(=O)NCC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182329495 442757775 /nfs/dbraw/zinc/75/77/75/442757775.db2.gz CYXIIYWONPLJOO-CYBMUJFWSA-N 1 1 339.392 1.039 20 5 EDBDMO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000188647891 442778362 /nfs/dbraw/zinc/77/83/62/442778362.db2.gz MVWIJLFZIBTPAK-VIIAAUOXSA-N 1 1 347.415 1.912 20 5 EDBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000246938035 442823742 /nfs/dbraw/zinc/82/37/42/442823742.db2.gz ALFWMKAYWDEWCF-MGPQQGTHSA-N 1 1 326.397 1.288 20 5 EDBDMO COCCC[N@@H+](CCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000188933654 442844810 /nfs/dbraw/zinc/84/48/10/442844810.db2.gz IVXREMKRKIWMMO-UHFFFAOYSA-N 1 1 348.403 1.826 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000183148039 442889427 /nfs/dbraw/zinc/88/94/27/442889427.db2.gz KYDYPXFIWVDBKZ-VXGBXAGGSA-N 1 1 337.376 1.635 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000248665113 442914968 /nfs/dbraw/zinc/91/49/68/442914968.db2.gz LSOUENGFFDDGSS-CJNGLKHVSA-N 1 1 343.387 1.986 20 5 EDBDMO C[C@@H](C(=O)NCC[N@H+]1CCCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000189415439 442946651 /nfs/dbraw/zinc/94/66/51/442946651.db2.gz HLPKRFGNMITZRD-GFCCVEGCSA-N 1 1 339.367 1.676 20 5 EDBDMO COc1cc(C(=O)NCCCn2cc[nH+]c2C)cc([N+](=O)[O-])c1OC ZINC000265948281 442980482 /nfs/dbraw/zinc/98/04/82/442980482.db2.gz LLMAQHPCDBGUEA-UHFFFAOYSA-N 1 1 348.359 1.937 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000184311221 443011297 /nfs/dbraw/zinc/01/12/97/443011297.db2.gz ZYOBVNUINOGNOC-GFCCVEGCSA-N 1 1 335.408 1.054 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266055898 443001118 /nfs/dbraw/zinc/00/11/18/443001118.db2.gz BSCWJJXKCJZFSX-AWEZNQCLSA-N 1 1 333.388 1.698 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190086846 443055908 /nfs/dbraw/zinc/05/59/08/443055908.db2.gz UAICYEODGAYCOD-NSHDSACASA-N 1 1 336.392 1.094 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000266381750 443112003 /nfs/dbraw/zinc/11/20/03/443112003.db2.gz IHLPNLKTKJYBRV-AWEZNQCLSA-N 1 1 349.387 1.586 20 5 EDBDMO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266563103 443169082 /nfs/dbraw/zinc/16/90/82/443169082.db2.gz YMVFGNSYJUSDRM-GDBMZVCRSA-N 1 1 330.388 1.950 20 5 EDBDMO CCC[N@@H+](CC)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000266930143 443293848 /nfs/dbraw/zinc/29/38/48/443293848.db2.gz SLHJJLAQEKQPLT-UHFFFAOYSA-N 1 1 337.376 1.828 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272484118 443335310 /nfs/dbraw/zinc/33/53/10/443335310.db2.gz HBTCGPCDFAOSDJ-UHFFFAOYSA-N 1 1 331.319 1.381 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000278601953 443375128 /nfs/dbraw/zinc/37/51/28/443375128.db2.gz QXYZLGAZTZJJTH-GFCCVEGCSA-N 1 1 339.367 1.965 20 5 EDBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCNC1=O ZINC000282485515 443353605 /nfs/dbraw/zinc/35/36/05/443353605.db2.gz VPXYZWYUYFKEAS-CQSZACIVSA-N 1 1 334.376 1.442 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](CC)CCO)c1 ZINC000282972481 443484486 /nfs/dbraw/zinc/48/44/86/443484486.db2.gz FCYQMOICQJFVHM-UHFFFAOYSA-N 1 1 325.365 1.038 20 5 EDBDMO O=C(CC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000282840913 443447511 /nfs/dbraw/zinc/44/75/11/443447511.db2.gz ASZXXHLKBSGPAK-OCCSQVGLSA-N 1 1 346.387 1.666 20 5 EDBDMO O=C(CC[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000282840913 443447514 /nfs/dbraw/zinc/44/75/14/443447514.db2.gz ASZXXHLKBSGPAK-OCCSQVGLSA-N 1 1 346.387 1.666 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])n1C ZINC000267427275 443454085 /nfs/dbraw/zinc/45/40/85/443454085.db2.gz UKVRTFNTLDYEHL-UHFFFAOYSA-N 1 1 337.767 1.978 20 5 EDBDMO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000264978241 443497623 /nfs/dbraw/zinc/49/76/23/443497623.db2.gz JQLJAXQKOHZYDU-JTQLQIEISA-N 1 1 339.348 1.283 20 5 EDBDMO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000264978241 443497627 /nfs/dbraw/zinc/49/76/27/443497627.db2.gz JQLJAXQKOHZYDU-JTQLQIEISA-N 1 1 339.348 1.283 20 5 EDBDMO C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272263932 443572481 /nfs/dbraw/zinc/57/24/81/443572481.db2.gz KNBXBURNQHRZOO-GXTWGEPZSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272263932 443572486 /nfs/dbraw/zinc/57/24/86/443572486.db2.gz KNBXBURNQHRZOO-GXTWGEPZSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272263932 443572490 /nfs/dbraw/zinc/57/24/90/443572490.db2.gz KNBXBURNQHRZOO-GXTWGEPZSA-N 1 1 343.387 1.958 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272369036 443605183 /nfs/dbraw/zinc/60/51/83/443605183.db2.gz GGVRFPZPKOOHJG-WFASDCNBSA-N 1 1 339.417 1.618 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272369036 443605187 /nfs/dbraw/zinc/60/51/87/443605187.db2.gz GGVRFPZPKOOHJG-WFASDCNBSA-N 1 1 339.417 1.618 20 5 EDBDMO O=[N+]([O-])c1ccc(CCNc2nc(N[C@H]3CCCOC3)cc[nH+]2)cc1 ZINC000435342632 320018004 /nfs/dbraw/zinc/01/80/04/320018004.db2.gz HVUZLNRIAAKKQW-AWEZNQCLSA-N 1 1 343.387 1.474 20 5 EDBDMO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000449433185 320190121 /nfs/dbraw/zinc/19/01/21/320190121.db2.gz LCZZPOVSCMZRKA-ZNMIVQPWSA-N 1 1 336.388 1.965 20 5 EDBDMO O=C1CC[C@H]([NH+]2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)CCN1 ZINC000449702950 320200186 /nfs/dbraw/zinc/20/01/86/320200186.db2.gz STSPTOFLTZIDKD-AWEZNQCLSA-N 1 1 348.403 1.087 20 5 EDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H](C)C1 ZINC000452121571 320243287 /nfs/dbraw/zinc/24/32/87/320243287.db2.gz KNHKYAQQTMJNED-MISXGVKJSA-N 1 1 334.376 1.498 20 5 EDBDMO O=C(NCC[N@@H+]1CC=CCC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000280257636 443684825 /nfs/dbraw/zinc/68/48/25/443684825.db2.gz OFMJGEMDZAZJJT-MRXNPFEDSA-N 1 1 344.371 1.466 20 5 EDBDMO Cc1ccccc1C[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])c2)CC1 ZINC000283766458 443712528 /nfs/dbraw/zinc/71/25/28/443712528.db2.gz BGVTYFPNDDMHLL-UHFFFAOYSA-N 1 1 343.387 1.444 20 5 EDBDMO CO[C@@]1(C)CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000281168943 443837401 /nfs/dbraw/zinc/83/74/01/443837401.db2.gz PTELJTRPVOTXCK-PBHICJAKSA-N 1 1 347.371 1.728 20 5 EDBDMO CO[C@@]1(C)CCC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000281168943 443837406 /nfs/dbraw/zinc/83/74/06/443837406.db2.gz PTELJTRPVOTXCK-PBHICJAKSA-N 1 1 347.371 1.728 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)N1CCOCC1 ZINC000284990887 443810889 /nfs/dbraw/zinc/81/08/89/443810889.db2.gz YAAAWBDFVVXIJJ-CZUORRHYSA-N 1 1 333.388 1.522 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000298599887 443811906 /nfs/dbraw/zinc/81/19/06/443811906.db2.gz MIAFRRHWYLQUGA-ZFWWWQNUSA-N 1 1 346.387 1.585 20 5 EDBDMO CCc1nc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc(C)[nH+]1 ZINC000298828073 443879851 /nfs/dbraw/zinc/87/98/51/443879851.db2.gz HFPYLBRYWKZYHU-UHFFFAOYSA-N 1 1 328.376 1.977 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000299050210 443938753 /nfs/dbraw/zinc/93/87/53/443938753.db2.gz GUBJHHLMGJEAFU-UONOGXRCSA-N 1 1 325.390 1.500 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288528279 443908817 /nfs/dbraw/zinc/90/88/17/443908817.db2.gz RQEDGENXWZJWAS-NSHDSACASA-N 1 1 337.376 1.778 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288528279 443908820 /nfs/dbraw/zinc/90/88/20/443908820.db2.gz RQEDGENXWZJWAS-NSHDSACASA-N 1 1 337.376 1.778 20 5 EDBDMO CN(C)c1ccccc1C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000288543278 443914101 /nfs/dbraw/zinc/91/41/01/443914101.db2.gz AEDCWYPWWVLVAI-UHFFFAOYSA-N 1 1 330.388 1.955 20 5 EDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1F ZINC000293117305 443929403 /nfs/dbraw/zinc/92/94/03/443929403.db2.gz YWZFWRGVAYQRHR-CYBMUJFWSA-N 1 1 335.339 1.655 20 5 EDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1F ZINC000293117305 443929407 /nfs/dbraw/zinc/92/94/07/443929407.db2.gz YWZFWRGVAYQRHR-CYBMUJFWSA-N 1 1 335.339 1.655 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293123552 443930608 /nfs/dbraw/zinc/93/06/08/443930608.db2.gz ZIWBICHHPVOPHG-CQSZACIVSA-N 1 1 347.375 1.395 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281618011 443961120 /nfs/dbraw/zinc/96/11/20/443961120.db2.gz PPTSNDYHYMJDRU-UHFFFAOYSA-N 1 1 339.392 1.367 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000288754664 443973219 /nfs/dbraw/zinc/97/32/19/443973219.db2.gz GTPRLMYCMDSGNS-CYBMUJFWSA-N 1 1 346.343 1.026 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000288754664 443973224 /nfs/dbraw/zinc/97/32/24/443973224.db2.gz GTPRLMYCMDSGNS-CYBMUJFWSA-N 1 1 346.343 1.026 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299410248 444038562 /nfs/dbraw/zinc/03/85/62/444038562.db2.gz VXOUKAYWTAIIPR-AWEZNQCLSA-N 1 1 348.403 1.784 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000285680818 444071487 /nfs/dbraw/zinc/07/14/87/444071487.db2.gz HRXYDBCXIMECSV-UONOGXRCSA-N 1 1 339.779 1.793 20 5 EDBDMO COc1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000277874021 444056690 /nfs/dbraw/zinc/05/66/90/444056690.db2.gz UWOTXORXDUKIAX-GJZGRUSLSA-N 1 1 346.387 1.545 20 5 EDBDMO Cn1cc([C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000277874322 444057118 /nfs/dbraw/zinc/05/71/18/444057118.db2.gz UZKRBXQHHIKRAM-XIRDDKMYSA-N 1 1 346.387 1.070 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000299700184 444119836 /nfs/dbraw/zinc/11/98/36/444119836.db2.gz OWEONFIOYNQRKA-UHFFFAOYSA-N 1 1 334.376 1.394 20 5 EDBDMO CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C)C1=O ZINC000282359822 444156791 /nfs/dbraw/zinc/15/67/91/444156791.db2.gz BGBRMXKZXJODJD-CYBMUJFWSA-N 1 1 335.360 1.573 20 5 EDBDMO CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C)C1=O ZINC000282359822 444156796 /nfs/dbraw/zinc/15/67/96/444156796.db2.gz BGBRMXKZXJODJD-CYBMUJFWSA-N 1 1 335.360 1.573 20 5 EDBDMO COc1cc(NC[C@@](C)(O)C[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000301944472 444197668 /nfs/dbraw/zinc/19/76/68/444197668.db2.gz ZAZOHAJBJZVODE-OAHLLOKOSA-N 1 1 343.355 1.238 20 5 EDBDMO COc1cc(C[NH2+][C@H]2COC[C@@H]2OC)c([N+](=O)[O-])cc1OC(F)F ZINC000290153888 444249275 /nfs/dbraw/zinc/24/92/75/444249275.db2.gz NWLGZAWYDBXIQL-ZANVPECISA-N 1 1 348.302 1.708 20 5 EDBDMO CC(C)[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H](C)O ZINC000304228408 444243530 /nfs/dbraw/zinc/24/35/30/444243530.db2.gz MEJATNSQHVNRGB-GFCCVEGCSA-N 1 1 337.376 1.984 20 5 EDBDMO CCOc1ccc(NC(=O)CN2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343785165 444589888 /nfs/dbraw/zinc/58/98/88/444589888.db2.gz RGCFVPVLYDRLCX-LBPRGKRZSA-N 1 1 336.392 1.568 20 5 EDBDMO CCOC(=O)CC(C)(C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000343875921 444641091 /nfs/dbraw/zinc/64/10/91/444641091.db2.gz LSGBRAKAYQCQIX-UHFFFAOYSA-N 1 1 325.365 1.420 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343999527 444718777 /nfs/dbraw/zinc/71/87/77/444718777.db2.gz YYCQQJFPTCSXMF-RISCZKNCSA-N 1 1 341.433 1.918 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343999527 444718780 /nfs/dbraw/zinc/71/87/80/444718780.db2.gz YYCQQJFPTCSXMF-RISCZKNCSA-N 1 1 341.433 1.918 20 5 EDBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CCN1CC[NH+](CC)CC1 ZINC000344123052 444793159 /nfs/dbraw/zinc/79/31/59/444793159.db2.gz GJIYUMOZQFAYIM-UHFFFAOYSA-N 1 1 338.456 1.141 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2Cn2cc(C3CC3)nn2)c1 ZINC000344313473 444895333 /nfs/dbraw/zinc/89/53/33/444895333.db2.gz PNSOABVIYLYMOY-CYBMUJFWSA-N 1 1 331.380 1.425 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2Cn2ccnn2)c1 ZINC000344351080 444912393 /nfs/dbraw/zinc/91/23/93/444912393.db2.gz VHECKKWODHXABS-CABCVRRESA-N 1 1 347.375 1.091 20 5 EDBDMO O=C(CC[N@H+]1CCC[C@@H]1Cn1ccnn1)Nc1ccccc1[N+](=O)[O-] ZINC000344357933 444916133 /nfs/dbraw/zinc/91/61/33/444916133.db2.gz VEFBBAJCQHAEON-CYBMUJFWSA-N 1 1 344.375 1.680 20 5 EDBDMO COC(=O)c1cn([C@@H]2CCN(Cc3cc(O)ccc3[N+](=O)[O-])C2)nn1 ZINC000339089116 445027277 /nfs/dbraw/zinc/02/72/77/445027277.db2.gz WVJWTVIOLNHUJM-LLVKDONJSA-N 1 1 347.331 1.126 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000344502660 445017667 /nfs/dbraw/zinc/01/76/67/445017667.db2.gz VPUYPXHGKGYORC-KBPBESRZSA-N 1 1 325.340 1.525 20 5 EDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCC[C@H]1O ZINC000339133706 445050129 /nfs/dbraw/zinc/05/01/29/445050129.db2.gz OEALTXWCTRCLAU-SWLSCSKDSA-N 1 1 349.387 1.986 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000339201516 445085762 /nfs/dbraw/zinc/08/57/62/445085762.db2.gz NVFYNVRHFATBDJ-UHFFFAOYSA-N 1 1 349.435 1.824 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000330663891 445086532 /nfs/dbraw/zinc/08/65/32/445086532.db2.gz FKMGNHFCLITWDT-SNVBAGLBSA-N 1 1 326.784 1.823 20 5 EDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343316178 445195807 /nfs/dbraw/zinc/19/58/07/445195807.db2.gz DVISGNKYPKRRQN-LBPRGKRZSA-N 1 1 341.371 1.747 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000343454816 445226146 /nfs/dbraw/zinc/22/61/46/445226146.db2.gz GVHVJESZMQGTHL-RYUDHWBXSA-N 1 1 348.403 1.647 20 5 EDBDMO CS[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000343591543 445254347 /nfs/dbraw/zinc/25/43/47/445254347.db2.gz ZFXGTIQKUNVUAZ-LSDHHAIUSA-N 1 1 325.434 1.951 20 5 EDBDMO CS[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000343591543 445254351 /nfs/dbraw/zinc/25/43/51/445254351.db2.gz ZFXGTIQKUNVUAZ-LSDHHAIUSA-N 1 1 325.434 1.951 20 5 EDBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354617506 445317050 /nfs/dbraw/zinc/31/70/50/445317050.db2.gz URTOGDBVGVCSGM-CYBMUJFWSA-N 1 1 325.390 1.452 20 5 EDBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354617506 445317051 /nfs/dbraw/zinc/31/70/51/445317051.db2.gz URTOGDBVGVCSGM-CYBMUJFWSA-N 1 1 325.390 1.452 20 5 EDBDMO C[C@@]1(O)CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000348379338 445271133 /nfs/dbraw/zinc/27/11/33/445271133.db2.gz UPXLVESEJWNYBA-NVXWUHKLSA-N 1 1 333.388 1.937 20 5 EDBDMO Cc1cccc(NCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[nH+]1 ZINC000359749458 445406998 /nfs/dbraw/zinc/40/69/98/445406998.db2.gz GIZXYSNGMSVRNQ-UHFFFAOYSA-N 1 1 333.323 1.861 20 5 EDBDMO O=C(CN1CCC2(C1)CC[NH2+]CC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000358515845 445627543 /nfs/dbraw/zinc/62/75/43/445627543.db2.gz NPGSLBZSOWFJSQ-UHFFFAOYSA-N 1 1 344.415 1.559 20 5 EDBDMO CCOC(=O)[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc21 ZINC000363165643 445704667 /nfs/dbraw/zinc/70/46/67/445704667.db2.gz HPMIOGSULZVTBS-HNNXBMFYSA-N 1 1 344.371 1.954 20 5 EDBDMO CCOC(=O)[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc21 ZINC000363165643 445704671 /nfs/dbraw/zinc/70/46/71/445704671.db2.gz HPMIOGSULZVTBS-HNNXBMFYSA-N 1 1 344.371 1.954 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000356507303 445829941 /nfs/dbraw/zinc/82/99/41/445829941.db2.gz QBRQLKOJHZWMBW-UHFFFAOYSA-N 1 1 347.419 1.689 20 5 EDBDMO CN(CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)CC[NH+](C)C ZINC000356507303 445829946 /nfs/dbraw/zinc/82/99/46/445829946.db2.gz QBRQLKOJHZWMBW-UHFFFAOYSA-N 1 1 347.419 1.689 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000363443833 445805281 /nfs/dbraw/zinc/80/52/81/445805281.db2.gz ZFJUSDDFFQCOJF-MLGOLLRUSA-N 1 1 347.371 1.869 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000363443833 445805285 /nfs/dbraw/zinc/80/52/85/445805285.db2.gz ZFJUSDDFFQCOJF-MLGOLLRUSA-N 1 1 347.371 1.869 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000354017449 445856774 /nfs/dbraw/zinc/85/67/74/445856774.db2.gz AUMVUWSWKSZDCB-GFCCVEGCSA-N 1 1 349.387 1.938 20 5 EDBDMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1 ZINC000361634396 445859333 /nfs/dbraw/zinc/85/93/33/445859333.db2.gz CSHAJPDORISCKK-HOTGVXAUSA-N 1 1 333.388 1.395 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000359165654 445993695 /nfs/dbraw/zinc/99/36/95/445993695.db2.gz HVPGRTRIGTUCBI-UHFFFAOYSA-N 1 1 334.332 1.583 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000354279307 446075648 /nfs/dbraw/zinc/07/56/48/446075648.db2.gz 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COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000362075655 446196662 /nfs/dbraw/zinc/19/66/62/446196662.db2.gz JDFCGFHMWDVUHV-RYUDHWBXSA-N 1 1 337.376 1.492 20 5 EDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365537912 446244867 /nfs/dbraw/zinc/24/48/67/446244867.db2.gz LWWRSQCWXXADBO-SQWLQELKSA-N 1 1 344.415 1.949 20 5 EDBDMO Cc1ccc(N2CCC(NC(=O)c3nn(C)cc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000370323858 446230252 /nfs/dbraw/zinc/23/02/52/446230252.db2.gz HAUJHDBZWXIDRL-UHFFFAOYSA-N 1 1 344.375 1.431 20 5 EDBDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366678422 446306129 /nfs/dbraw/zinc/30/61/29/446306129.db2.gz TUIHGWPEXIDYCW-QDSSRZTBSA-N 1 1 336.388 1.712 20 5 EDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370545819 446326354 /nfs/dbraw/zinc/32/63/54/446326354.db2.gz IQJQCGDHQWUTBC-IAGOWNOFSA-N 1 1 347.415 1.897 20 5 EDBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cn4cccnc4n3)CC2)n1 ZINC000365817926 446354763 /nfs/dbraw/zinc/35/47/63/446354763.db2.gz DIHSZHSLUJTFFV-UHFFFAOYSA-N 1 1 327.348 1.671 20 5 EDBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411230431 446433972 /nfs/dbraw/zinc/43/39/72/446433972.db2.gz WEPOGWXRFWDPAQ-NEPJUHHUSA-N 1 1 334.376 1.509 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000411258110 446449486 /nfs/dbraw/zinc/44/94/86/446449486.db2.gz VPUBESDJVDNFEF-OAHLLOKOSA-N 1 1 348.403 1.640 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000411258110 446449491 /nfs/dbraw/zinc/44/94/91/446449491.db2.gz VPUBESDJVDNFEF-OAHLLOKOSA-N 1 1 348.403 1.640 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375024592 446524302 /nfs/dbraw/zinc/52/43/02/446524302.db2.gz XAKNUXANSGKYOZ-CJNGLKHVSA-N 1 1 332.404 1.949 20 5 EDBDMO COCCC[N@H+]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000371002752 446567639 /nfs/dbraw/zinc/56/76/39/446567639.db2.gz CQMRRLMHOUWGIE-KRWDZBQOSA-N 1 1 337.420 1.672 20 5 EDBDMO O=C(NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000423698239 446646573 /nfs/dbraw/zinc/64/65/73/446646573.db2.gz MQIGZJMYQGYBFN-WCQYABFASA-N 1 1 347.350 1.580 20 5 EDBDMO COCC[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411745904 446666659 /nfs/dbraw/zinc/66/66/59/446666659.db2.gz RINJWNYWZDYGKC-HNNXBMFYSA-N 1 1 337.376 1.661 20 5 EDBDMO CC(C)NC(=O)C[N@@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000376765285 446706665 /nfs/dbraw/zinc/70/66/65/446706665.db2.gz PNYDUFBENYDKMJ-UHFFFAOYSA-N 1 1 335.408 1.214 20 5 EDBDMO CC(C)NC(=O)C[N@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000376765285 446706671 /nfs/dbraw/zinc/70/66/71/446706671.db2.gz PNYDUFBENYDKMJ-UHFFFAOYSA-N 1 1 335.408 1.214 20 5 EDBDMO COC(=O)[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411906631 446714402 /nfs/dbraw/zinc/71/44/02/446714402.db2.gz OFFDYJCYTKJPPF-ZDUSSCGKSA-N 1 1 337.376 1.010 20 5 EDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411939171 446750092 /nfs/dbraw/zinc/75/00/92/446750092.db2.gz IZKKIJWCANCFTK-LBPRGKRZSA-N 1 1 334.376 1.334 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000411940511 446751111 /nfs/dbraw/zinc/75/11/11/446751111.db2.gz JYBHDIHNEDYHJS-JTQLQIEISA-N 1 1 325.340 1.653 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411955965 446758870 /nfs/dbraw/zinc/75/88/70/446758870.db2.gz QTFIHKKKVOAQDC-CYBMUJFWSA-N 1 1 348.403 1.642 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437851588 446765816 /nfs/dbraw/zinc/76/58/16/446765816.db2.gz LFAGXYLWOAMGGD-ZDUSSCGKSA-N 1 1 335.408 1.855 20 5 EDBDMO COc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000371284576 446743835 /nfs/dbraw/zinc/74/38/35/446743835.db2.gz SIPXHRPUNZDHSQ-UONOGXRCSA-N 1 1 349.387 1.587 20 5 EDBDMO COc1cc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000371284576 446743840 /nfs/dbraw/zinc/74/38/40/446743840.db2.gz SIPXHRPUNZDHSQ-UONOGXRCSA-N 1 1 349.387 1.587 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000412042343 446803344 /nfs/dbraw/zinc/80/33/44/446803344.db2.gz KFFNAPVVPZYKTG-GZBFAFLISA-N 1 1 333.388 1.935 20 5 EDBDMO CN(C(=O)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000412046595 446809269 /nfs/dbraw/zinc/80/92/69/446809269.db2.gz NUYBQEKLDZKNID-ZENOOKHLSA-N 1 1 333.388 1.650 20 5 EDBDMO C[C@H]1C[C@H](CO)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000420945736 446917382 /nfs/dbraw/zinc/91/73/82/446917382.db2.gz RYFLNBQFWBKBFM-STQMWFEESA-N 1 1 333.388 1.434 20 5 EDBDMO C[C@H]1C[C@H](CO)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000420945736 446917386 /nfs/dbraw/zinc/91/73/86/446917386.db2.gz RYFLNBQFWBKBFM-STQMWFEESA-N 1 1 333.388 1.434 20 5 EDBDMO Nc1nc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000377114188 446928932 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UVFKGTVCCDIFOQ-CQSZACIVSA-N 1 1 345.359 1.717 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2Cn2cncn2)c2c(c1)COCO2 ZINC000368686130 447036695 /nfs/dbraw/zinc/03/66/95/447036695.db2.gz UVFKGTVCCDIFOQ-CQSZACIVSA-N 1 1 345.359 1.717 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444664063 447116790 /nfs/dbraw/zinc/11/67/90/447116790.db2.gz MONCJMDTCNJDSU-UHFFFAOYSA-N 1 1 341.375 1.527 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000444170321 447084471 /nfs/dbraw/zinc/08/44/71/447084471.db2.gz MXFYMBLJVPDYCV-UHFFFAOYSA-N 1 1 345.421 1.612 20 5 EDBDMO CN1CCC[C@@]2(CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)C1=O ZINC000372558456 447140026 /nfs/dbraw/zinc/14/00/26/447140026.db2.gz TWNMOPHLRNZDGL-KRWDZBQOSA-N 1 1 333.388 1.918 20 5 EDBDMO C[N@@H+](CCCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C1CC1 ZINC000413349721 447157705 /nfs/dbraw/zinc/15/77/05/447157705.db2.gz TXUXSOZCFFOPFE-UHFFFAOYSA-N 1 1 342.421 1.529 20 5 EDBDMO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015213 447265770 /nfs/dbraw/zinc/26/57/70/447265770.db2.gz AMJOBXKASWDKMS-GXTWGEPZSA-N 1 1 335.408 1.876 20 5 EDBDMO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015213 447265775 /nfs/dbraw/zinc/26/57/75/447265775.db2.gz AMJOBXKASWDKMS-GXTWGEPZSA-N 1 1 335.408 1.876 20 5 EDBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000451135108 447696506 /nfs/dbraw/zinc/69/65/06/447696506.db2.gz BAHWMSCTLXQGOS-GJZGRUSLSA-N 1 1 331.376 1.376 20 5 EDBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000451135108 447696511 /nfs/dbraw/zinc/69/65/11/447696511.db2.gz BAHWMSCTLXQGOS-GJZGRUSLSA-N 1 1 331.376 1.376 20 5 EDBDMO NC(=O)Cn1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000459578436 447711603 /nfs/dbraw/zinc/71/16/03/447711603.db2.gz NNRLANFUXQEFLG-ZDUSSCGKSA-N 1 1 344.375 1.051 20 5 EDBDMO NC(=O)Cn1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000459578436 447711610 /nfs/dbraw/zinc/71/16/10/447711610.db2.gz NNRLANFUXQEFLG-ZDUSSCGKSA-N 1 1 344.375 1.051 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000452092468 447815242 /nfs/dbraw/zinc/81/52/42/447815242.db2.gz DWQICMVYYZEHPG-OAHLLOKOSA-N 1 1 341.433 1.839 20 5 EDBDMO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000451876432 447770850 /nfs/dbraw/zinc/77/08/50/447770850.db2.gz YBGZBJJUBBYIPL-NSHDSACASA-N 1 1 335.330 1.607 20 5 EDBDMO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000451876432 447770852 /nfs/dbraw/zinc/77/08/52/447770852.db2.gz YBGZBJJUBBYIPL-NSHDSACASA-N 1 1 335.330 1.607 20 5 EDBDMO COc1ccc(CC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000530767261 447953390 /nfs/dbraw/zinc/95/33/90/447953390.db2.gz LTXZMILINYRVEB-AAEUAGOBSA-N 1 1 333.388 1.887 20 5 EDBDMO COc1ccc(CC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000524312918 447925315 /nfs/dbraw/zinc/92/53/15/447925315.db2.gz QXUKGZQIGZFQCU-KBPBESRZSA-N 1 1 333.388 1.889 20 5 EDBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@H+]1C ZINC000525543102 448004160 /nfs/dbraw/zinc/00/41/60/448004160.db2.gz YPBPIBMDPAICJN-RYUDHWBXSA-N 1 1 349.387 1.921 20 5 EDBDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000525729345 448017769 /nfs/dbraw/zinc/01/77/69/448017769.db2.gz FIHMDODZAYCHQZ-CYBMUJFWSA-N 1 1 333.388 1.916 20 5 EDBDMO C[C@H]1[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000576728632 448128257 /nfs/dbraw/zinc/12/82/57/448128257.db2.gz PVWAPLWPVLRKSY-FZMZJTMJSA-N 1 1 329.360 1.711 20 5 EDBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cn1)CCC(F)(F)F ZINC000577339142 448267218 /nfs/dbraw/zinc/26/72/18/448267218.db2.gz HTGSZXFHONXKQF-UHFFFAOYSA-N 1 1 334.298 1.994 20 5 EDBDMO C[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000572692896 448438124 /nfs/dbraw/zinc/43/81/24/448438124.db2.gz ILABPZLZQSRJBW-ZIAGYGMSSA-N 1 1 335.404 1.783 20 5 EDBDMO CCc1ccc(S(=O)(=O)N2CCC[N@@H+](CC)CC2)cc1[N+](=O)[O-] ZINC000572874132 448488151 /nfs/dbraw/zinc/48/81/51/448488151.db2.gz UXHUWUPYDUHLGJ-UHFFFAOYSA-N 1 1 341.433 1.874 20 5 EDBDMO CCc1ccc(S(=O)(=O)N2CCC[N@H+](CC)CC2)cc1[N+](=O)[O-] ZINC000572874132 448488158 /nfs/dbraw/zinc/48/81/58/448488158.db2.gz UXHUWUPYDUHLGJ-UHFFFAOYSA-N 1 1 341.433 1.874 20 5 EDBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000536030607 448514053 /nfs/dbraw/zinc/51/40/53/448514053.db2.gz DBOVPASYDXDTSM-OAHLLOKOSA-N 1 1 343.387 1.829 20 5 EDBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000536030607 448514056 /nfs/dbraw/zinc/51/40/56/448514056.db2.gz DBOVPASYDXDTSM-OAHLLOKOSA-N 1 1 343.387 1.829 20 5 EDBDMO C[C@@H](C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000517004406 448519521 /nfs/dbraw/zinc/51/95/21/448519521.db2.gz IMIYIWUXLHNFQR-LSDHHAIUSA-N 1 1 348.447 1.841 20 5 EDBDMO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000518757517 448705341 /nfs/dbraw/zinc/70/53/41/448705341.db2.gz DLRJNMIEXDBEIF-RBSFLKMASA-N 1 1 337.420 1.797 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000585707348 448744716 /nfs/dbraw/zinc/74/47/16/448744716.db2.gz GAJPAOKDFSPYTA-LBPRGKRZSA-N 1 1 347.419 1.563 20 5 EDBDMO C[C@H]([NH3+])CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000592383353 448816748 /nfs/dbraw/zinc/81/67/48/448816748.db2.gz OYEJZIFQZFUCJM-YFKPBYRVSA-N 1 1 328.177 1.527 20 5 EDBDMO Cn1c2cc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587309738 448837431 /nfs/dbraw/zinc/83/74/31/448837431.db2.gz NNJNKAAKTZQJES-VXGBXAGGSA-N 1 1 345.403 1.824 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548059126 448978091 /nfs/dbraw/zinc/97/80/91/448978091.db2.gz JKCHTEGGYGTZGO-LBPRGKRZSA-N 1 1 335.408 1.814 20 5 EDBDMO C[N@H+]1C[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000592881104 449033972 /nfs/dbraw/zinc/03/39/72/449033972.db2.gz KLYXJPKPNRHVSG-ZBFHGGJFSA-N 1 1 343.387 1.253 20 5 EDBDMO C[C@]12COC[C@H]1C[N@H+](CC(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000595762078 449154404 /nfs/dbraw/zinc/15/44/04/449154404.db2.gz ZRVWLNVBXVHDQI-HWPZZCPQSA-N 1 1 349.343 1.230 20 5 EDBDMO C[C@]12COC[C@H]1C[N@@H+](CC(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000595762078 449154409 /nfs/dbraw/zinc/15/44/09/449154409.db2.gz ZRVWLNVBXVHDQI-HWPZZCPQSA-N 1 1 349.343 1.230 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000611088070 449164259 /nfs/dbraw/zinc/16/42/59/449164259.db2.gz BMIVUEULQXANFD-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000611088070 449164264 /nfs/dbraw/zinc/16/42/64/449164264.db2.gz BMIVUEULQXANFD-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO Cc1c(CC(=O)NC2CC([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000600066953 449169265 /nfs/dbraw/zinc/16/92/65/449169265.db2.gz OGGJJZUHBNQUOT-UHFFFAOYSA-N 1 1 333.388 1.425 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600007493 449146451 /nfs/dbraw/zinc/14/64/51/449146451.db2.gz UWGMHTHGPIBKFW-UHFFFAOYSA-N 1 1 348.403 1.625 20 5 EDBDMO Cc1c(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000590402480 449149596 /nfs/dbraw/zinc/14/95/96/449149596.db2.gz UVVAYQJCOPDOKL-HOTGVXAUSA-N 1 1 333.388 1.838 20 5 EDBDMO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000590604829 449218012 /nfs/dbraw/zinc/21/80/12/449218012.db2.gz PSMHHOODQPVRCN-HNNXBMFYSA-N 1 1 336.436 1.418 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595828989 449192182 /nfs/dbraw/zinc/19/21/82/449192182.db2.gz FXCCFZIOABOODY-QWHCGFSZSA-N 1 1 349.387 1.900 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)CO ZINC000595875177 449224494 /nfs/dbraw/zinc/22/44/94/449224494.db2.gz PZAYYHPFOUJMOA-PXAZEXFGSA-N 1 1 349.387 1.843 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593529472 449326500 /nfs/dbraw/zinc/32/65/00/449326500.db2.gz BLLIKURKVLPVDO-UHFFFAOYSA-N 1 1 347.350 1.359 20 5 EDBDMO NS(=O)(=O)c1ccc(NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000596077900 449351886 /nfs/dbraw/zinc/35/18/86/449351886.db2.gz DTFFWBJFCJOUKR-SNVBAGLBSA-N 1 1 340.405 1.138 20 5 EDBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600529108 449427942 /nfs/dbraw/zinc/42/79/42/449427942.db2.gz WIFFQHBMBVKFST-DGCLKSJQSA-N 1 1 339.417 1.258 20 5 EDBDMO COC(=O)[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600536934 449429885 /nfs/dbraw/zinc/42/98/85/449429885.db2.gz LYYNVZUHVDVVIX-BZNIZROVSA-N 1 1 335.360 1.051 20 5 EDBDMO C[C@H]1C[C@@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000596155397 449388060 /nfs/dbraw/zinc/38/80/60/449388060.db2.gz JSNSUDUSVQCAPS-GXSJLCMTSA-N 1 1 340.405 1.279 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611710718 449390275 /nfs/dbraw/zinc/39/02/75/449390275.db2.gz NLQSEKINNPFYSF-ZDUSSCGKSA-N 1 1 331.376 2.061 20 5 EDBDMO C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1CO ZINC000598645293 449514787 /nfs/dbraw/zinc/51/47/87/449514787.db2.gz CBDPSYRRXHJOCI-WWGRRREGSA-N 1 1 333.388 1.650 20 5 EDBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600808793 449556775 /nfs/dbraw/zinc/55/67/75/449556775.db2.gz QWLZGEWFNDBZCA-NSHDSACASA-N 1 1 327.768 1.353 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000602473422 449618731 /nfs/dbraw/zinc/61/87/31/449618731.db2.gz RAJZNPVWNPFXJF-MRXNPFEDSA-N 1 1 333.388 1.922 20 5 EDBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000596816511 449666324 /nfs/dbraw/zinc/66/63/24/449666324.db2.gz IUKTVFGAZCCWJR-CQSZACIVSA-N 1 1 341.371 1.808 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598893767 449633260 /nfs/dbraw/zinc/63/32/60/449633260.db2.gz CWBRXYBJDKOTJD-AWEZNQCLSA-N 1 1 349.391 1.317 20 5 EDBDMO CC(C)[N@@H+](C)CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897810 449636033 /nfs/dbraw/zinc/63/60/33/449636033.db2.gz LRWDMOMDJRMHPE-UHFFFAOYSA-N 1 1 337.380 1.173 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599105814 449738491 /nfs/dbraw/zinc/73/84/91/449738491.db2.gz FVOVNTVKYXOGGY-NSHDSACASA-N 1 1 329.353 1.297 20 5 EDBDMO Cc1nn(C)c(N2CC[NH+](Cc3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC000601257630 449780706 /nfs/dbraw/zinc/78/07/06/449780706.db2.gz QINPBHWRXKCEGZ-UHFFFAOYSA-N 1 1 331.376 1.665 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)c1 ZINC000614740800 449784999 /nfs/dbraw/zinc/78/49/99/449784999.db2.gz KSIXDNLZMRIKOX-CYBMUJFWSA-N 1 1 330.392 1.814 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601306855 449817308 /nfs/dbraw/zinc/81/73/08/449817308.db2.gz SWNBKRIMIGQFSI-SNVBAGLBSA-N 1 1 347.462 1.975 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000602837589 449846862 /nfs/dbraw/zinc/84/68/62/449846862.db2.gz NVAORSMMLCXFDQ-CYBMUJFWSA-N 1 1 344.437 1.389 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000602837589 449846865 /nfs/dbraw/zinc/84/68/65/449846865.db2.gz NVAORSMMLCXFDQ-CYBMUJFWSA-N 1 1 344.437 1.389 20 5 EDBDMO C[NH+](C)C1(CS(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000601349858 449862524 /nfs/dbraw/zinc/86/25/24/449862524.db2.gz LEBBDDXXWRJXOF-UHFFFAOYSA-N 1 1 325.390 1.381 20 5 EDBDMO O=c1ccccn1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000608788638 449938232 /nfs/dbraw/zinc/93/82/32/449938232.db2.gz IZLUUACUHFUBAA-UHFFFAOYSA-N 1 1 328.372 1.579 20 5 EDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000609268813 449995411 /nfs/dbraw/zinc/99/54/11/449995411.db2.gz CYQLTZJFJVZJMI-LLVKDONJSA-N 1 1 347.375 1.312 20 5 EDBDMO COC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc([N+](=O)[O-])c1 ZINC000609382578 450021424 /nfs/dbraw/zinc/02/14/24/450021424.db2.gz CELZHVJTZZAXIJ-AWEZNQCLSA-N 1 1 347.371 1.596 20 5 EDBDMO CC1(C)[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000603110643 450073177 /nfs/dbraw/zinc/07/31/77/450073177.db2.gz NNGCFXNHZYHCPN-RYUDHWBXSA-N 1 1 339.417 1.885 20 5 EDBDMO CNc1nccc(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000603141656 450089235 /nfs/dbraw/zinc/08/92/35/450089235.db2.gz GSTGWXZDXSQURJ-LBPRGKRZSA-N 1 1 335.408 1.834 20 5 EDBDMO CNc1nccc(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000603141656 450089241 /nfs/dbraw/zinc/08/92/41/450089241.db2.gz GSTGWXZDXSQURJ-LBPRGKRZSA-N 1 1 335.408 1.834 20 5 EDBDMO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595380704 450095169 /nfs/dbraw/zinc/09/51/69/450095169.db2.gz AUXIBGLCAXAVEE-UHFFFAOYSA-N 1 1 329.422 1.994 20 5 EDBDMO C[C@]1(CO)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000599623344 450111002 /nfs/dbraw/zinc/11/10/02/450111002.db2.gz MBDKEEHTYCFFIK-CALCHBBNSA-N 1 1 338.404 1.677 20 5 EDBDMO O=[N+]([O-])c1ccc(Cn2cc(C[N@H+]3CCC[C@@H]3CO)nn2)c(F)c1 ZINC000603224981 450157151 /nfs/dbraw/zinc/15/71/51/450157151.db2.gz XVMNCLKTMLICKY-CQSZACIVSA-N 1 1 335.339 1.330 20 5 EDBDMO O=[N+]([O-])c1ccc(Cn2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)c(F)c1 ZINC000603224981 450157158 /nfs/dbraw/zinc/15/71/58/450157158.db2.gz XVMNCLKTMLICKY-CQSZACIVSA-N 1 1 335.339 1.330 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595419920 450131042 /nfs/dbraw/zinc/13/10/42/450131042.db2.gz APLVDPAQGVZDMR-LBPRGKRZSA-N 1 1 339.367 1.803 20 5 EDBDMO COC(=O)[C@](C)(NCCCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000599653959 450131666 /nfs/dbraw/zinc/13/16/66/450131666.db2.gz OUFBQOAXZMGKJR-QGZVFWFLSA-N 1 1 346.387 1.939 20 5 EDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597710981 450213686 /nfs/dbraw/zinc/21/36/86/450213686.db2.gz ZDIAQSZAMSIWFK-MRXNPFEDSA-N 1 1 333.388 1.461 20 5 EDBDMO CC[N@H+]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000595536386 450215617 /nfs/dbraw/zinc/21/56/17/450215617.db2.gz REUOCTTYTNVRMC-AWEZNQCLSA-N 1 1 346.431 1.900 20 5 EDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000597716706 450217464 /nfs/dbraw/zinc/21/74/64/450217464.db2.gz SDCCDKXGZUMONY-QGZVFWFLSA-N 1 1 332.404 1.951 20 5 EDBDMO NC(=O)c1ccc(C[N@@H+](CCOCCO)C2CCC2)c([N+](=O)[O-])c1 ZINC000595597854 450255612 /nfs/dbraw/zinc/25/56/12/450255612.db2.gz BMGBPQKUELNFFG-UHFFFAOYSA-N 1 1 337.376 1.057 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000619873695 450349075 /nfs/dbraw/zinc/34/90/75/450349075.db2.gz PVPIIACRDQIPPM-ZDUSSCGKSA-N 1 1 343.387 1.196 20 5 EDBDMO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000619535948 450501061 /nfs/dbraw/zinc/50/10/61/450501061.db2.gz DSVABXVXSDUMMU-CQSZACIVSA-N 1 1 333.388 1.883 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184306160 533906576 /nfs/dbraw/zinc/90/65/76/533906576.db2.gz SXSMPWMJSNYGMG-CQSZACIVSA-N 1 1 334.420 1.280 20 5 EDBDMO CC(C)(C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)n1cc([N+](=O)[O-])cn1 ZINC000347323654 534347871 /nfs/dbraw/zinc/34/78/71/534347871.db2.gz YTVIAQVFBGAPEN-CYBMUJFWSA-N 1 1 335.408 1.660 20 5 EDBDMO CC1(C)NC(=O)N(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1=O ZINC000130972147 527789027 /nfs/dbraw/zinc/78/90/27/527789027.db2.gz HAULIDFYMJQSPW-UHFFFAOYSA-N 1 1 346.387 1.890 20 5 EDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000248789515 536552814 /nfs/dbraw/zinc/55/28/14/536552814.db2.gz DEIXSPKVABOGLF-UKMLZYKCSA-N 1 1 334.372 1.902 20 5 EDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000248789515 536552819 /nfs/dbraw/zinc/55/28/19/536552819.db2.gz DEIXSPKVABOGLF-UKMLZYKCSA-N 1 1 334.372 1.902 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C ZINC000741725596 579426277 /nfs/dbraw/zinc/42/62/77/579426277.db2.gz QBFMSFMWPPKHHK-GHMZBOCLSA-N 1 1 325.340 1.712 20 5 EDBDMO C[N@@H+](CCCNC(=O)C1CCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759998793 580021279 /nfs/dbraw/zinc/02/12/79/580021279.db2.gz JZGVZAYBNURNHO-INIZCTEOSA-N 1 1 335.404 1.866 20 5 EDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729502355 578578136 /nfs/dbraw/zinc/57/81/36/578578136.db2.gz SMNNIQUPEYYOMX-HUUCEWRRSA-N 1 1 348.403 1.599 20 5 EDBDMO C[C@H](O)C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000729920092 578599327 /nfs/dbraw/zinc/59/93/27/578599327.db2.gz UQBLRBGTSIOYDY-JTQLQIEISA-N 1 1 335.364 1.412 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000731058396 578666717 /nfs/dbraw/zinc/66/67/17/578666717.db2.gz WZFHCLQXWIRBTC-LLVKDONJSA-N 1 1 336.348 1.883 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000735586482 578902356 /nfs/dbraw/zinc/90/23/56/578902356.db2.gz 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EDBDMO O=C1CCCN1C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852680023 596226143 /nfs/dbraw/zinc/22/61/43/596226143.db2.gz JLLKRIJYWBVNFL-CJNGLKHVSA-N 1 1 333.388 1.573 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(N)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000870983940 596429227 /nfs/dbraw/zinc/42/92/27/596429227.db2.gz ZNYWWGSEGYUDSQ-PVUWLOKVSA-N 1 1 332.404 1.321 20 5 EDBDMO C[N@@H+]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1(C)C ZINC000867681529 596494036 /nfs/dbraw/zinc/49/40/36/596494036.db2.gz FFZIIPICHWXJQJ-UHFFFAOYSA-N 1 1 328.394 1.095 20 5 EDBDMO C[N@H+]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1(C)C ZINC000867681529 596494038 /nfs/dbraw/zinc/49/40/38/596494038.db2.gz FFZIIPICHWXJQJ-UHFFFAOYSA-N 1 1 328.394 1.095 20 5 EDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000867855362 596587147 /nfs/dbraw/zinc/58/71/47/596587147.db2.gz KJEBQXPCZQEDLN-KBPBESRZSA-N 1 1 339.342 1.921 20 5 EDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000869776609 596627202 /nfs/dbraw/zinc/62/72/02/596627202.db2.gz OYSCGOLRKKATBN-ZDUSSCGKSA-N 1 1 339.367 1.238 20 5 EDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869776850 596628497 /nfs/dbraw/zinc/62/84/97/596628497.db2.gz YHBITWYCKDLXQC-NSHDSACASA-N 1 1 339.367 1.617 20 5 EDBDMO COc1cccc(C[C@H]([NH3+])c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1 ZINC000863670281 596652334 /nfs/dbraw/zinc/65/23/34/596652334.db2.gz LDGSYIHOVKTXCV-NSHDSACASA-N 1 1 344.331 1.629 20 5 EDBDMO C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872032655 596798295 /nfs/dbraw/zinc/79/82/95/596798295.db2.gz XGSDQKFATYJELP-GFCCVEGCSA-N 1 1 338.383 1.549 20 5 EDBDMO Cc1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000868372391 596809603 /nfs/dbraw/zinc/80/96/03/596809603.db2.gz UDIADZWUALYHIX-AWEZNQCLSA-N 1 1 349.435 1.338 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000866393529 596874588 /nfs/dbraw/zinc/87/45/88/596874588.db2.gz GUJVWQRTGJRVAY-LLVKDONJSA-N 1 1 345.396 1.805 20 5 EDBDMO CCOC(=O)N1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000878018760 597569725 /nfs/dbraw/zinc/56/97/25/597569725.db2.gz YZSKJOAUELNRJA-UHFFFAOYSA-N 1 1 325.369 1.264 20 5 EDBDMO CCOC(=O)N1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000878018760 597569726 /nfs/dbraw/zinc/56/97/26/597569726.db2.gz YZSKJOAUELNRJA-UHFFFAOYSA-N 1 1 325.369 1.264 20 5 EDBDMO CC(C)[C@@H](O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000878656605 597669227 /nfs/dbraw/zinc/66/92/27/597669227.db2.gz SRYNFQFAYHIACN-INIZCTEOSA-N 1 1 335.404 1.760 20 5 EDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H](C(F)(F)F)O1 ZINC000880058479 597825340 /nfs/dbraw/zinc/82/53/40/597825340.db2.gz CJLADTQOEGOQAH-ZYHUDNBSSA-N 1 1 349.309 1.798 20 5 EDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H](C(F)(F)F)O1 ZINC000880058479 597825341 /nfs/dbraw/zinc/82/53/41/597825341.db2.gz CJLADTQOEGOQAH-ZYHUDNBSSA-N 1 1 349.309 1.798 20 5 EDBDMO CCn1nncc1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001031653390 697416090 /nfs/dbraw/zinc/41/60/90/697416090.db2.gz CCLVUHIAASKHCH-UHFFFAOYSA-N 1 1 344.375 1.068 20 5 EDBDMO Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)sc1C ZINC000996428867 702783181 /nfs/dbraw/zinc/78/31/81/702783181.db2.gz JUJVHWKKFLPAMN-CHWSQXEVSA-N 1 1 338.433 1.506 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cc3n(n2)CCC3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034644067 710320040 /nfs/dbraw/zinc/32/00/40/710320040.db2.gz BKILRYWKAJKZLG-CZPYZCIJSA-N 1 1 347.419 1.012 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000183874176 529690252 /nfs/dbraw/zinc/69/02/52/529690252.db2.gz NWPJPFZUNRFBDQ-JTQLQIEISA-N 1 1 330.410 1.384 20 5 EDBDMO CNC(=O)CCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000154625398 529851693 /nfs/dbraw/zinc/85/16/93/529851693.db2.gz CFYKLVFWPBBCQC-UHFFFAOYSA-N 1 1 336.392 1.690 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000155119864 530058435 /nfs/dbraw/zinc/05/84/35/530058435.db2.gz GSOJQZKLSSXMNH-KGLIPLIRSA-N 1 1 333.388 1.916 20 5 EDBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000103284714 219283967 /nfs/dbraw/zinc/28/39/67/219283967.db2.gz BZCISSKIJBCXRP-JQWIXIFHSA-N 1 1 345.359 1.731 20 5 EDBDMO Cc1sc(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000184407067 235390277 /nfs/dbraw/zinc/39/02/77/235390277.db2.gz IFPRVCFCMRWMSW-NSHDSACASA-N 1 1 340.449 1.721 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000078415979 138257250 /nfs/dbraw/zinc/25/72/50/138257250.db2.gz QSILHVQVEZRGLX-UHFFFAOYSA-N 1 1 329.360 1.578 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000078415979 138257251 /nfs/dbraw/zinc/25/72/51/138257251.db2.gz QSILHVQVEZRGLX-UHFFFAOYSA-N 1 1 329.360 1.578 20 5 EDBDMO CCOC[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000081519061 138266948 /nfs/dbraw/zinc/26/69/48/138266948.db2.gz LHHBJVILPSNURF-ZDUSSCGKSA-N 1 1 333.388 1.842 20 5 EDBDMO COc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000090458591 138278421 /nfs/dbraw/zinc/27/84/21/138278421.db2.gz AFAUCWUNCKBUBR-ZIAGYGMSSA-N 1 1 349.387 1.587 20 5 EDBDMO COc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000090458591 138278422 /nfs/dbraw/zinc/27/84/22/138278422.db2.gz AFAUCWUNCKBUBR-ZIAGYGMSSA-N 1 1 349.387 1.587 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000186941919 236073207 /nfs/dbraw/zinc/07/32/07/236073207.db2.gz FRVBYQRIQXSDLP-AWEZNQCLSA-N 1 1 349.431 1.831 20 5 EDBDMO C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCOCC1 ZINC000134056360 295967666 /nfs/dbraw/zinc/96/76/66/295967666.db2.gz GMUHCEUDWWNKQY-LBPRGKRZSA-N 1 1 346.387 1.774 20 5 EDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488724000 291158239 /nfs/dbraw/zinc/15/82/39/291158239.db2.gz BMPSQMWDDUYKJS-TYNCELHUSA-N 1 1 332.404 1.860 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000189719100 237180545 /nfs/dbraw/zinc/18/05/45/237180545.db2.gz RRWURLOMFDZMMF-NSHDSACASA-N 1 1 332.360 1.215 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000076672606 216804936 /nfs/dbraw/zinc/80/49/36/216804936.db2.gz LWOQAKUDMZTOJH-GFCCVEGCSA-N 1 1 334.376 1.334 20 5 EDBDMO O=[N+]([O-])c1ccccc1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414989568 304148858 /nfs/dbraw/zinc/14/88/58/304148858.db2.gz QQHYJWMZFJQCJM-CYBMUJFWSA-N 1 1 332.326 1.521 20 5 EDBDMO C[NH+](C)CCNC(=O)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000195519160 139019223 /nfs/dbraw/zinc/01/92/23/139019223.db2.gz PKLRAJVBORUMPM-UHFFFAOYSA-N 1 1 334.420 1.485 20 5 EDBDMO CC(C)N1CC[C@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000245464670 139075993 /nfs/dbraw/zinc/07/59/93/139075993.db2.gz IBIHGPQAELLKJH-OCCSQVGLSA-N 1 1 333.392 1.485 20 5 EDBDMO CC(C)N1CC[C@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000245464670 139075994 /nfs/dbraw/zinc/07/59/94/139075994.db2.gz IBIHGPQAELLKJH-OCCSQVGLSA-N 1 1 333.392 1.485 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000246862782 139124724 /nfs/dbraw/zinc/12/47/24/139124724.db2.gz DAJSAOIZFAPKHW-SWLSCSKDSA-N 1 1 339.417 1.700 20 5 EDBDMO COC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000247543273 139151786 /nfs/dbraw/zinc/15/17/86/139151786.db2.gz YPTCIZGNCWDXNE-WFASDCNBSA-N 1 1 347.371 1.585 20 5 EDBDMO COC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000247543273 139151787 /nfs/dbraw/zinc/15/17/87/139151787.db2.gz YPTCIZGNCWDXNE-WFASDCNBSA-N 1 1 347.371 1.585 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000249134716 139187147 /nfs/dbraw/zinc/18/71/47/139187147.db2.gz VHRSDHJMIVHZOS-GXFFZTMASA-N 1 1 335.360 1.325 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000249134716 139187148 /nfs/dbraw/zinc/18/71/48/139187148.db2.gz VHRSDHJMIVHZOS-GXFFZTMASA-N 1 1 335.360 1.325 20 5 EDBDMO COc1cc(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000249462901 139193639 /nfs/dbraw/zinc/19/36/39/139193639.db2.gz ZZRMCIZZVCMHAS-RYUDHWBXSA-N 1 1 341.383 1.629 20 5 EDBDMO C[C@@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000250097996 139200358 /nfs/dbraw/zinc/20/03/58/139200358.db2.gz QYLOHGIBKUTPIK-NWDGAFQWSA-N 1 1 339.367 1.362 20 5 EDBDMO C[C@@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000250097996 139200359 /nfs/dbraw/zinc/20/03/59/139200359.db2.gz QYLOHGIBKUTPIK-NWDGAFQWSA-N 1 1 339.367 1.362 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000261462094 139208467 /nfs/dbraw/zinc/20/84/67/139208467.db2.gz UBNOTIIOUABXJM-CQSZACIVSA-N 1 1 347.419 1.150 20 5 EDBDMO CCCC[N@@H+](C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000112401322 220319416 /nfs/dbraw/zinc/31/94/16/220319416.db2.gz OTUXLOZNYADLCB-UHFFFAOYSA-N 1 1 336.392 1.173 20 5 EDBDMO COc1cc(OCC(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000155324328 533090302 /nfs/dbraw/zinc/09/03/02/533090302.db2.gz BCYNHOOUMIDXNS-TXEJJXNPSA-N 1 1 337.376 1.533 20 5 EDBDMO COc1ccc([C@@H](CO)[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159823270 533127749 /nfs/dbraw/zinc/12/77/49/533127749.db2.gz CQMGUUFLLCSBCQ-MRXNPFEDSA-N 1 1 347.371 1.431 20 5 EDBDMO C[N@@H+](CCO)C1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000492287221 255167876 /nfs/dbraw/zinc/16/78/76/255167876.db2.gz KQJZGFSHUUSDSG-WAYWQWQTSA-N 1 1 333.388 1.523 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000416288980 304303071 /nfs/dbraw/zinc/30/30/71/304303071.db2.gz DXJUNPHHNUKMII-RYUDHWBXSA-N 1 1 346.387 1.603 20 5 EDBDMO COc1ccc(NC(=O)CN2CC[N@@H+](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000271021830 140222560 /nfs/dbraw/zinc/22/25/60/140222560.db2.gz JIFCSQJJCPJTQM-UHFFFAOYSA-N 1 1 336.392 1.568 20 5 EDBDMO COc1cc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416303212 304306926 /nfs/dbraw/zinc/30/69/26/304306926.db2.gz XNBBFOZUEGSUNB-RYUDHWBXSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1cc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416303212 304306927 /nfs/dbraw/zinc/30/69/27/304306927.db2.gz XNBBFOZUEGSUNB-RYUDHWBXSA-N 1 1 337.376 1.131 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000331544855 141046106 /nfs/dbraw/zinc/04/61/06/141046106.db2.gz QYQCNSBKRDTMII-RISCZKNCSA-N 1 1 339.417 1.664 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000331544855 141046108 /nfs/dbraw/zinc/04/61/08/141046108.db2.gz QYQCNSBKRDTMII-RISCZKNCSA-N 1 1 339.417 1.664 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000332009872 141110133 /nfs/dbraw/zinc/11/01/33/141110133.db2.gz DGKWWKBDCXPVRO-GFCCVEGCSA-N 1 1 334.376 1.529 20 5 EDBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000344970530 143032854 /nfs/dbraw/zinc/03/28/54/143032854.db2.gz BEGURUHSTUJIDE-SNVBAGLBSA-N 1 1 336.373 1.622 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000345896569 143144422 /nfs/dbraw/zinc/14/44/22/143144422.db2.gz ADNDQWBORBKZOV-NEPJUHHUSA-N 1 1 337.424 1.739 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](F)C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000346414861 143202279 /nfs/dbraw/zinc/20/22/79/143202279.db2.gz PPFVOQARVDFYSL-NWDGAFQWSA-N 1 1 325.340 1.637 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000347424129 143319330 /nfs/dbraw/zinc/31/93/30/143319330.db2.gz IKAAIAMWBFICDY-ZDUSSCGKSA-N 1 1 335.404 1.397 20 5 EDBDMO CCNc1ccc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000347776004 143361768 /nfs/dbraw/zinc/36/17/68/143361768.db2.gz QFXFRCIJYQKXOL-JKSUJKDBSA-N 1 1 348.403 1.572 20 5 EDBDMO Cc1c(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000348025231 143392681 /nfs/dbraw/zinc/39/26/81/143392681.db2.gz TVUDUHHLLAWOHN-FZMZJTMJSA-N 1 1 348.403 1.118 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000124036623 292184826 /nfs/dbraw/zinc/18/48/26/292184826.db2.gz LYKJSCUZAZKNHQ-NEPJUHHUSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000124036623 292184828 /nfs/dbraw/zinc/18/48/28/292184828.db2.gz LYKJSCUZAZKNHQ-NEPJUHHUSA-N 1 1 339.417 1.807 20 5 EDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[NH+]1CCSCC1 ZINC000352672757 149111963 /nfs/dbraw/zinc/11/19/63/149111963.db2.gz AIKRQENOVDVWAM-UHFFFAOYSA-N 1 1 338.433 1.785 20 5 EDBDMO CN(C)C(=O)CCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353402569 149393174 /nfs/dbraw/zinc/39/31/74/149393174.db2.gz KTRZOBXRPABSEW-MRXNPFEDSA-N 1 1 345.403 1.876 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000360737378 152176447 /nfs/dbraw/zinc/17/64/47/152176447.db2.gz HWWQTLAAYLUHKI-LSDHHAIUSA-N 1 1 333.388 1.886 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000360737378 152176449 /nfs/dbraw/zinc/17/64/49/152176449.db2.gz HWWQTLAAYLUHKI-LSDHHAIUSA-N 1 1 333.388 1.886 20 5 EDBDMO O=[N+]([O-])c1cnccc1NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000360993310 152272515 /nfs/dbraw/zinc/27/25/15/152272515.db2.gz ATLOKFMMJRZNIE-KRWDZBQOSA-N 1 1 328.372 1.461 20 5 EDBDMO CNS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000361065550 152293693 /nfs/dbraw/zinc/29/36/93/152293693.db2.gz KTRHDMZADZEYJQ-WDEREUQCSA-N 1 1 342.421 1.398 20 5 EDBDMO CN(C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000369545800 155081222 /nfs/dbraw/zinc/08/12/22/155081222.db2.gz KEQJUTDVGSJXMJ-NSHDSACASA-N 1 1 329.360 1.589 20 5 EDBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000373896066 157053033 /nfs/dbraw/zinc/05/30/33/157053033.db2.gz PURRJQBEVUDBCZ-RWMBFGLXSA-N 1 1 332.360 1.252 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000374071185 157129998 /nfs/dbraw/zinc/12/99/98/157129998.db2.gz YCLQEYNJULMRSU-SQWLQELKSA-N 1 1 336.388 1.835 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000374347408 157254841 /nfs/dbraw/zinc/25/48/41/157254841.db2.gz BVWWOKFEEMYPCM-LLVKDONJSA-N 1 1 345.359 1.894 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374412737 157281956 /nfs/dbraw/zinc/28/19/56/157281956.db2.gz VWJBWENHVDUPHF-CHWSQXEVSA-N 1 1 349.387 1.900 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000378391593 158162533 /nfs/dbraw/zinc/16/25/33/158162533.db2.gz CNDLYIUWCUEUDX-OFQRWUPVSA-N 1 1 338.408 1.291 20 5 EDBDMO CC[N@@H+](C[C@H](C)O)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000352231104 162062729 /nfs/dbraw/zinc/06/27/29/162062729.db2.gz OXSVZWHDVDYFCL-WDEREUQCSA-N 1 1 325.365 1.633 20 5 EDBDMO CC[N@@H+](CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C(C)C ZINC000352374058 162147955 /nfs/dbraw/zinc/14/79/55/162147955.db2.gz VOFDEEHLMCNYIQ-UHFFFAOYSA-N 1 1 330.410 1.384 20 5 EDBDMO COC(=O)[C@@H](O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119509209 287353165 /nfs/dbraw/zinc/35/31/65/287353165.db2.gz UKEZNFSOMXCJOK-AWEZNQCLSA-N 1 1 342.779 1.994 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000124634883 287399419 /nfs/dbraw/zinc/39/94/19/287399419.db2.gz WKNCUBPSIANNHT-TXEJJXNPSA-N 1 1 325.390 1.418 20 5 EDBDMO O=C(CCCC[NH+]1CCOCC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171763395 227269123 /nfs/dbraw/zinc/26/91/23/227269123.db2.gz SAZPMORSOGBWIA-UHFFFAOYSA-N 1 1 335.404 1.756 20 5 EDBDMO C[C@@]1(CCCO)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273163210 273030814 /nfs/dbraw/zinc/03/08/14/273030814.db2.gz NWYPJBBDMZVBHL-PBHICJAKSA-N 1 1 338.404 1.962 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000273543118 273043025 /nfs/dbraw/zinc/04/30/25/273043025.db2.gz UAUALIOQOVMVQV-QSOAKEGCSA-N 1 1 332.404 1.360 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000277000246 273175456 /nfs/dbraw/zinc/17/54/56/273175456.db2.gz WWDZWZIULRNPPA-JTQLQIEISA-N 1 1 347.824 1.929 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000277353947 273191651 /nfs/dbraw/zinc/19/16/51/273191651.db2.gz BXFUOTJGSGCWPD-CYBMUJFWSA-N 1 1 349.387 1.398 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000283942391 274020038 /nfs/dbraw/zinc/02/00/38/274020038.db2.gz YCABLFYNYGXDCM-NEPJUHHUSA-N 1 1 334.376 1.758 20 5 EDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000284798157 274336628 /nfs/dbraw/zinc/33/66/28/274336628.db2.gz MUWAPWQNSHMFMK-ZACQAIPSSA-N 1 1 336.388 1.835 20 5 EDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000284798157 274336629 /nfs/dbraw/zinc/33/66/29/274336629.db2.gz MUWAPWQNSHMFMK-ZACQAIPSSA-N 1 1 336.388 1.835 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000186741956 288145934 /nfs/dbraw/zinc/14/59/34/288145934.db2.gz RIYJFYWASHKJRS-GFCCVEGCSA-N 1 1 336.392 1.904 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000369074102 280396204 /nfs/dbraw/zinc/39/62/04/280396204.db2.gz QLIZKURUMMYOLK-BETUJISGSA-N 1 1 339.417 1.727 20 5 EDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261700641 303009047 /nfs/dbraw/zinc/00/90/47/303009047.db2.gz JMAPYWLRGPSQGK-CYBMUJFWSA-N 1 1 349.778 1.768 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@H](C)[N@H+]1C ZINC000293973204 303046574 /nfs/dbraw/zinc/04/65/74/303046574.db2.gz MEFCBIAKEZQLEI-TXEJJXNPSA-N 1 1 344.375 1.340 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@H](C)[N@@H+]1C ZINC000293973204 303046575 /nfs/dbraw/zinc/04/65/75/303046575.db2.gz MEFCBIAKEZQLEI-TXEJJXNPSA-N 1 1 344.375 1.340 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000295429738 303217894 /nfs/dbraw/zinc/21/78/94/303217894.db2.gz URVZFYSTYAIKBX-LBPRGKRZSA-N 1 1 335.408 1.433 20 5 EDBDMO C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000296738925 303334627 /nfs/dbraw/zinc/33/46/27/303334627.db2.gz OSXHVYPMNGDLLW-ZDUSSCGKSA-N 1 1 332.404 1.949 20 5 EDBDMO NC(=O)c1ccc(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000362740848 303344300 /nfs/dbraw/zinc/34/43/00/303344300.db2.gz HZIFWVOZCAIJHC-UONOGXRCSA-N 1 1 348.403 1.119 20 5 EDBDMO COC[C@@]1(C)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000296904423 303345721 /nfs/dbraw/zinc/34/57/21/303345721.db2.gz VZAFTVVQMNWZJJ-KRWDZBQOSA-N 1 1 333.388 1.842 20 5 EDBDMO COC[C@@]1(C)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000296904423 303345723 /nfs/dbraw/zinc/34/57/23/303345723.db2.gz VZAFTVVQMNWZJJ-KRWDZBQOSA-N 1 1 333.388 1.842 20 5 EDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1(CO)CCC1 ZINC000429240353 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1.635 20 5 EDBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000451249908 305335308 /nfs/dbraw/zinc/33/53/08/305335308.db2.gz CWJHEZLBJTZRJW-RISCZKNCSA-N 1 1 337.376 1.635 20 5 EDBDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000451338474 305340150 /nfs/dbraw/zinc/34/01/50/305340150.db2.gz TZWAADJULQVUET-INIZCTEOSA-N 1 1 338.360 1.615 20 5 EDBDMO C[C@@H]([N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000451373270 305342099 /nfs/dbraw/zinc/34/20/99/305342099.db2.gz RPAVNVBWUWSLOY-LLVKDONJSA-N 1 1 337.376 1.984 20 5 EDBDMO CCc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000452395394 305397696 /nfs/dbraw/zinc/39/76/96/305397696.db2.gz WNZLTRGSJSVFQR-OAHLLOKOSA-N 1 1 335.404 1.734 20 5 EDBDMO CCn1nnc(C)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449026692 447360588 /nfs/dbraw/zinc/36/05/88/447360588.db2.gz GJQWIIJHBCZAFP-LBPRGKRZSA-N 1 1 331.380 1.596 20 5 EDBDMO CCn1nnc(C)c1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449026692 447360594 /nfs/dbraw/zinc/36/05/94/447360594.db2.gz GJQWIIJHBCZAFP-LBPRGKRZSA-N 1 1 331.380 1.596 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000539774582 306036525 /nfs/dbraw/zinc/03/65/25/306036525.db2.gz UYJXCUHSGISBLK-ZDUSSCGKSA-N 1 1 349.387 1.613 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000539774582 306036526 /nfs/dbraw/zinc/03/65/26/306036526.db2.gz UYJXCUHSGISBLK-ZDUSSCGKSA-N 1 1 349.387 1.613 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000542778270 306057995 /nfs/dbraw/zinc/05/79/95/306057995.db2.gz YPSSQJUBIDGCFO-CJNGLKHVSA-N 1 1 348.403 1.709 20 5 EDBDMO CC1(C)c2ccccc2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000552678704 306180811 /nfs/dbraw/zinc/18/08/11/306180811.db2.gz ZFFMLYOIXQKWLD-OAHLLOKOSA-N 1 1 330.388 1.946 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000080654986 441187409 /nfs/dbraw/zinc/18/74/09/441187409.db2.gz DUEVOQTZOZBEQJ-LLVKDONJSA-N 1 1 327.356 1.635 20 5 EDBDMO O=C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000072554060 441237380 /nfs/dbraw/zinc/23/73/80/441237380.db2.gz RADKPOKIGVDWNI-AWEZNQCLSA-N 1 1 348.403 1.330 20 5 EDBDMO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000081015983 441220298 /nfs/dbraw/zinc/22/02/98/441220298.db2.gz CFTKXPJPSUBALJ-CYBMUJFWSA-N 1 1 346.387 1.272 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000106863642 441380446 /nfs/dbraw/zinc/38/04/46/441380446.db2.gz OUPBIJSKXGFXHU-FZMZJTMJSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000106863642 441380448 /nfs/dbraw/zinc/38/04/48/441380448.db2.gz OUPBIJSKXGFXHU-FZMZJTMJSA-N 1 1 337.376 1.777 20 5 EDBDMO CN(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000065750220 441482117 /nfs/dbraw/zinc/48/21/17/441482117.db2.gz IWNLNYPRNLHZSH-UHFFFAOYSA-N 1 1 327.406 1.451 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000109067208 441487311 /nfs/dbraw/zinc/48/73/11/441487311.db2.gz FLWOHPDAUPFTDE-RKDXNWHRSA-N 1 1 347.824 1.928 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC)CC2)cc1OC ZINC000052929826 441487434 /nfs/dbraw/zinc/48/74/34/441487434.db2.gz GSEVUGQQNKLIPQ-UHFFFAOYSA-N 1 1 337.376 1.780 20 5 EDBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000111353098 441535427 /nfs/dbraw/zinc/53/54/27/441535427.db2.gz DTUNQZLVLFQYFM-HNNXBMFYSA-N 1 1 341.433 1.889 20 5 EDBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112922714 441569776 /nfs/dbraw/zinc/56/97/76/441569776.db2.gz MHTNTOSIADDKMJ-OAHLLOKOSA-N 1 1 348.447 1.527 20 5 EDBDMO COCC[NH+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000112913459 441566205 /nfs/dbraw/zinc/56/62/05/441566205.db2.gz QOPFVLOPSYJMCJ-UHFFFAOYSA-N 1 1 332.360 1.480 20 5 EDBDMO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000138697883 441796724 /nfs/dbraw/zinc/79/67/24/441796724.db2.gz PIXQPDWIMMSMSN-DOMZBBRYSA-N 1 1 347.371 1.874 20 5 EDBDMO C[C@@H]1CO[C@H](CO)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000138697883 441796731 /nfs/dbraw/zinc/79/67/31/441796731.db2.gz PIXQPDWIMMSMSN-DOMZBBRYSA-N 1 1 347.371 1.874 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000159390187 441809720 /nfs/dbraw/zinc/80/97/20/441809720.db2.gz YNSRIUZVLBIETC-MRXNPFEDSA-N 1 1 332.404 1.509 20 5 EDBDMO Cc1ccc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000122002556 441826772 /nfs/dbraw/zinc/82/67/72/441826772.db2.gz VOIIMOZYDBYZEA-CYBMUJFWSA-N 1 1 334.420 1.517 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000069129167 441895981 /nfs/dbraw/zinc/89/59/81/441895981.db2.gz ISIBHNSMWPATRP-NSHDSACASA-N 1 1 327.406 1.664 20 5 EDBDMO C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000150713498 441934284 /nfs/dbraw/zinc/93/42/84/441934284.db2.gz KOOVGNXVBXKTES-CYBMUJFWSA-N 1 1 337.376 1.058 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000078572486 441946221 /nfs/dbraw/zinc/94/62/21/441946221.db2.gz PTFCMBMYXPZUCR-GFCCVEGCSA-N 1 1 327.406 1.523 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000126229919 442090634 /nfs/dbraw/zinc/09/06/34/442090634.db2.gz LJFOJGPJBVBMIV-OCCSQVGLSA-N 1 1 349.387 1.585 20 5 EDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175362121 442049901 /nfs/dbraw/zinc/04/99/01/442049901.db2.gz MMOJFVRVXGKQPW-UHFFFAOYSA-N 1 1 333.385 1.744 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000126058995 442073827 /nfs/dbraw/zinc/07/38/27/442073827.db2.gz DWUKXPLNGWNKPR-YGRLFVJLSA-N 1 1 331.376 1.883 20 5 EDBDMO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000126058995 442073831 /nfs/dbraw/zinc/07/38/31/442073831.db2.gz DWUKXPLNGWNKPR-YGRLFVJLSA-N 1 1 331.376 1.883 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000126058995 442073838 /nfs/dbraw/zinc/07/38/38/442073838.db2.gz DWUKXPLNGWNKPR-YGRLFVJLSA-N 1 1 331.376 1.883 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC000162916599 442130650 /nfs/dbraw/zinc/13/06/50/442130650.db2.gz UXFIRNSUWCENPY-SMDDNHRTSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000162916599 442130652 /nfs/dbraw/zinc/13/06/52/442130652.db2.gz UXFIRNSUWCENPY-SMDDNHRTSA-N 1 1 337.376 1.635 20 5 EDBDMO CN(C)S(=O)(=O)CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153283201 442272872 /nfs/dbraw/zinc/27/28/72/442272872.db2.gz DSMMLBHVEGRQFL-UHFFFAOYSA-N 1 1 327.406 1.234 20 5 EDBDMO CN(C)S(=O)(=O)CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153283201 442272875 /nfs/dbraw/zinc/27/28/75/442272875.db2.gz DSMMLBHVEGRQFL-UHFFFAOYSA-N 1 1 327.406 1.234 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000177474088 442346441 /nfs/dbraw/zinc/34/64/41/442346441.db2.gz PTHPPIYXHVBRTM-MRXNPFEDSA-N 1 1 335.360 1.808 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155356267 442390925 /nfs/dbraw/zinc/39/09/25/442390925.db2.gz YXTUAVQVMXAICC-OAHLLOKOSA-N 1 1 341.433 1.841 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000172020233 442400435 /nfs/dbraw/zinc/40/04/35/442400435.db2.gz KXNGQGJEIMONNO-NSHDSACASA-N 1 1 327.406 1.664 20 5 EDBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000155558384 442407956 /nfs/dbraw/zinc/40/79/56/442407956.db2.gz MTHFJDLQSUOXDD-UHFFFAOYSA-N 1 1 329.422 1.397 20 5 EDBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178858512 442504862 /nfs/dbraw/zinc/50/48/62/442504862.db2.gz CPDRMPFAQILPMY-ZBFHGGJFSA-N 1 1 335.404 1.866 20 5 EDBDMO CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000156352522 442471103 /nfs/dbraw/zinc/47/11/03/442471103.db2.gz BLRUYOKMMLLZOM-JSGCOSHPSA-N 1 1 348.403 1.722 20 5 EDBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178923015 442526600 /nfs/dbraw/zinc/52/66/00/442526600.db2.gz MJXFFNQTVKXECW-UHFFFAOYSA-N 1 1 345.403 1.818 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000191863422 442526614 /nfs/dbraw/zinc/52/66/14/442526614.db2.gz POQKEMWCZBGMNV-JSGCOSHPSA-N 1 1 347.419 1.900 20 5 EDBDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000173266058 442635825 /nfs/dbraw/zinc/63/58/25/442635825.db2.gz ILRNKTQKLDESSL-VHSXEESVSA-N 1 1 333.435 1.760 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000192921156 442698234 /nfs/dbraw/zinc/69/82/34/442698234.db2.gz OPUXRHRGQWTWJW-TXEJJXNPSA-N 1 1 325.390 1.085 20 5 EDBDMO CC[N@@H+]1CCc2nc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)sc2C1 ZINC000193385665 442737818 /nfs/dbraw/zinc/73/78/18/442737818.db2.gz UVOOWYDULYPYFM-UHFFFAOYSA-N 1 1 349.372 1.782 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000182217757 442747001 /nfs/dbraw/zinc/74/70/01/442747001.db2.gz OJDGFSQQBSAEFW-UONOGXRCSA-N 1 1 346.387 1.937 20 5 EDBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000193580016 442755765 /nfs/dbraw/zinc/75/57/65/442755765.db2.gz IOUZNXFJAYIQOT-CYBMUJFWSA-N 1 1 349.435 1.302 20 5 EDBDMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1c([N+](=O)[O-])ncn1C ZINC000265477190 442787986 /nfs/dbraw/zinc/78/79/86/442787986.db2.gz RHTWKHBDYKLKSQ-ZDUSSCGKSA-N 1 1 345.407 1.346 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000193871770 442802634 /nfs/dbraw/zinc/80/26/34/442802634.db2.gz WEOXCDZAWPFJJS-JTQLQIEISA-N 1 1 343.380 1.497 20 5 EDBDMO C[C@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[N@@H+](C)C1CC1 ZINC000183010088 442864351 /nfs/dbraw/zinc/86/43/51/442864351.db2.gz VCKYWOHIARJGEE-BDJLRTHQSA-N 1 1 346.387 1.687 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000268158790 442875798 /nfs/dbraw/zinc/87/57/98/442875798.db2.gz IVGRSCCPUNINFG-HZMBPMFUSA-N 1 1 346.387 1.441 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000248673279 442916262 /nfs/dbraw/zinc/91/62/62/442916262.db2.gz GWPXDSWTZVEYJT-ZBEGNZNMSA-N 1 1 332.360 1.638 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000248863037 442931956 /nfs/dbraw/zinc/93/19/56/442931956.db2.gz ALPLTPPROHUBNR-TZMCWYRMSA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000248863037 442931962 /nfs/dbraw/zinc/93/19/62/442931962.db2.gz ALPLTPPROHUBNR-TZMCWYRMSA-N 1 1 337.376 1.313 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000248900350 442936605 /nfs/dbraw/zinc/93/66/05/442936605.db2.gz HFPDNECSKDZQSL-IAQYHMDHSA-N 1 1 337.376 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000248900350 442936608 /nfs/dbraw/zinc/93/66/08/442936608.db2.gz HFPDNECSKDZQSL-IAQYHMDHSA-N 1 1 337.376 1.635 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000249594349 442992532 /nfs/dbraw/zinc/99/25/32/442992532.db2.gz WJPZYYIQONWRPC-ABAIWWIYSA-N 1 1 348.403 1.818 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189432700 442951905 /nfs/dbraw/zinc/95/19/05/442951905.db2.gz ZIMWFXFLXJRMBR-CQSZACIVSA-N 1 1 337.420 1.751 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000249771074 443005037 /nfs/dbraw/zinc/00/50/37/443005037.db2.gz SNLLKSVHFVTTJH-GXTWGEPZSA-N 1 1 348.403 1.314 20 5 EDBDMO CN(CC[N@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000184789708 443077072 /nfs/dbraw/zinc/07/70/72/443077072.db2.gz VBTCMUDTXJJUQT-UHFFFAOYSA-N 1 1 327.406 1.529 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000184789708 443077074 /nfs/dbraw/zinc/07/70/74/443077074.db2.gz VBTCMUDTXJJUQT-UHFFFAOYSA-N 1 1 327.406 1.529 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000268884705 443137254 /nfs/dbraw/zinc/13/72/54/443137254.db2.gz WZFBZWRUVNKQEJ-OAHLLOKOSA-N 1 1 348.403 1.346 20 5 EDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000268899062 443140781 /nfs/dbraw/zinc/14/07/81/443140781.db2.gz ZLIKQLDITGAXIT-AWEZNQCLSA-N 1 1 333.392 1.041 20 5 EDBDMO C[N@@H+](Cc1nc2ccccc2s1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266482117 443141383 /nfs/dbraw/zinc/14/13/83/443141383.db2.gz TXQLGOFWXVLKOZ-GFCCVEGCSA-N 1 1 347.400 1.894 20 5 EDBDMO C[N@H+](Cc1nc2ccccc2s1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266482117 443141386 /nfs/dbraw/zinc/14/13/86/443141386.db2.gz TXQLGOFWXVLKOZ-GFCCVEGCSA-N 1 1 347.400 1.894 20 5 EDBDMO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000255777401 443110577 /nfs/dbraw/zinc/11/05/77/443110577.db2.gz WBCASBGLKHXQPR-DETOXJSWSA-N 1 1 345.399 1.787 20 5 EDBDMO CCc1n[nH]c(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000190710399 443168517 /nfs/dbraw/zinc/16/85/17/443168517.db2.gz ZIQKPWDFTISSCL-UHFFFAOYSA-N 1 1 346.391 1.317 20 5 EDBDMO CCc1nc(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n[nH]1 ZINC000190710399 443168524 /nfs/dbraw/zinc/16/85/24/443168524.db2.gz ZIQKPWDFTISSCL-UHFFFAOYSA-N 1 1 346.391 1.317 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000269031968 443177914 /nfs/dbraw/zinc/17/79/14/443177914.db2.gz ANRMAOSAUFPOAQ-RDJZCZTQSA-N 1 1 345.403 1.729 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190847815 443195474 /nfs/dbraw/zinc/19/54/74/443195474.db2.gz CUMKAXXLMVWODT-STQMWFEESA-N 1 1 339.392 1.295 20 5 EDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000268956771 443159046 /nfs/dbraw/zinc/15/90/46/443159046.db2.gz DOPJPXCPLNWVGX-WMLDXEAASA-N 1 1 346.431 1.894 20 5 EDBDMO CNc1nc(-c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351100887 319092636 /nfs/dbraw/zinc/09/26/36/319092636.db2.gz ZHNXXOMSFXUOSP-JOYOIKCWSA-N 1 1 346.347 1.617 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000411610652 319188030 /nfs/dbraw/zinc/18/80/30/319188030.db2.gz YIAFRUNNTWVBDF-JQWIXIFHSA-N 1 1 341.339 1.337 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000411662605 319193786 /nfs/dbraw/zinc/19/37/86/319193786.db2.gz BYJJFSMEUUMGND-CYBMUJFWSA-N 1 1 348.403 1.690 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000412076012 319223721 /nfs/dbraw/zinc/22/37/21/319223721.db2.gz KMYNJILBFRIBMT-ZDUSSCGKSA-N 1 1 348.403 1.831 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000412076012 319223722 /nfs/dbraw/zinc/22/37/22/319223722.db2.gz KMYNJILBFRIBMT-ZDUSSCGKSA-N 1 1 348.403 1.831 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185975261 443292686 /nfs/dbraw/zinc/29/26/86/443292686.db2.gz VDKSZPNNVYDETC-DOMZBBRYSA-N 1 1 339.417 1.700 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000264562609 443327508 /nfs/dbraw/zinc/32/75/08/443327508.db2.gz QWRXLDKNYBJCHI-NSHDSACASA-N 1 1 327.768 1.699 20 5 EDBDMO CCCCC[N@H+](CC(N)=O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000272479090 443333055 /nfs/dbraw/zinc/33/30/55/443333055.db2.gz AWCBEFGKUOUUMH-AWEZNQCLSA-N 1 1 339.392 1.312 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@@H]2C1 ZINC000272661946 443401116 /nfs/dbraw/zinc/40/11/16/443401116.db2.gz ROQJJSJKSDUKJI-GXFFZTMASA-N 1 1 333.344 1.490 20 5 EDBDMO C[C@H](O)C[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000269795477 443444605 /nfs/dbraw/zinc/44/46/05/443444605.db2.gz KUARSQQNKJJCFS-GXTWGEPZSA-N 1 1 333.388 1.719 20 5 EDBDMO COc1ccc(C(=O)NCc2c[nH+]c(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000265075165 443524868 /nfs/dbraw/zinc/52/48/68/443524868.db2.gz VJEUISCHHTXJIU-UHFFFAOYSA-N 1 1 333.348 1.333 20 5 EDBDMO CC(C)[N@@H+](C)CCCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273043986 443527476 /nfs/dbraw/zinc/52/74/76/443527476.db2.gz TWIVBMGOWKKMCW-INIZCTEOSA-N 1 1 348.403 1.934 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000265245179 443582219 /nfs/dbraw/zinc/58/22/19/443582219.db2.gz VBFUZKVWHOXFDD-GFCCVEGCSA-N 1 1 341.433 1.776 20 5 EDBDMO C[N@@H+]1CC=C(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000273976915 443589913 /nfs/dbraw/zinc/58/99/13/443589913.db2.gz QBLBXJQSMNRBAX-UHFFFAOYSA-N 1 1 325.390 1.276 20 5 EDBDMO O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000279692554 443618614 /nfs/dbraw/zinc/61/86/14/443618614.db2.gz IGXJYYMVNAGXOQ-KRWDZBQOSA-N 1 1 344.415 1.870 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCCn2cc[nH+]c2C)n1 ZINC000286182339 443663114 /nfs/dbraw/zinc/66/31/14/443663114.db2.gz LBUNWDLJUDPJBF-UHFFFAOYSA-N 1 1 333.348 1.808 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000286206341 443667611 /nfs/dbraw/zinc/66/76/11/443667611.db2.gz OFAXIGTVCBIQIS-YUSALJHKSA-N 1 1 334.376 1.283 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000280784560 443744940 /nfs/dbraw/zinc/74/49/40/443744940.db2.gz QKKCDEFFGTYQFX-FRRDWIJNSA-N 1 1 338.360 1.075 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298511016 443787257 /nfs/dbraw/zinc/78/72/57/443787257.db2.gz WVLVWKZEOWKSQS-KBPBESRZSA-N 1 1 339.417 1.808 20 5 EDBDMO C[C@H](CO)[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000276622776 443768885 /nfs/dbraw/zinc/76/88/85/443768885.db2.gz UWUPSNFYRFGVAK-HIFRSBDPSA-N 1 1 338.404 1.960 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000298468202 443776430 /nfs/dbraw/zinc/77/64/30/443776430.db2.gz ADSHWCUMPHKLEB-CJNGLKHVSA-N 1 1 336.388 1.835 20 5 EDBDMO Cc1cc(OCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281551842 443941255 /nfs/dbraw/zinc/94/12/55/443941255.db2.gz XSJRIVKLXKHVFV-UONOGXRCSA-N 1 1 333.388 1.977 20 5 EDBDMO CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000285226416 443902538 /nfs/dbraw/zinc/90/25/38/443902538.db2.gz XCVBDONHGHHUKC-OAHLLOKOSA-N 1 1 348.403 1.373 20 5 EDBDMO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000281461963 443918769 /nfs/dbraw/zinc/91/87/69/443918769.db2.gz RFCWKUULKUUQOP-HNNXBMFYSA-N 1 1 331.376 1.717 20 5 EDBDMO Cn1nccc1[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000281461963 443918775 /nfs/dbraw/zinc/91/87/75/443918775.db2.gz RFCWKUULKUUQOP-HNNXBMFYSA-N 1 1 331.376 1.717 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000293311575 443980643 /nfs/dbraw/zinc/98/06/43/443980643.db2.gz QHKGGIDYBBELOG-YESZJQIVSA-N 1 1 335.404 1.423 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000285433948 443983059 /nfs/dbraw/zinc/98/30/59/443983059.db2.gz WXMOCWDOFVFUOV-GJZGRUSLSA-N 1 1 327.331 1.778 20 5 EDBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000548169741 320865389 /nfs/dbraw/zinc/86/53/89/320865389.db2.gz UYRFIZSPCKRJAB-NSHDSACASA-N 1 1 332.364 1.392 20 5 EDBDMO COc1ccc(CNC(=O)NCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000299518959 444068932 /nfs/dbraw/zinc/06/89/32/444068932.db2.gz WBDGHNWHBSIWPC-UHFFFAOYSA-N 1 1 333.348 1.608 20 5 EDBDMO C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@@H+](C)C1CC1 ZINC000278200716 444116106 /nfs/dbraw/zinc/11/61/06/444116106.db2.gz PVNSVYJTKYZIKY-SNVBAGLBSA-N 1 1 346.391 1.753 20 5 EDBDMO COC(=O)c1cc(NC[C@@H](C)[N@@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301253451 444158862 /nfs/dbraw/zinc/15/88/62/444158862.db2.gz SILZDJDGIURCPS-NEPJUHHUSA-N 1 1 337.376 1.903 20 5 EDBDMO COC(=O)c1cc(NC[C@@H](C)[N@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301253451 444158866 /nfs/dbraw/zinc/15/88/66/444158866.db2.gz SILZDJDGIURCPS-NEPJUHHUSA-N 1 1 337.376 1.903 20 5 EDBDMO O=[N+]([O-])c1cnc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)nc1 ZINC000302243534 444210662 /nfs/dbraw/zinc/21/06/62/444210662.db2.gz ZBSQFKZJWJXOJJ-UKRRQHHQSA-N 1 1 329.360 1.432 20 5 EDBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cn1 ZINC000302441894 444213497 /nfs/dbraw/zinc/21/34/97/444213497.db2.gz NHBPWIBJQJEEHR-QGZVFWFLSA-N 1 1 343.387 1.458 20 5 EDBDMO CC1(C)C[C@@H](O)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000296270162 444216617 /nfs/dbraw/zinc/21/66/17/444216617.db2.gz YFMTYGQKSIPSQI-HNNXBMFYSA-N 1 1 347.415 1.967 20 5 EDBDMO CC(C)C[N@H+]1CC[C@@H](CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301599851 444181402 /nfs/dbraw/zinc/18/14/02/444181402.db2.gz IGGDSCUFYGTWQR-ZDUSSCGKSA-N 1 1 345.403 1.993 20 5 EDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301897043 444195989 /nfs/dbraw/zinc/19/59/89/444195989.db2.gz QUZVJYOUYPYNCH-LBPRGKRZSA-N 1 1 341.433 1.776 20 5 EDBDMO COC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000296536094 444236670 /nfs/dbraw/zinc/23/66/70/444236670.db2.gz BDXJZNPBCZFGSF-INIZCTEOSA-N 1 1 337.376 1.900 20 5 EDBDMO COC[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000296536094 444236673 /nfs/dbraw/zinc/23/66/73/444236673.db2.gz BDXJZNPBCZFGSF-INIZCTEOSA-N 1 1 337.376 1.900 20 5 EDBDMO Cc1sc(C(=O)NCCC[N@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000290726063 444315530 /nfs/dbraw/zinc/31/55/30/444315530.db2.gz WAGUPHVCYVZSNN-UHFFFAOYSA-N 1 1 328.438 1.578 20 5 EDBDMO Cc1sc(C(=O)NCCCN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000290726063 444315532 /nfs/dbraw/zinc/31/55/32/444315532.db2.gz WAGUPHVCYVZSNN-UHFFFAOYSA-N 1 1 328.438 1.578 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000290540373 444293197 /nfs/dbraw/zinc/29/31/97/444293197.db2.gz DEFQHZSPNOIIOF-UHFFFAOYSA-N 1 1 342.827 1.862 20 5 EDBDMO CN(CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)CC[NH+](C)C ZINC000290540373 444293199 /nfs/dbraw/zinc/29/31/99/444293199.db2.gz DEFQHZSPNOIIOF-UHFFFAOYSA-N 1 1 342.827 1.862 20 5 EDBDMO Cc1c(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cccc1[N+](=O)[O-] ZINC000297509285 444295259 /nfs/dbraw/zinc/29/52/59/444295259.db2.gz RAMOHPJPZMYDFH-CYBMUJFWSA-N 1 1 336.392 1.872 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000331526799 444475516 /nfs/dbraw/zinc/47/55/16/444475516.db2.gz OTVFSVGIOHNJKY-QMTHXVAHSA-N 1 1 325.390 1.356 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000338014346 444486564 /nfs/dbraw/zinc/48/65/64/444486564.db2.gz GMSAIVHXENVCOX-OAHLLOKOSA-N 1 1 335.404 1.990 20 5 EDBDMO CCOCC[NH+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000580143454 322013117 /nfs/dbraw/zinc/01/31/17/322013117.db2.gz VVNVZCQYUZSGRC-AWEZNQCLSA-N 1 1 335.404 1.879 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000342245508 444585339 /nfs/dbraw/zinc/58/53/39/444585339.db2.gz JZPVFKNDMGVQQH-TVQRCGJNSA-N 1 1 340.405 1.137 20 5 EDBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CC(=O)N(C)C1=O ZINC000338329785 444636743 /nfs/dbraw/zinc/63/67/43/444636743.db2.gz MHLMEQQJLVLUAQ-ZDUSSCGKSA-N 1 1 335.360 1.573 20 5 EDBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CC(=O)N(C)C1=O ZINC000338329785 444636748 /nfs/dbraw/zinc/63/67/48/444636748.db2.gz MHLMEQQJLVLUAQ-ZDUSSCGKSA-N 1 1 335.360 1.573 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000338724071 444821802 /nfs/dbraw/zinc/82/18/02/444821802.db2.gz NPGOIBXALQQBTH-JTQLQIEISA-N 1 1 333.435 1.667 20 5 EDBDMO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000344377064 444928910 /nfs/dbraw/zinc/92/89/10/444928910.db2.gz XKYATIKYGVFJGW-UONOGXRCSA-N 1 1 348.359 1.881 20 5 EDBDMO COC[C@@H]1C[C@@H](OC)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000344377064 444928914 /nfs/dbraw/zinc/92/89/14/444928914.db2.gz XKYATIKYGVFJGW-UONOGXRCSA-N 1 1 348.359 1.881 20 5 EDBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330393827 444964343 /nfs/dbraw/zinc/96/43/43/444964343.db2.gz CLWXMYSDRROLNK-CYBMUJFWSA-N 1 1 335.408 1.165 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cn3c([nH+]2)CCCC3)n1 ZINC000341743137 444981568 /nfs/dbraw/zinc/98/15/68/444981568.db2.gz NOUBAGINJQSLDE-UHFFFAOYSA-N 1 1 345.359 1.964 20 5 EDBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339026441 444994047 /nfs/dbraw/zinc/99/40/47/444994047.db2.gz YVRDFZVDBVZXAM-GHMZBOCLSA-N 1 1 340.405 1.281 20 5 EDBDMO CO[C@@H]1C[C@H](CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000344490532 445007203 /nfs/dbraw/zinc/00/72/03/445007203.db2.gz DQJHEPVZVAJSGZ-UKRRQHHQSA-N 1 1 337.376 1.151 20 5 EDBDMO Cc1n[nH]c(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000343061097 445034886 /nfs/dbraw/zinc/03/48/86/445034886.db2.gz CBHZQAQZIKWQPJ-STQMWFEESA-N 1 1 329.360 1.454 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)[N@@H+](C)C1 ZINC000344493315 445009008 /nfs/dbraw/zinc/00/90/08/445009008.db2.gz HFMMDOITGGVPBG-LSDHHAIUSA-N 1 1 335.404 1.623 20 5 EDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330621789 445066271 /nfs/dbraw/zinc/06/62/71/445066271.db2.gz BVSGVJKBTDCFKG-QWHCGFSZSA-N 1 1 348.403 1.266 20 5 EDBDMO CC[N@H+](CCOCCO)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000337434919 445079279 /nfs/dbraw/zinc/07/92/79/445079279.db2.gz IBCYXQNWEWWYGS-UHFFFAOYSA-N 1 1 325.365 1.173 20 5 EDBDMO CC[N@@H+](CCOCCO)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000337434919 445079283 /nfs/dbraw/zinc/07/92/83/445079283.db2.gz IBCYXQNWEWWYGS-UHFFFAOYSA-N 1 1 325.365 1.173 20 5 EDBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000344744913 445138806 /nfs/dbraw/zinc/13/88/06/445138806.db2.gz DLYYNDWAHXSZLW-UHFFFAOYSA-N 1 1 337.424 1.031 20 5 EDBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000344744913 445138811 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CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000343567628 445245495 /nfs/dbraw/zinc/24/54/95/445245495.db2.gz JNGMOVRVMKUCIE-CQSZACIVSA-N 1 1 349.387 1.986 20 5 EDBDMO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000348180936 445307487 /nfs/dbraw/zinc/30/74/87/445307487.db2.gz MXVIHXVSGNFYCA-MRXNPFEDSA-N 1 1 344.415 1.652 20 5 EDBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000348527159 445315058 /nfs/dbraw/zinc/31/50/58/445315058.db2.gz HWGAOOZXKRLWAQ-JQWIXIFHSA-N 1 1 345.359 1.731 20 5 EDBDMO COc1cc(OCC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363035635 445656456 /nfs/dbraw/zinc/65/64/56/445656456.db2.gz RJCMBGOHDNEEDO-OLZOCXBDSA-N 1 1 349.387 1.725 20 5 EDBDMO CC1=CC[N@@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000349976884 445739751 /nfs/dbraw/zinc/73/97/51/445739751.db2.gz XMNIITWNONTBTO-UHFFFAOYSA-N 1 1 347.371 1.748 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000363405749 445791003 /nfs/dbraw/zinc/79/10/03/445791003.db2.gz UBEIOSPGSCDIFZ-MNOVXSKESA-N 1 1 345.446 1.904 20 5 EDBDMO C[C@@H]1OCC[C@H]1[N@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000361584575 445832822 /nfs/dbraw/zinc/83/28/22/445832822.db2.gz NYJQEMCHZFPJLF-SWLSCSKDSA-N 1 1 337.376 1.029 20 5 EDBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000361584575 445832827 /nfs/dbraw/zinc/83/28/27/445832827.db2.gz NYJQEMCHZFPJLF-SWLSCSKDSA-N 1 1 337.376 1.029 20 5 EDBDMO COc1ccccc1[C@@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])[NH+](C)C ZINC000354068868 445885526 /nfs/dbraw/zinc/88/55/26/445885526.db2.gz UJOPGAFHYDBTLV-GFCCVEGCSA-N 1 1 347.375 1.668 20 5 EDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000354020799 445858812 /nfs/dbraw/zinc/85/88/12/445858812.db2.gz UUKWUEZJFACWDL-GFCCVEGCSA-N 1 1 344.375 1.342 20 5 EDBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000356736047 445977864 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SDVYITMDOUQMPO-GXTWGEPZSA-N 1 1 346.387 1.524 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411351272 446503399 /nfs/dbraw/zinc/50/33/99/446503399.db2.gz FXVWWHWDXWZVCV-DGCLKSJQSA-N 1 1 334.376 1.441 20 5 EDBDMO Cn1cc([C@H]2[C@H](CNc3ncc([N+](=O)[O-])s3)CCC[N@@H+]2C)cn1 ZINC000367147767 446514944 /nfs/dbraw/zinc/51/49/44/446514944.db2.gz VAKOJTZKFNTAPX-GXFFZTMASA-N 1 1 336.421 2.280 20 5 EDBDMO Cn1cc([C@H]2[C@H](CNc3ncc([N+](=O)[O-])s3)CCC[N@H+]2C)cn1 ZINC000367147767 446514953 /nfs/dbraw/zinc/51/49/53/446514953.db2.gz VAKOJTZKFNTAPX-GXFFZTMASA-N 1 1 336.421 2.280 20 5 EDBDMO Cc1c(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000411680228 446644911 /nfs/dbraw/zinc/64/49/11/446644911.db2.gz XKIDJKJNBLKKCS-ZDUSSCGKSA-N 1 1 348.403 1.690 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@@H](C)C1 ZINC000371110515 446633718 /nfs/dbraw/zinc/63/37/18/446633718.db2.gz ZDXBFHOZXONVCH-LBPRGKRZSA-N 1 1 337.376 1.900 20 5 EDBDMO Cc1nn(CCC(=O)NCc2c[nH+]c3n2CCCC3)c(C)c1[N+](=O)[O-] ZINC000375291688 446696705 /nfs/dbraw/zinc/69/67/05/446696705.db2.gz HPTQBDPSIHOBBO-UHFFFAOYSA-N 1 1 346.391 1.647 20 5 EDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000411923283 446732995 /nfs/dbraw/zinc/73/29/95/446732995.db2.gz NJAQILLTMHGZFQ-RYUDHWBXSA-N 1 1 326.349 1.064 20 5 EDBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)CN1 ZINC000371298005 446754847 /nfs/dbraw/zinc/75/48/47/446754847.db2.gz QFLFHZQYXZOPSD-XJKSGUPXSA-N 1 1 333.388 1.964 20 5 EDBDMO Cc1sc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000420730454 446776571 /nfs/dbraw/zinc/77/65/71/446776571.db2.gz DEMRSIGKZVDBEV-SNVBAGLBSA-N 1 1 333.435 1.679 20 5 EDBDMO Cc1sc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000420730454 446776575 /nfs/dbraw/zinc/77/65/75/446776575.db2.gz DEMRSIGKZVDBEV-SNVBAGLBSA-N 1 1 333.435 1.679 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000454141022 446789597 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VGFPHBGSGCLAJJ-AWEZNQCLSA-N 1 1 336.392 1.839 20 5 EDBDMO C[C@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000412098967 446858858 /nfs/dbraw/zinc/85/88/58/446858858.db2.gz VXEWEYASKLWDBZ-GXTWGEPZSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000412098967 446858866 /nfs/dbraw/zinc/85/88/66/446858866.db2.gz VXEWEYASKLWDBZ-GXTWGEPZSA-N 1 1 333.388 1.577 20 5 EDBDMO Cc1nc(N2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000371461543 446872098 /nfs/dbraw/zinc/87/20/98/446872098.db2.gz YPPITSGXOMWXSB-CYBMUJFWSA-N 1 1 333.436 1.903 20 5 EDBDMO Cc1nc(N2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000371461543 446872108 /nfs/dbraw/zinc/87/21/08/446872108.db2.gz YPPITSGXOMWXSB-CYBMUJFWSA-N 1 1 333.436 1.903 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1F ZINC000412238571 446908113 /nfs/dbraw/zinc/90/81/13/446908113.db2.gz AOOPSHMEDKXTTL-ZYHUDNBSSA-N 1 1 339.367 1.884 20 5 EDBDMO CC(C)Oc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000412245293 446909525 /nfs/dbraw/zinc/90/95/25/446909525.db2.gz HQUHTUSAELQKSW-MRXNPFEDSA-N 1 1 337.376 1.178 20 5 EDBDMO CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000442580657 446910086 /nfs/dbraw/zinc/91/00/86/446910086.db2.gz QILLTVVBKWZXIC-UHFFFAOYSA-N 1 1 348.403 1.772 20 5 EDBDMO CNC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000420973225 446942808 /nfs/dbraw/zinc/94/28/08/446942808.db2.gz LBKJJUZSARMPBF-LBPRGKRZSA-N 1 1 334.376 1.300 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000377197134 446985575 /nfs/dbraw/zinc/98/55/75/446985575.db2.gz PGZVXZYYMBHOJW-BZUAXINKSA-N 1 1 336.388 1.965 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000444388776 447101046 /nfs/dbraw/zinc/10/10/46/447101046.db2.gz YZGANHXOMRYYPT-NSHDSACASA-N 1 1 336.392 1.215 20 5 EDBDMO C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000377477751 447151223 /nfs/dbraw/zinc/15/12/23/447151223.db2.gz OGBJXIVXDXNDOH-DZGCQCFKSA-N 1 1 346.387 1.068 20 5 EDBDMO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000368847741 447157007 /nfs/dbraw/zinc/15/70/07/447157007.db2.gz ZXPIYVSOFHPISR-CQSZACIVSA-N 1 1 335.364 1.687 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000425549835 447226516 /nfs/dbraw/zinc/22/65/16/447226516.db2.gz OHLPXWAAQKYREK-LBPRGKRZSA-N 1 1 344.375 1.839 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000421882749 447267560 /nfs/dbraw/zinc/26/75/60/447267560.db2.gz CWLUJVAKQVEGMS-CQSZACIVSA-N 1 1 335.404 1.788 20 5 EDBDMO C[C@H](C(=O)N1CC[N@H+](CCO)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000457089013 447512503 /nfs/dbraw/zinc/51/25/03/447512503.db2.gz CRGOLALYTDAONY-RYUDHWBXSA-N 1 1 339.367 1.362 20 5 EDBDMO C[C@H](C(=O)N1CC[N@@H+](CCO)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000457089013 447512505 /nfs/dbraw/zinc/51/25/05/447512505.db2.gz CRGOLALYTDAONY-RYUDHWBXSA-N 1 1 339.367 1.362 20 5 EDBDMO O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450600300 447536598 /nfs/dbraw/zinc/53/65/98/447536598.db2.gz VLLSAMINLLBDCD-CQSZACIVSA-N 1 1 330.388 2.402 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000416493836 447624753 /nfs/dbraw/zinc/62/47/53/447624753.db2.gz GOZKGUNVIIIMPT-GFCCVEGCSA-N 1 1 327.406 1.442 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000408145886 447633629 /nfs/dbraw/zinc/63/36/29/447633629.db2.gz LMAZLXPEWODPKQ-JSGCOSHPSA-N 1 1 339.417 1.618 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000408145886 447633631 /nfs/dbraw/zinc/63/36/31/447633631.db2.gz LMAZLXPEWODPKQ-JSGCOSHPSA-N 1 1 339.417 1.618 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451023830 447654074 /nfs/dbraw/zinc/65/40/74/447654074.db2.gz GKJVMPGWZOANQQ-UHFFFAOYSA-N 1 1 326.356 1.941 20 5 EDBDMO Cc1ccc(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416725322 447681208 /nfs/dbraw/zinc/68/12/08/447681208.db2.gz JIWUCYNPKCHXHP-QWHCGFSZSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1ccc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416725322 447681209 /nfs/dbraw/zinc/68/12/09/447681209.db2.gz JIWUCYNPKCHXHP-QWHCGFSZSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1ccc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416725316 447681454 /nfs/dbraw/zinc/68/14/54/447681454.db2.gz JIWUCYNPKCHXHP-CHWSQXEVSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1ccc(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416725316 447681462 /nfs/dbraw/zinc/68/14/62/447681462.db2.gz JIWUCYNPKCHXHP-CHWSQXEVSA-N 1 1 336.392 1.822 20 5 EDBDMO O=C(CC[N@@H+]1CC[C@](O)(C(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451432315 447732337 /nfs/dbraw/zinc/73/23/37/447732337.db2.gz OMWDGSZDHNQDNP-CQSZACIVSA-N 1 1 329.303 1.625 20 5 EDBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000458223574 447748246 /nfs/dbraw/zinc/74/82/46/447748246.db2.gz RIXVDYZIPHPZJR-LLVKDONJSA-N 1 1 335.360 1.785 20 5 EDBDMO C[C@H]1C[C@@H](Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC[N@H+]1C ZINC000524688766 447940678 /nfs/dbraw/zinc/94/06/78/447940678.db2.gz HTLPALCSSPNRLC-UWVGGRQHSA-N 1 1 328.394 1.137 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[N@H+]1C1CC1 ZINC000530767563 447952599 /nfs/dbraw/zinc/95/25/99/447952599.db2.gz QGENBSLUEMYRHA-GHMZBOCLSA-N 1 1 347.371 1.721 20 5 EDBDMO CNc1nccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000575933701 447932969 /nfs/dbraw/zinc/93/29/69/447932969.db2.gz SODAPIPMONDXMY-YPMHNXCESA-N 1 1 333.392 1.588 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000576085364 447966298 /nfs/dbraw/zinc/96/62/98/447966298.db2.gz KVBADPBQTQEQMM-ZDUSSCGKSA-N 1 1 336.392 1.839 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCc3cn[nH]c3C2)c1 ZINC000576101379 447972185 /nfs/dbraw/zinc/97/21/85/447972185.db2.gz RQYAJWGUIZVWCG-GXTWGEPZSA-N 1 1 332.360 1.205 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3cn[nH]c3C2)c1 ZINC000576101380 447972262 /nfs/dbraw/zinc/97/22/62/447972262.db2.gz RQYAJWGUIZVWCG-JSGCOSHPSA-N 1 1 332.360 1.205 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000525819280 448032360 /nfs/dbraw/zinc/03/23/60/448032360.db2.gz ONQURDRUSOSTKE-NSHDSACASA-N 1 1 343.405 1.224 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000526011812 448079092 /nfs/dbraw/zinc/07/90/92/448079092.db2.gz RRZKXBZDYCSWCX-RDBSUJKOSA-N 1 1 335.404 1.612 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000526011812 448079097 /nfs/dbraw/zinc/07/90/97/448079097.db2.gz RRZKXBZDYCSWCX-RDBSUJKOSA-N 1 1 335.404 1.612 20 5 EDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000507504298 448143630 /nfs/dbraw/zinc/14/36/30/448143630.db2.gz ITZZNSDYOZKHKB-YPMHNXCESA-N 1 1 329.360 1.883 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531823626 448153163 /nfs/dbraw/zinc/15/31/63/448153163.db2.gz KJKSTQQFXCUAPP-BXKDBHETSA-N 1 1 333.344 1.536 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000591011388 448230629 /nfs/dbraw/zinc/23/06/29/448230629.db2.gz HPFBKPITUIRUGL-LBPRGKRZSA-N 1 1 334.376 1.361 20 5 EDBDMO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000582543079 448268718 /nfs/dbraw/zinc/26/87/18/448268718.db2.gz OXUCFHDNDNFKHG-LBPRGKRZSA-N 1 1 339.417 1.672 20 5 EDBDMO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000582543079 448268725 /nfs/dbraw/zinc/26/87/25/448268725.db2.gz OXUCFHDNDNFKHG-LBPRGKRZSA-N 1 1 339.417 1.672 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000577844126 448400495 /nfs/dbraw/zinc/40/04/95/448400495.db2.gz CHHNUXXDJLCQMQ-AWEZNQCLSA-N 1 1 347.419 1.620 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000591735094 448476223 /nfs/dbraw/zinc/47/62/23/448476223.db2.gz RLTNSIAKWCXBBE-HUUCEWRRSA-N 1 1 335.404 1.408 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000591735094 448476228 /nfs/dbraw/zinc/47/62/28/448476228.db2.gz RLTNSIAKWCXBBE-HUUCEWRRSA-N 1 1 335.404 1.408 20 5 EDBDMO Nc1nccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000567121906 448617957 /nfs/dbraw/zinc/61/79/57/448617957.db2.gz UXUZJIHYOXLJKC-GFCCVEGCSA-N 1 1 345.359 1.732 20 5 EDBDMO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000592035633 448640124 /nfs/dbraw/zinc/64/01/24/448640124.db2.gz IVAYDCVZSGWFIK-CYBMUJFWSA-N 1 1 341.433 1.872 20 5 EDBDMO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000592035633 448640130 /nfs/dbraw/zinc/64/01/30/448640130.db2.gz IVAYDCVZSGWFIK-CYBMUJFWSA-N 1 1 341.433 1.872 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000567344856 448670101 /nfs/dbraw/zinc/67/01/01/448670101.db2.gz DWIQFHHLPZLHNU-ZDUSSCGKSA-N 1 1 345.359 1.124 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000520824160 448934290 /nfs/dbraw/zinc/93/42/90/448934290.db2.gz PQNIPNFTZQSOIX-NSHDSACASA-N 1 1 335.360 1.438 20 5 EDBDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC[N@H+]1C ZINC000592766216 448978251 /nfs/dbraw/zinc/97/82/51/448978251.db2.gz YOQULZWJPPIWJP-YRGRVCCFSA-N 1 1 333.392 1.343 20 5 EDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000521566005 448994891 /nfs/dbraw/zinc/99/48/91/448994891.db2.gz IOEIJDLESKOJEP-NSHDSACASA-N 1 1 335.360 1.785 20 5 EDBDMO CC(C)Oc1nc(NC[C@H]2CCCC[N@H+]2CCO)ccc1[N+](=O)[O-] ZINC000582132512 449020756 /nfs/dbraw/zinc/02/07/56/449020756.db2.gz OTKULDJCLMSADX-CYBMUJFWSA-N 1 1 338.408 2.036 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608383 449076306 /nfs/dbraw/zinc/07/63/06/449076306.db2.gz OSLPOOWMFRFMGS-CHWSQXEVSA-N 1 1 344.375 1.535 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000575344318 449083040 /nfs/dbraw/zinc/08/30/40/449083040.db2.gz YKXNTZIEXAPXTJ-ZDUSSCGKSA-N 1 1 348.403 1.608 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000589930011 449084019 /nfs/dbraw/zinc/08/40/19/449084019.db2.gz RDPGJMDYRCNUIX-BXKDBHETSA-N 1 1 345.808 1.573 20 5 EDBDMO COc1cc(C(=O)N2CC[NH+](CCCF)CC2)ccc1[N+](=O)[O-] ZINC000600072636 449172261 /nfs/dbraw/zinc/17/22/61/449172261.db2.gz ZCPJGCUVJKFHPB-UHFFFAOYSA-N 1 1 325.340 1.721 20 5 EDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000600064617 449166818 /nfs/dbraw/zinc/16/68/18/449166818.db2.gz SWAOZKIELHMITD-OAHLLOKOSA-N 1 1 346.387 1.666 20 5 EDBDMO C[C@@H]1C[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1O ZINC000595745463 449144029 /nfs/dbraw/zinc/14/40/29/449144029.db2.gz UDXYVFXOBUVZNC-VXGBXAGGSA-N 1 1 333.388 1.433 20 5 EDBDMO O=C1C[C@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000596014996 449317866 /nfs/dbraw/zinc/31/78/66/449317866.db2.gz YHZRDRMLPZOPNR-HUBLWGQQSA-N 1 1 345.355 1.195 20 5 EDBDMO O=C1C[C@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000596014996 449317870 /nfs/dbraw/zinc/31/78/70/449317870.db2.gz YHZRDRMLPZOPNR-HUBLWGQQSA-N 1 1 345.355 1.195 20 5 EDBDMO COc1ccc(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595951450 449277443 /nfs/dbraw/zinc/27/74/43/449277443.db2.gz LSVJJJHBRMVMME-SECBINFHSA-N 1 1 331.332 1.656 20 5 EDBDMO C[N@@H+](CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)CC(C)(C)C ZINC000602100739 449345764 /nfs/dbraw/zinc/34/57/64/449345764.db2.gz CTLDMANCSXULLT-ZDUSSCGKSA-N 1 1 349.435 1.981 20 5 EDBDMO O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000598367324 449363402 /nfs/dbraw/zinc/36/34/02/449363402.db2.gz UWNWRRDGELPLHB-CHWSQXEVSA-N 1 1 334.376 1.296 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2nncn2C)CC1 ZINC000594023241 449328287 /nfs/dbraw/zinc/32/82/87/449328287.db2.gz OSLHFNGXNZAJLK-CYBMUJFWSA-N 1 1 330.392 1.915 20 5 EDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000590874693 449330598 /nfs/dbraw/zinc/33/05/98/449330598.db2.gz CDPRXQISNGDDSA-CYBMUJFWSA-N 1 1 343.387 1.912 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593538374 449333626 /nfs/dbraw/zinc/33/36/26/449333626.db2.gz MEDRFLNPZRZFHA-LLVKDONJSA-N 1 1 328.394 1.000 20 5 EDBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000593544263 449336752 /nfs/dbraw/zinc/33/67/52/449336752.db2.gz OYHFUBDCSARFHO-UHFFFAOYSA-N 1 1 328.394 1.143 20 5 EDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598557991 449464996 /nfs/dbraw/zinc/46/49/96/449464996.db2.gz BCYZGVMBSNHKSE-AWEZNQCLSA-N 1 1 335.408 1.420 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598560412 449465903 /nfs/dbraw/zinc/46/59/03/449465903.db2.gz LIFMPHJNBIZMNA-HNNXBMFYSA-N 1 1 349.435 1.728 20 5 EDBDMO CCOc1cc(CN2CC[N@@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000617225266 449510697 /nfs/dbraw/zinc/51/06/97/449510697.db2.gz PLMKNZCSGRJVIC-UHFFFAOYSA-N 1 1 337.420 1.882 20 5 EDBDMO CC[N@H+]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000598900513 449636846 /nfs/dbraw/zinc/63/68/46/449636846.db2.gz RIODYFJODSQLAU-LBPRGKRZSA-N 1 1 349.391 1.269 20 5 EDBDMO CCN1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602520246 449646359 /nfs/dbraw/zinc/64/63/59/449646359.db2.gz LUTXYZQTMCAVDN-AWEZNQCLSA-N 1 1 333.436 1.890 20 5 EDBDMO CC(C)C[N@@H+](C)CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594792822 449703512 /nfs/dbraw/zinc/70/35/12/449703512.db2.gz BYHOZAKGNCSUNF-UHFFFAOYSA-N 1 1 330.410 1.246 20 5 EDBDMO Cn1cc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602800866 449819785 /nfs/dbraw/zinc/81/97/85/449819785.db2.gz XTCRIXGBSFFOTG-NSHDSACASA-N 1 1 331.380 1.634 20 5 EDBDMO Cn1cc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602800866 449819787 /nfs/dbraw/zinc/81/97/87/449819787.db2.gz XTCRIXGBSFFOTG-NSHDSACASA-N 1 1 331.380 1.634 20 5 EDBDMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000602941402 449943209 /nfs/dbraw/zinc/94/32/09/449943209.db2.gz JZYNEVMMEAYCTI-HNNXBMFYSA-N 1 1 343.387 1.723 20 5 EDBDMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000602941402 449943214 /nfs/dbraw/zinc/94/32/14/449943214.db2.gz JZYNEVMMEAYCTI-HNNXBMFYSA-N 1 1 343.387 1.723 20 5 EDBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599411630 449957447 /nfs/dbraw/zinc/95/74/47/449957447.db2.gz AWOWYTCNLKYZAE-ZDUSSCGKSA-N 1 1 341.433 1.913 20 5 EDBDMO C[N@H+]1CCCC[C@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000599415408 449961582 /nfs/dbraw/zinc/96/15/82/449961582.db2.gz OGXSQIAGJGVGNS-CYBMUJFWSA-N 1 1 341.433 1.746 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])s1 ZINC000601446360 449970316 /nfs/dbraw/zinc/97/03/16/449970316.db2.gz ZWIQWLFVQVXDDX-NSHDSACASA-N 1 1 345.446 1.679 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601455986 449979621 /nfs/dbraw/zinc/97/96/21/449979621.db2.gz YMXWVWHSLYEIKH-UHFFFAOYSA-N 1 1 335.404 1.447 20 5 EDBDMO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000609268885 449995585 /nfs/dbraw/zinc/99/55/85/449995585.db2.gz HQQCNKYDYJAMGX-NSHDSACASA-N 1 1 327.406 1.805 20 5 EDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000609268885 449995589 /nfs/dbraw/zinc/99/55/89/449995589.db2.gz HQQCNKYDYJAMGX-NSHDSACASA-N 1 1 327.406 1.805 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000595353358 450067465 /nfs/dbraw/zinc/06/74/65/450067465.db2.gz GUVRVIUPYKILAM-GFCCVEGCSA-N 1 1 327.406 1.666 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000609463372 450032187 /nfs/dbraw/zinc/03/21/87/450032187.db2.gz ZGIYJNGORLJKMV-UHFFFAOYSA-N 1 1 330.348 1.238 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[NH+](C2CCC2)CC1 ZINC000609594551 450062495 /nfs/dbraw/zinc/06/24/95/450062495.db2.gz LBDQTMGCQOWKFO-UHFFFAOYSA-N 1 1 347.371 1.676 20 5 EDBDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000595372846 450085467 /nfs/dbraw/zinc/08/54/67/450085467.db2.gz WLHXTKGBZVOFLE-MRXNPFEDSA-N 1 1 336.411 1.946 20 5 EDBDMO CC(=O)NCC(=O)N1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000599619074 450108427 /nfs/dbraw/zinc/10/84/27/450108427.db2.gz SVQSBXWKGPWUKT-ZDUSSCGKSA-N 1 1 348.403 1.326 20 5 EDBDMO CC(=O)NCC(=O)N1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000599619074 450108431 /nfs/dbraw/zinc/10/84/31/450108431.db2.gz SVQSBXWKGPWUKT-ZDUSSCGKSA-N 1 1 348.403 1.326 20 5 EDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597575620 450119846 /nfs/dbraw/zinc/11/98/46/450119846.db2.gz QEMWEIJHNULBQZ-ZIAGYGMSSA-N 1 1 339.342 1.921 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000599639474 450120864 /nfs/dbraw/zinc/12/08/64/450120864.db2.gz FBTZULJDJFVROD-YVEFUNNKSA-N 1 1 349.387 1.636 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000599639474 450120869 /nfs/dbraw/zinc/12/08/69/450120869.db2.gz FBTZULJDJFVROD-YVEFUNNKSA-N 1 1 349.387 1.636 20 5 EDBDMO C[C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000597624354 450152994 /nfs/dbraw/zinc/15/29/94/450152994.db2.gz HQTBHDMCBUQDDG-CJNGLKHVSA-N 1 1 332.404 1.204 20 5 EDBDMO C[N@H+]1CCCN(CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000610240658 450157768 /nfs/dbraw/zinc/15/77/68/450157768.db2.gz KCGKZZLDKKURDJ-UHFFFAOYSA-N 1 1 334.420 1.281 20 5 EDBDMO CN1CCC[N@H+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000610240658 450157775 /nfs/dbraw/zinc/15/77/75/450157775.db2.gz KCGKZZLDKKURDJ-UHFFFAOYSA-N 1 1 334.420 1.281 20 5 EDBDMO CN1CCC[N@@H+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000610240658 450157784 /nfs/dbraw/zinc/15/77/84/450157784.db2.gz KCGKZZLDKKURDJ-UHFFFAOYSA-N 1 1 334.420 1.281 20 5 EDBDMO Cn1cc[nH+]c1C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC000610282285 450180440 /nfs/dbraw/zinc/18/04/40/450180440.db2.gz DBTJOFRHLAETNZ-LBPRGKRZSA-N 1 1 339.359 2.096 20 5 EDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597710980 450213547 /nfs/dbraw/zinc/21/35/47/450213547.db2.gz ZDIAQSZAMSIWFK-INIZCTEOSA-N 1 1 333.388 1.461 20 5 EDBDMO CC[N@H+]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000595535787 450213992 /nfs/dbraw/zinc/21/39/92/450213992.db2.gz QJMKPARUYRBTPM-GOEBONIOSA-N 1 1 337.420 1.751 20 5 EDBDMO CCN1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000595535787 450213998 /nfs/dbraw/zinc/21/39/98/450213998.db2.gz QJMKPARUYRBTPM-GOEBONIOSA-N 1 1 337.420 1.751 20 5 EDBDMO CCN1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000595535787 450214006 /nfs/dbraw/zinc/21/40/06/450214006.db2.gz QJMKPARUYRBTPM-GOEBONIOSA-N 1 1 337.420 1.751 20 5 EDBDMO Cc1cnc(N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000610283955 450182563 /nfs/dbraw/zinc/18/25/63/450182563.db2.gz BHCXJBJXBCITNE-OAHLLOKOSA-N 1 1 333.436 1.903 20 5 EDBDMO Cc1cnc(N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000610283955 450182568 /nfs/dbraw/zinc/18/25/68/450182568.db2.gz BHCXJBJXBCITNE-OAHLLOKOSA-N 1 1 333.436 1.903 20 5 EDBDMO C[C@H]1C[C@@H](C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000601779428 450235138 /nfs/dbraw/zinc/23/51/38/450235138.db2.gz RPSGZQQUKYQQLB-DCGLDWPTSA-N 1 1 335.404 1.649 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[N@H+]1C1CC1 ZINC000610653946 450285273 /nfs/dbraw/zinc/28/52/73/450285273.db2.gz PPUWJGYMHYUNAE-QWRGUYRKSA-N 1 1 347.371 1.721 20 5 EDBDMO Cc1nsc(N2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000174879235 534504486 /nfs/dbraw/zinc/50/44/86/534504486.db2.gz RHAANSUOJXWHNO-UHFFFAOYSA-N 1 1 337.409 1.164 20 5 EDBDMO Cc1nsc(N2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000174879235 534504488 /nfs/dbraw/zinc/50/44/88/534504488.db2.gz RHAANSUOJXWHNO-UHFFFAOYSA-N 1 1 337.409 1.164 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000332219373 536469449 /nfs/dbraw/zinc/46/94/49/536469449.db2.gz LUFNXXOEXIBWMD-KGLIPLIRSA-N 1 1 339.779 1.793 20 5 EDBDMO CCCCC[N@@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264906626 535041931 /nfs/dbraw/zinc/04/19/31/535041931.db2.gz VYDPILNEQYLQMC-HNNXBMFYSA-N 1 1 326.393 1.819 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000249201484 536470034 /nfs/dbraw/zinc/47/00/34/536470034.db2.gz QZLCYUHLTJDDRE-SWLSCSKDSA-N 1 1 346.387 1.476 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000743982062 579496874 /nfs/dbraw/zinc/49/68/74/579496874.db2.gz NSCVOVAUTKYLDY-LBPRGKRZSA-N 1 1 334.376 1.442 20 5 EDBDMO C[NH+]1CCN(C(=O)CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000744170939 579502656 /nfs/dbraw/zinc/50/26/56/579502656.db2.gz VBYXFGGISWTYQA-UHFFFAOYSA-N 1 1 329.360 1.329 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000761074621 580046664 /nfs/dbraw/zinc/04/66/64/580046664.db2.gz XZZALSZJWNTTKY-NWDGAFQWSA-N 1 1 336.392 1.566 20 5 EDBDMO CC[N@H+](C[C@@H]1CCOC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000738075653 579157412 /nfs/dbraw/zinc/15/74/12/579157412.db2.gz IFBDDSAXPRPBCL-NSHDSACASA-N 1 1 333.344 1.507 20 5 EDBDMO CC[N@@H+](C[C@@H]1CCOC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000738075653 579157413 /nfs/dbraw/zinc/15/74/13/579157413.db2.gz IFBDDSAXPRPBCL-NSHDSACASA-N 1 1 333.344 1.507 20 5 EDBDMO COC(=O)/C=C\c1ccc(NC[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000762816262 580084416 /nfs/dbraw/zinc/08/44/16/580084416.db2.gz OBHPAEYJYUTEPU-LEXSJLIMSA-N 1 1 335.360 1.260 20 5 EDBDMO COC1CC[NH+](CCNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768855485 580222672 /nfs/dbraw/zinc/22/26/72/580222672.db2.gz YYKHAJOQUJQJLS-UHFFFAOYSA-N 1 1 349.434 1.045 20 5 EDBDMO COC(=O)C[C@@]1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCCOC1 ZINC000770701744 580268417 /nfs/dbraw/zinc/26/84/17/580268417.db2.gz SPDRAJVZXTYETJ-HNNXBMFYSA-N 1 1 326.324 1.936 20 5 EDBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000783237938 580596272 /nfs/dbraw/zinc/59/62/72/580596272.db2.gz DKEYBKVWIYZOBQ-ZDUSSCGKSA-N 1 1 349.387 1.613 20 5 EDBDMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788752601 580729039 /nfs/dbraw/zinc/72/90/39/580729039.db2.gz GCQQVRAOUXNWMO-KGLIPLIRSA-N 1 1 335.452 1.854 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000892928929 591228196 /nfs/dbraw/zinc/22/81/96/591228196.db2.gz BVVMSMMILKLFBW-WFASDCNBSA-N 1 1 334.376 1.319 20 5 EDBDMO Cc1nn(CCC(=O)N[C@H]2CCC[N@H+](CCF)C2)c(C)c1[N+](=O)[O-] ZINC000898492574 591377631 /nfs/dbraw/zinc/37/76/31/591377631.db2.gz WCYNGZHMJRFGQJ-ZDUSSCGKSA-N 1 1 341.387 1.348 20 5 EDBDMO Cc1nn(CCC(=O)N[C@H]2CCC[N@@H+](CCF)C2)c(C)c1[N+](=O)[O-] ZINC000898492574 591377634 /nfs/dbraw/zinc/37/76/34/591377634.db2.gz WCYNGZHMJRFGQJ-ZDUSSCGKSA-N 1 1 341.387 1.348 20 5 EDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](C3OCCO3)C1)OCCO2 ZINC000896384760 591445546 /nfs/dbraw/zinc/44/55/46/591445546.db2.gz NQYFULVYFLLJAQ-LLVKDONJSA-N 1 1 336.344 1.561 20 5 EDBDMO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](C)CCN1C ZINC000895245925 591678334 /nfs/dbraw/zinc/67/83/34/591678334.db2.gz JTGQPIMHBUKXNK-KOLCDFICSA-N 1 1 336.421 1.646 20 5 EDBDMO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895245925 591678340 /nfs/dbraw/zinc/67/83/40/591678340.db2.gz JTGQPIMHBUKXNK-KOLCDFICSA-N 1 1 336.421 1.646 20 5 EDBDMO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1CN(C)CC[N@H+]1C ZINC000895245925 591678345 /nfs/dbraw/zinc/67/83/45/591678345.db2.gz JTGQPIMHBUKXNK-KOLCDFICSA-N 1 1 336.421 1.646 20 5 EDBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)N2CCCC2)c(F)c1 ZINC000897830655 591687785 /nfs/dbraw/zinc/68/77/85/591687785.db2.gz HNTBXNOXMALEIG-UHFFFAOYSA-N 1 1 331.369 1.249 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1C ZINC000897878979 591704166 /nfs/dbraw/zinc/70/41/66/591704166.db2.gz DCHVNQQEIGJKJY-CQSZACIVSA-N 1 1 335.404 1.788 20 5 EDBDMO C[NH+]1CCC2(CCN2c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000897133190 591747639 /nfs/dbraw/zinc/74/76/39/591747639.db2.gz FWDOYHVNQFPHHE-UHFFFAOYSA-N 1 1 339.417 1.673 20 5 EDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000898038127 591764859 /nfs/dbraw/zinc/76/48/59/591764859.db2.gz GSGXPIWTRWVKHA-LBPRGKRZSA-N 1 1 349.387 1.970 20 5 EDBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)CCO ZINC000899737877 591926639 /nfs/dbraw/zinc/92/66/39/591926639.db2.gz RUCJBGSOILTGAZ-UHFFFAOYSA-N 1 1 341.433 1.751 20 5 EDBDMO Cc1ccc([C@@H](C)NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000900966929 592187411 /nfs/dbraw/zinc/18/74/11/592187411.db2.gz IPDGNPIXAIDAOD-DYVFJYSZSA-N 1 1 335.404 1.927 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)[C@@H](C)C[N@@H+]1C ZINC000901284313 592325608 /nfs/dbraw/zinc/32/56/08/592325608.db2.gz ALXSMEYHERTYQY-NEPJUHHUSA-N 1 1 349.387 1.921 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)[C@@H](C)C[N@H+]1C ZINC000901284313 592325611 /nfs/dbraw/zinc/32/56/11/592325611.db2.gz ALXSMEYHERTYQY-NEPJUHHUSA-N 1 1 349.387 1.921 20 5 EDBDMO C[C@@H]1C[NH2+]C[C@H]1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000903967436 592402522 /nfs/dbraw/zinc/40/25/22/592402522.db2.gz JLRRSNZZVGTCND-OCCSQVGLSA-N 1 1 329.404 1.940 20 5 EDBDMO C[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC12CCCCC2 ZINC000908573941 592544855 /nfs/dbraw/zinc/54/48/55/592544855.db2.gz WSAGKEZFODYBRJ-UHFFFAOYSA-N 1 1 348.403 1.233 20 5 EDBDMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000907655161 592744643 /nfs/dbraw/zinc/74/46/43/592744643.db2.gz WTSYSYNJPNNIFF-QGZVFWFLSA-N 1 1 349.387 1.031 20 5 EDBDMO O=C([C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)N1CCCC1 ZINC000808207534 593239417 /nfs/dbraw/zinc/23/94/17/593239417.db2.gz IKJIZJFZIONDMZ-CQSZACIVSA-N 1 1 343.387 1.846 20 5 EDBDMO COc1cccc([C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000839458993 593302736 /nfs/dbraw/zinc/30/27/36/593302736.db2.gz ZNXUCUXQFJZVRF-OAGGEKHMSA-N 1 1 333.388 1.614 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCNC1=O ZINC000839481876 593305657 /nfs/dbraw/zinc/30/56/57/593305657.db2.gz UBUMHWCGVOSSJE-CQSZACIVSA-N 1 1 334.376 1.524 20 5 EDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000804429168 593413665 /nfs/dbraw/zinc/41/36/65/593413665.db2.gz FWDBFPBYSDORII-FZMZJTMJSA-N 1 1 336.348 1.538 20 5 EDBDMO Cc1nn(CCC(=O)O[C@@H](C)Cn2cc[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000810616494 593416865 /nfs/dbraw/zinc/41/68/65/593416865.db2.gz UCGDXKYCOFPQIK-JTQLQIEISA-N 1 1 335.364 1.935 20 5 EDBDMO C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819264905 593747707 /nfs/dbraw/zinc/74/77/07/593747707.db2.gz IFUVQBGEJDFYDM-RHSMWYFYSA-N 1 1 337.420 1.719 20 5 EDBDMO C[C@@H]1CN(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819264905 593747708 /nfs/dbraw/zinc/74/77/08/593747708.db2.gz IFUVQBGEJDFYDM-RHSMWYFYSA-N 1 1 337.420 1.719 20 5 EDBDMO C[C@@H]1C[N@H+](CCCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819264905 593747709 /nfs/dbraw/zinc/74/77/09/593747709.db2.gz IFUVQBGEJDFYDM-RHSMWYFYSA-N 1 1 337.420 1.719 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819264905 593747710 /nfs/dbraw/zinc/74/77/10/593747710.db2.gz IFUVQBGEJDFYDM-RHSMWYFYSA-N 1 1 337.420 1.719 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000825451247 594187145 /nfs/dbraw/zinc/18/71/45/594187145.db2.gz HMXUAPIPOROPMD-WDEREUQCSA-N 1 1 331.380 1.694 20 5 EDBDMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000823430051 594200936 /nfs/dbraw/zinc/20/09/36/594200936.db2.gz IFIKCSNHVBZKDR-AWEZNQCLSA-N 1 1 346.431 1.974 20 5 EDBDMO C[N@H+]1CCCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000827579694 594237561 /nfs/dbraw/zinc/23/75/61/594237561.db2.gz HKAMAGJXERZVLS-UHFFFAOYSA-N 1 1 338.383 1.491 20 5 EDBDMO CN1CCC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000827579694 594237562 /nfs/dbraw/zinc/23/75/62/594237562.db2.gz HKAMAGJXERZVLS-UHFFFAOYSA-N 1 1 338.383 1.491 20 5 EDBDMO CN1CCC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000827579694 594237563 /nfs/dbraw/zinc/23/75/63/594237563.db2.gz HKAMAGJXERZVLS-UHFFFAOYSA-N 1 1 338.383 1.491 20 5 EDBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831158891 594571857 /nfs/dbraw/zinc/57/18/57/594571857.db2.gz NHLWZXFONMCGPY-CVEARBPZSA-N 1 1 333.388 1.761 20 5 EDBDMO COc1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000827353414 594663788 /nfs/dbraw/zinc/66/37/88/594663788.db2.gz COLKCQGFFJAKFQ-DGCLKSJQSA-N 1 1 349.387 1.778 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000832226115 594736787 /nfs/dbraw/zinc/73/67/87/594736787.db2.gz UNOSXLQUVLVHDE-CABCVRRESA-N 1 1 345.399 1.968 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000832690429 594769289 /nfs/dbraw/zinc/76/92/89/594769289.db2.gz GXTXJCQGXZUAJM-QMTHXVAHSA-N 1 1 334.332 1.588 20 5 EDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000843899158 595211864 /nfs/dbraw/zinc/21/18/64/595211864.db2.gz YEWUMGAAPKZOBU-LBPRGKRZSA-N 1 1 339.367 1.619 20 5 EDBDMO CC1(O)CC[NH+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848481992 595390679 /nfs/dbraw/zinc/39/06/79/595390679.db2.gz JGOSOYXWQVBSAQ-HNNXBMFYSA-N 1 1 333.388 1.715 20 5 EDBDMO CO[C@H]1C[C@@H]([N@H+](C)CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848485897 595392360 /nfs/dbraw/zinc/39/23/60/595392360.db2.gz AGHUVWWVUQBKSK-OWCLPIDISA-N 1 1 333.388 1.977 20 5 EDBDMO CO[C@H]1C[C@@H]([N@@H+](C)CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848485897 595392363 /nfs/dbraw/zinc/39/23/63/595392363.db2.gz AGHUVWWVUQBKSK-OWCLPIDISA-N 1 1 333.388 1.977 20 5 EDBDMO C[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848581355 595408219 /nfs/dbraw/zinc/40/82/19/595408219.db2.gz QHHWIWWPLZIXEL-SNVBAGLBSA-N 1 1 329.303 1.777 20 5 EDBDMO C[N@H+]1CCC[C@@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848581355 595408221 /nfs/dbraw/zinc/40/82/21/595408221.db2.gz QHHWIWWPLZIXEL-SNVBAGLBSA-N 1 1 329.303 1.777 20 5 EDBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000849446736 595528765 /nfs/dbraw/zinc/52/87/65/595528765.db2.gz BQMRCSMZOBAYQO-UHFFFAOYSA-N 1 1 331.369 1.224 20 5 EDBDMO CN(CC1C[NH+](C)C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849447708 595529790 /nfs/dbraw/zinc/52/97/90/595529790.db2.gz SUCBMJREKWPXEE-UHFFFAOYSA-N 1 1 333.797 1.430 20 5 EDBDMO Cc1noc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1[N+](=O)[O-] ZINC000851887121 595963721 /nfs/dbraw/zinc/96/37/21/595963721.db2.gz UVKCSUXQHRKCDG-STQMWFEESA-N 1 1 335.364 1.713 20 5 EDBDMO Cc1noc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1[N+](=O)[O-] ZINC000851887121 595963724 /nfs/dbraw/zinc/96/37/24/595963724.db2.gz UVKCSUXQHRKCDG-STQMWFEESA-N 1 1 335.364 1.713 20 5 EDBDMO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(c3cc(F)ncn3)CC2)c1 ZINC000852130254 596055457 /nfs/dbraw/zinc/05/54/57/596055457.db2.gz MWGXHASVLVXJIX-UHFFFAOYSA-N 1 1 347.350 1.725 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC3=C(CCC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC000852298482 596116200 /nfs/dbraw/zinc/11/62/00/596116200.db2.gz BOBFMMBJFZJRIN-UHFFFAOYSA-N 1 1 347.371 1.852 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@](C)(N)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000870907049 596399149 /nfs/dbraw/zinc/39/91/49/596399149.db2.gz PTENXPVMBNDJIQ-QBIMZIAESA-N 1 1 346.431 1.711 20 5 EDBDMO COCC[N@H+]1CCC[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865522207 596599445 /nfs/dbraw/zinc/59/94/45/596599445.db2.gz NTQVPWXNSCGUJQ-LBPRGKRZSA-N 1 1 327.356 1.749 20 5 EDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000123958707 596806879 /nfs/dbraw/zinc/80/68/79/596806879.db2.gz HSMYKGUZJHLSDE-AOOOYVTPSA-N 1 1 347.824 1.928 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000874253608 596987521 /nfs/dbraw/zinc/98/75/21/596987521.db2.gz SXUKDTALYHHWQW-ZIAGYGMSSA-N 1 1 333.388 1.805 20 5 EDBDMO CC[N@@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CC1 ZINC000878622244 597658601 /nfs/dbraw/zinc/65/86/01/597658601.db2.gz UHNXZJXZCWSNDY-UHFFFAOYSA-N 1 1 349.387 1.970 20 5 EDBDMO CO[C@H]1COCC[C@H]1[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880431373 597931794 /nfs/dbraw/zinc/93/17/94/597931794.db2.gz XRGRSFUBPSTTNL-CVEARBPZSA-N 1 1 349.387 1.220 20 5 EDBDMO CO[C@H]1COCC[C@H]1[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880431373 597931796 /nfs/dbraw/zinc/93/17/96/597931796.db2.gz XRGRSFUBPSTTNL-CVEARBPZSA-N 1 1 349.387 1.220 20 5 EDBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000883999598 597965922 /nfs/dbraw/zinc/96/59/22/597965922.db2.gz LLAJENJNJJELOP-UHFFFAOYSA-N 1 1 343.387 1.353 20 5 EDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000880609559 597979982 /nfs/dbraw/zinc/97/99/82/597979982.db2.gz ZBRJUTDDAPUYGO-BETUJISGSA-N 1 1 345.403 1.886 20 5 EDBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](CC3CC3)C2)c(-c2nn[nH]n2)c1 ZINC000738369218 598504333 /nfs/dbraw/zinc/50/43/33/598504333.db2.gz JLQGLMNVZBQKRJ-JTQLQIEISA-N 1 1 330.352 1.066 20 5 EDBDMO C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000820703979 607168378 /nfs/dbraw/zinc/16/83/78/607168378.db2.gz KWFPWQGFZBPHEV-MNOVXSKESA-N 1 1 346.395 1.845 20 5 EDBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)NCc1ccco1 ZINC000915360158 695800921 /nfs/dbraw/zinc/80/09/21/695800921.db2.gz UDEKWYZGLYYTTP-UHFFFAOYSA-N 1 1 333.344 1.815 20 5 EDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)NCc1ccco1 ZINC000915360158 695800925 /nfs/dbraw/zinc/80/09/25/695800925.db2.gz UDEKWYZGLYYTTP-UHFFFAOYSA-N 1 1 333.344 1.815 20 5 EDBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])n2C)cn1 ZINC000918661122 697196398 /nfs/dbraw/zinc/19/63/98/697196398.db2.gz DHXSXPGFJJQDGY-UHFFFAOYSA-N 1 1 340.343 1.752 20 5 EDBDMO Cc1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c([N+](=O)[O-])s1 ZINC000919836276 697343596 /nfs/dbraw/zinc/34/35/96/697343596.db2.gz AEBPGRPMRNDAER-WDEREUQCSA-N 1 1 345.446 1.822 20 5 EDBDMO Cc1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c([N+](=O)[O-])s1 ZINC000919836276 697343599 /nfs/dbraw/zinc/34/35/99/697343599.db2.gz AEBPGRPMRNDAER-WDEREUQCSA-N 1 1 345.446 1.822 20 5 EDBDMO O=C(NCC1C[NH+](CCOC2CCCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661468 697438511 /nfs/dbraw/zinc/43/85/11/697438511.db2.gz ZSAXQIRWXDYAIK-HZPDHXFCSA-N 1 1 339.436 1.439 20 5 EDBDMO COc1ccccc1CCC[NH+]1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031663426 697440599 /nfs/dbraw/zinc/44/05/99/697440599.db2.gz ZIXFRKDGMPNLTA-HZPDHXFCSA-N 1 1 347.415 1.341 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2c(F)cccc2F)CC1 ZINC000996428814 702783066 /nfs/dbraw/zinc/78/30/66/702783066.db2.gz HYKNLGUAFSLBBB-IAQYHMDHSA-N 1 1 339.342 1.711 20 5 EDBDMO Cn1nncc1C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002731261 709341491 /nfs/dbraw/zinc/34/14/91/709341491.db2.gz OAPIQEUOSZOHTD-UHFFFAOYSA-N 1 1 344.375 1.118 20 5 EDBDMO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000557584989 306230011 /nfs/dbraw/zinc/23/00/11/306230011.db2.gz JZMALWYZSGMPEE-HOCLYGCPSA-N 1 1 336.436 1.162 20 5 EDBDMO C[NH+]1CCC(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000050802066 214070857 /nfs/dbraw/zinc/07/08/57/214070857.db2.gz DFCJKGBELMVHHO-UHFFFAOYSA-N 1 1 346.431 1.883 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000174821307 231318825 /nfs/dbraw/zinc/31/88/25/231318825.db2.gz HNLQLQSNJVFJGN-UHFFFAOYSA-N 1 1 346.347 1.522 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000152921105 529808994 /nfs/dbraw/zinc/80/89/94/529808994.db2.gz ZFWHBYMYIWHWFY-DOMZBBRYSA-N 1 1 339.417 1.700 20 5 EDBDMO CNC(=O)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175044654 529846961 /nfs/dbraw/zinc/84/69/61/529846961.db2.gz GOVICQJLCJSTTP-LBPRGKRZSA-N 1 1 348.403 1.770 20 5 EDBDMO CNS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000190313861 530017989 /nfs/dbraw/zinc/01/79/89/530017989.db2.gz CFKMTZJDXDVLJJ-UHFFFAOYSA-N 1 1 339.373 1.494 20 5 EDBDMO Cc1[nH+]cc2n1C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])CC2 ZINC000561081216 306281936 /nfs/dbraw/zinc/28/19/36/306281936.db2.gz FTWBXVHCAAFLCV-CYBMUJFWSA-N 1 1 343.387 1.890 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000370206814 282772671 /nfs/dbraw/zinc/77/26/71/282772671.db2.gz DCCGLFTXBHSZON-CQSZACIVSA-N 1 1 338.408 1.878 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(CC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000077168594 138251769 /nfs/dbraw/zinc/25/17/69/138251769.db2.gz WCJGKCMPMUQDKQ-LBPRGKRZSA-N 1 1 348.403 1.818 20 5 EDBDMO CN(C)C1(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000186984631 236086255 /nfs/dbraw/zinc/08/62/55/236086255.db2.gz DYSOOHCNJIAGTD-OAHLLOKOSA-N 1 1 337.420 1.751 20 5 EDBDMO CN(C)C1(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000186984631 236086257 /nfs/dbraw/zinc/08/62/57/236086257.db2.gz DYSOOHCNJIAGTD-OAHLLOKOSA-N 1 1 337.420 1.751 20 5 EDBDMO O=C(CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)NC1CCCC1 ZINC000173463174 237261281 /nfs/dbraw/zinc/26/12/81/237261281.db2.gz YVDBNJSDYSUUBD-CQSZACIVSA-N 1 1 347.419 1.925 20 5 EDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCC[N@@H+]1CCC[C@H]1CO ZINC000131399845 223229479 /nfs/dbraw/zinc/22/94/79/223229479.db2.gz OLRSPCGDSVJJHD-SCOAYWHSSA-N 1 1 347.415 1.961 20 5 EDBDMO COc1cccc([N+](=O)[O-])c1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000565489695 306385096 /nfs/dbraw/zinc/38/50/96/306385096.db2.gz BTYHALVNJZBZSI-CQSZACIVSA-N 1 1 348.403 1.346 20 5 EDBDMO CC(C)Cn1ccnc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000565887021 306393709 /nfs/dbraw/zinc/39/37/09/306393709.db2.gz CSCQCCOHNVNMEP-AWEZNQCLSA-N 1 1 348.403 1.977 20 5 EDBDMO Cc1cc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000566965731 306434481 /nfs/dbraw/zinc/43/44/81/306434481.db2.gz CAMBCLOUIFUCMF-UHFFFAOYSA-N 1 1 330.348 1.552 20 5 EDBDMO O=C(CC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000247461651 139149254 /nfs/dbraw/zinc/14/92/54/139149254.db2.gz UKXNPRCRPKTXRS-CVEARBPZSA-N 1 1 349.387 1.803 20 5 EDBDMO O=C(CC[N@H+]1CCO[C@H]([C@H]2CCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000247461651 139149255 /nfs/dbraw/zinc/14/92/55/139149255.db2.gz UKXNPRCRPKTXRS-CVEARBPZSA-N 1 1 349.387 1.803 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000154085827 224200388 /nfs/dbraw/zinc/20/03/88/224200388.db2.gz WIBCOVGWKQBJTP-YPMHNXCESA-N 1 1 329.360 1.711 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000154085827 224200390 /nfs/dbraw/zinc/20/03/90/224200390.db2.gz WIBCOVGWKQBJTP-YPMHNXCESA-N 1 1 329.360 1.711 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000154085827 224200393 /nfs/dbraw/zinc/20/03/93/224200393.db2.gz WIBCOVGWKQBJTP-YPMHNXCESA-N 1 1 329.360 1.711 20 5 EDBDMO Cc1c(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000118132230 221128109 /nfs/dbraw/zinc/12/81/09/221128109.db2.gz MDFBFQOLQHBNBE-UHFFFAOYSA-N 1 1 348.403 1.832 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264128965 139381912 /nfs/dbraw/zinc/38/19/12/139381912.db2.gz LZQBYVHBYOKLMX-GFCCVEGCSA-N 1 1 329.422 1.745 20 5 EDBDMO Cn1cc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000264149890 139383101 /nfs/dbraw/zinc/38/31/01/139383101.db2.gz ZTACIFMYFWQSDH-WBVHZDCISA-N 1 1 346.387 1.905 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270233492 140064528 /nfs/dbraw/zinc/06/45/28/140064528.db2.gz AYWFTBKSZQESEJ-UHFFFAOYSA-N 1 1 338.408 1.405 20 5 EDBDMO Cc1ccc([C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000270848535 140181792 /nfs/dbraw/zinc/18/17/92/140181792.db2.gz XHUNBJPXDXWQHH-GFCCVEGCSA-N 1 1 347.375 1.797 20 5 EDBDMO COCC1(O)CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000271207282 140256548 /nfs/dbraw/zinc/25/65/48/140256548.db2.gz WUDWUCYGIQIXEH-UHFFFAOYSA-N 1 1 340.376 1.585 20 5 EDBDMO C[C@H](NC(=O)NCc1c[nH+]c(N(C)C)n1C)c1ccccc1[N+](=O)[O-] ZINC000271720822 140339382 /nfs/dbraw/zinc/33/93/82/140339382.db2.gz RIDJKDWTKDJDDF-NSHDSACASA-N 1 1 346.391 1.955 20 5 EDBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[NH2+]C[C@@H]1C(F)F ZINC000571993894 306578841 /nfs/dbraw/zinc/57/88/41/306578841.db2.gz XDCCMWLKGRRUEC-SECBINFHSA-N 1 1 329.259 1.003 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000331623376 141058304 /nfs/dbraw/zinc/05/83/04/141058304.db2.gz RILDYYPPBXXACX-HOTGVXAUSA-N 1 1 348.403 1.328 20 5 EDBDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331971658 141104886 /nfs/dbraw/zinc/10/48/86/141104886.db2.gz URJUUZBQKAGZOJ-CQSZACIVSA-N 1 1 335.408 1.829 20 5 EDBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000332057092 141116239 /nfs/dbraw/zinc/11/62/39/141116239.db2.gz PATKBMNFKKUTBQ-LSDHHAIUSA-N 1 1 339.417 1.641 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000332096609 141122260 /nfs/dbraw/zinc/12/22/60/141122260.db2.gz OGTFFLYUEWIADA-UHFFFAOYSA-N 1 1 332.364 1.157 20 5 EDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332228239 141143664 /nfs/dbraw/zinc/14/36/64/141143664.db2.gz CQXHWQXLWPRJML-STQMWFEESA-N 1 1 332.404 1.508 20 5 EDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000332498297 141191185 /nfs/dbraw/zinc/19/11/85/141191185.db2.gz QLWQVBVAIDTBMC-LBPRGKRZSA-N 1 1 349.387 1.970 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H](O)CC1 ZINC000339778707 142153289 /nfs/dbraw/zinc/15/32/89/142153289.db2.gz DWISSCPYALQDPA-ZDUSSCGKSA-N 1 1 335.360 1.740 20 5 EDBDMO C[C@@H]1C[NH+](CCN(C)C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000345390463 143085406 /nfs/dbraw/zinc/08/54/06/143085406.db2.gz QDKPBTJSSJIMEP-ZIAGYGMSSA-N 1 1 335.404 1.705 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@H](F)C[C@H]1CO ZINC000346434571 143204245 /nfs/dbraw/zinc/20/42/45/143204245.db2.gz ZAKDYJVLRYCTDY-PWSUYJOCSA-N 1 1 339.323 1.298 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000346434571 143204246 /nfs/dbraw/zinc/20/42/46/143204246.db2.gz ZAKDYJVLRYCTDY-PWSUYJOCSA-N 1 1 339.323 1.298 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000346664683 143228576 /nfs/dbraw/zinc/22/85/76/143228576.db2.gz OFAXIGTVCBIQIS-DLOVCJGASA-N 1 1 334.376 1.283 20 5 EDBDMO CCC[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+]1CCOC ZINC000347580267 143337140 /nfs/dbraw/zinc/33/71/40/143337140.db2.gz LBRXYHUYQCLJSF-CYBMUJFWSA-N 1 1 325.413 1.261 20 5 EDBDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Cn2nccc2[N+](=O)[O-])CC1 ZINC000347967537 143384939 /nfs/dbraw/zinc/38/49/39/143384939.db2.gz NQCHYKPNLDXETP-AWEZNQCLSA-N 1 1 343.387 1.697 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000347993519 143388811 /nfs/dbraw/zinc/38/88/11/143388811.db2.gz MRSIKRGMWMCRHJ-VXGBXAGGSA-N 1 1 334.376 1.428 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000347993519 143388812 /nfs/dbraw/zinc/38/88/12/143388812.db2.gz MRSIKRGMWMCRHJ-VXGBXAGGSA-N 1 1 334.376 1.428 20 5 EDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000369686068 155135471 /nfs/dbraw/zinc/13/54/71/155135471.db2.gz OKMYBVPCSMSVDV-NSHDSACASA-N 1 1 325.390 1.451 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352664038 149107206 /nfs/dbraw/zinc/10/72/06/149107206.db2.gz AQJYPNDRCLUZEC-HIFRSBDPSA-N 1 1 337.376 1.777 20 5 EDBDMO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ncnn1C ZINC000353304279 149358846 /nfs/dbraw/zinc/35/88/46/149358846.db2.gz JXGSVLULHMTOKG-WDEREUQCSA-N 1 1 332.364 1.791 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000355339207 150224054 /nfs/dbraw/zinc/22/40/54/150224054.db2.gz GYMMZPISXZGHHQ-IRXDYDNUSA-N 1 1 347.415 1.849 20 5 EDBDMO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355368347 150237389 /nfs/dbraw/zinc/23/73/89/150237389.db2.gz LGYACWGLHYGZQZ-CABCVRRESA-N 1 1 335.360 1.236 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355368347 150237391 /nfs/dbraw/zinc/23/73/91/150237391.db2.gz LGYACWGLHYGZQZ-CABCVRRESA-N 1 1 335.360 1.236 20 5 EDBDMO COc1cc(C(=O)NCC[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])cc1OC ZINC000355371050 150238876 /nfs/dbraw/zinc/23/88/76/150238876.db2.gz WRBCHRVLJSBWOD-UHFFFAOYSA-N 1 1 349.387 1.994 20 5 EDBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000357353114 151005172 /nfs/dbraw/zinc/00/51/72/151005172.db2.gz FEDADXCHQSXRAG-INIZCTEOSA-N 1 1 349.387 1.627 20 5 EDBDMO C[N@H+]1CC[C@@](O)(CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000358335111 151341248 /nfs/dbraw/zinc/34/12/48/151341248.db2.gz YSFZNCLOBHUIDZ-LLVKDONJSA-N 1 1 331.170 1.231 20 5 EDBDMO O=[N+]([O-])c1cnccc1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000361061851 152292811 /nfs/dbraw/zinc/29/28/11/152292811.db2.gz JKNLKDHWEGDLSP-INIZCTEOSA-N 1 1 342.399 1.981 20 5 EDBDMO CN(C(=O)CN1CC[C@H]2CC[N@@H+](C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000370148814 155348026 /nfs/dbraw/zinc/34/80/26/155348026.db2.gz CMXMHNIFFKHNPC-CZUORRHYSA-N 1 1 332.404 1.584 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000363642249 153020173 /nfs/dbraw/zinc/02/01/73/153020173.db2.gz XSOCNCITGHWYRT-GFCCVEGCSA-N 1 1 330.348 1.191 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCNC(=O)C[C@H]1C ZINC000369419235 155022542 /nfs/dbraw/zinc/02/25/42/155022542.db2.gz QPMPKCGUTZVFPY-GFCCVEGCSA-N 1 1 334.376 1.442 20 5 EDBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000372337753 156341710 /nfs/dbraw/zinc/34/17/10/156341710.db2.gz DZJSLJBUMKELJD-ZDUSSCGKSA-N 1 1 329.360 1.664 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H](CO)C1 ZINC000374050454 157122053 /nfs/dbraw/zinc/12/20/53/157122053.db2.gz MDNHWZCOEKKYJJ-LBPRGKRZSA-N 1 1 337.376 1.636 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H](CO)C1 ZINC000374050454 157122054 /nfs/dbraw/zinc/12/20/54/157122054.db2.gz MDNHWZCOEKKYJJ-LBPRGKRZSA-N 1 1 337.376 1.636 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000374152901 157166670 /nfs/dbraw/zinc/16/66/70/157166670.db2.gz CLJWQONKFXCOJE-WMLDXEAASA-N 1 1 334.420 1.436 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H](c3nccn3C)C2)c1[N+](=O)[O-] ZINC000374331677 157247834 /nfs/dbraw/zinc/24/78/34/157247834.db2.gz LHVQMRSZCBVMNN-SNVBAGLBSA-N 1 1 332.364 1.634 20 5 EDBDMO O=C(C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000374412884 157281933 /nfs/dbraw/zinc/28/19/33/157281933.db2.gz WDQZXWREGRJUIS-LSDHHAIUSA-N 1 1 345.399 1.842 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000377994551 158050142 /nfs/dbraw/zinc/05/01/42/158050142.db2.gz UWELVSKKERRYSG-LSDHHAIUSA-N 1 1 335.360 1.209 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000378275992 158126554 /nfs/dbraw/zinc/12/65/54/158126554.db2.gz IMKMNDDAFJUQGN-HNNXBMFYSA-N 1 1 343.387 1.793 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000378275992 158126555 /nfs/dbraw/zinc/12/65/55/158126555.db2.gz IMKMNDDAFJUQGN-HNNXBMFYSA-N 1 1 343.387 1.793 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCN1CCCC1=O ZINC000112703658 287341405 /nfs/dbraw/zinc/34/14/05/287341405.db2.gz DASKFLKYKBAXFH-UHFFFAOYSA-N 1 1 348.403 1.786 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000160241728 225370413 /nfs/dbraw/zinc/37/04/13/225370413.db2.gz GXUKZQVALDRGIV-YPMHNXCESA-N 1 1 328.376 1.899 20 5 EDBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122241438 222045123 /nfs/dbraw/zinc/04/51/23/222045123.db2.gz OIDXRXDOSBJZJS-AWEZNQCLSA-N 1 1 334.420 1.598 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000122335154 222063678 /nfs/dbraw/zinc/06/36/78/222063678.db2.gz QZLCYUHLTJDDRE-IUODEOHRSA-N 1 1 346.387 1.476 20 5 EDBDMO Cc1nn(C)c(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000273262366 268008410 /nfs/dbraw/zinc/00/84/10/268008410.db2.gz WDNRAPIYNSYURG-HNNXBMFYSA-N 1 1 345.403 1.815 20 5 EDBDMO CS[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000273518871 268056461 /nfs/dbraw/zinc/05/64/61/268056461.db2.gz PCMSIKBCIGBREA-WDEREUQCSA-N 1 1 339.421 1.278 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000276010468 268390785 /nfs/dbraw/zinc/39/07/85/268390785.db2.gz HDJZKLZDEPCHSJ-LBPRGKRZSA-N 1 1 346.387 1.608 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000274418964 273089017 /nfs/dbraw/zinc/08/90/17/273089017.db2.gz NVUVBUYKASJATE-UHFFFAOYSA-N 1 1 326.353 1.039 20 5 EDBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000278515725 273265222 /nfs/dbraw/zinc/26/52/22/273265222.db2.gz FNABMOXBYRWZFI-UHFFFAOYSA-N 1 1 345.359 1.715 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@](C)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000280696828 273387021 /nfs/dbraw/zinc/38/70/21/273387021.db2.gz ICGZISBKAPMQQM-MRXNPFEDSA-N 1 1 334.376 1.429 20 5 EDBDMO CCOc1cc(CN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000284818520 274344990 /nfs/dbraw/zinc/34/49/90/274344990.db2.gz LMTHXFDRFBSGBE-CVEARBPZSA-N 1 1 335.404 1.898 20 5 EDBDMO C[C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000255010480 287827025 /nfs/dbraw/zinc/82/70/25/287827025.db2.gz XMIUZKXMTYEPMF-GXMNPTEKSA-N 1 1 333.388 1.693 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095476 276225364 /nfs/dbraw/zinc/22/53/64/276225364.db2.gz HRFDXRXKYBCXBJ-DOMZBBRYSA-N 1 1 334.420 1.856 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3c(C)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355378392 276234964 /nfs/dbraw/zinc/23/49/64/276234964.db2.gz CDWYFXVLUXVBIJ-HUUCEWRRSA-N 1 1 333.388 1.838 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518253 277160675 /nfs/dbraw/zinc/16/06/75/277160675.db2.gz IAMVEZKHGOSUGM-SJLPKXTDSA-N 1 1 344.415 1.728 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@](F)(CO)C2)c1 ZINC000286905951 288115327 /nfs/dbraw/zinc/11/53/27/288115327.db2.gz LXRMIJOMRJUSNZ-DZGCQCFKSA-N 1 1 328.340 1.131 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@](F)(CO)C2)c1 ZINC000286905951 288115329 /nfs/dbraw/zinc/11/53/29/288115329.db2.gz LXRMIJOMRJUSNZ-DZGCQCFKSA-N 1 1 328.340 1.131 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000287165661 288170923 /nfs/dbraw/zinc/17/09/23/288170923.db2.gz NAJOXZICZHOHLO-STQMWFEESA-N 1 1 336.392 1.364 20 5 EDBDMO CO[C@H]1COC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000290242218 288864469 /nfs/dbraw/zinc/86/44/69/288864469.db2.gz ZCKZKHDUJCBMKA-RYUDHWBXSA-N 1 1 329.740 1.190 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264928 289301547 /nfs/dbraw/zinc/30/15/47/289301547.db2.gz ZBBSGHLNYYKIIF-WBVHZDCISA-N 1 1 335.404 1.362 20 5 EDBDMO C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264928 289301549 /nfs/dbraw/zinc/30/15/49/289301549.db2.gz ZBBSGHLNYYKIIF-WBVHZDCISA-N 1 1 335.404 1.362 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000292295714 289308960 /nfs/dbraw/zinc/30/89/60/289308960.db2.gz NKMWEBWPFUBILH-INIZCTEOSA-N 1 1 334.376 1.617 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C2)C1 ZINC000292337428 289319850 /nfs/dbraw/zinc/31/98/50/289319850.db2.gz PVRNCUQMIXRZGG-INIZCTEOSA-N 1 1 329.360 1.776 20 5 EDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000293769907 303016113 /nfs/dbraw/zinc/01/61/13/303016113.db2.gz VSORGAUMKAXBBC-QMTHXVAHSA-N 1 1 341.795 1.775 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000295344981 303207464 /nfs/dbraw/zinc/20/74/64/303207464.db2.gz NRENRTSWTPDPKW-INIZCTEOSA-N 1 1 348.359 1.979 20 5 EDBDMO C[C@](O)(CNc1ccc([N+](=O)[O-])c2cccnc12)C[NH+]1CCOCC1 ZINC000301777767 303694801 /nfs/dbraw/zinc/69/48/01/303694801.db2.gz RNEFPLOFJBHTJE-KRWDZBQOSA-N 1 1 346.387 1.638 20 5 EDBDMO C[C@H](CO)[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301825903 303698084 /nfs/dbraw/zinc/69/80/84/303698084.db2.gz MNGXHHQKSHSSNS-SNVBAGLBSA-N 1 1 344.209 1.860 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429017163 305022605 /nfs/dbraw/zinc/02/26/05/305022605.db2.gz DSFQHXWFTCHZEZ-QGZVFWFLSA-N 1 1 332.404 1.869 20 5 EDBDMO C[N@H+](CCCNC(=O)C1CCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429557185 305032028 /nfs/dbraw/zinc/03/20/28/305032028.db2.gz QHUSDQKEQVQVHL-UHFFFAOYSA-N 1 1 348.403 1.772 20 5 EDBDMO C[N@@H+](CCCNC(=O)C1CCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429557185 305032029 /nfs/dbraw/zinc/03/20/29/305032029.db2.gz QHUSDQKEQVQVHL-UHFFFAOYSA-N 1 1 348.403 1.772 20 5 EDBDMO C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000456250644 447349329 /nfs/dbraw/zinc/34/93/29/447349329.db2.gz SFYNKIXZPZYBRU-OKILXGFUSA-N 1 1 349.431 1.786 20 5 EDBDMO C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000456250644 447349335 /nfs/dbraw/zinc/34/93/35/447349335.db2.gz SFYNKIXZPZYBRU-OKILXGFUSA-N 1 1 349.431 1.786 20 5 EDBDMO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000448923306 305304261 /nfs/dbraw/zinc/30/42/61/305304261.db2.gz UJRZCFOWHDCQSI-CQSZACIVSA-N 1 1 341.371 1.905 20 5 EDBDMO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000448923306 305304262 /nfs/dbraw/zinc/30/42/62/305304262.db2.gz UJRZCFOWHDCQSI-CQSZACIVSA-N 1 1 341.371 1.905 20 5 EDBDMO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000448923306 305304263 /nfs/dbraw/zinc/30/42/63/305304263.db2.gz UJRZCFOWHDCQSI-CQSZACIVSA-N 1 1 341.371 1.905 20 5 EDBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(C)(C)C(N)=O ZINC000451133903 305332181 /nfs/dbraw/zinc/33/21/81/305332181.db2.gz FKELWYDTAPKVSW-UHFFFAOYSA-N 1 1 336.348 1.089 20 5 EDBDMO CS(=O)(=O)NCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543157 305352437 /nfs/dbraw/zinc/35/24/37/305352437.db2.gz BATGBXIXPRDDPB-ZDUSSCGKSA-N 1 1 327.406 1.323 20 5 EDBDMO CS(=O)(=O)NCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543157 305352438 /nfs/dbraw/zinc/35/24/38/305352438.db2.gz BATGBXIXPRDDPB-ZDUSSCGKSA-N 1 1 327.406 1.323 20 5 EDBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548738766 306136383 /nfs/dbraw/zinc/13/63/83/306136383.db2.gz LGJYNRAXSFDQDD-CYBMUJFWSA-N 1 1 329.360 1.712 20 5 EDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000104748834 441204127 /nfs/dbraw/zinc/20/41/27/441204127.db2.gz YOXQCZUHBMGMOX-SNVBAGLBSA-N 1 1 347.824 1.820 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000104748197 441204265 /nfs/dbraw/zinc/20/42/65/441204265.db2.gz CMDOYBVNWQVLAF-LBPRGKRZSA-N 1 1 327.406 1.475 20 5 EDBDMO C[NH+]1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000061468585 441272194 /nfs/dbraw/zinc/27/21/94/441272194.db2.gz UIFOELXHWZKQHV-UHFFFAOYSA-N 1 1 348.359 1.057 20 5 EDBDMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000081523642 441281511 /nfs/dbraw/zinc/28/15/11/441281511.db2.gz OZYIYVNXJHOWQO-LBPRGKRZSA-N 1 1 337.376 1.900 20 5 EDBDMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000081523642 441281517 /nfs/dbraw/zinc/28/15/17/441281517.db2.gz OZYIYVNXJHOWQO-LBPRGKRZSA-N 1 1 337.376 1.900 20 5 EDBDMO CCOCC[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000105829506 441282538 /nfs/dbraw/zinc/28/25/38/441282538.db2.gz RFRYSXJBKNNPMB-UHFFFAOYSA-N 1 1 336.392 1.187 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000073842138 441359331 /nfs/dbraw/zinc/35/93/31/441359331.db2.gz XXWHJBVIVIAORF-GFCCVEGCSA-N 1 1 339.417 1.666 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(=O)NC(C)C ZINC000026259528 441372128 /nfs/dbraw/zinc/37/21/28/441372128.db2.gz SZBRLGOKFYKJHC-UHFFFAOYSA-N 1 1 336.392 1.688 20 5 EDBDMO CCN1CCN([C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000107370492 441413794 /nfs/dbraw/zinc/41/37/94/441413794.db2.gz UYVVTYFODDNMOU-KRWDZBQOSA-N 1 1 348.447 1.685 20 5 EDBDMO CCN1CCN([C@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000107370492 441413798 /nfs/dbraw/zinc/41/37/98/441413798.db2.gz UYVVTYFODDNMOU-KRWDZBQOSA-N 1 1 348.447 1.685 20 5 EDBDMO Cc1cc(N2CCC[N@@H+](CC(=O)NC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000051792998 441423657 /nfs/dbraw/zinc/42/36/57/441423657.db2.gz GSTXYZUYGDEBKQ-UHFFFAOYSA-N 1 1 334.420 1.940 20 5 EDBDMO Cc1cc(N2CCC[N@H+](CC(=O)NC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000051792998 441423659 /nfs/dbraw/zinc/42/36/59/441423659.db2.gz GSTXYZUYGDEBKQ-UHFFFAOYSA-N 1 1 334.420 1.940 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052693707 441469123 /nfs/dbraw/zinc/46/91/23/441469123.db2.gz TVTAKMOXTXVBGN-QWHCGFSZSA-N 1 1 341.433 1.917 20 5 EDBDMO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000108406633 441451915 /nfs/dbraw/zinc/45/19/15/441451915.db2.gz AAZVEORWNUYXMB-NSHDSACASA-N 1 1 343.405 1.224 20 5 EDBDMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000052589064 441463266 /nfs/dbraw/zinc/46/32/66/441463266.db2.gz HCEGRALSNHNJPQ-CQSZACIVSA-N 1 1 347.419 1.521 20 5 EDBDMO CC[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075681907 441548927 /nfs/dbraw/zinc/54/89/27/441548927.db2.gz DEBJLMMCUKCNOW-GFCCVEGCSA-N 1 1 340.330 1.953 20 5 EDBDMO CC[N@H+](Cc1c(F)cccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075681907 441548929 /nfs/dbraw/zinc/54/89/29/441548929.db2.gz DEBJLMMCUKCNOW-GFCCVEGCSA-N 1 1 340.330 1.953 20 5 EDBDMO COCCC[N@@H+](CCOC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000054365506 441574006 /nfs/dbraw/zinc/57/40/06/441574006.db2.gz KIYCCWKWJKMPKD-HNNXBMFYSA-N 1 1 342.392 1.319 20 5 EDBDMO COC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000066835569 441574128 /nfs/dbraw/zinc/57/41/28/441574128.db2.gz JYQYRMDNOWPGHD-LLVKDONJSA-N 1 1 336.344 1.846 20 5 EDBDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000066835569 441574135 /nfs/dbraw/zinc/57/41/35/441574135.db2.gz JYQYRMDNOWPGHD-LLVKDONJSA-N 1 1 336.344 1.846 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000067703058 441669464 /nfs/dbraw/zinc/66/94/64/441669464.db2.gz HWSWANGHKBLIFF-LLVKDONJSA-N 1 1 349.387 1.969 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000068126696 441738851 /nfs/dbraw/zinc/73/88/51/441738851.db2.gz QXVSYMOZFYSABO-AWEZNQCLSA-N 1 1 337.424 1.810 20 5 EDBDMO CC(C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000042581359 441754898 /nfs/dbraw/zinc/75/48/98/441754898.db2.gz GRNVIXBFNBAUDG-KRWDZBQOSA-N 1 1 348.447 1.526 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000068780379 441849834 /nfs/dbraw/zinc/84/98/34/441849834.db2.gz VFWGMEYUOBQJOD-MRXNPFEDSA-N 1 1 349.387 1.297 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000174313446 441911658 /nfs/dbraw/zinc/91/16/58/441911658.db2.gz YUPARLAQOBYRLX-JYASZMECSA-N 1 1 333.388 1.522 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)C[NH+]1CCOCC1 ZINC000150918124 441974853 /nfs/dbraw/zinc/97/48/53/441974853.db2.gz ZRZMUEUTMZVQNW-LBPRGKRZSA-N 1 1 336.392 1.335 20 5 EDBDMO Cc1cnc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000078630746 441955957 /nfs/dbraw/zinc/95/59/57/441955957.db2.gz UDESGQWCTUZSSH-UHFFFAOYSA-N 1 1 347.419 1.289 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(c2cccnn2)CC1 ZINC000170648834 442241864 /nfs/dbraw/zinc/24/18/64/442241864.db2.gz ORYHEHNXPKHWSA-UHFFFAOYSA-N 1 1 329.360 1.586 20 5 EDBDMO Cc1nn(C)c(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000128561653 442275057 /nfs/dbraw/zinc/27/50/57/442275057.db2.gz UQGJWRJPAXACPK-GRYCIOLGSA-N 1 1 337.424 1.733 20 5 EDBDMO COc1cc(OCC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177168792 442308783 /nfs/dbraw/zinc/30/87/83/442308783.db2.gz BTKGRHSNGDSLNF-NEPJUHHUSA-N 1 1 349.387 1.724 20 5 EDBDMO COc1cc(OCC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177168821 442308837 /nfs/dbraw/zinc/30/88/37/442308837.db2.gz BTKGRHSNGDSLNF-VXGBXAGGSA-N 1 1 349.387 1.724 20 5 EDBDMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155232061 442382887 /nfs/dbraw/zinc/38/28/87/442382887.db2.gz OEJVLPJFPFTDEG-BETUJISGSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155232061 442382889 /nfs/dbraw/zinc/38/28/89/442382889.db2.gz OEJVLPJFPFTDEG-BETUJISGSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1C[NH+](C[C@H](O)COc2cc(F)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000155281112 442385345 /nfs/dbraw/zinc/38/53/45/442385345.db2.gz OBZWNUTXJITELE-GYSYKLTISA-N 1 1 328.340 1.583 20 5 EDBDMO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1C[N@H+](C)CCO1 ZINC000154842984 442360487 /nfs/dbraw/zinc/36/04/87/442360487.db2.gz PYDVYTLGRMWSOI-BMIGLBTASA-N 1 1 334.376 1.611 20 5 EDBDMO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1C[N@@H+](C)CCO1 ZINC000154842984 442360489 /nfs/dbraw/zinc/36/04/89/442360489.db2.gz PYDVYTLGRMWSOI-BMIGLBTASA-N 1 1 334.376 1.611 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCOC1 ZINC000178786880 442485909 /nfs/dbraw/zinc/48/59/09/442485909.db2.gz IXZDGRYYMNOSSQ-LBPRGKRZSA-N 1 1 337.376 1.900 20 5 EDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](CO)C(C)(C)C ZINC000134372362 442474169 /nfs/dbraw/zinc/47/41/69/442474169.db2.gz YYLONJXBNPMYSA-HNNXBMFYSA-N 1 1 335.404 1.823 20 5 EDBDMO CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000172725015 442527045 /nfs/dbraw/zinc/52/70/45/442527045.db2.gz FDWZEJFQZBJGOQ-GFCCVEGCSA-N 1 1 330.410 1.081 20 5 EDBDMO CCCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000172725015 442527050 /nfs/dbraw/zinc/52/70/50/442527050.db2.gz FDWZEJFQZBJGOQ-GFCCVEGCSA-N 1 1 330.410 1.081 20 5 EDBDMO Cn1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000179318721 442620372 /nfs/dbraw/zinc/62/03/72/442620372.db2.gz GKHMVJDABLADSU-UHFFFAOYSA-N 1 1 344.371 1.157 20 5 EDBDMO Cn1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000179318721 442620376 /nfs/dbraw/zinc/62/03/76/442620376.db2.gz GKHMVJDABLADSU-UHFFFAOYSA-N 1 1 344.371 1.157 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C[C@H]2C1 ZINC000192535673 442660091 /nfs/dbraw/zinc/66/00/91/442660091.db2.gz VDTGFSFFJFCFOT-BETUJISGSA-N 1 1 341.371 1.414 20 5 EDBDMO Cc1sc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188651921 442780850 /nfs/dbraw/zinc/78/08/50/442780850.db2.gz ANMAFARIMLQZMR-JTQLQIEISA-N 1 1 341.433 1.882 20 5 EDBDMO Cc1sc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188651921 442780853 /nfs/dbraw/zinc/78/08/53/442780853.db2.gz ANMAFARIMLQZMR-JTQLQIEISA-N 1 1 341.433 1.882 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000265815942 442931906 /nfs/dbraw/zinc/93/19/06/442931906.db2.gz VPQAYRXTPQTPBG-HUUCEWRRSA-N 1 1 345.403 1.623 20 5 EDBDMO C[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C)CC1 ZINC000268293506 442935019 /nfs/dbraw/zinc/93/50/19/442935019.db2.gz ZFQQMJIGRFQRFQ-NSHDSACASA-N 1 1 340.811 1.500 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249188899 442958649 /nfs/dbraw/zinc/95/86/49/442958649.db2.gz OUJIXROEIAPZCU-OCCSQVGLSA-N 1 1 348.403 1.640 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000189467069 442961359 /nfs/dbraw/zinc/96/13/59/442961359.db2.gz FYXFAMZOVRGARD-CQSZACIVSA-N 1 1 337.420 1.751 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000265960984 442985707 /nfs/dbraw/zinc/98/57/07/442985707.db2.gz GQXUYBRGQLXPMC-UHFFFAOYSA-N 1 1 334.376 1.774 20 5 EDBDMO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000296165178 318670400 /nfs/dbraw/zinc/67/04/00/318670400.db2.gz ZAXFALFOQHFLCW-LLVKDONJSA-N 1 1 342.421 1.163 20 5 EDBDMO COC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000184631201 443051891 /nfs/dbraw/zinc/05/18/91/443051891.db2.gz NHMRVQUKCGXCFQ-QWHCGFSZSA-N 1 1 336.344 1.905 20 5 EDBDMO CC[NH+]1CCN(C(=O)CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000297288640 318758677 /nfs/dbraw/zinc/75/86/77/318758677.db2.gz XUTDMFGVPXKAII-UHFFFAOYSA-N 1 1 332.364 1.047 20 5 EDBDMO O=C(C[NH2+][C@H](CCO)c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000185081732 443131780 /nfs/dbraw/zinc/13/17/80/443131780.db2.gz GTYXCEWGHXWCPK-CQSZACIVSA-N 1 1 345.355 1.790 20 5 EDBDMO Cc1cc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)cc([N+](=O)[O-])c1 ZINC000266469964 443136874 /nfs/dbraw/zinc/13/68/74/443136874.db2.gz NRHHXKHCWLNLOP-UHFFFAOYSA-N 1 1 329.360 1.599 20 5 EDBDMO Cn1c(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000261680705 443164574 /nfs/dbraw/zinc/16/45/74/443164574.db2.gz BWRNLRMOWOLDOJ-CQSZACIVSA-N 1 1 332.335 1.859 20 5 EDBDMO CCOc1cc(NC2CC[NH+](CC(=O)NC)CC2)ccc1[N+](=O)[O-] ZINC000301526452 318913941 /nfs/dbraw/zinc/91/39/41/318913941.db2.gz NNOUDJIGTDKJFU-UHFFFAOYSA-N 1 1 336.392 1.616 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000185627071 443229689 /nfs/dbraw/zinc/22/96/89/443229689.db2.gz YHGUZARJFJJNID-AWEZNQCLSA-N 1 1 349.435 1.420 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000411354600 319177700 /nfs/dbraw/zinc/17/77/00/319177700.db2.gz JIMSIXHAHABWRX-CHWSQXEVSA-N 1 1 348.403 1.749 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000411650570 319192419 /nfs/dbraw/zinc/19/24/19/319192419.db2.gz BXRBHODLYZOUOT-VXGBXAGGSA-N 1 1 337.376 1.635 20 5 EDBDMO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000266997969 443311061 /nfs/dbraw/zinc/31/10/61/443311061.db2.gz DZNQXPSJVGSPTF-LBPRGKRZSA-N 1 1 341.433 1.919 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CN(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000266997969 443311063 /nfs/dbraw/zinc/31/10/63/443311063.db2.gz DZNQXPSJVGSPTF-LBPRGKRZSA-N 1 1 341.433 1.919 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000278618807 443380207 /nfs/dbraw/zinc/38/02/07/443380207.db2.gz NDYYUDQLQJRBDP-XJKSGUPXSA-N 1 1 332.360 1.895 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000278618807 443380211 /nfs/dbraw/zinc/38/02/11/443380211.db2.gz NDYYUDQLQJRBDP-XJKSGUPXSA-N 1 1 332.360 1.895 20 5 EDBDMO C[N@@H+](CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000269608590 443363703 /nfs/dbraw/zinc/36/37/03/443363703.db2.gz JRMRGDGESWETFP-UHFFFAOYSA-N 1 1 344.371 1.005 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278664562 443394833 /nfs/dbraw/zinc/39/48/33/443394833.db2.gz TWLPCGYWZLJVNV-CQSZACIVSA-N 1 1 335.404 1.754 20 5 EDBDMO CCN(CC)C(=O)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272979485 443508912 /nfs/dbraw/zinc/50/89/12/443508912.db2.gz CVINXYDTZHABLK-ZDUSSCGKSA-N 1 1 339.392 1.135 20 5 EDBDMO CCN(CC)C(=O)C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272979485 443508918 /nfs/dbraw/zinc/50/89/18/443508918.db2.gz CVINXYDTZHABLK-ZDUSSCGKSA-N 1 1 339.392 1.135 20 5 EDBDMO 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C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000565698548 321198384 /nfs/dbraw/zinc/19/83/84/321198384.db2.gz HDETZQFIPANSQT-CJNGLKHVSA-N 1 1 335.404 1.661 20 5 EDBDMO C[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1Cc1ccccc1 ZINC000285813639 444117000 /nfs/dbraw/zinc/11/70/00/444117000.db2.gz SCSSWLAROVMAKN-HNNXBMFYSA-N 1 1 343.387 1.177 20 5 EDBDMO C[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1Cc1ccccc1 ZINC000285813639 444117006 /nfs/dbraw/zinc/11/70/06/444117006.db2.gz SCSSWLAROVMAKN-HNNXBMFYSA-N 1 1 343.387 1.177 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301343616 444165692 /nfs/dbraw/zinc/16/56/92/444165692.db2.gz IXHVJZBXPKLCMN-VBNZEHGJSA-N 1 1 344.415 1.875 20 5 EDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000301691913 444185695 /nfs/dbraw/zinc/18/56/95/444185695.db2.gz YZXZTVQGNZHFDE-STQMWFEESA-N 1 1 342.193 1.877 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])CC[C@H]21 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339.367 1.821 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000342791356 444869626 /nfs/dbraw/zinc/86/96/26/444869626.db2.gz ULMUYZDEMOVHHX-CYBMUJFWSA-N 1 1 348.403 1.945 20 5 EDBDMO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000344351688 444912809 /nfs/dbraw/zinc/91/28/09/444912809.db2.gz LFGDTUQOKNCUKL-UONOGXRCSA-N 1 1 348.359 1.881 20 5 EDBDMO COC[C@@H]1C[C@@H](OC)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000344351688 444912813 /nfs/dbraw/zinc/91/28/13/444912813.db2.gz LFGDTUQOKNCUKL-UONOGXRCSA-N 1 1 348.359 1.881 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2Cn2cc(C3CC3)nn2)n1 ZINC000344355324 444914473 /nfs/dbraw/zinc/91/44/73/444914473.db2.gz QDUOAPRXAMUQQG-ZDUSSCGKSA-N 1 1 331.380 1.425 20 5 EDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330459843 444989935 /nfs/dbraw/zinc/98/99/35/444989935.db2.gz ZZRIGYMMEXTZNN-OLZOCXBDSA-N 1 1 337.424 1.763 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000337408245 445067473 /nfs/dbraw/zinc/06/74/73/445067473.db2.gz KHTMEQJHYHQULW-NEPJUHHUSA-N 1 1 335.360 1.807 20 5 EDBDMO CC(=O)N[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000339186107 445078768 /nfs/dbraw/zinc/07/87/68/445078768.db2.gz OPYJJOIOSANKLV-AWEZNQCLSA-N 1 1 348.403 1.832 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343374271 445212245 /nfs/dbraw/zinc/21/22/45/445212245.db2.gz BCGPYPMOMMXJLM-UHFFFAOYSA-N 1 1 340.343 1.715 20 5 EDBDMO C[N@H+](CCn1cccn1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000348232326 445323862 /nfs/dbraw/zinc/32/38/62/445323862.db2.gz SBTUCOYLHZHCHZ-OAHLLOKOSA-N 1 1 329.360 1.529 20 5 EDBDMO C[N@@H+](CCn1cccn1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000348232326 445323865 /nfs/dbraw/zinc/32/38/65/445323865.db2.gz SBTUCOYLHZHCHZ-OAHLLOKOSA-N 1 1 329.360 1.529 20 5 EDBDMO CCOCC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000351735624 445299578 /nfs/dbraw/zinc/29/95/78/445299578.db2.gz JUJJQOVMJRVWJQ-UHFFFAOYSA-N 1 1 340.355 1.920 20 5 EDBDMO CCC(=O)N[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000354679963 445337748 /nfs/dbraw/zinc/33/77/48/445337748.db2.gz WUCWSJGYIYNBBN-AWEZNQCLSA-N 1 1 348.403 1.914 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+](C)C[C@H](C)OC)cc1[N+](=O)[O-] ZINC000348840005 445409918 /nfs/dbraw/zinc/40/99/18/445409918.db2.gz YXRFMGWHVYQOIB-NSHDSACASA-N 1 1 326.349 1.613 20 5 EDBDMO COc1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1OC ZINC000357044338 445391517 /nfs/dbraw/zinc/39/15/17/445391517.db2.gz HJGVULVLIWBHRN-NSHDSACASA-N 1 1 335.360 1.579 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362660715 445483569 /nfs/dbraw/zinc/48/35/69/445483569.db2.gz AATLKHUMRXKXNO-MRXNPFEDSA-N 1 1 332.404 1.299 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000362713233 445513840 /nfs/dbraw/zinc/51/38/40/445513840.db2.gz ZBRGFPSMENLUAA-MRXNPFEDSA-N 1 1 329.356 1.910 20 5 EDBDMO CCCC[N@@H+](C)CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000360112592 445573752 /nfs/dbraw/zinc/57/37/52/445573752.db2.gz NIMGCVATWBMXOX-UHFFFAOYSA-N 1 1 330.410 1.386 20 5 EDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362769016 445541348 /nfs/dbraw/zinc/54/13/48/445541348.db2.gz IWKIXMPCVSUZOB-SNVBAGLBSA-N 1 1 327.331 1.968 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH+]2CCN(C)CC2)c1 ZINC000360159609 445602059 /nfs/dbraw/zinc/60/20/59/445602059.db2.gz ZLUIMASSJBQEPO-UHFFFAOYSA-N 1 1 336.392 1.431 20 5 EDBDMO C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000356082726 445609077 /nfs/dbraw/zinc/60/90/77/445609077.db2.gz KMICAEFAHWPBAR-GFCCVEGCSA-N 1 1 335.408 1.789 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000349815597 445687419 /nfs/dbraw/zinc/68/74/19/445687419.db2.gz YKAMMYSBNXXNIR-GFCCVEGCSA-N 1 1 329.422 1.743 20 5 EDBDMO COc1cc(C(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000358682939 445715021 /nfs/dbraw/zinc/71/50/21/445715021.db2.gz JWQQADWKDPYSHU-GHMZBOCLSA-N 1 1 337.376 1.777 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1nncn1C ZINC000358802058 445782211 /nfs/dbraw/zinc/78/22/11/445782211.db2.gz DAXWZNZNMCZKCZ-NSHDSACASA-N 1 1 332.364 1.711 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000363442337 445805577 /nfs/dbraw/zinc/80/55/77/445805577.db2.gz SCQRIVYIBOBMTO-UHFFFAOYSA-N 1 1 337.424 1.680 20 5 EDBDMO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000363451030 445808812 /nfs/dbraw/zinc/80/88/12/445808812.db2.gz RWJDBHPAVJNLTB-CQSZACIVSA-N 1 1 333.396 1.554 20 5 EDBDMO CCCN1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000361811152 445964884 /nfs/dbraw/zinc/96/48/84/445964884.db2.gz ADAXIEDGBQRCKG-UHFFFAOYSA-N 1 1 333.436 1.986 20 5 EDBDMO COC(=O)c1cnc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000365057818 445998805 /nfs/dbraw/zinc/99/88/05/445998805.db2.gz BPXBKTXTVRQWDS-VXGBXAGGSA-N 1 1 336.348 1.052 20 5 EDBDMO Cc1cc(C[C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000584167677 326212304 /nfs/dbraw/zinc/21/23/04/326212304.db2.gz CXRJPFQLNHXZGV-NHYWBVRUSA-N 1 1 334.376 1.587 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000361935225 446083261 /nfs/dbraw/zinc/08/32/61/446083261.db2.gz BGPUAOHVLFCIQH-HZMBPMFUSA-N 1 1 329.360 1.637 20 5 EDBDMO C[N@@H+]1CC[C@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000361935225 446083265 /nfs/dbraw/zinc/08/32/65/446083265.db2.gz BGPUAOHVLFCIQH-HZMBPMFUSA-N 1 1 329.360 1.637 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000361935225 446083269 /nfs/dbraw/zinc/08/32/69/446083269.db2.gz BGPUAOHVLFCIQH-HZMBPMFUSA-N 1 1 329.360 1.637 20 5 EDBDMO CCc1noc([C@]2(O)CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000369349981 446092786 /nfs/dbraw/zinc/09/27/86/446092786.db2.gz PUNSIJYOONXVRI-INIZCTEOSA-N 1 1 348.359 1.513 20 5 EDBDMO CCc1noc([C@]2(O)CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000369349981 446092794 /nfs/dbraw/zinc/09/27/94/446092794.db2.gz PUNSIJYOONXVRI-INIZCTEOSA-N 1 1 348.359 1.513 20 5 EDBDMO O=C1O[C@@H](C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC12CCC2 ZINC000365272033 446116116 /nfs/dbraw/zinc/11/61/16/446116116.db2.gz WVFCLJQLSPICCV-GXTWGEPZSA-N 1 1 334.376 1.914 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000354455969 446217466 /nfs/dbraw/zinc/21/74/66/446217466.db2.gz IPBACPXOPDDNAK-LBPRGKRZSA-N 1 1 329.422 1.912 20 5 EDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370545818 446325922 /nfs/dbraw/zinc/32/59/22/446325922.db2.gz IQJQCGDHQWUTBC-DLBZAZTESA-N 1 1 347.415 1.897 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)C1 ZINC000359634581 446329684 /nfs/dbraw/zinc/32/96/84/446329684.db2.gz DMISPRFVOGPZDJ-NEPJUHHUSA-N 1 1 347.375 1.536 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000376330073 446433093 /nfs/dbraw/zinc/43/30/93/446433093.db2.gz BHTCXYFDKWOPIL-QWHCGFSZSA-N 1 1 344.375 1.769 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000376330073 446433096 /nfs/dbraw/zinc/43/30/96/446433096.db2.gz BHTCXYFDKWOPIL-QWHCGFSZSA-N 1 1 344.375 1.769 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000411161381 446414469 /nfs/dbraw/zinc/41/44/69/446414469.db2.gz BNWGKLLBSRBWDI-GFCCVEGCSA-N 1 1 337.376 1.779 20 5 EDBDMO O=C(CCN1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420382511 446559652 /nfs/dbraw/zinc/55/96/52/446559652.db2.gz SFSIZDTXPVQUMF-QGZVFWFLSA-N 1 1 332.404 1.999 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)n1 ZINC000423618537 446609133 /nfs/dbraw/zinc/60/91/33/446609133.db2.gz UROPZELXLKNJRJ-CYBMUJFWSA-N 1 1 347.350 1.737 20 5 EDBDMO NC(=O)c1cccc([N+](=O)[O-])c1NCCc1cn2c([nH+]1)CCCC2 ZINC000420580053 446688126 /nfs/dbraw/zinc/68/81/26/446688126.db2.gz BQMMGABJBGQLKJ-UHFFFAOYSA-N 1 1 329.360 1.881 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000420581994 446689771 /nfs/dbraw/zinc/68/97/71/446689771.db2.gz GOQRLJJCBNLVAO-GFCCVEGCSA-N 1 1 348.403 1.383 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000371243180 446711464 /nfs/dbraw/zinc/71/14/64/446711464.db2.gz SIHVAQSSLSJWEO-AWEZNQCLSA-N 1 1 343.387 1.960 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000371243180 446711469 /nfs/dbraw/zinc/71/14/69/446711469.db2.gz SIHVAQSSLSJWEO-AWEZNQCLSA-N 1 1 343.387 1.960 20 5 EDBDMO O=C(C[N@@H+]1CC[C@H](n2cncn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375332965 446727399 /nfs/dbraw/zinc/72/73/99/446727399.db2.gz RFTUOMZDRZBXCU-AWEZNQCLSA-N 1 1 342.359 1.022 20 5 EDBDMO O=C(C[N@H+]1CC[C@H](n2cncn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375332965 446727407 /nfs/dbraw/zinc/72/74/07/446727407.db2.gz RFTUOMZDRZBXCU-AWEZNQCLSA-N 1 1 342.359 1.022 20 5 EDBDMO C[NH+](C)C1CCC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000420722088 446770691 /nfs/dbraw/zinc/77/06/91/446770691.db2.gz DPWLOMBXYZNQRJ-UHFFFAOYSA-N 1 1 345.396 1.885 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000454103767 446776375 /nfs/dbraw/zinc/77/63/75/446776375.db2.gz PZXWAYIFTNSYNI-AWEZNQCLSA-N 1 1 334.376 1.474 20 5 EDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000412024341 446790622 /nfs/dbraw/zinc/79/06/22/446790622.db2.gz BRPYGSQGPDQRSH-GFCCVEGCSA-N 1 1 347.375 1.898 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000412024341 446790634 /nfs/dbraw/zinc/79/06/34/446790634.db2.gz BRPYGSQGPDQRSH-GFCCVEGCSA-N 1 1 347.375 1.898 20 5 EDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000412024341 446790644 /nfs/dbraw/zinc/79/06/44/446790644.db2.gz BRPYGSQGPDQRSH-GFCCVEGCSA-N 1 1 347.375 1.898 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1 ZINC000412024341 446790652 /nfs/dbraw/zinc/79/06/52/446790652.db2.gz BRPYGSQGPDQRSH-GFCCVEGCSA-N 1 1 347.375 1.898 20 5 EDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1 ZINC000412024341 446790664 /nfs/dbraw/zinc/79/06/64/446790664.db2.gz BRPYGSQGPDQRSH-GFCCVEGCSA-N 1 1 347.375 1.898 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412108884 446865180 /nfs/dbraw/zinc/86/51/80/446865180.db2.gz NZGUHZHKEOHJMB-HRCADAONSA-N 1 1 332.404 1.060 20 5 EDBDMO CNC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000420968557 446939918 /nfs/dbraw/zinc/93/99/18/446939918.db2.gz CDTOZFVWGLYUKN-GFCCVEGCSA-N 1 1 334.376 1.300 20 5 EDBDMO CNC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000420982465 446958405 /nfs/dbraw/zinc/95/84/05/446958405.db2.gz YBWLFTYKCCNJTM-GFCCVEGCSA-N 1 1 334.376 1.300 20 5 EDBDMO CNC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000420982467 446958584 /nfs/dbraw/zinc/95/85/84/446958584.db2.gz YBWLFTYKCCNJTM-LBPRGKRZSA-N 1 1 334.376 1.300 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377173166 446969704 /nfs/dbraw/zinc/96/97/04/446969704.db2.gz CRKMUVHYJYFABD-KBPBESRZSA-N 1 1 334.376 1.888 20 5 EDBDMO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](O)CO ZINC000421000947 446976145 /nfs/dbraw/zinc/97/61/45/446976145.db2.gz OZXLWRMNHHZCHK-AWEZNQCLSA-N 1 1 326.349 1.025 20 5 EDBDMO CC(C)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](O)CO ZINC000421000947 446976150 /nfs/dbraw/zinc/97/61/50/446976150.db2.gz OZXLWRMNHHZCHK-AWEZNQCLSA-N 1 1 326.349 1.025 20 5 EDBDMO COCCOC[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444649081 447114394 /nfs/dbraw/zinc/11/43/94/447114394.db2.gz LAVPLYRWMJAZAQ-LBPRGKRZSA-N 1 1 334.376 1.956 20 5 EDBDMO COCCOC[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444649081 447114401 /nfs/dbraw/zinc/11/44/01/447114401.db2.gz LAVPLYRWMJAZAQ-LBPRGKRZSA-N 1 1 334.376 1.956 20 5 EDBDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000375816288 447074785 /nfs/dbraw/zinc/07/47/85/447074785.db2.gz SASGGINKPIUIFY-CYBMUJFWSA-N 1 1 343.387 1.807 20 5 EDBDMO CO[C@@H](C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000425474604 447181163 /nfs/dbraw/zinc/18/11/63/447181163.db2.gz JFTMPCZCUADINH-INIZCTEOSA-N 1 1 333.388 1.778 20 5 EDBDMO O=C(CC[N@H+]1CC[C@H](c2nnc[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000425545523 447222786 /nfs/dbraw/zinc/22/27/86/447222786.db2.gz JWOZPQQMIAANQN-NSHDSACASA-N 1 1 330.348 1.531 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000421703011 447224255 /nfs/dbraw/zinc/22/42/55/447224255.db2.gz LJKZMKGCEPNPPE-MRXNPFEDSA-N 1 1 343.387 1.947 20 5 EDBDMO CNc1nc(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000456062739 447291601 /nfs/dbraw/zinc/29/16/01/447291601.db2.gz LOWOGBAWSPCDNS-SLEUVZQESA-N 1 1 347.419 1.834 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000421865435 447264757 /nfs/dbraw/zinc/26/47/57/447264757.db2.gz MYYDITUBVFRCNJ-ZIAGYGMSSA-N 1 1 335.404 1.739 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000421865435 447264764 /nfs/dbraw/zinc/26/47/64/447264764.db2.gz MYYDITUBVFRCNJ-ZIAGYGMSSA-N 1 1 335.404 1.739 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000457125887 447529431 /nfs/dbraw/zinc/52/94/31/447529431.db2.gz OKIAYJRTYJBRLI-LLVKDONJSA-N 1 1 341.795 1.316 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000457125887 447529436 /nfs/dbraw/zinc/52/94/36/447529436.db2.gz OKIAYJRTYJBRLI-LLVKDONJSA-N 1 1 341.795 1.316 20 5 EDBDMO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CCC[N@@H+]3CCCO)c21 ZINC000450598786 447535239 /nfs/dbraw/zinc/53/52/39/447535239.db2.gz RELDMIHNURVZBP-GFCCVEGCSA-N 1 1 331.376 1.797 20 5 EDBDMO C[N@@H+](CCCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000416499667 447627592 /nfs/dbraw/zinc/62/75/92/447627592.db2.gz CVMVJSGINXWGRM-UHFFFAOYSA-N 1 1 341.433 1.889 20 5 EDBDMO CN(C)CC(C)(C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459532410 447697587 /nfs/dbraw/zinc/69/75/87/447697587.db2.gz DWJRMSOEUWFIEM-UHFFFAOYSA-N 1 1 338.364 1.192 20 5 EDBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@H](O)[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000459707008 447746705 /nfs/dbraw/zinc/74/67/05/447746705.db2.gz NYMBKJINVBXFAD-ZBEGNZNMSA-N 1 1 348.355 1.648 20 5 EDBDMO CC(C)[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000489324245 447854572 /nfs/dbraw/zinc/85/45/72/447854572.db2.gz DHMUMDPDUDFTBJ-HNNXBMFYSA-N 1 1 348.403 1.123 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H]([NH+]4CCOCC4)C3)nc2c1 ZINC000575999191 447947808 /nfs/dbraw/zinc/94/78/08/447947808.db2.gz BJLRSRNPVQLMAS-AWEZNQCLSA-N 1 1 345.403 1.768 20 5 EDBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000591054322 448245093 /nfs/dbraw/zinc/24/50/93/448245093.db2.gz WMLITAURTRDXDE-DZKIICNBSA-N 1 1 345.399 1.577 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000578006105 448436594 /nfs/dbraw/zinc/43/65/94/448436594.db2.gz SQVRJWHZIHHAFV-PVAVHDDUSA-N 1 1 335.404 1.551 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000578006105 448436598 /nfs/dbraw/zinc/43/65/98/448436598.db2.gz SQVRJWHZIHHAFV-PVAVHDDUSA-N 1 1 335.404 1.551 20 5 EDBDMO Cc1cc(S(=O)(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000516747608 448467252 /nfs/dbraw/zinc/46/72/52/448467252.db2.gz SKHZFFCDZOYHJS-OCCSQVGLSA-N 1 1 339.417 1.536 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000591726508 448473294 /nfs/dbraw/zinc/47/32/94/448473294.db2.gz CMABQPURHIHPHX-IIAWOOMASA-N 1 1 335.404 1.551 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000591726508 448473298 /nfs/dbraw/zinc/47/32/98/448473298.db2.gz CMABQPURHIHPHX-IIAWOOMASA-N 1 1 335.404 1.551 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000572969710 448510107 /nfs/dbraw/zinc/51/01/07/448510107.db2.gz JHFIIFJYEKWXBO-QGZVFWFLSA-N 1 1 343.387 1.723 20 5 EDBDMO CNc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000566955959 448590504 /nfs/dbraw/zinc/59/05/04/448590504.db2.gz PFDZCWBEICSPBJ-ZDUSSCGKSA-N 1 1 336.392 1.213 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000573539256 448650933 /nfs/dbraw/zinc/65/09/33/448650933.db2.gz LAKCCECYTOEMAA-SNVBAGLBSA-N 1 1 327.331 1.874 20 5 EDBDMO C[C@@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000567492539 448701359 /nfs/dbraw/zinc/70/13/59/448701359.db2.gz FCKJQJSIBUUICM-GOEBONIOSA-N 1 1 337.420 1.656 20 5 EDBDMO C[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000519809295 448848219 /nfs/dbraw/zinc/84/82/19/448848219.db2.gz RQESMQJGVJTPRC-BETUJISGSA-N 1 1 336.392 1.708 20 5 EDBDMO Cc1cc[nH+]c(N2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)c1 ZINC000588001650 448853361 /nfs/dbraw/zinc/85/33/61/448853361.db2.gz ZZJNYAGBTDNKBK-UHFFFAOYSA-N 1 1 343.387 1.699 20 5 EDBDMO CC(C)Oc1nc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000568415224 448870252 /nfs/dbraw/zinc/87/02/52/448870252.db2.gz LPTJAHJNDUHABR-BETUJISGSA-N 1 1 338.408 1.668 20 5 EDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000574617897 448915188 /nfs/dbraw/zinc/91/51/88/448915188.db2.gz AVUMNBFLIFDGBV-LLVKDONJSA-N 1 1 337.376 1.778 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000574617897 448915190 /nfs/dbraw/zinc/91/51/90/448915190.db2.gz AVUMNBFLIFDGBV-LLVKDONJSA-N 1 1 337.376 1.778 20 5 EDBDMO CCc1ccc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000547734331 448922617 /nfs/dbraw/zinc/92/26/17/448922617.db2.gz AACOWQGLKAGMOM-UHFFFAOYSA-N 1 1 329.360 1.843 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@]12CCNC2=O ZINC000582070442 449003900 /nfs/dbraw/zinc/00/39/00/449003900.db2.gz KCQQQTHYEHGYSF-KRWDZBQOSA-N 1 1 346.387 1.586 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593565585 449074868 /nfs/dbraw/zinc/07/48/68/449074868.db2.gz IIDZGZSOZZHZJP-YPMHNXCESA-N 1 1 340.405 1.095 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000589930333 449084438 /nfs/dbraw/zinc/08/44/38/449084438.db2.gz WKOQFFUGQBRWFA-QWHCGFSZSA-N 1 1 339.417 1.536 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000522074771 449049299 /nfs/dbraw/zinc/04/92/99/449049299.db2.gz FEMFMPYLOSLXTH-AWEZNQCLSA-N 1 1 349.435 1.175 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N1CCCC1 ZINC000592994557 449096403 /nfs/dbraw/zinc/09/64/03/449096403.db2.gz LNLMDJLGGBBVCB-UHFFFAOYSA-N 1 1 334.376 1.478 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c1 ZINC000593028360 449107944 /nfs/dbraw/zinc/10/79/44/449107944.db2.gz BSSKIWFFGCNBAB-SMDDNHRTSA-N 1 1 338.360 1.353 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c1 ZINC000593028360 449107947 /nfs/dbraw/zinc/10/79/47/449107947.db2.gz BSSKIWFFGCNBAB-SMDDNHRTSA-N 1 1 338.360 1.353 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597855024 449125002 /nfs/dbraw/zinc/12/50/02/449125002.db2.gz PFDYARNXPBCXJO-CYBMUJFWSA-N 1 1 337.424 1.726 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611088454 449164902 /nfs/dbraw/zinc/16/49/02/449164902.db2.gz XBZIVRZYGBEDII-GFCCVEGCSA-N 1 1 344.375 1.342 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611088454 449164907 /nfs/dbraw/zinc/16/49/07/449164907.db2.gz XBZIVRZYGBEDII-GFCCVEGCSA-N 1 1 344.375 1.342 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000611088358 449164949 /nfs/dbraw/zinc/16/49/49/449164949.db2.gz RQSFTEBZIMFGAU-LLVKDONJSA-N 1 1 337.376 1.778 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000611088358 449164951 /nfs/dbraw/zinc/16/49/51/449164951.db2.gz RQSFTEBZIMFGAU-LLVKDONJSA-N 1 1 337.376 1.778 20 5 EDBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000593670987 449141372 /nfs/dbraw/zinc/14/13/72/449141372.db2.gz OQBASCQLOJXGNB-DOTOQJQBSA-N 1 1 346.387 1.549 20 5 EDBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000590386445 449142668 /nfs/dbraw/zinc/14/26/68/449142668.db2.gz ABOCEXKOZCVOST-CQSZACIVSA-N 1 1 347.415 1.849 20 5 EDBDMO Cc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590399905 449147079 /nfs/dbraw/zinc/14/70/79/449147079.db2.gz QBWXHJYWRQMMNP-ZBFHGGJFSA-N 1 1 333.388 1.838 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC2(COC2)C1 ZINC000595835694 449198090 /nfs/dbraw/zinc/19/80/90/449198090.db2.gz WEHLAKRWDPLOIA-UHFFFAOYSA-N 1 1 335.360 1.654 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](Cc2ccccc2)C1 ZINC000593252408 449188616 /nfs/dbraw/zinc/18/86/16/449188616.db2.gz ZEELKTPROMNBSG-OAHLLOKOSA-N 1 1 328.372 1.922 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](Cc2ccccc2)C1 ZINC000593252408 449188622 /nfs/dbraw/zinc/18/86/22/449188622.db2.gz ZEELKTPROMNBSG-OAHLLOKOSA-N 1 1 328.372 1.922 20 5 EDBDMO COc1c(C(=O)N2CCC([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000600106759 449193396 /nfs/dbraw/zinc/19/33/96/449193396.db2.gz HOASFNCKFURTFT-UHFFFAOYSA-N 1 1 349.387 1.540 20 5 EDBDMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611265615 449242174 /nfs/dbraw/zinc/24/21/74/449242174.db2.gz MPAHOWAKCKMZHG-GFCCVEGCSA-N 1 1 335.360 1.596 20 5 EDBDMO CN1CCCC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000601970940 449253358 /nfs/dbraw/zinc/25/33/58/449253358.db2.gz RFRIQSACJPQYRN-HNNXBMFYSA-N 1 1 348.403 1.866 20 5 EDBDMO COC(=O)[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[N@@H+](C)C1 ZINC000593479231 449302735 /nfs/dbraw/zinc/30/27/35/449302735.db2.gz IVYWKSIOFAIOQE-GFCCVEGCSA-N 1 1 344.371 1.684 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@]23CCNC3=O)cccc1[N+](=O)[O-] ZINC000593998338 449317666 /nfs/dbraw/zinc/31/76/66/449317666.db2.gz HKMSVMUBBSXAFS-QGZVFWFLSA-N 1 1 346.387 1.586 20 5 EDBDMO O=C(C[N@@H+]1CCCCC[C@@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000594017371 449323934 /nfs/dbraw/zinc/32/39/34/449323934.db2.gz XDZARRGHGDSPIQ-OAHLLOKOSA-N 1 1 333.388 1.721 20 5 EDBDMO [NH3+][C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccc(F)cc1F ZINC000595953069 449278701 /nfs/dbraw/zinc/27/87/01/449278701.db2.gz DVPRFPJZKWXZMJ-HNNXBMFYSA-N 1 1 348.309 1.853 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590765377 449285514 /nfs/dbraw/zinc/28/55/14/449285514.db2.gz SUMXUWHWPSIQBA-UKRRQHHQSA-N 1 1 331.372 1.720 20 5 EDBDMO CC(C)[NH+]1CCN(C2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)CC1 ZINC000596177068 449398494 /nfs/dbraw/zinc/39/84/94/449398494.db2.gz CYHUZDVUQVTHMS-UHFFFAOYSA-N 1 1 348.451 1.567 20 5 EDBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594228823 449400281 /nfs/dbraw/zinc/40/02/81/449400281.db2.gz FPVNFBNMRQVLFL-ZIAGYGMSSA-N 1 1 336.396 1.107 20 5 EDBDMO CC(C)[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000596205459 449412635 /nfs/dbraw/zinc/41/26/35/449412635.db2.gz JNGKAWMKAOOSAN-CYBMUJFWSA-N 1 1 342.421 1.019 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596364164 449483243 /nfs/dbraw/zinc/48/32/43/449483243.db2.gz YICIYCGGDMDKTJ-LBPRGKRZSA-N 1 1 326.445 1.804 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596364164 449483247 /nfs/dbraw/zinc/48/32/47/449483247.db2.gz YICIYCGGDMDKTJ-LBPRGKRZSA-N 1 1 326.445 1.804 20 5 EDBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596537852 449545694 /nfs/dbraw/zinc/54/56/94/449545694.db2.gz IKSWTULICNAIAP-LBPRGKRZSA-N 1 1 326.784 1.679 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594484808 449548273 /nfs/dbraw/zinc/54/82/73/449548273.db2.gz VBHVOZSOJDKLML-GJZGRUSLSA-N 1 1 339.417 1.890 20 5 EDBDMO COC(=O)c1ccnc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000598628386 449506203 /nfs/dbraw/zinc/50/62/03/449506203.db2.gz RKNDDESZXYZTCF-INIZCTEOSA-N 1 1 334.376 1.699 20 5 EDBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(C[NH3+])cc(=O)[n-]1 ZINC000596654566 449588141 /nfs/dbraw/zinc/58/81/41/449588141.db2.gz QEIAHLILSYWXBW-NSHDSACASA-N 1 1 331.376 1.660 20 5 EDBDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])CC[N@H+]1C ZINC000594759494 449674938 /nfs/dbraw/zinc/67/49/38/449674938.db2.gz OJFYMOOQAVTAMQ-MNOVXSKESA-N 1 1 328.394 1.093 20 5 EDBDMO CCn1nncc1C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000598985086 449680878 /nfs/dbraw/zinc/68/08/78/449680878.db2.gz ADLZAEODSHEZHR-UHFFFAOYSA-N 1 1 349.347 1.048 20 5 EDBDMO CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000598897517 449635353 /nfs/dbraw/zinc/63/53/53/449635353.db2.gz GCOUVMQWOIPBJV-AWEZNQCLSA-N 1 1 349.391 1.269 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598901703 449638435 /nfs/dbraw/zinc/63/84/35/449638435.db2.gz CJFSKDPUXGSFFJ-ZDUSSCGKSA-N 1 1 349.391 1.269 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598902473 449639655 /nfs/dbraw/zinc/63/96/55/449639655.db2.gz NFQXNGLYSIGODM-VXGBXAGGSA-N 1 1 349.391 1.267 20 5 EDBDMO CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594791290 449700596 /nfs/dbraw/zinc/70/05/96/449700596.db2.gz NQVJWEVZWGMPDI-VIFPVBQESA-N 1 1 333.435 1.807 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594800856 449711700 /nfs/dbraw/zinc/71/17/00/449711700.db2.gz IJZOXDCQSWCQSN-ZDUSSCGKSA-N 1 1 341.433 1.887 20 5 EDBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601142564 449713142 /nfs/dbraw/zinc/71/31/42/449713142.db2.gz UYHFRADUXVYJSC-UHFFFAOYSA-N 1 1 338.383 1.443 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000602647381 449727676 /nfs/dbraw/zinc/72/76/76/449727676.db2.gz HVYFJIGOFFJMAH-RYUDHWBXSA-N 1 1 334.376 1.623 20 5 EDBDMO CC(C)Oc1nc(N2CC(CN3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000599107773 449740510 /nfs/dbraw/zinc/74/05/10/449740510.db2.gz LXEAOASQDUHTED-UHFFFAOYSA-N 1 1 349.435 1.461 20 5 EDBDMO CC[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCN1CC(F)F ZINC000602796600 449816783 /nfs/dbraw/zinc/81/67/83/449816783.db2.gz DENIOTSXPIZWIU-LBPRGKRZSA-N 1 1 331.367 1.761 20 5 EDBDMO CC[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CCN1CC(F)F ZINC000602796600 449816787 /nfs/dbraw/zinc/81/67/87/449816787.db2.gz DENIOTSXPIZWIU-LBPRGKRZSA-N 1 1 331.367 1.761 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000602806823 449822829 /nfs/dbraw/zinc/82/28/29/449822829.db2.gz QKHMZNIHMUJEFA-LBPRGKRZSA-N 1 1 326.303 1.701 20 5 EDBDMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601314120 449823901 /nfs/dbraw/zinc/82/39/01/449823901.db2.gz YXVUUZJFIPVCGJ-LLVKDONJSA-N 1 1 345.396 1.805 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000602825234 449836954 /nfs/dbraw/zinc/83/69/54/449836954.db2.gz KDUFKSUBHQMUFN-HEHGZKQESA-N 1 1 338.408 1.758 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CN1CCN(C)CC1 ZINC000595019536 449842425 /nfs/dbraw/zinc/84/24/25/449842425.db2.gz QPBFXJHZCNRYGT-KGLIPLIRSA-N 1 1 336.436 1.890 20 5 EDBDMO CCOC(=O)C[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599265444 449843517 /nfs/dbraw/zinc/84/35/17/449843517.db2.gz VCAJLQIQTIVHCY-HNNXBMFYSA-N 1 1 337.376 1.031 20 5 EDBDMO COCC[N@H+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C(C)(C)C1 ZINC000602870259 449879707 /nfs/dbraw/zinc/87/97/07/449879707.db2.gz MSZBNLPVAHGSHL-UHFFFAOYSA-N 1 1 325.413 1.142 20 5 EDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](Cn3ccnn3)C1)OCCO2 ZINC000597173672 449853526 /nfs/dbraw/zinc/85/35/26/449853526.db2.gz GVWLWZKZQGIUGS-LBPRGKRZSA-N 1 1 345.359 1.480 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608960012 449953442 /nfs/dbraw/zinc/95/34/42/449953442.db2.gz UCSPKSYJOCILNL-NEPJUHHUSA-N 1 1 347.371 1.723 20 5 EDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000602894086 449902574 /nfs/dbraw/zinc/90/25/74/449902574.db2.gz YGSYVXQLMCXNKE-NSHDSACASA-N 1 1 335.330 1.750 20 5 EDBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601468918 449991384 /nfs/dbraw/zinc/99/13/84/449991384.db2.gz VYHNDABJHHALBN-NSHDSACASA-N 1 1 345.396 1.805 20 5 EDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000609269921 449995632 /nfs/dbraw/zinc/99/56/32/449995632.db2.gz ZTVHPDSLLNNFOX-ZDUSSCGKSA-N 1 1 337.376 1.444 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000599464818 449996252 /nfs/dbraw/zinc/99/62/52/449996252.db2.gz UDHSXYDEEPOAIO-AWEZNQCLSA-N 1 1 339.417 1.890 20 5 EDBDMO CNc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000609285206 449998771 /nfs/dbraw/zinc/99/87/71/449998771.db2.gz FIZLTPHODWRVEW-GDBMZVCRSA-N 1 1 348.403 1.308 20 5 EDBDMO NS(=O)(=O)C[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000609625450 450075008 /nfs/dbraw/zinc/07/50/08/450075008.db2.gz NEHYJYTUDUECQD-CYBMUJFWSA-N 1 1 343.405 1.117 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000609624100 450073559 /nfs/dbraw/zinc/07/35/59/450073559.db2.gz XOXMNWQODUQPGW-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000609624100 450073566 /nfs/dbraw/zinc/07/35/66/450073566.db2.gz XOXMNWQODUQPGW-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000609624100 450073574 /nfs/dbraw/zinc/07/35/74/450073574.db2.gz XOXMNWQODUQPGW-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000609631696 450076916 /nfs/dbraw/zinc/07/69/16/450076916.db2.gz OLJMVFSHXLQVPO-LBPRGKRZSA-N 1 1 337.376 1.900 20 5 EDBDMO CNc1c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000613231700 450093293 /nfs/dbraw/zinc/09/32/93/450093293.db2.gz FGMLUILPRGAVEB-UKRRQHHQSA-N 1 1 348.403 1.308 20 5 EDBDMO C[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000615494157 450115166 /nfs/dbraw/zinc/11/51/66/450115166.db2.gz BDCXKQYSXBTTOL-ZDUSSCGKSA-N 1 1 332.404 1.971 20 5 EDBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597581071 450125054 /nfs/dbraw/zinc/12/50/54/450125054.db2.gz PJXOMTOMFPLQML-ZIAGYGMSSA-N 1 1 325.315 1.992 20 5 EDBDMO COC(=O)C1C[C@@H](C)[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000599695963 450160612 /nfs/dbraw/zinc/16/06/12/450160612.db2.gz MEAMMWPYDCMHSW-GHMZBOCLSA-N 1 1 349.387 1.856 20 5 EDBDMO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000610409268 450210047 /nfs/dbraw/zinc/21/00/47/450210047.db2.gz DVMXVZSOHWEJCZ-LBPRGKRZSA-N 1 1 327.406 1.523 20 5 EDBDMO C[N@H+]1CC[C@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599832695 450241158 /nfs/dbraw/zinc/24/11/58/450241158.db2.gz ILWHXGSSIOOSRK-INIZCTEOSA-N 1 1 345.359 1.331 20 5 EDBDMO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173962114 534274135 /nfs/dbraw/zinc/27/41/35/534274135.db2.gz WBCASBGLKHXQPR-HVMMPBATSA-N 1 1 345.399 1.787 20 5 EDBDMO Cn1cc(N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000137069816 534741568 /nfs/dbraw/zinc/74/15/68/534741568.db2.gz ZCZJRDFSUWXSSA-MRXNPFEDSA-N 1 1 331.376 1.184 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000174026435 527838669 /nfs/dbraw/zinc/83/86/69/527838669.db2.gz YXLYWJYIZFWQDK-CYBMUJFWSA-N 1 1 341.433 1.866 20 5 EDBDMO CC1([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)OCCO1 ZINC000183827296 528053508 /nfs/dbraw/zinc/05/35/08/528053508.db2.gz HSDQXYPAMCLXPL-CYBMUJFWSA-N 1 1 337.376 1.232 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246904995 536950918 /nfs/dbraw/zinc/95/09/18/536950918.db2.gz XYPWFKCXGYCPOH-NEPJUHHUSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246904995 536950922 /nfs/dbraw/zinc/95/09/22/536950922.db2.gz XYPWFKCXGYCPOH-NEPJUHHUSA-N 1 1 337.376 1.131 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000741579881 579421179 /nfs/dbraw/zinc/42/11/79/579421179.db2.gz QZUZAEOAKWDHIC-DOMZBBRYSA-N 1 1 345.403 1.743 20 5 EDBDMO C[C@H]1CCC[N@@H+]1CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000742426509 579451806 /nfs/dbraw/zinc/45/18/06/579451806.db2.gz XVIJFWKOHYSDDN-NSHDSACASA-N 1 1 327.406 1.895 20 5 EDBDMO C[C@H]1CCC[N@H+]1CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000742426509 579451807 /nfs/dbraw/zinc/45/18/07/579451807.db2.gz XVIJFWKOHYSDDN-NSHDSACASA-N 1 1 327.406 1.895 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCc2ccccc2)C2CC2)c1 ZINC000743842843 579491918 /nfs/dbraw/zinc/49/19/18/579491918.db2.gz MSSQXEKGFPLSFH-QGZVFWFLSA-N 1 1 330.388 1.859 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000726165198 578335293 /nfs/dbraw/zinc/33/52/93/578335293.db2.gz WXBZQBRGYDLGOS-OLZOCXBDSA-N 1 1 344.371 1.669 20 5 EDBDMO C[N@@H+](CCCNC(=O)C1CCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759998795 580021245 /nfs/dbraw/zinc/02/12/45/580021245.db2.gz JZGVZAYBNURNHO-MRXNPFEDSA-N 1 1 335.404 1.866 20 5 EDBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000730157727 578618496 /nfs/dbraw/zinc/61/84/96/578618496.db2.gz XOOKTIZNECCHIX-LBPRGKRZSA-N 1 1 337.449 1.517 20 5 EDBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000733290879 578757101 /nfs/dbraw/zinc/75/71/01/578757101.db2.gz BYYVSIKHHWTJIV-IUODEOHRSA-N 1 1 343.387 1.640 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748097798 579669517 /nfs/dbraw/zinc/66/95/17/579669517.db2.gz ZGJDMGQYYDPPQV-UHFFFAOYSA-N 1 1 328.332 1.266 20 5 EDBDMO O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CCn4cc[nH+]c4C3)cc2N1 ZINC000777801592 580450739 /nfs/dbraw/zinc/45/07/39/580450739.db2.gz HREZAVQRTZZOTP-SECBINFHSA-N 1 1 329.316 1.549 20 5 EDBDMO COC(=O)[C@H](C)C[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CC1 ZINC000749944493 579744605 /nfs/dbraw/zinc/74/46/05/579744605.db2.gz FAFRVEKIEWCSTD-SNVBAGLBSA-N 1 1 347.375 1.879 20 5 EDBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000752235428 579842687 /nfs/dbraw/zinc/84/26/87/579842687.db2.gz MFSFTTRUGYGXRB-SNVBAGLBSA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000752235428 579842688 /nfs/dbraw/zinc/84/26/88/579842688.db2.gz MFSFTTRUGYGXRB-SNVBAGLBSA-N 1 1 347.824 1.929 20 5 EDBDMO 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ZINC000816955134 593563550 /nfs/dbraw/zinc/56/35/50/593563550.db2.gz UVNFTSOKMABYMH-SUMWQHHRSA-N 1 1 344.415 1.971 20 5 EDBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000817151767 593577198 /nfs/dbraw/zinc/57/71/98/593577198.db2.gz ZRHPJRMQUFBPDS-NSHDSACASA-N 1 1 347.824 1.963 20 5 EDBDMO Cc1c(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818586436 593706038 /nfs/dbraw/zinc/70/60/38/593706038.db2.gz XUTYLDXBFWKYLB-LLVKDONJSA-N 1 1 344.274 1.491 20 5 EDBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821057154 593955588 /nfs/dbraw/zinc/95/55/88/593955588.db2.gz MVDNKFKVAPRJNV-DJIMGWMZSA-N 1 1 347.415 1.661 20 5 EDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821088756 593963154 /nfs/dbraw/zinc/96/31/54/593963154.db2.gz UWTOEOVAQIKKAU-NSHDSACASA-N 1 1 346.395 1.338 20 5 EDBDMO CCN1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000821917589 593965769 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O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108403657 595497575 /nfs/dbraw/zinc/49/75/75/595497575.db2.gz QEPQQHLSPKTSKD-NSHDSACASA-N 1 1 343.380 1.497 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000855166787 595618411 /nfs/dbraw/zinc/61/84/11/595618411.db2.gz QAGYPLGUXCESCG-CQSZACIVSA-N 1 1 345.403 1.934 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853515452 595778899 /nfs/dbraw/zinc/77/88/99/595778899.db2.gz VOALKTBHMAUEDT-CYBMUJFWSA-N 1 1 330.392 1.837 20 5 EDBDMO O=C1CC[C@@H]2C[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]2N1 ZINC000853554851 595799669 /nfs/dbraw/zinc/79/96/69/595799669.db2.gz DQVDIKRHHOFOGP-RISCZKNCSA-N 1 1 329.360 1.503 20 5 EDBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000856254706 595936586 /nfs/dbraw/zinc/93/65/86/595936586.db2.gz YIUAPDOCSGQCHZ-ZDUSSCGKSA-N 1 1 337.351 1.405 20 5 EDBDMO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000114063058 595938749 /nfs/dbraw/zinc/93/87/49/595938749.db2.gz ABFLDDNXAUGHSA-VIFPVBQESA-N 1 1 343.767 1.928 20 5 EDBDMO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000114063058 595938751 /nfs/dbraw/zinc/93/87/51/595938751.db2.gz ABFLDDNXAUGHSA-VIFPVBQESA-N 1 1 343.767 1.928 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@]1(C)C[C@@H](OC)C[N@H+]1C ZINC000861350576 595957289 /nfs/dbraw/zinc/95/72/89/595957289.db2.gz DRIHIJGYDRZSPB-WBMJQRKESA-N 1 1 338.360 1.869 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000856476067 596001019 /nfs/dbraw/zinc/00/10/19/596001019.db2.gz LVZBUYMDQXDGNV-PBHICJAKSA-N 1 1 347.415 1.866 20 5 EDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000861863240 596128737 /nfs/dbraw/zinc/12/87/37/596128737.db2.gz NBYHUVPBQSCQIL-NSHDSACASA-N 1 1 341.795 1.825 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854643835 596146971 /nfs/dbraw/zinc/14/69/71/596146971.db2.gz YPIZXOGTWWYNLN-LSDHHAIUSA-N 1 1 337.351 1.669 20 5 EDBDMO C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC[N@@H+]1C ZINC000859622506 596149628 /nfs/dbraw/zinc/14/96/28/596149628.db2.gz LBOHKIFLWHRUOK-NSHDSACASA-N 1 1 347.350 1.696 20 5 EDBDMO C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC[N@H+]1C ZINC000859622506 596149630 /nfs/dbraw/zinc/14/96/30/596149630.db2.gz LBOHKIFLWHRUOK-NSHDSACASA-N 1 1 347.350 1.696 20 5 EDBDMO C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000119046082 596398276 /nfs/dbraw/zinc/39/82/76/596398276.db2.gz WJRFGPYVAIIXAY-TVQRCGJNSA-N 1 1 327.768 1.697 20 5 EDBDMO C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000119046082 596398279 /nfs/dbraw/zinc/39/82/79/596398279.db2.gz WJRFGPYVAIIXAY-TVQRCGJNSA-N 1 1 327.768 1.697 20 5 EDBDMO C[N@H+]1CCCC[C@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000862792266 596413815 /nfs/dbraw/zinc/41/38/15/596413815.db2.gz RFROFKSWEWRGNN-CYBMUJFWSA-N 1 1 345.403 1.793 20 5 EDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000863832810 596700826 /nfs/dbraw/zinc/70/08/26/596700826.db2.gz FOLQQUBCWWHNCG-VIFPVBQESA-N 1 1 348.186 1.698 20 5 EDBDMO COc1cc(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c([N+](=O)[O-])cc1F ZINC000865998620 596753186 /nfs/dbraw/zinc/75/31/86/596753186.db2.gz OZEZSHVMXHMEBE-JTQLQIEISA-N 1 1 327.356 2.000 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000872726584 597048255 /nfs/dbraw/zinc/04/82/55/597048255.db2.gz SEAVJTDHNRTYJQ-GDBMZVCRSA-N 1 1 342.403 1.837 20 5 EDBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c2ccncc21 ZINC000872758147 597060188 /nfs/dbraw/zinc/06/01/88/597060188.db2.gz PTLYPHBOANOPNS-QWHCGFSZSA-N 1 1 328.372 1.788 20 5 EDBDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000879355026 597896370 /nfs/dbraw/zinc/89/63/70/597896370.db2.gz VZQWJMXIXYQAGG-UHFFFAOYSA-N 1 1 340.811 1.454 20 5 EDBDMO CCOC(=O)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000879367078 597900797 /nfs/dbraw/zinc/90/07/97/597900797.db2.gz CQLFDOPJQWURRC-LLVKDONJSA-N 1 1 332.307 1.312 20 5 EDBDMO CCOC(=O)[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000879367078 597900798 /nfs/dbraw/zinc/90/07/98/597900798.db2.gz CQLFDOPJQWURRC-LLVKDONJSA-N 1 1 332.307 1.312 20 5 EDBDMO COc1cc(C[N@@H+](C)[C@@H]2CCOC[C@H]2OC)c([N+](=O)[O-])cc1F ZINC000880433392 597933684 /nfs/dbraw/zinc/93/36/84/597933684.db2.gz WLDQBKHSRLJEGF-IUODEOHRSA-N 1 1 328.340 1.978 20 5 EDBDMO COc1cc(C[N@H+](C)[C@@H]2CCOC[C@H]2OC)c([N+](=O)[O-])cc1F ZINC000880433392 597933686 /nfs/dbraw/zinc/93/36/86/597933686.db2.gz WLDQBKHSRLJEGF-IUODEOHRSA-N 1 1 328.340 1.978 20 5 EDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000882482065 597971937 /nfs/dbraw/zinc/97/19/37/597971937.db2.gz NIMXQVSEJUKHFB-AWEZNQCLSA-N 1 1 348.403 1.255 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000916054717 696617213 /nfs/dbraw/zinc/61/72/13/696617213.db2.gz WFFOBNXGNNXKCC-CYBMUJFWSA-N 1 1 345.403 1.935 20 5 EDBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000917292374 696994658 /nfs/dbraw/zinc/99/46/58/696994658.db2.gz KJVFOPOEBWTSJY-ZIAGYGMSSA-N 1 1 343.387 1.688 20 5 EDBDMO CCOc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996428384 702782566 /nfs/dbraw/zinc/78/25/66/702782566.db2.gz AGCAPIDHSMPHID-HUUCEWRRSA-N 1 1 348.403 1.226 20 5 EDBDMO CCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000996428816 702783131 /nfs/dbraw/zinc/78/31/31/702783131.db2.gz IEWDFXXNJPFXLJ-CHWSQXEVSA-N 1 1 336.392 1.291 20 5 EDBDMO Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC001002782124 709387829 /nfs/dbraw/zinc/38/78/29/709387829.db2.gz IEPBFSBWRWMEFB-HZPDHXFCSA-N 1 1 332.404 1.444 20 5 EDBDMO CC(C)C(=O)N1CCC2(C1)CC[NH+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC001040613538 710177852 /nfs/dbraw/zinc/17/78/52/710177852.db2.gz WOPMCZBZICYKDB-UHFFFAOYSA-N 1 1 349.435 1.799 20 5 EDBDMO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1cnco1 ZINC001003399855 710315834 /nfs/dbraw/zinc/31/58/34/710315834.db2.gz UMGLPDRIYRMLPA-UHFFFAOYSA-N 1 1 330.344 1.977 20 5 EDBDMO COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccn1 ZINC001034643576 710319638 /nfs/dbraw/zinc/31/96/38/710319638.db2.gz PJUHTAZMBANWEY-KBUPBQIOSA-N 1 1 348.403 1.272 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173529237 230962127 /nfs/dbraw/zinc/96/21/27/230962127.db2.gz DCXGJBVGVVOHLD-CQSZACIVSA-N 1 1 337.401 1.538 20 5 EDBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131310537 530034139 /nfs/dbraw/zinc/03/41/39/530034139.db2.gz BPPYPYRRDQRXLI-ZDUSSCGKSA-N 1 1 327.406 1.451 20 5 EDBDMO Cc1nn(CCC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000102487524 219207464 /nfs/dbraw/zinc/20/74/64/219207464.db2.gz WCZXMNUEZOPTHQ-CYBMUJFWSA-N 1 1 335.408 1.399 20 5 EDBDMO CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000067418425 215143127 /nfs/dbraw/zinc/14/31/27/215143127.db2.gz PAFVBYBQJKBLGO-TZMCWYRMSA-N 1 1 348.403 1.770 20 5 EDBDMO CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000067418425 215143130 /nfs/dbraw/zinc/14/31/30/215143130.db2.gz PAFVBYBQJKBLGO-TZMCWYRMSA-N 1 1 348.403 1.770 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000412695186 304027969 /nfs/dbraw/zinc/02/79/69/304027969.db2.gz IWLLACZCXCTUCB-GFCCVEGCSA-N 1 1 329.360 1.664 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000412695186 304027970 /nfs/dbraw/zinc/02/79/70/304027970.db2.gz IWLLACZCXCTUCB-GFCCVEGCSA-N 1 1 329.360 1.664 20 5 EDBDMO Cc1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000090460779 138278577 /nfs/dbraw/zinc/27/85/77/138278577.db2.gz IEHHLTWCXYYYIA-ZIAGYGMSSA-N 1 1 333.388 1.886 20 5 EDBDMO Cc1cccc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000090460779 138278578 /nfs/dbraw/zinc/27/85/78/138278578.db2.gz IEHHLTWCXYYYIA-ZIAGYGMSSA-N 1 1 333.388 1.886 20 5 EDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090465486 138279000 /nfs/dbraw/zinc/27/90/00/138279000.db2.gz FXZLQXMFYZIKBQ-CABCVRRESA-N 1 1 333.388 1.507 20 5 EDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090465486 138279001 /nfs/dbraw/zinc/27/90/01/138279001.db2.gz FXZLQXMFYZIKBQ-CABCVRRESA-N 1 1 333.388 1.507 20 5 EDBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090465039 138279075 /nfs/dbraw/zinc/27/90/75/138279075.db2.gz JKOXBOXJUHVYRM-GDBMZVCRSA-N 1 1 349.387 1.343 20 5 EDBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090465039 138279076 /nfs/dbraw/zinc/27/90/76/138279076.db2.gz JKOXBOXJUHVYRM-GDBMZVCRSA-N 1 1 349.387 1.343 20 5 EDBDMO NC(=O)c1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866791 138313175 /nfs/dbraw/zinc/31/31/75/138313175.db2.gz LBAWCOWDBXKNCA-AWEZNQCLSA-N 1 1 341.371 1.775 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000124754131 138329337 /nfs/dbraw/zinc/32/93/37/138329337.db2.gz DVABDLDDBCNHDS-PHIMTYICSA-N 1 1 341.389 1.118 20 5 EDBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000125381321 138333451 /nfs/dbraw/zinc/33/34/51/138333451.db2.gz AQZQRDWDRSVFCI-ZDUSSCGKSA-N 1 1 335.408 1.657 20 5 EDBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@@H+](C)C1 ZINC000413491672 304062795 /nfs/dbraw/zinc/06/27/95/304062795.db2.gz BHPNGHLTPSKCSA-GFCCVEGCSA-N 1 1 344.371 1.684 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000186967129 236081826 /nfs/dbraw/zinc/08/18/26/236081826.db2.gz NISLSWUKKGQKNM-ZDUSSCGKSA-N 1 1 335.404 1.820 20 5 EDBDMO O=C(NC1CC1)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000130986672 223194315 /nfs/dbraw/zinc/19/43/15/223194315.db2.gz PWFMTBIDCBUXSJ-OAHLLOKOSA-N 1 1 347.350 1.540 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000195090248 139006744 /nfs/dbraw/zinc/00/67/44/139006744.db2.gz TVWXOLQEDLYKIR-AWEZNQCLSA-N 1 1 347.371 1.692 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000195090248 139006745 /nfs/dbraw/zinc/00/67/45/139006745.db2.gz TVWXOLQEDLYKIR-AWEZNQCLSA-N 1 1 347.371 1.692 20 5 EDBDMO COC(=O)c1cc(C(=O)NCC[N@@H+](C)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000078510219 217066265 /nfs/dbraw/zinc/06/62/65/217066265.db2.gz HLYNCANFZMGOQA-UHFFFAOYSA-N 1 1 349.387 1.986 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000079001054 217171317 /nfs/dbraw/zinc/17/13/17/217171317.db2.gz FBCFXNSWEKYAFF-UHFFFAOYSA-N 1 1 348.359 1.979 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000110865799 220071766 /nfs/dbraw/zinc/07/17/66/220071766.db2.gz LDMGOFURBIJODB-UHFFFAOYSA-N 1 1 334.420 1.613 20 5 EDBDMO O=C1CC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]2N1C1CC1 ZINC000245637355 139081843 /nfs/dbraw/zinc/08/18/43/139081843.db2.gz RPYWYXMUXWIIEY-GXTWGEPZSA-N 1 1 333.392 1.267 20 5 EDBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261891983 139234549 /nfs/dbraw/zinc/23/45/49/139234549.db2.gz ZSXIGDFBAHQSPX-OAHLLOKOSA-N 1 1 330.319 1.916 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416996053 251122527 /nfs/dbraw/zinc/12/25/27/251122527.db2.gz MGAMLLDTAHPNPL-CHWSQXEVSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416996053 251122529 /nfs/dbraw/zinc/12/25/29/251122529.db2.gz MGAMLLDTAHPNPL-CHWSQXEVSA-N 1 1 336.392 1.822 20 5 EDBDMO C[C@@H]1CC2(CN1CC(=O)Nc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424285938 252189545 /nfs/dbraw/zinc/18/95/45/252189545.db2.gz GKOFTQIRPYPCMM-CYBMUJFWSA-N 1 1 332.404 1.997 20 5 EDBDMO COc1ccnc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000424310527 252194605 /nfs/dbraw/zinc/19/46/05/252194605.db2.gz SHFZNIGVSLYGRR-NWDGAFQWSA-N 1 1 332.364 1.863 20 5 EDBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O ZINC000426214457 252325331 /nfs/dbraw/zinc/32/53/31/252325331.db2.gz FYWWGCJGXZVNRS-HUUCEWRRSA-N 1 1 342.417 1.604 20 5 EDBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O ZINC000426214457 252325333 /nfs/dbraw/zinc/32/53/33/252325333.db2.gz FYWWGCJGXZVNRS-HUUCEWRRSA-N 1 1 342.417 1.604 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459648010 285164678 /nfs/dbraw/zinc/16/46/78/285164678.db2.gz BPDTXTPUVWMFOU-FMKPAKJESA-N 1 1 348.399 1.835 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175390332 285241168 /nfs/dbraw/zinc/24/11/68/285241168.db2.gz JXZKNVMXJAHSEG-GFCCVEGCSA-N 1 1 327.406 1.700 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459801661 255003028 /nfs/dbraw/zinc/00/30/28/255003028.db2.gz LHLXTLOVEOWTJU-OWCLPIDISA-N 1 1 338.408 1.025 20 5 EDBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493550471 255215341 /nfs/dbraw/zinc/21/53/41/255215341.db2.gz IECLKHBIOCTHJO-BMWLXYDHSA-N 1 1 332.404 1.360 20 5 EDBDMO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1CCO ZINC000493639738 255217876 /nfs/dbraw/zinc/21/78/76/255217876.db2.gz FKFZTLSNGOHHDM-SJOWAIJRSA-N 1 1 333.388 1.522 20 5 EDBDMO CC[N@@H+](CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000118121688 221123633 /nfs/dbraw/zinc/12/36/33/221123633.db2.gz BKYPYSUZPOBJQI-UHFFFAOYSA-N 1 1 334.376 1.442 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000119637263 221364988 /nfs/dbraw/zinc/36/49/88/221364988.db2.gz WICXLMNIWPCCDY-HIFRSBDPSA-N 1 1 343.387 1.428 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000271168348 140250117 /nfs/dbraw/zinc/25/01/17/140250117.db2.gz LQGOJSNXTKCFCA-GFCCVEGCSA-N 1 1 348.403 1.899 20 5 EDBDMO 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ZINC000331544867 141046128 /nfs/dbraw/zinc/04/61/28/141046128.db2.gz QYQCNSBKRDTMII-SMDDNHRTSA-N 1 1 339.417 1.664 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C(N)=O ZINC000331727722 141074262 /nfs/dbraw/zinc/07/42/62/141074262.db2.gz OFNUCUUFBLFNPG-ZWNOBZJWSA-N 1 1 332.360 1.587 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000331999757 141108801 /nfs/dbraw/zinc/10/88/01/141108801.db2.gz VJNUOTFZSBBGKJ-LZWOXQAQSA-N 1 1 349.387 1.840 20 5 EDBDMO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1CC(C)(C)O ZINC000332218477 141142063 /nfs/dbraw/zinc/14/20/63/141142063.db2.gz IKSAEJAXFRLFBB-LBPRGKRZSA-N 1 1 347.419 1.748 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000332340272 141165441 /nfs/dbraw/zinc/16/54/41/141165441.db2.gz WXTAJSZOFSJUQL-WBVHZDCISA-N 1 1 335.404 1.898 20 5 EDBDMO CO[C@H]1C[C@@H](CO)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000344704536 143000929 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SNOXJDQTKUJUEZ-GDBMZVCRSA-N 1 1 348.403 1.518 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346188353 143176994 /nfs/dbraw/zinc/17/69/94/143176994.db2.gz JDCKQSLOKICLLK-OFQRWUPVSA-N 1 1 337.420 1.749 20 5 EDBDMO CCN1C[C@H](C)[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346188353 143176995 /nfs/dbraw/zinc/17/69/95/143176995.db2.gz JDCKQSLOKICLLK-OFQRWUPVSA-N 1 1 337.420 1.749 20 5 EDBDMO CCN1C[C@H](C)[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346188353 143176996 /nfs/dbraw/zinc/17/69/96/143176996.db2.gz JDCKQSLOKICLLK-OFQRWUPVSA-N 1 1 337.420 1.749 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346444100 143205401 /nfs/dbraw/zinc/20/54/01/143205401.db2.gz BGFMKHNSLKEQQF-CQSZACIVSA-N 1 1 346.387 1.538 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000346648704 143226328 /nfs/dbraw/zinc/22/63/28/143226328.db2.gz PMMABSCEJQEWQF-YNEHKIRRSA-N 1 1 338.360 1.218 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CC(C)c1[nH]nc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000294122278 303066069 /nfs/dbraw/zinc/06/60/69/303066069.db2.gz LVXPNNFOFMPVSX-INIZCTEOSA-N 1 1 335.408 1.999 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000294122278 303066071 /nfs/dbraw/zinc/06/60/71/303066071.db2.gz LVXPNNFOFMPVSX-INIZCTEOSA-N 1 1 335.408 1.999 20 5 EDBDMO C[C@@H]1CN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)[N@@H+]1C ZINC000294502605 303116752 /nfs/dbraw/zinc/11/67/52/303116752.db2.gz ZZPBJOMAKXWCOG-ZOWXZIJZSA-N 1 1 346.387 1.251 20 5 EDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000295339642 303206607 /nfs/dbraw/zinc/20/66/07/303206607.db2.gz YBQYZVDDOPQRBD-INIZCTEOSA-N 1 1 347.350 1.554 20 5 EDBDMO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000296676810 303330941 /nfs/dbraw/zinc/33/09/41/303330941.db2.gz HPYREJIQTYEREU-ZBFHGGJFSA-N 1 1 349.431 1.751 20 5 EDBDMO 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EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCc3ccccc3CC2)c1 ZINC000451714171 305364107 /nfs/dbraw/zinc/36/41/07/305364107.db2.gz UIKNHOZZHBJZQT-KRWDZBQOSA-N 1 1 330.388 1.643 20 5 EDBDMO CO[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000451757828 305367385 /nfs/dbraw/zinc/36/73/85/305367385.db2.gz IPFYRXCTVRINFX-UKRRQHHQSA-N 1 1 333.344 1.484 20 5 EDBDMO Cc1sc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452345857 305390610 /nfs/dbraw/zinc/39/06/10/305390610.db2.gz FVLBXYUKPBTOKD-NSHDSACASA-N 1 1 327.406 1.541 20 5 EDBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)C1 ZINC000548413862 306127586 /nfs/dbraw/zinc/12/75/86/306127586.db2.gz IQJKUUNTJJNAHY-DGCLKSJQSA-N 1 1 339.396 1.185 20 5 EDBDMO COc1ccc(NC(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000415434756 447436052 /nfs/dbraw/zinc/43/60/52/447436052.db2.gz HXULGNVCCUXKSP-AWEZNQCLSA-N 1 1 326.328 1.769 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[NH+]2CCCCC2)c1C ZINC000046034718 441071288 /nfs/dbraw/zinc/07/12/88/441071288.db2.gz SNKQNODMGHRZIW-UHFFFAOYSA-N 1 1 341.433 1.976 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000070790716 441120871 /nfs/dbraw/zinc/12/08/71/441120871.db2.gz HWBGVSFPMLFINZ-UHFFFAOYSA-N 1 1 331.376 1.529 20 5 EDBDMO CN(C(=O)C[NH+]1CCC2(CNC(=O)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000072697098 441251706 /nfs/dbraw/zinc/25/17/06/441251706.db2.gz FKTBNEQNEYHKTI-UHFFFAOYSA-N 1 1 346.387 1.160 20 5 EDBDMO NC(=O)CC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000048026642 441252835 /nfs/dbraw/zinc/25/28/35/441252835.db2.gz QCCOKFBLCWVKGB-UHFFFAOYSA-N 1 1 335.360 1.549 20 5 EDBDMO CNC(=O)[C@H](C)C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000081527753 441282527 /nfs/dbraw/zinc/28/25/27/441282527.db2.gz ZUSNGNGCZZTTCU-BXUZGUMPSA-N 1 1 334.376 1.014 20 5 EDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000106393305 441337010 /nfs/dbraw/zinc/33/70/10/441337010.db2.gz JCPOKPZFZMZHJR-GFCCVEGCSA-N 1 1 325.340 1.263 20 5 EDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000106393303 441337477 /nfs/dbraw/zinc/33/74/77/441337477.db2.gz JCPOKPZFZMZHJR-LBPRGKRZSA-N 1 1 325.340 1.263 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)n1C ZINC000074095291 441390456 /nfs/dbraw/zinc/39/04/56/441390456.db2.gz HJHMAQYWNZUABB-UHFFFAOYSA-N 1 1 346.391 1.390 20 5 EDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000074106372 441394767 /nfs/dbraw/zinc/39/47/67/441394767.db2.gz OORBVCWPSFOYCR-CYBMUJFWSA-N 1 1 337.376 1.201 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3nc[nH]n3)CC2)c1 ZINC000083424921 441360688 /nfs/dbraw/zinc/36/06/88/441360688.db2.gz JXMBRHNUMWLQKZ-AWEZNQCLSA-N 1 1 347.375 1.332 20 5 EDBDMO COC(=O)c1cc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000107631017 441422172 /nfs/dbraw/zinc/42/21/72/441422172.db2.gz FUAAPYHCBOTARD-LBPRGKRZSA-N 1 1 349.387 1.843 20 5 EDBDMO CCOC(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000108332400 441445522 /nfs/dbraw/zinc/44/55/22/441445522.db2.gz WCSRGGOJTQIMTF-GFCCVEGCSA-N 1 1 349.387 1.843 20 5 EDBDMO COc1cc(OCC(=O)NC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000108344738 441447513 /nfs/dbraw/zinc/44/75/13/441447513.db2.gz RPLNPIYPKVDMTR-LBPRGKRZSA-N 1 1 337.376 1.440 20 5 EDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CCO)c1ccccc1 ZINC000075899727 441565032 /nfs/dbraw/zinc/56/50/32/441565032.db2.gz OAXIRUYBHDPCLF-HOTGVXAUSA-N 1 1 334.376 1.208 20 5 EDBDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000113257010 441592617 /nfs/dbraw/zinc/59/26/17/441592617.db2.gz SOHNGYCUIGINAB-NEPJUHHUSA-N 1 1 330.406 1.727 20 5 EDBDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000113257010 441592619 /nfs/dbraw/zinc/59/26/19/441592619.db2.gz SOHNGYCUIGINAB-NEPJUHHUSA-N 1 1 330.406 1.727 20 5 EDBDMO COC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000113309410 441601391 /nfs/dbraw/zinc/60/13/91/441601391.db2.gz YPTCIZGNCWDXNE-IUODEOHRSA-N 1 1 347.371 1.585 20 5 EDBDMO COC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000113309410 441601392 /nfs/dbraw/zinc/60/13/92/441601392.db2.gz YPTCIZGNCWDXNE-IUODEOHRSA-N 1 1 347.371 1.585 20 5 EDBDMO COc1cc(C(=O)N[C@H](C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000114372384 441650175 /nfs/dbraw/zinc/65/01/75/441650175.db2.gz WZXWTAZHXUWGKA-GFCCVEGCSA-N 1 1 337.376 1.444 20 5 EDBDMO CNC(=O)C[NH+]1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000076679684 441674697 /nfs/dbraw/zinc/67/46/97/441674697.db2.gz GJDCATLTZOGHCB-UHFFFAOYSA-N 1 1 343.387 1.765 20 5 EDBDMO CC[NH+]1CCN(C(=O)CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000121708419 441763108 /nfs/dbraw/zinc/76/31/08/441763108.db2.gz ZQEAZOANJBZUHC-UHFFFAOYSA-N 1 1 328.319 1.449 20 5 EDBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000068468658 441804057 /nfs/dbraw/zinc/80/40/57/441804057.db2.gz OCJQZOBHZGGQHV-ZDUSSCGKSA-N 1 1 328.372 1.902 20 5 EDBDMO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093146687 441860852 /nfs/dbraw/zinc/86/08/52/441860852.db2.gz PQYVENBRHQGVDR-INIZCTEOSA-N 1 1 348.447 1.902 20 5 EDBDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093146687 441860855 /nfs/dbraw/zinc/86/08/55/441860855.db2.gz PQYVENBRHQGVDR-INIZCTEOSA-N 1 1 348.447 1.902 20 5 EDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000124440285 441926632 /nfs/dbraw/zinc/92/66/32/441926632.db2.gz OOHDDUOSYLNSLY-BDJLRTHQSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000124440285 441926637 /nfs/dbraw/zinc/92/66/37/441926637.db2.gz OOHDDUOSYLNSLY-BDJLRTHQSA-N 1 1 337.376 1.777 20 5 EDBDMO Cc1cnc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c([N+](=O)[O-])c1 ZINC000078666249 441960326 /nfs/dbraw/zinc/96/03/26/441960326.db2.gz FQMLKTGJPKUALC-UHFFFAOYSA-N 1 1 343.391 1.481 20 5 EDBDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000161967560 442049976 /nfs/dbraw/zinc/04/99/76/442049976.db2.gz QEIBYUHPQORZIL-LLVKDONJSA-N 1 1 339.373 1.817 20 5 EDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162196868 442072498 /nfs/dbraw/zinc/07/24/98/442072498.db2.gz STBMXXKIHVTSMW-INIZCTEOSA-N 1 1 332.404 1.333 20 5 EDBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)C[S@@](C)=O)c([N+](=O)[O-])c1 ZINC000126328977 442100223 /nfs/dbraw/zinc/10/02/23/442100223.db2.gz GCFPBHVZHHBYSB-XFNZEKPQSA-N 1 1 330.406 1.681 20 5 EDBDMO NC(=O)CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000170734667 442253557 /nfs/dbraw/zinc/25/35/57/442253557.db2.gz FRGOWALMLQMUFY-ZDUSSCGKSA-N 1 1 348.403 1.901 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000153699387 442297468 /nfs/dbraw/zinc/29/74/68/442297468.db2.gz UDHHBYYMLONIBY-GFCCVEGCSA-N 1 1 334.376 1.300 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000177445482 442342675 /nfs/dbraw/zinc/34/26/75/442342675.db2.gz DKKXMDXPWRGQTN-MRXNPFEDSA-N 1 1 335.360 1.727 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000177445482 442342678 /nfs/dbraw/zinc/34/26/78/442342678.db2.gz DKKXMDXPWRGQTN-MRXNPFEDSA-N 1 1 335.360 1.727 20 5 EDBDMO COc1cc(OCC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177168806 442308564 /nfs/dbraw/zinc/30/85/64/442308564.db2.gz BTKGRHSNGDSLNF-RYUDHWBXSA-N 1 1 349.387 1.724 20 5 EDBDMO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1C[N@H+](C)CCO1 ZINC000154842896 442359648 /nfs/dbraw/zinc/35/96/48/442359648.db2.gz PYDVYTLGRMWSOI-BONVTDFDSA-N 1 1 334.376 1.611 20 5 EDBDMO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1C[N@@H+](C)CCO1 ZINC000154842896 442359651 /nfs/dbraw/zinc/35/96/51/442359651.db2.gz PYDVYTLGRMWSOI-BONVTDFDSA-N 1 1 334.376 1.611 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000180382779 442591754 /nfs/dbraw/zinc/59/17/54/442591754.db2.gz YTYKQKUFQAUGGN-CYBMUJFWSA-N 1 1 349.387 1.233 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000180382779 442591756 /nfs/dbraw/zinc/59/17/56/442591756.db2.gz YTYKQKUFQAUGGN-CYBMUJFWSA-N 1 1 349.387 1.233 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000186706865 442595523 /nfs/dbraw/zinc/59/55/23/442595523.db2.gz CTSGHJHFYDLCIU-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000135944302 442642681 /nfs/dbraw/zinc/64/26/81/442642681.db2.gz DVIMYCQODPBXHL-DGCLKSJQSA-N 1 1 339.367 1.651 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000135944302 442642686 /nfs/dbraw/zinc/64/26/86/442642686.db2.gz DVIMYCQODPBXHL-DGCLKSJQSA-N 1 1 339.367 1.651 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@H]2C1 ZINC000192529055 442658309 /nfs/dbraw/zinc/65/83/09/442658309.db2.gz UYVKWSNVDMTUAL-TXEJJXNPSA-N 1 1 326.356 1.777 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)C[C@H]2C1 ZINC000192464636 442649531 /nfs/dbraw/zinc/64/95/31/442649531.db2.gz LLJVJSMVMYZZTM-BFQNTYOBSA-N 1 1 344.371 1.108 20 5 EDBDMO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000157862685 442622124 /nfs/dbraw/zinc/62/21/24/442622124.db2.gz XXLHRNHXFXWYRP-WFASDCNBSA-N 1 1 336.392 1.232 20 5 EDBDMO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000157862685 442622126 /nfs/dbraw/zinc/62/21/26/442622126.db2.gz XXLHRNHXFXWYRP-WFASDCNBSA-N 1 1 336.392 1.232 20 5 EDBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173229296 442628956 /nfs/dbraw/zinc/62/89/56/442628956.db2.gz KQEWWLVDDOMJKC-ZDUSSCGKSA-N 1 1 334.376 1.781 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000192921320 442698573 /nfs/dbraw/zinc/69/85/73/442698573.db2.gz CGLXNZKVIPNTIZ-TXEJJXNPSA-N 1 1 325.390 1.085 20 5 EDBDMO CC(C)N(CC[NH+](C)C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000193377435 442737325 /nfs/dbraw/zinc/73/73/25/442737325.db2.gz ZSPJISIMPCKGHL-UHFFFAOYSA-N 1 1 335.451 1.836 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000193859482 442800888 /nfs/dbraw/zinc/80/08/88/442800888.db2.gz QKNFSKJFLYPUSA-GFCCVEGCSA-N 1 1 329.360 1.796 20 5 EDBDMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000268127469 442860337 /nfs/dbraw/zinc/86/03/37/442860337.db2.gz HLKKWMDPNHEVHX-HZMBPMFUSA-N 1 1 339.417 1.893 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000268127469 442860341 /nfs/dbraw/zinc/86/03/41/442860341.db2.gz HLKKWMDPNHEVHX-HZMBPMFUSA-N 1 1 339.417 1.893 20 5 EDBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000247915848 442873610 /nfs/dbraw/zinc/87/36/10/442873610.db2.gz BBOLNKKONPNCFV-HIFRSBDPSA-N 1 1 343.387 1.812 20 5 EDBDMO C[C@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[N@@H+](C)C1CC1 ZINC000189362100 442929716 /nfs/dbraw/zinc/92/97/16/442929716.db2.gz SJHROCRLNGZSTB-GFCCVEGCSA-N 1 1 348.403 1.850 20 5 EDBDMO COc1cc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC000184085781 442990689 /nfs/dbraw/zinc/99/06/89/442990689.db2.gz WGTCDPXKASPVEK-UHFFFAOYSA-N 1 1 343.387 1.758 20 5 EDBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CC2)CC1 ZINC000266095232 443015300 /nfs/dbraw/zinc/01/53/00/443015300.db2.gz GAQSITARZAWLFZ-UHFFFAOYSA-N 1 1 332.360 1.836 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000184370379 443016317 /nfs/dbraw/zinc/01/63/17/443016317.db2.gz UMIDKJWNDYIFKD-LQYUOIDQSA-N 1 1 346.431 1.750 20 5 EDBDMO COC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000184508774 443031623 /nfs/dbraw/zinc/03/16/23/443031623.db2.gz 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Cn1cc(N2CC[C@@H]([N@H+](C)CCc3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000282526718 443364845 /nfs/dbraw/zinc/36/48/45/443364845.db2.gz UPFRIYZQYMDIFW-MRXNPFEDSA-N 1 1 343.387 1.608 20 5 EDBDMO Cn1cc(N2CC[C@@H]([N@@H+](C)CCc3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000282526718 443364848 /nfs/dbraw/zinc/36/48/48/443364848.db2.gz UPFRIYZQYMDIFW-MRXNPFEDSA-N 1 1 343.387 1.608 20 5 EDBDMO COC[C@@H](O)CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272562564 443364796 /nfs/dbraw/zinc/36/47/96/443364796.db2.gz UEEQDPIPOXYSMF-LSDHHAIUSA-N 1 1 334.376 1.405 20 5 EDBDMO COC(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000264663907 443366054 /nfs/dbraw/zinc/36/60/54/443366054.db2.gz UORUIONSIZVDFM-NSHDSACASA-N 1 1 347.371 1.596 20 5 EDBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000264666369 443366174 /nfs/dbraw/zinc/36/61/74/443366174.db2.gz IMLJDQRVEPAZCV-GFCCVEGCSA-N 1 1 331.376 1.052 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C 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CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC12COC2 ZINC000449367410 320184780 /nfs/dbraw/zinc/18/47/80/320184780.db2.gz WCIOYXSVXJCHBY-HNNXBMFYSA-N 1 1 334.372 1.915 20 5 EDBDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC12COC2 ZINC000449367411 320184963 /nfs/dbraw/zinc/18/49/63/320184963.db2.gz WCIOYXSVXJCHBY-OAHLLOKOSA-N 1 1 334.372 1.915 20 5 EDBDMO COC(=O)COc1ccc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449522071 320193642 /nfs/dbraw/zinc/19/36/42/320193642.db2.gz KNGSZVJTMOWOFD-DZGCQCFKSA-N 1 1 349.387 1.283 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000454113731 320285703 /nfs/dbraw/zinc/28/57/03/320285703.db2.gz WQQACRGOBWNXCS-CQSZACIVSA-N 1 1 348.403 1.783 20 5 EDBDMO CCn1cnc2c(c1=O)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000286231428 443672414 /nfs/dbraw/zinc/67/24/14/443672414.db2.gz RJIVLGAHBQNZQF-UHFFFAOYSA-N 1 1 344.371 1.609 20 5 EDBDMO CCn1cnc2c(c1=O)CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000286231428 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1.276 20 5 EDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280225067 443678077 /nfs/dbraw/zinc/67/80/77/443678077.db2.gz APQYRZNFAMXSHZ-HWPZZCPQSA-N 1 1 345.359 1.903 20 5 EDBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000286266177 443679835 /nfs/dbraw/zinc/67/98/35/443679835.db2.gz BFOUYFWMGNYLQS-NSHDSACASA-N 1 1 336.270 1.219 20 5 EDBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000286266177 443679839 /nfs/dbraw/zinc/67/98/39/443679839.db2.gz BFOUYFWMGNYLQS-NSHDSACASA-N 1 1 336.270 1.219 20 5 EDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000280859715 443760245 /nfs/dbraw/zinc/76/02/45/443760245.db2.gz INNQNHMWZMXNNI-HNNXBMFYSA-N 1 1 325.340 1.701 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281169741 443836969 /nfs/dbraw/zinc/83/69/69/443836969.db2.gz AAUHLQFLUKDBKR-GYSYKLTISA-N 1 1 348.359 1.352 20 5 EDBDMO 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ZINC000301399555 444169746 /nfs/dbraw/zinc/16/97/46/444169746.db2.gz HWSWAFHVPZKVFI-NWDGAFQWSA-N 1 1 337.376 1.273 20 5 EDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000301691912 444185682 /nfs/dbraw/zinc/18/56/82/444185682.db2.gz YZXZTVQGNZHFDE-QWHCGFSZSA-N 1 1 342.193 1.877 20 5 EDBDMO COC(=O)c1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc(C)c1[N+](=O)[O-] ZINC000301742890 444188457 /nfs/dbraw/zinc/18/84/57/444188457.db2.gz FRZBKIPMUWXJQP-RISCZKNCSA-N 1 1 337.376 1.821 20 5 EDBDMO COC(=O)c1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc(C)c1[N+](=O)[O-] ZINC000301742890 444188460 /nfs/dbraw/zinc/18/84/60/444188460.db2.gz FRZBKIPMUWXJQP-RISCZKNCSA-N 1 1 337.376 1.821 20 5 EDBDMO CC(C)[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000302069328 444203333 /nfs/dbraw/zinc/20/33/33/444203333.db2.gz VEOXGDCWRJXDSK-QGZVFWFLSA-N 1 1 336.436 1.771 20 5 EDBDMO COc1c(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000331043861 444371587 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WHFUPGLHQQTQMR-CQSZACIVSA-N 1 1 348.403 1.315 20 5 EDBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596109764 449365842 /nfs/dbraw/zinc/36/58/42/449365842.db2.gz INLJVWOFLMNOCB-GFCCVEGCSA-N 1 1 337.380 1.050 20 5 EDBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594322025 449447942 /nfs/dbraw/zinc/44/79/42/449447942.db2.gz KAKGSOLOAZXZHA-OAHLLOKOSA-N 1 1 343.387 1.430 20 5 EDBDMO C[C@H](CO)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000614185965 449494530 /nfs/dbraw/zinc/49/45/30/449494530.db2.gz YHDPUODKPGOAEF-LBPRGKRZSA-N 1 1 333.392 1.612 20 5 EDBDMO O=[N+]([O-])c1cncc(Cl)c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596541518 449546878 /nfs/dbraw/zinc/54/68/78/449546878.db2.gz YQPWHMAAXZENBY-LLVKDONJSA-N 1 1 326.784 1.679 20 5 EDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2nncn2C)CC1 ZINC000594611528 449594263 /nfs/dbraw/zinc/59/42/63/449594263.db2.gz GYWHVANVQGPBON-GXDHUFHOSA-N 1 1 342.403 1.949 20 5 EDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601039335 449669128 /nfs/dbraw/zinc/66/91/28/449669128.db2.gz CLJQMMGNXCZAJJ-NSHDSACASA-N 1 1 325.340 1.263 20 5 EDBDMO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000598894685 449634009 /nfs/dbraw/zinc/63/40/09/449634009.db2.gz RJMWYXXBNBYSEU-LBPRGKRZSA-N 1 1 347.375 1.069 20 5 EDBDMO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C[N@H+]1CCO ZINC000602695802 449754519 /nfs/dbraw/zinc/75/45/19/449754519.db2.gz OELKQCGNJIAQLE-NEPJUHHUSA-N 1 1 334.376 1.623 20 5 EDBDMO C[C@]12C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@]1(C)C(=O)NC2=O ZINC000602724389 449768810 /nfs/dbraw/zinc/76/88/10/449768810.db2.gz KWCPPSNVNLCFIQ-GASCZTMLSA-N 1 1 337.763 1.733 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000602794913 449814982 /nfs/dbraw/zinc/81/49/82/449814982.db2.gz PXZSTTKCXHEIST-CHWSQXEVSA-N 1 1 344.437 1.387 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O 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EDBDMO CNC(=O)[C@H]1CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848488502 595393705 /nfs/dbraw/zinc/39/37/05/595393705.db2.gz CNWJYXRFHSSVEL-LBPRGKRZSA-N 1 1 329.360 1.484 20 5 EDBDMO COc1cc(NCC(=O)N2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000853264953 595722608 /nfs/dbraw/zinc/72/26/08/595722608.db2.gz YTYJWQIWUGPMMJ-UHFFFAOYSA-N 1 1 342.783 1.443 20 5 EDBDMO O=C1C[C@]2(CC[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccccn4)n3)C2)CN1 ZINC000853512113 595777458 /nfs/dbraw/zinc/77/74/58/595777458.db2.gz YPUXUQXOOHFMBL-MRXNPFEDSA-N 1 1 342.359 1.023 20 5 EDBDMO O=C1C[C@]2(CC[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccccn4)n3)C2)CN1 ZINC000853512113 595777462 /nfs/dbraw/zinc/77/74/62/595777462.db2.gz YPUXUQXOOHFMBL-MRXNPFEDSA-N 1 1 342.359 1.023 20 5 EDBDMO C[C@@]12COC[C@@H]1C[N@@H+](Cn1cnc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000853567174 595807449 /nfs/dbraw/zinc/80/74/49/595807449.db2.gz ULVJAVACMUFIGV-XJKSGUPXSA-N 1 1 329.360 1.779 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000860976458 595851388 /nfs/dbraw/zinc/85/13/88/595851388.db2.gz WCAMVJSQUNJIGI-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000860976458 595851390 /nfs/dbraw/zinc/85/13/90/595851390.db2.gz WCAMVJSQUNJIGI-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000858812786 595897640 /nfs/dbraw/zinc/89/76/40/595897640.db2.gz SVGNQZVRYZGPBH-GFCCVEGCSA-N 1 1 336.348 1.030 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@H+]2C)n1 ZINC000861350243 595955975 /nfs/dbraw/zinc/95/59/75/595955975.db2.gz BUYUHLSXYGHJKP-QMTHXVAHSA-N 1 1 326.353 1.077 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@]1(C)C[C@@H](OC)C[N@H+]1C ZINC000861350575 595957214 /nfs/dbraw/zinc/95/72/14/595957214.db2.gz DRIHIJGYDRZSPB-MLGOLLRUSA-N 1 1 338.360 1.869 20 5 EDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852018537 596008488 /nfs/dbraw/zinc/00/84/88/596008488.db2.gz ODWRLNZWROPISE-SFHVURJKSA-N 1 1 343.383 1.442 20 5 EDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852037845 596017045 /nfs/dbraw/zinc/01/70/45/596017045.db2.gz BMZFMJHHPWZVRG-SFHVURJKSA-N 1 1 343.383 1.442 20 5 EDBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861712711 596077430 /nfs/dbraw/zinc/07/74/30/596077430.db2.gz SFKUVQISZBZIMF-MNOVXSKESA-N 1 1 339.779 1.529 20 5 EDBDMO O=C1CCC2=C(CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)N1 ZINC000852298048 596115456 /nfs/dbraw/zinc/11/54/56/596115456.db2.gz UJCLRBQNVAXNQF-ZDUSSCGKSA-N 1 1 347.371 1.204 20 5 EDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868896018 596343220 /nfs/dbraw/zinc/34/32/20/596343220.db2.gz FZRGEGITZSLZLK-RYUDHWBXSA-N 1 1 339.367 1.190 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868896018 596343222 /nfs/dbraw/zinc/34/32/22/596343222.db2.gz FZRGEGITZSLZLK-RYUDHWBXSA-N 1 1 339.367 1.190 20 5 EDBDMO C[N@@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322428 596550439 /nfs/dbraw/zinc/55/04/39/596550439.db2.gz GLKADBZVILVPFF-JNSHFYNHSA-N 1 1 329.360 1.612 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H](C)N2CC[NH2+]CC2=O)n1 ZINC000863661871 596648494 /nfs/dbraw/zinc/64/84/94/596648494.db2.gz RRIBMSZZYKMEIT-SNVBAGLBSA-N 1 1 331.332 1.446 20 5 EDBDMO COc1cccc(C[C@@H]([NH3+])c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1 ZINC000863670280 596652385 /nfs/dbraw/zinc/65/23/85/596652385.db2.gz LDGSYIHOVKTXCV-LLVKDONJSA-N 1 1 344.331 1.629 20 5 EDBDMO Cc1c(-c2noc([C@@H](C)N3CC[NH2+]CC3=O)n2)cccc1[N+](=O)[O-] ZINC000863677856 596655357 /nfs/dbraw/zinc/65/53/57/596655357.db2.gz MNTXILFSLDPQCT-SNVBAGLBSA-N 1 1 331.332 1.446 20 5 EDBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCN(C)CC1 ZINC000866264342 596841821 /nfs/dbraw/zinc/84/18/21/596841821.db2.gz YKIZIQNRAPLIEQ-KBPBESRZSA-N 1 1 338.427 1.890 20 5 EDBDMO C[C@@H](NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000872878369 597107220 /nfs/dbraw/zinc/10/72/20/597107220.db2.gz RLJUIMCXCUWRDU-RDBSUJKOSA-N 1 1 348.403 1.818 20 5 EDBDMO Cc1cc(OCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000874831261 597189629 /nfs/dbraw/zinc/18/96/29/597189629.db2.gz YXVPOSUOBBBCJP-CVEARBPZSA-N 1 1 333.388 1.977 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000874840949 597195119 /nfs/dbraw/zinc/19/51/19/597195119.db2.gz SFHAVYPIWKKLJZ-KBPBESRZSA-N 1 1 347.371 1.481 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@H](CO)[C@H](CO)C3)o2)c1 ZINC000877764484 597553494 /nfs/dbraw/zinc/55/34/94/597553494.db2.gz FUCKTIBWRZXWGT-OKILXGFUSA-N 1 1 332.356 1.887 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879567031 597634485 /nfs/dbraw/zinc/63/44/85/597634485.db2.gz LIDOFMYRPSHGNY-FRFSOERESA-N 1 1 335.404 1.361 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879574988 597637942 /nfs/dbraw/zinc/63/79/42/597637942.db2.gz HOEOJYILJQDNPU-BBRMVZONSA-N 1 1 332.404 1.868 20 5 EDBDMO COc1ccc(NC(=O)CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000879574960 597638023 /nfs/dbraw/zinc/63/80/23/597638023.db2.gz HEYMOLFBNAAACT-WFASDCNBSA-N 1 1 348.403 1.568 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879576732 597639958 /nfs/dbraw/zinc/63/99/58/597639958.db2.gz TUKWWTIUXWROGY-IPYPFGDCSA-N 1 1 332.404 1.948 20 5 EDBDMO CC(C)(O)[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000880146713 597856925 /nfs/dbraw/zinc/85/69/25/597856925.db2.gz PHYRFZIVXOIBCH-CYBMUJFWSA-N 1 1 333.388 1.577 20 5 EDBDMO CO[C@H]1COCC[C@H]1[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000880428577 597930252 /nfs/dbraw/zinc/93/02/52/597930252.db2.gz BTSKEMLZFFAPMI-CABCVRRESA-N 1 1 337.376 1.293 20 5 EDBDMO CO[C@H]1COCC[C@H]1[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000880428577 597930257 /nfs/dbraw/zinc/93/02/57/597930257.db2.gz BTSKEMLZFFAPMI-CABCVRRESA-N 1 1 337.376 1.293 20 5 EDBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880430540 597931676 /nfs/dbraw/zinc/93/16/76/597931676.db2.gz NADSDLIAEWSJTI-LSDHHAIUSA-N 1 1 337.376 1.659 20 5 EDBDMO O=[N+]([O-])c1c(Br)cc(F)cc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000882672590 598018262 /nfs/dbraw/zinc/01/82/62/598018262.db2.gz QWGONSUHMQLWSM-VIFPVBQESA-N 1 1 348.172 1.975 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000917655968 697055951 /nfs/dbraw/zinc/05/59/51/697055951.db2.gz WQHZRCBZGHWIOJ-STQMWFEESA-N 1 1 339.417 1.808 20 5 EDBDMO CCc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001031661133 697432783 /nfs/dbraw/zinc/43/27/83/697432783.db2.gz ODSHFOHZKIEPKP-IAGOWNOFSA-N 1 1 331.416 1.505 20 5 EDBDMO Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC000940107340 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CCC[N@@H+](CC)C[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000358331306 151339500 /nfs/dbraw/zinc/33/95/00/151339500.db2.gz DLFRRVOELCLBJJ-GFCCVEGCSA-N 1 1 325.413 1.726 20 5 EDBDMO Cc1cc(NC[C@@]2(O)CC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358343586 151344041 /nfs/dbraw/zinc/34/40/41/151344041.db2.gz MTJXWVBOLNGJBW-KRWDZBQOSA-N 1 1 343.387 1.261 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000360936226 152257077 /nfs/dbraw/zinc/25/70/77/152257077.db2.gz DQYUJCWLMVSNHE-GFCCVEGCSA-N 1 1 336.392 1.165 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000361069715 152294505 /nfs/dbraw/zinc/29/45/05/152294505.db2.gz TTWDAXAOAXMQCY-NEPJUHHUSA-N 1 1 333.344 1.680 20 5 EDBDMO CNc1c(C(=O)N(C)CCC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000361211183 152336427 /nfs/dbraw/zinc/33/64/27/152336427.db2.gz GBMCLIICQOLVNJ-UHFFFAOYSA-N 1 1 349.435 1.346 20 5 EDBDMO C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000361358350 152371045 /nfs/dbraw/zinc/37/10/45/152371045.db2.gz JZBLYWKSGKOXCU-RRCSTGOVSA-N 1 1 339.436 1.390 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000363930247 153099785 /nfs/dbraw/zinc/09/97/85/153099785.db2.gz QMQFBWXRXRXUGU-FZMZJTMJSA-N 1 1 325.390 1.310 20 5 EDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000364061235 153135980 /nfs/dbraw/zinc/13/59/80/153135980.db2.gz YWAZTWGBQYTNTI-CVEARBPZSA-N 1 1 332.404 1.212 20 5 EDBDMO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1CC1[N+](=O)[O-] ZINC000364197701 153170081 /nfs/dbraw/zinc/17/00/81/153170081.db2.gz VNFRHFOVQCYHGX-RDBQEKCUSA-N 1 1 325.315 1.192 20 5 EDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000364282803 153196051 /nfs/dbraw/zinc/19/60/51/153196051.db2.gz ONVRNNMEUBCPTA-OLZOCXBDSA-N 1 1 334.376 1.160 20 5 EDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000364282803 153196052 /nfs/dbraw/zinc/19/60/52/153196052.db2.gz ONVRNNMEUBCPTA-OLZOCXBDSA-N 1 1 334.376 1.160 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1 ZINC000367557725 154176076 /nfs/dbraw/zinc/17/60/76/154176076.db2.gz SSUWJUWOAKVVBG-CQSZACIVSA-N 1 1 343.387 1.675 20 5 EDBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000371705159 156070952 /nfs/dbraw/zinc/07/09/52/156070952.db2.gz AHXSJSWHHGVKQI-QRTARXTBSA-N 1 1 334.372 1.903 20 5 EDBDMO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000372353226 156348595 /nfs/dbraw/zinc/34/85/95/156348595.db2.gz DCUJGTUFRQKHCY-QLFBSQMISA-N 1 1 337.424 1.270 20 5 EDBDMO O=C1NCCCC[C@@H]1[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000377903567 158024758 /nfs/dbraw/zinc/02/47/58/158024758.db2.gz IECYJZMXPSGTSL-INIZCTEOSA-N 1 1 332.404 1.381 20 5 EDBDMO CC(C)(CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000078885188 287296158 /nfs/dbraw/zinc/29/61/58/287296158.db2.gz NFFCLMKCTVBFNG-VOTSOKGWSA-N 1 1 333.388 1.835 20 5 EDBDMO C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273058397 273026245 /nfs/dbraw/zinc/02/62/45/273026245.db2.gz WZHGYRSFPCADOY-XHDPSFHLSA-N 1 1 332.360 1.298 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273058393 273026266 /nfs/dbraw/zinc/02/62/66/273026266.db2.gz WZHGYRSFPCADOY-IAQYHMDHSA-N 1 1 332.360 1.298 20 5 EDBDMO C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000273105099 273028557 /nfs/dbraw/zinc/02/85/57/273028557.db2.gz MVRFNVMEJZBZSY-INIZCTEOSA-N 1 1 344.371 1.466 20 5 EDBDMO Cc1c(NC(=O)C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000275797525 268373687 /nfs/dbraw/zinc/37/36/87/268373687.db2.gz CLQIDFDVOWIXQZ-LBPRGKRZSA-N 1 1 334.376 1.252 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273967940 273063043 /nfs/dbraw/zinc/06/30/43/273063043.db2.gz QLSRZJKFFJVWLH-UHFFFAOYSA-N 1 1 341.383 1.706 20 5 EDBDMO C[C@H](CO)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](C)O ZINC000276136752 273151650 /nfs/dbraw/zinc/15/16/50/273151650.db2.gz BLPOCJPOEPYQAE-MNOVXSKESA-N 1 1 326.349 1.025 20 5 EDBDMO C[C@H](CO)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](C)O ZINC000276136752 273151652 /nfs/dbraw/zinc/15/16/52/273151652.db2.gz BLPOCJPOEPYQAE-MNOVXSKESA-N 1 1 326.349 1.025 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N)CCCO1 ZINC000277465709 273201350 /nfs/dbraw/zinc/20/13/50/273201350.db2.gz IDZCUQMZTWMGRH-GFCCVEGCSA-N 1 1 336.392 1.408 20 5 EDBDMO CS(=O)(=O)[C@H]1CCCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000277737185 273221079 /nfs/dbraw/zinc/22/10/79/273221079.db2.gz KNACOQLREOWKKC-HNNXBMFYSA-N 1 1 342.417 1.873 20 5 EDBDMO CS(=O)(=O)[C@H]1CCCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000277737185 273221080 /nfs/dbraw/zinc/22/10/80/273221080.db2.gz KNACOQLREOWKKC-HNNXBMFYSA-N 1 1 342.417 1.873 20 5 EDBDMO O=C([C@H]1CCC[N@H+]1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000279682868 273318128 /nfs/dbraw/zinc/31/81/28/273318128.db2.gz HKDNGNSNZKUZJJ-QGZVFWFLSA-N 1 1 344.415 1.870 20 5 EDBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000284112064 274084663 /nfs/dbraw/zinc/08/46/63/274084663.db2.gz NCODJNWQDXLJNH-UHFFFAOYSA-N 1 1 325.321 1.476 20 5 EDBDMO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000284676278 274290040 /nfs/dbraw/zinc/29/00/40/274290040.db2.gz HCGYWOKBEJOQPU-OCCSQVGLSA-N 1 1 325.321 1.787 20 5 EDBDMO C[N@H+]1CCO[C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@H]21 ZINC000284949087 274399040 /nfs/dbraw/zinc/39/90/40/274399040.db2.gz JQVLGEYHTILJGX-ZIAGYGMSSA-N 1 1 345.359 1.153 20 5 EDBDMO O=C1C[C@H]([N@H+]2CC[C@H](C3CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000378304060 275020658 /nfs/dbraw/zinc/02/06/58/275020658.db2.gz FWROXSAVEFMIDT-WFASDCNBSA-N 1 1 329.356 1.959 20 5 EDBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000151630898 277056415 /nfs/dbraw/zinc/05/64/15/277056415.db2.gz XGWQYYUSRVLGAY-CQSZACIVSA-N 1 1 336.367 1.477 20 5 EDBDMO CC[C@@H](C)[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000286724207 288070741 /nfs/dbraw/zinc/07/07/41/288070741.db2.gz BHLALFLXJZGDTA-LLVKDONJSA-N 1 1 325.365 1.635 20 5 EDBDMO COC(=O)c1cc(C)nc(NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000286758294 288079977 /nfs/dbraw/zinc/07/99/77/288079977.db2.gz SDUTWFORKNJTNL-UHFFFAOYSA-N 1 1 338.364 1.219 20 5 EDBDMO COC(=O)c1cc(C)nc(NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000286758294 288079974 /nfs/dbraw/zinc/07/99/74/288079974.db2.gz SDUTWFORKNJTNL-UHFFFAOYSA-N 1 1 338.364 1.219 20 5 EDBDMO Cc1c[nH+]cn1C1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357682396 279028812 /nfs/dbraw/zinc/02/88/12/279028812.db2.gz QYAWRNRSOBBKDX-UHFFFAOYSA-N 1 1 330.348 1.435 20 5 EDBDMO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000289494258 288713485 /nfs/dbraw/zinc/71/34/85/288713485.db2.gz SBUJLZSZLHAZHE-UHFFFAOYSA-N 1 1 341.433 1.807 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCS(=O)(=O)C(C)C ZINC000290122076 288843493 /nfs/dbraw/zinc/84/34/93/288843493.db2.gz IWMUZXVXDKVTSD-UHFFFAOYSA-N 1 1 330.406 1.906 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247669782 290240505 /nfs/dbraw/zinc/24/05/05/290240505.db2.gz ZFWHBYMYIWHWFY-WFASDCNBSA-N 1 1 339.417 1.700 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000294804072 303147387 /nfs/dbraw/zinc/14/73/87/303147387.db2.gz FITGDBIHWYBYFV-UHFFFAOYSA-N 1 1 342.371 1.108 20 5 EDBDMO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295602277 303240557 /nfs/dbraw/zinc/24/05/57/303240557.db2.gz XEGWBWUVYGDVLM-OAHLLOKOSA-N 1 1 349.431 1.835 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000377746179 447333861 /nfs/dbraw/zinc/33/38/61/447333861.db2.gz VBHQRHKBDHVSNJ-GRYCIOLGSA-N 1 1 336.396 1.268 20 5 EDBDMO COc1cc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000428799462 305017860 /nfs/dbraw/zinc/01/78/60/305017860.db2.gz DOCWZMXONYWGQH-LBPRGKRZSA-N 1 1 343.405 1.069 20 5 EDBDMO COc1cc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000428799462 305017861 /nfs/dbraw/zinc/01/78/61/305017861.db2.gz DOCWZMXONYWGQH-LBPRGKRZSA-N 1 1 343.405 1.069 20 5 EDBDMO C[C@@H]1CCCN1C(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440491699 305207942 /nfs/dbraw/zinc/20/79/42/305207942.db2.gz RQBXSVUKJPDXBY-ZIAGYGMSSA-N 1 1 347.419 1.877 20 5 EDBDMO Cc1nn(C)c(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1Br ZINC000447896647 305288021 /nfs/dbraw/zinc/28/80/21/305288021.db2.gz KHCYRFLSXLXICG-UHFFFAOYSA-N 1 1 343.185 1.386 20 5 EDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449695391 305317312 /nfs/dbraw/zinc/31/73/12/305317312.db2.gz IAHJUTXKFYMPQH-VXGBXAGGSA-N 1 1 343.387 1.933 20 5 EDBDMO CO[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000451572617 305354601 /nfs/dbraw/zinc/35/46/01/305354601.db2.gz QTCKZPAWRYLBFF-LRDDRELGSA-N 1 1 333.388 1.841 20 5 EDBDMO CO[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000451572617 305354602 /nfs/dbraw/zinc/35/46/02/305354602.db2.gz QTCKZPAWRYLBFF-LRDDRELGSA-N 1 1 333.388 1.841 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000451880341 305371599 /nfs/dbraw/zinc/37/15/99/305371599.db2.gz VRTSNJZIEPZLCR-OCCSQVGLSA-N 1 1 325.390 1.061 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000452111763 305383478 /nfs/dbraw/zinc/38/34/78/305383478.db2.gz CYRKLSQMIQRSHM-GFCCVEGCSA-N 1 1 347.375 1.143 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000452111763 305383479 /nfs/dbraw/zinc/38/34/79/305383479.db2.gz CYRKLSQMIQRSHM-GFCCVEGCSA-N 1 1 347.375 1.143 20 5 EDBDMO CNc1c(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cccc1[N+](=O)[O-] ZINC000452376046 305394815 /nfs/dbraw/zinc/39/48/15/305394815.db2.gz KEOHIPWHODDIRS-LBPRGKRZSA-N 1 1 336.392 1.213 20 5 EDBDMO COc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000452395142 305397835 /nfs/dbraw/zinc/39/78/35/305397835.db2.gz WDUHBDFPKTYRQS-CYBMUJFWSA-N 1 1 337.376 1.180 20 5 EDBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1CCOC ZINC000535757667 306016933 /nfs/dbraw/zinc/01/69/33/306016933.db2.gz AJPKIEKNDOVAOJ-ZDUSSCGKSA-N 1 1 338.408 1.506 20 5 EDBDMO NS(=O)(=O)c1cc(NC[C@H]2CC[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000555883192 306206710 /nfs/dbraw/zinc/20/67/10/306206710.db2.gz IVPUGGUZUSWPLW-SNVBAGLBSA-N 1 1 340.405 1.138 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000046034723 441071426 /nfs/dbraw/zinc/07/14/26/441071426.db2.gz BJQYZANZZVANBS-UHFFFAOYSA-N 1 1 327.406 1.667 20 5 EDBDMO CNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000012333606 441131896 /nfs/dbraw/zinc/13/18/96/441131896.db2.gz CHGAOJZUBSMVDU-UHFFFAOYSA-N 1 1 335.360 1.419 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000047719130 441222882 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1.753 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c1 ZINC000075712041 441550205 /nfs/dbraw/zinc/55/02/05/441550205.db2.gz BLXNGBJTMUJFFS-ZBFHGGJFSA-N 1 1 337.424 1.103 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2CN2CCCCC2)c1 ZINC000075712041 441550209 /nfs/dbraw/zinc/55/02/09/441550209.db2.gz BLXNGBJTMUJFFS-ZBFHGGJFSA-N 1 1 337.424 1.103 20 5 EDBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000113900844 441626370 /nfs/dbraw/zinc/62/63/70/441626370.db2.gz CPWAMNMZFCGVQO-GJZGRUSLSA-N 1 1 349.435 1.904 20 5 EDBDMO C[N@H+](CCC(=O)OC(C)(C)C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552268 441634028 /nfs/dbraw/zinc/63/40/28/441634028.db2.gz UIDURRIOSGNWLQ-UHFFFAOYSA-N 1 1 325.365 1.420 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000041668580 441667607 /nfs/dbraw/zinc/66/76/07/441667607.db2.gz FYBVTQNERMWQMW-LBPRGKRZSA-N 1 1 348.403 1.690 20 5 EDBDMO CC[NH+]1CCN(CCCCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 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C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000181291046 442688622 /nfs/dbraw/zinc/68/86/22/442688622.db2.gz OVLHYEKWUIEUCZ-JQWIXIFHSA-N 1 1 338.282 1.190 20 5 EDBDMO COc1cc(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000192821677 442689938 /nfs/dbraw/zinc/68/99/38/442689938.db2.gz ZZRMCIZZVCMHAS-VXGBXAGGSA-N 1 1 341.383 1.629 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000192844713 442692109 /nfs/dbraw/zinc/69/21/09/442692109.db2.gz GRVXMHKPQDNDMO-LLVKDONJSA-N 1 1 325.413 1.401 20 5 EDBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000181405945 442695385 /nfs/dbraw/zinc/69/53/85/442695385.db2.gz JTFWCJYGBYNMHE-OAHLLOKOSA-N 1 1 329.360 1.044 20 5 EDBDMO Cc1cc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000192917175 442697643 /nfs/dbraw/zinc/69/76/43/442697643.db2.gz OQDGWVZFXBMORF-TXEJJXNPSA-N 1 1 325.390 1.085 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CC(C)(C)O 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SLXVNXVNVRVLAW-GTBONMDNSA-N 1 1 346.431 1.608 20 5 EDBDMO CN(CC(=O)NCC[NH+]1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000266321147 443096665 /nfs/dbraw/zinc/09/66/65/443096665.db2.gz PUPXRHPVGBYGFH-UHFFFAOYSA-N 1 1 338.433 1.196 20 5 EDBDMO CC1(C)CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000212576837 443052599 /nfs/dbraw/zinc/05/25/99/443052599.db2.gz DYEIQCPLPBRDHM-UHFFFAOYSA-N 1 1 333.797 1.621 20 5 EDBDMO NC(=O)c1cc([C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000266214661 443060955 /nfs/dbraw/zinc/06/09/55/443060955.db2.gz QSWNBHSDNXYSLV-JTQLQIEISA-N 1 1 335.389 1.858 20 5 EDBDMO NC(=O)c1cc([C@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000266214661 443060958 /nfs/dbraw/zinc/06/09/58/443060958.db2.gz QSWNBHSDNXYSLV-JTQLQIEISA-N 1 1 335.389 1.858 20 5 EDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc2C1 ZINC000266507295 443150401 /nfs/dbraw/zinc/15/04/01/443150401.db2.gz CFZPCSGYZWLGSV-DOTOQJQBSA-N 1 1 330.388 1.642 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185207501 443160877 /nfs/dbraw/zinc/16/08/77/443160877.db2.gz OOWUUKZUNLNZAA-UHFFFAOYSA-N 1 1 336.392 1.839 20 5 EDBDMO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000411457247 319183161 /nfs/dbraw/zinc/18/31/61/319183161.db2.gz NFTPROFLYMRWKE-CYBMUJFWSA-N 1 1 334.420 1.846 20 5 EDBDMO COC(=O)[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411922862 319214623 /nfs/dbraw/zinc/21/46/23/319214623.db2.gz VJCJHLQGYZEEMI-LLVKDONJSA-N 1 1 341.795 1.785 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413917585 319302549 /nfs/dbraw/zinc/30/25/49/319302549.db2.gz KDQHUHVHKYYOOO-CYBMUJFWSA-N 1 1 335.360 1.080 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413917585 319302550 /nfs/dbraw/zinc/30/25/50/319302550.db2.gz KDQHUHVHKYYOOO-CYBMUJFWSA-N 1 1 335.360 1.080 20 5 EDBDMO CC[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000264318580 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ZINC000340847551 444540867 /nfs/dbraw/zinc/54/08/67/444540867.db2.gz FUHHHGJDVJAKPW-LLVKDONJSA-N 1 1 340.343 2.516 20 5 EDBDMO COc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000341016047 444632975 /nfs/dbraw/zinc/63/29/75/444632975.db2.gz LGUJILNZNHIKTM-KGLIPLIRSA-N 1 1 348.403 1.982 20 5 EDBDMO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000342355614 444650757 /nfs/dbraw/zinc/65/07/57/444650757.db2.gz OYOHNJIZWVTEHM-INIZCTEOSA-N 1 1 330.344 1.838 20 5 EDBDMO O=C1C[C@]2(CN1)CCC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000342355614 444650758 /nfs/dbraw/zinc/65/07/58/444650758.db2.gz OYOHNJIZWVTEHM-INIZCTEOSA-N 1 1 330.344 1.838 20 5 EDBDMO CNC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000342365792 444658424 /nfs/dbraw/zinc/65/84/24/444658424.db2.gz VQUNLWCYXKRHAZ-GFCCVEGCSA-N 1 1 349.391 1.235 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000343887083 444647366 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NC(=O)c1ccc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000451894957 447776120 /nfs/dbraw/zinc/77/61/20/447776120.db2.gz SMUTZXIWAYXQAG-JQWIXIFHSA-N 1 1 347.293 1.439 20 5 EDBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000523324262 447878580 /nfs/dbraw/zinc/87/85/80/447878580.db2.gz RGNIFWCWUUOMON-UHFFFAOYSA-N 1 1 336.392 1.089 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000526920547 448117762 /nfs/dbraw/zinc/11/77/62/448117762.db2.gz DDOQLAHVODCHRP-JTQLQIEISA-N 1 1 338.339 1.130 20 5 EDBDMO O=C1C[C@@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000532049112 448189213 /nfs/dbraw/zinc/18/92/13/448189213.db2.gz WJFGJLZDWIMXJI-TYNCELHUSA-N 1 1 329.356 1.959 20 5 EDBDMO Nc1nccc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000563638826 448309770 /nfs/dbraw/zinc/30/97/70/448309770.db2.gz ULCPMQVSHJFWIW-CYBMUJFWSA-N 1 1 347.419 2.099 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000591529877 448383280 /nfs/dbraw/zinc/38/32/80/448383280.db2.gz MPNYFSWBDHWOHK-UHFFFAOYSA-N 1 1 335.404 1.740 20 5 EDBDMO Cn1c2cc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587309726 448837244 /nfs/dbraw/zinc/83/72/44/448837244.db2.gz NNJNKAAKTZQJES-NEPJUHHUSA-N 1 1 345.403 1.824 20 5 EDBDMO Cc1c(CC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588861935 448941627 /nfs/dbraw/zinc/94/16/27/448941627.db2.gz ZKYNVBGRVHWZMI-HUUCEWRRSA-N 1 1 333.388 1.113 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000589393168 449011811 /nfs/dbraw/zinc/01/18/11/449011811.db2.gz XCGOSFSWADBNNQ-GFCCVEGCSA-N 1 1 334.376 1.306 20 5 EDBDMO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 ZINC000592898299 449042473 /nfs/dbraw/zinc/04/24/73/449042473.db2.gz FEIDROYVALXWJE-UHFFFAOYSA-N 1 1 335.360 1.237 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000589930479 449084965 /nfs/dbraw/zinc/08/49/65/449084965.db2.gz YCIPFMGRPDYPTR-GXTWGEPZSA-N 1 1 339.417 1.482 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593088451 449128842 /nfs/dbraw/zinc/12/88/42/449128842.db2.gz DMYNKJOVBCPXAM-UKRRQHHQSA-N 1 1 336.388 1.978 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593088451 449128846 /nfs/dbraw/zinc/12/88/46/449128846.db2.gz DMYNKJOVBCPXAM-UKRRQHHQSA-N 1 1 336.388 1.978 20 5 EDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593583154 449089503 /nfs/dbraw/zinc/08/95/03/449089503.db2.gz ZLPZJXRJFDJNFM-VXGBXAGGSA-N 1 1 342.421 1.389 20 5 EDBDMO C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000590165450 449114030 /nfs/dbraw/zinc/11/40/30/449114030.db2.gz UPOUZTKNKNOQEC-ZDUSSCGKSA-N 1 1 345.446 1.763 20 5 EDBDMO C[C@@H]1COC2(CCC2)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595675577 449114054 /nfs/dbraw/zinc/11/40/54/449114054.db2.gz OZSXDNKDXFPFJT-UKRRQHHQSA-N 1 1 336.388 1.978 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590281839 449124770 /nfs/dbraw/zinc/12/47/70/449124770.db2.gz SEDABKKRSXXLOV-WFASDCNBSA-N 1 1 346.387 1.258 20 5 EDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595766151 449155415 /nfs/dbraw/zinc/15/54/15/449155415.db2.gz MKUBLYYFFFLPKG-DGCLKSJQSA-N 1 1 335.360 1.738 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@H]1C ZINC000611087435 449164501 /nfs/dbraw/zinc/16/45/01/449164501.db2.gz GSNJFJGKTVZNRP-GFCCVEGCSA-N 1 1 344.375 1.342 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@H]1C ZINC000611087435 449164508 /nfs/dbraw/zinc/16/45/08/449164508.db2.gz GSNJFJGKTVZNRP-GFCCVEGCSA-N 1 1 344.375 1.342 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)[C@H]2C1 ZINC000590442966 449164749 /nfs/dbraw/zinc/16/47/49/449164749.db2.gz CHIMCFXHTSTXJA-WBMJQRKESA-N 1 1 341.371 1.557 20 5 EDBDMO CC[N@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000611091819 449166253 /nfs/dbraw/zinc/16/62/53/449166253.db2.gz UNFLBJIKGLWUPU-CYBMUJFWSA-N 1 1 332.404 1.510 20 5 EDBDMO COCCOCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000593116359 449142309 /nfs/dbraw/zinc/14/23/09/449142309.db2.gz LAODXQLGKIJOHK-UHFFFAOYSA-N 1 1 341.383 1.515 20 5 EDBDMO O=C1[C@@H]([N@H+]2CCC[C@](O)(C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595750836 449147597 /nfs/dbraw/zinc/14/75/97/449147597.db2.gz OFMREIBPRLQVGW-FUHWJXTLSA-N 1 1 345.399 1.937 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000600105264 449191057 /nfs/dbraw/zinc/19/10/57/449191057.db2.gz JAAYSAQRAQBSKM-UHFFFAOYSA-N 1 1 334.376 1.235 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595829392 449193123 /nfs/dbraw/zinc/19/31/23/449193123.db2.gz HNDBWBORSIVVJZ-RYUDHWBXSA-N 1 1 335.360 1.510 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595829392 449193132 /nfs/dbraw/zinc/19/31/32/449193132.db2.gz HNDBWBORSIVVJZ-RYUDHWBXSA-N 1 1 335.360 1.510 20 5 EDBDMO CSc1ccc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593856003 449240727 /nfs/dbraw/zinc/24/07/27/449240727.db2.gz UAKPWCHPNZXONM-GFCCVEGCSA-N 1 1 337.401 1.208 20 5 EDBDMO CSc1ccc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593856003 449240731 /nfs/dbraw/zinc/24/07/31/449240731.db2.gz UAKPWCHPNZXONM-GFCCVEGCSA-N 1 1 337.401 1.208 20 5 EDBDMO C[C@@](O)(C[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000601952855 449241857 /nfs/dbraw/zinc/24/18/57/449241857.db2.gz JPUSNGRQFPLATF-MAUKXSAKSA-N 1 1 349.431 1.629 20 5 EDBDMO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000593381976 449253187 /nfs/dbraw/zinc/25/31/87/449253187.db2.gz FUZUKLIFRVDLNE-UHFFFAOYSA-N 1 1 343.387 1.536 20 5 EDBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600230036 449256404 /nfs/dbraw/zinc/25/64/04/449256404.db2.gz OTQBALWGLNURRR-CQSZACIVSA-N 1 1 348.403 1.280 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593450513 449290282 /nfs/dbraw/zinc/29/02/82/449290282.db2.gz NIWWLKRXFNTLHW-CQSZACIVSA-N 1 1 339.367 1.503 20 5 EDBDMO Cc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000593505452 449313768 /nfs/dbraw/zinc/31/37/68/449313768.db2.gz WAHLNICBHWZGTE-CYBMUJFWSA-N 1 1 328.372 1.707 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000594016646 449323770 /nfs/dbraw/zinc/32/37/70/449323770.db2.gz BIOIRQUFSROTGK-GFCCVEGCSA-N 1 1 337.376 1.779 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CCCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000594016646 449323776 /nfs/dbraw/zinc/32/37/76/449323776.db2.gz BIOIRQUFSROTGK-GFCCVEGCSA-N 1 1 337.376 1.779 20 5 EDBDMO C[C@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000611407544 449282936 /nfs/dbraw/zinc/28/29/36/449282936.db2.gz CBLHKSHHVDBFJX-LRDDRELGSA-N 1 1 333.388 1.883 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+](C[C@@H](C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000594065504 449344896 /nfs/dbraw/zinc/34/48/96/449344896.db2.gz RDWCPFIOSXDZPY-LLVKDONJSA-N 1 1 337.376 1.777 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+](C[C@@H](C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000594065504 449344899 /nfs/dbraw/zinc/34/48/99/449344899.db2.gz RDWCPFIOSXDZPY-LLVKDONJSA-N 1 1 337.376 1.777 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596091677 449358213 /nfs/dbraw/zinc/35/82/13/449358213.db2.gz CCUQFAKMMCMJCY-LLVKDONJSA-N 1 1 342.421 1.384 20 5 EDBDMO Cc1sc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000598455056 449404476 /nfs/dbraw/zinc/40/44/76/449404476.db2.gz ZLLBYRXGIOLUHQ-GFCCVEGCSA-N 1 1 339.417 1.636 20 5 EDBDMO C[C@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600533416 449428476 /nfs/dbraw/zinc/42/84/76/449428476.db2.gz KOTJJZVHZRTRIS-CMPLNLGQSA-N 1 1 325.340 1.020 20 5 EDBDMO CNc1nccc(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598559786 449466438 /nfs/dbraw/zinc/46/64/38/449466438.db2.gz ZLOATONSQWFYFT-CYBMUJFWSA-N 1 1 347.419 1.883 20 5 EDBDMO COc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000596539738 449545795 /nfs/dbraw/zinc/54/57/95/449545795.db2.gz QFYBLDCIMBSRPX-LBPRGKRZSA-N 1 1 339.367 1.778 20 5 EDBDMO CC1(C)CC[C@@H](CO)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000598648640 449518017 /nfs/dbraw/zinc/51/80/17/449518017.db2.gz QTEFVSQJICIEJZ-HNNXBMFYSA-N 1 1 347.415 1.967 20 5 EDBDMO CC1(C)CC[C@@H](CO)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000598648640 449518023 /nfs/dbraw/zinc/51/80/23/449518023.db2.gz QTEFVSQJICIEJZ-HNNXBMFYSA-N 1 1 347.415 1.967 20 5 EDBDMO Cn1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c([N+](=O)[O-])n1 ZINC000602436275 449584971 /nfs/dbraw/zinc/58/49/71/449584971.db2.gz MQSFNHDZUPKPDG-UHFFFAOYSA-N 1 1 341.375 1.751 20 5 EDBDMO O=[N+]([O-])c1sc(C[NH2+][C@@]2(CO)CCOC2)cc1Br ZINC000602612050 449704461 /nfs/dbraw/zinc/70/44/61/449704461.db2.gz FUOYUBZVKVOREX-SNVBAGLBSA-N 1 1 337.195 1.660 20 5 EDBDMO COCCN1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000601152496 449720268 /nfs/dbraw/zinc/72/02/68/449720268.db2.gz FCFVGQYGGMWTRH-UHFFFAOYSA-N 1 1 344.371 1.828 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000599085964 449724194 /nfs/dbraw/zinc/72/41/94/449724194.db2.gz GHYNLMKBXIJPHC-NSHDSACASA-N 1 1 342.421 1.044 20 5 EDBDMO CN(C)C(=O)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601104079 449692608 /nfs/dbraw/zinc/69/26/08/449692608.db2.gz OKBGLDLCTKSXFL-UHFFFAOYSA-N 1 1 329.360 1.947 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000601256219 449779362 /nfs/dbraw/zinc/77/93/62/449779362.db2.gz MMVYZQMAOBFRJI-NWDGAFQWSA-N 1 1 339.367 1.651 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000601256219 449779365 /nfs/dbraw/zinc/77/93/65/449779365.db2.gz MMVYZQMAOBFRJI-NWDGAFQWSA-N 1 1 339.367 1.651 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000612625227 449806131 /nfs/dbraw/zinc/80/61/31/449806131.db2.gz VSZCLKIYVLFUDH-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000612625227 449806141 /nfs/dbraw/zinc/80/61/41/449806141.db2.gz VSZCLKIYVLFUDH-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601314100 449823209 /nfs/dbraw/zinc/82/32/09/449823209.db2.gz YRZKOTBXRMOJDE-JTQLQIEISA-N 1 1 333.435 1.727 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000595074709 449855336 /nfs/dbraw/zinc/85/53/36/449855336.db2.gz UKWAIXHTQBVHJC-CYBMUJFWSA-N 1 1 348.403 1.831 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+](C)CC2CN(C)C2)cc1[N+](=O)[O-] ZINC000597204683 449869370 /nfs/dbraw/zinc/86/93/70/449869370.db2.gz DCXYTRFQFKMZAC-UHFFFAOYSA-N 1 1 337.376 1.140 20 5 EDBDMO COC(=O)COc1ccc(CN(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000597204683 449869376 /nfs/dbraw/zinc/86/93/76/449869376.db2.gz DCXYTRFQFKMZAC-UHFFFAOYSA-N 1 1 337.376 1.140 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000595045016 449848604 /nfs/dbraw/zinc/84/86/04/449848604.db2.gz AZHMKALQYCGPOE-SNVBAGLBSA-N 1 1 328.390 1.831 20 5 EDBDMO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000595353655 450067072 /nfs/dbraw/zinc/06/70/72/450067072.db2.gz JEIUWRVTMIJZMN-SNVBAGLBSA-N 1 1 333.435 1.727 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000595353655 450067075 /nfs/dbraw/zinc/06/70/75/450067075.db2.gz JEIUWRVTMIJZMN-SNVBAGLBSA-N 1 1 333.435 1.727 20 5 EDBDMO CC(=O)NCC(=O)N1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000599619073 450108287 /nfs/dbraw/zinc/10/82/87/450108287.db2.gz SVQSBXWKGPWUKT-CYBMUJFWSA-N 1 1 348.403 1.326 20 5 EDBDMO CC(=O)NCC(=O)N1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000599619073 450108290 /nfs/dbraw/zinc/10/82/90/450108290.db2.gz SVQSBXWKGPWUKT-CYBMUJFWSA-N 1 1 348.403 1.326 20 5 EDBDMO C[C@@H]1C[N@H+](C)CCN1c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000615494278 450114844 /nfs/dbraw/zinc/11/48/44/450114844.db2.gz MZIFJXKAARPLEF-CYBMUJFWSA-N 1 1 348.403 1.208 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000615494278 450114851 /nfs/dbraw/zinc/11/48/51/450114851.db2.gz MZIFJXKAARPLEF-CYBMUJFWSA-N 1 1 348.403 1.208 20 5 EDBDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000609991319 450123097 /nfs/dbraw/zinc/12/30/97/450123097.db2.gz AZFYDKOVLBSARH-TZMCWYRMSA-N 1 1 333.392 1.487 20 5 EDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595505826 450193130 /nfs/dbraw/zinc/19/31/30/450193130.db2.gz ZCWSWESBCYZBMK-QAPCUYQASA-N 1 1 349.431 1.752 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000613704934 450272394 /nfs/dbraw/zinc/27/23/94/450272394.db2.gz YKXJCJGBYZYHIU-ZDUSSCGKSA-N 1 1 344.419 1.976 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000610500502 450246367 /nfs/dbraw/zinc/24/63/67/450246367.db2.gz LVMGDRIQZCLJTJ-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000610500502 450246369 /nfs/dbraw/zinc/24/63/69/450246369.db2.gz LVMGDRIQZCLJTJ-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nnnn2C2CC2)n1 ZINC000618571850 450249103 /nfs/dbraw/zinc/24/91/03/450249103.db2.gz COCDUXVKCUHZKL-NWDGAFQWSA-N 1 1 332.368 1.386 20 5 EDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603499234 450314560 /nfs/dbraw/zinc/31/45/60/450314560.db2.gz PPXKDCYKRREJAK-AWEZNQCLSA-N 1 1 349.387 1.297 20 5 EDBDMO C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000610899502 450373869 /nfs/dbraw/zinc/37/38/69/450373869.db2.gz JZCBUJOZYNRVMQ-YWPYICTPSA-N 1 1 336.392 1.674 20 5 EDBDMO C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000610899502 450373873 /nfs/dbraw/zinc/37/38/73/450373873.db2.gz JZCBUJOZYNRVMQ-YWPYICTPSA-N 1 1 336.392 1.674 20 5 EDBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H]1C[N@H+](C)CCO1 ZINC000154804836 534031149 /nfs/dbraw/zinc/03/11/49/534031149.db2.gz XOZRFWBHXVCZCV-GZMMTYOYSA-N 1 1 345.197 1.883 20 5 EDBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H]1C[N@@H+](C)CCO1 ZINC000154804836 534031154 /nfs/dbraw/zinc/03/11/54/534031154.db2.gz XOZRFWBHXVCZCV-GZMMTYOYSA-N 1 1 345.197 1.883 20 5 EDBDMO CC(C)(O)C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000180225815 527341824 /nfs/dbraw/zinc/34/18/24/527341824.db2.gz GEMJTBJPXGSQEP-INIZCTEOSA-N 1 1 348.403 1.425 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183977351 528535097 /nfs/dbraw/zinc/53/50/97/528535097.db2.gz LJQLFIZVOZOPCD-UHFFFAOYSA-N 1 1 329.784 1.221 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000270269044 536000334 /nfs/dbraw/zinc/00/03/34/536000334.db2.gz UFMAQRHFZGVDFF-LBPRGKRZSA-N 1 1 335.408 1.684 20 5 EDBDMO Cc1ccc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000742397280 579450932 /nfs/dbraw/zinc/45/09/32/579450932.db2.gz OOFBRYDIXCRUKD-UHFFFAOYSA-N 1 1 336.373 1.689 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000742404948 579451162 /nfs/dbraw/zinc/45/11/62/579451162.db2.gz NSCLATYYUZCKAZ-LBPRGKRZSA-N 1 1 336.392 1.111 20 5 EDBDMO COCC[N@@H+]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000735241402 578871163 /nfs/dbraw/zinc/87/11/63/578871163.db2.gz INRORJPMDOVGTH-LBPRGKRZSA-N 1 1 338.433 1.944 20 5 EDBDMO COCC[N@H+]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000735241402 578871164 /nfs/dbraw/zinc/87/11/64/578871164.db2.gz INRORJPMDOVGTH-LBPRGKRZSA-N 1 1 338.433 1.944 20 5 EDBDMO C[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000737460355 579094150 /nfs/dbraw/zinc/09/41/50/579094150.db2.gz SKURGSVKFQQKQY-GFCCVEGCSA-N 1 1 338.433 1.850 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000748844843 579703703 /nfs/dbraw/zinc/70/37/03/579703703.db2.gz ZBNMRWRTFQFOCQ-LBPRGKRZSA-N 1 1 339.367 1.959 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCSCC1 ZINC000753959777 579892384 /nfs/dbraw/zinc/89/23/84/579892384.db2.gz JSHUSMQQWOBWOT-UHFFFAOYSA-N 1 1 326.374 1.809 20 5 EDBDMO O=[N+]([O-])c1ccc(Br)cc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000754083230 579895921 /nfs/dbraw/zinc/89/59/21/579895921.db2.gz WKAVDVFXRVBAEI-LLVKDONJSA-N 1 1 342.193 1.878 20 5 EDBDMO O=[N+]([O-])c1ccc(Br)cc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000754083230 579895922 /nfs/dbraw/zinc/89/59/22/579895922.db2.gz WKAVDVFXRVBAEI-LLVKDONJSA-N 1 1 342.193 1.878 20 5 EDBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)N1CC[NH+](C)CC1)CC2 ZINC000755848176 579936474 /nfs/dbraw/zinc/93/64/74/579936474.db2.gz KYYKHNLOBIVZOT-CYBMUJFWSA-N 1 1 332.404 1.428 20 5 EDBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000758773449 579991511 /nfs/dbraw/zinc/99/15/11/579991511.db2.gz YSQJSUUAOFRQRC-JKSUJKDBSA-N 1 1 348.403 1.300 20 5 EDBDMO C[N@H+]1CC[C@](O)(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000762817081 580084457 /nfs/dbraw/zinc/08/44/57/580084457.db2.gz BHTNLCWHPHXQTP-ZDUSSCGKSA-N 1 1 328.756 1.436 20 5 EDBDMO COCC[N@H+]1CCCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000771085076 580279648 /nfs/dbraw/zinc/27/96/48/580279648.db2.gz DJYFEGZPABUGKI-UHFFFAOYSA-N 1 1 327.356 1.901 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C)c1C ZINC000780868256 580536155 /nfs/dbraw/zinc/53/61/55/580536155.db2.gz RSARVJGQUBLOEI-GFCCVEGCSA-N 1 1 341.433 1.974 20 5 EDBDMO C/C(=C\C(=O)NCC[N@H+]1CCCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000783850959 580607531 /nfs/dbraw/zinc/60/75/31/580607531.db2.gz PBOOXANETXTAQB-BUHFOSPRSA-N 1 1 333.388 1.837 20 5 EDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000783918275 580608364 /nfs/dbraw/zinc/60/83/64/580608364.db2.gz QJZZALFSBYVPFS-LLVKDONJSA-N 1 1 335.360 1.580 20 5 EDBDMO Cc1c(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000790293232 580766187 /nfs/dbraw/zinc/76/61/87/580766187.db2.gz VJKXCXAVVLBRSJ-CABCVRRESA-N 1 1 348.403 1.566 20 5 EDBDMO CO[C@H]1C[C@@H]([N@H+](C)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000795671804 580933601 /nfs/dbraw/zinc/93/36/01/580933601.db2.gz MWWQDAMCBHSVTL-OKILXGFUSA-N 1 1 348.359 1.430 20 5 EDBDMO CO[C@H]1C[C@@H]([N@@H+](C)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000795671804 580933602 /nfs/dbraw/zinc/93/36/02/580933602.db2.gz MWWQDAMCBHSVTL-OKILXGFUSA-N 1 1 348.359 1.430 20 5 EDBDMO C[N@H+]1CCN(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1(C)C ZINC000799744877 581035890 /nfs/dbraw/zinc/03/58/90/581035890.db2.gz SBOWHKLBKALHBA-UHFFFAOYSA-N 1 1 338.383 1.490 20 5 EDBDMO COc1c(O)ccc(C[N@H+](C)CCN2CCOCC2)c1[N+](=O)[O-] ZINC000891905633 590680832 /nfs/dbraw/zinc/68/08/32/590680832.db2.gz CHYKEYSBGZYGRE-UHFFFAOYSA-N 1 1 325.365 1.073 20 5 EDBDMO COc1c(O)ccc(C[N@@H+](C)CCN2CCOCC2)c1[N+](=O)[O-] ZINC000891905633 590680834 /nfs/dbraw/zinc/68/08/34/590680834.db2.gz CHYKEYSBGZYGRE-UHFFFAOYSA-N 1 1 325.365 1.073 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2CC)cc1OC ZINC000893872443 591124128 /nfs/dbraw/zinc/12/41/28/591124128.db2.gz SVLUAZWMUGUCNA-NSHDSACASA-N 1 1 337.376 1.826 20 5 EDBDMO C[N@@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000893938168 591142959 /nfs/dbraw/zinc/14/29/59/591142959.db2.gz BTBACKKZZHRLGR-LDYMZIIASA-N 1 1 327.182 1.893 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000893938168 591142962 /nfs/dbraw/zinc/14/29/62/591142962.db2.gz BTBACKKZZHRLGR-LDYMZIIASA-N 1 1 327.182 1.893 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CC[N@@H+](C)CCO ZINC000894590369 591350608 /nfs/dbraw/zinc/35/06/08/591350608.db2.gz FNMYQEVUCILWOW-UHFFFAOYSA-N 1 1 345.783 1.395 20 5 EDBDMO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896536070 591500912 /nfs/dbraw/zinc/50/09/12/591500912.db2.gz UXVFHBKPZHQWDZ-SJWGOKEGSA-N 1 1 346.431 1.449 20 5 EDBDMO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896561407 591514233 /nfs/dbraw/zinc/51/42/33/591514233.db2.gz AHGNCZWJDXXGJH-YGRLFVJLSA-N 1 1 340.811 1.612 20 5 EDBDMO C[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)[C@@H]1C[N@@H+](C)CCN1C ZINC000895248368 591677888 /nfs/dbraw/zinc/67/78/88/591677888.db2.gz KQDKJWGNNFIYIL-BMIGLBTASA-N 1 1 326.372 1.272 20 5 EDBDMO C[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895248368 591677891 /nfs/dbraw/zinc/67/78/91/591677891.db2.gz KQDKJWGNNFIYIL-BMIGLBTASA-N 1 1 326.372 1.272 20 5 EDBDMO C[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)[C@@H]1CN(C)CC[N@H+]1C ZINC000895248368 591677892 /nfs/dbraw/zinc/67/78/92/591677892.db2.gz KQDKJWGNNFIYIL-BMIGLBTASA-N 1 1 326.372 1.272 20 5 EDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000898038126 591764846 /nfs/dbraw/zinc/76/48/46/591764846.db2.gz GSGXPIWTRWVKHA-GFCCVEGCSA-N 1 1 349.387 1.970 20 5 EDBDMO CN1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)CC1 ZINC000899652910 591886045 /nfs/dbraw/zinc/88/60/45/591886045.db2.gz HNABAVXLPQIDPV-UHFFFAOYSA-N 1 1 337.449 1.471 20 5 EDBDMO Cc1ccc([C@H](C)NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000900966930 592187433 /nfs/dbraw/zinc/18/74/33/592187433.db2.gz IPDGNPIXAIDAOD-GUYCJALGSA-N 1 1 335.404 1.927 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)(C)CO)CC2)c1C ZINC000901229485 592293115 /nfs/dbraw/zinc/29/31/15/592293115.db2.gz SVWWRSKETDTTJU-UHFFFAOYSA-N 1 1 335.404 1.740 20 5 EDBDMO CC[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000906916213 592424557 /nfs/dbraw/zinc/42/45/57/592424557.db2.gz WZCCWSWEOHJOAG-MRXNPFEDSA-N 1 1 334.420 1.656 20 5 EDBDMO Cc1nn(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000782900093 593129848 /nfs/dbraw/zinc/12/98/48/593129848.db2.gz XCFKGGUQBRMJHO-LBPRGKRZSA-N 1 1 337.424 1.551 20 5 EDBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000783878891 593136938 /nfs/dbraw/zinc/13/69/38/593136938.db2.gz RBQPWVBBPXREMT-ZDUSSCGKSA-N 1 1 349.387 1.233 20 5 EDBDMO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000802134291 593221716 /nfs/dbraw/zinc/22/17/16/593221716.db2.gz FPCLZIKVYWNKGA-CQSZACIVSA-N 1 1 326.324 2.000 20 5 EDBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000802134291 593221717 /nfs/dbraw/zinc/22/17/17/593221717.db2.gz FPCLZIKVYWNKGA-CQSZACIVSA-N 1 1 326.324 2.000 20 5 EDBDMO CN(CC(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000838905635 593229632 /nfs/dbraw/zinc/22/96/32/593229632.db2.gz FKRKOQJMWMRBHL-OKILXGFUSA-N 1 1 349.387 1.437 20 5 EDBDMO O=C1[C@@H]2CCC[C@H]2CN1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000840057629 593434022 /nfs/dbraw/zinc/43/40/22/593434022.db2.gz BHOBQCALAJGEKD-GXTWGEPZSA-N 1 1 333.392 1.644 20 5 EDBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCNC(=O)C1 ZINC000813171862 593521481 /nfs/dbraw/zinc/52/14/81/593521481.db2.gz VYXYAKNXXLQVDH-ZFWWWQNUSA-N 1 1 347.371 1.239 20 5 EDBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCNC(=O)C1 ZINC000813171862 593521482 /nfs/dbraw/zinc/52/14/82/593521482.db2.gz VYXYAKNXXLQVDH-ZFWWWQNUSA-N 1 1 347.371 1.239 20 5 EDBDMO COCCCN1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819006736 593733751 /nfs/dbraw/zinc/73/37/51/593733751.db2.gz JVJJBBUZDUCIML-KRWDZBQOSA-N 1 1 337.420 1.719 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927473 593889430 /nfs/dbraw/zinc/88/94/30/593889430.db2.gz YVEVKJQKOHBZAX-WDEREUQCSA-N 1 1 337.380 1.096 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823986598 593902103 /nfs/dbraw/zinc/90/21/03/593902103.db2.gz KFUSYLAXSUWWEG-UHFFFAOYSA-N 1 1 325.369 1.267 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000828686846 594480271 /nfs/dbraw/zinc/48/02/71/594480271.db2.gz VPNXVXFQCPENRB-UHFFFAOYSA-N 1 1 345.346 1.880 20 5 EDBDMO O=C(CC[N@@H+]1CC[C@](O)(C(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000831181246 594576592 /nfs/dbraw/zinc/57/65/92/594576592.db2.gz IHJOZSQGCQVDHR-CQSZACIVSA-N 1 1 347.293 1.764 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000831272140 594596533 /nfs/dbraw/zinc/59/65/33/594596533.db2.gz RHCFLBKSFDKOTN-UHFFFAOYSA-N 1 1 339.367 1.653 20 5 EDBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000832635088 594765730 /nfs/dbraw/zinc/76/57/30/594765730.db2.gz RDNHGZWQJBQXIG-LLVKDONJSA-N 1 1 339.367 1.651 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000832635088 594765731 /nfs/dbraw/zinc/76/57/31/594765731.db2.gz RDNHGZWQJBQXIG-LLVKDONJSA-N 1 1 339.367 1.651 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000842047211 595009851 /nfs/dbraw/zinc/00/98/51/595009851.db2.gz MMPLCWPXMODXFI-VXGBXAGGSA-N 1 1 348.403 1.371 20 5 EDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306675 595357681 /nfs/dbraw/zinc/35/76/81/595357681.db2.gz XGXRDSSHXNCRPD-VGQMVEDTSA-N 1 1 331.372 1.276 20 5 EDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000849447743 595529753 /nfs/dbraw/zinc/52/97/53/595529753.db2.gz UTEGEMDKXJEUHM-UHFFFAOYSA-N 1 1 347.824 1.739 20 5 EDBDMO CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000855363742 595686784 /nfs/dbraw/zinc/68/67/84/595686784.db2.gz WHBWMSOXSILTAC-LLVKDONJSA-N 1 1 325.340 1.665 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000853559844 595804338 /nfs/dbraw/zinc/80/43/38/595804338.db2.gz VHKUPWQLZZQYPD-DOMZBBRYSA-N 1 1 343.387 1.811 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@@H+]1CCO ZINC000860993113 595857936 /nfs/dbraw/zinc/85/79/36/595857936.db2.gz CTELTMZVVSRSDS-CYBMUJFWSA-N 1 1 343.383 1.887 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@H+]1CCO ZINC000860993113 595857938 /nfs/dbraw/zinc/85/79/38/595857938.db2.gz CTELTMZVVSRSDS-CYBMUJFWSA-N 1 1 343.383 1.887 20 5 EDBDMO CC[C@@H]([NH2+]C)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000854153482 595992384 /nfs/dbraw/zinc/99/23/84/595992384.db2.gz QYKBBYYEJJHKHO-GFCCVEGCSA-N 1 1 333.348 1.507 20 5 EDBDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852696544 596229306 /nfs/dbraw/zinc/22/93/06/596229306.db2.gz CJFPIVVVEPNIJE-HOCLYGCPSA-N 1 1 335.404 1.865 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000852707748 596230858 /nfs/dbraw/zinc/23/08/58/596230858.db2.gz KDYTWJUDROWJJY-IAGOWNOFSA-N 1 1 335.404 1.159 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000866753883 596322620 /nfs/dbraw/zinc/32/26/20/596322620.db2.gz GVVOQGSTTBALQE-NSHDSACASA-N 1 1 345.396 1.662 20 5 EDBDMO C[C@@H]1C[C@@H](N(C)C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000867947052 596629508 /nfs/dbraw/zinc/62/95/08/596629508.db2.gz YAERLDNEXKUQAQ-IFIJOSMWSA-N 1 1 334.420 1.710 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119891114 596779619 /nfs/dbraw/zinc/77/96/19/596779619.db2.gz KNUMJJSKLSLZTC-JTQLQIEISA-N 1 1 333.435 1.619 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872666756 597022728 /nfs/dbraw/zinc/02/27/28/597022728.db2.gz ZVMMKRBBXBVRNK-UONOGXRCSA-N 1 1 339.417 1.760 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872666756 597022731 /nfs/dbraw/zinc/02/27/31/597022731.db2.gz ZVMMKRBBXBVRNK-UONOGXRCSA-N 1 1 339.417 1.760 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000872726095 597047871 /nfs/dbraw/zinc/04/78/71/597047871.db2.gz LINYZOAKGKTIPC-WCQYABFASA-N 1 1 332.360 1.486 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC000874840569 597193627 /nfs/dbraw/zinc/19/36/27/597193627.db2.gz PJBCKTPXTYHYNM-UONOGXRCSA-N 1 1 335.408 1.493 20 5 EDBDMO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 ZINC000877714207 597550140 /nfs/dbraw/zinc/55/01/40/597550140.db2.gz KYLNRINRTZFWEM-INIZCTEOSA-N 1 1 333.344 1.797 20 5 EDBDMO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 ZINC000877714207 597550141 /nfs/dbraw/zinc/55/01/41/597550141.db2.gz KYLNRINRTZFWEM-INIZCTEOSA-N 1 1 333.344 1.797 20 5 EDBDMO COc1ccc([C@H]2C[N@H+](CCn3c(C)ncc3[N+](=O)[O-])CCN2)cc1 ZINC000879523196 597616836 /nfs/dbraw/zinc/61/68/36/597616836.db2.gz VHFVATMIUBINKS-MRXNPFEDSA-N 1 1 345.403 1.755 20 5 EDBDMO COc1ccc([C@H]2C[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])CCN2)cc1 ZINC000879523196 597616838 /nfs/dbraw/zinc/61/68/38/597616838.db2.gz VHFVATMIUBINKS-MRXNPFEDSA-N 1 1 345.403 1.755 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879577196 597639850 /nfs/dbraw/zinc/63/98/50/597639850.db2.gz VZHJXMARKNFOKT-IOASZLSFSA-N 1 1 332.404 1.948 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879577195 597639942 /nfs/dbraw/zinc/63/99/42/597639942.db2.gz VZHJXMARKNFOKT-DVOMOZLQSA-N 1 1 332.404 1.948 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C[C@@H]1C ZINC000879286983 597876348 /nfs/dbraw/zinc/87/63/48/597876348.db2.gz IVESTSNJKXBKKJ-LBPRGKRZSA-N 1 1 349.387 1.922 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C[C@@H]1C ZINC000879286983 597876351 /nfs/dbraw/zinc/87/63/51/597876351.db2.gz IVESTSNJKXBKKJ-LBPRGKRZSA-N 1 1 349.387 1.922 20 5 EDBDMO COc1cc(C[N@@H+](C)[C@H]2CCOC[C@H]2OC)c([N+](=O)[O-])cc1F ZINC000880433393 597933207 /nfs/dbraw/zinc/93/32/07/597933207.db2.gz WLDQBKHSRLJEGF-SWLSCSKDSA-N 1 1 328.340 1.978 20 5 EDBDMO COc1cc(C[N@H+](C)[C@H]2CCOC[C@H]2OC)c([N+](=O)[O-])cc1F ZINC000880433393 597933208 /nfs/dbraw/zinc/93/32/08/597933208.db2.gz WLDQBKHSRLJEGF-SWLSCSKDSA-N 1 1 328.340 1.978 20 5 EDBDMO CCn1cc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC001031587710 697283548 /nfs/dbraw/zinc/28/35/48/697283548.db2.gz PWDCUOXWAALALP-UHFFFAOYSA-N 1 1 343.387 1.673 20 5 EDBDMO O=C(NCC1C[NH+](CCCc2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662541 697439604 /nfs/dbraw/zinc/43/96/04/697439604.db2.gz GZMIAQKLNIZWOQ-HZPDHXFCSA-N 1 1 335.379 1.472 20 5 EDBDMO Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000940108190 700220885 /nfs/dbraw/zinc/22/08/85/700220885.db2.gz ZQCPXLKQRGRXKM-CHWSQXEVSA-N 1 1 336.392 1.427 20 5 EDBDMO O=C(NCC1CC[NH+](CC2CC(F)(F)C2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001400970 708137939 /nfs/dbraw/zinc/13/79/39/708137939.db2.gz WPZVTTAVJGKMBL-CHWSQXEVSA-N 1 1 331.363 1.525 20 5 EDBDMO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1cnccn1 ZINC001002258534 708755645 /nfs/dbraw/zinc/75/56/45/708755645.db2.gz MBGVTAUBNKKDDM-UHFFFAOYSA-N 1 1 341.371 1.779 20 5 EDBDMO CCn1cc(CC[NH+]2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001005381492 708812058 /nfs/dbraw/zinc/81/20/58/708812058.db2.gz LOWXKOHTFGADHC-HZPDHXFCSA-N 1 1 349.435 1.034 20 5 EDBDMO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1cn[nH]c1 ZINC001002388258 708899075 /nfs/dbraw/zinc/89/90/75/708899075.db2.gz FDCNQDPRRWZAGE-UHFFFAOYSA-N 1 1 329.360 1.712 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cc(C3CC3)no2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034645596 710321983 /nfs/dbraw/zinc/32/19/83/710321983.db2.gz UCCMVCDYEBAVAB-ZNEHSRBWSA-N 1 1 348.403 1.734 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000131524157 529386232 /nfs/dbraw/zinc/38/62/32/529386232.db2.gz VOJZVHYMNUSKJK-GFCCVEGCSA-N 1 1 337.376 1.132 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000174386120 529466510 /nfs/dbraw/zinc/46/65/10/529466510.db2.gz YATCSEZNDGESNW-LBPRGKRZSA-N 1 1 335.408 1.828 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174857831 231325890 /nfs/dbraw/zinc/32/58/90/231325890.db2.gz JFDWKOHZAKJKSR-OAHLLOKOSA-N 1 1 329.404 1.998 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000175078168 231380918 /nfs/dbraw/zinc/38/09/18/231380918.db2.gz CUWOJHQIEIWEBC-UHFFFAOYSA-N 1 1 341.433 1.976 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000412690863 304026873 /nfs/dbraw/zinc/02/68/73/304026873.db2.gz BCFWQCNOTWZSQV-CYBMUJFWSA-N 1 1 343.387 1.675 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1Cc1ccccc1 ZINC000412690863 304026876 /nfs/dbraw/zinc/02/68/76/304026876.db2.gz BCFWQCNOTWZSQV-CYBMUJFWSA-N 1 1 343.387 1.675 20 5 EDBDMO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000181822894 234338850 /nfs/dbraw/zinc/33/88/50/234338850.db2.gz CKROYRBPZCJWQM-CYBMUJFWSA-N 1 1 348.403 1.292 20 5 EDBDMO COCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413034517 304051363 /nfs/dbraw/zinc/05/13/63/304051363.db2.gz OARGJEZWYMXXPZ-UHFFFAOYSA-N 1 1 334.298 1.777 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041663389 138103534 /nfs/dbraw/zinc/10/35/34/138103534.db2.gz UHZABOONNHYYMQ-GFCCVEGCSA-N 1 1 334.376 1.524 20 5 EDBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCO)CCN1CCOCC1 ZINC000092186464 138286717 /nfs/dbraw/zinc/28/67/17/138286717.db2.gz SACDXTIIPQELOA-HWKANZROSA-N 1 1 335.404 1.235 20 5 EDBDMO C[C@H](O)C1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000111288174 138308503 /nfs/dbraw/zinc/30/85/03/138308503.db2.gz QCWIYRGERNWOBQ-BLLLJJGKSA-N 1 1 333.388 1.793 20 5 EDBDMO COc1ccc(OCC[N@@H+](CC(N)=O)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000131146018 223208710 /nfs/dbraw/zinc/20/87/10/223208710.db2.gz OJSABHPWJNMSTP-UHFFFAOYSA-N 1 1 325.365 1.568 20 5 EDBDMO C[C@H]1[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[N@H+]1C ZINC000343412419 291287682 /nfs/dbraw/zinc/28/76/82/291287682.db2.gz GFVCZQCLLSVBEW-JQWIXIFHSA-N 1 1 335.360 1.579 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000076160510 216721405 /nfs/dbraw/zinc/72/14/05/216721405.db2.gz RJKLCGHTTBRLIT-NSHDSACASA-N 1 1 325.390 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ZINC000111267007 220127720 /nfs/dbraw/zinc/12/77/20/220127720.db2.gz WUADFGZFBRAQIH-OLZOCXBDSA-N 1 1 348.403 1.688 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245420710 139073554 /nfs/dbraw/zinc/07/35/54/139073554.db2.gz HRFDXRXKYBCXBJ-SWLSCSKDSA-N 1 1 334.420 1.856 20 5 EDBDMO COC(=O)[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246001413 139092171 /nfs/dbraw/zinc/09/21/71/139092171.db2.gz DIWITYBDTUNPES-WFASDCNBSA-N 1 1 347.371 1.585 20 5 EDBDMO COC(=O)[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246001413 139092172 /nfs/dbraw/zinc/09/21/72/139092172.db2.gz DIWITYBDTUNPES-WFASDCNBSA-N 1 1 347.371 1.585 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000247640788 139153215 /nfs/dbraw/zinc/15/32/15/139153215.db2.gz SWBMGUCZGDXLDJ-RHSMWYFYSA-N 1 1 348.378 1.856 20 5 EDBDMO CN1CC[NH+](CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000248039730 139157572 /nfs/dbraw/zinc/15/75/72/139157572.db2.gz NUBFVEBDDMGGFU-UHFFFAOYSA-N 1 1 349.435 1.151 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000248927213 139180931 /nfs/dbraw/zinc/18/09/31/139180931.db2.gz XIXCUWCZWPUFLW-WCQYABFASA-N 1 1 329.360 1.568 20 5 EDBDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000248927213 139180932 /nfs/dbraw/zinc/18/09/32/139180932.db2.gz XIXCUWCZWPUFLW-WCQYABFASA-N 1 1 329.360 1.568 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000248927213 139180933 /nfs/dbraw/zinc/18/09/33/139180933.db2.gz XIXCUWCZWPUFLW-WCQYABFASA-N 1 1 329.360 1.568 20 5 EDBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261794799 139226684 /nfs/dbraw/zinc/22/66/84/139226684.db2.gz UZEQVMZVTMIFMY-AWEZNQCLSA-N 1 1 329.360 1.044 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000357712370 285190079 /nfs/dbraw/zinc/19/00/79/285190079.db2.gz WNTUHHFQKOBEDX-WBVHZDCISA-N 1 1 348.378 1.998 20 5 EDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263713924 139354873 /nfs/dbraw/zinc/35/48/73/139354873.db2.gz NECOMUPBZMCXLE-HNNXBMFYSA-N 1 1 348.403 1.267 20 5 EDBDMO Cc1sc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000487334393 255029326 /nfs/dbraw/zinc/02/93/26/255029326.db2.gz FECCYKTXESHOIL-AOOOYVTPSA-N 1 1 331.419 1.147 20 5 EDBDMO CC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000495259768 255276061 /nfs/dbraw/zinc/27/60/61/255276061.db2.gz BOBFLTIVZOAQTF-BZNIZROVSA-N 1 1 337.376 1.777 20 5 EDBDMO CC[C@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000495259768 255276062 /nfs/dbraw/zinc/27/60/62/255276062.db2.gz BOBFLTIVZOAQTF-BZNIZROVSA-N 1 1 337.376 1.777 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000118118297 221123086 /nfs/dbraw/zinc/12/30/86/221123086.db2.gz NLGLJMSCGZUNIU-LBPRGKRZSA-N 1 1 336.392 1.688 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000264084638 139379832 /nfs/dbraw/zinc/37/98/32/139379832.db2.gz DQODZVVNNVPWRS-UHFFFAOYSA-N 1 1 343.405 1.320 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000264084638 139379833 /nfs/dbraw/zinc/37/98/33/139379833.db2.gz DQODZVVNNVPWRS-UHFFFAOYSA-N 1 1 343.405 1.320 20 5 EDBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186796719 533297818 /nfs/dbraw/zinc/29/78/18/533297818.db2.gz LVDFJOUIFRXOMP-GFCCVEGCSA-N 1 1 348.403 1.266 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000269739989 139983608 /nfs/dbraw/zinc/98/36/08/139983608.db2.gz YKEOFQPVJPDFMH-UHFFFAOYSA-N 1 1 333.323 1.430 20 5 EDBDMO Cc1nc2sccn2c1C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270571801 140126152 /nfs/dbraw/zinc/12/61/52/140126152.db2.gz NVJVUKLIEVXEHM-UHFFFAOYSA-N 1 1 347.400 1.906 20 5 EDBDMO Cc1nc2sccn2c1C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270571801 140126153 /nfs/dbraw/zinc/12/61/53/140126153.db2.gz NVJVUKLIEVXEHM-UHFFFAOYSA-N 1 1 347.400 1.906 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000270587219 140129379 /nfs/dbraw/zinc/12/93/79/140129379.db2.gz SFMPFOONMIEHEX-AWEZNQCLSA-N 1 1 330.344 1.305 20 5 EDBDMO COc1cc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416303210 304307238 /nfs/dbraw/zinc/30/72/38/304307238.db2.gz XNBBFOZUEGSUNB-NEPJUHHUSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416303210 304307240 /nfs/dbraw/zinc/30/72/40/304307240.db2.gz XNBBFOZUEGSUNB-NEPJUHHUSA-N 1 1 337.376 1.131 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000345873687 143142058 /nfs/dbraw/zinc/14/20/58/143142058.db2.gz IAWUKACGZKPNGE-CHWSQXEVSA-N 1 1 337.424 1.869 20 5 EDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000346790718 143246049 /nfs/dbraw/zinc/24/60/49/143246049.db2.gz KBZJHJJSJHFVMI-SNVBAGLBSA-N 1 1 326.328 1.264 20 5 EDBDMO C[C@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000347104138 143283072 /nfs/dbraw/zinc/28/30/72/143283072.db2.gz ZBMIRUWRHDXYSI-FZMZJTMJSA-N 1 1 347.371 1.868 20 5 EDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000347260732 143301277 /nfs/dbraw/zinc/30/12/77/143301277.db2.gz ZICWUAXBUOCQBB-UKRRQHHQSA-N 1 1 343.387 1.743 20 5 EDBDMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(Cn3ccc([N+](=O)[O-])n3)n1)OC2 ZINC000347320169 143308093 /nfs/dbraw/zinc/30/80/93/143308093.db2.gz MOANKBJNDOYQNN-QMTHXVAHSA-N 1 1 334.336 1.148 20 5 EDBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(Cn3ccc([N+](=O)[O-])n3)n1)OC2 ZINC000347320169 143308094 /nfs/dbraw/zinc/30/80/94/143308094.db2.gz MOANKBJNDOYQNN-QMTHXVAHSA-N 1 1 334.336 1.148 20 5 EDBDMO CCOc1ccc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000347765672 143360276 /nfs/dbraw/zinc/36/02/76/143360276.db2.gz ABHGOVHUDIZCIW-GDBMZVCRSA-N 1 1 349.387 1.539 20 5 EDBDMO C[N@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000416562024 304332253 /nfs/dbraw/zinc/33/22/53/304332253.db2.gz NSHJNJSKMAIAMU-LBPRGKRZSA-N 1 1 327.406 1.605 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000354929685 150037707 /nfs/dbraw/zinc/03/77/07/150037707.db2.gz MMMNSIUDMPLXCT-ZDUSSCGKSA-N 1 1 338.360 1.493 20 5 EDBDMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000355062648 150098501 /nfs/dbraw/zinc/09/85/01/150098501.db2.gz QNIOETHYXYBNPV-VXGBXAGGSA-N 1 1 345.359 1.981 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000357549823 151064253 /nfs/dbraw/zinc/06/42/53/151064253.db2.gz PLWNXYIENKQIBE-GXFFZTMASA-N 1 1 331.332 1.884 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000357568363 151070416 /nfs/dbraw/zinc/07/04/16/151070416.db2.gz KSSBFKQRBNIQAO-IAQYHMDHSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000357639026 151095826 /nfs/dbraw/zinc/09/58/26/151095826.db2.gz UIOOXFTWSHRANO-ZDUSSCGKSA-N 1 1 337.420 1.880 20 5 EDBDMO C[N@H+]1CC[C@](O)(CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000358303715 151332085 /nfs/dbraw/zinc/33/20/85/151332085.db2.gz KNHBYLWEDRTZTC-LBPRGKRZSA-N 1 1 330.182 1.836 20 5 EDBDMO CC[NH+](CC)CCOCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000358393802 151361275 /nfs/dbraw/zinc/36/12/75/151361275.db2.gz QKFVZPLAMNKCJR-UHFFFAOYSA-N 1 1 325.365 1.389 20 5 EDBDMO CC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C[C@@H](C)O ZINC000361265922 152349527 /nfs/dbraw/zinc/34/95/27/152349527.db2.gz LOHGHZHZLPBNRC-CHWSQXEVSA-N 1 1 347.419 1.748 20 5 EDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363556672 152999439 /nfs/dbraw/zinc/99/94/39/152999439.db2.gz CMZRRTMGMIEVNJ-ZNMIVQPWSA-N 1 1 345.399 1.916 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCN3CCOC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363801110 153059860 /nfs/dbraw/zinc/05/98/60/153059860.db2.gz RZEYLNDAILPDBB-CQSZACIVSA-N 1 1 348.403 1.248 20 5 EDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000364282800 153196071 /nfs/dbraw/zinc/19/60/71/153196071.db2.gz ONVRNNMEUBCPTA-CHWSQXEVSA-N 1 1 334.376 1.160 20 5 EDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000364282800 153196074 /nfs/dbraw/zinc/19/60/74/153196074.db2.gz ONVRNNMEUBCPTA-CHWSQXEVSA-N 1 1 334.376 1.160 20 5 EDBDMO CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000364657624 153296413 /nfs/dbraw/zinc/29/64/13/153296413.db2.gz IPDOSXVYDQOMNZ-CYBMUJFWSA-N 1 1 344.371 1.891 20 5 EDBDMO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364959773 153383906 /nfs/dbraw/zinc/38/39/06/153383906.db2.gz YDGBSRFJPJEJHJ-LUKYLMHMSA-N 1 1 331.416 1.850 20 5 EDBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C2)c1 ZINC000367080626 154003229 /nfs/dbraw/zinc/00/32/29/154003229.db2.gz MPKRWQAAIYEHTO-STQMWFEESA-N 1 1 342.421 1.253 20 5 EDBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C2)c1 ZINC000367080626 154003232 /nfs/dbraw/zinc/00/32/32/154003232.db2.gz MPKRWQAAIYEHTO-STQMWFEESA-N 1 1 342.421 1.253 20 5 EDBDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000367141489 154021131 /nfs/dbraw/zinc/02/11/31/154021131.db2.gz PNMZYLSMCREXHJ-AWEZNQCLSA-N 1 1 346.391 1.129 20 5 EDBDMO C[N@H+]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000374314258 157238774 /nfs/dbraw/zinc/23/87/74/157238774.db2.gz CGBAUNSZYDLQMD-GJZGRUSLSA-N 1 1 329.360 1.005 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCN(c3cncc(F)c3)CC2)c1 ZINC000374441645 157292355 /nfs/dbraw/zinc/29/23/55/157292355.db2.gz ADPXJIIUEKEQSX-UHFFFAOYSA-N 1 1 334.355 1.538 20 5 EDBDMO Cc1cc(N2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000377918835 158028739 /nfs/dbraw/zinc/02/87/39/158028739.db2.gz SIKKQXSLGUENIC-GJZGRUSLSA-N 1 1 349.435 1.139 20 5 EDBDMO Cc1cc(N2CC[N@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000377918835 158028742 /nfs/dbraw/zinc/02/87/42/158028742.db2.gz SIKKQXSLGUENIC-GJZGRUSLSA-N 1 1 349.435 1.139 20 5 EDBDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000378384489 158159840 /nfs/dbraw/zinc/15/98/40/158159840.db2.gz VERNEHSONAOSGU-GFCCVEGCSA-N 1 1 333.396 1.880 20 5 EDBDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000378384489 158159843 /nfs/dbraw/zinc/15/98/43/158159843.db2.gz VERNEHSONAOSGU-GFCCVEGCSA-N 1 1 333.396 1.880 20 5 EDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366313246 162376162 /nfs/dbraw/zinc/37/61/62/162376162.db2.gz OVHPEPLZHIQHRF-UONOGXRCSA-N 1 1 347.371 1.477 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1C ZINC000124018843 287393562 /nfs/dbraw/zinc/39/35/62/287393562.db2.gz SZWVUANVMMOJDJ-GHMZBOCLSA-N 1 1 327.406 1.583 20 5 EDBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122405080 222080897 /nfs/dbraw/zinc/08/08/97/222080897.db2.gz CDGSQWILAJUCID-CQSZACIVSA-N 1 1 348.447 1.907 20 5 EDBDMO Cc1sc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123177427 222230758 /nfs/dbraw/zinc/23/07/58/222230758.db2.gz ROFHDIIHVKKFRK-JTQLQIEISA-N 1 1 347.462 1.975 20 5 EDBDMO Cc1sc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123177427 222230760 /nfs/dbraw/zinc/23/07/60/222230760.db2.gz ROFHDIIHVKKFRK-JTQLQIEISA-N 1 1 347.462 1.975 20 5 EDBDMO COC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123699919 222318849 /nfs/dbraw/zinc/31/88/49/222318849.db2.gz GSHQGFJKQMHPEE-RISCZKNCSA-N 1 1 349.387 1.936 20 5 EDBDMO Cc1c(CC(=O)NCc2c[nH+]c(N(C)C)n2C)cccc1[N+](=O)[O-] ZINC000269750678 267953093 /nfs/dbraw/zinc/95/30/93/267953093.db2.gz ZZSQKXRQVBVLCN-UHFFFAOYSA-N 1 1 331.376 1.562 20 5 EDBDMO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2nncn2C)cccc1[N+](=O)[O-] ZINC000274006018 268095985 /nfs/dbraw/zinc/09/59/85/268095985.db2.gz LFYJPKPPKLOCOV-NSHDSACASA-N 1 1 332.364 1.711 20 5 EDBDMO C[NH+](C)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000274393650 268134631 /nfs/dbraw/zinc/13/46/31/268134631.db2.gz SXAWMBUREMZTHU-UHFFFAOYSA-N 1 1 336.373 1.078 20 5 EDBDMO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000275338428 268325701 /nfs/dbraw/zinc/32/57/01/268325701.db2.gz ARAARMFBCFOXHG-ZDUSSCGKSA-N 1 1 343.387 1.896 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)C2CCOCC2)c2c(c1)COCO2 ZINC000275637683 268367112 /nfs/dbraw/zinc/36/71/12/268367112.db2.gz VWHXOFHGOLEAGV-UHFFFAOYSA-N 1 1 338.360 1.435 20 5 EDBDMO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCOCC2)nc1 ZINC000273164821 273030958 /nfs/dbraw/zinc/03/09/58/273030958.db2.gz LFGZYBQKUJROTN-UHFFFAOYSA-N 1 1 329.360 1.829 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000367451678 274228069 /nfs/dbraw/zinc/22/80/69/274228069.db2.gz SHMBZZRIPSRVAK-NSHDSACASA-N 1 1 347.375 1.137 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@](O)(Cn3ccnn3)C2)cc1 ZINC000284539484 274238153 /nfs/dbraw/zinc/23/81/53/274238153.db2.gz KMSMSQACAIDZAY-INIZCTEOSA-N 1 1 347.375 1.092 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000284847016 274357421 /nfs/dbraw/zinc/35/74/21/274357421.db2.gz QDOIPXIFSILPCR-IMJJTQAJSA-N 1 1 336.388 1.835 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000284847016 274357422 /nfs/dbraw/zinc/35/74/22/274357422.db2.gz QDOIPXIFSILPCR-IMJJTQAJSA-N 1 1 336.388 1.835 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000375042850 277146469 /nfs/dbraw/zinc/14/64/69/277146469.db2.gz SUSHAKGHMCVKHL-XYPHTWIQSA-N 1 1 344.415 1.726 20 5 EDBDMO COC(=O)c1cc(C)nc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000287169378 288171936 /nfs/dbraw/zinc/17/19/36/288171936.db2.gz GWRGXMBVTBQFKG-VXGBXAGGSA-N 1 1 334.376 1.758 20 5 EDBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@H](C)OC ZINC000291284439 289031178 /nfs/dbraw/zinc/03/11/78/289031178.db2.gz QPKWHQJIXJEGLB-NSHDSACASA-N 1 1 325.365 1.899 20 5 EDBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@H](C)OC ZINC000291284439 289031181 /nfs/dbraw/zinc/03/11/81/289031181.db2.gz QPKWHQJIXJEGLB-NSHDSACASA-N 1 1 325.365 1.899 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185975239 290181059 /nfs/dbraw/zinc/18/10/59/290181059.db2.gz VDKSZPNNVYDETC-IUODEOHRSA-N 1 1 339.417 1.700 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000493897874 301199677 /nfs/dbraw/zinc/19/96/77/301199677.db2.gz RUDLRVSCZDZHOB-STQMWFEESA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000493897874 301199679 /nfs/dbraw/zinc/19/96/79/301199679.db2.gz RUDLRVSCZDZHOB-STQMWFEESA-N 1 1 341.433 1.973 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@H]2C1 ZINC000293818295 303023701 /nfs/dbraw/zinc/02/37/01/303023701.db2.gz FWEWPKADVHOEFN-LSDHHAIUSA-N 1 1 334.376 1.112 20 5 EDBDMO COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000428763480 305016886 /nfs/dbraw/zinc/01/68/86/305016886.db2.gz CCNLDHGTYIMZCP-HNNXBMFYSA-N 1 1 339.348 1.091 20 5 EDBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000428784105 305017389 /nfs/dbraw/zinc/01/73/89/305017389.db2.gz SJYIMSRIQGWIDI-KRWDZBQOSA-N 1 1 344.371 1.645 20 5 EDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439105100 305194000 /nfs/dbraw/zinc/19/40/00/305194000.db2.gz GXVFYEUPVQVLTQ-ZDUSSCGKSA-N 1 1 349.435 1.379 20 5 EDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000440866502 305213741 /nfs/dbraw/zinc/21/37/41/305213741.db2.gz WBCFLDKMHXBWJA-LLVKDONJSA-N 1 1 343.405 1.366 20 5 EDBDMO C[N@H+]1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000442899579 305230804 /nfs/dbraw/zinc/23/08/04/305230804.db2.gz LGMYKSFYPGIBPN-UHFFFAOYSA-N 1 1 334.420 1.280 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H](O)CN3CCOCC3)C2)cc1 ZINC000451550432 305352852 /nfs/dbraw/zinc/35/28/52/305352852.db2.gz RRBXEIPZEMGDOU-SJLPKXTDSA-N 1 1 349.431 1.467 20 5 EDBDMO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NC(=O)NC1CC1 ZINC000451552243 305352993 /nfs/dbraw/zinc/35/29/93/305352993.db2.gz WHIDOLCEMNUGOS-ZDUSSCGKSA-N 1 1 346.387 1.762 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NC(=O)NC1CC1 ZINC000451552243 305352994 /nfs/dbraw/zinc/35/29/94/305352994.db2.gz WHIDOLCEMNUGOS-ZDUSSCGKSA-N 1 1 346.387 1.762 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000451628474 305357387 /nfs/dbraw/zinc/35/73/87/305357387.db2.gz IQDDAKNMLHRRCH-CJNGLKHVSA-N 1 1 330.388 1.120 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000452352625 305391871 /nfs/dbraw/zinc/39/18/71/305391871.db2.gz SGDDLVHZCXGXCH-CYBMUJFWSA-N 1 1 346.387 1.653 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000452353928 305392020 /nfs/dbraw/zinc/39/20/20/305392020.db2.gz VBOKVINKNPUADB-ZDUSSCGKSA-N 1 1 346.387 1.653 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000452367679 305393537 /nfs/dbraw/zinc/39/35/37/305393537.db2.gz PYMMCHIYJZUWET-GFCCVEGCSA-N 1 1 346.387 1.653 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000452392240 305397289 /nfs/dbraw/zinc/39/72/89/305397289.db2.gz QYVOZBVLBDCFPX-ZDUSSCGKSA-N 1 1 346.387 1.653 20 5 EDBDMO CCOCC[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491749843 305577976 /nfs/dbraw/zinc/57/79/76/305577976.db2.gz RAKJQQAYWCMPDZ-YVMONPNESA-N 1 1 333.388 1.789 20 5 EDBDMO CN1CCN(C(=O)CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000554817239 306198364 /nfs/dbraw/zinc/19/83/64/306198364.db2.gz ASVURGLEZFNLDM-UHFFFAOYSA-N 1 1 332.404 1.117 20 5 EDBDMO [NH3+]CC(F)(F)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414962711 447375634 /nfs/dbraw/zinc/37/56/34/447375634.db2.gz ZWQQJNYMMJSFAO-UHFFFAOYSA-N 1 1 340.233 1.912 20 5 EDBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000043901768 440809629 /nfs/dbraw/zinc/80/96/29/440809629.db2.gz OCPLWRKWCQCLOL-HUUCEWRRSA-N 1 1 347.419 1.933 20 5 EDBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C(N)=O)CC1 ZINC000045468919 440991504 /nfs/dbraw/zinc/99/15/04/440991504.db2.gz JCEMHHHSUAVSER-JTQLQIEISA-N 1 1 345.359 1.903 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000070871468 441125024 /nfs/dbraw/zinc/12/50/24/441125024.db2.gz BDJYKBCLSKRVKV-NSHDSACASA-N 1 1 335.360 1.580 20 5 EDBDMO Cc1ccc(NCCCCN2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000080640024 441186322 /nfs/dbraw/zinc/18/63/22/441186322.db2.gz ITWRASZEURHOLE-UHFFFAOYSA-N 1 1 336.436 1.705 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000104070305 441188466 /nfs/dbraw/zinc/18/84/66/441188466.db2.gz BPSDZTWJENABAR-CYBMUJFWSA-N 1 1 338.433 1.570 20 5 EDBDMO C[NH+](C)CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000015206872 441197051 /nfs/dbraw/zinc/19/70/51/441197051.db2.gz USIZLYLPAPAZHH-UHFFFAOYSA-N 1 1 341.311 1.862 20 5 EDBDMO COc1ccc(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000104748318 441203695 /nfs/dbraw/zinc/20/36/95/441203695.db2.gz IBRZTMNVGHTTIF-LLVKDONJSA-N 1 1 343.405 1.176 20 5 EDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000047632815 441212771 /nfs/dbraw/zinc/21/27/71/441212771.db2.gz DQCLERVYIMKJHU-MRXNPFEDSA-N 1 1 333.388 1.922 20 5 EDBDMO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000081576129 441292195 /nfs/dbraw/zinc/29/21/95/441292195.db2.gz YVKPILSKQXQDLH-SECBINFHSA-N 1 1 342.783 1.501 20 5 EDBDMO CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000081576129 441292200 /nfs/dbraw/zinc/29/22/00/441292200.db2.gz YVKPILSKQXQDLH-SECBINFHSA-N 1 1 342.783 1.501 20 5 EDBDMO Cc1nn(C)c(NC2CCN(C3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000050954373 441393710 /nfs/dbraw/zinc/39/37/10/441393710.db2.gz NSBDUKMGIJEJHD-UHFFFAOYSA-N 1 1 336.440 1.607 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cnn(C)c1 ZINC000026256845 441372096 /nfs/dbraw/zinc/37/20/96/441372096.db2.gz LQKMAZTYDDWFPW-UHFFFAOYSA-N 1 1 347.375 1.798 20 5 EDBDMO Cc1c(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000051530934 441413983 /nfs/dbraw/zinc/41/39/83/441413983.db2.gz GAGMQBQDECPNNP-INIZCTEOSA-N 1 1 347.415 1.974 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108406787 441452444 /nfs/dbraw/zinc/45/24/44/441452444.db2.gz DBQXUAHZZGVZJP-GFCCVEGCSA-N 1 1 327.406 1.523 20 5 EDBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000053667188 441534914 /nfs/dbraw/zinc/53/49/14/441534914.db2.gz GIBWLFBMTWPSOB-NWDGAFQWSA-N 1 1 343.380 1.639 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000090552279 441633942 /nfs/dbraw/zinc/63/39/42/441633942.db2.gz YGWKOMWCPVBHNB-HIFRSBDPSA-N 1 1 347.371 1.938 20 5 EDBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[NH+](CC2CC2)CC1 ZINC000055669211 441660293 /nfs/dbraw/zinc/66/02/93/441660293.db2.gz ZSHSPAQHIKHFRU-UHFFFAOYSA-N 1 1 333.344 1.491 20 5 EDBDMO COc1ccc(CC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000067914647 441695901 /nfs/dbraw/zinc/69/59/01/441695901.db2.gz CBHNVWIISGBYOA-AWEZNQCLSA-N 1 1 335.404 1.992 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000159390337 441809917 /nfs/dbraw/zinc/80/99/17/441809917.db2.gz YNSRIUZVLBIETC-INIZCTEOSA-N 1 1 332.404 1.509 20 5 EDBDMO C[C@H]1C[C@@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000173749620 441833922 /nfs/dbraw/zinc/83/39/22/441833922.db2.gz KYTOSTMIECYVIU-KBPBESRZSA-N 1 1 334.420 1.972 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000141752106 441855180 /nfs/dbraw/zinc/85/51/80/441855180.db2.gz OZFLSFSDDVNXBD-LBPRGKRZSA-N 1 1 334.332 1.813 20 5 EDBDMO CCc1ccc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000174275761 441909160 /nfs/dbraw/zinc/90/91/60/441909160.db2.gz ACFHIWQOMKIERD-ZDUSSCGKSA-N 1 1 335.404 1.855 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000069137758 441898058 /nfs/dbraw/zinc/89/80/58/441898058.db2.gz MROVCXZDHCSKQK-GFCCVEGCSA-N 1 1 349.387 1.843 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1N1CCOCC1 ZINC000174812245 441970825 /nfs/dbraw/zinc/97/08/25/441970825.db2.gz WQONWYOQFJBQEB-UHFFFAOYSA-N 1 1 345.403 1.760 20 5 EDBDMO COc1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000150812365 441955375 /nfs/dbraw/zinc/95/53/75/441955375.db2.gz RLQQNOLXOOUMSB-NSHDSACASA-N 1 1 343.405 1.224 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175244675 442025861 /nfs/dbraw/zinc/02/58/61/442025861.db2.gz DLEGOMFOHPCAIF-CYBMUJFWSA-N 1 1 348.403 1.819 20 5 EDBDMO NC(=O)C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000175269782 442030692 /nfs/dbraw/zinc/03/06/92/442030692.db2.gz WTSJKCRABIAMRP-GFCCVEGCSA-N 1 1 334.376 1.511 20 5 EDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000175361356 442050588 /nfs/dbraw/zinc/05/05/88/442050588.db2.gz UNXYKWJTJRGDNT-UHFFFAOYSA-N 1 1 329.422 1.746 20 5 EDBDMO Cc1ccc(NCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)[nH+]c1 ZINC000126361273 442104271 /nfs/dbraw/zinc/10/42/71/442104271.db2.gz OVMWLEFSLZKQKT-UHFFFAOYSA-N 1 1 332.364 1.503 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C)CC1 ZINC000121123275 442179719 /nfs/dbraw/zinc/17/97/19/442179719.db2.gz ZUHSSHHCOVFQGT-JTQLQIEISA-N 1 1 326.784 1.823 20 5 EDBDMO C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000121274757 442198622 /nfs/dbraw/zinc/19/86/22/442198622.db2.gz FHLDGHXQXFMULV-SWLSCSKDSA-N 1 1 336.392 1.156 20 5 EDBDMO C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000121274757 442198625 /nfs/dbraw/zinc/19/86/25/442198625.db2.gz FHLDGHXQXFMULV-SWLSCSKDSA-N 1 1 336.392 1.156 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000152509200 442220862 /nfs/dbraw/zinc/22/08/62/442220862.db2.gz IMJJVKSIYIJHAL-UHFFFAOYSA-N 1 1 329.784 1.946 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000177163850 442308203 /nfs/dbraw/zinc/30/82/03/442308203.db2.gz BHVBONPNKVUQSV-VHSXEESVSA-N 1 1 329.360 1.826 20 5 EDBDMO O=C1[C@H](N2CC[N@H+]3CCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000171759443 442378173 /nfs/dbraw/zinc/37/81/73/442378173.db2.gz WIVHVFHFPCOHCC-HZPDHXFCSA-N 1 1 330.388 1.480 20 5 EDBDMO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H]1C[N@H+](C)CCO1 ZINC000154843179 442360585 /nfs/dbraw/zinc/36/05/85/442360585.db2.gz PYDVYTLGRMWSOI-MEBBXXQBSA-N 1 1 334.376 1.611 20 5 EDBDMO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H]1C[N@@H+](C)CCO1 ZINC000154843179 442360589 /nfs/dbraw/zinc/36/05/89/442360589.db2.gz PYDVYTLGRMWSOI-MEBBXXQBSA-N 1 1 334.376 1.611 20 5 EDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000179397385 442640920 /nfs/dbraw/zinc/64/09/20/442640920.db2.gz CAFGVWNWGWUQDD-ZDUSSCGKSA-N 1 1 337.376 1.132 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000192851241 442692492 /nfs/dbraw/zinc/69/24/92/442692492.db2.gz LEZDFXNFOAOZNB-AWEZNQCLSA-N 1 1 327.406 1.499 20 5 EDBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000193580326 442755796 /nfs/dbraw/zinc/75/57/96/442755796.db2.gz ZJVZLYMKXINRCZ-LBPRGKRZSA-N 1 1 340.449 1.660 20 5 EDBDMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000193822609 442794586 /nfs/dbraw/zinc/79/45/86/442794586.db2.gz LZVIZBSZGOEKAA-LLVKDONJSA-N 1 1 343.405 1.366 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000193822609 442794587 /nfs/dbraw/zinc/79/45/87/442794587.db2.gz LZVIZBSZGOEKAA-LLVKDONJSA-N 1 1 343.405 1.366 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000247115524 442836048 /nfs/dbraw/zinc/83/60/48/442836048.db2.gz RKYOPJZVSQFOHN-NWDGAFQWSA-N 1 1 337.376 1.899 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000268167509 442880113 /nfs/dbraw/zinc/88/01/13/442880113.db2.gz DQYDQZADHVOIQB-GXTWGEPZSA-N 1 1 332.404 1.630 20 5 EDBDMO CC(C)(C(=O)NCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000265700197 442885635 /nfs/dbraw/zinc/88/56/35/442885635.db2.gz DJDCXJYLRSAIRM-UHFFFAOYSA-N 1 1 335.404 1.711 20 5 EDBDMO COCC[NH+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000194583029 442917588 /nfs/dbraw/zinc/91/75/88/442917588.db2.gz JTAYCBNHWCQHNX-ZDUSSCGKSA-N 1 1 336.392 1.186 20 5 EDBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000189525276 442972686 /nfs/dbraw/zinc/97/26/86/442972686.db2.gz AGBPDLYDZJBVQA-BXUZGUMPSA-N 1 1 346.387 1.784 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C1CC1 ZINC000189934028 443031655 /nfs/dbraw/zinc/03/16/55/443031655.db2.gz HPKRYSOCKVPQEP-UHFFFAOYSA-N 1 1 341.433 1.974 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000190011692 443046807 /nfs/dbraw/zinc/04/68/07/443046807.db2.gz XWENIWRLEVTPFJ-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000190011692 443046812 /nfs/dbraw/zinc/04/68/12/443046812.db2.gz XWENIWRLEVTPFJ-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000190112722 443059027 /nfs/dbraw/zinc/05/90/27/443059027.db2.gz ILHIKVVTMXDRSA-OCCSQVGLSA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000190112722 443059030 /nfs/dbraw/zinc/05/90/30/443059030.db2.gz ILHIKVVTMXDRSA-OCCSQVGLSA-N 1 1 337.376 1.313 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000266326210 443098369 /nfs/dbraw/zinc/09/83/69/443098369.db2.gz GENRSVLJNGGTPE-NSHDSACASA-N 1 1 330.335 1.854 20 5 EDBDMO Cc1sc(C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000261741722 443167497 /nfs/dbraw/zinc/16/74/97/443167497.db2.gz NZPZIADKAPLOEN-NSHDSACASA-N 1 1 335.389 1.485 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000266538143 443160969 /nfs/dbraw/zinc/16/09/69/443160969.db2.gz OXVJACBGBGBUQT-RDJZCZTQSA-N 1 1 330.388 1.717 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000245443511 443228510 /nfs/dbraw/zinc/22/85/10/443228510.db2.gz IVHZLOSFJUEYQV-NEPJUHHUSA-N 1 1 334.376 1.428 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000245443511 443228512 /nfs/dbraw/zinc/22/85/12/443228512.db2.gz IVHZLOSFJUEYQV-NEPJUHHUSA-N 1 1 334.376 1.428 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000411558211 319184787 /nfs/dbraw/zinc/18/47/87/319184787.db2.gz SPQRORHIIVTIQY-NSHDSACASA-N 1 1 339.367 1.743 20 5 EDBDMO COC(=O)[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+](C)C1 ZINC000413511737 319272829 /nfs/dbraw/zinc/27/28/29/319272829.db2.gz ZYRQGJDWLXPWKH-SNVBAGLBSA-N 1 1 333.348 1.012 20 5 EDBDMO CC[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185798912 443258854 /nfs/dbraw/zinc/25/88/54/443258854.db2.gz OTJGKQDJRLPVFE-RDJZCZTQSA-N 1 1 330.388 1.989 20 5 EDBDMO COCC[N@H+]1CCCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269398105 443303424 /nfs/dbraw/zinc/30/34/24/443303424.db2.gz NIUSQBHQQLWXPP-UHFFFAOYSA-N 1 1 339.396 1.236 20 5 EDBDMO COCC[N@@H+]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269398105 443303434 /nfs/dbraw/zinc/30/34/34/443303434.db2.gz NIUSQBHQQLWXPP-UHFFFAOYSA-N 1 1 339.396 1.236 20 5 EDBDMO COCC[N@H+]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269398105 443303439 /nfs/dbraw/zinc/30/34/39/443303439.db2.gz NIUSQBHQQLWXPP-UHFFFAOYSA-N 1 1 339.396 1.236 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272497045 443340454 /nfs/dbraw/zinc/34/04/54/443340454.db2.gz WOELTOYSOYIEMT-HIFRSBDPSA-N 1 1 339.417 1.451 20 5 EDBDMO Cc1c(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278518335 443351274 /nfs/dbraw/zinc/35/12/74/443351274.db2.gz CFYDKLJEHMXBGY-RYUDHWBXSA-N 1 1 336.392 1.822 20 5 EDBDMO C[C@@H](O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000272541553 443357172 /nfs/dbraw/zinc/35/71/72/443357172.db2.gz JRLHFIRPBROYPN-ZJUUUORDSA-N 1 1 327.768 1.889 20 5 EDBDMO C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000272541553 443357176 /nfs/dbraw/zinc/35/71/76/443357176.db2.gz JRLHFIRPBROYPN-ZJUUUORDSA-N 1 1 327.768 1.889 20 5 EDBDMO C[NH+](C)CCn1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1=O ZINC000272676545 443406394 /nfs/dbraw/zinc/40/63/94/443406394.db2.gz MGTQMUPASGGKRR-UHFFFAOYSA-N 1 1 346.343 1.276 20 5 EDBDMO CCOC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283234917 443569228 /nfs/dbraw/zinc/56/92/28/443569228.db2.gz IWQUCEMBCSKMEM-CQSZACIVSA-N 1 1 335.360 1.951 20 5 EDBDMO CCOC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283234917 443569231 /nfs/dbraw/zinc/56/92/31/443569231.db2.gz IWQUCEMBCSKMEM-CQSZACIVSA-N 1 1 335.360 1.951 20 5 EDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000440835308 320082526 /nfs/dbraw/zinc/08/25/26/320082526.db2.gz UBPXCXHKXFIOKL-AWEZNQCLSA-N 1 1 327.406 1.499 20 5 EDBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]12 ZINC000449518518 320193835 /nfs/dbraw/zinc/19/38/35/320193835.db2.gz APGMRKGOHPZGDC-OKILXGFUSA-N 1 1 341.323 1.559 20 5 EDBDMO Cn1ccnc1[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000280140734 443671613 /nfs/dbraw/zinc/67/16/13/443671613.db2.gz RALPGVFUOLHQQI-HOTGVXAUSA-N 1 1 345.403 1.350 20 5 EDBDMO Cn1ccnc1[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000280140734 443671617 /nfs/dbraw/zinc/67/16/17/443671617.db2.gz RALPGVFUOLHQQI-HOTGVXAUSA-N 1 1 345.403 1.350 20 5 EDBDMO COc1cc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc([N+](=O)[O-])c1C 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KSBYOXXVDQHTTE-CYBMUJFWSA-N 1 1 340.449 1.658 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285376666 443961304 /nfs/dbraw/zinc/96/13/04/443961304.db2.gz WFLGKEJYKNXELX-KGLIPLIRSA-N 1 1 335.360 1.149 20 5 EDBDMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299389463 444034091 /nfs/dbraw/zinc/03/40/91/444034091.db2.gz TZKZWPWMVJSAMP-UHFFFAOYSA-N 1 1 336.392 1.690 20 5 EDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000277866257 444053457 /nfs/dbraw/zinc/05/34/57/444053457.db2.gz ULPYNYFTRIHQPQ-AAEUAGOBSA-N 1 1 339.396 1.636 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000299547903 444076052 /nfs/dbraw/zinc/07/60/52/444076052.db2.gz VNDHHBHGUAKHJV-UHFFFAOYSA-N 1 1 345.403 1.738 20 5 EDBDMO C[C@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289123844 444058134 /nfs/dbraw/zinc/05/81/34/444058134.db2.gz XFYWCVCXJYQFPO-STQMWFEESA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289123844 444058135 /nfs/dbraw/zinc/05/81/35/444058135.db2.gz XFYWCVCXJYQFPO-STQMWFEESA-N 1 1 333.388 1.577 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285734448 444090557 /nfs/dbraw/zinc/09/05/57/444090557.db2.gz KQCWLYMRHCYDDR-HZPDHXFCSA-N 1 1 348.403 1.328 20 5 EDBDMO CN(C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000285798886 444111063 /nfs/dbraw/zinc/11/10/63/444111063.db2.gz ZYJYWUGBBKWDFM-ZDUSSCGKSA-N 1 1 341.433 1.698 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000285798886 444111066 /nfs/dbraw/zinc/11/10/66/444111066.db2.gz ZYJYWUGBBKWDFM-ZDUSSCGKSA-N 1 1 341.433 1.698 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CCN(C)C)CC1 ZINC000301090205 444143857 /nfs/dbraw/zinc/14/38/57/444143857.db2.gz HXPDZANITNUNLS-UHFFFAOYSA-N 1 1 349.435 1.392 20 5 EDBDMO C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)NC(=O)NC1=O ZINC000289510789 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RLCWEHMLNUSCNO-LLVKDONJSA-N 1 1 345.421 1.610 20 5 EDBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301800708 444191140 /nfs/dbraw/zinc/19/11/40/444191140.db2.gz STDJXZGZUIEHFY-JTQLQIEISA-N 1 1 342.346 1.872 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000295929738 444194816 /nfs/dbraw/zinc/19/48/16/444194816.db2.gz HTHJLJVZMHYUMZ-NXHRZFHOSA-N 1 1 348.399 1.978 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000295929738 444194819 /nfs/dbraw/zinc/19/48/19/444194819.db2.gz HTHJLJVZMHYUMZ-NXHRZFHOSA-N 1 1 348.399 1.978 20 5 EDBDMO Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301978663 444199295 /nfs/dbraw/zinc/19/92/95/444199295.db2.gz AAATVDKWRKVQJM-CYBMUJFWSA-N 1 1 346.387 1.556 20 5 EDBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302022182 444200882 /nfs/dbraw/zinc/20/08/82/444200882.db2.gz FXOXHURUWFMWED-MRXNPFEDSA-N 1 1 348.447 1.693 20 5 EDBDMO 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RVPABEMFELJRKW-DOMZBBRYSA-N 1 1 335.408 1.789 20 5 EDBDMO CC(C)OCC[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342841971 444888932 /nfs/dbraw/zinc/88/89/32/444888932.db2.gz CKGDOVKGHJQNCD-UHFFFAOYSA-N 1 1 336.392 1.241 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000341751560 444985602 /nfs/dbraw/zinc/98/56/02/444985602.db2.gz SATMADJIPKYEFE-YPMHNXCESA-N 1 1 349.309 1.534 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000341751560 444985604 /nfs/dbraw/zinc/98/56/04/444985604.db2.gz SATMADJIPKYEFE-YPMHNXCESA-N 1 1 349.309 1.534 20 5 EDBDMO CS(=O)(=O)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000337376383 445054663 /nfs/dbraw/zinc/05/46/63/445054663.db2.gz AHDDLQMGQNEZEF-OAHLLOKOSA-N 1 1 342.417 1.873 20 5 EDBDMO CS(=O)(=O)[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000337376383 445054666 /nfs/dbraw/zinc/05/46/66/445054666.db2.gz AHDDLQMGQNEZEF-OAHLLOKOSA-N 1 1 342.417 1.873 20 5 EDBDMO 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COCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000582191981 449036132 /nfs/dbraw/zinc/03/61/32/449036132.db2.gz SPAJSTOQOFGZEC-UHFFFAOYSA-N 1 1 338.408 1.936 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1C ZINC000589924430 449080695 /nfs/dbraw/zinc/08/06/95/449080695.db2.gz CAWNWXJBGSVBJO-GXTWGEPZSA-N 1 1 339.417 1.536 20 5 EDBDMO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000589924519 449081671 /nfs/dbraw/zinc/08/16/71/449081671.db2.gz GJSPHESCVXBOBV-BXKDBHETSA-N 1 1 345.808 1.573 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000589924519 449081678 /nfs/dbraw/zinc/08/16/78/449081678.db2.gz GJSPHESCVXBOBV-BXKDBHETSA-N 1 1 345.808 1.573 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000589929939 449084216 /nfs/dbraw/zinc/08/42/16/449084216.db2.gz OTLBMPPANKECFX-DZGCQCFKSA-N 1 1 339.417 1.103 20 5 EDBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](Cc2ccccc2)C1 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XOUHMKXWRHVKJN-NSHDSACASA-N 1 1 335.360 1.548 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088461 449165122 /nfs/dbraw/zinc/16/51/22/449165122.db2.gz XOUHMKXWRHVKJN-NSHDSACASA-N 1 1 335.360 1.548 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000595736572 449138996 /nfs/dbraw/zinc/13/89/96/449138996.db2.gz MOVPFJKJOIYADC-CHWSQXEVSA-N 1 1 337.376 1.577 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000595736572 449138998 /nfs/dbraw/zinc/13/89/98/449138998.db2.gz MOVPFJKJOIYADC-CHWSQXEVSA-N 1 1 337.376 1.577 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595748572 449145101 /nfs/dbraw/zinc/14/51/01/449145101.db2.gz AGNCBVQPQTYYJF-QGZVFWFLSA-N 1 1 349.387 1.779 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595748572 449145102 /nfs/dbraw/zinc/14/51/02/449145102.db2.gz AGNCBVQPQTYYJF-QGZVFWFLSA-N 1 1 349.387 1.779 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595753578 449147974 /nfs/dbraw/zinc/14/79/74/449147974.db2.gz ZCPDOGWHWFBFDM-WMLDXEAASA-N 1 1 336.388 1.571 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590602844 449216886 /nfs/dbraw/zinc/21/68/86/449216886.db2.gz YYGHKESAMOYROR-UKRRQHHQSA-N 1 1 331.376 1.427 20 5 EDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000604198019 449189995 /nfs/dbraw/zinc/18/99/95/449189995.db2.gz DOVNSVNFUQYALY-CYBMUJFWSA-N 1 1 329.360 1.605 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593854656 449238886 /nfs/dbraw/zinc/23/88/86/449238886.db2.gz BWULBUVDHLTXOX-CQSZACIVSA-N 1 1 333.388 1.411 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593854656 449238895 /nfs/dbraw/zinc/23/88/95/449238895.db2.gz BWULBUVDHLTXOX-CQSZACIVSA-N 1 1 333.388 1.411 20 5 EDBDMO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000611276776 449246971 /nfs/dbraw/zinc/24/69/71/449246971.db2.gz IJTBGYGUFAEJAB-TXEJJXNPSA-N 1 1 348.355 1.791 20 5 EDBDMO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CCC[N@@H+]3CCCO)c2c1 ZINC000590707674 449255137 /nfs/dbraw/zinc/25/51/37/449255137.db2.gz SMHGWFTYDUFWEC-ZDUSSCGKSA-N 1 1 331.376 1.797 20 5 EDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000600310984 449314230 /nfs/dbraw/zinc/31/42/30/449314230.db2.gz MMANSHPPPCQSQC-LLVKDONJSA-N 1 1 331.376 1.933 20 5 EDBDMO C[N@@H+]1CCCC[C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000600310984 449314234 /nfs/dbraw/zinc/31/42/34/449314234.db2.gz MMANSHPPPCQSQC-LLVKDONJSA-N 1 1 331.376 1.933 20 5 EDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000600310984 449314237 /nfs/dbraw/zinc/31/42/37/449314237.db2.gz MMANSHPPPCQSQC-LLVKDONJSA-N 1 1 331.376 1.933 20 5 EDBDMO COCC[N@H+]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593421217 449275695 /nfs/dbraw/zinc/27/56/95/449275695.db2.gz MCDYFYZFHRDBLB-UHFFFAOYSA-N 1 1 339.367 1.457 20 5 EDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594026620 449329559 /nfs/dbraw/zinc/32/95/59/449329559.db2.gz FSUACMUCKJHGIF-JKSUJKDBSA-N 1 1 335.404 1.633 20 5 EDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598452035 449402436 /nfs/dbraw/zinc/40/24/36/449402436.db2.gz GEDWLCILNGFGRM-HNNXBMFYSA-N 1 1 349.387 1.031 20 5 EDBDMO Nc1nccc(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598558041 449464725 /nfs/dbraw/zinc/46/47/25/449464725.db2.gz PTRBFQKVODDJGK-GFCCVEGCSA-N 1 1 333.392 1.424 20 5 EDBDMO CC(C)(C(=O)N1CCC[N@@H+](CC2CCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000594357032 449465506 /nfs/dbraw/zinc/46/55/06/449465506.db2.gz WTCBGGUYBDSDEW-UHFFFAOYSA-N 1 1 349.435 1.861 20 5 EDBDMO Cn1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000611931297 449478435 /nfs/dbraw/zinc/47/84/35/449478435.db2.gz MABCMENLQPCCQX-UHFFFAOYSA-N 1 1 327.348 1.414 20 5 EDBDMO C[C@H]1C[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[N@H+]1C ZINC000598599430 449484305 /nfs/dbraw/zinc/48/43/05/449484305.db2.gz OBWNYFSRTNKGQQ-NWDGAFQWSA-N 1 1 336.396 1.116 20 5 EDBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594485252 449549560 /nfs/dbraw/zinc/54/95/60/449549560.db2.gz YEOJQAUFMXYOOK-NWDGAFQWSA-N 1 1 340.405 1.285 20 5 EDBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594485252 449549566 /nfs/dbraw/zinc/54/95/66/449549566.db2.gz YEOJQAUFMXYOOK-NWDGAFQWSA-N 1 1 340.405 1.285 20 5 EDBDMO COCC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000594549532 449572161 /nfs/dbraw/zinc/57/21/61/449572161.db2.gz CHDTZYDMRJDUCC-ZDUSSCGKSA-N 1 1 338.408 2.300 20 5 EDBDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)C1 ZINC000602443961 449592402 /nfs/dbraw/zinc/59/24/02/449592402.db2.gz CNMAMUYURSMNQJ-ZDUSSCGKSA-N 1 1 349.435 1.799 20 5 EDBDMO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602456035 449601512 /nfs/dbraw/zinc/60/15/12/449601512.db2.gz ZKYUSBDSMDWMOU-LBPRGKRZSA-N 1 1 337.424 1.701 20 5 EDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCn2cc[nH+]c2C1 ZINC000601147037 449716077 /nfs/dbraw/zinc/71/60/77/449716077.db2.gz HLKOUHGIEOWIDB-ZETCQYMHSA-N 1 1 330.270 1.971 20 5 EDBDMO Cn1ccnc1[C@@H](NCC[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599085011 449722569 /nfs/dbraw/zinc/72/25/69/449722569.db2.gz IZYBRNBNVPJTDE-CVEARBPZSA-N 1 1 345.403 1.074 20 5 EDBDMO O=[N+]([O-])c1cc(F)cnc1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000601103734 449690831 /nfs/dbraw/zinc/69/08/31/449690831.db2.gz GMWIAJSIZQYFTQ-OAHLLOKOSA-N 1 1 346.362 1.960 20 5 EDBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@@H](O)C2)c(Br)c1 ZINC000599176325 449780511 /nfs/dbraw/zinc/78/05/11/449780511.db2.gz QWAVDMUATHXXOQ-SNVBAGLBSA-N 1 1 330.182 1.836 20 5 EDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c(Br)c1 ZINC000599176325 449780515 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ZINC000599440307 449978101 /nfs/dbraw/zinc/97/81/01/449978101.db2.gz JGLXBYCTZFAYGI-UHFFFAOYSA-N 1 1 331.376 1.515 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000609257773 449984885 /nfs/dbraw/zinc/98/48/85/449984885.db2.gz DQTRZZDRZJWLCE-JKSUJKDBSA-N 1 1 346.387 1.868 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000595354052 450068842 /nfs/dbraw/zinc/06/88/42/450068842.db2.gz MBSYOYBNLMMJNC-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609530852 450042981 /nfs/dbraw/zinc/04/29/81/450042981.db2.gz IVLIIZQZSQRENH-LBPRGKRZSA-N 1 1 349.387 1.970 20 5 EDBDMO CNc1c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000613231697 450093284 /nfs/dbraw/zinc/09/32/84/450093284.db2.gz FGMLUILPRGAVEB-HIFRSBDPSA-N 1 1 348.403 1.308 20 5 EDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)N(C)C ZINC000609845772 450104678 /nfs/dbraw/zinc/10/46/78/450104678.db2.gz OGYFHKHLBFKAMY-UHFFFAOYSA-N 1 1 336.392 1.642 20 5 EDBDMO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000618284565 450115991 /nfs/dbraw/zinc/11/59/91/450115991.db2.gz QBKWVAXAHJZRMQ-LRDDRELGSA-N 1 1 345.403 1.624 20 5 EDBDMO COC(=O)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000610211564 450153401 /nfs/dbraw/zinc/15/34/01/450153401.db2.gz FAHOCMXBAVVHEE-UHFFFAOYSA-N 1 1 332.360 1.857 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599693947 450157366 /nfs/dbraw/zinc/15/73/66/450157366.db2.gz PXNRUSNGQWMJSD-CYBMUJFWSA-N 1 1 327.406 1.356 20 5 EDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000597716265 450217248 /nfs/dbraw/zinc/21/72/48/450217248.db2.gz QIGJJKAZYDGYLN-QGZVFWFLSA-N 1 1 347.371 1.881 20 5 EDBDMO CCCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000610782892 450334412 /nfs/dbraw/zinc/33/44/12/450334412.db2.gz SALIQFHPZNWILR-ZDUSSCGKSA-N 1 1 344.437 1.389 20 5 EDBDMO CCCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000610782892 450334414 /nfs/dbraw/zinc/33/44/14/450334414.db2.gz SALIQFHPZNWILR-ZDUSSCGKSA-N 1 1 344.437 1.389 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[N@H+]1C1CC1 ZINC000610653945 450285926 /nfs/dbraw/zinc/28/59/26/450285926.db2.gz PPUWJGYMHYUNAE-MNOVXSKESA-N 1 1 347.371 1.721 20 5 EDBDMO O=[N+]([O-])c1ncccc1N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603422247 450294737 /nfs/dbraw/zinc/29/47/37/450294737.db2.gz DQQGBWLTYFTCOF-CQSZACIVSA-N 1 1 335.408 1.198 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1(C)C ZINC000619871068 450348318 /nfs/dbraw/zinc/34/83/18/450348318.db2.gz LCDCGUDEKUZNRS-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1(C)C ZINC000619871068 450348320 /nfs/dbraw/zinc/34/83/20/450348320.db2.gz LCDCGUDEKUZNRS-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000610896764 450371606 /nfs/dbraw/zinc/37/16/06/450371606.db2.gz AKFJPVBWBGSNSA-AAEUAGOBSA-N 1 1 347.371 1.880 20 5 EDBDMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610930457 450382963 /nfs/dbraw/zinc/38/29/63/450382963.db2.gz JWQWZHSNDIJJQT-ZDUSSCGKSA-N 1 1 349.387 1.714 20 5 EDBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610930457 450382965 /nfs/dbraw/zinc/38/29/65/450382965.db2.gz JWQWZHSNDIJJQT-ZDUSSCGKSA-N 1 1 349.387 1.714 20 5 EDBDMO Cc1nc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)ncc1[N+](=O)[O-] ZINC000450516941 486730687 /nfs/dbraw/zinc/73/06/87/486730687.db2.gz CWFVSBGEPPVCGX-SWLSCSKDSA-N 1 1 345.407 1.922 20 5 EDBDMO COc1cc(CN2CC[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000187729060 533810742 /nfs/dbraw/zinc/81/07/42/533810742.db2.gz DFHILZYHHYPUTH-NSHDSACASA-N 1 1 327.356 1.241 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000119996513 518155525 /nfs/dbraw/zinc/15/55/25/518155525.db2.gz IKRSMVDBIOFIHJ-SNVBAGLBSA-N 1 1 325.390 1.979 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000119996513 518155529 /nfs/dbraw/zinc/15/55/29/518155529.db2.gz IKRSMVDBIOFIHJ-SNVBAGLBSA-N 1 1 325.390 1.979 20 5 EDBDMO Cc1noc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000159773110 534448629 /nfs/dbraw/zinc/44/86/29/534448629.db2.gz POHQTIFDXWMOOW-GFCCVEGCSA-N 1 1 333.348 1.328 20 5 EDBDMO O=C(C[N@H+]1CC[C@@]2(CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000153929257 534548010 /nfs/dbraw/zinc/54/80/10/534548010.db2.gz GHYFHZYHHCLHQD-QGZVFWFLSA-N 1 1 331.372 1.596 20 5 EDBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000346730089 536480974 /nfs/dbraw/zinc/48/09/74/536480974.db2.gz OMYCGZLLVULXGK-ZDUSSCGKSA-N 1 1 347.293 1.410 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000173894679 527818169 /nfs/dbraw/zinc/81/81/69/527818169.db2.gz MXZDTSVWJHPUJC-AWEZNQCLSA-N 1 1 346.431 1.758 20 5 EDBDMO CC[NH+]1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000345525614 535692156 /nfs/dbraw/zinc/69/21/56/535692156.db2.gz SHIMKNDEBOQHAF-UHFFFAOYSA-N 1 1 337.424 1.081 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC000726965932 578504075 /nfs/dbraw/zinc/50/40/75/578504075.db2.gz SFGWJTRFGAALJP-STQMWFEESA-N 1 1 329.316 1.373 20 5 EDBDMO Cc1nn(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C)c1[N+](=O)[O-] ZINC000738209244 579172519 /nfs/dbraw/zinc/17/25/19/579172519.db2.gz OSJBBWBEEOHVTK-OAHLLOKOSA-N 1 1 336.440 1.077 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1[N+](=O)[O-] ZINC000777555464 580444456 /nfs/dbraw/zinc/44/44/56/580444456.db2.gz BIWHBXBPUUGFRI-MRXNPFEDSA-N 1 1 327.344 1.653 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1[N+](=O)[O-] ZINC000777555464 580444457 /nfs/dbraw/zinc/44/44/57/580444457.db2.gz BIWHBXBPUUGFRI-MRXNPFEDSA-N 1 1 327.344 1.653 20 5 EDBDMO Cc1n[nH]c(C(=O)NCc2cccnc2-n2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000749736367 579737546 /nfs/dbraw/zinc/73/75/46/579737546.db2.gz DKNZCAYYJDNPPZ-UHFFFAOYSA-N 1 1 341.331 1.445 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000753948826 579892051 /nfs/dbraw/zinc/89/20/51/579892051.db2.gz BBYNHUWSYURWPR-NSHDSACASA-N 1 1 328.394 1.080 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000753948826 579892052 /nfs/dbraw/zinc/89/20/52/579892052.db2.gz BBYNHUWSYURWPR-NSHDSACASA-N 1 1 328.394 1.080 20 5 EDBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000754777745 579911858 /nfs/dbraw/zinc/91/18/58/579911858.db2.gz KFUYZNZIPMGALI-CYBMUJFWSA-N 1 1 346.391 1.406 20 5 EDBDMO O=C1O[C@@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC12CC2 ZINC000763658536 580103572 /nfs/dbraw/zinc/10/35/72/580103572.db2.gz DUWZKCOJXUCYEC-CYBMUJFWSA-N 1 1 331.372 1.813 20 5 EDBDMO Cc1nn(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000767781851 580199363 /nfs/dbraw/zinc/19/93/63/580199363.db2.gz LXYIGADIQPENCW-ZIAGYGMSSA-N 1 1 349.416 1.812 20 5 EDBDMO Cc1nn(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000767781851 580199364 /nfs/dbraw/zinc/19/93/64/580199364.db2.gz LXYIGADIQPENCW-ZIAGYGMSSA-N 1 1 349.416 1.812 20 5 EDBDMO Cc1[nH+]ccn1CCCCOC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000778791823 580472337 /nfs/dbraw/zinc/47/23/37/580472337.db2.gz CLJDAWGKEHMHJM-UHFFFAOYSA-N 1 1 334.332 1.285 20 5 EDBDMO Cc1cc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000781683598 580554765 /nfs/dbraw/zinc/55/47/65/580554765.db2.gz ZZOWDNIPPZPCSX-UHFFFAOYSA-N 1 1 336.392 1.014 20 5 EDBDMO Cc1cc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000781683598 580554766 /nfs/dbraw/zinc/55/47/66/580554766.db2.gz ZZOWDNIPPZPCSX-UHFFFAOYSA-N 1 1 336.392 1.014 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000788383962 580720346 /nfs/dbraw/zinc/72/03/46/580720346.db2.gz OUADPGYPISABMO-MRXNPFEDSA-N 1 1 329.360 1.422 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000790361662 580767506 /nfs/dbraw/zinc/76/75/06/580767506.db2.gz ZRVCKFJSOAKSKT-CZUORRHYSA-N 1 1 336.388 1.898 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000790361662 580767507 /nfs/dbraw/zinc/76/75/07/580767507.db2.gz ZRVCKFJSOAKSKT-CZUORRHYSA-N 1 1 336.388 1.898 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)C1 ZINC000793746412 580854511 /nfs/dbraw/zinc/85/45/11/580854511.db2.gz QMZOXCYTWKGECJ-INIZCTEOSA-N 1 1 332.360 1.488 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000866871503 590781163 /nfs/dbraw/zinc/78/11/63/590781163.db2.gz OCUOJMPMUANKDR-GHMZBOCLSA-N 1 1 345.396 1.803 20 5 EDBDMO COc1c(O)ccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894953661 591498557 /nfs/dbraw/zinc/49/85/57/591498557.db2.gz HDOGLCLPPQDBSE-NEPJUHHUSA-N 1 1 339.392 1.196 20 5 EDBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(Cl)c1 ZINC000897216025 591771165 /nfs/dbraw/zinc/77/11/65/591771165.db2.gz GZNUYYVUQDDONW-CHWSQXEVSA-N 1 1 326.784 1.679 20 5 EDBDMO O=[N+]([O-])c1cc2c(nc1N1CC[C@@H]3[C@@H]1CCC[N@@H+]3CCO)CCCC2 ZINC000897219706 591774368 /nfs/dbraw/zinc/77/43/68/591774368.db2.gz NBZULNGXWPUCMN-CVEARBPZSA-N 1 1 346.431 1.904 20 5 EDBDMO C[N@@H+](CCO)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000899738890 591927411 /nfs/dbraw/zinc/92/74/11/591927411.db2.gz PVNIWQKKFKIKOD-UHFFFAOYSA-N 1 1 335.282 1.268 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1C ZINC000900685748 592094134 /nfs/dbraw/zinc/09/41/34/592094134.db2.gz HEEQIFGOTXNSCR-UHFFFAOYSA-N 1 1 348.403 1.106 20 5 EDBDMO O=[N+]([O-])CCNCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000905098161 592421986 /nfs/dbraw/zinc/42/19/86/592421986.db2.gz ROJQWDZOBQZYGZ-UHFFFAOYSA-N 1 1 326.828 1.718 20 5 EDBDMO CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906955765 592434812 /nfs/dbraw/zinc/43/48/12/592434812.db2.gz IYBPSUAFVVAWQT-YPMHNXCESA-N 1 1 349.387 1.826 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C[C@@H]1C ZINC000907125399 592522019 /nfs/dbraw/zinc/52/20/19/592522019.db2.gz WDDWVRGMQKFTIO-LBPRGKRZSA-N 1 1 349.387 1.922 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C[C@@H]1C ZINC000907125399 592522022 /nfs/dbraw/zinc/52/20/22/592522022.db2.gz WDDWVRGMQKFTIO-LBPRGKRZSA-N 1 1 349.387 1.922 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840175526 593338000 /nfs/dbraw/zinc/33/80/00/593338000.db2.gz VWBCXSVVVZUZKI-GFCCVEGCSA-N 1 1 331.376 1.621 20 5 EDBDMO C[C@@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[N@H+]1C1CC1 ZINC000811811696 593483399 /nfs/dbraw/zinc/48/33/99/593483399.db2.gz DEJMIVYBHGSPCO-ZJUUUORDSA-N 1 1 332.360 1.963 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000817151766 593577222 /nfs/dbraw/zinc/57/72/22/593577222.db2.gz ZRHPJRMQUFBPDS-LLVKDONJSA-N 1 1 347.824 1.963 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820752790 593880888 /nfs/dbraw/zinc/88/08/88/593880888.db2.gz RTODZHQDJHRBRJ-RNCFNFMXSA-N 1 1 329.364 1.670 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821624968 593886407 /nfs/dbraw/zinc/88/64/07/593886407.db2.gz BLWNUXMRVXPZKM-MFKMUULPSA-N 1 1 344.379 1.090 20 5 EDBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000824031629 593912615 /nfs/dbraw/zinc/91/26/15/593912615.db2.gz QFPDMTJNGVKZLG-UHFFFAOYSA-N 1 1 339.367 1.917 20 5 EDBDMO CN(CC[N@@H+](C)CCO)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000825528137 594197715 /nfs/dbraw/zinc/19/77/15/594197715.db2.gz XFCFFKHNTSXZSX-UHFFFAOYSA-N 1 1 327.356 1.049 20 5 EDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826740066 594567603 /nfs/dbraw/zinc/56/76/03/594567603.db2.gz ARVOAHXTOLFYCE-WMLDXEAASA-N 1 1 347.415 1.819 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000831457886 594633964 /nfs/dbraw/zinc/63/39/64/594633964.db2.gz BZNYGSLMUHPXQH-UHFFFAOYSA-N 1 1 347.350 1.113 20 5 EDBDMO O=C(NCc1c[nH+]c2n1CCCC2)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832048235 594722051 /nfs/dbraw/zinc/72/20/51/594722051.db2.gz KLDGCRZLIRAXCB-HNNXBMFYSA-N 1 1 330.344 1.477 20 5 EDBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843995711 595235347 /nfs/dbraw/zinc/23/53/47/595235347.db2.gz SDYGCVPPWWPLLB-LLVKDONJSA-N 1 1 325.752 1.139 20 5 EDBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843995711 595235349 /nfs/dbraw/zinc/23/53/49/595235349.db2.gz SDYGCVPPWWPLLB-LLVKDONJSA-N 1 1 325.752 1.139 20 5 EDBDMO C[C@@H]1COCC[N@H+]1C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846911012 595336539 /nfs/dbraw/zinc/33/65/39/595336539.db2.gz GIIVYGBUEJADFP-RDTXWAMCSA-N 1 1 349.431 1.813 20 5 EDBDMO C[C@@H]1COCCN1C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846911012 595336541 /nfs/dbraw/zinc/33/65/41/595336541.db2.gz GIIVYGBUEJADFP-RDTXWAMCSA-N 1 1 349.431 1.813 20 5 EDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848479798 595390587 /nfs/dbraw/zinc/39/05/87/595390587.db2.gz CBJCBCJPEBLLRN-KGLIPLIRSA-N 1 1 341.371 1.769 20 5 EDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848479798 595390590 /nfs/dbraw/zinc/39/05/90/595390590.db2.gz CBJCBCJPEBLLRN-KGLIPLIRSA-N 1 1 341.371 1.769 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848582448 595409122 /nfs/dbraw/zinc/40/91/22/595409122.db2.gz LKDGYAGFMCHVPB-UHFFFAOYSA-N 1 1 340.286 1.888 20 5 EDBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000860828699 595810094 /nfs/dbraw/zinc/81/00/94/595810094.db2.gz KSYQRJRIRONAHF-KRWDZBQOSA-N 1 1 329.356 1.544 20 5 EDBDMO C[NH+]1CCN(CC2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000858610307 595842328 /nfs/dbraw/zinc/84/23/28/595842328.db2.gz ATQYHYWONJNARX-UHFFFAOYSA-N 1 1 335.364 1.187 20 5 EDBDMO COc1cc(F)c([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000858688179 595865563 /nfs/dbraw/zinc/86/55/63/595865563.db2.gz ZEFPHNUZUJESLQ-ZDUSSCGKSA-N 1 1 340.355 1.494 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000859585801 596139634 /nfs/dbraw/zinc/13/96/34/596139634.db2.gz CTUKAYKTXFSCIR-IAGOWNOFSA-N 1 1 346.387 1.136 20 5 EDBDMO O=C1CC2(CCOCC2)[N@H+](Cc2csc([N+](=O)[O-])c2)CCN1 ZINC000872290055 596869906 /nfs/dbraw/zinc/86/99/06/596869906.db2.gz VGLWHQNUVFQSQQ-UHFFFAOYSA-N 1 1 325.390 1.527 20 5 EDBDMO O=C1CC2(CCOCC2)[N@@H+](Cc2csc([N+](=O)[O-])c2)CCN1 ZINC000872290055 596869909 /nfs/dbraw/zinc/86/99/09/596869909.db2.gz VGLWHQNUVFQSQQ-UHFFFAOYSA-N 1 1 325.390 1.527 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000874173138 596952404 /nfs/dbraw/zinc/95/24/04/596952404.db2.gz FTDDTPJWBSECCB-WFASDCNBSA-N 1 1 346.387 1.394 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c([N+](=O)[O-])s1 ZINC000872665264 597021154 /nfs/dbraw/zinc/02/11/54/597021154.db2.gz PFMGMBMAHUSQAQ-GHMZBOCLSA-N 1 1 345.446 1.822 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c([N+](=O)[O-])s1 ZINC000872665264 597021156 /nfs/dbraw/zinc/02/11/56/597021156.db2.gz PFMGMBMAHUSQAQ-GHMZBOCLSA-N 1 1 345.446 1.822 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874363118 597033995 /nfs/dbraw/zinc/03/39/95/597033995.db2.gz LRZKPNZMTGHLDF-LSDHHAIUSA-N 1 1 346.387 1.537 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000872779057 597064281 /nfs/dbraw/zinc/06/42/81/597064281.db2.gz DKHNFKVXKNJJNB-KGLIPLIRSA-N 1 1 329.360 1.917 20 5 EDBDMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873136237 597208056 /nfs/dbraw/zinc/20/80/56/597208056.db2.gz XTCTWJMCAUEQSN-GXTWGEPZSA-N 1 1 328.390 1.113 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574229 597637583 /nfs/dbraw/zinc/63/75/83/597637583.db2.gz BKOFTIPCXYRTER-CZUORRHYSA-N 1 1 332.404 1.868 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000129287812 597767286 /nfs/dbraw/zinc/76/72/86/597767286.db2.gz KYLPZRICRULPGL-OCCSQVGLSA-N 1 1 346.387 1.876 20 5 EDBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000880328342 597902689 /nfs/dbraw/zinc/90/26/89/597902689.db2.gz ARGZTXQBWUCLBK-QRTARXTBSA-N 1 1 334.372 1.903 20 5 EDBDMO CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000882490379 597975089 /nfs/dbraw/zinc/97/50/89/597975089.db2.gz OFLDVRVDSNONBS-NHYWBVRUSA-N 1 1 332.360 1.298 20 5 EDBDMO Cc1[nH]c(Cn2cc(Br)cc([N+](=O)[O-])c2=O)c(C)[nH+]1 ZINC000917227564 696976381 /nfs/dbraw/zinc/97/63/81/696976381.db2.gz DYFMZYNEWRSPPJ-UHFFFAOYSA-N 1 1 327.138 1.907 20 5 EDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000154977674 697282593 /nfs/dbraw/zinc/28/25/93/697282593.db2.gz KANFZIBMXAECIP-CYBMUJFWSA-N 1 1 341.375 1.906 20 5 EDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)cn1 ZINC001031625542 697359894 /nfs/dbraw/zinc/35/98/94/697359894.db2.gz LVKHFZKOWQYRGX-UHFFFAOYSA-N 1 1 344.346 1.991 20 5 EDBDMO O=C(NCC1CN(Cc2nc3ccccc3o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661980 697437055 /nfs/dbraw/zinc/43/70/55/697437055.db2.gz POWUGTIYMCAWAN-DGCLKSJQSA-N 1 1 330.344 1.041 20 5 EDBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000070711218 701036703 /nfs/dbraw/zinc/03/67/03/701036703.db2.gz PZNNWSDEEWYOEA-UHFFFAOYSA-N 1 1 348.403 1.209 20 5 EDBDMO Cc1nc[nH]c1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001032230091 704935698 /nfs/dbraw/zinc/93/56/98/704935698.db2.gz ZXWQPUASWOVYMI-UHFFFAOYSA-N 1 1 329.360 1.488 20 5 EDBDMO O=C(C[NH+]1CCCC1)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001004148839 711562308 /nfs/dbraw/zinc/56/23/08/711562308.db2.gz WIUPTWNNDPEXPI-UHFFFAOYSA-N 1 1 346.431 1.771 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000557627435 306231169 /nfs/dbraw/zinc/23/11/69/306231169.db2.gz UWELVSKKERRYSG-HUUCEWRRSA-N 1 1 335.360 1.209 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000173741440 231020241 /nfs/dbraw/zinc/02/02/41/231020241.db2.gz RXZHFDGRKWISBK-KRWDZBQOSA-N 1 1 346.387 1.770 20 5 EDBDMO Cc1sc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000174172037 231138771 /nfs/dbraw/zinc/13/87/71/231138771.db2.gz PXAFLEFYBUYWSX-GFCCVEGCSA-N 1 1 339.417 1.759 20 5 EDBDMO CC[C@]1(CO)CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000187621761 529423880 /nfs/dbraw/zinc/42/38/80/529423880.db2.gz BFIKYLMEAPBBQT-SFHVURJKSA-N 1 1 347.415 1.968 20 5 EDBDMO CC[C@]1(CO)CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000187621761 529423882 /nfs/dbraw/zinc/42/38/82/529423882.db2.gz BFIKYLMEAPBBQT-SFHVURJKSA-N 1 1 347.415 1.968 20 5 EDBDMO CCc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)c1[N+](=O)[O-] ZINC000171679821 529465539 /nfs/dbraw/zinc/46/55/39/529465539.db2.gz DARANCZJWNWWBK-UHFFFAOYSA-N 1 1 349.391 1.986 20 5 EDBDMO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000174723313 529468625 /nfs/dbraw/zinc/46/86/25/529468625.db2.gz JZVJELKNNRGUSQ-LBPRGKRZSA-N 1 1 335.408 1.875 20 5 EDBDMO CN(CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000155073297 529829638 /nfs/dbraw/zinc/82/96/38/529829638.db2.gz ZATCUUUXSMFCBW-GJZGRUSLSA-N 1 1 346.431 1.974 20 5 EDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCCC[C@@H]1O ZINC000181471783 529829986 /nfs/dbraw/zinc/82/99/86/529829986.db2.gz POJCIBAKKJTQHG-PBHICJAKSA-N 1 1 347.415 1.967 20 5 EDBDMO C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000183601233 235158692 /nfs/dbraw/zinc/15/86/92/235158692.db2.gz NWQWLGRTDARCKI-AWEZNQCLSA-N 1 1 346.431 1.722 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000090552818 138279741 /nfs/dbraw/zinc/27/97/41/138279741.db2.gz KBIGHEQCHMASHP-OAHLLOKOSA-N 1 1 330.344 1.305 20 5 EDBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000124671079 138328770 /nfs/dbraw/zinc/32/87/70/138328770.db2.gz AGSKEXZXBDYRPW-BETUJISGSA-N 1 1 325.390 1.251 20 5 EDBDMO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+](C)C1 ZINC000413500984 304064240 /nfs/dbraw/zinc/06/42/40/304064240.db2.gz OZPUGUDUDYMFHC-LBPRGKRZSA-N 1 1 344.371 1.684 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000080718668 217329031 /nfs/dbraw/zinc/32/90/31/217329031.db2.gz LJSJEIQRSWSTIP-AGUYFDCRSA-N 1 1 335.408 1.621 20 5 EDBDMO COc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246738895 139119644 /nfs/dbraw/zinc/11/96/44/139119644.db2.gz NVJWNKXEFREBAE-NVXWUHKLSA-N 1 1 346.387 1.998 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248502054 139166362 /nfs/dbraw/zinc/16/63/62/139166362.db2.gz UCMLTKIWMWJEIN-DAOPMYJZSA-N 1 1 341.433 1.931 20 5 EDBDMO CNC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000421371379 251840884 /nfs/dbraw/zinc/84/08/84/251840884.db2.gz COKSFWJZEPNERJ-VIFPVBQESA-N 1 1 329.303 1.764 20 5 EDBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000421371379 251840889 /nfs/dbraw/zinc/84/08/89/251840889.db2.gz COKSFWJZEPNERJ-VIFPVBQESA-N 1 1 329.303 1.764 20 5 EDBDMO Cc1[nH]nc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000424049272 252124643 /nfs/dbraw/zinc/12/46/43/252124643.db2.gz ZLOVEHOANQDRRR-OLZOCXBDSA-N 1 1 347.350 1.722 20 5 EDBDMO Cc1nn(CCC(=O)NCC[N@@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000263989282 139374125 /nfs/dbraw/zinc/37/41/25/139374125.db2.gz NESZUVJRCCYOPQ-LBPRGKRZSA-N 1 1 337.424 1.646 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000119346157 221300404 /nfs/dbraw/zinc/30/04/04/221300404.db2.gz WMEPAYOLSQTVOS-KGLIPLIRSA-N 1 1 335.408 1.433 20 5 EDBDMO O=C(NCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000119770323 221396593 /nfs/dbraw/zinc/39/65/93/221396593.db2.gz VWTITTJMUWQVOK-UHFFFAOYSA-N 1 1 344.371 1.595 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000270357345 140085424 /nfs/dbraw/zinc/08/54/24/140085424.db2.gz HZHLHIKGCQLLHJ-UHFFFAOYSA-N 1 1 335.404 1.822 20 5 EDBDMO CC1=CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000270388661 140090691 /nfs/dbraw/zinc/09/06/91/140090691.db2.gz XRYQGXKVQXICJN-UHFFFAOYSA-N 1 1 344.415 1.895 20 5 EDBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1O ZINC000270971692 140210726 /nfs/dbraw/zinc/21/07/26/140210726.db2.gz WGQRSNCNYUKGHV-FZMZJTMJSA-N 1 1 337.376 1.635 20 5 EDBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000572036257 306580402 /nfs/dbraw/zinc/58/04/02/306580402.db2.gz PVNMMOZQVJFOHN-UHFFFAOYSA-N 1 1 335.751 1.934 20 5 EDBDMO C[C@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1O ZINC000332027184 141112696 /nfs/dbraw/zinc/11/26/96/141112696.db2.gz HJCUIATUTUACQR-SMDDNHRTSA-N 1 1 335.360 1.596 20 5 EDBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000332100225 141122966 /nfs/dbraw/zinc/12/29/66/141122966.db2.gz PYDWNKVQEJKULS-UHFFFAOYSA-N 1 1 331.376 1.762 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000339388258 142034228 /nfs/dbraw/zinc/03/42/28/142034228.db2.gz ZSABPQXBXHPFBU-IRXDYDNUSA-N 1 1 335.404 1.769 20 5 EDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000345687059 143121452 /nfs/dbraw/zinc/12/14/52/143121452.db2.gz YGYIUVMOQIOVRN-LLVKDONJSA-N 1 1 340.355 1.654 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346136963 143171518 /nfs/dbraw/zinc/17/15/18/143171518.db2.gz FJKIYFSDITYIIX-YRGRVCCFSA-N 1 1 335.408 1.288 20 5 EDBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000347070927 143278950 /nfs/dbraw/zinc/27/89/50/143278950.db2.gz DUHYPBYKSHOOSB-JSGCOSHPSA-N 1 1 343.387 1.894 20 5 EDBDMO C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000347104140 143283134 /nfs/dbraw/zinc/28/31/34/143283134.db2.gz ZBMIRUWRHDXYSI-RISCZKNCSA-N 1 1 347.371 1.868 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000353055729 149268720 /nfs/dbraw/zinc/26/87/20/149268720.db2.gz GXFNRCDQFOIXKJ-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1nc(CC[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000353203035 149322947 /nfs/dbraw/zinc/32/29/47/149322947.db2.gz QBZFZGHTRQWKKD-UHFFFAOYSA-N 1 1 333.348 1.789 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000354932420 150040072 /nfs/dbraw/zinc/04/00/72/150040072.db2.gz RLMCTCJLSHOKID-WCQYABFASA-N 1 1 338.360 1.349 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000355651578 150350549 /nfs/dbraw/zinc/35/05/49/150350549.db2.gz BCZVSZHLTDRBAC-GFCCVEGCSA-N 1 1 337.376 1.444 20 5 EDBDMO NC(=O)c1ccnc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000357508893 151051909 /nfs/dbraw/zinc/05/19/09/151051909.db2.gz IRHKMNBDXKWYFM-GFCCVEGCSA-N 1 1 333.392 1.765 20 5 EDBDMO CC[C@H]1CN(c2c([N+](=O)[O-])nc(C)n2CC)CC[N@H+]1CCOC ZINC000360903880 152247384 /nfs/dbraw/zinc/24/73/84/152247384.db2.gz LFFWVXYEZFZTGN-ZDUSSCGKSA-N 1 1 325.413 1.667 20 5 EDBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[N@@H+]1CCO ZINC000417160278 304379206 /nfs/dbraw/zinc/37/92/06/304379206.db2.gz PGNVWPJAZGNSBY-MNOVXSKESA-N 1 1 340.355 1.653 20 5 EDBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[N@H+]1CCO ZINC000417160278 304379207 /nfs/dbraw/zinc/37/92/07/304379207.db2.gz PGNVWPJAZGNSBY-MNOVXSKESA-N 1 1 340.355 1.653 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(CC(=O)NC(C)C)CC1 ZINC000363893791 153088315 /nfs/dbraw/zinc/08/83/15/153088315.db2.gz YKTSFCQRHXJQKV-UHFFFAOYSA-N 1 1 348.447 1.936 20 5 EDBDMO CCc1n[nH]c(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000370222700 155385063 /nfs/dbraw/zinc/38/50/63/155385063.db2.gz MWYWZLFQSIORMU-OCCSQVGLSA-N 1 1 343.387 1.708 20 5 EDBDMO O=C(C[N@H+]1CC[C@]2(C1)CCCOC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000367451795 154127369 /nfs/dbraw/zinc/12/73/69/154127369.db2.gz RSQTYVNDUCOLGK-SFHVURJKSA-N 1 1 345.399 1.986 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000367694054 154232226 /nfs/dbraw/zinc/23/22/26/154232226.db2.gz BAFOCCIWPUMKMP-ZBFHGGJFSA-N 1 1 332.404 1.873 20 5 EDBDMO CCOC(=O)c1ccnc(N[C@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000369559062 155087566 /nfs/dbraw/zinc/08/75/66/155087566.db2.gz NOTWRFDNLCTONO-JTQLQIEISA-N 1 1 331.332 1.790 20 5 EDBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000372295251 156317439 /nfs/dbraw/zinc/31/74/39/156317439.db2.gz QWCHSVUOXRLMJO-OAHLLOKOSA-N 1 1 342.355 1.059 20 5 EDBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000372295251 156317441 /nfs/dbraw/zinc/31/74/41/156317441.db2.gz QWCHSVUOXRLMJO-OAHLLOKOSA-N 1 1 342.355 1.059 20 5 EDBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000373590795 156919246 /nfs/dbraw/zinc/91/92/46/156919246.db2.gz DKZDVBZKBJSETR-UHFFFAOYSA-N 1 1 344.375 1.309 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000373871980 157042798 /nfs/dbraw/zinc/04/27/98/157042798.db2.gz QZZLWXIKOQOGMB-CQSZACIVSA-N 1 1 344.375 1.431 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000374093412 157139547 /nfs/dbraw/zinc/13/95/47/157139547.db2.gz RGTBRZZXGTYVRM-BETUJISGSA-N 1 1 335.360 1.795 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000374093412 157139555 /nfs/dbraw/zinc/13/95/55/157139555.db2.gz RGTBRZZXGTYVRM-BETUJISGSA-N 1 1 335.360 1.795 20 5 EDBDMO CN(Cc1ccccc1[N+](=O)[O-])c1cc[nH+]c(N2CCOCC2)n1 ZINC000352385456 162153849 /nfs/dbraw/zinc/15/38/49/162153849.db2.gz HRUJVBITUMSTQL-UHFFFAOYSA-N 1 1 329.360 1.858 20 5 EDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)CC2 ZINC000088616503 287319558 /nfs/dbraw/zinc/31/95/58/287319558.db2.gz ZXYPHZAOGZYWON-IRXDYDNUSA-N 1 1 336.388 1.509 20 5 EDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COC[C@@H]1CCCO1)CC2 ZINC000088616503 287319559 /nfs/dbraw/zinc/31/95/59/287319559.db2.gz ZXYPHZAOGZYWON-IRXDYDNUSA-N 1 1 336.388 1.509 20 5 EDBDMO CCOc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC000194724583 273005655 /nfs/dbraw/zinc/00/56/55/273005655.db2.gz KNROQRDHMQZWOY-NSHDSACASA-N 1 1 337.376 1.826 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273480209 268048301 /nfs/dbraw/zinc/04/83/01/268048301.db2.gz MKTXVTUYHQZFSN-LLVKDONJSA-N 1 1 342.421 1.020 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273525150 268058669 /nfs/dbraw/zinc/05/86/69/268058669.db2.gz XMVIMMAWRLZQDD-SKDRFNHKSA-N 1 1 340.405 1.137 20 5 EDBDMO Cc1nnc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000273623820 268067753 /nfs/dbraw/zinc/06/77/53/268067753.db2.gz RBBOBQHQIRMHDQ-ONGXEEELSA-N 1 1 338.389 1.845 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000274057483 268103536 /nfs/dbraw/zinc/10/35/36/268103536.db2.gz ZOUAFOJSSWJHBK-IUODEOHRSA-N 1 1 341.433 1.946 20 5 EDBDMO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000274647371 268175327 /nfs/dbraw/zinc/17/53/27/268175327.db2.gz DPLAPAMXNFURFZ-LLVKDONJSA-N 1 1 345.396 1.885 20 5 EDBDMO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000274647371 268175330 /nfs/dbraw/zinc/17/53/30/268175330.db2.gz DPLAPAMXNFURFZ-LLVKDONJSA-N 1 1 345.396 1.885 20 5 EDBDMO O=C(NCC[N@@H+]1CCCOCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000275828757 268375671 /nfs/dbraw/zinc/37/56/71/268375671.db2.gz KQXFSKTUXYNKAM-UHFFFAOYSA-N 1 1 343.330 1.525 20 5 EDBDMO O=C(NCC[N@H+]1CCCOCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000275828757 268375672 /nfs/dbraw/zinc/37/56/72/268375672.db2.gz KQXFSKTUXYNKAM-UHFFFAOYSA-N 1 1 343.330 1.525 20 5 EDBDMO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000276330026 268418123 /nfs/dbraw/zinc/41/81/23/268418123.db2.gz PSJRNTQZICRGNW-JTQLQIEISA-N 1 1 345.315 1.692 20 5 EDBDMO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCCC[NH+]1CCOCC1 ZINC000102889029 272918603 /nfs/dbraw/zinc/91/86/03/272918603.db2.gz FNKYKQAHQYVJGD-HWKANZROSA-N 1 1 337.351 1.586 20 5 EDBDMO C[C@H]1C[NH+](C[C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)O1 ZINC000160468719 272929808 /nfs/dbraw/zinc/92/98/08/272929808.db2.gz NBQBXOYPFIOEFS-SRVKXCTJSA-N 1 1 336.396 1.045 20 5 EDBDMO Cc1noc([C@@]2(O)CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000277461741 273200744 /nfs/dbraw/zinc/20/07/44/273200744.db2.gz OZMNVRYDYVJAGM-OAHLLOKOSA-N 1 1 334.332 1.259 20 5 EDBDMO Cc1noc([C@@]2(O)CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000277461741 273200746 /nfs/dbraw/zinc/20/07/46/273200746.db2.gz OZMNVRYDYVJAGM-OAHLLOKOSA-N 1 1 334.332 1.259 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)c1 ZINC000283898742 274002757 /nfs/dbraw/zinc/00/27/57/274002757.db2.gz JAEQATQWEPDQQX-GFCCVEGCSA-N 1 1 337.376 1.444 20 5 EDBDMO CS[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000270406100 274181574 /nfs/dbraw/zinc/18/15/74/274181574.db2.gz ADJUAMPZKMRWQO-QWHCGFSZSA-N 1 1 349.416 1.589 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000284740026 274313255 /nfs/dbraw/zinc/31/32/55/274313255.db2.gz UPOFZPKQJPWAKV-JJGIJDNGSA-N 1 1 333.388 1.786 20 5 EDBDMO O=c1[nH]c(N2CC[NH+]([C@@H]3CCOC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000376404239 275038976 /nfs/dbraw/zinc/03/89/76/275038976.db2.gz WGABLKTWCMEAOQ-GFCCVEGCSA-N 1 1 345.359 1.155 20 5 EDBDMO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+]1CCOC ZINC000346586425 276030759 /nfs/dbraw/zinc/03/07/59/276030759.db2.gz LJUCIPHCMPTFHQ-CYBMUJFWSA-N 1 1 338.408 1.506 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000267162013 276164756 /nfs/dbraw/zinc/16/47/56/276164756.db2.gz JMYLPQGPKWXZLN-UHFFFAOYSA-N 1 1 341.433 1.928 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000267162013 276164757 /nfs/dbraw/zinc/16/47/57/276164757.db2.gz JMYLPQGPKWXZLN-UHFFFAOYSA-N 1 1 341.433 1.928 20 5 EDBDMO C[N@@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000272540178 277110065 /nfs/dbraw/zinc/11/00/65/277110065.db2.gz RNXPDEHWEMBQGG-UHFFFAOYSA-N 1 1 341.433 1.493 20 5 EDBDMO C[N@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000272540178 277110067 /nfs/dbraw/zinc/11/00/67/277110067.db2.gz RNXPDEHWEMBQGG-UHFFFAOYSA-N 1 1 341.433 1.493 20 5 EDBDMO Cn1cc([C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2C(N)=O)cn1 ZINC000286766940 288081564 /nfs/dbraw/zinc/08/15/64/288081564.db2.gz MUXIXYQWLOISMC-OLZOCXBDSA-N 1 1 347.350 1.168 20 5 EDBDMO C[C@H](C[NH3+])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000347623720 279297475 /nfs/dbraw/zinc/29/74/75/279297475.db2.gz GYLRMNWAQPBHGB-RXMQYKEDSA-N 1 1 328.177 1.527 20 5 EDBDMO C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C[NH+]1CCOCC1 ZINC000265676948 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AZBZQBYHIDDVPQ-CYBMUJFWSA-N 1 1 337.376 1.180 20 5 EDBDMO O=c1[n-]nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)o1 ZINC000295337882 303206441 /nfs/dbraw/zinc/20/64/41/303206441.db2.gz MUSWCFDAVARQAQ-SNVBAGLBSA-N 1 1 349.303 1.559 20 5 EDBDMO O=c1[n-]nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)o1 ZINC000295337882 303206442 /nfs/dbraw/zinc/20/64/42/303206442.db2.gz MUSWCFDAVARQAQ-SNVBAGLBSA-N 1 1 349.303 1.559 20 5 EDBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423600365 304900851 /nfs/dbraw/zinc/90/08/51/304900851.db2.gz CTRRWDGOBMVYBX-GFCCVEGCSA-N 1 1 331.332 1.113 20 5 EDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423980259 304922119 /nfs/dbraw/zinc/92/21/19/304922119.db2.gz YMRFUGHSWVRFDB-INIZCTEOSA-N 1 1 326.356 1.705 20 5 EDBDMO CC(C)([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000429249529 305026639 /nfs/dbraw/zinc/02/66/39/305026639.db2.gz BQHONLACCJMQRE-UHFFFAOYSA-N 1 1 327.344 1.956 20 5 EDBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000432935171 305097963 /nfs/dbraw/zinc/09/79/63/305097963.db2.gz ZMERIJLZUOJISY-UHFFFAOYSA-N 1 1 334.380 1.185 20 5 EDBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000432935171 305097964 /nfs/dbraw/zinc/09/79/64/305097964.db2.gz ZMERIJLZUOJISY-UHFFFAOYSA-N 1 1 334.380 1.185 20 5 EDBDMO CCOc1ccc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000438785897 305189176 /nfs/dbraw/zinc/18/91/76/305189176.db2.gz XEPLNZOEGOIQQN-OAHLLOKOSA-N 1 1 334.376 1.683 20 5 EDBDMO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000444546615 305250247 /nfs/dbraw/zinc/25/02/47/305250247.db2.gz HNVIEWSGCDKNLA-NSHDSACASA-N 1 1 339.367 1.651 20 5 EDBDMO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000444546615 305250248 /nfs/dbraw/zinc/25/02/48/305250248.db2.gz HNVIEWSGCDKNLA-NSHDSACASA-N 1 1 339.367 1.651 20 5 EDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000449571557 305314127 /nfs/dbraw/zinc/31/41/27/305314127.db2.gz GVIBJNPCGZIEPM-MRXNPFEDSA-N 1 1 347.350 1.554 20 5 EDBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000450572594 305329826 /nfs/dbraw/zinc/32/98/26/305329826.db2.gz VBZOVCLBLASGKN-VHSXEESVSA-N 1 1 325.340 1.907 20 5 EDBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000450572594 305329827 /nfs/dbraw/zinc/32/98/27/305329827.db2.gz VBZOVCLBLASGKN-VHSXEESVSA-N 1 1 325.340 1.907 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccccc1 ZINC000452007869 305377903 /nfs/dbraw/zinc/37/79/03/305377903.db2.gz RMXCIUKEVOKFEJ-HZPDHXFCSA-N 1 1 344.371 1.680 20 5 EDBDMO COc1ccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)nc1 ZINC000452060188 305381299 /nfs/dbraw/zinc/38/12/99/305381299.db2.gz QOORUPBWPKVERY-UHFFFAOYSA-N 1 1 332.364 1.017 20 5 EDBDMO COc1cccc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000452349255 305391513 /nfs/dbraw/zinc/39/15/13/305391513.db2.gz BIBPKMRDLMYLCQ-GFCCVEGCSA-N 1 1 337.376 1.180 20 5 EDBDMO CCc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452357764 305392175 /nfs/dbraw/zinc/39/21/75/305392175.db2.gz FKXCSNXISVKYID-OAHLLOKOSA-N 1 1 335.404 1.734 20 5 EDBDMO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1[N+](=O)[O-] ZINC000452388999 305397162 /nfs/dbraw/zinc/39/71/62/305397162.db2.gz KUQHEOKFGJNHKJ-LLVKDONJSA-N 1 1 339.396 1.018 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000489946727 305566924 /nfs/dbraw/zinc/56/69/24/305566924.db2.gz MXCKQEPAXGMWIM-NSHDSACASA-N 1 1 333.348 1.148 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000543579030 306065098 /nfs/dbraw/zinc/06/50/98/306065098.db2.gz LZJKJUBWZYJKFE-CQSZACIVSA-N 1 1 334.420 1.879 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@H+]1C ZINC000449939797 447416720 /nfs/dbraw/zinc/41/67/20/447416720.db2.gz KDJFDNBMVPDNEY-TZMCWYRMSA-N 1 1 343.387 1.993 20 5 EDBDMO COC(=O)c1cc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000057717969 441131344 /nfs/dbraw/zinc/13/13/44/441131344.db2.gz MRYZOBJHLFLLPE-SNVBAGLBSA-N 1 1 335.360 1.594 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000047405017 441183439 /nfs/dbraw/zinc/18/34/39/441183439.db2.gz SRFQBUBSGLETAM-LLVKDONJSA-N 1 1 342.421 1.386 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000047146550 441159380 /nfs/dbraw/zinc/15/93/80/441159380.db2.gz YGWUFWFVNRWSQS-NSHDSACASA-N 1 1 331.376 1.933 20 5 EDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000047633037 441212743 /nfs/dbraw/zinc/21/27/43/441212743.db2.gz PFVWHMUSWKCANE-MRXNPFEDSA-N 1 1 347.415 1.851 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000072936505 441277373 /nfs/dbraw/zinc/27/73/73/441277373.db2.gz NCNRKWVWWYIHOM-CYBMUJFWSA-N 1 1 349.387 1.509 20 5 EDBDMO CCCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(N)=O ZINC000063500173 441334024 /nfs/dbraw/zinc/33/40/24/441334024.db2.gz UQPJSBSRDSDVID-UHFFFAOYSA-N 1 1 336.392 1.819 20 5 EDBDMO Cn1cc(C(=O)N2CC[NH+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064670296 441389199 /nfs/dbraw/zinc/38/91/99/441389199.db2.gz GWEHISXKILWCBT-UHFFFAOYSA-N 1 1 329.360 1.383 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])n1C ZINC000074095023 441390738 /nfs/dbraw/zinc/39/07/38/441390738.db2.gz VGIFQAOEYWITCL-CMDGGOBGSA-N 1 1 329.360 1.724 20 5 EDBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])c2)CC1 ZINC000026123450 441366864 /nfs/dbraw/zinc/36/68/64/441366864.db2.gz NQJIIRDERTWYQT-CQSZACIVSA-N 1 1 343.387 1.697 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cnn(C)c1 ZINC000026256891 441372501 /nfs/dbraw/zinc/37/25/01/441372501.db2.gz IHXZYIMBQPKNCS-UHFFFAOYSA-N 1 1 347.375 1.798 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000052365340 441448820 /nfs/dbraw/zinc/44/88/20/441448820.db2.gz MAGVNZXEOWIYHU-UHFFFAOYSA-N 1 1 331.332 1.163 20 5 EDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000074327789 441423279 /nfs/dbraw/zinc/42/32/79/441423279.db2.gz MAKTYOJGJNNZFZ-CQSZACIVSA-N 1 1 335.408 1.372 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000065720100 441478095 /nfs/dbraw/zinc/47/80/95/441478095.db2.gz ZQEZHZFFHRKMMR-UHFFFAOYSA-N 1 1 345.403 1.738 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108406223 441452987 /nfs/dbraw/zinc/45/29/87/441452987.db2.gz AAPQIFRDABVWKV-LBPRGKRZSA-N 1 1 327.406 1.523 20 5 EDBDMO O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000085857482 441453591 /nfs/dbraw/zinc/45/35/91/441453591.db2.gz OKGVXZDTVYFSOG-DLBZAZTESA-N 1 1 349.431 1.895 20 5 EDBDMO CN(C)CC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075802018 441555748 /nfs/dbraw/zinc/55/57/48/441555748.db2.gz MVDHREZTYIOLIP-UHFFFAOYSA-N 1 1 335.408 1.742 20 5 EDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066811616 441571081 /nfs/dbraw/zinc/57/10/81/441571081.db2.gz QSVWKOCLAPPQGW-GASCZTMLSA-N 1 1 333.436 1.985 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000068095861 441729514 /nfs/dbraw/zinc/72/95/14/441729514.db2.gz PKSJOOKCCPLMDK-CYBMUJFWSA-N 1 1 333.388 1.920 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC[C@@H](C)O ZINC000173571879 441794968 /nfs/dbraw/zinc/79/49/68/441794968.db2.gz WNKOFVJMKOVXEH-MNOVXSKESA-N 1 1 325.365 1.633 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CC[C@@H](C)O ZINC000173571879 441794971 /nfs/dbraw/zinc/79/49/71/441794971.db2.gz WNKOFVJMKOVXEH-MNOVXSKESA-N 1 1 325.365 1.633 20 5 EDBDMO C[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000068913562 441866962 /nfs/dbraw/zinc/86/69/62/441866962.db2.gz BITIZMVSZFOBRG-SECBINFHSA-N 1 1 328.394 1.137 20 5 EDBDMO CCc1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000174016918 441878400 /nfs/dbraw/zinc/87/84/00/441878400.db2.gz 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C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000176242531 442198782 /nfs/dbraw/zinc/19/87/82/442198782.db2.gz NVZLETRPPDUDMZ-AWEZNQCLSA-N 1 1 347.350 1.668 20 5 EDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000176242531 442198783 /nfs/dbraw/zinc/19/87/83/442198783.db2.gz NVZLETRPPDUDMZ-AWEZNQCLSA-N 1 1 347.350 1.668 20 5 EDBDMO Cc1ccnc(N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000127050359 442164963 /nfs/dbraw/zinc/16/49/63/442164963.db2.gz UREZJEAHSIAIIN-HNNXBMFYSA-N 1 1 333.436 1.905 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1C[C@@H](C)O ZINC000176936579 442275471 /nfs/dbraw/zinc/27/54/71/442275471.db2.gz YSNQABQSPJFLNV-VXGBXAGGSA-N 1 1 336.392 1.094 20 5 EDBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)c1[N+](=O)[O-] ZINC000176995773 442282260 /nfs/dbraw/zinc/28/22/60/442282260.db2.gz DEORJDIJXOWEHL-UHFFFAOYSA-N 1 1 335.408 1.727 20 5 EDBDMO COC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000177476963 442346893 /nfs/dbraw/zinc/34/68/93/442346893.db2.gz UMKHCHSEBOEJMW-INIZCTEOSA-N 1 1 335.360 1.727 20 5 EDBDMO COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000177476963 442346894 /nfs/dbraw/zinc/34/68/94/442346894.db2.gz UMKHCHSEBOEJMW-INIZCTEOSA-N 1 1 335.360 1.727 20 5 EDBDMO CCOC(=O)c1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000154861574 442361297 /nfs/dbraw/zinc/36/12/97/442361297.db2.gz GVUMUBAIIUSIDG-ABAIWWIYSA-N 1 1 337.376 1.903 20 5 EDBDMO CCOC(=O)c1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000154861574 442361299 /nfs/dbraw/zinc/36/12/99/442361299.db2.gz GVUMUBAIIUSIDG-ABAIWWIYSA-N 1 1 337.376 1.903 20 5 EDBDMO C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000133927948 442440875 /nfs/dbraw/zinc/44/08/75/442440875.db2.gz LENYIDDANIITLG-IUODEOHRSA-N 1 1 336.392 1.156 20 5 EDBDMO C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000133927948 442440877 /nfs/dbraw/zinc/44/08/77/442440877.db2.gz LENYIDDANIITLG-IUODEOHRSA-N 1 1 336.392 1.156 20 5 EDBDMO CC(=O)N1CC[C@@H](C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000156738879 442515198 /nfs/dbraw/zinc/51/51/98/442515198.db2.gz BXKXPCUWLWUJRU-AWEZNQCLSA-N 1 1 348.403 1.724 20 5 EDBDMO CSc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000156859853 442528371 /nfs/dbraw/zinc/52/83/71/442528371.db2.gz NMSGPKKMAJKRJQ-GXFFZTMASA-N 1 1 339.417 1.766 20 5 EDBDMO CSc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000156859853 442528372 /nfs/dbraw/zinc/52/83/72/442528372.db2.gz NMSGPKKMAJKRJQ-GXFFZTMASA-N 1 1 339.417 1.766 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC[N@@H+](C)C1CC1 ZINC000186752946 442606506 /nfs/dbraw/zinc/60/65/06/442606506.db2.gz GITSGOCANJESTC-UHFFFAOYSA-N 1 1 336.392 1.568 20 5 EDBDMO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000186937973 442633290 /nfs/dbraw/zinc/63/32/90/442633290.db2.gz XNLSASMUAATUEV-LBPRGKRZSA-N 1 1 336.392 1.904 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000181027874 442675848 /nfs/dbraw/zinc/67/58/48/442675848.db2.gz YKFVSXVIRUBGIZ-UHFFFAOYSA-N 1 1 336.392 1.607 20 5 EDBDMO C[C@@H]1CN(CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000192769598 442685024 /nfs/dbraw/zinc/68/50/24/442685024.db2.gz ZMHSQODOKLZENM-KGLIPLIRSA-N 1 1 335.408 1.197 20 5 EDBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1 ZINC000181389740 442694238 /nfs/dbraw/zinc/69/42/38/442694238.db2.gz DRXMLPBHMNVXQR-IEXSPKMKSA-N 1 1 341.371 1.515 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000182217775 442746498 /nfs/dbraw/zinc/74/64/98/442746498.db2.gz OJDGFSQQBSAEFW-KBPBESRZSA-N 1 1 346.387 1.937 20 5 EDBDMO Cc1c(CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000610968620 450395493 /nfs/dbraw/zinc/39/54/93/450395493.db2.gz JJSDWRBDYPQJAQ-INIZCTEOSA-N 1 1 347.415 1.769 20 5 EDBDMO CN1CCN(CCC[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182968736 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1 337.420 1.608 20 5 EDBDMO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000265943282 442978870 /nfs/dbraw/zinc/97/88/70/442978870.db2.gz GEQMPOKCTPSUMY-HOCLYGCPSA-N 1 1 337.420 1.608 20 5 EDBDMO CN1CCC[C@H](C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265943282 442978876 /nfs/dbraw/zinc/97/88/76/442978876.db2.gz GEQMPOKCTPSUMY-HOCLYGCPSA-N 1 1 337.420 1.608 20 5 EDBDMO CN1CCC[C@H](C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265943282 442978879 /nfs/dbraw/zinc/97/88/79/442978879.db2.gz GEQMPOKCTPSUMY-HOCLYGCPSA-N 1 1 337.420 1.608 20 5 EDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000198414380 443040556 /nfs/dbraw/zinc/04/05/56/443040556.db2.gz RTZJKOTWRXZLPH-UHFFFAOYSA-N 1 1 339.417 1.769 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000190186123 443068092 /nfs/dbraw/zinc/06/80/92/443068092.db2.gz ZVIYHHYRHNEJEH-UHFFFAOYSA-N 1 1 339.417 1.680 20 5 EDBDMO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C(C)(C)C)no1 ZINC000185140822 443145992 /nfs/dbraw/zinc/14/59/92/443145992.db2.gz CMNPAXMYAHPTSO-GXSJLCMTSA-N 1 1 338.368 1.184 20 5 EDBDMO CCN(CC)C(=O)C[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266549352 443165333 /nfs/dbraw/zinc/16/53/33/443165333.db2.gz SYPWJAQHHYNJCK-UHFFFAOYSA-N 1 1 339.392 1.782 20 5 EDBDMO CCN(CC)C(=O)C[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266549352 443165337 /nfs/dbraw/zinc/16/53/37/443165337.db2.gz SYPWJAQHHYNJCK-UHFFFAOYSA-N 1 1 339.392 1.782 20 5 EDBDMO CC(C)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(N)=O ZINC000185179610 443155478 /nfs/dbraw/zinc/15/54/78/443155478.db2.gz YYKQISJLQIKHQH-UHFFFAOYSA-N 1 1 340.355 1.506 20 5 EDBDMO COC(=O)[C@H](C)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185188342 443157162 /nfs/dbraw/zinc/15/71/62/443157162.db2.gz ICQFWZSRIMSVBU-SNVBAGLBSA-N 1 1 341.339 1.803 20 5 EDBDMO COC(=O)[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+](C)C1 ZINC000413493489 319270860 /nfs/dbraw/zinc/27/08/60/319270860.db2.gz FRAHGGUIONRIDL-CYBMUJFWSA-N 1 1 344.371 1.684 20 5 EDBDMO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000246102716 443268687 /nfs/dbraw/zinc/26/86/87/443268687.db2.gz OVLHYEKWUIEUCZ-ZYHUDNBSSA-N 1 1 338.282 1.190 20 5 EDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000246102716 443268692 /nfs/dbraw/zinc/26/86/92/443268692.db2.gz OVLHYEKWUIEUCZ-ZYHUDNBSSA-N 1 1 338.282 1.190 20 5 EDBDMO CN1CC[N@H+](C)C[C@@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278395325 443318219 /nfs/dbraw/zinc/31/82/19/443318219.db2.gz MMTQDHQZUZXFDA-VIFPVBQESA-N 1 1 333.314 1.666 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278395325 443318222 /nfs/dbraw/zinc/31/82/22/443318222.db2.gz MMTQDHQZUZXFDA-VIFPVBQESA-N 1 1 333.314 1.666 20 5 EDBDMO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282404578 443329332 /nfs/dbraw/zinc/32/93/32/443329332.db2.gz FLZNBFAONQFIAP-KGLIPLIRSA-N 1 1 342.367 1.580 20 5 EDBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282404578 443329334 /nfs/dbraw/zinc/32/93/34/443329334.db2.gz FLZNBFAONQFIAP-KGLIPLIRSA-N 1 1 342.367 1.580 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000278602625 443374482 /nfs/dbraw/zinc/37/44/82/443374482.db2.gz ZOGPKJUICFTCMJ-LLVKDONJSA-N 1 1 347.375 1.545 20 5 EDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000264612880 443347767 /nfs/dbraw/zinc/34/77/67/443347767.db2.gz ISIQQDBWXZXLKI-ZDUSSCGKSA-N 1 1 332.404 1.877 20 5 EDBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264656708 443363817 /nfs/dbraw/zinc/36/38/17/443363817.db2.gz UOGNXPKSXRRBFD-UHFFFAOYSA-N 1 1 334.420 1.233 20 5 EDBDMO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269632615 443372389 /nfs/dbraw/zinc/37/23/89/443372389.db2.gz GEKAVRAXTRJQAI-UONOGXRCSA-N 1 1 340.401 1.609 20 5 EDBDMO COC(=O)C[C@H]1CSCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269632615 443372393 /nfs/dbraw/zinc/37/23/93/443372393.db2.gz GEKAVRAXTRJQAI-UONOGXRCSA-N 1 1 340.401 1.609 20 5 EDBDMO CSc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264792929 443428371 /nfs/dbraw/zinc/42/83/71/443428371.db2.gz VCDDOIZKESXBET-LBPRGKRZSA-N 1 1 338.433 1.292 20 5 EDBDMO Cc1c(C(=O)N2CC[N@@H+](C)CC2(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000270960123 443485298 /nfs/dbraw/zinc/48/52/98/443485298.db2.gz XKCVMSSDSFGTOS-UHFFFAOYSA-N 1 1 336.348 1.978 20 5 EDBDMO Cc1c(C(=O)N2CC[N@H+](C)CC2(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000270960123 443485299 /nfs/dbraw/zinc/48/52/99/443485299.db2.gz XKCVMSSDSFGTOS-UHFFFAOYSA-N 1 1 336.348 1.978 20 5 EDBDMO Cc1n[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000271973404 443520044 /nfs/dbraw/zinc/52/00/44/443520044.db2.gz CQFYVUZETKOVCE-NSHDSACASA-N 1 1 331.376 1.877 20 5 EDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272271941 443575551 /nfs/dbraw/zinc/57/55/51/443575551.db2.gz RZNSUXWCUIRRNP-SECBINFHSA-N 1 1 335.389 1.623 20 5 EDBDMO C[N@@H+](CCO)C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000272314666 443589171 /nfs/dbraw/zinc/58/91/71/443589171.db2.gz IRYITOUCYADYQT-UHFFFAOYSA-N 1 1 341.795 1.777 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272428107 443622815 /nfs/dbraw/zinc/62/28/15/443622815.db2.gz IVDWYSLWVQVWQI-IAQYHMDHSA-N 1 1 348.359 1.978 20 5 EDBDMO COCC[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1C ZINC000265332395 443608559 /nfs/dbraw/zinc/60/85/59/443608559.db2.gz YYWHUXXUDBFUTP-GFCCVEGCSA-N 1 1 346.387 1.869 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1C ZINC000265332395 443608564 /nfs/dbraw/zinc/60/85/64/443608564.db2.gz YYWHUXXUDBFUTP-GFCCVEGCSA-N 1 1 346.387 1.869 20 5 EDBDMO CN(C)C(=O)N[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000451989820 320240990 /nfs/dbraw/zinc/24/09/90/320240990.db2.gz IYADYEZOKKRTCH-ZDUSSCGKSA-N 1 1 336.392 1.709 20 5 EDBDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000451989820 320240992 /nfs/dbraw/zinc/24/09/92/320240992.db2.gz IYADYEZOKKRTCH-ZDUSSCGKSA-N 1 1 336.392 1.709 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000453041345 320260786 /nfs/dbraw/zinc/26/07/86/320260786.db2.gz UJWGSAFHPCIFAY-CJNGLKHVSA-N 1 1 332.404 1.949 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000457079711 320319011 /nfs/dbraw/zinc/31/90/11/320319011.db2.gz AKMIYNWLZCMURM-GFCCVEGCSA-N 1 1 348.403 1.308 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000457079711 320319012 /nfs/dbraw/zinc/31/90/12/320319012.db2.gz AKMIYNWLZCMURM-GFCCVEGCSA-N 1 1 348.403 1.308 20 5 EDBDMO NC(=O)[C@]1(O)CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000286292630 443684392 /nfs/dbraw/zinc/68/43/92/443684392.db2.gz TXJSQKJOIHRTAF-INIZCTEOSA-N 1 1 346.343 1.062 20 5 EDBDMO NC(=O)[C@]1(O)CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000286292630 443684394 /nfs/dbraw/zinc/68/43/94/443684394.db2.gz TXJSQKJOIHRTAF-INIZCTEOSA-N 1 1 346.343 1.062 20 5 EDBDMO C[C@@H](CO)[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000280361264 443702728 /nfs/dbraw/zinc/70/27/28/443702728.db2.gz JTBQOISOAJOBMY-ZFWWWQNUSA-N 1 1 338.404 1.817 20 5 EDBDMO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000276482498 443721484 /nfs/dbraw/zinc/72/14/84/443721484.db2.gz OOUMZALWBIQAFS-CYBMUJFWSA-N 1 1 344.327 1.575 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000298465880 443775455 /nfs/dbraw/zinc/77/54/55/443775455.db2.gz IKKVPSNLUHPZGT-HOTGVXAUSA-N 1 1 348.403 1.328 20 5 EDBDMO CNC(=O)[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000281175297 443838927 /nfs/dbraw/zinc/83/89/27/443838927.db2.gz QMKKVRPIIMHUIT-MEDUHNTESA-N 1 1 334.376 1.380 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000285096840 443854944 /nfs/dbraw/zinc/85/49/44/443854944.db2.gz DTSSHKKNPFCDBG-KBPBESRZSA-N 1 1 341.314 1.418 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285246320 443911159 /nfs/dbraw/zinc/91/11/59/443911159.db2.gz LOYUHNVKIXZYRF-HZTRFMAJSA-N 1 1 345.399 1.930 20 5 EDBDMO CCOC(=O)CN(C)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285405693 443972114 /nfs/dbraw/zinc/97/21/14/443972114.db2.gz UKKVHYDVOLAKQD-UHFFFAOYSA-N 1 1 337.376 1.091 20 5 EDBDMO CCOC(=O)CN(C)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285405693 443972117 /nfs/dbraw/zinc/97/21/17/443972117.db2.gz UKKVHYDVOLAKQD-UHFFFAOYSA-N 1 1 337.376 1.091 20 5 EDBDMO CC(C)n1cc([C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]2CO)cn1 ZINC000285437378 443983509 /nfs/dbraw/zinc/98/35/09/443983509.db2.gz JQLRIXLNUHHLKL-GJZGRUSLSA-N 1 1 348.407 1.277 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293336574 443987356 /nfs/dbraw/zinc/98/73/56/443987356.db2.gz YLLPPGMFKFSWNM-GFCCVEGCSA-N 1 1 337.376 1.779 20 5 EDBDMO O=C(C[N@H+]1CCC[C@H](CO)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000293221867 443955992 /nfs/dbraw/zinc/95/59/92/443955992.db2.gz RTOXHKSHPZPWKF-ZDUSSCGKSA-N 1 1 333.388 1.578 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@H](CO)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000293221867 443955995 /nfs/dbraw/zinc/95/59/95/443955995.db2.gz RTOXHKSHPZPWKF-ZDUSSCGKSA-N 1 1 333.388 1.578 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](O)CC1 ZINC000293237167 443959418 /nfs/dbraw/zinc/95/94/18/443959418.db2.gz SOGCOXBEQYSUSL-CYBMUJFWSA-N 1 1 337.376 1.779 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285707454 444079719 /nfs/dbraw/zinc/07/97/19/444079719.db2.gz JDHVQYGPIDIRMZ-CVEARBPZSA-N 1 1 333.388 1.459 20 5 EDBDMO CCc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000566215255 321222995 /nfs/dbraw/zinc/22/29/95/321222995.db2.gz CNPKYHDAUAGDLQ-GHMZBOCLSA-N 1 1 327.406 1.528 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000299635556 444102129 /nfs/dbraw/zinc/10/21/29/444102129.db2.gz KGSWJJJSAKDFIR-LBPRGKRZSA-N 1 1 346.387 1.608 20 5 EDBDMO CCc1nnc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000569921387 321331802 /nfs/dbraw/zinc/33/18/02/321331802.db2.gz YMYUVJLWHRVXNW-JTQLQIEISA-N 1 1 338.389 1.538 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000278330092 444142480 /nfs/dbraw/zinc/14/24/80/444142480.db2.gz FUGRDFYUIYPTHN-CQSZACIVSA-N 1 1 347.415 1.849 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]Cc2cc(F)ncc2F)cc1 ZINC000294932589 444160168 /nfs/dbraw/zinc/16/01/68/444160168.db2.gz DFTSAADNAWNOER-HIFRSBDPSA-N 1 1 339.298 1.452 20 5 EDBDMO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000574914708 321507855 /nfs/dbraw/zinc/50/78/55/321507855.db2.gz FIGCRRYLLNDPKA-BZHVJNSISA-N 1 1 343.767 1.579 20 5 EDBDMO Cc1cc(N2CCN(CCO)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302457053 444213867 /nfs/dbraw/zinc/21/38/67/444213867.db2.gz TXXKVBGZUILQOT-ZDUSSCGKSA-N 1 1 330.388 1.954 20 5 EDBDMO Cc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302457053 444213868 /nfs/dbraw/zinc/21/38/68/444213868.db2.gz TXXKVBGZUILQOT-ZDUSSCGKSA-N 1 1 330.388 1.954 20 5 EDBDMO Cc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302457053 444213871 /nfs/dbraw/zinc/21/38/71/444213871.db2.gz TXXKVBGZUILQOT-ZDUSSCGKSA-N 1 1 330.388 1.954 20 5 EDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301583567 444180790 /nfs/dbraw/zinc/18/07/90/444180790.db2.gz QOKXOGPDLBTBQM-OLZOCXBDSA-N 1 1 343.387 1.666 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296068873 444202418 /nfs/dbraw/zinc/20/24/18/444202418.db2.gz CNNBUGSGFWVOAT-ZDUSSCGKSA-N 1 1 336.392 1.872 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000320325773 444329382 /nfs/dbraw/zinc/32/93/82/444329382.db2.gz LLOOHQXUNVMWKE-LLVKDONJSA-N 1 1 345.396 1.839 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000320325773 444329384 /nfs/dbraw/zinc/32/93/84/444329384.db2.gz LLOOHQXUNVMWKE-LLVKDONJSA-N 1 1 345.396 1.839 20 5 EDBDMO C[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[N@H+]1C1CC1 ZINC000290861074 444331402 /nfs/dbraw/zinc/33/14/02/444331402.db2.gz YPBHHJGDIGQXNJ-ZJUUUORDSA-N 1 1 340.405 1.279 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000297798218 444336055 /nfs/dbraw/zinc/33/60/55/444336055.db2.gz HTPXNHPZBVUVPX-ZFWWWQNUSA-N 1 1 346.387 1.585 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@@H+](C)CC1 ZINC000298110544 444418910 /nfs/dbraw/zinc/41/89/10/444418910.db2.gz PTJYBDQZVIPQOL-UHFFFAOYSA-N 1 1 336.392 1.570 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCN(C)CC1 ZINC000298110544 444418913 /nfs/dbraw/zinc/41/89/13/444418913.db2.gz PTJYBDQZVIPQOL-UHFFFAOYSA-N 1 1 336.392 1.570 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCN(C)CC1 ZINC000298110544 444418918 /nfs/dbraw/zinc/41/89/18/444418918.db2.gz PTJYBDQZVIPQOL-UHFFFAOYSA-N 1 1 336.392 1.570 20 5 EDBDMO CN1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1=O ZINC000581050029 322128036 /nfs/dbraw/zinc/12/80/36/322128036.db2.gz CZLKROLYZSJZBZ-ZDUSSCGKSA-N 1 1 345.359 1.697 20 5 EDBDMO CN1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1=O ZINC000581050029 322128039 /nfs/dbraw/zinc/12/80/39/322128039.db2.gz CZLKROLYZSJZBZ-ZDUSSCGKSA-N 1 1 345.359 1.697 20 5 EDBDMO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000338272522 444603344 /nfs/dbraw/zinc/60/33/44/444603344.db2.gz ZVXSLRXKHCKVMI-LBPRGKRZSA-N 1 1 339.417 1.234 20 5 EDBDMO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000338272522 444603348 /nfs/dbraw/zinc/60/33/48/444603348.db2.gz ZVXSLRXKHCKVMI-LBPRGKRZSA-N 1 1 339.417 1.234 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000338722441 444820782 /nfs/dbraw/zinc/82/07/82/444820782.db2.gz BWOUKIWZKCTTAR-HZPDHXFCSA-N 1 1 346.387 1.868 20 5 EDBDMO Cn1nccc1[C@@H]1[C@@H](CNc2ncc([N+](=O)[O-])s2)CCC[N@@H+]1C ZINC000344462514 444991431 /nfs/dbraw/zinc/99/14/31/444991431.db2.gz UJLDTACFBWROOH-MFKMUULPSA-N 1 1 336.421 2.280 20 5 EDBDMO Cn1nccc1[C@@H]1[C@@H](CNc2ncc([N+](=O)[O-])s2)CCC[N@H+]1C ZINC000344462514 444991436 /nfs/dbraw/zinc/99/14/36/444991436.db2.gz UJLDTACFBWROOH-MFKMUULPSA-N 1 1 336.421 2.280 20 5 EDBDMO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000339103548 445034718 /nfs/dbraw/zinc/03/47/18/445034718.db2.gz URRPEKGJWDMWGP-CYBMUJFWSA-N 1 1 342.417 1.873 20 5 EDBDMO CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000339103548 445034719 /nfs/dbraw/zinc/03/47/19/445034719.db2.gz URRPEKGJWDMWGP-CYBMUJFWSA-N 1 1 342.417 1.873 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000330587295 445049678 /nfs/dbraw/zinc/04/96/78/445049678.db2.gz MEDICGJLTRDJJC-VXGBXAGGSA-N 1 1 336.392 1.566 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000339134764 445049987 /nfs/dbraw/zinc/04/99/87/445049987.db2.gz KPISWHPLJKKZHQ-GFCCVEGCSA-N 1 1 334.376 1.572 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000339134764 445049992 /nfs/dbraw/zinc/04/99/92/445049992.db2.gz KPISWHPLJKKZHQ-GFCCVEGCSA-N 1 1 334.376 1.572 20 5 EDBDMO C[C@H]1C[NH+](CCN(C)c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000343101059 445066391 /nfs/dbraw/zinc/06/63/91/445066391.db2.gz MOGHLYLPXGHMNT-RYUDHWBXSA-N 1 1 336.392 1.239 20 5 EDBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000343149619 445098217 /nfs/dbraw/zinc/09/82/17/445098217.db2.gz HYTVQZVOUDJIFC-AAEUAGOBSA-N 1 1 329.360 1.883 20 5 EDBDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343149619 445098219 /nfs/dbraw/zinc/09/82/19/445098219.db2.gz HYTVQZVOUDJIFC-AAEUAGOBSA-N 1 1 329.360 1.883 20 5 EDBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343149619 445098224 /nfs/dbraw/zinc/09/82/24/445098224.db2.gz HYTVQZVOUDJIFC-AAEUAGOBSA-N 1 1 329.360 1.883 20 5 EDBDMO CO[C@H]1C[C@H](CO)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000344675959 445121809 /nfs/dbraw/zinc/12/18/09/445121809.db2.gz LLGWSZRVOBMNJR-CABCVRRESA-N 1 1 333.344 1.831 20 5 EDBDMO CO[C@H]1C[C@H](CO)[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000344675959 445121814 /nfs/dbraw/zinc/12/18/14/445121814.db2.gz LLGWSZRVOBMNJR-CABCVRRESA-N 1 1 333.344 1.831 20 5 EDBDMO C[C@@H]1[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCC[N@H+]1C ZINC000343467113 445228035 /nfs/dbraw/zinc/22/80/35/445228035.db2.gz ZGVFJIFPEFCYKP-MLGOLLRUSA-N 1 1 343.387 1.993 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000343504419 445235397 /nfs/dbraw/zinc/23/53/97/445235397.db2.gz IFEMPFZRIFTNQP-NHYWBVRUSA-N 1 1 349.387 1.984 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000354483405 445257505 /nfs/dbraw/zinc/25/75/05/445257505.db2.gz BLUYILHUZQYFMR-LBPRGKRZSA-N 1 1 348.403 1.648 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348353071 445265166 /nfs/dbraw/zinc/26/51/66/445265166.db2.gz ZKOGFGJPQBOTMR-ZDUSSCGKSA-N 1 1 339.417 1.760 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000348353071 445265171 /nfs/dbraw/zinc/26/51/71/445265171.db2.gz ZKOGFGJPQBOTMR-ZDUSSCGKSA-N 1 1 339.417 1.760 20 5 EDBDMO CC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000357140952 445450730 /nfs/dbraw/zinc/45/07/30/445450730.db2.gz FMUFSJYBCSNBCD-LBPRGKRZSA-N 1 1 337.376 1.826 20 5 EDBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353490363 445626923 /nfs/dbraw/zinc/62/69/23/445626923.db2.gz GBABFAMJSVRKDE-RJNRQISESA-N 1 1 325.390 1.361 20 5 EDBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353490363 445626927 /nfs/dbraw/zinc/62/69/27/445626927.db2.gz GBABFAMJSVRKDE-RJNRQISESA-N 1 1 325.390 1.361 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000349782780 445676961 /nfs/dbraw/zinc/67/69/61/445676961.db2.gz KNSZZZVULXPGNZ-NSHDSACASA-N 1 1 345.421 1.610 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000356209607 445677116 /nfs/dbraw/zinc/67/71/16/445677116.db2.gz DDTIKKFHRODRST-KRWDZBQOSA-N 1 1 349.435 1.743 20 5 EDBDMO COC[C@@H](O)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353618952 445679243 /nfs/dbraw/zinc/67/92/43/445679243.db2.gz HLHKHDICYJMPEG-LSDHHAIUSA-N 1 1 334.376 1.405 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000350152914 445781775 /nfs/dbraw/zinc/78/17/75/445781775.db2.gz KENRGHHNKJLQRU-GFCCVEGCSA-N 1 1 334.376 1.429 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000350152914 445781777 /nfs/dbraw/zinc/78/17/77/445781777.db2.gz KENRGHHNKJLQRU-GFCCVEGCSA-N 1 1 334.376 1.429 20 5 EDBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000356797249 446028938 /nfs/dbraw/zinc/02/89/38/446028938.db2.gz YQBKTBDYSFGOQD-NSHDSACASA-N 1 1 337.376 1.825 20 5 EDBDMO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000369298080 446055519 /nfs/dbraw/zinc/05/55/19/446055519.db2.gz JCIYZHMTHCXRLI-UONOGXRCSA-N 1 1 332.360 1.891 20 5 EDBDMO CCc1noc([C@H]2C[C@H](O)C[N@H+]2CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000369298080 446055528 /nfs/dbraw/zinc/05/55/28/446055528.db2.gz JCIYZHMTHCXRLI-UONOGXRCSA-N 1 1 332.360 1.891 20 5 EDBDMO CCCCOC[C@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365306150 446136923 /nfs/dbraw/zinc/13/69/23/446136923.db2.gz MZCXFIQAVYAQHI-DZGCQCFKSA-N 1 1 326.397 1.606 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000356910154 446116059 /nfs/dbraw/zinc/11/60/59/446116059.db2.gz 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Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000411172109 446418323 /nfs/dbraw/zinc/41/83/23/446418323.db2.gz YUEQDGASYPFBIH-UHFFFAOYSA-N 1 1 348.403 1.703 20 5 EDBDMO O=C(CC[N@@H+]1CCC[C@](F)(CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376559585 446575656 /nfs/dbraw/zinc/57/56/56/446575656.db2.gz XOAPGSLOSNWLOU-OAHLLOKOSA-N 1 1 325.340 1.720 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)n1 ZINC000423618542 446609257 /nfs/dbraw/zinc/60/92/57/446609257.db2.gz UROPZELXLKNJRJ-ZDUSSCGKSA-N 1 1 347.350 1.737 20 5 EDBDMO COc1cc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc([N+](=O)[O-])c1C ZINC000423696437 446645062 /nfs/dbraw/zinc/64/50/62/446645062.db2.gz XFTDQQVODFWYPW-HNNXBMFYSA-N 1 1 325.340 1.685 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOCC12CC2 ZINC000411691072 446649732 /nfs/dbraw/zinc/64/97/32/446649732.db2.gz ILXSLRKSTWXUDM-UHFFFAOYSA-N 1 1 335.360 1.797 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOCC12CC2 ZINC000411691072 446649734 /nfs/dbraw/zinc/64/97/34/446649734.db2.gz ILXSLRKSTWXUDM-UHFFFAOYSA-N 1 1 335.360 1.797 20 5 EDBDMO COCCN1C(=O)N[C@H]2C[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000411820230 446680973 /nfs/dbraw/zinc/68/09/73/446680973.db2.gz NLMAUQUWHWPXNK-DUVNUKRYSA-N 1 1 348.403 1.770 20 5 EDBDMO COCCN1C(=O)N[C@H]2C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000411820230 446680975 /nfs/dbraw/zinc/68/09/75/446680975.db2.gz NLMAUQUWHWPXNK-DUVNUKRYSA-N 1 1 348.403 1.770 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411943220 446752613 /nfs/dbraw/zinc/75/26/13/446752613.db2.gz NDTQHSVMJJMKFG-LBPRGKRZSA-N 1 1 334.376 1.252 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411943220 446752619 /nfs/dbraw/zinc/75/26/19/446752619.db2.gz NDTQHSVMJJMKFG-LBPRGKRZSA-N 1 1 334.376 1.252 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411962064 446764944 /nfs/dbraw/zinc/76/49/44/446764944.db2.gz YXTLJNLMFGAPKC-RYUDHWBXSA-N 1 1 334.376 1.332 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411962064 446764948 /nfs/dbraw/zinc/76/49/48/446764948.db2.gz YXTLJNLMFGAPKC-RYUDHWBXSA-N 1 1 334.376 1.332 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1C ZINC000420758420 446796443 /nfs/dbraw/zinc/79/64/43/446796443.db2.gz COUDMRKENFAUSR-ZDUSSCGKSA-N 1 1 341.433 1.926 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000420773014 446810054 /nfs/dbraw/zinc/81/00/54/446810054.db2.gz WBSPZOHLBLSPKO-CQSZACIVSA-N 1 1 327.406 1.451 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000442295919 446888663 /nfs/dbraw/zinc/88/86/63/446888663.db2.gz SVBBVIMYPSWWMF-QWHCGFSZSA-N 1 1 348.403 1.701 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000442295919 446888669 /nfs/dbraw/zinc/88/86/69/446888669.db2.gz SVBBVIMYPSWWMF-QWHCGFSZSA-N 1 1 348.403 1.701 20 5 EDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413107129 447004762 /nfs/dbraw/zinc/00/47/62/447004762.db2.gz KFBDRVBYYYMZRM-ZDUSSCGKSA-N 1 1 339.371 1.484 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c2c(c1)COCO2 ZINC000368785794 447103974 /nfs/dbraw/zinc/10/39/74/447103974.db2.gz DXTBYJKFYQDJJJ-CYBMUJFWSA-N 1 1 331.332 1.500 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](n3cncn3)C2)c2c(c1)COCO2 ZINC000368785794 447103981 /nfs/dbraw/zinc/10/39/81/447103981.db2.gz DXTBYJKFYQDJJJ-CYBMUJFWSA-N 1 1 331.332 1.500 20 5 EDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455338015 447112391 /nfs/dbraw/zinc/11/23/91/447112391.db2.gz RYYVUZJGMFNKIM-CYBMUJFWSA-N 1 1 340.355 1.702 20 5 EDBDMO C[N@@H+]1C[C@@H]2CCCN(c3cccc(S(C)(=O)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000425288779 447098185 /nfs/dbraw/zinc/09/81/85/447098185.db2.gz UTRQHJICKQZORV-WCQYABFASA-N 1 1 339.417 1.529 20 5 EDBDMO C[N@H+]1C[C@@H]2CCCN(c3cccc(S(C)(=O)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000425288779 447098186 /nfs/dbraw/zinc/09/81/86/447098186.db2.gz UTRQHJICKQZORV-WCQYABFASA-N 1 1 339.417 1.529 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000445892325 447204538 /nfs/dbraw/zinc/20/45/38/447204538.db2.gz AULRHDUGXDAJOO-OAHLLOKOSA-N 1 1 348.403 1.383 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000377603296 447237197 /nfs/dbraw/zinc/23/71/97/447237197.db2.gz QXSITMUJJKPNOH-UHFFFAOYSA-N 1 1 343.387 1.948 20 5 EDBDMO O=C(CC[N@H+]1CCC[C@@]2(CNC(=O)O2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000369034781 447280197 /nfs/dbraw/zinc/28/01/97/447280197.db2.gz IVNOLNBWHVNSDY-MRXNPFEDSA-N 1 1 348.359 1.498 20 5 EDBDMO CCNC(=O)C(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000459559478 447706936 /nfs/dbraw/zinc/70/69/36/447706936.db2.gz IUSFJYJARZPAHL-UHFFFAOYSA-N 1 1 338.364 1.046 20 5 EDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451254578 447712869 /nfs/dbraw/zinc/71/28/69/447712869.db2.gz LRVKOBPWLVRXBF-DZGCQCFKSA-N 1 1 333.388 1.577 20 5 EDBDMO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451940933 447793235 /nfs/dbraw/zinc/79/32/35/447793235.db2.gz WOXHIMXCGMCPHX-UXIGCNINSA-N 1 1 337.376 1.624 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H](C)C1 ZINC000552982868 447966286 /nfs/dbraw/zinc/96/62/86/447966286.db2.gz HZFNKPHOPQXGNM-LLVKDONJSA-N 1 1 335.360 1.532 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H](C)C1 ZINC000552982868 447966289 /nfs/dbraw/zinc/96/62/89/447966289.db2.gz HZFNKPHOPQXGNM-LLVKDONJSA-N 1 1 335.360 1.532 20 5 EDBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000531888012 448167284 /nfs/dbraw/zinc/16/72/84/448167284.db2.gz AIWVMCCQQLPARJ-AWEZNQCLSA-N 1 1 326.356 1.994 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C ZINC000591016898 448231472 /nfs/dbraw/zinc/23/14/72/448231472.db2.gz OUHGGTXCSYLHLH-CYBMUJFWSA-N 1 1 348.403 1.703 20 5 EDBDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C ZINC000591016898 448231480 /nfs/dbraw/zinc/23/14/80/448231480.db2.gz OUHGGTXCSYLHLH-CYBMUJFWSA-N 1 1 348.403 1.703 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000591028972 448239752 /nfs/dbraw/zinc/23/97/52/448239752.db2.gz MMHVWMFLPKQEHV-SWLSCSKDSA-N 1 1 346.387 1.313 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000532196862 448215499 /nfs/dbraw/zinc/21/54/99/448215499.db2.gz GONWLCQMUKWCTE-NEPJUHHUSA-N 1 1 340.405 1.095 20 5 EDBDMO CNc1nccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000583943544 448466447 /nfs/dbraw/zinc/46/64/47/448466447.db2.gz MWSKBZIKPYKSDW-VXGBXAGGSA-N 1 1 335.408 2.024 20 5 EDBDMO CC[N@@H+]1CCO[C@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000516898985 448490165 /nfs/dbraw/zinc/49/01/65/448490165.db2.gz RCNIZONDIFIUMB-INIZCTEOSA-N 1 1 346.387 1.456 20 5 EDBDMO CC[N@H+]1CCO[C@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000516898985 448490172 /nfs/dbraw/zinc/49/01/72/448490172.db2.gz RCNIZONDIFIUMB-INIZCTEOSA-N 1 1 346.387 1.456 20 5 EDBDMO CNc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000566955958 448590770 /nfs/dbraw/zinc/59/07/70/448590770.db2.gz PFDZCWBEICSPBJ-CYBMUJFWSA-N 1 1 336.392 1.213 20 5 EDBDMO CC(C)N1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000517922594 448629777 /nfs/dbraw/zinc/62/97/77/448629777.db2.gz LJMVFPNQVKWMSY-OAHLLOKOSA-N 1 1 337.420 1.797 20 5 EDBDMO CC(C)[NH+]1CCC(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000517922594 448629783 /nfs/dbraw/zinc/62/97/83/448629783.db2.gz LJMVFPNQVKWMSY-OAHLLOKOSA-N 1 1 337.420 1.797 20 5 EDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000592342634 448799471 /nfs/dbraw/zinc/79/94/71/448799471.db2.gz XBDIHFZYYLNKCS-MRXNPFEDSA-N 1 1 348.334 1.622 20 5 EDBDMO NC(=O)C[C@@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000588977226 448956396 /nfs/dbraw/zinc/95/63/96/448956396.db2.gz KAHXJOVXWPOOBI-NSHDSACASA-N 1 1 348.359 1.090 20 5 EDBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000581149076 448968662 /nfs/dbraw/zinc/96/86/62/448968662.db2.gz SWDZQFSHPBLRCK-ZIAGYGMSSA-N 1 1 341.371 1.747 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589502231 449026936 /nfs/dbraw/zinc/02/69/36/449026936.db2.gz QIOSEGAYZSUZQX-ZDUSSCGKSA-N 1 1 336.344 1.909 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589502231 449026941 /nfs/dbraw/zinc/02/69/41/449026941.db2.gz QIOSEGAYZSUZQX-ZDUSSCGKSA-N 1 1 336.344 1.909 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608846 449076979 /nfs/dbraw/zinc/07/69/79/449076979.db2.gz XKOMULORIBRLDA-CYBMUJFWSA-N 1 1 344.375 1.455 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608846 449076983 /nfs/dbraw/zinc/07/69/83/449076983.db2.gz XKOMULORIBRLDA-CYBMUJFWSA-N 1 1 344.375 1.455 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccccc21 ZINC000593096429 449132921 /nfs/dbraw/zinc/13/29/21/449132921.db2.gz SIFKBYAMOGCWQH-XJKSGUPXSA-N 1 1 330.388 1.814 20 5 EDBDMO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000593665069 449137662 /nfs/dbraw/zinc/13/76/62/449137662.db2.gz AEYBLUKIBQCMMC-UHFFFAOYSA-N 1 1 333.435 1.763 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593594943 449097255 /nfs/dbraw/zinc/09/72/55/449097255.db2.gz IGMCFFAQBDSFDF-NSHDSACASA-N 1 1 328.394 1.143 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000592998691 449097514 /nfs/dbraw/zinc/09/75/14/449097514.db2.gz DRTVJBXPMOAAFR-GFCCVEGCSA-N 1 1 338.433 1.508 20 5 EDBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599938490 449117071 /nfs/dbraw/zinc/11/70/71/449117071.db2.gz CAIHGXSLXYTWNH-LUKYLMHMSA-N 1 1 345.399 1.366 20 5 EDBDMO C[C@@]12COC[C@H]1C[N@H+](CC(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000595762081 449153705 /nfs/dbraw/zinc/15/37/05/449153705.db2.gz ZRVWLNVBXVHDQI-QLJPJBMISA-N 1 1 349.343 1.230 20 5 EDBDMO C[C@@]12COC[C@H]1C[N@@H+](CC(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000595762081 449153709 /nfs/dbraw/zinc/15/37/09/449153709.db2.gz ZRVWLNVBXVHDQI-QLJPJBMISA-N 1 1 349.343 1.230 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590443031 449164480 /nfs/dbraw/zinc/16/44/80/449164480.db2.gz JMJKCTABIYPGRU-RHSMWYFYSA-N 1 1 344.415 1.971 20 5 EDBDMO CC[N@H+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000611092401 449166838 /nfs/dbraw/zinc/16/68/38/449166838.db2.gz SKRSECFZUIVKOC-BBRMVZONSA-N 1 1 332.404 1.726 20 5 EDBDMO CN(CC(=O)NC1CC([NH+]2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000600068948 449170184 /nfs/dbraw/zinc/17/01/84/449170184.db2.gz NQSGZAXBMCURCV-UHFFFAOYSA-N 1 1 348.403 1.010 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H](C)[C@H]1O ZINC000595745459 449143573 /nfs/dbraw/zinc/14/35/73/449143573.db2.gz UDXYVFXOBUVZNC-PBKGOJFUSA-N 1 1 333.388 1.433 20 5 EDBDMO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H](C)[C@H]1O ZINC000595745459 449143579 /nfs/dbraw/zinc/14/35/79/449143579.db2.gz UDXYVFXOBUVZNC-PBKGOJFUSA-N 1 1 333.388 1.433 20 5 EDBDMO Cc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000600111411 449196096 /nfs/dbraw/zinc/19/60/96/449196096.db2.gz ICYSTKZUBUIMFG-UHFFFAOYSA-N 1 1 333.388 1.840 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590590317 449206874 /nfs/dbraw/zinc/20/68/74/449206874.db2.gz FDTWFPIQUZDOSU-LLVKDONJSA-N 1 1 345.396 1.757 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590590317 449206879 /nfs/dbraw/zinc/20/68/79/449206879.db2.gz FDTWFPIQUZDOSU-LLVKDONJSA-N 1 1 345.396 1.757 20 5 EDBDMO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C(C)(C)C1 ZINC000593339055 449232649 /nfs/dbraw/zinc/23/26/49/449232649.db2.gz NLNIFKONWQYTPX-UHFFFAOYSA-N 1 1 336.392 1.481 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C(C)(C)C1 ZINC000593339055 449232651 /nfs/dbraw/zinc/23/26/51/449232651.db2.gz NLNIFKONWQYTPX-UHFFFAOYSA-N 1 1 336.392 1.481 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000604473248 449234992 /nfs/dbraw/zinc/23/49/92/449234992.db2.gz WAHDLXPWWZJZCV-GFCCVEGCSA-N 1 1 327.406 1.530 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604473248 449234994 /nfs/dbraw/zinc/23/49/94/449234994.db2.gz WAHDLXPWWZJZCV-GFCCVEGCSA-N 1 1 327.406 1.530 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000604489620 449239550 /nfs/dbraw/zinc/23/95/50/449239550.db2.gz RAXURTIMSJGRNO-QGZVFWFLSA-N 1 1 347.415 1.851 20 5 EDBDMO C[C@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000593389858 449258990 /nfs/dbraw/zinc/25/89/90/449258990.db2.gz VPJMKKJCTSHJKM-WCQYABFASA-N 1 1 334.376 1.116 20 5 EDBDMO C[C@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000593389858 449258998 /nfs/dbraw/zinc/25/89/98/449258998.db2.gz VPJMKKJCTSHJKM-WCQYABFASA-N 1 1 334.376 1.116 20 5 EDBDMO C[N@@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000601979894 449260543 /nfs/dbraw/zinc/26/05/43/449260543.db2.gz PFBRSGYKRFWHCP-SNVBAGLBSA-N 1 1 330.182 1.470 20 5 EDBDMO C[N@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000601979894 449260549 /nfs/dbraw/zinc/26/05/49/449260549.db2.gz PFBRSGYKRFWHCP-SNVBAGLBSA-N 1 1 330.182 1.470 20 5 EDBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000598195717 449291178 /nfs/dbraw/zinc/29/11/78/449291178.db2.gz QVSRIKXZKQZJIX-CQSZACIVSA-N 1 1 343.387 1.707 20 5 EDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000593996464 449316594 /nfs/dbraw/zinc/31/65/94/449316594.db2.gz ODWTUGJYISCQKN-INIZCTEOSA-N 1 1 335.404 1.770 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598455038 449404433 /nfs/dbraw/zinc/40/44/33/449404433.db2.gz ZHQHVQXPAYFROS-HNNXBMFYSA-N 1 1 349.387 1.031 20 5 EDBDMO COC(=O)c1c(Cl)c(NC[C@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000596196125 449407492 /nfs/dbraw/zinc/40/74/92/449407492.db2.gz IUIHOSNMLZESNN-CQSZACIVSA-N 1 1 343.767 1.513 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598508363 449432582 /nfs/dbraw/zinc/43/25/82/449432582.db2.gz HASIUIUMFNTUEC-ZDUSSCGKSA-N 1 1 329.360 1.333 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000598508363 449432587 /nfs/dbraw/zinc/43/25/87/449432587.db2.gz HASIUIUMFNTUEC-ZDUSSCGKSA-N 1 1 329.360 1.333 20 5 EDBDMO NC(=O)c1cc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596162318 449391578 /nfs/dbraw/zinc/39/15/78/449391578.db2.gz KJWIYMDTKNSZSC-ZBFHGGJFSA-N 1 1 348.403 1.749 20 5 EDBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598562477 449467752 /nfs/dbraw/zinc/46/77/52/449467752.db2.gz UPZKMKCPIIZMOG-LBPRGKRZSA-N 1 1 335.408 1.732 20 5 EDBDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596361851 449483114 /nfs/dbraw/zinc/48/31/14/449483114.db2.gz CSZHZMDOUDEOQH-LBPRGKRZSA-N 1 1 337.424 1.378 20 5 EDBDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596361851 449483117 /nfs/dbraw/zinc/48/31/17/449483117.db2.gz CSZHZMDOUDEOQH-LBPRGKRZSA-N 1 1 337.424 1.378 20 5 EDBDMO C[C@H]1C[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[N@H+]1C ZINC000598599431 449484671 /nfs/dbraw/zinc/48/46/71/449484671.db2.gz OBWNYFSRTNKGQQ-RYUDHWBXSA-N 1 1 336.396 1.116 20 5 EDBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393402 449489751 /nfs/dbraw/zinc/48/97/51/449489751.db2.gz MFYSIQKTGBVLDQ-QWHCGFSZSA-N 1 1 347.396 1.701 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598778979 449597176 /nfs/dbraw/zinc/59/71/76/449597176.db2.gz CTYCTASBUXSHFU-LBPRGKRZSA-N 1 1 334.376 1.547 20 5 EDBDMO C[NH+]1CCN(Cc2cn(-c3ccc(Cl)cc3[N+](=O)[O-])nn2)CC1 ZINC000594652875 449608486 /nfs/dbraw/zinc/60/84/86/449608486.db2.gz MPWSJQMKQUHFEU-UHFFFAOYSA-N 1 1 336.783 1.576 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@H]21 ZINC000594765586 449678916 /nfs/dbraw/zinc/67/89/16/449678916.db2.gz XBEYXFHDEAGBQL-VXGBXAGGSA-N 1 1 340.405 1.095 20 5 EDBDMO CC[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599086611 449724087 /nfs/dbraw/zinc/72/40/87/449724087.db2.gz PUOTYWKVGAUVLO-AWEZNQCLSA-N 1 1 342.421 1.126 20 5 EDBDMO C[N@@H+](CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C1CC1 ZINC000599157000 449768440 /nfs/dbraw/zinc/76/84/40/449768440.db2.gz PWPVKZLUYQXLGO-UHFFFAOYSA-N 1 1 347.350 1.744 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000602783425 449806436 /nfs/dbraw/zinc/80/64/36/449806436.db2.gz LSWVPAWTJBGCQG-HNNXBMFYSA-N 1 1 337.424 1.286 20 5 EDBDMO 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ZINC000805821546 593148064 /nfs/dbraw/zinc/14/80/64/593148064.db2.gz BDRNRPRHUCWRPF-PBHICJAKSA-N 1 1 335.404 1.866 20 5 EDBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000794635210 593183991 /nfs/dbraw/zinc/18/39/91/593183991.db2.gz DBIYIYDSZSZNJZ-UHFFFAOYSA-N 1 1 333.344 1.963 20 5 EDBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC2(C1)CCOCC2 ZINC000794635210 593183993 /nfs/dbraw/zinc/18/39/93/593183993.db2.gz DBIYIYDSZSZNJZ-UHFFFAOYSA-N 1 1 333.344 1.963 20 5 EDBDMO COc1c(C(=O)OC[C@H]2C[N@@H+](C(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000802135017 593221806 /nfs/dbraw/zinc/22/18/06/593221806.db2.gz RVMOWBGFBSBIQE-GFCCVEGCSA-N 1 1 338.360 1.869 20 5 EDBDMO COc1c(C(=O)OC[C@H]2C[N@H+](C(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000802135017 593221808 /nfs/dbraw/zinc/22/18/08/593221808.db2.gz RVMOWBGFBSBIQE-GFCCVEGCSA-N 1 1 338.360 1.869 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000802139882 593223288 /nfs/dbraw/zinc/22/32/88/593223288.db2.gz IVXSLUIABWQZGI-ZDUSSCGKSA-N 1 1 338.360 1.869 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000802139882 593223289 /nfs/dbraw/zinc/22/32/89/593223289.db2.gz IVXSLUIABWQZGI-ZDUSSCGKSA-N 1 1 338.360 1.869 20 5 EDBDMO O=C(CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000838895986 593235849 /nfs/dbraw/zinc/23/58/49/593235849.db2.gz VHQDJESURWWZFO-CYBMUJFWSA-N 1 1 333.392 1.489 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000817374316 593598372 /nfs/dbraw/zinc/59/83/72/593598372.db2.gz KEZHQCLJNQNMDP-GFCCVEGCSA-N 1 1 347.375 1.395 20 5 EDBDMO CC(C)[N@@H+]1C[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000820752175 593880704 /nfs/dbraw/zinc/88/07/04/593880704.db2.gz KZSVMNCDPDZNOL-ONGXEEELSA-N 1 1 332.368 1.311 20 5 EDBDMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000820752000 593881446 /nfs/dbraw/zinc/88/14/46/593881446.db2.gz JOURGSRNQUYGSP-GXFFZTMASA-N 1 1 331.380 1.916 20 5 EDBDMO CCOCC[NH+]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823993154 593903143 /nfs/dbraw/zinc/90/31/43/593903143.db2.gz AKJLXZXAIHIRIQ-UHFFFAOYSA-N 1 1 337.380 1.363 20 5 EDBDMO Cc1c[nH+]cn1C1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000829687187 594239925 /nfs/dbraw/zinc/23/99/25/594239925.db2.gz DHUURQLYGUVOCR-INIZCTEOSA-N 1 1 344.371 1.997 20 5 EDBDMO C[S@@](=O)CC[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000827667851 594254458 /nfs/dbraw/zinc/25/44/58/594254458.db2.gz MICRVNPTAWVSPY-XMMPIXPASA-N 1 1 348.428 1.644 20 5 EDBDMO CCOC(=O)Cc1ccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000826019625 594307477 /nfs/dbraw/zinc/30/74/77/594307477.db2.gz IEKVEISATGXFLT-OKILXGFUSA-N 1 1 333.388 1.698 20 5 EDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000827977712 594313904 /nfs/dbraw/zinc/31/39/04/594313904.db2.gz UKYCOMJPDTZTDE-OCAPTIKFSA-N 1 1 342.758 1.888 20 5 EDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000827977712 594313908 /nfs/dbraw/zinc/31/39/08/594313908.db2.gz UKYCOMJPDTZTDE-OCAPTIKFSA-N 1 1 342.758 1.888 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000826632242 594543620 /nfs/dbraw/zinc/54/36/20/594543620.db2.gz DQUDJTQJHMDBBC-TXEJJXNPSA-N 1 1 325.413 1.665 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000831786507 594703058 /nfs/dbraw/zinc/70/30/58/594703058.db2.gz IPKVZCUHNYTHMZ-SNVBAGLBSA-N 1 1 340.767 1.531 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000831786507 594703059 /nfs/dbraw/zinc/70/30/59/594703059.db2.gz IPKVZCUHNYTHMZ-SNVBAGLBSA-N 1 1 340.767 1.531 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1F ZINC000867420492 595228061 /nfs/dbraw/zinc/22/80/61/595228061.db2.gz IRFGYYXEFCUTPE-LLVKDONJSA-N 1 1 345.396 1.757 20 5 EDBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000106401000 595283374 /nfs/dbraw/zinc/28/33/74/595283374.db2.gz XADSTDFGSLMTQZ-UHFFFAOYSA-N 1 1 341.795 1.777 20 5 EDBDMO NC(=O)[C@]1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCOC1 ZINC000847056249 595357226 /nfs/dbraw/zinc/35/72/26/595357226.db2.gz YBXUOEOQGCUVHS-LBPRGKRZSA-N 1 1 344.165 1.091 20 5 EDBDMO COC[C@H]1CC[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848479461 595390526 /nfs/dbraw/zinc/39/05/26/595390526.db2.gz AWEUFFKMGPYLOK-XJKSGUPXSA-N 1 1 333.388 1.837 20 5 EDBDMO NC(=O)C[C@@H]1CC[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848486724 595393210 /nfs/dbraw/zinc/39/32/10/595393210.db2.gz KQIOGWWRCFEJAT-SWLSCSKDSA-N 1 1 346.387 1.066 20 5 EDBDMO C[C@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000847377639 595407388 /nfs/dbraw/zinc/40/73/88/595407388.db2.gz DSEONPNHKHIVCH-TUKIKUTGSA-N 1 1 334.376 1.116 20 5 EDBDMO C[N@H+]1CC[C@@H](CCOC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000847829198 595489729 /nfs/dbraw/zinc/48/97/29/595489729.db2.gz JLQIMUVHPBUSPG-LBPRGKRZSA-N 1 1 345.359 1.674 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000860162413 595601431 /nfs/dbraw/zinc/60/14/31/595601431.db2.gz WIUGPXJFXJUZBB-VXGBXAGGSA-N 1 1 333.344 1.337 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000860196717 595610190 /nfs/dbraw/zinc/61/01/90/595610190.db2.gz ICPMAYFZZINNBE-LLVKDONJSA-N 1 1 345.396 1.495 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000860196717 595610192 /nfs/dbraw/zinc/61/01/92/595610192.db2.gz ICPMAYFZZINNBE-LLVKDONJSA-N 1 1 345.396 1.495 20 5 EDBDMO COC[C@@H](OC)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035307 595709974 /nfs/dbraw/zinc/70/99/74/595709974.db2.gz IERKSUKTZCBYDF-LSDHHAIUSA-N 1 1 338.360 1.374 20 5 EDBDMO COC[C@@H](OC)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035307 595709976 /nfs/dbraw/zinc/70/99/76/595709976.db2.gz IERKSUKTZCBYDF-LSDHHAIUSA-N 1 1 338.360 1.374 20 5 EDBDMO CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](CC)C1 ZINC000855489594 595725905 /nfs/dbraw/zinc/72/59/05/595725905.db2.gz AVMDYUAATDPKDI-AWEZNQCLSA-N 1 1 349.387 1.729 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC000858811486 595897041 /nfs/dbraw/zinc/89/70/41/595897041.db2.gz AYWXZJZSSQTIKX-SECBINFHSA-N 1 1 343.767 1.513 20 5 EDBDMO COc1cc(C(=O)OC[C@]2(C)C[C@H](OC)C[N@H+]2C)ccc1[N+](=O)[O-] ZINC000861345942 595952823 /nfs/dbraw/zinc/95/28/23/595952823.db2.gz ZMAHTWZZBKFNNQ-LRDDRELGSA-N 1 1 338.360 1.869 20 5 EDBDMO Cc1cc(F)cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000861710566 596075832 /nfs/dbraw/zinc/07/58/32/596075832.db2.gz CAVPQHFYSKOEAI-CHWSQXEVSA-N 1 1 337.351 1.323 20 5 EDBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861716314 596078481 /nfs/dbraw/zinc/07/84/81/596078481.db2.gz RANQCDYURDCRKZ-QWRGUYRKSA-N 1 1 339.779 1.529 20 5 EDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cc([N+](=O)[O-])ccc1F ZINC000854742824 596184687 /nfs/dbraw/zinc/18/46/87/596184687.db2.gz GWIUQHKMRGQJHG-NSHDSACASA-N 1 1 325.340 1.311 20 5 EDBDMO Nc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000862216427 596276977 /nfs/dbraw/zinc/27/69/77/596276977.db2.gz WMEOQMWZCNSWAK-UHFFFAOYSA-N 1 1 334.376 1.114 20 5 EDBDMO CC(C)[N@H+]1CCCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870880654 596387551 /nfs/dbraw/zinc/38/75/51/596387551.db2.gz IKSWDSWXIOGNBR-KRWDZBQOSA-N 1 1 334.420 1.711 20 5 EDBDMO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000871047525 596446233 /nfs/dbraw/zinc/44/62/33/596446233.db2.gz CBWRCXQHIWLIEV-ZFWWWQNUSA-N 1 1 342.403 1.921 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867811230 596562759 /nfs/dbraw/zinc/56/27/59/596562759.db2.gz AXHFAKLVFXQFHW-PWSUYJOCSA-N 1 1 343.380 1.449 20 5 EDBDMO CC(C)(O)C[N@H+]1CC[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865997266 596752557 /nfs/dbraw/zinc/75/25/57/596752557.db2.gz WYOYGMNDJWPLRB-NSHDSACASA-N 1 1 327.356 1.483 20 5 EDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000868505698 596864990 /nfs/dbraw/zinc/86/49/90/596864990.db2.gz ZJGJBIAUSDSQRH-UHFFFAOYSA-N 1 1 337.351 1.067 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000874843564 597195420 /nfs/dbraw/zinc/19/54/20/597195420.db2.gz PWLNSYRKIFTWPJ-UONOGXRCSA-N 1 1 329.360 1.780 20 5 EDBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000874843564 597195423 /nfs/dbraw/zinc/19/54/23/597195423.db2.gz PWLNSYRKIFTWPJ-UONOGXRCSA-N 1 1 329.360 1.780 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000874843564 597195426 /nfs/dbraw/zinc/19/54/26/597195426.db2.gz PWLNSYRKIFTWPJ-UONOGXRCSA-N 1 1 329.360 1.780 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000877874615 597561587 /nfs/dbraw/zinc/56/15/87/597561587.db2.gz DLVJLWJCNPODEH-CJNGLKHVSA-N 1 1 332.360 1.456 20 5 EDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)CC2(O)CCCC2)CC1 ZINC000877948682 597565667 /nfs/dbraw/zinc/56/56/67/597565667.db2.gz GVMBFPTXNQWVKN-OAHLLOKOSA-N 1 1 349.431 1.773 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000878334591 597596254 /nfs/dbraw/zinc/59/62/54/597596254.db2.gz CPRAZZIKNRRQJB-UHFFFAOYSA-N 1 1 341.412 1.898 20 5 EDBDMO CCOc1cc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000879535160 597623963 /nfs/dbraw/zinc/62/39/63/597623963.db2.gz IEOQHYTYAOVUIN-TXEJJXNPSA-N 1 1 333.344 1.040 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879567034 597634189 /nfs/dbraw/zinc/63/41/89/597634189.db2.gz LIDOFMYRPSHGNY-UNEWFSDZSA-N 1 1 335.404 1.361 20 5 EDBDMO O=C1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CN1CC1CC1 ZINC000883404351 597733611 /nfs/dbraw/zinc/73/36/11/597733611.db2.gz XKXCGCAGAXUALX-ZDUSSCGKSA-N 1 1 347.371 1.467 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CCOC[C@H]2OC)c1 ZINC000880436461 597934392 /nfs/dbraw/zinc/93/43/92/597934392.db2.gz WKSHHARYQVENGU-LSDHHAIUSA-N 1 1 338.360 1.617 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000917654063 697059290 /nfs/dbraw/zinc/05/92/90/697059290.db2.gz UQBNVJJBNFKUBM-GHMZBOCLSA-N 1 1 343.380 1.639 20 5 EDBDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000919695860 697318308 /nfs/dbraw/zinc/31/83/08/697318308.db2.gz QAJZDXOVOGDRTK-UHFFFAOYSA-N 1 1 340.343 1.752 20 5 EDBDMO CC1([NH2+]CC2CC(F)(F)C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940107040 700218474 /nfs/dbraw/zinc/21/84/74/700218474.db2.gz FAVDPLIYSBKKHR-VXGBXAGGSA-N 1 1 331.363 1.668 20 5 EDBDMO Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940107872 700219769 /nfs/dbraw/zinc/21/97/69/700219769.db2.gz RCHKNTPGYKTPAR-HUUCEWRRSA-N 1 1 332.404 1.526 20 5 EDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCc2ccccc2F)CC1 ZINC001005382363 708816207 /nfs/dbraw/zinc/81/62/07/708816207.db2.gz QPJVUJNPEMIEHU-NVXWUHKLSA-N 1 1 349.406 1.956 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nccn2C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000051451964 214094957 /nfs/dbraw/zinc/09/49/57/214094957.db2.gz GTSNHKFRAUEUCI-HNNXBMFYSA-N 1 1 332.360 1.151 20 5 EDBDMO CNC(=O)CCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000154631976 529851714 /nfs/dbraw/zinc/85/17/14/529851714.db2.gz XZDVJMMPUXFXKG-UHFFFAOYSA-N 1 1 342.783 1.645 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000154164934 530064326 /nfs/dbraw/zinc/06/43/26/530064326.db2.gz PJDLUYDRRZBDKU-GWCFXTLKSA-N 1 1 336.367 1.872 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NC2C[NH+](C(C)C)C2)c1F ZINC000412269406 303990271 /nfs/dbraw/zinc/99/02/71/303990271.db2.gz LYSMKNRRAIZTRO-UHFFFAOYSA-N 1 1 325.340 1.494 20 5 EDBDMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000067394025 215139590 /nfs/dbraw/zinc/13/95/90/215139590.db2.gz DHLOYXASFICLLF-CYBMUJFWSA-N 1 1 348.403 1.690 20 5 EDBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000068975449 215349848 /nfs/dbraw/zinc/34/98/48/215349848.db2.gz DXWFRUCLUUHVFU-TXEJJXNPSA-N 1 1 339.367 1.963 20 5 EDBDMO CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H]1CCC[N@@H+](C)C1 ZINC000181168427 234103069 /nfs/dbraw/zinc/10/30/69/234103069.db2.gz VXSKEIPLBPRABF-WBMJQRKESA-N 1 1 346.387 1.640 20 5 EDBDMO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)c([N+](=O)[O-])cc1OC ZINC000562979817 306314631 /nfs/dbraw/zinc/31/46/31/306314631.db2.gz QYBZEQREFBGSOG-SNVBAGLBSA-N 1 1 345.302 1.291 20 5 EDBDMO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000184323266 235367753 /nfs/dbraw/zinc/36/77/53/235367753.db2.gz DCKRXSRFUWNDKD-NSHDSACASA-N 1 1 326.422 1.412 20 5 EDBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCOCC1 ZINC000063453810 138167877 /nfs/dbraw/zinc/16/78/77/138167877.db2.gz IMSQMAQTZFZUQP-UHFFFAOYSA-N 1 1 337.376 1.202 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000090517175 138279363 /nfs/dbraw/zinc/27/93/63/138279363.db2.gz 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Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)C1CCOCC1 ZINC000275494853 268351207 /nfs/dbraw/zinc/35/12/07/268351207.db2.gz GGLMSCHGUWXMNF-UHFFFAOYSA-N 1 1 337.376 1.315 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000273743572 273051987 /nfs/dbraw/zinc/05/19/87/273051987.db2.gz VXTXVILWWBMMRH-IUODEOHRSA-N 1 1 339.417 1.451 20 5 EDBDMO Cc1nn(C)c(-c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)c1[N+](=O)[O-] ZINC000274146247 273072389 /nfs/dbraw/zinc/07/23/89/273072389.db2.gz YNDBNFNPPHCJSW-VHSXEESVSA-N 1 1 334.336 1.222 20 5 EDBDMO O=C(NC1CC1)N[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000274167335 273073775 /nfs/dbraw/zinc/07/37/75/273073775.db2.gz HJFVEAIVUJTHMN-ZDUSSCGKSA-N 1 1 334.376 1.510 20 5 EDBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000274167335 273073776 /nfs/dbraw/zinc/07/37/76/273073776.db2.gz HJFVEAIVUJTHMN-ZDUSSCGKSA-N 1 1 334.376 1.510 20 5 EDBDMO CCOc1cc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276940724 273170741 /nfs/dbraw/zinc/17/07/41/273170741.db2.gz SDBMVWYFUXMTNH-KBPBESRZSA-N 1 1 337.420 1.880 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000367333640 273998825 /nfs/dbraw/zinc/99/88/25/273998825.db2.gz UBPMLPDHUNUGFU-LLVKDONJSA-N 1 1 345.359 1.812 20 5 EDBDMO COC(=O)c1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000371109348 274000124 /nfs/dbraw/zinc/00/01/24/274000124.db2.gz VQDVCIDXKWKKOU-CYBMUJFWSA-N 1 1 349.387 1.601 20 5 EDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000450441904 274140379 /nfs/dbraw/zinc/14/03/79/274140379.db2.gz RBTBPSQRBDBGFL-GFCCVEGCSA-N 1 1 344.371 1.672 20 5 EDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@H+]2CCOC[C@H]2C1 ZINC000450441904 274140381 /nfs/dbraw/zinc/14/03/81/274140381.db2.gz RBTBPSQRBDBGFL-GFCCVEGCSA-N 1 1 344.371 1.672 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284377907 274180924 /nfs/dbraw/zinc/18/09/24/274180924.db2.gz FJUABELIAONCAR-FMKPAKJESA-N 1 1 336.388 1.978 20 5 EDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000284675658 274289570 /nfs/dbraw/zinc/28/95/70/274289570.db2.gz FWSIOHBTDCVPJO-NFBGWVBBSA-N 1 1 341.371 1.515 20 5 EDBDMO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000284676271 274289890 /nfs/dbraw/zinc/28/98/90/274289890.db2.gz HCGYWOKBEJOQPU-GXTWGEPZSA-N 1 1 325.321 1.787 20 5 EDBDMO CC(C)c1ccc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)cc1[N+](=O)[O-] ZINC000366767615 276053160 /nfs/dbraw/zinc/05/31/60/276053160.db2.gz GYRIEYQKTOECRU-GOEBONIOSA-N 1 1 333.388 1.808 20 5 EDBDMO CC(C)c1ccc(C[N@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)cc1[N+](=O)[O-] ZINC000366767615 276053162 /nfs/dbraw/zinc/05/31/62/276053162.db2.gz GYRIEYQKTOECRU-GOEBONIOSA-N 1 1 333.388 1.808 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000102184148 276131004 /nfs/dbraw/zinc/13/10/04/276131004.db2.gz UXZIMQUTLNIQMH-UHFFFAOYSA-N 1 1 343.405 1.366 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272196666 276300585 /nfs/dbraw/zinc/30/05/85/276300585.db2.gz NTGOUVKFKFGYPS-AAEUAGOBSA-N 1 1 334.376 1.697 20 5 EDBDMO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271619511 278036383 /nfs/dbraw/zinc/03/63/83/278036383.db2.gz MJCDVUZLTASEIT-QWHCGFSZSA-N 1 1 348.403 1.325 20 5 EDBDMO Cc1[nH]nc(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000286468610 288013650 /nfs/dbraw/zinc/01/36/50/288013650.db2.gz IMINHEVTVWJRKB-UHFFFAOYSA-N 1 1 335.364 1.813 20 5 EDBDMO Cc1n[nH]c(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000286468610 288013652 /nfs/dbraw/zinc/01/36/52/288013652.db2.gz IMINHEVTVWJRKB-UHFFFAOYSA-N 1 1 335.364 1.813 20 5 EDBDMO Cc1n[nH]c(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000286468610 288013653 /nfs/dbraw/zinc/01/36/53/288013653.db2.gz IMINHEVTVWJRKB-UHFFFAOYSA-N 1 1 335.364 1.813 20 5 EDBDMO C[C@@H](CN1CCOCC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000091514442 278264540 /nfs/dbraw/zinc/26/45/40/278264540.db2.gz XENDNFMJNKZFGI-KBPBESRZSA-N 1 1 335.408 1.197 20 5 EDBDMO C[C@@H](C[NH+]1CCOCC1)N(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287900743 288351300 /nfs/dbraw/zinc/35/13/00/288351300.db2.gz VJFIFDOCMHPVCQ-JTQLQIEISA-N 1 1 337.405 1.756 20 5 EDBDMO CNS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291552176 289103334 /nfs/dbraw/zinc/10/33/34/289103334.db2.gz MIYZTCXPXBRLEZ-UHFFFAOYSA-N 1 1 342.204 1.540 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291797689 289183304 /nfs/dbraw/zinc/18/33/04/289183304.db2.gz MZFSSIPJVKFGQY-SFHVURJKSA-N 1 1 343.383 1.393 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291889526 289207027 /nfs/dbraw/zinc/20/70/27/289207027.db2.gz QPSHGWAJFUTVAE-UONOGXRCSA-N 1 1 332.360 1.478 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1(CO)CCC1 ZINC000292116328 289265273 /nfs/dbraw/zinc/26/52/73/289265273.db2.gz JOHDCFUIVLKGBS-UHFFFAOYSA-N 1 1 337.376 1.779 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292119264 289265726 /nfs/dbraw/zinc/26/57/26/289265726.db2.gz WLZWQDUTSMLLHV-HNNXBMFYSA-N 1 1 339.417 1.620 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(OC)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000293789845 303019004 /nfs/dbraw/zinc/01/90/04/303019004.db2.gz CNLTTXUJECIIEV-JKSUJKDBSA-N 1 1 349.387 1.539 20 5 EDBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)(C)CO ZINC000295253701 303194914 /nfs/dbraw/zinc/19/49/14/303194914.db2.gz QQVRHVLFDPFOMZ-UHFFFAOYSA-N 1 1 339.348 1.212 20 5 EDBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)(C)CO ZINC000295253701 303194915 /nfs/dbraw/zinc/19/49/15/303194915.db2.gz QQVRHVLFDPFOMZ-UHFFFAOYSA-N 1 1 339.348 1.212 20 5 EDBDMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c(N)c([N+](=O)[O-])c1 ZINC000295604241 303240813 /nfs/dbraw/zinc/24/08/13/303240813.db2.gz XJRGTNCYMCPVJD-GFCCVEGCSA-N 1 1 336.392 1.062 20 5 EDBDMO COCCOC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000295609533 303241754 /nfs/dbraw/zinc/24/17/54/303241754.db2.gz VFIZXIUQWMMJTL-INIZCTEOSA-N 1 1 326.393 1.829 20 5 EDBDMO O=C(NCCC[NH+]1CCOCC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000298097412 303497143 /nfs/dbraw/zinc/49/71/43/303497143.db2.gz UJGOBCUWTUFKKK-UHFFFAOYSA-N 1 1 332.360 1.528 20 5 EDBDMO C[C@@](O)(CNc1ccc2cc([N+](=O)[O-])ccc2n1)C[NH+]1CCOCC1 ZINC000301771744 303694522 /nfs/dbraw/zinc/69/45/22/303694522.db2.gz PNAFLHHRKOJTTF-QGZVFWFLSA-N 1 1 346.387 1.638 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000421775464 304813059 /nfs/dbraw/zinc/81/30/59/304813059.db2.gz PMFQJIMVCGCEAI-LBPRGKRZSA-N 1 1 335.404 1.910 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000428547042 305011312 /nfs/dbraw/zinc/01/13/12/305011312.db2.gz LJULKOLBOVTGCD-CYBMUJFWSA-N 1 1 345.359 1.147 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000441238013 305219344 /nfs/dbraw/zinc/21/93/44/305219344.db2.gz XRLPWHVHCQRLOX-JSGCOSHPSA-N 1 1 347.419 1.931 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441275958 305220197 /nfs/dbraw/zinc/22/01/97/305220197.db2.gz IWDSOBLJHRAXKH-UKRRQHHQSA-N 1 1 333.388 1.942 20 5 EDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448943946 305305116 /nfs/dbraw/zinc/30/51/16/305305116.db2.gz BGEJGWFTELFLKF-LLVKDONJSA-N 1 1 329.360 1.761 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448943946 305305117 /nfs/dbraw/zinc/30/51/17/305305117.db2.gz BGEJGWFTELFLKF-LLVKDONJSA-N 1 1 329.360 1.761 20 5 EDBDMO CC[C@H]1C[N@@H+](CC)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451734046 305365695 /nfs/dbraw/zinc/36/56/95/305365695.db2.gz WIBRUROLZVDXTD-HNNXBMFYSA-N 1 1 346.431 1.900 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000550109371 306150674 /nfs/dbraw/zinc/15/06/74/306150674.db2.gz CSQBVBKEKFCRDW-UHFFFAOYSA-N 1 1 349.387 1.938 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000550109371 306150675 /nfs/dbraw/zinc/15/06/75/306150675.db2.gz CSQBVBKEKFCRDW-UHFFFAOYSA-N 1 1 349.387 1.938 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000551746558 306161160 /nfs/dbraw/zinc/16/11/60/306161160.db2.gz KQTWPVZDHCBXQB-CYBMUJFWSA-N 1 1 348.403 1.648 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000551746558 306161161 /nfs/dbraw/zinc/16/11/61/306161161.db2.gz KQTWPVZDHCBXQB-CYBMUJFWSA-N 1 1 348.403 1.648 20 5 EDBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000047270971 441172210 /nfs/dbraw/zinc/17/22/10/441172210.db2.gz XBBFBQACFQOMQO-CQSZACIVSA-N 1 1 349.435 1.990 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000106863646 441380135 /nfs/dbraw/zinc/38/01/35/441380135.db2.gz OUPBIJSKXGFXHU-BXUZGUMPSA-N 1 1 337.376 1.777 20 5 EDBDMO 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CC(C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000161653217 442020008 /nfs/dbraw/zinc/02/00/08/442020008.db2.gz IDNVSRLKUJWBKC-CYBMUJFWSA-N 1 1 337.424 1.621 20 5 EDBDMO NC(=O)C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000175269802 442030418 /nfs/dbraw/zinc/03/04/18/442030418.db2.gz WTSJKCRABIAMRP-LBPRGKRZSA-N 1 1 334.376 1.511 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000162103825 442063829 /nfs/dbraw/zinc/06/38/29/442063829.db2.gz IKUQSWPUGPQUEC-LLVKDONJSA-N 1 1 345.396 1.805 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162125960 442066265 /nfs/dbraw/zinc/06/62/65/442066265.db2.gz HITYFUYTXSRAFV-AWEZNQCLSA-N 1 1 341.433 1.541 20 5 EDBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000176057626 442168315 /nfs/dbraw/zinc/16/83/15/442168315.db2.gz LCMDOOVWJKUSIN-LLVKDONJSA-N 1 1 343.380 1.511 20 5 EDBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221310 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ZAOVNRXJSTXCOI-ZDUSSCGKSA-N 1 1 327.406 1.499 20 5 EDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COC1CCOCC1)CC2 ZINC000131277890 442368387 /nfs/dbraw/zinc/36/83/87/442368387.db2.gz WWPHWAPHHBCKQE-INIZCTEOSA-N 1 1 336.388 1.509 20 5 EDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COC1CCOCC1)CC2 ZINC000131277890 442368390 /nfs/dbraw/zinc/36/83/90/442368390.db2.gz WWPHWAPHHBCKQE-INIZCTEOSA-N 1 1 336.388 1.509 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)CCOC ZINC000155521599 442404881 /nfs/dbraw/zinc/40/48/81/442404881.db2.gz MIIKBBZZNHGTCD-UHFFFAOYSA-N 1 1 345.421 1.014 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)CCOC ZINC000155521599 442404884 /nfs/dbraw/zinc/40/48/84/442404884.db2.gz MIIKBBZZNHGTCD-UHFFFAOYSA-N 1 1 345.421 1.014 20 5 EDBDMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000178836430 442498317 /nfs/dbraw/zinc/49/83/17/442498317.db2.gz FOEUJTYIVDWJNC-ZDUSSCGKSA-N 1 1 349.387 1.857 20 5 EDBDMO 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ZINC000186743390 442603340 /nfs/dbraw/zinc/60/33/40/442603340.db2.gz NFQNXULQMWKFSF-LBPRGKRZSA-N 1 1 336.392 1.904 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000186959817 442636571 /nfs/dbraw/zinc/63/65/71/442636571.db2.gz XJYHKWHKOHFISD-HSBSLETESA-N 1 1 347.415 1.912 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)C[C@H]2C1 ZINC000192464625 442649602 /nfs/dbraw/zinc/64/96/02/442649602.db2.gz LLJVJSMVMYZZTM-OZVIIMIRSA-N 1 1 344.371 1.108 20 5 EDBDMO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000181377966 442693432 /nfs/dbraw/zinc/69/34/32/442693432.db2.gz IVCCIWHIKASNBO-HNNXBMFYSA-N 1 1 329.360 1.423 20 5 EDBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000187931741 442699057 /nfs/dbraw/zinc/69/90/57/442699057.db2.gz DAILSIVPJJDSLB-SCLBCKFNSA-N 1 1 347.415 1.967 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000182113048 442737188 /nfs/dbraw/zinc/73/71/88/442737188.db2.gz PHMKEIWLLFTHMS-ZDUSSCGKSA-N 1 1 335.404 1.972 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183157025 442890942 /nfs/dbraw/zinc/89/09/42/442890942.db2.gz WXPHFLJXBGJJGT-NEPJUHHUSA-N 1 1 337.376 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183157025 442890946 /nfs/dbraw/zinc/89/09/46/442890946.db2.gz WXPHFLJXBGJJGT-NEPJUHHUSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183175460 442894830 /nfs/dbraw/zinc/89/48/30/442894830.db2.gz TWKCXXJJWKROQU-QJPTWQEYSA-N 1 1 337.376 1.633 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183175460 442894833 /nfs/dbraw/zinc/89/48/33/442894833.db2.gz TWKCXXJJWKROQU-QJPTWQEYSA-N 1 1 337.376 1.633 20 5 EDBDMO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000248477531 442896817 /nfs/dbraw/zinc/89/68/17/442896817.db2.gz YSQYKFWVSMJDCV-BXKDBHETSA-N 1 1 338.282 1.190 20 5 EDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000248477531 442896820 /nfs/dbraw/zinc/89/68/20/442896820.db2.gz YSQYKFWVSMJDCV-BXKDBHETSA-N 1 1 338.282 1.190 20 5 EDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000255524619 443101372 /nfs/dbraw/zinc/10/13/72/443101372.db2.gz BHCDRKIGBCAHMA-JEZWAEDTSA-N 1 1 347.415 1.961 20 5 EDBDMO CC(C)NC(=O)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185170373 443152963 /nfs/dbraw/zinc/15/29/63/443152963.db2.gz DDAVSLMINKBJMU-UHFFFAOYSA-N 1 1 340.355 1.519 20 5 EDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000269287429 443267615 /nfs/dbraw/zinc/26/76/15/443267615.db2.gz MWMUEIYXUWJTKG-UHFFFAOYSA-N 1 1 347.824 1.929 20 5 EDBDMO CNC(=O)C[NH+]1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278458418 443338342 /nfs/dbraw/zinc/33/83/42/443338342.db2.gz MIKMILUXNPTZIL-UHFFFAOYSA-N 1 1 332.364 1.093 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000272493286 443338420 /nfs/dbraw/zinc/33/84/20/443338420.db2.gz NEASOYZIEYZUHJ-KBPBESRZSA-N 1 1 335.408 1.351 20 5 EDBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269656851 443382466 /nfs/dbraw/zinc/38/24/66/443382466.db2.gz OTDOFTOIPKJBDV-NVXWUHKLSA-N 1 1 347.415 1.866 20 5 EDBDMO C[N@H+]1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000264716434 443389017 /nfs/dbraw/zinc/38/90/17/443389017.db2.gz GYNKUBWEAWGNIW-VIFPVBQESA-N 1 1 349.359 1.955 20 5 EDBDMO Cc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000264769093 443416201 /nfs/dbraw/zinc/41/62/01/443416201.db2.gz OCJKWNGSYXPPLN-LLVKDONJSA-N 1 1 331.376 1.877 20 5 EDBDMO COc1cc(OCC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000272752157 443433052 /nfs/dbraw/zinc/43/30/52/443433052.db2.gz DZNLPVIDXQSWFQ-GFCCVEGCSA-N 1 1 349.387 1.749 20 5 EDBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000272906197 443485736 /nfs/dbraw/zinc/48/57/36/443485736.db2.gz NAXPPFIMZOIZRH-MFKMUULPSA-N 1 1 342.421 1.383 20 5 EDBDMO Cc1cc(C(=O)NCC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000272791345 443446076 /nfs/dbraw/zinc/44/60/76/443446076.db2.gz AVGXLXYVIGKAJT-ZDUSSCGKSA-N 1 1 348.403 1.043 20 5 EDBDMO Nc1c(C(=O)NCC[NH+]2CCSCC2)cc(F)cc1[N+](=O)[O-] ZINC000264844330 443450343 /nfs/dbraw/zinc/45/03/43/443450343.db2.gz YBCIYCFSMOJLPC-UHFFFAOYSA-N 1 1 328.369 1.095 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267686838 443540866 /nfs/dbraw/zinc/54/08/66/443540866.db2.gz QLRPDOYHXVNYPU-YPMHNXCESA-N 1 1 341.433 1.775 20 5 EDBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265075663 443524698 /nfs/dbraw/zinc/52/46/98/443524698.db2.gz YFQAKHRZANZLCH-CYBMUJFWSA-N 1 1 327.406 1.138 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc([N+](=O)[O-])c1 ZINC000423677307 319801433 /nfs/dbraw/zinc/80/14/33/319801433.db2.gz HCRQHRHPPQQHCB-HNNXBMFYSA-N 1 1 339.323 1.155 20 5 EDBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000274015593 443591912 /nfs/dbraw/zinc/59/19/12/443591912.db2.gz ORLUTZOYVBPOQU-AWEZNQCLSA-N 1 1 348.403 1.900 20 5 EDBDMO COc1cc(N2CCC([N@@H+](C)CCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000272158290 443543430 /nfs/dbraw/zinc/54/34/30/443543430.db2.gz DUIBCOFALYPFNL-UHFFFAOYSA-N 1 1 327.356 1.635 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000272338252 443596623 /nfs/dbraw/zinc/59/66/23/443596623.db2.gz OKTSUOGSHJALJM-WFASDCNBSA-N 1 1 346.387 1.394 20 5 EDBDMO Cn1ccnc1[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000280140726 443671562 /nfs/dbraw/zinc/67/15/62/443671562.db2.gz RALPGVFUOLHQQI-CVEARBPZSA-N 1 1 345.403 1.350 20 5 EDBDMO Cn1ccnc1[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000280140726 443671565 /nfs/dbraw/zinc/67/15/65/443671565.db2.gz RALPGVFUOLHQQI-CVEARBPZSA-N 1 1 345.403 1.350 20 5 EDBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@@H]21 ZINC000452112978 320242065 /nfs/dbraw/zinc/24/20/65/320242065.db2.gz ZDZLMTVACMZKPV-CWRNSKLLSA-N 1 1 336.388 1.691 20 5 EDBDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000457600363 320330376 /nfs/dbraw/zinc/33/03/76/320330376.db2.gz PZVLGRSEMGSQEK-LBPRGKRZSA-N 1 1 330.348 1.208 20 5 EDBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286309982 443688310 /nfs/dbraw/zinc/68/83/10/443688310.db2.gz DXBUEVQFWCIINV-ZDUSSCGKSA-N 1 1 336.392 1.137 20 5 EDBDMO O=C([C@H]1CCC[N@H+]1C1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000280249417 443682831 /nfs/dbraw/zinc/68/28/31/443682831.db2.gz NCVBMZSLWRFTQN-MRXNPFEDSA-N 1 1 331.372 1.811 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000276802472 443833636 /nfs/dbraw/zinc/83/36/36/443833636.db2.gz KWJDRFRGIPJMEC-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000276802472 443833641 /nfs/dbraw/zinc/83/36/41/443833641.db2.gz KWJDRFRGIPJMEC-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO CNc1ccc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000532565812 320675158 /nfs/dbraw/zinc/67/51/58/320675158.db2.gz WHPBAFUTCKCPLN-UHFFFAOYSA-N 1 1 344.375 1.332 20 5 EDBDMO COc1c(F)cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000276854125 443853180 /nfs/dbraw/zinc/85/31/80/443853180.db2.gz HRLDQKVLRONVMU-VIFPVBQESA-N 1 1 347.368 1.115 20 5 EDBDMO COc1c(F)cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000276854125 443853185 /nfs/dbraw/zinc/85/31/85/443853185.db2.gz HRLDQKVLRONVMU-VIFPVBQESA-N 1 1 347.368 1.115 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285114988 443861481 /nfs/dbraw/zinc/86/14/81/443861481.db2.gz RDWZILLGDRBVMS-DGCLKSJQSA-N 1 1 334.376 1.615 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000298811488 443875053 /nfs/dbraw/zinc/87/50/53/443875053.db2.gz SUKKBNYDMGPXJV-LLVKDONJSA-N 1 1 332.316 1.640 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000298811488 443875056 /nfs/dbraw/zinc/87/50/56/443875056.db2.gz SUKKBNYDMGPXJV-LLVKDONJSA-N 1 1 332.316 1.640 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000292912707 443877309 /nfs/dbraw/zinc/87/73/09/443877309.db2.gz HOJWRBKMQATGNM-CVEARBPZSA-N 1 1 347.375 1.049 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000285297351 443931432 /nfs/dbraw/zinc/93/14/32/443931432.db2.gz LRYPGOKAPUVHLB-WDEREUQCSA-N 1 1 329.347 1.760 20 5 EDBDMO Cn1nccc1[C@H]1[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@H+]1C ZINC000285303994 443934271 /nfs/dbraw/zinc/93/42/71/443934271.db2.gz JPLHLEGAVPQIPA-XHDPSFHLSA-N 1 1 346.391 1.469 20 5 EDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299152466 443969018 /nfs/dbraw/zinc/96/90/18/443969018.db2.gz MVKPLPSGWSOSMM-TUAOUCFPSA-N 1 1 335.408 1.867 20 5 EDBDMO COc1ccc(NC(=O)CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000293537431 444047155 /nfs/dbraw/zinc/04/71/55/444047155.db2.gz XRLMSCJASJEBKH-TXEJJXNPSA-N 1 1 336.392 1.566 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000289199470 444075698 /nfs/dbraw/zinc/07/56/98/444075698.db2.gz BFWYIAHRGHOETQ-WMLDXEAASA-N 1 1 346.387 1.856 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000558350401 321011696 /nfs/dbraw/zinc/01/16/96/321011696.db2.gz CTEUPOOKNLXOCM-CYBMUJFWSA-N 1 1 349.387 1.233 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000558350401 321011698 /nfs/dbraw/zinc/01/16/98/321011698.db2.gz CTEUPOOKNLXOCM-CYBMUJFWSA-N 1 1 349.387 1.233 20 5 EDBDMO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000564930222 321158358 /nfs/dbraw/zinc/15/83/58/321158358.db2.gz ZCKZKHDUJCBMKA-VXGBXAGGSA-N 1 1 329.740 1.190 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000571384857 321385408 /nfs/dbraw/zinc/38/54/08/321385408.db2.gz SFVFGEBWELFQRG-AWEZNQCLSA-N 1 1 348.403 1.784 20 5 EDBDMO Cn1ccnc1[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587366 321393373 /nfs/dbraw/zinc/39/33/73/321393373.db2.gz PUFZIOCEXKEDDB-ZIAGYGMSSA-N 1 1 346.387 1.558 20 5 EDBDMO COc1ccc(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000289486159 444156283 /nfs/dbraw/zinc/15/62/83/444156283.db2.gz FTFBZQNXIAHMAG-ZDUSSCGKSA-N 1 1 344.371 1.987 20 5 EDBDMO CC1=CC[N@@H+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000302156802 444206206 /nfs/dbraw/zinc/20/62/06/444206206.db2.gz NURIJYMPAJXKHR-UHFFFAOYSA-N 1 1 340.405 1.306 20 5 EDBDMO Cc1ccccc1-n1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)nn1 ZINC000289616271 444181449 /nfs/dbraw/zinc/18/14/49/444181449.db2.gz FJTSNOREAAFPHF-UHFFFAOYSA-N 1 1 327.348 1.470 20 5 EDBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301616777 444182501 /nfs/dbraw/zinc/18/25/01/444182501.db2.gz WATHWWQRBVNWGA-VXGBXAGGSA-N 1 1 331.376 1.743 20 5 EDBDMO C[C@H]1C[N@H+](C2CCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000302033085 444201589 /nfs/dbraw/zinc/20/15/89/444201589.db2.gz KXAVQNMJZKQVQN-ZDUSSCGKSA-N 1 1 335.404 1.777 20 5 EDBDMO Cc1c(CC(=O)NCCC[N@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000290140207 444247141 /nfs/dbraw/zinc/24/71/41/444247141.db2.gz NSMOTOOXMVGGMS-UHFFFAOYSA-N 1 1 336.436 1.445 20 5 EDBDMO Cc1c(CC(=O)NCCCN(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000290140207 444247143 /nfs/dbraw/zinc/24/71/43/444247143.db2.gz NSMOTOOXMVGGMS-UHFFFAOYSA-N 1 1 336.436 1.445 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000290186979 444252639 /nfs/dbraw/zinc/25/26/39/444252639.db2.gz RJNLJHNFJNFPCX-UHFFFAOYSA-N 1 1 336.436 1.859 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000290186979 444252641 /nfs/dbraw/zinc/25/26/41/444252641.db2.gz RJNLJHNFJNFPCX-UHFFFAOYSA-N 1 1 336.436 1.859 20 5 EDBDMO C[C@@]1(c2ccccc2)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000305048061 444255619 /nfs/dbraw/zinc/25/56/19/444255619.db2.gz BNGKKODWTORTBG-SJORKVTESA-N 1 1 346.387 1.400 20 5 EDBDMO C[C@@]1(c2ccccc2)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000305048061 444255621 /nfs/dbraw/zinc/25/56/21/444255621.db2.gz BNGKKODWTORTBG-SJORKVTESA-N 1 1 346.387 1.400 20 5 EDBDMO Cn1cc(C[C@@H]2CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000305170495 444262158 /nfs/dbraw/zinc/26/21/58/444262158.db2.gz JLHTZKYTLUQJKJ-SUMWQHHRSA-N 1 1 330.388 1.926 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1CO ZINC000305744922 444277036 /nfs/dbraw/zinc/27/70/36/444277036.db2.gz UWTOXJCMOHORES-DOMZBBRYSA-N 1 1 349.387 1.986 20 5 EDBDMO Cc1noc([C@@]2(O)CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000290421446 444278783 /nfs/dbraw/zinc/27/87/83/444278783.db2.gz KRTZFVIWUBLSRP-MQDFFIGUSA-N 1 1 330.344 1.893 20 5 EDBDMO Cc1noc([C@@]2(O)CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000290421446 444278786 /nfs/dbraw/zinc/27/87/86/444278786.db2.gz KRTZFVIWUBLSRP-MQDFFIGUSA-N 1 1 330.344 1.893 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000305781343 444280548 /nfs/dbraw/zinc/28/05/48/444280548.db2.gz UMHWOZPWRBCHBK-LLVKDONJSA-N 1 1 335.282 1.778 20 5 EDBDMO Cc1cccc(C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290556271 444294618 /nfs/dbraw/zinc/29/46/18/444294618.db2.gz FJBGXLBIOCAVGT-UHFFFAOYSA-N 1 1 336.436 1.859 20 5 EDBDMO Cc1cccc(C(=O)N(C)CCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000290556271 444294620 /nfs/dbraw/zinc/29/46/20/444294620.db2.gz FJBGXLBIOCAVGT-UHFFFAOYSA-N 1 1 336.436 1.859 20 5 EDBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000290610394 444301230 /nfs/dbraw/zinc/30/12/30/444301230.db2.gz CSXDJGYZSDCENN-LLVKDONJSA-N 1 1 344.437 1.775 20 5 EDBDMO CC[N@@H+](CCCO)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000343762320 444572320 /nfs/dbraw/zinc/57/23/20/444572320.db2.gz FIXWXSXUCOZQGN-LLVKDONJSA-N 1 1 325.365 1.635 20 5 EDBDMO O=C(NCc1nccn1CC(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000340918777 444575492 /nfs/dbraw/zinc/57/54/92/444575492.db2.gz BYFIIXZAXFSNEV-UHFFFAOYSA-N 1 1 345.237 1.384 20 5 EDBDMO COc1ccc(OCC[N@H+]2CC[C@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1 ZINC000341002525 444625428 /nfs/dbraw/zinc/62/54/28/444625428.db2.gz VPYAREKWDWUZRH-ZDUSSCGKSA-N 1 1 349.387 1.679 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000342384614 444668007 /nfs/dbraw/zinc/66/80/07/444668007.db2.gz VGWURVPJUSNRRQ-CABCVRRESA-N 1 1 346.387 1.868 20 5 EDBDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000341039943 444647009 /nfs/dbraw/zinc/64/70/09/444647009.db2.gz DYYAYFHWNSOFDI-HFAKWTLXSA-N 1 1 337.376 1.633 20 5 EDBDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000341039943 444647013 /nfs/dbraw/zinc/64/70/13/444647013.db2.gz DYYAYFHWNSOFDI-HFAKWTLXSA-N 1 1 337.376 1.633 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343975184 444704019 /nfs/dbraw/zinc/70/40/19/444704019.db2.gz RMQTYHVZRGTAJX-GXTWGEPZSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000343975184 444704022 /nfs/dbraw/zinc/70/40/22/444704022.db2.gz RMQTYHVZRGTAJX-GXTWGEPZSA-N 1 1 341.433 1.973 20 5 EDBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344052673 444751788 /nfs/dbraw/zinc/75/17/88/444751788.db2.gz IKKVZMIBYYZRPS-JGGQBBKZSA-N 1 1 331.372 1.187 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344092487 444777046 /nfs/dbraw/zinc/77/70/46/444777046.db2.gz VRZVZHUQOMLPPS-JKOKRWQUSA-N 1 1 335.360 1.245 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344092487 444777052 /nfs/dbraw/zinc/77/70/52/444777052.db2.gz VRZVZHUQOMLPPS-JKOKRWQUSA-N 1 1 335.360 1.245 20 5 EDBDMO CC[N@@H+](CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C(C)C ZINC000338811145 444863591 /nfs/dbraw/zinc/86/35/91/444863591.db2.gz IGRCOOWIUWNOEX-UHFFFAOYSA-N 1 1 325.413 1.645 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2Cn2cc(C3CC3)nn2)c1 ZINC000344313474 444895483 /nfs/dbraw/zinc/89/54/83/444895483.db2.gz PNSOABVIYLYMOY-ZDUSSCGKSA-N 1 1 331.380 1.425 20 5 EDBDMO COc1c(C(=O)N(C)C[C@H]2C[C@H](OC)C[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000344508305 445021887 /nfs/dbraw/zinc/02/18/87/445021887.db2.gz GCWOKUPVRRDPRV-NEPJUHHUSA-N 1 1 337.376 1.395 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000341751558 444985647 /nfs/dbraw/zinc/98/56/47/444985647.db2.gz SATMADJIPKYEFE-DGCLKSJQSA-N 1 1 349.309 1.534 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000341751558 444985649 /nfs/dbraw/zinc/98/56/49/444985649.db2.gz SATMADJIPKYEFE-DGCLKSJQSA-N 1 1 349.309 1.534 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330451844 444986650 /nfs/dbraw/zinc/98/66/50/444986650.db2.gz URAMBVKQRHPRMJ-AWEZNQCLSA-N 1 1 341.433 1.746 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000337284147 445015435 /nfs/dbraw/zinc/01/54/35/445015435.db2.gz JIIVPAKGINUCQG-FPCVCCKLSA-N 1 1 338.408 1.168 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330596123 445053455 /nfs/dbraw/zinc/05/34/55/445053455.db2.gz XYMKZEFTDIUXBM-KGLIPLIRSA-N 1 1 334.420 1.972 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)C[N@@H+]1C ZINC000330575067 445043051 /nfs/dbraw/zinc/04/30/51/445043051.db2.gz FWIQYDAQSQBVBR-OLZOCXBDSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)C[N@H+]1C ZINC000330575067 445043055 /nfs/dbraw/zinc/04/30/55/445043055.db2.gz FWIQYDAQSQBVBR-OLZOCXBDSA-N 1 1 343.387 1.945 20 5 EDBDMO COc1cc(CN(C)C[C@@H]2C[C@@H](OC)C[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000345144555 445169263 /nfs/dbraw/zinc/16/92/63/445169263.db2.gz FXBGXXIABVNZMS-QWHCGFSZSA-N 1 1 341.383 1.893 20 5 EDBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000343505332 445235506 /nfs/dbraw/zinc/23/55/06/445235506.db2.gz DKFKEKMZOHEWLZ-QWHCGFSZSA-N 1 1 335.408 1.612 20 5 EDBDMO CC1(C)COCC[N@@H+]1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347407070 445237640 /nfs/dbraw/zinc/23/76/40/445237640.db2.gz KNEWCTBBDINUMM-UHFFFAOYSA-N 1 1 331.376 2.061 20 5 EDBDMO CC1(C)COCC[N@H+]1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347407070 445237642 /nfs/dbraw/zinc/23/76/42/445237642.db2.gz KNEWCTBBDINUMM-UHFFFAOYSA-N 1 1 331.376 2.061 20 5 EDBDMO COc1cccc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000347767586 445248103 /nfs/dbraw/zinc/24/81/03/445248103.db2.gz FFEWJUBYJPBGJC-OLZOCXBDSA-N 1 1 335.360 1.149 20 5 EDBDMO C[N@@H+](Cc1ccccc1)C1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000343614063 445263322 /nfs/dbraw/zinc/26/33/22/445263322.db2.gz BTILICBLRWVGRF-UHFFFAOYSA-N 1 1 338.371 1.958 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348548851 445323005 /nfs/dbraw/zinc/32/30/05/445323005.db2.gz HBIOKXNBBONQEL-OCCSQVGLSA-N 1 1 338.360 1.492 20 5 EDBDMO CC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000351888907 445356777 /nfs/dbraw/zinc/35/67/77/445356777.db2.gz RMBBOCNZLDDXDX-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO CC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000351888907 445356779 /nfs/dbraw/zinc/35/67/79/445356779.db2.gz RMBBOCNZLDDXDX-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@H](N3CCOCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351998590 445427258 /nfs/dbraw/zinc/42/72/58/445427258.db2.gz WLDZKYCVOSKMDH-ZFWWWQNUSA-N 1 1 335.404 1.898 20 5 EDBDMO Cc1cccc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000362465126 445395802 /nfs/dbraw/zinc/39/58/02/445395802.db2.gz IEHHLTWCXYYYIA-KBPBESRZSA-N 1 1 333.388 1.886 20 5 EDBDMO Cc1cccc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000362465126 445395807 /nfs/dbraw/zinc/39/58/07/445395807.db2.gz IEHHLTWCXYYYIA-KBPBESRZSA-N 1 1 333.388 1.886 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000363098962 445677784 /nfs/dbraw/zinc/67/77/84/445677784.db2.gz INBGWDMACKDDOQ-GHMZBOCLSA-N 1 1 329.360 1.828 20 5 EDBDMO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000363098962 445677786 /nfs/dbraw/zinc/67/77/86/445677786.db2.gz INBGWDMACKDDOQ-GHMZBOCLSA-N 1 1 329.360 1.828 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000363098962 445677787 /nfs/dbraw/zinc/67/77/87/445677787.db2.gz INBGWDMACKDDOQ-GHMZBOCLSA-N 1 1 329.360 1.828 20 5 EDBDMO Cc1ccnc(NC[C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000363135493 445691865 /nfs/dbraw/zinc/69/18/65/445691865.db2.gz VNKJRDPKDZXSAR-CQSZACIVSA-N 1 1 330.392 1.929 20 5 EDBDMO CN(C)C(=O)C[N@@H+]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000363214817 445723921 /nfs/dbraw/zinc/72/39/21/445723921.db2.gz ZHJOKWWRKSQTEX-UHFFFAOYSA-N 1 1 338.383 1.330 20 5 EDBDMO CN(C)C(=O)C[N@H+]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000363214817 445723923 /nfs/dbraw/zinc/72/39/23/445723923.db2.gz ZHJOKWWRKSQTEX-UHFFFAOYSA-N 1 1 338.383 1.330 20 5 EDBDMO Cn1cc(C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000363306746 445759469 /nfs/dbraw/zinc/75/94/69/445759469.db2.gz LCEBERYIAMKPMZ-CYBMUJFWSA-N 1 1 343.387 1.831 20 5 EDBDMO Cn1cc(C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000363306746 445759475 /nfs/dbraw/zinc/75/94/75/445759475.db2.gz LCEBERYIAMKPMZ-CYBMUJFWSA-N 1 1 343.387 1.831 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000354056656 445879336 /nfs/dbraw/zinc/87/93/36/445879336.db2.gz KUWRWTMBSKSUNJ-GBXSZLQWSA-N 1 1 339.417 1.622 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000354056656 445879339 /nfs/dbraw/zinc/87/93/39/445879339.db2.gz KUWRWTMBSKSUNJ-GBXSZLQWSA-N 1 1 339.417 1.622 20 5 EDBDMO COc1cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000361588659 445836729 /nfs/dbraw/zinc/83/67/29/445836729.db2.gz SHPAALUQHZOVMB-MFKMUULPSA-N 1 1 328.340 1.714 20 5 EDBDMO COc1cc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000361588659 445836733 /nfs/dbraw/zinc/83/67/33/445836733.db2.gz SHPAALUQHZOVMB-MFKMUULPSA-N 1 1 328.340 1.714 20 5 EDBDMO CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000365100023 446024286 /nfs/dbraw/zinc/02/42/86/446024286.db2.gz NLTMDHQKNYKAJK-CYBMUJFWSA-N 1 1 344.371 1.891 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CCN(C3CCC3)CC2)c1 ZINC000583867321 326154813 /nfs/dbraw/zinc/15/48/13/326154813.db2.gz AEUHINVWGKFRDR-QGZVFWFLSA-N 1 1 349.431 1.941 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CNC2CC[NH+](C3CCC3)CC2)c1 ZINC000583867321 326154814 /nfs/dbraw/zinc/15/48/14/326154814.db2.gz AEUHINVWGKFRDR-QGZVFWFLSA-N 1 1 349.431 1.941 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000356853103 446072418 /nfs/dbraw/zinc/07/24/18/446072418.db2.gz NTZMODFHRFJTLK-XQQFMLRXSA-N 1 1 348.403 1.264 20 5 EDBDMO COc1ccc(F)c(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000361930237 446080044 /nfs/dbraw/zinc/08/00/44/446080044.db2.gz PKSGEHXTCISJQT-UHFFFAOYSA-N 1 1 349.366 1.761 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@H](C)C1 ZINC000356899270 446106088 /nfs/dbraw/zinc/10/60/88/446106088.db2.gz DSGJKJJXFVUKPM-NEPJUHHUSA-N 1 1 346.387 1.603 20 5 EDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351579813 446177000 /nfs/dbraw/zinc/17/70/00/446177000.db2.gz JEIXTRFMDGGODL-VHSXEESVSA-N 1 1 338.339 1.223 20 5 EDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351579813 446177004 /nfs/dbraw/zinc/17/70/04/446177004.db2.gz JEIXTRFMDGGODL-VHSXEESVSA-N 1 1 338.339 1.223 20 5 EDBDMO CCc1n[nH]c(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2CC)c1[N+](=O)[O-] ZINC000365534762 446243999 /nfs/dbraw/zinc/24/39/99/446243999.db2.gz OUALFHNUQWMYPF-NWDGAFQWSA-N 1 1 335.408 1.969 20 5 EDBDMO CCc1[nH]nc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2CC)c1[N+](=O)[O-] ZINC000365534762 446244003 /nfs/dbraw/zinc/24/40/03/446244003.db2.gz OUALFHNUQWMYPF-NWDGAFQWSA-N 1 1 335.408 1.969 20 5 EDBDMO CCc1[nH]nc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2CC)c1[N+](=O)[O-] ZINC000365534762 446244009 /nfs/dbraw/zinc/24/40/09/446244009.db2.gz OUALFHNUQWMYPF-NWDGAFQWSA-N 1 1 335.408 1.969 20 5 EDBDMO CC[N@@H+]1CCO[C@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000351615105 446209736 /nfs/dbraw/zinc/20/97/36/446209736.db2.gz LEYIGJGTXMTZQX-AWEZNQCLSA-N 1 1 341.795 1.628 20 5 EDBDMO CC[N@H+]1CCO[C@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000351615105 446209740 /nfs/dbraw/zinc/20/97/40/446209740.db2.gz LEYIGJGTXMTZQX-AWEZNQCLSA-N 1 1 341.795 1.628 20 5 EDBDMO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCc2[nH+]ccn21 ZINC000365652827 446288906 /nfs/dbraw/zinc/28/89/06/446288906.db2.gz BTTJGVLKWKSFFI-CYBMUJFWSA-N 1 1 340.343 1.861 20 5 EDBDMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000362316554 446316770 /nfs/dbraw/zinc/31/67/70/446316770.db2.gz CLIOLIJZLYCGPE-OAHLLOKOSA-N 1 1 344.339 1.800 20 5 EDBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000366709523 446318028 /nfs/dbraw/zinc/31/80/28/446318028.db2.gz KMSPQTZHUWNSKY-OAHLLOKOSA-N 1 1 339.417 1.595 20 5 EDBDMO C[NH+](C)Cc1cc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)no1 ZINC000359616958 446322294 /nfs/dbraw/zinc/32/22/94/446322294.db2.gz FMQQXNFRTITHQQ-UHFFFAOYSA-N 1 1 346.343 1.679 20 5 EDBDMO COc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000359629164 446327039 /nfs/dbraw/zinc/32/70/39/446327039.db2.gz GEGUKWRDMLQRCA-WDEREUQCSA-N 1 1 327.356 1.634 20 5 EDBDMO COc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000359629164 446327045 /nfs/dbraw/zinc/32/70/45/446327045.db2.gz GEGUKWRDMLQRCA-WDEREUQCSA-N 1 1 327.356 1.634 20 5 EDBDMO Cc1cc(C2=CC[N@H+](CC(=O)N3CCC3)CC2)cc([N+](=O)[O-])c1N ZINC000365883944 446386664 /nfs/dbraw/zinc/38/66/64/446386664.db2.gz GUXJEHWESCORGQ-UHFFFAOYSA-N 1 1 330.388 1.807 20 5 EDBDMO Cc1cc(C2=CC[N@@H+](CC(=O)N3CCC3)CC2)cc([N+](=O)[O-])c1N ZINC000365883944 446386669 /nfs/dbraw/zinc/38/66/69/446386669.db2.gz GUXJEHWESCORGQ-UHFFFAOYSA-N 1 1 330.388 1.807 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000376330076 446432232 /nfs/dbraw/zinc/43/22/32/446432232.db2.gz BHTCXYFDKWOPIL-STQMWFEESA-N 1 1 344.375 1.769 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000376330076 446432238 /nfs/dbraw/zinc/43/22/38/446432238.db2.gz BHTCXYFDKWOPIL-STQMWFEESA-N 1 1 344.375 1.769 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000366929921 446414913 /nfs/dbraw/zinc/41/49/13/446414913.db2.gz NIRUPWMPNPPDEH-IIAWOOMASA-N 1 1 336.388 1.978 20 5 EDBDMO CCCc1n[nH]c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000370880555 446496660 /nfs/dbraw/zinc/49/66/60/446496660.db2.gz GRZVJHQBYXDMBS-OLZOCXBDSA-N 1 1 335.408 1.969 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000370880555 446496666 /nfs/dbraw/zinc/49/66/66/446496666.db2.gz GRZVJHQBYXDMBS-OLZOCXBDSA-N 1 1 335.408 1.969 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000370880555 446496669 /nfs/dbraw/zinc/49/66/69/446496669.db2.gz GRZVJHQBYXDMBS-OLZOCXBDSA-N 1 1 335.408 1.969 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000411401347 446521877 /nfs/dbraw/zinc/52/18/77/446521877.db2.gz XCWRWUIVXHGRPM-ZDUSSCGKSA-N 1 1 348.403 1.703 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@H](C)C1 ZINC000371110514 446634916 /nfs/dbraw/zinc/63/49/16/446634916.db2.gz ZDXBFHOZXONVCH-GFCCVEGCSA-N 1 1 337.376 1.900 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375293556 446698328 /nfs/dbraw/zinc/69/83/28/446698328.db2.gz RKSPDOGRAQTDQI-UHFFFAOYSA-N 1 1 332.364 1.339 20 5 EDBDMO C[C@@H]1C[N@@H+](CCN(C)c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000420605511 446699780 /nfs/dbraw/zinc/69/97/80/446699780.db2.gz AOIJPWMURBOMJB-TXEJJXNPSA-N 1 1 336.392 1.239 20 5 EDBDMO C[C@@H]1C[N@H+](CCN(C)c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000420605511 446699782 /nfs/dbraw/zinc/69/97/82/446699782.db2.gz AOIJPWMURBOMJB-TXEJJXNPSA-N 1 1 336.392 1.239 20 5 EDBDMO O=C1NC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]12 ZINC000368213558 446713560 /nfs/dbraw/zinc/71/35/60/446713560.db2.gz BGFNULHIXFOIOO-PWSUYJOCSA-N 1 1 341.314 1.764 20 5 EDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]12 ZINC000368213558 446713565 /nfs/dbraw/zinc/71/35/65/446713565.db2.gz BGFNULHIXFOIOO-PWSUYJOCSA-N 1 1 341.314 1.764 20 5 EDBDMO COC(=O)[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+](C)C1 ZINC000411913338 446726861 /nfs/dbraw/zinc/72/68/61/446726861.db2.gz IYFFVQJSVZTDNK-LLVKDONJSA-N 1 1 347.375 1.008 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411941079 446751797 /nfs/dbraw/zinc/75/17/97/446751797.db2.gz KZARELUGDPOTNM-RYUDHWBXSA-N 1 1 334.376 1.332 20 5 EDBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3)C2)c1 ZINC000375389426 446765201 /nfs/dbraw/zinc/76/52/01/446765201.db2.gz GKTZAUQHJGWDKD-GDBMZVCRSA-N 1 1 346.387 1.868 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000420759070 446797613 /nfs/dbraw/zinc/79/76/13/446797613.db2.gz DHUOUNIXFWTGME-CYBMUJFWSA-N 1 1 327.406 1.451 20 5 EDBDMO Cc1c(NC(=O)N2CCC[N@H+]([C@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000376957122 446821133 /nfs/dbraw/zinc/82/11/33/446821133.db2.gz IUAFKCPGHYEYJS-GFCCVEGCSA-N 1 1 336.392 1.824 20 5 EDBDMO C[C@H]1C[C@@H](CO)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000420932658 446903914 /nfs/dbraw/zinc/90/39/14/446903914.db2.gz FFCUGVWHHIATDE-QWHCGFSZSA-N 1 1 333.388 1.434 20 5 EDBDMO C[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000420932658 446903917 /nfs/dbraw/zinc/90/39/17/446903917.db2.gz FFCUGVWHHIATDE-QWHCGFSZSA-N 1 1 333.388 1.434 20 5 EDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[C@@H]2C1 ZINC000425048856 447003677 /nfs/dbraw/zinc/00/36/77/447003677.db2.gz OPVFZQVCBVKKLN-SMDDNHRTSA-N 1 1 347.371 1.532 20 5 EDBDMO Cc1cc(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)ccc1[N+](=O)[O-] ZINC000455081674 447043362 /nfs/dbraw/zinc/04/33/62/447043362.db2.gz HLVWSKXIMWJNHH-AWEZNQCLSA-N 1 1 336.392 1.872 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444645546 447114591 /nfs/dbraw/zinc/11/45/91/447114591.db2.gz ZRTKGGCHZKBJHC-CQSZACIVSA-N 1 1 331.376 1.962 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000421768397 447244329 /nfs/dbraw/zinc/24/43/29/447244329.db2.gz NWSHKCTVEHQQIM-UHFFFAOYSA-N 1 1 348.447 1.921 20 5 EDBDMO COc1ccc(OCC[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000377665836 447282196 /nfs/dbraw/zinc/28/21/96/447282196.db2.gz BOBSNPKQUUEIMS-DGCLKSJQSA-N 1 1 335.360 1.050 20 5 EDBDMO COc1cc(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1[N+](=O)[O-] ZINC000420235291 447682156 /nfs/dbraw/zinc/68/21/56/447682156.db2.gz HODMVJVUOFIEKL-CYBMUJFWSA-N 1 1 334.376 1.004 20 5 EDBDMO CCCCNC(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459504847 447690200 /nfs/dbraw/zinc/69/02/00/447690200.db2.gz HSAXJFUXJJJWPY-UHFFFAOYSA-N 1 1 335.408 1.418 20 5 EDBDMO C[C@H]([NH3+])[C@@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430559481 447778569 /nfs/dbraw/zinc/77/85/69/447778569.db2.gz XHGRQLAHDDMHKN-QWHCGFSZSA-N 1 1 348.403 1.952 20 5 EDBDMO CS(=O)(=O)c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489905572 447879389 /nfs/dbraw/zinc/87/93/89/447879389.db2.gz AVLUQRJJKOFRQJ-SNVBAGLBSA-N 1 1 336.373 1.622 20 5 EDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000530491838 447898975 /nfs/dbraw/zinc/89/89/75/447898975.db2.gz CIZZEKFMOKCGGE-RYUDHWBXSA-N 1 1 342.421 1.389 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000524791028 447955558 /nfs/dbraw/zinc/95/55/58/447955558.db2.gz QKMMDDOEOPYTRW-SNVBAGLBSA-N 1 1 347.824 1.868 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000569986938 447931292 /nfs/dbraw/zinc/93/12/92/447931292.db2.gz KYHGHXPCEXYCIR-NSHDSACASA-N 1 1 333.392 1.518 20 5 EDBDMO COc1ccc(CC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000554141783 448014297 /nfs/dbraw/zinc/01/42/97/448014297.db2.gz JZYSMCISZNPWQS-KRWDZBQOSA-N 1 1 333.388 1.700 20 5 EDBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525183004 447974065 /nfs/dbraw/zinc/97/40/65/447974065.db2.gz HUMSWULFIKYGLM-GFCCVEGCSA-N 1 1 342.421 1.485 20 5 EDBDMO COC[C@@]1(C)CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000570591313 448035034 /nfs/dbraw/zinc/03/50/34/448035034.db2.gz DZAHIDNZYXJENK-PBHICJAKSA-N 1 1 347.371 1.585 20 5 EDBDMO COC[C@@]1(C)CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000570591313 448035036 /nfs/dbraw/zinc/03/50/36/448035036.db2.gz DZAHIDNZYXJENK-PBHICJAKSA-N 1 1 347.371 1.585 20 5 EDBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000505295919 448113067 /nfs/dbraw/zinc/11/30/67/448113067.db2.gz OBNHWKLXTGTUOU-CYBMUJFWSA-N 1 1 329.360 1.712 20 5 EDBDMO CNc1nccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000566440335 448472390 /nfs/dbraw/zinc/47/23/90/448472390.db2.gz DTRPUMZXFYLQQV-WCQYABFASA-N 1 1 333.392 1.588 20 5 EDBDMO CCc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000573482772 448638744 /nfs/dbraw/zinc/63/87/44/448638744.db2.gz KONHGASWQNPOCN-LBPRGKRZSA-N 1 1 327.406 1.530 20 5 EDBDMO C[C@@H]1C[C@@H](C)C[NH+](CCCNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000578950048 448673695 /nfs/dbraw/zinc/67/36/95/448673695.db2.gz QCJNQOXNRQVISS-IIAWOOMASA-N 1 1 339.440 1.110 20 5 EDBDMO COc1cc(OCC(=O)N2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000584790163 448634592 /nfs/dbraw/zinc/63/45/92/448634592.db2.gz LPBQXHXLMMDONP-UHFFFAOYSA-N 1 1 337.376 1.535 20 5 EDBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000586119870 448793533 /nfs/dbraw/zinc/79/35/33/448793533.db2.gz JUUFSOUHDFISBJ-UHFFFAOYSA-N 1 1 343.387 1.974 20 5 EDBDMO COCC[N@@H+](C)C[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000568649884 448902018 /nfs/dbraw/zinc/90/20/18/448902018.db2.gz PGHDOTMOEFABBM-CYBMUJFWSA-N 1 1 325.409 1.359 20 5 EDBDMO COCCN(C)C[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000568649884 448902021 /nfs/dbraw/zinc/90/20/21/448902021.db2.gz PGHDOTMOEFABBM-CYBMUJFWSA-N 1 1 325.409 1.359 20 5 EDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000520606162 448916707 /nfs/dbraw/zinc/91/67/07/448916707.db2.gz KWCUPWBOYAXGSY-FRRDWIJNSA-N 1 1 347.419 2.049 20 5 EDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000574960671 448998858 /nfs/dbraw/zinc/99/88/58/448998858.db2.gz YEAOIKWEXJRMEC-GFCCVEGCSA-N 1 1 329.360 1.664 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000574960671 448998864 /nfs/dbraw/zinc/99/88/64/448998864.db2.gz YEAOIKWEXJRMEC-GFCCVEGCSA-N 1 1 329.360 1.664 20 5 EDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589515676 449028088 /nfs/dbraw/zinc/02/80/88/449028088.db2.gz YRDBTCVHCURMCE-MRXNPFEDSA-N 1 1 335.360 1.339 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000589930210 449084084 /nfs/dbraw/zinc/08/40/84/449084084.db2.gz UNWPBXOBDYRRAV-TZMCWYRMSA-N 1 1 325.390 1.061 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000589930220 449084504 /nfs/dbraw/zinc/08/45/04/449084504.db2.gz UXXWHJNHLDDSBB-GXTWGEPZSA-N 1 1 325.390 1.061 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C2(CO)CCOCC2)c1 ZINC000593027680 449106748 /nfs/dbraw/zinc/10/67/48/449106748.db2.gz WGPFIPNKIPQCHJ-UHFFFAOYSA-N 1 1 338.360 1.355 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000603930348 449161806 /nfs/dbraw/zinc/16/18/06/449161806.db2.gz RFGCTIDWMUHAMU-LLVKDONJSA-N 1 1 342.421 1.529 20 5 EDBDMO CC[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000611088169 449164788 /nfs/dbraw/zinc/16/47/88/449164788.db2.gz HVOUXBDBRAOERT-GFCCVEGCSA-N 1 1 337.376 1.535 20 5 EDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000593732671 449168391 /nfs/dbraw/zinc/16/83/91/449168391.db2.gz QQXOYCJBUYOORZ-CQSZACIVSA-N 1 1 339.367 1.239 20 5 EDBDMO CN(C(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595735488 449137780 /nfs/dbraw/zinc/13/77/80/449137780.db2.gz AJEGVFWZBBFUCI-WFASDCNBSA-N 1 1 346.387 1.158 20 5 EDBDMO CN(C(=O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595735488 449137783 /nfs/dbraw/zinc/13/77/83/449137783.db2.gz AJEGVFWZBBFUCI-WFASDCNBSA-N 1 1 346.387 1.158 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000590376337 449139852 /nfs/dbraw/zinc/13/98/52/449139852.db2.gz WNHQPVXFLNWTHC-UHFFFAOYSA-N 1 1 335.408 1.828 20 5 EDBDMO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@H]2O1 ZINC000593118569 449143428 /nfs/dbraw/zinc/14/34/28/449143428.db2.gz ZLYVVFVRUQSPJH-HUUCEWRRSA-N 1 1 349.387 1.802 20 5 EDBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@H]2O1 ZINC000593118569 449143430 /nfs/dbraw/zinc/14/34/30/449143430.db2.gz ZLYVVFVRUQSPJH-HUUCEWRRSA-N 1 1 349.387 1.802 20 5 EDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+](CCCF)CC1 ZINC000600071954 449170710 /nfs/dbraw/zinc/17/07/10/449170710.db2.gz JRGPCGPOSPHDSX-UHFFFAOYSA-N 1 1 338.383 1.901 20 5 EDBDMO CC(C)N1CC[NH+](C2CCN(c3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC000611166096 449195799 /nfs/dbraw/zinc/19/57/99/449195799.db2.gz APOHXLXZOOQYCY-UHFFFAOYSA-N 1 1 336.440 1.323 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595834904 449197409 /nfs/dbraw/zinc/19/74/09/449197409.db2.gz SXOZZZPONKGQOV-OLZOCXBDSA-N 1 1 349.387 1.900 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000590601108 449214729 /nfs/dbraw/zinc/21/47/29/449214729.db2.gz OMJQBMAQQXLFQB-LBPRGKRZSA-N 1 1 336.392 1.568 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1 ZINC000600104876 449191084 /nfs/dbraw/zinc/19/10/84/449191084.db2.gz AGNLQICFSYZVQA-UHFFFAOYSA-N 1 1 333.388 1.840 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000590564024 449193339 /nfs/dbraw/zinc/19/33/39/449193339.db2.gz BXUOFNDZJLCSNY-CVEARBPZSA-N 1 1 333.388 1.838 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])c1 ZINC000595906979 449246087 /nfs/dbraw/zinc/24/60/87/449246087.db2.gz PRHVGOGQRQOBQG-VXGBXAGGSA-N 1 1 340.355 1.303 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])c1 ZINC000595906979 449246091 /nfs/dbraw/zinc/24/60/91/449246091.db2.gz PRHVGOGQRQOBQG-VXGBXAGGSA-N 1 1 340.355 1.303 20 5 EDBDMO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000595966414 449287889 /nfs/dbraw/zinc/28/78/89/449287889.db2.gz FMJLVQUMYAKXKD-VXGBXAGGSA-N 1 1 333.323 1.333 20 5 EDBDMO COc1ccc(CC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000600316306 449315332 /nfs/dbraw/zinc/31/53/32/449315332.db2.gz ZIRJTHNKGOINON-AWEZNQCLSA-N 1 1 335.404 1.994 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000590762534 449281804 /nfs/dbraw/zinc/28/18/04/449281804.db2.gz COPWUWVDZBXMAI-GXTWGEPZSA-N 1 1 339.417 1.482 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594074736 449347262 /nfs/dbraw/zinc/34/72/62/449347262.db2.gz OLPLGPSZJUFXKO-QWHCGFSZSA-N 1 1 334.376 1.494 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598342580 449357223 /nfs/dbraw/zinc/35/72/23/449357223.db2.gz LGGKHQCRUVDBKO-AWEZNQCLSA-N 1 1 348.403 1.234 20 5 EDBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000602117067 449358317 /nfs/dbraw/zinc/35/83/17/449358317.db2.gz OBTWXCRWTVJNGY-DUVNUKRYSA-N 1 1 333.388 1.944 20 5 EDBDMO CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@@H+](C)C1 ZINC000596177160 449398263 /nfs/dbraw/zinc/39/82/63/449398263.db2.gz APNZBSUOVZCFLB-AWEZNQCLSA-N 1 1 336.392 1.839 20 5 EDBDMO COc1cc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000598454996 449404188 /nfs/dbraw/zinc/40/41/88/449404188.db2.gz YMVYYTFVJYQVLG-AWEZNQCLSA-N 1 1 349.387 1.275 20 5 EDBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000596192623 449405502 /nfs/dbraw/zinc/40/55/02/449405502.db2.gz FWSGZLANEFJWFF-SNVBAGLBSA-N 1 1 342.193 1.878 20 5 EDBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000596192623 449405507 /nfs/dbraw/zinc/40/55/07/449405507.db2.gz FWSGZLANEFJWFF-SNVBAGLBSA-N 1 1 342.193 1.878 20 5 EDBDMO CC(C)(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)n1cc([N+](=O)[O-])cn1 ZINC000594195132 449387559 /nfs/dbraw/zinc/38/75/59/449387559.db2.gz CFMUTZKDLULGAQ-KGLIPLIRSA-N 1 1 335.408 1.660 20 5 EDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000598512329 449435946 /nfs/dbraw/zinc/43/59/46/449435946.db2.gz XGWZOQSOWWOPBI-CQSZACIVSA-N 1 1 329.360 1.182 20 5 EDBDMO CC1(C)CC[C@H](CO)[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598647031 449517265 /nfs/dbraw/zinc/51/72/65/449517265.db2.gz JQURRXWSILVFCG-HUUCEWRRSA-N 1 1 338.404 1.817 20 5 EDBDMO CCN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000598910269 449642923 /nfs/dbraw/zinc/64/29/23/449642923.db2.gz XCQULDBRUUGGDK-AWEZNQCLSA-N 1 1 349.391 1.269 20 5 EDBDMO CC[NH+]1CCN(C(=O)CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599041924 449707810 /nfs/dbraw/zinc/70/78/10/449707810.db2.gz ZFJTXVRYRQGSJH-UHFFFAOYSA-N 1 1 343.387 1.719 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599105811 449738252 /nfs/dbraw/zinc/73/82/52/449738252.db2.gz FVOVNTVKYXOGGY-LLVKDONJSA-N 1 1 329.353 1.297 20 5 EDBDMO C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C2)C1 ZINC000594776583 449689063 /nfs/dbraw/zinc/68/90/63/449689063.db2.gz GDTHPUIUDTZGRM-CQSZACIVSA-N 1 1 340.405 1.096 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000602823043 449835309 /nfs/dbraw/zinc/83/53/09/449835309.db2.gz VCNBZZYGLPLSSD-CYBMUJFWSA-N 1 1 337.424 1.285 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601362883 449876129 /nfs/dbraw/zinc/87/61/29/449876129.db2.gz XVFCHOWCFDEEPH-VIFPVBQESA-N 1 1 333.435 1.585 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000602915660 449918403 /nfs/dbraw/zinc/91/84/03/449918403.db2.gz NYMYGNUAZFABEH-UHFFFAOYSA-N 1 1 337.424 1.286 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000595353376 450067544 /nfs/dbraw/zinc/06/75/44/450067544.db2.gz HHRGPZLKPTXQJM-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO Cc1c(C(=O)NCCCN2CCC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000609619894 450071425 /nfs/dbraw/zinc/07/14/25/450071425.db2.gz VTMDZVHONORMDB-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO Cc1c(C(=O)NCCC[N@H+]2CCCN(C)CC2)cccc1[N+](=O)[O-] ZINC000609619894 450071430 /nfs/dbraw/zinc/07/14/30/450071430.db2.gz VTMDZVHONORMDB-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO Cc1c(C(=O)NCCC[N@@H+]2CCCN(C)CC2)cccc1[N+](=O)[O-] ZINC000609619894 450071439 /nfs/dbraw/zinc/07/14/39/450071439.db2.gz VTMDZVHONORMDB-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO COc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000609399554 450024359 /nfs/dbraw/zinc/02/43/59/450024359.db2.gz FXCMIOIOTAZNBE-CYBMUJFWSA-N 1 1 336.392 1.744 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000595357103 450073413 /nfs/dbraw/zinc/07/34/13/450073413.db2.gz YFEJFKHREIPYNG-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO C[C@@H]1CN(CC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@H](C)O1 ZINC000595374607 450087433 /nfs/dbraw/zinc/08/74/33/450087433.db2.gz 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C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000816955133 593563557 /nfs/dbraw/zinc/56/35/57/593563557.db2.gz UVNFTSOKMABYMH-GUYCJALGSA-N 1 1 344.415 1.971 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000819063041 593736865 /nfs/dbraw/zinc/73/68/65/593736865.db2.gz VXURYOJMLGSXPQ-ZWKOTPCHSA-N 1 1 349.431 1.861 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820751927 593881398 /nfs/dbraw/zinc/88/13/98/593881398.db2.gz IVKXQTUYRLKUIZ-LDYMZIIASA-N 1 1 330.352 1.065 20 5 EDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC000825301444 594163367 /nfs/dbraw/zinc/16/33/67/594163367.db2.gz LITZMDHVIAMGQU-GFCCVEGCSA-N 1 1 345.407 1.943 20 5 EDBDMO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000830085566 594334366 /nfs/dbraw/zinc/33/43/66/594334366.db2.gz KEAFEGDLECUQSO-ZEGGKSINSA-N 1 1 343.767 1.579 20 5 EDBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000828097522 594340296 /nfs/dbraw/zinc/34/02/96/594340296.db2.gz CYVGFSAOTKXVET-RDJZCZTQSA-N 1 1 335.404 1.791 20 5 EDBDMO COCC[N@@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H]1C ZINC000826634035 594544037 /nfs/dbraw/zinc/54/40/37/594544037.db2.gz WBDYDVXNKHBCAK-PHIMTYICSA-N 1 1 326.372 1.862 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000826722644 594564133 /nfs/dbraw/zinc/56/41/33/594564133.db2.gz UTTRVNFTOIMQBD-LLVKDONJSA-N 1 1 338.383 1.872 20 5 EDBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000844484716 595349586 /nfs/dbraw/zinc/34/95/86/595349586.db2.gz GUIAASWYVOWRQB-LLVKDONJSA-N 1 1 340.767 1.531 20 5 EDBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000844484716 595349587 /nfs/dbraw/zinc/34/95/87/595349587.db2.gz GUIAASWYVOWRQB-LLVKDONJSA-N 1 1 340.767 1.531 20 5 EDBDMO NC(=O)C1CC[NH+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848473136 595388051 /nfs/dbraw/zinc/38/80/51/595388051.db2.gz CDXHRMRJONKSOB-HNNXBMFYSA-N 1 1 346.387 1.066 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000848591730 595412109 /nfs/dbraw/zinc/41/21/09/595412109.db2.gz XDAJFXRQWCTKMC-ZWNOBZJWSA-N 1 1 341.314 1.729 20 5 EDBDMO Cc1[nH+]cn(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000112980958 595590967 /nfs/dbraw/zinc/59/09/67/595590967.db2.gz SBNQCJJCJCHPJX-UHFFFAOYSA-N 1 1 343.387 1.757 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000855162417 595617425 /nfs/dbraw/zinc/61/74/25/595617425.db2.gz JJFVPXJDLQMAJA-DOMZBBRYSA-N 1 1 335.404 1.865 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000855166802 595617854 /nfs/dbraw/zinc/61/78/54/595617854.db2.gz QCVBWYDWJBPZEO-CYBMUJFWSA-N 1 1 349.387 1.775 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)c3ccccn3)CC2)cn1 ZINC000851717692 595895907 /nfs/dbraw/zinc/89/59/07/595895907.db2.gz VBPRGKUQQZCQSA-OAHLLOKOSA-N 1 1 329.360 1.240 20 5 EDBDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852697747 596229059 /nfs/dbraw/zinc/22/90/59/596229059.db2.gz CJFPIVVVEPNIJE-GDBMZVCRSA-N 1 1 335.404 1.865 20 5 EDBDMO Cc1c(Cc2noc([C@@H](C)N3CC[NH2+]CC3=O)n2)cccc1[N+](=O)[O-] ZINC000863663908 596649290 /nfs/dbraw/zinc/64/92/90/596649290.db2.gz MTOMBQIGKREKSN-LLVKDONJSA-N 1 1 345.359 1.370 20 5 EDBDMO C[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@H](C)[N@@H+]1CCO ZINC000865854468 596703086 /nfs/dbraw/zinc/70/30/86/596703086.db2.gz QDUCOHFARRJDGU-PHIMTYICSA-N 1 1 327.356 1.118 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000868233630 596738633 /nfs/dbraw/zinc/73/86/33/596738633.db2.gz XRRUDYVRFAZICP-CZUORRHYSA-N 1 1 348.403 1.709 20 5 EDBDMO COc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)CC[NH2+]2)cc1 ZINC000870142723 596769021 /nfs/dbraw/zinc/76/90/21/596769021.db2.gz MYACNCVEFCSWJQ-MRXNPFEDSA-N 1 1 342.355 1.785 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000874169926 596949936 /nfs/dbraw/zinc/94/99/36/596949936.db2.gz QRRHHJJYCAROJR-TZMCWYRMSA-N 1 1 346.387 1.394 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000873833719 597410573 /nfs/dbraw/zinc/41/05/73/597410573.db2.gz WIEJHHAFWKMJRA-UHFFFAOYSA-N 1 1 334.420 1.579 20 5 EDBDMO C[N@H+]1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000877207118 597462793 /nfs/dbraw/zinc/46/27/93/597462793.db2.gz ZNEDYSBGDUSEFX-KRWDZBQOSA-N 1 1 334.420 1.711 20 5 EDBDMO Cn1cc(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c([N+](=O)[O-])n1 ZINC000877570465 597537239 /nfs/dbraw/zinc/53/72/39/597537239.db2.gz IQYFDDNPNMXPJH-OCCSQVGLSA-N 1 1 336.392 1.836 20 5 EDBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764328 597553632 /nfs/dbraw/zinc/55/36/32/597553632.db2.gz AIQMLEYCYOVUED-AOOOYVTPSA-N 1 1 345.193 1.390 20 5 EDBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764328 597553633 /nfs/dbraw/zinc/55/36/33/597553633.db2.gz AIQMLEYCYOVUED-AOOOYVTPSA-N 1 1 345.193 1.390 20 5 EDBDMO CC(C)(O)[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000879962287 597785759 /nfs/dbraw/zinc/78/57/59/597785759.db2.gz LWXXHGIXULABST-AWEZNQCLSA-N 1 1 347.415 1.967 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880048932 597822382 /nfs/dbraw/zinc/82/23/82/597822382.db2.gz CFPGBGRBNLZFBB-NSHDSACASA-N 1 1 335.282 1.410 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880048932 597822383 /nfs/dbraw/zinc/82/23/83/597822383.db2.gz CFPGBGRBNLZFBB-NSHDSACASA-N 1 1 335.282 1.410 20 5 EDBDMO CC(C)(CCC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)[N+](=O)[O-] ZINC000880490796 597945444 /nfs/dbraw/zinc/94/54/44/597945444.db2.gz CVUXZSGKPWZOIF-OLZOCXBDSA-N 1 1 327.425 1.437 20 5 EDBDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn(C)nc2[N+](=O)[O-])cn1 ZINC000880520830 597953840 /nfs/dbraw/zinc/95/38/40/597953840.db2.gz JNDKKBUIRXGRBN-PHTAMDTFSA-N 1 1 330.392 1.972 20 5 EDBDMO COc1ccc(C)cc1C[NH+]1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000917419906 697016763 /nfs/dbraw/zinc/01/67/63/697016763.db2.gz ICIOJZVUXWWYLH-UHFFFAOYSA-N 1 1 345.403 1.884 20 5 EDBDMO C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000918351903 697156579 /nfs/dbraw/zinc/15/65/79/697156579.db2.gz PCUVQUICQQDVMJ-GASCZTMLSA-N 1 1 339.417 1.557 20 5 EDBDMO Cc1ncc(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC001031581929 697277278 /nfs/dbraw/zinc/27/72/78/697277278.db2.gz LYSGLUYZZLRAFQ-UHFFFAOYSA-N 1 1 329.360 1.488 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000139372155 697347538 /nfs/dbraw/zinc/34/75/38/697347538.db2.gz ZIEUROVTVYBWCM-UHFFFAOYSA-N 1 1 349.778 1.944 20 5 EDBDMO Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940107977 700220397 /nfs/dbraw/zinc/22/03/97/700220397.db2.gz UAJVNIZXYSASID-TZMCWYRMSA-N 1 1 336.392 1.427 20 5 EDBDMO CC1([NH2+]Cc2cccc(F)c2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940108152 700220845 /nfs/dbraw/zinc/22/08/45/700220845.db2.gz XITVHCJXQQZCQV-HUUCEWRRSA-N 1 1 335.379 1.962 20 5 EDBDMO Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC000997770864 704676412 /nfs/dbraw/zinc/67/64/12/704676412.db2.gz ZUUISYWVZQAUPO-ZIAGYGMSSA-N 1 1 338.433 1.445 20 5 EDBDMO O=C(NCc1ccc(CNCc2ccon2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001034816529 711198364 /nfs/dbraw/zinc/19/83/64/711198364.db2.gz QTKWWLZCZJOULP-HUUCEWRRSA-N 1 1 330.344 1.246 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000054129175 214218315 /nfs/dbraw/zinc/21/83/15/214218315.db2.gz HMUJSDLNHRTVCR-CYBMUJFWSA-N 1 1 339.367 1.821 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[N@@H+]1C[C@@H](C)O ZINC000174629332 529379734 /nfs/dbraw/zinc/37/97/34/529379734.db2.gz YPXIDDVRNIFVLD-ZYHUDNBSSA-N 1 1 341.433 1.882 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[N@H+]1C[C@@H](C)O ZINC000174629332 529379736 /nfs/dbraw/zinc/37/97/36/529379736.db2.gz YPXIDDVRNIFVLD-ZYHUDNBSSA-N 1 1 341.433 1.882 20 5 EDBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181078045 529904043 /nfs/dbraw/zinc/90/40/43/529904043.db2.gz WRKNNVFVFMPGTB-UHFFFAOYSA-N 1 1 349.435 1.275 20 5 EDBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181078045 529904044 /nfs/dbraw/zinc/90/40/44/529904044.db2.gz WRKNNVFVFMPGTB-UHFFFAOYSA-N 1 1 349.435 1.275 20 5 EDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000067398276 215140929 /nfs/dbraw/zinc/14/09/29/215140929.db2.gz BPFZDCTZXKKHHC-QWHCGFSZSA-N 1 1 348.403 1.770 20 5 EDBDMO COCC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478458 306299760 /nfs/dbraw/zinc/29/97/60/306299760.db2.gz HNJWCJDCYWGNJZ-HIFRSBDPSA-N 1 1 325.409 1.493 20 5 EDBDMO COCCN(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478458 306299761 /nfs/dbraw/zinc/29/97/61/306299761.db2.gz HNJWCJDCYWGNJZ-HIFRSBDPSA-N 1 1 325.409 1.493 20 5 EDBDMO COc1cc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)c([N+](=O)[O-])cc1OC ZINC000562979816 306314566 /nfs/dbraw/zinc/31/45/66/306314566.db2.gz QYBZEQREFBGSOG-JTQLQIEISA-N 1 1 345.302 1.291 20 5 EDBDMO CN(C)C(=O)CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000563350583 306328827 /nfs/dbraw/zinc/32/88/27/306328827.db2.gz PDGJCTFZWWQDSC-UHFFFAOYSA-N 1 1 348.403 1.221 20 5 EDBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090465041 138279099 /nfs/dbraw/zinc/27/90/99/138279099.db2.gz JKOXBOXJUHVYRM-ZBFHGGJFSA-N 1 1 349.387 1.343 20 5 EDBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090465041 138279100 /nfs/dbraw/zinc/27/91/00/138279100.db2.gz JKOXBOXJUHVYRM-ZBFHGGJFSA-N 1 1 349.387 1.343 20 5 EDBDMO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000125568079 138334957 /nfs/dbraw/zinc/33/49/57/138334957.db2.gz SDVYITMDOUQMPO-TZMCWYRMSA-N 1 1 346.387 1.524 20 5 EDBDMO O=C(C[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000125568324 138334967 /nfs/dbraw/zinc/33/49/67/138334967.db2.gz SDVYITMDOUQMPO-OCCSQVGLSA-N 1 1 346.387 1.524 20 5 EDBDMO [NH3+]CC(=O)N1CCC[C@@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000414695169 304128625 /nfs/dbraw/zinc/12/86/25/304128625.db2.gz OGROHNLDCGMFGJ-ZDUSSCGKSA-N 1 1 332.404 1.150 20 5 EDBDMO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CNCCO3)o2)c([N+](=O)[O-])c1 ZINC000415098594 304159565 /nfs/dbraw/zinc/15/95/65/304159565.db2.gz WEQIVIAPNFASOE-AWEZNQCLSA-N 1 1 347.371 1.941 20 5 EDBDMO C[C@@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)CS(C)(=O)=O ZINC000246423014 139107945 /nfs/dbraw/zinc/10/79/45/139107945.db2.gz CCSXXMDEEDBROY-NWDGAFQWSA-N 1 1 342.421 1.157 20 5 EDBDMO C[C@@H](C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)CS(C)(=O)=O ZINC000246423014 139107946 /nfs/dbraw/zinc/10/79/46/139107946.db2.gz CCSXXMDEEDBROY-NWDGAFQWSA-N 1 1 342.421 1.157 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000247449870 139148913 /nfs/dbraw/zinc/14/89/13/139148913.db2.gz QDLVSVUTAWZGEI-IINYFYTJSA-N 1 1 336.348 1.915 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000249124609 139186660 /nfs/dbraw/zinc/18/66/60/139186660.db2.gz CFZALFPQYMZZHX-BXUZGUMPSA-N 1 1 334.376 1.332 20 5 EDBDMO COc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000251949753 139203517 /nfs/dbraw/zinc/20/35/17/139203517.db2.gz UTZRGXMGVGULFJ-RYUDHWBXSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000251949753 139203518 /nfs/dbraw/zinc/20/35/18/139203518.db2.gz UTZRGXMGVGULFJ-RYUDHWBXSA-N 1 1 337.376 1.131 20 5 EDBDMO C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000261989095 139242150 /nfs/dbraw/zinc/24/21/50/139242150.db2.gz BGDDXEAFFNCIPQ-UWVGGRQHSA-N 1 1 331.369 1.400 20 5 EDBDMO COC(=O)COc1ccc(CN2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000262013697 139243949 /nfs/dbraw/zinc/24/39/49/139243949.db2.gz VIJXNYMRKLMEKL-UHFFFAOYSA-N 1 1 337.376 1.317 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416996060 251123826 /nfs/dbraw/zinc/12/38/26/251123826.db2.gz MGAMLLDTAHPNPL-QWHCGFSZSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416996060 251123829 /nfs/dbraw/zinc/12/38/29/251123829.db2.gz MGAMLLDTAHPNPL-QWHCGFSZSA-N 1 1 336.392 1.822 20 5 EDBDMO Cn1ccnc1[C@@H](NCC(F)(F)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423348178 252049694 /nfs/dbraw/zinc/04/96/94/252049694.db2.gz SBXGYNVVSPSLAP-LBPRGKRZSA-N 1 1 325.319 1.601 20 5 EDBDMO NC(=O)N1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153607205 224130130 /nfs/dbraw/zinc/13/01/30/224130130.db2.gz WLHJGSIRNXSYLD-UHFFFAOYSA-N 1 1 335.364 1.010 20 5 EDBDMO O=C(C[N@H+]1CC[C@]2(CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000153689860 224142546 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1 1 340.376 1.849 20 5 EDBDMO Cc1cc(C(=O)N2CCC([N@H+](C)C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000444359726 305246965 /nfs/dbraw/zinc/24/69/65/305246965.db2.gz WTXABAVXPCXDGZ-ZDUSSCGKSA-N 1 1 335.404 1.820 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447808422 305286080 /nfs/dbraw/zinc/28/60/80/305286080.db2.gz VAPFSRWDXVYMHT-UHFFFAOYSA-N 1 1 348.447 1.957 20 5 EDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448798432 305301937 /nfs/dbraw/zinc/30/19/37/305301937.db2.gz VOBQJZHLUSNQOX-LBPRGKRZSA-N 1 1 341.371 1.951 20 5 EDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(C)(C)CO ZINC000451247334 305335110 /nfs/dbraw/zinc/33/51/10/305335110.db2.gz BRQVWLCPUSKGHK-UHFFFAOYSA-N 1 1 337.376 1.843 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451293738 305336861 /nfs/dbraw/zinc/33/68/61/305336861.db2.gz BLFQURLQBUCQFI-MAZHCROVSA-N 1 1 336.388 1.965 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452368223 305393692 /nfs/dbraw/zinc/39/36/92/305393692.db2.gz QNTUCWZJZJSAMS-INIZCTEOSA-N 1 1 335.404 1.490 20 5 EDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000518001008 305757973 /nfs/dbraw/zinc/75/79/73/305757973.db2.gz JPNGGLGCAUJADF-CYBMUJFWSA-N 1 1 336.392 1.165 20 5 EDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000535824263 306017767 /nfs/dbraw/zinc/01/77/67/306017767.db2.gz VTCIIVZOABSGCO-QWRGUYRKSA-N 1 1 335.360 1.531 20 5 EDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000535824263 306017768 /nfs/dbraw/zinc/01/77/68/306017768.db2.gz VTCIIVZOABSGCO-QWRGUYRKSA-N 1 1 335.360 1.531 20 5 EDBDMO CCC[N@H+]1CC[C@@H](CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000536985110 306025574 /nfs/dbraw/zinc/02/55/74/306025574.db2.gz KEFGHWDKDFFDCY-NSHDSACASA-N 1 1 342.421 1.386 20 5 EDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C 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CC(C)[NH+]1CC(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000457735388 320334214 /nfs/dbraw/zinc/33/42/14/320334214.db2.gz NMBJIJABUVPBNA-UHFFFAOYSA-N 1 1 329.360 1.807 20 5 EDBDMO Cc1c(C[N@@H+]2C[C@@H](C)[C@H](C(=O)N3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000286326317 443691437 /nfs/dbraw/zinc/69/14/37/443691437.db2.gz WEPHHDYEIKTAOX-CZUORRHYSA-N 1 1 347.415 1.830 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000298622793 443820371 /nfs/dbraw/zinc/82/03/71/443820371.db2.gz ZINWLBAJAMLWKV-KGLIPLIRSA-N 1 1 346.387 1.585 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288444249 443883446 /nfs/dbraw/zinc/88/34/46/443883446.db2.gz NLEIBGRGYRFQJT-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288444249 443883448 /nfs/dbraw/zinc/88/34/48/443883448.db2.gz NLEIBGRGYRFQJT-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)S(C)(=O)=O ZINC000532808873 320677623 /nfs/dbraw/zinc/67/76/23/320677623.db2.gz LXPSLKGJBKLLBK-MRVPVSSYSA-N 1 1 338.332 1.719 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000281290469 443870981 /nfs/dbraw/zinc/87/09/81/443870981.db2.gz YCFORSRHKWQUIK-CQSZACIVSA-N 1 1 341.433 1.841 20 5 EDBDMO CCC[C@@]1(CO)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000288794903 443985125 /nfs/dbraw/zinc/98/51/25/443985125.db2.gz LMMSVSUVWVPSAI-DOTOQJQBSA-N 1 1 338.404 1.819 20 5 EDBDMO Cc1sc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281737976 443992850 /nfs/dbraw/zinc/99/28/50/443992850.db2.gz JTZPJRNUYXIUAM-UHFFFAOYSA-N 1 1 340.449 1.721 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000299395403 444036698 /nfs/dbraw/zinc/03/66/98/444036698.db2.gz ULJGMLRBQIHUKS-OCCSQVGLSA-N 1 1 348.403 1.687 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000289553616 444170354 /nfs/dbraw/zinc/17/03/54/444170354.db2.gz UONHKHRXVYAROR-SNVBAGLBSA-N 1 1 349.313 1.182 20 5 EDBDMO O=C(NC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000289553616 444170358 /nfs/dbraw/zinc/17/03/58/444170358.db2.gz UONHKHRXVYAROR-SNVBAGLBSA-N 1 1 349.313 1.182 20 5 EDBDMO C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289709497 444193603 /nfs/dbraw/zinc/19/36/03/444193603.db2.gz OVEHYXADYRXXJH-LRDDRELGSA-N 1 1 332.360 1.547 20 5 EDBDMO COC[C@H](C)[NH+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000301971401 444198478 /nfs/dbraw/zinc/19/84/78/444198478.db2.gz SGMTYWSMUNWYBD-NSHDSACASA-N 1 1 327.356 1.899 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC000304288506 444245635 /nfs/dbraw/zinc/24/56/35/444245635.db2.gz BLXNGBJTMUJFFS-HOCLYGCPSA-N 1 1 337.424 1.103 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC000304288506 444245638 /nfs/dbraw/zinc/24/56/38/444245638.db2.gz BLXNGBJTMUJFFS-HOCLYGCPSA-N 1 1 337.424 1.103 20 5 EDBDMO C[N@@H+](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000290749142 444319091 /nfs/dbraw/zinc/31/90/91/444319091.db2.gz ILKQFFYBDTUDPZ-UHFFFAOYSA-N 1 1 347.350 1.772 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000324534622 444356236 /nfs/dbraw/zinc/35/62/36/444356236.db2.gz MZCHBDFEQZZSDC-SNVBAGLBSA-N 1 1 343.380 1.687 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000297749427 444328519 /nfs/dbraw/zinc/32/85/19/444328519.db2.gz CXZXVALAJDZWIS-ZDUSSCGKSA-N 1 1 348.403 1.751 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000331134843 444410439 /nfs/dbraw/zinc/41/04/39/444410439.db2.gz CICZUHJQCSJNOJ-FZMZJTMJSA-N 1 1 327.406 1.669 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000331134843 444410441 /nfs/dbraw/zinc/41/04/41/444410441.db2.gz CICZUHJQCSJNOJ-FZMZJTMJSA-N 1 1 327.406 1.669 20 5 EDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000580326676 322038283 /nfs/dbraw/zinc/03/82/83/322038283.db2.gz XATYIZQVADJWFO-CYBMUJFWSA-N 1 1 341.433 1.920 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000547439250 322127170 /nfs/dbraw/zinc/12/71/70/322127170.db2.gz RCXXCUCIDHSNAS-LLVKDONJSA-N 1 1 328.394 1.000 20 5 EDBDMO CC1(C)CCC[N@H+]1CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000581648698 322202894 /nfs/dbraw/zinc/20/28/94/322202894.db2.gz VIEKCKWIBJQRBB-UHFFFAOYSA-N 1 1 328.394 1.143 20 5 EDBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332362962 444512394 /nfs/dbraw/zinc/51/23/94/444512394.db2.gz XAFKKYPXXNECIF-PBFPGSCMSA-N 1 1 347.415 1.965 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cccc1[N+](=O)[O-] ZINC000338373479 444660671 /nfs/dbraw/zinc/66/06/71/444660671.db2.gz YBZSGNAEWFEPFA-BETUJISGSA-N 1 1 335.360 1.331 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3COC[C@H](C2)O3)cccc1[N+](=O)[O-] ZINC000338373479 444660676 /nfs/dbraw/zinc/66/06/76/444660676.db2.gz YBZSGNAEWFEPFA-BETUJISGSA-N 1 1 335.360 1.331 20 5 EDBDMO CCC[N@H+]1CCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000343912641 444664174 /nfs/dbraw/zinc/66/41/74/444664174.db2.gz DNFMHPSTXRQSQG-LLVKDONJSA-N 1 1 342.421 1.529 20 5 EDBDMO C[NH+](C)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000336888246 444834587 /nfs/dbraw/zinc/83/45/87/444834587.db2.gz DYBCQBHMSFDDSS-GFCCVEGCSA-N 1 1 335.364 1.539 20 5 EDBDMO COC(=O)c1cc(NC(=O)[C@H]2CC[NH2+]CC2(F)F)cc([N+](=O)[O-])c1 ZINC000342747653 444846810 /nfs/dbraw/zinc/84/68/10/444846810.db2.gz HLCRRICMFFJRSR-LLVKDONJSA-N 1 1 343.286 1.565 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000344346254 444909737 /nfs/dbraw/zinc/90/97/37/444909737.db2.gz GOSZZSPKCONCFS-NSHDSACASA-N 1 1 335.360 1.548 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000344346254 444909742 /nfs/dbraw/zinc/90/97/42/444909742.db2.gz GOSZZSPKCONCFS-NSHDSACASA-N 1 1 335.360 1.548 20 5 EDBDMO COc1cc(C(=O)N(C)C[C@H]2C[C@H](OC)C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000344502949 445017759 /nfs/dbraw/zinc/01/77/59/445017759.db2.gz CJLQUOZWDRTINJ-OLZOCXBDSA-N 1 1 337.376 1.395 20 5 EDBDMO C[N@H+]1CCO[C@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000343281284 445176411 /nfs/dbraw/zinc/17/64/11/445176411.db2.gz NRRITHSUTGFROG-KGLIPLIRSA-N 1 1 345.359 1.554 20 5 EDBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000343526631 445238916 /nfs/dbraw/zinc/23/89/16/445238916.db2.gz PQNQQBLMYJVUBQ-LBPRGKRZSA-N 1 1 331.376 1.579 20 5 EDBDMO C[C@H]1[C@@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCC[N@H+]1C ZINC000343597233 445256832 /nfs/dbraw/zinc/25/68/32/445256832.db2.gz MSIMROXWKUUKPT-ZANVPECISA-N 1 1 328.394 1.137 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000354511428 445272239 /nfs/dbraw/zinc/27/22/39/445272239.db2.gz QXOGCUAXVVBIQE-LBPRGKRZSA-N 1 1 336.392 1.687 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]3C[N@@H+]3CCC[C@H]3CO)nn21 ZINC000362408124 445364652 /nfs/dbraw/zinc/36/46/52/445364652.db2.gz RHSDDAOTMFCHGI-STQMWFEESA-N 1 1 346.391 1.063 20 5 EDBDMO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000362481812 445405536 /nfs/dbraw/zinc/40/55/36/445405536.db2.gz YLPAAFWSCRTICH-FZMZJTMJSA-N 1 1 332.360 1.968 20 5 EDBDMO O=C1CNCCN1[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000362670390 445489967 /nfs/dbraw/zinc/48/99/67/445489967.db2.gz JZMHABWDQRRONA-UYZDIKGJSA-N 1 1 344.415 1.504 20 5 EDBDMO O=C1CNCCN1[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000362670390 445489971 /nfs/dbraw/zinc/48/99/71/445489971.db2.gz JZMHABWDQRRONA-UYZDIKGJSA-N 1 1 344.415 1.504 20 5 EDBDMO Cc1cc[nH+]c(N2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC2)c1 ZINC000357432642 445559021 /nfs/dbraw/zinc/55/90/21/445559021.db2.gz DYOJRNLHKWBIAH-UHFFFAOYSA-N 1 1 342.359 1.119 20 5 EDBDMO CC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000360219711 445636310 /nfs/dbraw/zinc/63/63/10/445636310.db2.gz LVGBRHSRKMDADA-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO CC[N@H+]1CC[C@H](NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000360219711 445636315 /nfs/dbraw/zinc/63/63/15/445636315.db2.gz LVGBRHSRKMDADA-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(n2cncn2)CC1 ZINC000356187844 445667753 /nfs/dbraw/zinc/66/77/53/445667753.db2.gz QBWRDTPUJPBHRT-UHFFFAOYSA-N 1 1 344.375 1.770 20 5 EDBDMO Cc1c(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360285337 445676130 /nfs/dbraw/zinc/67/61/30/445676130.db2.gz KEKGMEJHTDHEHF-TZMCWYRMSA-N 1 1 348.403 1.118 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360653044 445719489 /nfs/dbraw/zinc/71/94/89/445719489.db2.gz NTMLZHMLVSKLNV-RYUDHWBXSA-N 1 1 327.406 1.664 20 5 EDBDMO Cn1ccnc1[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000353673388 445701584 /nfs/dbraw/zinc/70/15/84/445701584.db2.gz PGGVPWCPPDAFCN-WBVHZDCISA-N 1 1 345.403 1.074 20 5 EDBDMO COc1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c([N+](=O)[O-])cc1O ZINC000363414617 445794591 /nfs/dbraw/zinc/79/45/91/445794591.db2.gz PMNUEGNZQREDMO-JLLWLGSASA-N 1 1 335.360 1.408 20 5 EDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000356861969 446078238 /nfs/dbraw/zinc/07/82/38/446078238.db2.gz VKPKJRAFXATGQA-RYUDHWBXSA-N 1 1 344.375 1.340 20 5 EDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000356861969 446078240 /nfs/dbraw/zinc/07/82/40/446078240.db2.gz VKPKJRAFXATGQA-RYUDHWBXSA-N 1 1 344.375 1.340 20 5 EDBDMO Cn1cc[nH+]c1N1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000365478184 446226025 /nfs/dbraw/zinc/22/60/25/446226025.db2.gz RUXQDDAKHVPTSJ-UHFFFAOYSA-N 1 1 343.387 1.656 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000366479468 446230968 /nfs/dbraw/zinc/23/09/68/446230968.db2.gz GTADOYMPAJCTEQ-QGZVFWFLSA-N 1 1 333.388 1.989 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000370435665 446278668 /nfs/dbraw/zinc/27/86/68/446278668.db2.gz BRPXQLPWCNQITQ-RISCZKNCSA-N 1 1 344.375 1.683 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000373672215 446296847 /nfs/dbraw/zinc/29/68/47/446296847.db2.gz HJKYLGVBBSCQKV-INIZCTEOSA-N 1 1 334.420 1.356 20 5 EDBDMO Cc1[nH+]c(CNc2ccc3ncc([N+](=O)[O-])n3n2)c2n1CCCC2 ZINC000374502286 446371265 /nfs/dbraw/zinc/37/12/65/446371265.db2.gz FSFURZPTLFDGRW-UHFFFAOYSA-N 1 1 327.348 2.091 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000374544039 446374651 /nfs/dbraw/zinc/37/46/51/446374651.db2.gz CPXHXDUCDWBRGX-MRXNPFEDSA-N 1 1 332.404 1.694 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000374881233 446433845 /nfs/dbraw/zinc/43/38/45/446433845.db2.gz NLFBDMNGTGMFAY-ZFWWWQNUSA-N 1 1 339.417 1.451 20 5 EDBDMO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000374866145 446424467 /nfs/dbraw/zinc/42/44/67/446424467.db2.gz UOUAZMUXMVABKS-WCXIOVBPSA-N 1 1 345.399 1.754 20 5 EDBDMO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000374866145 446424472 /nfs/dbraw/zinc/42/44/72/446424472.db2.gz UOUAZMUXMVABKS-WCXIOVBPSA-N 1 1 345.399 1.754 20 5 EDBDMO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000374866145 446424475 /nfs/dbraw/zinc/42/44/75/446424475.db2.gz UOUAZMUXMVABKS-WCXIOVBPSA-N 1 1 345.399 1.754 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375024596 446524324 /nfs/dbraw/zinc/52/43/24/446524324.db2.gz XAKNUXANSGKYOZ-CZUORRHYSA-N 1 1 332.404 1.949 20 5 EDBDMO COC(=O)c1cc(C)nc(NCc2c[nH+]c3n2CCCC3)c1[N+](=O)[O-] ZINC000367419246 446544782 /nfs/dbraw/zinc/54/47/82/446544782.db2.gz MXBUPGBOGZFIQE-UHFFFAOYSA-N 1 1 345.359 2.230 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000411655166 446636406 /nfs/dbraw/zinc/63/64/06/446636406.db2.gz IVQVSRXYBYPEOR-NEPJUHHUSA-N 1 1 337.376 1.635 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000453934502 446714706 /nfs/dbraw/zinc/71/47/06/446714706.db2.gz QENDOHYKQQKNQV-RISCZKNCSA-N 1 1 332.360 1.004 20 5 EDBDMO CN(C)C(=O)[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000411937778 446746910 /nfs/dbraw/zinc/74/69/10/446746910.db2.gz GYBYGMSJWLKBGM-SWLSCSKDSA-N 1 1 346.387 1.110 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411941545 446751834 /nfs/dbraw/zinc/75/18/34/446751834.db2.gz LQDUHZJRHMWLKG-QWHCGFSZSA-N 1 1 348.403 1.640 20 5 EDBDMO Cc1nnc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412034468 446795129 /nfs/dbraw/zinc/79/51/29/446795129.db2.gz DPXCNTMZXJKVLE-GFCCVEGCSA-N 1 1 344.375 1.839 20 5 EDBDMO 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O=[N+]([O-])c1ccc(OCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000573594108 448666756 /nfs/dbraw/zinc/66/67/56/448666756.db2.gz UHMFNHKPXDWJMP-BRWVUGGUSA-N 1 1 335.404 1.720 20 5 EDBDMO O=[N+]([O-])c1ccc(OCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000573594110 448666843 /nfs/dbraw/zinc/66/68/43/448666843.db2.gz UHMFNHKPXDWJMP-IXDOHACOSA-N 1 1 335.404 1.720 20 5 EDBDMO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)CN(C)C ZINC000519141450 448746059 /nfs/dbraw/zinc/74/60/59/448746059.db2.gz HIRXFBHXIOAWRO-HIFRSBDPSA-N 1 1 339.436 1.900 20 5 EDBDMO C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000519141450 448746063 /nfs/dbraw/zinc/74/60/63/448746063.db2.gz HIRXFBHXIOAWRO-HIFRSBDPSA-N 1 1 339.436 1.900 20 5 EDBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3ccc([N+](=O)[O-])cn3)n1)OC2 ZINC000579289211 448759240 /nfs/dbraw/zinc/75/92/40/448759240.db2.gz GDTKYFRHUNAKBY-SWLSCSKDSA-N 1 1 331.332 1.966 20 5 EDBDMO 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ZINC000589924438 449080674 /nfs/dbraw/zinc/08/06/74/449080674.db2.gz CAWNWXJBGSVBJO-TZMCWYRMSA-N 1 1 339.417 1.536 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+]2CCn3nncc3C2)c([N+](=O)[O-])c1 ZINC000569620121 449058435 /nfs/dbraw/zinc/05/84/35/449058435.db2.gz YKVKZPCFUVDAKE-UHFFFAOYSA-N 1 1 346.347 1.039 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CCn3nncc3C2)c([N+](=O)[O-])c1 ZINC000569620121 449058441 /nfs/dbraw/zinc/05/84/41/449058441.db2.gz YKVKZPCFUVDAKE-UHFFFAOYSA-N 1 1 346.347 1.039 20 5 EDBDMO O=C(CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595735609 449137337 /nfs/dbraw/zinc/13/73/37/449137337.db2.gz BLIOWPHBVPYCKW-DOMZBBRYSA-N 1 1 346.387 1.524 20 5 EDBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](Cc2ccccc2)C1 ZINC000593090411 449129637 /nfs/dbraw/zinc/12/96/37/449129637.db2.gz WXWGAINETQGRSG-MRXNPFEDSA-N 1 1 329.404 1.650 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccccc21 ZINC000593096428 449132460 /nfs/dbraw/zinc/13/24/60/449132460.db2.gz SIFKBYAMOGCWQH-CZUORRHYSA-N 1 1 330.388 1.814 20 5 EDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593583153 449089846 /nfs/dbraw/zinc/08/98/46/449089846.db2.gz ZLPZJXRJFDJNFM-RYUDHWBXSA-N 1 1 342.421 1.389 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590011733 449097214 /nfs/dbraw/zinc/09/72/14/449097214.db2.gz IJJOOMNJGQMVFL-CJNGLKHVSA-N 1 1 332.404 1.868 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590011733 449097219 /nfs/dbraw/zinc/09/72/19/449097219.db2.gz IJJOOMNJGQMVFL-CJNGLKHVSA-N 1 1 332.404 1.868 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590011733 449097223 /nfs/dbraw/zinc/09/72/23/449097223.db2.gz IJJOOMNJGQMVFL-CJNGLKHVSA-N 1 1 332.404 1.868 20 5 EDBDMO CC(C)(C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599938117 449116981 /nfs/dbraw/zinc/11/69/81/449116981.db2.gz MOMFHEFPAGGTHT-JKSUJKDBSA-N 1 1 347.415 1.540 20 5 EDBDMO C[C@@]12COC[C@]1(C)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595688579 449119730 /nfs/dbraw/zinc/11/97/30/449119730.db2.gz HTFVMZSJOMURIM-OIISXLGYSA-N 1 1 336.388 1.693 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000590441240 449162234 /nfs/dbraw/zinc/16/22/34/449162234.db2.gz CSSOQKQJFLHLGN-ABAIWWIYSA-N 1 1 347.371 1.548 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000611100459 449168473 /nfs/dbraw/zinc/16/84/73/449168473.db2.gz FVKLNTWDYWOKOB-NSHDSACASA-N 1 1 334.376 1.394 20 5 EDBDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000611100459 449168475 /nfs/dbraw/zinc/16/84/75/449168475.db2.gz FVKLNTWDYWOKOB-NSHDSACASA-N 1 1 334.376 1.394 20 5 EDBDMO Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000590399152 449146953 /nfs/dbraw/zinc/14/69/53/449146953.db2.gz CGYZGIHLOPCVNM-HOTGVXAUSA-N 1 1 333.388 1.838 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC(CO)(CO)C3)co2)cc1 ZINC000595808742 449179773 /nfs/dbraw/zinc/17/97/73/449179773.db2.gz VRIZTEMBXWPSPG-UHFFFAOYSA-N 1 1 333.344 1.427 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC(CO)(CO)C3)co2)cc1 ZINC000595808742 449179778 /nfs/dbraw/zinc/17/97/78/449179778.db2.gz VRIZTEMBXWPSPG-UHFFFAOYSA-N 1 1 333.344 1.427 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000593847213 449234474 /nfs/dbraw/zinc/23/44/74/449234474.db2.gz BMOZIRZHMGEHDZ-ZDUSSCGKSA-N 1 1 329.360 1.317 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000593847213 449234481 /nfs/dbraw/zinc/23/44/81/449234481.db2.gz BMOZIRZHMGEHDZ-ZDUSSCGKSA-N 1 1 329.360 1.317 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000600213226 449247053 /nfs/dbraw/zinc/24/70/53/449247053.db2.gz LBNNFGIFDTTZBU-CYBMUJFWSA-N 1 1 341.433 1.664 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593459982 449295532 /nfs/dbraw/zinc/29/55/32/449295532.db2.gz YLMKLHCRPCZBRE-CYBMUJFWSA-N 1 1 325.340 1.113 20 5 EDBDMO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593464248 449297297 /nfs/dbraw/zinc/29/72/97/449297297.db2.gz AEHUZNZHIZYZGH-AWEZNQCLSA-N 1 1 346.387 1.272 20 5 EDBDMO Nc1ccc(NCCC[N@H+]2CCc3ccccc3C2)nc1[N+](=O)[O-] ZINC000596073834 449349408 /nfs/dbraw/zinc/34/94/08/449349408.db2.gz BJODXPORIDBINL-UHFFFAOYSA-N 1 1 327.388 2.432 20 5 EDBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000602112493 449355122 /nfs/dbraw/zinc/35/51/22/449355122.db2.gz QTUQFFNHZNGGHS-IAGOWNOFSA-N 1 1 347.415 1.897 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)n1 ZINC000598510204 449434368 /nfs/dbraw/zinc/43/43/68/449434368.db2.gz OKUNPTNJFWOQHV-CYBMUJFWSA-N 1 1 329.360 1.333 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)n1 ZINC000598510204 449434376 /nfs/dbraw/zinc/43/43/76/449434376.db2.gz OKUNPTNJFWOQHV-CYBMUJFWSA-N 1 1 329.360 1.333 20 5 EDBDMO COC(=O)[C@@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000600539892 449431580 /nfs/dbraw/zinc/43/15/80/449431580.db2.gz CVYNUJFAHIUULE-BBRMVZONSA-N 1 1 335.360 1.193 20 5 EDBDMO COC(=O)[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000600539892 449431585 /nfs/dbraw/zinc/43/15/85/449431585.db2.gz CVYNUJFAHIUULE-BBRMVZONSA-N 1 1 335.360 1.193 20 5 EDBDMO O=[N+]([O-])c1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1C(F)(F)F ZINC000596296684 449462484 /nfs/dbraw/zinc/46/24/84/449462484.db2.gz YKNQSNRQYVPXCM-LLVKDONJSA-N 1 1 331.294 1.869 20 5 EDBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCCC[C@@H]23)ncnc1N1CCOCC1 ZINC000598590577 449480402 /nfs/dbraw/zinc/48/04/02/449480402.db2.gz PACICIUKIINXQN-STQMWFEESA-N 1 1 348.407 1.260 20 5 EDBDMO O=[N+]([O-])c1cnc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(Cl)c1 ZINC000596537859 449545322 /nfs/dbraw/zinc/54/53/22/449545322.db2.gz IQDKHFAQQFCYEF-GFCCVEGCSA-N 1 1 326.784 1.679 20 5 EDBDMO Cc1ccc(NCCC[NH2+]C[C@H](O)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000600724364 449519736 /nfs/dbraw/zinc/51/97/36/449519736.db2.gz NOORSVXLUZXTOW-HNNXBMFYSA-N 1 1 336.436 1.752 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](C(F)F)C2CCCCC2)c1 ZINC000598651064 449519944 /nfs/dbraw/zinc/51/99/44/449519944.db2.gz VYGDASBWDDDSAX-QWHCGFSZSA-N 1 1 332.351 1.956 20 5 EDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596477799 449521625 /nfs/dbraw/zinc/52/16/25/449521625.db2.gz KCMSRFJHXLGZAR-NSHDSACASA-N 1 1 333.392 1.908 20 5 EDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](n3cncn3)C1)OCCO2 ZINC000614453148 449619051 /nfs/dbraw/zinc/61/90/51/449619051.db2.gz YTWXHYYPEBDHCB-GFCCVEGCSA-N 1 1 331.332 1.405 20 5 EDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](n3cncn3)C1)OCCO2 ZINC000614453148 449619057 /nfs/dbraw/zinc/61/90/57/449619057.db2.gz YTWXHYYPEBDHCB-GFCCVEGCSA-N 1 1 331.332 1.405 20 5 EDBDMO CN1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000602530154 449652685 /nfs/dbraw/zinc/65/26/85/449652685.db2.gz WWVUNMHTVTUZQX-ZCFIWIBFSA-N 1 1 334.195 1.739 20 5 EDBDMO C[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000594749364 449665498 /nfs/dbraw/zinc/66/54/98/449665498.db2.gz SNVCILCEGVZFLW-NEPJUHHUSA-N 1 1 342.421 1.389 20 5 EDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594770450 449683499 /nfs/dbraw/zinc/68/34/99/449683499.db2.gz HHYGBXYJNPHKHH-NWDGAFQWSA-N 1 1 342.421 1.389 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000594790162 449699656 /nfs/dbraw/zinc/69/96/56/449699656.db2.gz SQSRHBQNHPPWJE-AWEZNQCLSA-N 1 1 341.433 1.887 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2csc(NCC[N@@H+]3CC[C@H](O)C3)n2)cc1 ZINC000599198906 449793018 /nfs/dbraw/zinc/79/30/18/449793018.db2.gz ALJSMSRFHSFKFH-ZDUSSCGKSA-N 1 1 334.401 2.197 20 5 EDBDMO CCN(C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+](C)C1 ZINC000597300448 449929734 /nfs/dbraw/zinc/92/97/34/449929734.db2.gz JFZNIGGUPYGQSK-CQSZACIVSA-N 1 1 348.403 1.072 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000601439358 449960921 /nfs/dbraw/zinc/96/09/21/449960921.db2.gz FDMZXVGMFMLARR-LLVKDONJSA-N 1 1 328.394 1.095 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000601446974 449970054 /nfs/dbraw/zinc/97/00/54/449970054.db2.gz DVTIIAFZEADTSA-OAHLLOKOSA-N 1 1 339.417 1.618 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000609257770 449984404 /nfs/dbraw/zinc/98/44/04/449984404.db2.gz DQTRZZDRZJWLCE-HZPDHXFCSA-N 1 1 346.387 1.868 20 5 EDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609383037 450020591 /nfs/dbraw/zinc/02/05/91/450020591.db2.gz IKPWQSUDAHJCFV-LLVKDONJSA-N 1 1 333.344 1.538 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000595353618 450068268 /nfs/dbraw/zinc/06/82/68/450068268.db2.gz IRIPHKVOSIFYII-GFCCVEGCSA-N 1 1 327.406 1.666 20 5 EDBDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599531201 450044509 /nfs/dbraw/zinc/04/45/09/450044509.db2.gz MOGLDLJHCJYLST-LBPRGKRZSA-N 1 1 330.348 1.208 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCCO)C1CC1 ZINC000609846130 450104209 /nfs/dbraw/zinc/10/42/09/450104209.db2.gz DDFIQSNBOCEONM-UHFFFAOYSA-N 1 1 337.376 1.779 20 5 EDBDMO Cc1noc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000595400326 450114097 /nfs/dbraw/zinc/11/40/97/450114097.db2.gz LDOTXSVVMXXZFX-LBPRGKRZSA-N 1 1 325.365 1.909 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599681361 450148654 /nfs/dbraw/zinc/14/86/54/450148654.db2.gz OJQAFMYICPLCPI-FABXCBLPSA-N 1 1 349.387 1.777 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610177405 450149677 /nfs/dbraw/zinc/14/96/77/450149677.db2.gz KEXLRLVJSMZEKY-FZMZJTMJSA-N 1 1 349.387 1.778 20 5 EDBDMO CC(=O)NC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599704786 450166401 /nfs/dbraw/zinc/16/64/01/450166401.db2.gz TVUNZPHAENLHLU-MRXNPFEDSA-N 1 1 348.403 1.914 20 5 EDBDMO O=C(NCC[NH+]1CCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599719829 450177679 /nfs/dbraw/zinc/17/76/79/450177679.db2.gz YOONERWSIABIPO-UHFFFAOYSA-N 1 1 333.323 1.355 20 5 EDBDMO C[NH+]1CCN(CC2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)CC1 ZINC000597694000 450201299 /nfs/dbraw/zinc/20/12/99/450201299.db2.gz HXXQIOKBEBDZDE-UHFFFAOYSA-N 1 1 336.367 1.053 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000610771363 450330551 /nfs/dbraw/zinc/33/05/51/450330551.db2.gz NFEIRFSMMLKLSA-AWEZNQCLSA-N 1 1 334.376 1.317 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000618903225 450332764 /nfs/dbraw/zinc/33/27/64/450332764.db2.gz DEDIEJIUWNMGMQ-GFCCVEGCSA-N 1 1 344.375 1.467 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000603422968 450295071 /nfs/dbraw/zinc/29/50/71/450295071.db2.gz KWZSXHPUTBCVKO-INIZCTEOSA-N 1 1 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C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@@H+]1C ZINC000826542979 594521570 /nfs/dbraw/zinc/52/15/70/594521570.db2.gz GMUKLKMJBHCCDY-LLVKDONJSA-N 1 1 329.360 1.761 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@H+]1C ZINC000826542979 594521571 /nfs/dbraw/zinc/52/15/71/594521571.db2.gz GMUKLKMJBHCCDY-LLVKDONJSA-N 1 1 329.360 1.761 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827367360 594665380 /nfs/dbraw/zinc/66/53/80/594665380.db2.gz UTHLPYUBHAACOI-DOMZBBRYSA-N 1 1 332.404 1.827 20 5 EDBDMO CCc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000827492494 594677122 /nfs/dbraw/zinc/67/71/22/594677122.db2.gz XZGAJSWXLJJLQF-LBPRGKRZSA-N 1 1 341.433 1.920 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000867148186 594892874 /nfs/dbraw/zinc/89/28/74/594892874.db2.gz OLXGYQQJEDIFMC-LLVKDONJSA-N 1 1 345.396 1.805 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C)c(C)cc1[N+](=O)[O-] 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VIBBAPGCLATCOJ-MNOVXSKESA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H](C)C[N@H+]1CCO ZINC000854955414 595543518 /nfs/dbraw/zinc/54/35/18/595543518.db2.gz VIBBAPGCLATCOJ-MNOVXSKESA-N 1 1 325.340 1.261 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853558204 595802819 /nfs/dbraw/zinc/80/28/19/595802819.db2.gz PAHTVROTAIMFGH-FZMZJTMJSA-N 1 1 344.375 1.206 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853558204 595802822 /nfs/dbraw/zinc/80/28/22/595802822.db2.gz PAHTVROTAIMFGH-FZMZJTMJSA-N 1 1 344.375 1.206 20 5 EDBDMO COc1ccc(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000861339562 595947360 /nfs/dbraw/zinc/94/73/60/595947360.db2.gz VUJPSSSBWFMJGH-BLLLJJGKSA-N 1 1 338.360 1.869 20 5 EDBDMO CCOC(=O)C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000859055924 595964308 /nfs/dbraw/zinc/96/43/08/595964308.db2.gz QIVHIZQEUGJBEQ-HNNXBMFYSA-N 1 1 337.376 1.031 20 5 EDBDMO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC12COC2 ZINC000852096557 596042160 /nfs/dbraw/zinc/04/21/60/596042160.db2.gz LVBLEUJCPCOABT-CYBMUJFWSA-N 1 1 338.335 1.745 20 5 EDBDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC12COC2 ZINC000852096557 596042164 /nfs/dbraw/zinc/04/21/64/596042164.db2.gz LVBLEUJCPCOABT-CYBMUJFWSA-N 1 1 338.335 1.745 20 5 EDBDMO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852680249 596226272 /nfs/dbraw/zinc/22/62/72/596226272.db2.gz PXBHHUVVCAMMEP-GFCCVEGCSA-N 1 1 348.359 1.947 20 5 EDBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852680249 596226276 /nfs/dbraw/zinc/22/62/76/596226276.db2.gz PXBHHUVVCAMMEP-GFCCVEGCSA-N 1 1 348.359 1.947 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000120044473 596238966 /nfs/dbraw/zinc/23/89/66/596238966.db2.gz DHPNPIAAVPRFIO-ZYHUDNBSSA-N 1 1 345.446 1.761 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000867811437 596563490 /nfs/dbraw/zinc/56/34/90/596563490.db2.gz PQFHGRUKXQRORP-WDEREUQCSA-N 1 1 345.446 1.679 20 5 EDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000869779641 596631237 /nfs/dbraw/zinc/63/12/37/596631237.db2.gz BTKUQYMQZZCXKH-NSHDSACASA-N 1 1 325.340 1.309 20 5 EDBDMO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872048792 596799321 /nfs/dbraw/zinc/79/93/21/596799321.db2.gz MMJZKWLVFUFGCL-JTQLQIEISA-N 1 1 334.369 1.446 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866208500 596827904 /nfs/dbraw/zinc/82/79/04/596827904.db2.gz MRDFJYBWVHIRBS-NXEZZACHSA-N 1 1 345.446 1.590 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866208500 596827906 /nfs/dbraw/zinc/82/79/06/596827906.db2.gz MRDFJYBWVHIRBS-NXEZZACHSA-N 1 1 345.446 1.590 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 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C[N@H+]1CC[C@@H]2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879567032 597634458 /nfs/dbraw/zinc/63/44/58/597634458.db2.gz LIDOFMYRPSHGNY-KMFMINBZSA-N 1 1 335.404 1.361 20 5 EDBDMO CN(C(=O)CN1CC[C@H]2[C@H](CC[N@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000879574542 597638163 /nfs/dbraw/zinc/63/81/63/597638163.db2.gz BEYQTNSSZBCFCJ-CJNGLKHVSA-N 1 1 332.404 1.584 20 5 EDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000878779383 597708484 /nfs/dbraw/zinc/70/84/84/597708484.db2.gz AMZWVICZMDMSIU-GFCCVEGCSA-N 1 1 349.387 1.828 20 5 EDBDMO CNC(=O)NC[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000879335649 597890858 /nfs/dbraw/zinc/89/08/58/597890858.db2.gz UVYLMEGWJHNOBP-AWEZNQCLSA-N 1 1 336.392 1.757 20 5 EDBDMO COC(=O)C(C)(C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000880382728 597918882 /nfs/dbraw/zinc/91/88/82/597918882.db2.gz KIUZVHWMOXJSMO-UHFFFAOYSA-N 1 1 326.397 1.949 20 5 EDBDMO CO[C@@H]1COCC[C@@H]1[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C 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SDBDYOQGGZZUSK-UHFFFAOYSA-N 1 1 343.387 1.673 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccccc2F)CC1 ZINC000997770439 704669957 /nfs/dbraw/zinc/66/99/57/704669957.db2.gz WNHOKNXIELYFHT-GDBMZVCRSA-N 1 1 335.379 1.819 20 5 EDBDMO Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC000997769044 704672339 /nfs/dbraw/zinc/67/23/39/704672339.db2.gz MQBMYHVLBBIGAG-IAGOWNOFSA-N 1 1 346.431 1.692 20 5 EDBDMO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1cocn1 ZINC001002442986 708962274 /nfs/dbraw/zinc/96/22/74/708962274.db2.gz CDENSGFGBYSFTF-UHFFFAOYSA-N 1 1 330.344 1.977 20 5 EDBDMO CCOc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001002783328 709389521 /nfs/dbraw/zinc/38/95/21/709389521.db2.gz QTFPQBPSRPPGQB-HUUCEWRRSA-N 1 1 348.403 1.226 20 5 EDBDMO CC(C)n1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001034644658 710320841 /nfs/dbraw/zinc/32/08/41/710320841.db2.gz KHJYOUCSVCBPRS-RRCSTGOVSA-N 1 1 349.435 1.646 20 5 EDBDMO 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YKJZRNOSYXFJCW-NEPJUHHUSA-N 1 1 334.376 1.380 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c([N+](=O)[O-])c1 ZINC000111318299 220138850 /nfs/dbraw/zinc/13/88/50/220138850.db2.gz PBSAXPDTGMICBA-FUNVUKJBSA-N 1 1 349.387 1.920 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000246663527 139116924 /nfs/dbraw/zinc/11/69/24/139116924.db2.gz LTRGFXOPGJLJPC-KBPBESRZSA-N 1 1 333.388 1.916 20 5 EDBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC[N@H+]1C[C@H](C)O ZINC000246802078 139122192 /nfs/dbraw/zinc/12/21/92/139122192.db2.gz KDIBOIULCAOUQD-KBPBESRZSA-N 1 1 335.404 1.820 20 5 EDBDMO COCC[N@@H+](CCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093005527 218185116 /nfs/dbraw/zinc/18/51/16/218185116.db2.gz ZZZXSRLOMSOQSF-UHFFFAOYSA-N 1 1 334.376 1.436 20 5 EDBDMO CC(C)C[C@@H](CO)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249431737 139193320 /nfs/dbraw/zinc/19/33/20/139193320.db2.gz JWEOIZMQAVHFCU-LSDHHAIUSA-N 1 1 326.393 1.673 20 5 EDBDMO 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QMUXWXFTYXCMGL-SNVBAGLBSA-N 1 1 331.319 1.699 20 5 EDBDMO Cn1ccnc1[C@@H](NCC(F)(F)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423337064 304893190 /nfs/dbraw/zinc/89/31/90/304893190.db2.gz HEGDUNNXCMKJQO-LBPRGKRZSA-N 1 1 325.319 1.601 20 5 EDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429001053 305022273 /nfs/dbraw/zinc/02/22/73/305022273.db2.gz WMVDSRZTBCQRDY-XJKCOSOUSA-N 1 1 346.431 1.856 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000430242130 305048484 /nfs/dbraw/zinc/04/84/84/305048484.db2.gz IDCHHUGVRQJQEP-ZDUSSCGKSA-N 1 1 337.420 1.880 20 5 EDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449695389 305317271 /nfs/dbraw/zinc/31/72/71/305317271.db2.gz IAHJUTXKFYMPQH-NWDGAFQWSA-N 1 1 343.387 1.933 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCN2CCOCC2)Cc2ccco2)n1 ZINC000452053223 305380702 /nfs/dbraw/zinc/38/07/02/305380702.db2.gz XKZPHUGDCCINTF-UHFFFAOYSA-N 1 1 349.391 1.219 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@@H+](CCN2CCOCC2)Cc2ccco2)n1 ZINC000452053223 305380703 /nfs/dbraw/zinc/38/07/03/305380703.db2.gz XKZPHUGDCCINTF-UHFFFAOYSA-N 1 1 349.391 1.219 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452064313 305381498 /nfs/dbraw/zinc/38/14/98/305381498.db2.gz FEKFKHJOFDSATB-AAEUAGOBSA-N 1 1 337.376 1.635 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000452115135 305383635 /nfs/dbraw/zinc/38/36/35/305383635.db2.gz LCXUFSPNYLQHRM-MRXNPFEDSA-N 1 1 346.431 1.898 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccc([N+](=O)[O-])cc1F ZINC000452350862 305391695 /nfs/dbraw/zinc/39/16/95/305391695.db2.gz OWZJBEMMLIXGDB-GFCCVEGCSA-N 1 1 325.340 1.311 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452365122 305393119 /nfs/dbraw/zinc/39/31/19/305393119.db2.gz NIYNKXVSLSEHHY-AWEZNQCLSA-N 1 1 339.367 1.239 20 5 EDBDMO COC(=O)COc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414934934 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336.377 1.265 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000080439390 441170569 /nfs/dbraw/zinc/17/05/69/441170569.db2.gz XJHRDAFJWUWECS-LBPRGKRZSA-N 1 1 339.392 1.997 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000104748477 441203610 /nfs/dbraw/zinc/20/36/10/441203610.db2.gz NSXVRKUHZKBCQJ-LLVKDONJSA-N 1 1 343.405 1.176 20 5 EDBDMO O=C(NCCC[NH+]1CCOCC1)NCCc1ccccc1[N+](=O)[O-] ZINC000073425631 441315571 /nfs/dbraw/zinc/31/55/71/441315571.db2.gz RAUYAUZCGIFKOO-UHFFFAOYSA-N 1 1 336.392 1.159 20 5 EDBDMO CC(=O)N1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000026339911 441374995 /nfs/dbraw/zinc/37/49/95/441374995.db2.gz RNROOWLGXCRVSE-UHFFFAOYSA-N 1 1 334.376 1.478 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000028014143 441422876 /nfs/dbraw/zinc/42/28/76/441422876.db2.gz FUBGQZJEWQNZCC-OAHLLOKOSA-N 1 1 335.404 1.610 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000052222202 441441289 /nfs/dbraw/zinc/44/12/89/441441289.db2.gz ANLQGAKQWHFFPU-LLVKDONJSA-N 1 1 345.359 1.034 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000052271498 441443515 /nfs/dbraw/zinc/44/35/15/441443515.db2.gz NFKRHKKRAHLVOT-UHFFFAOYSA-N 1 1 332.364 1.511 20 5 EDBDMO O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000052753540 441474064 /nfs/dbraw/zinc/47/40/64/441474064.db2.gz PQPJLFORDODEIN-ZDUSSCGKSA-N 1 1 345.399 1.985 20 5 EDBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000113271708 441596868 /nfs/dbraw/zinc/59/68/68/441596868.db2.gz RYYUQTPEMRGFQY-BMFZPTHFSA-N 1 1 335.404 1.503 20 5 EDBDMO COC(=O)[C@H](C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000114062890 441632213 /nfs/dbraw/zinc/63/22/13/441632213.db2.gz YYIWKZUKNFKYGM-GFCCVEGCSA-N 1 1 337.376 1.973 20 5 EDBDMO Cc1c(C(=O)NCCCCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000041362207 441647212 /nfs/dbraw/zinc/64/72/12/441647212.db2.gz SOQHURYKCAEANE-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO CCN1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000041443327 441654588 /nfs/dbraw/zinc/65/45/88/441654588.db2.gz GZZCEAWEUSKMPD-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO CC(C)[NH+]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000041824667 441676563 /nfs/dbraw/zinc/67/65/63/441676563.db2.gz NPDRKLVNTVXIFE-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000115438909 441741353 /nfs/dbraw/zinc/74/13/53/441741353.db2.gz CWVRSIQHDUJHSH-NSHDSACASA-N 1 1 331.376 1.885 20 5 EDBDMO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000115438909 441741361 /nfs/dbraw/zinc/74/13/61/441741361.db2.gz CWVRSIQHDUJHSH-NSHDSACASA-N 1 1 331.376 1.885 20 5 EDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000115438909 441741370 /nfs/dbraw/zinc/74/13/70/441741370.db2.gz CWVRSIQHDUJHSH-NSHDSACASA-N 1 1 331.376 1.885 20 5 EDBDMO Cn1cc[nH+]c1CC1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000121937462 441816004 /nfs/dbraw/zinc/81/60/04/441816004.db2.gz XFHZELAKHOEXCM-UHFFFAOYSA-N 1 1 346.391 1.396 20 5 EDBDMO CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(=O)NC ZINC000173556379 441789669 /nfs/dbraw/zinc/78/96/69/441789669.db2.gz VWWZRQMBGKYQSK-UHFFFAOYSA-N 1 1 325.365 1.440 20 5 EDBDMO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000138698087 441796857 /nfs/dbraw/zinc/79/68/57/441796857.db2.gz PIXQPDWIMMSMSN-IUODEOHRSA-N 1 1 347.371 1.874 20 5 EDBDMO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000138698087 441796864 /nfs/dbraw/zinc/79/68/64/441796864.db2.gz PIXQPDWIMMSMSN-IUODEOHRSA-N 1 1 347.371 1.874 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000141417704 441850562 /nfs/dbraw/zinc/85/05/62/441850562.db2.gz QHSWTYJIWYIBKB-LBPRGKRZSA-N 1 1 337.351 1.809 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000160687820 441909403 /nfs/dbraw/zinc/90/94/03/441909403.db2.gz ABDZFFNWMJBURN-UHFFFAOYSA-N 1 1 343.387 1.676 20 5 EDBDMO CNC(=O)c1ccc(NC[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000077995485 441894242 /nfs/dbraw/zinc/89/42/42/441894242.db2.gz FWDFDZDNMAKGTK-LBPRGKRZSA-N 1 1 336.392 1.335 20 5 EDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000078562519 441944048 /nfs/dbraw/zinc/94/40/48/441944048.db2.gz YKHSARCKDDYNCC-GFCCVEGCSA-N 1 1 345.403 1.999 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000078583630 441947369 /nfs/dbraw/zinc/94/73/69/441947369.db2.gz HWVKZLGQDHGGCC-NSHDSACASA-N 1 1 342.421 1.020 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000174743685 441963183 /nfs/dbraw/zinc/96/31/83/441963183.db2.gz UWKAKYZXQYLMBH-KRWDZBQOSA-N 1 1 345.403 1.365 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000069527666 441965477 /nfs/dbraw/zinc/96/54/77/441965477.db2.gz QGDKKMPFFSTGDE-CQSZACIVSA-N 1 1 337.376 1.201 20 5 EDBDMO CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+](C)C1 ZINC000151114249 442008264 /nfs/dbraw/zinc/00/82/64/442008264.db2.gz XMLJTFVAFDCUSV-LBPRGKRZSA-N 1 1 344.371 1.603 20 5 EDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCCCO1 ZINC000126067314 442073865 /nfs/dbraw/zinc/07/38/65/442073865.db2.gz RGKSVVJDNXVRPB-OAHLLOKOSA-N 1 1 333.388 1.985 20 5 EDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCCCO1 ZINC000126067314 442073870 /nfs/dbraw/zinc/07/38/70/442073870.db2.gz RGKSVVJDNXVRPB-OAHLLOKOSA-N 1 1 333.388 1.985 20 5 EDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1 ZINC000120859534 442143307 /nfs/dbraw/zinc/14/33/07/442143307.db2.gz KOJVPRPWYBHUJB-HNNXBMFYSA-N 1 1 339.417 1.293 20 5 EDBDMO COc1cc2c(cc1OC)C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000176191136 442187713 /nfs/dbraw/zinc/18/77/13/442187713.db2.gz NMZBTTSJJWNFDZ-UHFFFAOYSA-N 1 1 332.360 1.867 20 5 EDBDMO COc1cc2c(cc1OC)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000176191136 442187716 /nfs/dbraw/zinc/18/77/16/442187716.db2.gz NMZBTTSJJWNFDZ-UHFFFAOYSA-N 1 1 332.360 1.867 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000152459512 442215967 /nfs/dbraw/zinc/21/59/67/442215967.db2.gz CMVHIEUTYACTSL-CYBMUJFWSA-N 1 1 349.435 1.965 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000152469370 442216999 /nfs/dbraw/zinc/21/69/99/442216999.db2.gz FLMPCCFHBICWCI-UHFFFAOYSA-N 1 1 325.365 1.302 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000128024218 442240572 /nfs/dbraw/zinc/24/05/72/442240572.db2.gz NSLNNJONTIOPGR-LLVKDONJSA-N 1 1 342.421 1.020 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000176845886 442262985 /nfs/dbraw/zinc/26/29/85/442262985.db2.gz CCDMMSQUAMRWPO-RYUDHWBXSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000176845886 442262987 /nfs/dbraw/zinc/26/29/87/442262987.db2.gz CCDMMSQUAMRWPO-RYUDHWBXSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1nn(C)c(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000128561422 442274939 /nfs/dbraw/zinc/27/49/39/442274939.db2.gz UQGJWRJPAXACPK-TUAOUCFPSA-N 1 1 337.424 1.733 20 5 EDBDMO CNC(=O)[C@H](C)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128817342 442289745 /nfs/dbraw/zinc/28/97/45/442289745.db2.gz XMSVASOXGMORRJ-SNVBAGLBSA-N 1 1 340.355 1.376 20 5 EDBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])s1 ZINC000129238263 442307530 /nfs/dbraw/zinc/30/75/30/442307530.db2.gz UGZVKSNBPYTGAI-MNOVXSKESA-N 1 1 325.390 1.639 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])s1 ZINC000129238263 442307533 /nfs/dbraw/zinc/30/75/33/442307533.db2.gz UGZVKSNBPYTGAI-MNOVXSKESA-N 1 1 325.390 1.639 20 5 EDBDMO COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179124106 442576936 /nfs/dbraw/zinc/57/69/36/442576936.db2.gz LFHUPHMQQNELJI-GFCCVEGCSA-N 1 1 335.360 1.869 20 5 EDBDMO COC(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179124106 442576939 /nfs/dbraw/zinc/57/69/39/442576939.db2.gz LFHUPHMQQNELJI-GFCCVEGCSA-N 1 1 335.360 1.869 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000180380585 442590619 /nfs/dbraw/zinc/59/06/19/442590619.db2.gz BUNISRJOGNFSSO-LBPRGKRZSA-N 1 1 335.360 1.304 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000180380585 442590621 /nfs/dbraw/zinc/59/06/21/442590621.db2.gz BUNISRJOGNFSSO-LBPRGKRZSA-N 1 1 335.360 1.304 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000192506391 442655249 /nfs/dbraw/zinc/65/52/49/442655249.db2.gz PPMFIEJACZYLAQ-GFCCVEGCSA-N 1 1 337.424 1.809 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000186812780 442616219 /nfs/dbraw/zinc/61/62/19/442616219.db2.gz LVXNUPUWLIMFNT-HNNXBMFYSA-N 1 1 342.355 1.824 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000186812780 442616222 /nfs/dbraw/zinc/61/62/22/442616222.db2.gz LVXNUPUWLIMFNT-HNNXBMFYSA-N 1 1 342.355 1.824 20 5 EDBDMO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000181291065 442688859 /nfs/dbraw/zinc/68/88/59/442688859.db2.gz OVLHYEKWUIEUCZ-PWSUYJOCSA-N 1 1 338.282 1.190 20 5 EDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000181291065 442688862 /nfs/dbraw/zinc/68/88/62/442688862.db2.gz OVLHYEKWUIEUCZ-PWSUYJOCSA-N 1 1 338.282 1.190 20 5 EDBDMO Cc1ccc(C[N@H+](CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000181971089 442723868 /nfs/dbraw/zinc/72/38/68/442723868.db2.gz YMMBFBKJWNHVFK-UHFFFAOYSA-N 1 1 343.383 1.997 20 5 EDBDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000181971089 442723870 /nfs/dbraw/zinc/72/38/70/442723870.db2.gz YMMBFBKJWNHVFK-UHFFFAOYSA-N 1 1 343.383 1.997 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000194020139 442830050 /nfs/dbraw/zinc/83/00/50/442830050.db2.gz SVLRZFUTVUHADR-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000194020139 442830053 /nfs/dbraw/zinc/83/00/53/442830053.db2.gz SVLRZFUTVUHADR-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000268160522 442877668 /nfs/dbraw/zinc/87/76/68/442877668.db2.gz XAQXBTDLQKBDNE-SWLSCSKDSA-N 1 1 347.419 1.789 20 5 EDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000189443493 442954980 /nfs/dbraw/zinc/95/49/80/442954980.db2.gz DSVCCXFFZPQJGU-ZDUSSCGKSA-N 1 1 349.435 1.379 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000265939137 442976258 /nfs/dbraw/zinc/97/62/58/442976258.db2.gz FPXCGLNGZNRJHV-LLVKDONJSA-N 1 1 342.421 1.020 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000251436248 443014051 /nfs/dbraw/zinc/01/40/51/443014051.db2.gz BWHANFVERPHMOP-NCRJZKAISA-N 1 1 333.388 1.522 20 5 EDBDMO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000189891246 443024950 /nfs/dbraw/zinc/02/49/50/443024950.db2.gz NIPKNIAMNSBJEC-AWEZNQCLSA-N 1 1 337.420 1.751 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000266185615 443049598 /nfs/dbraw/zinc/04/95/98/443049598.db2.gz CVDJQLOEBRZBHT-NWDGAFQWSA-N 1 1 347.371 1.868 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000266185615 443049600 /nfs/dbraw/zinc/04/96/00/443049600.db2.gz CVDJQLOEBRZBHT-NWDGAFQWSA-N 1 1 347.371 1.868 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000189958334 443038275 /nfs/dbraw/zinc/03/82/75/443038275.db2.gz JMRQIQZOJXKBIQ-CYBMUJFWSA-N 1 1 341.433 1.832 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000253356042 443050176 /nfs/dbraw/zinc/05/01/76/443050176.db2.gz XOUAWQPFAKDDMV-CABCVRRESA-N 1 1 337.420 1.751 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000184581317 443044090 /nfs/dbraw/zinc/04/40/90/443044090.db2.gz DHKRGEYVHAWATA-GFCCVEGCSA-N 1 1 336.396 1.137 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266214411 443060701 /nfs/dbraw/zinc/06/07/01/443060701.db2.gz KNMHGNJHHFWRRK-GFCCVEGCSA-N 1 1 337.351 1.528 20 5 EDBDMO CCN1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000190216553 443072953 /nfs/dbraw/zinc/07/29/53/443072953.db2.gz BGZBIAKYOZARFM-UHFFFAOYSA-N 1 1 348.403 1.786 20 5 EDBDMO CC(C)C[C@@H](CO)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000185335330 443184430 /nfs/dbraw/zinc/18/44/30/443184430.db2.gz IEXKSAKCDXQOEU-HNNXBMFYSA-N 1 1 335.404 1.823 20 5 EDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000266519076 443154259 /nfs/dbraw/zinc/15/42/59/443154259.db2.gz IBDVSMZCMMSIQU-NEPJUHHUSA-N 1 1 342.421 1.161 20 5 EDBDMO COCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000266534601 443159929 /nfs/dbraw/zinc/15/99/29/443159929.db2.gz NQNVLBIENIMOMZ-YOEHRIQHSA-N 1 1 348.403 1.862 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190884780 443203784 /nfs/dbraw/zinc/20/37/84/443203784.db2.gz HVHVGOGCFFPPBV-NEPJUHHUSA-N 1 1 337.376 1.492 20 5 EDBDMO C[C@@H]1C[NH+](C[C@@H](O)COc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000339320519 318982721 /nfs/dbraw/zinc/98/27/21/318982721.db2.gz GRYFGNMMQDZCIZ-NQBHXWOUSA-N 1 1 328.340 1.583 20 5 EDBDMO C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000269159799 443217248 /nfs/dbraw/zinc/21/72/48/443217248.db2.gz UBVCIUKDOFFWKZ-CYBMUJFWSA-N 1 1 331.376 1.428 20 5 EDBDMO Cc1cc(NCC2([NH+]3CCOCC3)CCOCC2)ncc1[N+](=O)[O-] ZINC000413405411 319267694 /nfs/dbraw/zinc/26/76/94/319267694.db2.gz PSZUXCHMWUQZII-UHFFFAOYSA-N 1 1 336.392 1.592 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[N@H+](C)C1 ZINC000413922183 319303272 /nfs/dbraw/zinc/30/32/72/319303272.db2.gz PDXJUDNJIIDMOQ-CYBMUJFWSA-N 1 1 335.360 1.080 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+](C)C1 ZINC000413922183 319303274 /nfs/dbraw/zinc/30/32/74/319303274.db2.gz PDXJUDNJIIDMOQ-CYBMUJFWSA-N 1 1 335.360 1.080 20 5 EDBDMO CCn1cc(C[N@@H+]2CCCN(c3c([N+](=O)[O-])ncn3C)CC2)cn1 ZINC000264386138 443272029 /nfs/dbraw/zinc/27/20/29/443272029.db2.gz ZKTSVSOWTBPEGK-UHFFFAOYSA-N 1 1 333.396 1.257 20 5 EDBDMO CCn1cc(C[N@H+]2CCCN(c3c([N+](=O)[O-])ncn3C)CC2)cn1 ZINC000264386138 443272032 /nfs/dbraw/zinc/27/20/32/443272032.db2.gz ZKTSVSOWTBPEGK-UHFFFAOYSA-N 1 1 333.396 1.257 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000266983478 443308442 /nfs/dbraw/zinc/30/84/42/443308442.db2.gz FBJOCKCRUKGKQW-AWEZNQCLSA-N 1 1 349.387 1.729 20 5 EDBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264528603 443314961 /nfs/dbraw/zinc/31/49/61/443314961.db2.gz NVSJTLKXNGNMRA-QGZVFWFLSA-N 1 1 346.431 1.837 20 5 EDBDMO CNS(=O)(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000264606043 443344204 /nfs/dbraw/zinc/34/42/04/443344204.db2.gz GKNTUCGZTVADOQ-LLVKDONJSA-N 1 1 327.406 1.669 20 5 EDBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000272490556 443337358 /nfs/dbraw/zinc/33/73/58/443337358.db2.gz DQTWYEXWKUXJJX-ZDUSSCGKSA-N 1 1 331.376 1.519 20 5 EDBDMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282503571 443358282 /nfs/dbraw/zinc/35/82/82/443358282.db2.gz RDDWDHFELCKVPJ-CJNGLKHVSA-N 1 1 335.404 1.753 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000278804582 443446192 /nfs/dbraw/zinc/44/61/92/443446192.db2.gz NXHSWZDQGHIPOT-GFCCVEGCSA-N 1 1 348.403 1.383 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278816399 443450755 /nfs/dbraw/zinc/45/07/55/443450755.db2.gz ZAWAKTVILPVSJY-UHFFFAOYSA-N 1 1 346.391 1.707 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1C ZINC000264992991 443502573 /nfs/dbraw/zinc/50/25/73/443502573.db2.gz CGBZMPDXESOCFK-UHFFFAOYSA-N 1 1 337.767 1.978 20 5 EDBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000265008686 443507361 /nfs/dbraw/zinc/50/73/61/443507361.db2.gz WPXHLINERZWAKQ-VXGBXAGGSA-N 1 1 347.371 1.675 20 5 EDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000265011309 443508288 /nfs/dbraw/zinc/50/82/88/443508288.db2.gz UTADULWBQBGBFU-CQSZACIVSA-N 1 1 337.424 1.871 20 5 EDBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283084094 443516916 /nfs/dbraw/zinc/51/69/16/443516916.db2.gz KVRVGGLIDAZSEL-LLVKDONJSA-N 1 1 331.369 1.234 20 5 EDBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283084094 443516921 /nfs/dbraw/zinc/51/69/21/443516921.db2.gz KVRVGGLIDAZSEL-LLVKDONJSA-N 1 1 331.369 1.234 20 5 EDBDMO COc1ccc(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000265096088 443531915 /nfs/dbraw/zinc/53/19/15/443531915.db2.gz RRGICCWUNAPMAO-GXTWGEPZSA-N 1 1 348.403 1.982 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)n1C ZINC000273512504 443578094 /nfs/dbraw/zinc/57/80/94/443578094.db2.gz XFNWTDDKULGFJK-UHFFFAOYSA-N 1 1 336.327 1.855 20 5 EDBDMO [NH3+]C1CCN(CCCC(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000433153629 319972812 /nfs/dbraw/zinc/97/28/12/319972812.db2.gz WWPLOSNKGOKYAM-UHFFFAOYSA-N 1 1 332.404 1.687 20 5 EDBDMO COc1ccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000286192118 443665204 /nfs/dbraw/zinc/66/52/04/443665204.db2.gz XPMYCOKBZSXNDJ-ZFWWWQNUSA-N 1 1 335.404 1.898 20 5 EDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000457140824 320320514 /nfs/dbraw/zinc/32/05/14/320320514.db2.gz XRNOCFJROQYNHP-ZDUSSCGKSA-N 1 1 346.387 1.075 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000457140824 320320515 /nfs/dbraw/zinc/32/05/15/320320515.db2.gz XRNOCFJROQYNHP-ZDUSSCGKSA-N 1 1 346.387 1.075 20 5 EDBDMO C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000492664973 320382179 /nfs/dbraw/zinc/38/21/79/320382179.db2.gz YQWNVGLBZIPXOS-KTLBGCOUSA-N 1 1 337.351 1.272 20 5 EDBDMO C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000492664973 320382180 /nfs/dbraw/zinc/38/21/80/320382180.db2.gz YQWNVGLBZIPXOS-KTLBGCOUSA-N 1 1 337.351 1.272 20 5 EDBDMO C[C@@H](CO)[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000280361257 443702768 /nfs/dbraw/zinc/70/27/68/443702768.db2.gz JTBQOISOAJOBMY-DZGCQCFKSA-N 1 1 338.404 1.817 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286386958 443703187 /nfs/dbraw/zinc/70/31/87/443703187.db2.gz GWFZVYSLTXKNCS-ZIAGYGMSSA-N 1 1 337.376 1.777 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000280805177 443747356 /nfs/dbraw/zinc/74/73/56/443747356.db2.gz SNMMKAYWSHJPKE-VXGBXAGGSA-N 1 1 335.360 1.664 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000280752501 443743591 /nfs/dbraw/zinc/74/35/91/443743591.db2.gz 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CC[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000288325901 443845398 /nfs/dbraw/zinc/84/53/98/443845398.db2.gz ICAUNQBJHAXANP-NSHDSACASA-N 1 1 335.360 1.532 20 5 EDBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292832987 443855611 /nfs/dbraw/zinc/85/56/11/443855611.db2.gz RLLFMIWSHWEHHX-DYLGSBMWSA-N 1 1 339.417 1.574 20 5 EDBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292832987 443855612 /nfs/dbraw/zinc/85/56/12/443855612.db2.gz RLLFMIWSHWEHHX-DYLGSBMWSA-N 1 1 339.417 1.574 20 5 EDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000298967906 443916510 /nfs/dbraw/zinc/91/65/10/443916510.db2.gz FUQTVNLQOPPZDG-QWHCGFSZSA-N 1 1 347.371 1.723 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)Cc1ccccc1 ZINC000293210310 443952420 /nfs/dbraw/zinc/95/24/20/443952420.db2.gz GGUOELRFWJDXPE-MRXNPFEDSA-N 1 1 331.372 1.292 20 5 EDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000299237077 443991831 /nfs/dbraw/zinc/99/18/31/443991831.db2.gz IKAKCTRNZOPVSB-MJBXVCDLSA-N 1 1 337.424 1.664 20 5 EDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COC[C@H]1CCCO1 ZINC000565672901 321197112 /nfs/dbraw/zinc/19/71/12/321197112.db2.gz NDRJDYRCIVXGGP-JKSUJKDBSA-N 1 1 338.404 1.626 20 5 EDBDMO CC[C@@H](O)C[NH+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278291324 444131564 /nfs/dbraw/zinc/13/15/64/444131564.db2.gz GGCSNTANDYQNRP-SNVBAGLBSA-N 1 1 348.325 1.902 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)n1 ZINC000289451428 444148030 /nfs/dbraw/zinc/14/80/30/444148030.db2.gz LBULGTACEWQZCR-OAHLLOKOSA-N 1 1 327.388 1.928 20 5 EDBDMO CNc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000574690237 321495983 /nfs/dbraw/zinc/49/59/83/321495983.db2.gz AWMUPYUCVVKUIN-INIZCTEOSA-N 1 1 341.371 1.818 20 5 EDBDMO C[N@@H+](CCO)C1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000302026325 444201241 /nfs/dbraw/zinc/20/12/41/444201241.db2.gz IBPYZOTZUBXMHG-UHFFFAOYSA-N 1 1 347.375 1.137 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@@H]1CCCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000304327685 444247045 /nfs/dbraw/zinc/24/70/45/444247045.db2.gz QQABIEYAUKYAEY-CQSZACIVSA-N 1 1 333.388 1.721 20 5 EDBDMO O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000304676069 444251344 /nfs/dbraw/zinc/25/13/44/444251344.db2.gz DBMMMTNIRVJLPG-IAGOWNOFSA-N 1 1 349.431 1.895 20 5 EDBDMO Cc1cc(=O)n(C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000305078562 444256897 /nfs/dbraw/zinc/25/68/97/444256897.db2.gz RFNHODPAAUQFKN-OAHLLOKOSA-N 1 1 331.372 1.558 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000305176554 444263124 /nfs/dbraw/zinc/26/31/24/444263124.db2.gz LPSJLJCWGUMNAP-ROUUACIJSA-N 1 1 348.447 1.340 20 5 EDBDMO C[C@H](O)C[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000305202090 444264289 /nfs/dbraw/zinc/26/42/89/444264289.db2.gz BCXBWJXBUILKBA-GXTWGEPZSA-N 1 1 333.388 1.719 20 5 EDBDMO C[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CO ZINC000305704547 444273816 /nfs/dbraw/zinc/27/38/16/444273816.db2.gz COPOGBFKEFCHHN-BLLLJJGKSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CO ZINC000305704547 444273818 /nfs/dbraw/zinc/27/38/18/444273818.db2.gz COPOGBFKEFCHHN-BLLLJJGKSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1CO ZINC000305462019 444269987 /nfs/dbraw/zinc/26/99/87/444269987.db2.gz VVFHKCROMHORJB-WBMJQRKESA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1CO ZINC000305462019 444269990 /nfs/dbraw/zinc/26/99/90/444269990.db2.gz VVFHKCROMHORJB-WBMJQRKESA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1CO ZINC000305462015 444270063 /nfs/dbraw/zinc/27/00/63/444270063.db2.gz VVFHKCROMHORJB-LRDDRELGSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1CO ZINC000305462015 444270065 /nfs/dbraw/zinc/27/00/65/444270065.db2.gz VVFHKCROMHORJB-LRDDRELGSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000303043296 444233385 /nfs/dbraw/zinc/23/33/85/444233385.db2.gz WTATWLGUUWPXGL-GRYCIOLGSA-N 1 1 336.392 1.792 20 5 EDBDMO Cc1cc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000290629400 444303304 /nfs/dbraw/zinc/30/33/04/444303304.db2.gz UUJNJLIVWPACOQ-UHFFFAOYSA-N 1 1 344.375 1.562 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000290806855 444325876 /nfs/dbraw/zinc/32/58/76/444325876.db2.gz NPAYMKZDKABFIY-CQSZACIVSA-N 1 1 346.387 1.402 20 5 EDBDMO CN(CC[N@@H+](C)C1CCCCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290479565 444286640 /nfs/dbraw/zinc/28/66/40/444286640.db2.gz BGJLLUOPKZYUCJ-UHFFFAOYSA-N 1 1 335.408 1.789 20 5 EDBDMO C[C@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)c1cccc([N+](=O)[O-])c1 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CKTSAONYUXKAAD-OAHLLOKOSA-N 1 1 329.356 1.907 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000334042497 444758576 /nfs/dbraw/zinc/75/85/76/444758576.db2.gz PWZNXMVKEJUMNQ-OBJOEFQTSA-N 1 1 348.403 1.312 20 5 EDBDMO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000619153812 450418163 /nfs/dbraw/zinc/41/81/63/450418163.db2.gz MYVVQIPYYMKLJP-INIZCTEOSA-N 1 1 346.431 1.711 20 5 EDBDMO COC[C@H]1C[C@@H](OC)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344359153 444917090 /nfs/dbraw/zinc/91/70/90/444917090.db2.gz FKUNABGZDOAEBP-HUUCEWRRSA-N 1 1 337.376 1.293 20 5 EDBDMO COC[C@H]1C[C@@H](OC)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344359153 444917092 /nfs/dbraw/zinc/91/70/92/444917092.db2.gz FKUNABGZDOAEBP-HUUCEWRRSA-N 1 1 337.376 1.293 20 5 EDBDMO Nc1cc(N)[nH+]c(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000344373918 444926686 /nfs/dbraw/zinc/92/66/86/444926686.db2.gz CLMRTPJSCBJITO-JTQLQIEISA-N 1 1 346.372 1.447 20 5 EDBDMO Cn1nccc1[C@@H]1[C@H](CNc2ncc([N+](=O)[O-])s2)CCC[N@@H+]1C ZINC000344462504 444991342 /nfs/dbraw/zinc/99/13/42/444991342.db2.gz UJLDTACFBWROOH-GWCFXTLKSA-N 1 1 336.421 2.280 20 5 EDBDMO Cn1nccc1[C@@H]1[C@H](CNc2ncc([N+](=O)[O-])s2)CCC[N@H+]1C ZINC000344462504 444991346 /nfs/dbraw/zinc/99/13/46/444991346.db2.gz UJLDTACFBWROOH-GWCFXTLKSA-N 1 1 336.421 2.280 20 5 EDBDMO CS(=O)(=O)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000337376382 445054000 /nfs/dbraw/zinc/05/40/00/445054000.db2.gz AHDDLQMGQNEZEF-HNNXBMFYSA-N 1 1 342.417 1.873 20 5 EDBDMO CS(=O)(=O)[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000337376382 445054005 /nfs/dbraw/zinc/05/40/05/445054005.db2.gz AHDDLQMGQNEZEF-HNNXBMFYSA-N 1 1 342.417 1.873 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000341865114 445041170 /nfs/dbraw/zinc/04/11/70/445041170.db2.gz FRZIEFUVNCHEIE-CYBMUJFWSA-N 1 1 346.387 1.917 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000330909385 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ZINC000596667712 449596040 /nfs/dbraw/zinc/59/60/40/449596040.db2.gz WIHALBGRZCWDDK-NSHDSACASA-N 1 1 329.360 1.651 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000600967088 449622127 /nfs/dbraw/zinc/62/21/27/449622127.db2.gz XMDKJJBDPRYSPX-GFCCVEGCSA-N 1 1 339.367 1.821 20 5 EDBDMO CC(=O)NC[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601119147 449700754 /nfs/dbraw/zinc/70/07/54/449700754.db2.gz URQHTLSTKRMMDP-CYBMUJFWSA-N 1 1 330.344 1.484 20 5 EDBDMO C[NH+]1CCN(CC2CN(c3c4ccccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000599105869 449737842 /nfs/dbraw/zinc/73/78/42/449737842.db2.gz HWFWLVJVELWTMG-UHFFFAOYSA-N 1 1 341.415 1.827 20 5 EDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000601161303 449725440 /nfs/dbraw/zinc/72/54/40/449725440.db2.gz GLAJZCVIUVLKNH-BDAKNGLRSA-N 1 1 349.313 1.256 20 5 EDBDMO COCC[N@@H+](C)CCN1C[C@@H](Nc2ccsc2[N+](=O)[O-])CC1=O ZINC000601177979 449736031 /nfs/dbraw/zinc/73/60/31/449736031.db2.gz GSRIOKSNSXFJJQ-NSHDSACASA-N 1 1 342.421 1.247 20 5 EDBDMO COCC(=O)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601104751 449692351 /nfs/dbraw/zinc/69/23/51/449692351.db2.gz FTFLDMUESRHQHZ-UHFFFAOYSA-N 1 1 330.344 1.438 20 5 EDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000601185480 449739814 /nfs/dbraw/zinc/73/98/14/449739814.db2.gz VQDZUNWUQGXOFU-BDAKNGLRSA-N 1 1 333.314 1.735 20 5 EDBDMO CC[N@@H+]1[C@H](C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000602874865 449882579 /nfs/dbraw/zinc/88/25/79/449882579.db2.gz UWGINJVAUDRICB-QLFBSQMISA-N 1 1 337.420 1.749 20 5 EDBDMO CCN1[C@H](C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000602874865 449882585 /nfs/dbraw/zinc/88/25/85/449882585.db2.gz UWGINJVAUDRICB-QLFBSQMISA-N 1 1 337.420 1.749 20 5 EDBDMO CCN1[C@H](C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000602874865 449882591 /nfs/dbraw/zinc/88/25/91/449882591.db2.gz UWGINJVAUDRICB-QLFBSQMISA-N 1 1 337.420 1.749 20 5 EDBDMO CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000595130012 449887970 /nfs/dbraw/zinc/88/79/70/449887970.db2.gz IHKKGBRIKIEFMJ-CQSZACIVSA-N 1 1 348.403 1.784 20 5 EDBDMO C[N@@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602903659 449910156 /nfs/dbraw/zinc/91/01/56/449910156.db2.gz GOCNKDFORVKYDF-LBPRGKRZSA-N 1 1 344.209 1.466 20 5 EDBDMO C[N@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602903659 449910166 /nfs/dbraw/zinc/91/01/66/449910166.db2.gz GOCNKDFORVKYDF-LBPRGKRZSA-N 1 1 344.209 1.466 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000601447332 449969812 /nfs/dbraw/zinc/96/98/12/449969812.db2.gz NPIWDXHDORCRAF-CQSZACIVSA-N 1 1 339.417 1.618 20 5 EDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599464800 449996333 /nfs/dbraw/zinc/99/63/33/449996333.db2.gz TWQDKYDSCRSKHL-ZDUSSCGKSA-N 1 1 339.417 1.890 20 5 EDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599464800 449996339 /nfs/dbraw/zinc/99/63/39/449996339.db2.gz TWQDKYDSCRSKHL-ZDUSSCGKSA-N 1 1 339.417 1.890 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000599635938 450118472 /nfs/dbraw/zinc/11/84/72/450118472.db2.gz MHZVLMILVOVXSC-YSVLISHTSA-N 1 1 336.388 1.429 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597576589 450120264 /nfs/dbraw/zinc/12/02/64/450120264.db2.gz VYBPUXZXQGNDJP-KBPBESRZSA-N 1 1 337.351 1.862 20 5 EDBDMO O=c1ccc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n[nH]1 ZINC000599642413 450123420 /nfs/dbraw/zinc/12/34/20/450123420.db2.gz SFFGGBSYRLUOPA-ZDUSSCGKSA-N 1 1 331.332 1.089 20 5 EDBDMO O=c1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n[nH]1 ZINC000599642413 450123424 /nfs/dbraw/zinc/12/34/24/450123424.db2.gz SFFGGBSYRLUOPA-ZDUSSCGKSA-N 1 1 331.332 1.089 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000610160486 450148884 /nfs/dbraw/zinc/14/88/84/450148884.db2.gz QPCUENGRVYTURN-LLVKDONJSA-N 1 1 342.421 1.020 20 5 EDBDMO CCOc1ccc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000597626009 450155106 /nfs/dbraw/zinc/15/51/06/450155106.db2.gz SACVSNSWMKLHJO-AWEZNQCLSA-N 1 1 348.403 1.113 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000595471739 450166751 /nfs/dbraw/zinc/16/67/51/450166751.db2.gz PHODAJQGWNCMLZ-CYBMUJFWSA-N 1 1 336.392 1.887 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1Cn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000603201787 450137592 /nfs/dbraw/zinc/13/75/92/450137592.db2.gz SWPWYXUQQLKMRD-LBPRGKRZSA-N 1 1 335.339 1.330 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1Cn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000603201787 450137598 /nfs/dbraw/zinc/13/75/98/450137598.db2.gz SWPWYXUQQLKMRD-LBPRGKRZSA-N 1 1 335.339 1.330 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000610447608 450222360 /nfs/dbraw/zinc/22/23/60/450222360.db2.gz VCGATYWNWZMBTK-UHFFFAOYSA-N 1 1 343.387 1.816 20 5 EDBDMO COC1(CO)CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000618550796 450239745 /nfs/dbraw/zinc/23/97/45/450239745.db2.gz FCFMMJVBRBEAFY-LBPRGKRZSA-N 1 1 337.376 1.395 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3[C@H]3COCC[C@H]3O)nc2c1 ZINC000619622775 450286070 /nfs/dbraw/zinc/28/60/70/450286070.db2.gz MZXUSKVHDLXICB-DAXOMENPSA-N 1 1 346.387 1.833 20 5 EDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603573903 450326035 /nfs/dbraw/zinc/32/60/35/450326035.db2.gz ZAMXBUHHAMUDCX-INIZCTEOSA-N 1 1 349.387 1.297 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000610900244 450374354 /nfs/dbraw/zinc/37/43/54/450374354.db2.gz NZLJGHLYBNVXHD-QMTHXVAHSA-N 1 1 338.364 1.444 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000610900244 450374358 /nfs/dbraw/zinc/37/43/58/450374358.db2.gz NZLJGHLYBNVXHD-QMTHXVAHSA-N 1 1 338.364 1.444 20 5 EDBDMO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000610907189 450377642 /nfs/dbraw/zinc/37/76/42/450377642.db2.gz CEBLLYUFBUBMEO-IUODEOHRSA-N 1 1 335.404 1.708 20 5 EDBDMO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000610907189 450377649 /nfs/dbraw/zinc/37/76/49/450377649.db2.gz CEBLLYUFBUBMEO-IUODEOHRSA-N 1 1 335.404 1.708 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000184411943 533915961 /nfs/dbraw/zinc/91/59/61/533915961.db2.gz VSYONQOWDPRUQE-GFCCVEGCSA-N 1 1 338.383 1.490 20 5 EDBDMO COc1ccccc1C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174740249 534069434 /nfs/dbraw/zinc/06/94/34/534069434.db2.gz SWDAKRRXUNIILU-MRXNPFEDSA-N 1 1 346.387 1.825 20 5 EDBDMO CC[N@@H+](CCc1nccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000159336639 528608802 /nfs/dbraw/zinc/60/88/02/528608802.db2.gz VGXYBNCJZDGRQL-LBPRGKRZSA-N 1 1 325.394 1.173 20 5 EDBDMO CC[C@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000174604945 529282183 /nfs/dbraw/zinc/28/21/83/529282183.db2.gz JJIBVHOHMFRZIR-HIFRSBDPSA-N 1 1 335.404 1.820 20 5 EDBDMO CC(C)N1CC[NH+](C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000270521199 535196366 /nfs/dbraw/zinc/19/63/66/535196366.db2.gz RDQLWTOTJCUSPA-UHFFFAOYSA-N 1 1 349.435 1.554 20 5 EDBDMO CC(C)N1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000270504262 535196404 /nfs/dbraw/zinc/19/64/04/535196404.db2.gz VENPKPANOOECNL-UHFFFAOYSA-N 1 1 333.436 1.985 20 5 EDBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000263683251 536006487 /nfs/dbraw/zinc/00/64/87/536006487.db2.gz HMUHRGMVYZKMNG-CYBMUJFWSA-N 1 1 343.387 1.885 20 5 EDBDMO COc1cc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000090465879 536894149 /nfs/dbraw/zinc/89/41/49/536894149.db2.gz SIPXHRPUNZDHSQ-KGLIPLIRSA-N 1 1 349.387 1.587 20 5 EDBDMO COc1cc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000090465879 536894152 /nfs/dbraw/zinc/89/41/52/536894152.db2.gz SIPXHRPUNZDHSQ-KGLIPLIRSA-N 1 1 349.387 1.587 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC000726965927 578504113 /nfs/dbraw/zinc/50/41/13/578504113.db2.gz SFGWJTRFGAALJP-OLZOCXBDSA-N 1 1 329.316 1.373 20 5 EDBDMO C[C@H]1C[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000751923605 579828124 /nfs/dbraw/zinc/82/81/24/579828124.db2.gz ALSSWKSABQYLQS-TXEJJXNPSA-N 1 1 332.360 1.909 20 5 EDBDMO O=C(OCCC[NH+]1CCOCC1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000752563837 579861459 /nfs/dbraw/zinc/86/14/59/579861459.db2.gz DYLSFESJDHKMRL-UHFFFAOYSA-N 1 1 330.287 1.752 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778251260 580459993 /nfs/dbraw/zinc/45/99/93/580459993.db2.gz CVFUYBMUXDVOEW-UHFFFAOYSA-N 1 1 332.345 1.534 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000769130142 580229445 /nfs/dbraw/zinc/22/94/45/580229445.db2.gz HTPCXEITGYUIQC-UHFFFAOYSA-N 1 1 336.323 1.756 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000769231856 580231766 /nfs/dbraw/zinc/23/17/66/580231766.db2.gz IACWEYFHSDECTP-UHFFFAOYSA-N 1 1 330.772 1.684 20 5 EDBDMO CC(=O)N1CCC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000769464427 580237660 /nfs/dbraw/zinc/23/76/60/580237660.db2.gz WYKLMGCLMXBTPC-ZDUSSCGKSA-N 1 1 333.392 1.487 20 5 EDBDMO COc1cccc(C(=O)OCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000769576508 580240500 /nfs/dbraw/zinc/24/05/00/580240500.db2.gz HZVXFRXIFPTYQX-UHFFFAOYSA-N 1 1 326.374 1.809 20 5 EDBDMO COC(=O)/C=C\c1ccc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000770475331 580261787 /nfs/dbraw/zinc/26/17/87/580261787.db2.gz KXMRJUMNTPYQJY-BTCCRZGASA-N 1 1 349.387 1.912 20 5 EDBDMO COC(=O)/C=C\c1ccc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000770475331 580261788 /nfs/dbraw/zinc/26/17/88/580261788.db2.gz KXMRJUMNTPYQJY-BTCCRZGASA-N 1 1 349.387 1.912 20 5 EDBDMO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+](CCO)CC1 ZINC000771929555 580298825 /nfs/dbraw/zinc/29/88/25/580298825.db2.gz YSVLXTWNDJAAAN-UHFFFAOYSA-N 1 1 344.209 1.467 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000776589482 580422849 /nfs/dbraw/zinc/42/28/49/580422849.db2.gz SLQINZMTYBAREK-SJORKVTESA-N 1 1 335.404 1.425 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@@H]1C ZINC000778393807 580464076 /nfs/dbraw/zinc/46/40/76/580464076.db2.gz MJGQNHFVJOXXNI-VIFPVBQESA-N 1 1 335.389 1.766 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@@H]1C ZINC000778393807 580464077 /nfs/dbraw/zinc/46/40/77/580464077.db2.gz MJGQNHFVJOXXNI-VIFPVBQESA-N 1 1 335.389 1.766 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000780600424 580528239 /nfs/dbraw/zinc/52/82/39/580528239.db2.gz NGYRVJJMEUDDQO-LBPRGKRZSA-N 1 1 333.392 1.524 20 5 EDBDMO O=C(CC[N@H+](CCCO)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782495506 580576198 /nfs/dbraw/zinc/57/61/98/580576198.db2.gz GVDZQEZIEMYPLE-UHFFFAOYSA-N 1 1 325.340 1.909 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782626143 580580980 /nfs/dbraw/zinc/58/09/80/580580980.db2.gz ZHLHKGPUHSBPSS-MEDUHNTESA-N 1 1 335.360 1.246 20 5 EDBDMO CCn1nccc1C[N@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796469606 580954684 /nfs/dbraw/zinc/95/46/84/580954684.db2.gz VDWOXQSSQOZTRF-INIZCTEOSA-N 1 1 334.376 1.339 20 5 EDBDMO CCn1nccc1C[N@@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796469606 580954685 /nfs/dbraw/zinc/95/46/85/580954685.db2.gz VDWOXQSSQOZTRF-INIZCTEOSA-N 1 1 334.376 1.339 20 5 EDBDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892133256 590815956 /nfs/dbraw/zinc/81/59/56/590815956.db2.gz MUUCNDDUNZQCBY-GFCCVEGCSA-N 1 1 340.376 1.794 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000891006267 590908096 /nfs/dbraw/zinc/90/80/96/590908096.db2.gz MDYVGUWBKKDZHV-UHFFFAOYSA-N 1 1 348.403 1.648 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000891006267 590908098 /nfs/dbraw/zinc/90/80/98/590908098.db2.gz MDYVGUWBKKDZHV-UHFFFAOYSA-N 1 1 348.403 1.648 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000892929755 591228912 /nfs/dbraw/zinc/22/89/12/591228912.db2.gz KRPVCMOYZRMXMN-CYBMUJFWSA-N 1 1 336.392 1.615 20 5 EDBDMO CCN(CC)C(=O)C[NH+]1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC000894343678 591284730 /nfs/dbraw/zinc/28/47/30/591284730.db2.gz XMMFZQZYRCRLQG-UHFFFAOYSA-N 1 1 338.412 1.073 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](CCc2ccncc2)CC1 ZINC000894844246 591439816 /nfs/dbraw/zinc/43/98/16/591439816.db2.gz XSSMCWQKUBEJGG-UHFFFAOYSA-N 1 1 344.419 1.879 20 5 EDBDMO C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000896533499 591498936 /nfs/dbraw/zinc/49/89/36/591498936.db2.gz OVMZIEJMAWBOCD-XHDPSFHLSA-N 1 1 338.383 1.027 20 5 EDBDMO COC(=O)c1ccnc(N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000895100666 591586921 /nfs/dbraw/zinc/58/69/21/591586921.db2.gz 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QTNXLZJIQSHYCV-AWEZNQCLSA-N 1 1 343.387 1.524 20 5 EDBDMO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000412700463 304028552 /nfs/dbraw/zinc/02/85/52/304028552.db2.gz QTNXLZJIQSHYCV-AWEZNQCLSA-N 1 1 343.387 1.524 20 5 EDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000068527723 138195538 /nfs/dbraw/zinc/19/55/38/138195538.db2.gz KWQMDWRTZUAVOQ-CYBMUJFWSA-N 1 1 335.408 1.705 20 5 EDBDMO C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000081801898 138267552 /nfs/dbraw/zinc/26/75/52/138267552.db2.gz FFFMLPBENKZZPB-UHFFFAOYSA-N 1 1 335.408 1.658 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000363938220 284068258 /nfs/dbraw/zinc/06/82/58/284068258.db2.gz NRKKKZUFQJLPOC-NEPJUHHUSA-N 1 1 347.371 1.723 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000194957952 139003241 /nfs/dbraw/zinc/00/32/41/139003241.db2.gz UZZUAEUERBGLSO-UHFFFAOYSA-N 1 1 335.404 1.822 20 5 EDBDMO CC[NH+]1CCN(C(=O)CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112077662 220239911 /nfs/dbraw/zinc/23/99/11/220239911.db2.gz NGNQCSHPXCRKRE-UHFFFAOYSA-N 1 1 343.387 1.719 20 5 EDBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[N@@H+]1C[C@H](C)O ZINC000247052207 139133334 /nfs/dbraw/zinc/13/33/34/139133334.db2.gz YPXIDDVRNIFVLD-JQWIXIFHSA-N 1 1 341.433 1.882 20 5 EDBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[N@H+]1C[C@H](C)O ZINC000247052207 139133335 /nfs/dbraw/zinc/13/33/35/139133335.db2.gz YPXIDDVRNIFVLD-JQWIXIFHSA-N 1 1 341.433 1.882 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247325903 139145000 /nfs/dbraw/zinc/14/50/00/139145000.db2.gz WNLAMHVTTMMRPE-UKRRQHHQSA-N 1 1 332.404 1.949 20 5 EDBDMO C[C@@H](CCO)[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000093303284 218212721 /nfs/dbraw/zinc/21/27/21/218212721.db2.gz XMWUECJXNWOFQH-YOEHRIQHSA-N 1 1 348.403 1.425 20 5 EDBDMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CCc3ncc([N+](=O)[O-])cc3C1)CC2 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CPBPLJGCAMQOHP-UHFFFAOYSA-N 1 1 329.360 1.558 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000263708308 139354512 /nfs/dbraw/zinc/35/45/12/139354512.db2.gz CUXFKNJAOZUSMU-GFCCVEGCSA-N 1 1 341.433 1.770 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496384456 255390010 /nfs/dbraw/zinc/39/00/10/255390010.db2.gz RAWXBAYTUBBEFV-LBPRGKRZSA-N 1 1 335.360 1.878 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000118130613 221127075 /nfs/dbraw/zinc/12/70/75/221127075.db2.gz OKXZZODWHPIHSX-LLVKDONJSA-N 1 1 334.376 1.441 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866156 221198476 /nfs/dbraw/zinc/19/84/76/221198476.db2.gz ZJAHBMDDSSZFMR-AWEZNQCLSA-N 1 1 341.371 1.775 20 5 EDBDMO NC(=O)c1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866793 221199092 /nfs/dbraw/zinc/19/90/92/221199092.db2.gz LBAWCOWDBXKNCA-CQSZACIVSA-N 1 1 341.371 1.775 20 5 EDBDMO 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CC[C@@H](CO)[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347352167 143312045 /nfs/dbraw/zinc/31/20/45/143312045.db2.gz SDXMPYNKOXIDOO-DOTOQJQBSA-N 1 1 348.403 1.425 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000347713720 143353047 /nfs/dbraw/zinc/35/30/47/143353047.db2.gz CGGCTNLUHOIVCI-GOEBONIOSA-N 1 1 331.376 1.427 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353016980 149254503 /nfs/dbraw/zinc/25/45/03/149254503.db2.gz AUDSAFJRVFINSH-NEPJUHHUSA-N 1 1 346.330 1.896 20 5 EDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000354975592 150061943 /nfs/dbraw/zinc/06/19/43/150061943.db2.gz PAPNVGXPVWXXBX-CYBMUJFWSA-N 1 1 343.387 1.804 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355313135 150211341 /nfs/dbraw/zinc/21/13/41/150211341.db2.gz GQUGOYKFAMSGRF-CVEARBPZSA-N 1 1 349.387 1.295 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000355316918 150214185 /nfs/dbraw/zinc/21/41/85/150214185.db2.gz JVLIVWRXVZGVSA-CABCVRRESA-N 1 1 337.351 1.669 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)[C@@H]2C1 ZINC000355340394 150223434 /nfs/dbraw/zinc/22/34/34/150223434.db2.gz IORSJGNOYUPJDN-HZPDHXFCSA-N 1 1 333.388 1.838 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])cnc3C)[C@@H]2C1 ZINC000355383268 150245808 /nfs/dbraw/zinc/24/58/08/150245808.db2.gz YSFZFHAJZLQLNK-HUUCEWRRSA-N 1 1 334.376 1.233 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3NC)[C@@H]2C1 ZINC000355390076 150249194 /nfs/dbraw/zinc/24/91/94/150249194.db2.gz UHYDLJHPKYBZTI-HUUCEWRRSA-N 1 1 348.403 1.572 20 5 EDBDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000357970090 151215523 /nfs/dbraw/zinc/21/55/23/151215523.db2.gz FMWWQKXPWBHJHG-AWEZNQCLSA-N 1 1 334.376 1.593 20 5 EDBDMO C[C@@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[N@@H+](C)C1CC1 ZINC000357998792 151229245 /nfs/dbraw/zinc/22/92/45/151229245.db2.gz DMSVIXXBOIUPME-LBPRGKRZSA-N 1 1 348.403 1.982 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000370049942 155303687 /nfs/dbraw/zinc/30/36/87/155303687.db2.gz LYLSMIBLKGCZMZ-CJNGLKHVSA-N 1 1 332.404 1.868 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000370080279 155315304 /nfs/dbraw/zinc/31/53/04/155315304.db2.gz FDYIBFOTALGDFY-APPDUMDISA-N 1 1 349.387 1.777 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000370080279 155315306 /nfs/dbraw/zinc/31/53/06/155315306.db2.gz FDYIBFOTALGDFY-APPDUMDISA-N 1 1 349.387 1.777 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000360554869 152093207 /nfs/dbraw/zinc/09/32/07/152093207.db2.gz ZGVQNWPYBZXIKJ-KRWDZBQOSA-N 1 1 332.404 1.917 20 5 EDBDMO CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000364468245 153245825 /nfs/dbraw/zinc/24/58/25/153245825.db2.gz ZALQOYGVMMPIPK-UONOGXRCSA-N 1 1 349.387 1.587 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000364554641 153269029 /nfs/dbraw/zinc/26/90/29/153269029.db2.gz ZAMMUIRGNKXMBT-ZDUSSCGKSA-N 1 1 336.392 1.824 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000364625399 153288678 /nfs/dbraw/zinc/28/86/78/153288678.db2.gz TWCLQHLVJBNPGQ-TXEJJXNPSA-N 1 1 325.390 1.418 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343992293 292294503 /nfs/dbraw/zinc/29/45/03/292294503.db2.gz USIXYXKXHMKZOZ-DGCLKSJQSA-N 1 1 327.406 1.664 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343992293 292294504 /nfs/dbraw/zinc/29/45/04/292294504.db2.gz USIXYXKXHMKZOZ-DGCLKSJQSA-N 1 1 327.406 1.664 20 5 EDBDMO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]2CCCCN12 ZINC000367350651 154084701 /nfs/dbraw/zinc/08/47/01/154084701.db2.gz WZYSKVRAWGHDTD-OLZOCXBDSA-N 1 1 334.332 1.746 20 5 EDBDMO CC(C)[C@@]1(CO)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000368068558 154394810 /nfs/dbraw/zinc/39/48/10/154394810.db2.gz IZVLQTZBKKSVHO-SFHVURJKSA-N 1 1 347.415 1.824 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000371689227 156063746 /nfs/dbraw/zinc/06/37/46/156063746.db2.gz NQVCJHSLUGHKOO-ARFHVFGLSA-N 1 1 349.431 1.893 20 5 EDBDMO CN1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000371689227 156063748 /nfs/dbraw/zinc/06/37/48/156063748.db2.gz NQVCJHSLUGHKOO-ARFHVFGLSA-N 1 1 349.431 1.893 20 5 EDBDMO CN1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000371689227 156063751 /nfs/dbraw/zinc/06/37/51/156063751.db2.gz NQVCJHSLUGHKOO-ARFHVFGLSA-N 1 1 349.431 1.893 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(n2cncn2)CC1 ZINC000373999950 157099911 /nfs/dbraw/zinc/09/99/11/157099911.db2.gz ADJQXTVLHWWKRD-LBPRGKRZSA-N 1 1 344.375 1.850 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CCOC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000378282446 158127825 /nfs/dbraw/zinc/12/78/25/158127825.db2.gz AMKASALTXWBICR-GFCCVEGCSA-N 1 1 337.376 1.900 20 5 EDBDMO C[C@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CC[NH+](C)CC1 ZINC000119804736 287356175 /nfs/dbraw/zinc/35/61/75/287356175.db2.gz YKIFERYGTJAREJ-CYBMUJFWSA-N 1 1 332.404 1.115 20 5 EDBDMO Cc1cccc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000159704751 225262390 /nfs/dbraw/zinc/26/23/90/225262390.db2.gz VOXYOPUUFHMTNN-UHFFFAOYSA-N 1 1 342.399 1.887 20 5 EDBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122404862 222080884 /nfs/dbraw/zinc/08/08/84/222080884.db2.gz CDGSQWILAJUCID-AWEZNQCLSA-N 1 1 348.447 1.907 20 5 EDBDMO COCC[NH+]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000122999556 222197624 /nfs/dbraw/zinc/19/76/24/222197624.db2.gz UYFVEYTZIPMMTB-UHFFFAOYSA-N 1 1 339.392 1.376 20 5 EDBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000124085117 222374474 /nfs/dbraw/zinc/37/44/74/222374474.db2.gz PZWWNXJCVOHQCM-ZJUUUORDSA-N 1 1 343.380 1.637 20 5 EDBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000124085117 222374477 /nfs/dbraw/zinc/37/44/77/222374477.db2.gz PZWWNXJCVOHQCM-ZJUUUORDSA-N 1 1 343.380 1.637 20 5 EDBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)[C@H]1c1ccccc1 ZINC000248604545 273016440 /nfs/dbraw/zinc/01/64/40/273016440.db2.gz JSGWSWYGEBJAKV-HUUCEWRRSA-N 1 1 341.371 1.747 20 5 EDBDMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274036989 268100887 /nfs/dbraw/zinc/10/08/87/268100887.db2.gz XMAGCWLUOBGHNV-HZMBPMFUSA-N 1 1 325.390 1.356 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274036989 268100889 /nfs/dbraw/zinc/10/08/89/268100889.db2.gz XMAGCWLUOBGHNV-HZMBPMFUSA-N 1 1 325.390 1.356 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000276010464 268390578 /nfs/dbraw/zinc/39/05/78/268390578.db2.gz HDJZKLZDEPCHSJ-GFCCVEGCSA-N 1 1 346.387 1.608 20 5 EDBDMO Cc1cc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278582799 268685329 /nfs/dbraw/zinc/68/53/29/268685329.db2.gz PBTPYIIJHGNPPL-STQMWFEESA-N 1 1 336.392 1.822 20 5 EDBDMO [NH3+]CC(F)(F)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000275156554 273104227 /nfs/dbraw/zinc/10/42/27/273104227.db2.gz PEYKQQWGUSYXLN-UHFFFAOYSA-N 1 1 338.108 1.681 20 5 EDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@](O)(c3nc(C4CC4)no3)C2)cc1 ZINC000277444948 273198278 /nfs/dbraw/zinc/19/82/78/273198278.db2.gz NXFJDZAGQZJMNA-KRWDZBQOSA-N 1 1 344.371 1.991 20 5 EDBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279809353 273328922 /nfs/dbraw/zinc/32/89/22/273328922.db2.gz PRWFPFNZLZQVGN-SOUVJXGZSA-N 1 1 338.404 1.960 20 5 EDBDMO C[C@@H](CO)[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000280576053 273373087 /nfs/dbraw/zinc/37/30/87/273373087.db2.gz SKQMTRWHVOGHSB-XJKSGUPXSA-N 1 1 338.404 1.817 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284377911 274180902 /nfs/dbraw/zinc/18/09/02/274180902.db2.gz FJUABELIAONCAR-IIAWOOMASA-N 1 1 336.388 1.978 20 5 EDBDMO CN1CCO[C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21 ZINC000284380018 274181762 /nfs/dbraw/zinc/18/17/62/274181762.db2.gz FKQVBQGXFRYDNP-JKSUJKDBSA-N 1 1 349.387 1.366 20 5 EDBDMO CN1CCO[C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21 ZINC000284380018 274181764 /nfs/dbraw/zinc/18/17/64/274181764.db2.gz FKQVBQGXFRYDNP-JKSUJKDBSA-N 1 1 349.387 1.366 20 5 EDBDMO CCC[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000152548174 276046806 /nfs/dbraw/zinc/04/68/06/276046806.db2.gz FTDOENMBDVBLHJ-HNNXBMFYSA-N 1 1 348.403 1.832 20 5 EDBDMO CCC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000152548174 276046807 /nfs/dbraw/zinc/04/68/07/276046807.db2.gz FTDOENMBDVBLHJ-HNNXBMFYSA-N 1 1 348.403 1.832 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264743557 276171579 /nfs/dbraw/zinc/17/15/79/276171579.db2.gz KXQHMKKXVJUNDP-CYBMUJFWSA-N 1 1 335.360 1.387 20 5 EDBDMO Cc1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000286441353 288006833 /nfs/dbraw/zinc/00/68/33/288006833.db2.gz RIAUZTTYDAYEAX-AGUYFDCRSA-N 1 1 347.419 1.794 20 5 EDBDMO C[N@H+]1CCO[C@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000286604139 288043937 /nfs/dbraw/zinc/04/39/37/288043937.db2.gz XVQRTPRVZKAXEN-QWRGUYRKSA-N 1 1 335.389 1.509 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286763642 288081192 /nfs/dbraw/zinc/08/11/92/288081192.db2.gz ZKTNYYHZAFNMHW-JQWIXIFHSA-N 1 1 349.309 1.249 20 5 EDBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]2C[NH+]2CCOCC2)s1 ZINC000287025349 288140806 /nfs/dbraw/zinc/14/08/06/288140806.db2.gz VSOBUOOLOVYDPN-NSHDSACASA-N 1 1 349.416 1.901 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3C)[C@H]2C1 ZINC000293779282 303017404 /nfs/dbraw/zinc/01/74/04/303017404.db2.gz BRCLMXGJPQICTK-JKSUJKDBSA-N 1 1 333.388 1.838 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293974739 303046652 /nfs/dbraw/zinc/04/66/52/303046652.db2.gz UZUPHNNEVGBMJS-JKSUJKDBSA-N 1 1 349.387 1.295 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294447960 303108430 /nfs/dbraw/zinc/10/84/30/303108430.db2.gz GQEJYAWOFUIHMG-UHFFFAOYSA-N 1 1 347.375 1.293 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000294755358 303143552 /nfs/dbraw/zinc/14/35/52/303143552.db2.gz AUMYRDYGRJMERB-UHFFFAOYSA-N 1 1 335.339 1.735 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000430194966 305047343 /nfs/dbraw/zinc/04/73/43/305047343.db2.gz LTYTXCGZUHBOBJ-ZDUSSCGKSA-N 1 1 337.420 1.880 20 5 EDBDMO CCOc1ccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000438785896 305189167 /nfs/dbraw/zinc/18/91/67/305189167.db2.gz XEPLNZOEGOIQQN-HNNXBMFYSA-N 1 1 334.376 1.683 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000442286944 305228194 /nfs/dbraw/zinc/22/81/94/305228194.db2.gz WDXDQKOWWFYRDL-RYUDHWBXSA-N 1 1 334.376 1.393 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000442286944 305228195 /nfs/dbraw/zinc/22/81/95/305228195.db2.gz WDXDQKOWWFYRDL-RYUDHWBXSA-N 1 1 334.376 1.393 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000444362677 305246942 /nfs/dbraw/zinc/24/69/42/305246942.db2.gz JXGJJWOROHPHQO-CYBMUJFWSA-N 1 1 335.404 1.820 20 5 EDBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC1 ZINC000448899993 305303199 /nfs/dbraw/zinc/30/31/99/305303199.db2.gz XSFDSWAVMITIEE-UHFFFAOYSA-N 1 1 343.387 1.995 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451341786 305340260 /nfs/dbraw/zinc/34/02/60/305340260.db2.gz LVKUEAAMKSSYDX-XHSDSOJGSA-N 1 1 335.404 1.772 20 5 EDBDMO COc1ccc2c(c1)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000451643805 305358781 /nfs/dbraw/zinc/35/87/81/305358781.db2.gz RCSVKKIIIXYAKI-CQSZACIVSA-N 1 1 348.359 1.055 20 5 EDBDMO COc1ccc2c(c1)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000451643805 305358782 /nfs/dbraw/zinc/35/87/82/305358782.db2.gz RCSVKKIIIXYAKI-CQSZACIVSA-N 1 1 348.359 1.055 20 5 EDBDMO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452345777 305390575 /nfs/dbraw/zinc/39/05/75/305390575.db2.gz FTZCTJVDYNDDDY-ZDUSSCGKSA-N 1 1 337.376 1.180 20 5 EDBDMO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000452362354 305392728 /nfs/dbraw/zinc/39/27/28/305392728.db2.gz KTOBFCBXVVQEIP-NSHDSACASA-N 1 1 339.396 1.018 20 5 EDBDMO CC(C)(CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000548741253 306136477 /nfs/dbraw/zinc/13/64/77/306136477.db2.gz PSKVMSIICJDSPS-UHFFFAOYSA-N 1 1 343.387 1.885 20 5 EDBDMO CN(C)CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000554550874 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347.371 1.906 20 5 EDBDMO COc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c(OC)c1 ZINC000090512220 441632063 /nfs/dbraw/zinc/63/20/63/441632063.db2.gz JZSUUHRWNDKTGD-UHFFFAOYSA-N 1 1 347.371 1.906 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000090564490 441635798 /nfs/dbraw/zinc/63/57/98/441635798.db2.gz LWIAVHIHKHOTNT-RHSMWYFYSA-N 1 1 346.431 1.705 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000090564490 441635808 /nfs/dbraw/zinc/63/58/08/441635808.db2.gz LWIAVHIHKHOTNT-RHSMWYFYSA-N 1 1 346.431 1.705 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000090564490 441635810 /nfs/dbraw/zinc/63/58/10/441635810.db2.gz LWIAVHIHKHOTNT-RHSMWYFYSA-N 1 1 346.431 1.705 20 5 EDBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000091081801 441658935 /nfs/dbraw/zinc/65/89/35/441658935.db2.gz NKTRSJZUZZKGND-CQSZACIVSA-N 1 1 331.376 1.934 20 5 EDBDMO 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CC[N@@H+](CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000171161989 442321293 /nfs/dbraw/zinc/32/12/93/442321293.db2.gz SYHFCQLAHUOQSH-UHFFFAOYSA-N 1 1 336.392 1.887 20 5 EDBDMO Cc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000177496645 442349731 /nfs/dbraw/zinc/34/97/31/442349731.db2.gz XQAQXLYCSJXJJB-CHWSQXEVSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000177496645 442349734 /nfs/dbraw/zinc/34/97/34/442349734.db2.gz XQAQXLYCSJXJJB-CHWSQXEVSA-N 1 1 336.392 1.822 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](OCCO)C3)o2)cc1 ZINC000172294717 442437395 /nfs/dbraw/zinc/43/73/95/442437395.db2.gz KMUCNZSEMQWHER-AWEZNQCLSA-N 1 1 348.359 1.618 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](OCCO)C3)o2)cc1 ZINC000172294717 442437397 /nfs/dbraw/zinc/43/73/97/442437397.db2.gz KMUCNZSEMQWHER-AWEZNQCLSA-N 1 1 348.359 1.618 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 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C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000268160518 442877215 /nfs/dbraw/zinc/87/72/15/442877215.db2.gz XAQXBTDLQKBDNE-DOMZBBRYSA-N 1 1 347.419 1.789 20 5 EDBDMO COCC[NH+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000194592051 442918808 /nfs/dbraw/zinc/91/88/08/442918808.db2.gz MWDKYNSNQKSBKU-UHFFFAOYSA-N 1 1 347.375 1.409 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000183632257 442947804 /nfs/dbraw/zinc/94/78/04/442947804.db2.gz YEJVRWGWJIVJHU-UHFFFAOYSA-N 1 1 341.433 1.541 20 5 EDBDMO COCCO[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000189668682 442991819 /nfs/dbraw/zinc/99/18/19/442991819.db2.gz QFNMGUMSXHAPAQ-HZPDHXFCSA-N 1 1 349.387 1.437 20 5 EDBDMO COCCO[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000189668682 442991822 /nfs/dbraw/zinc/99/18/22/442991822.db2.gz QFNMGUMSXHAPAQ-HZPDHXFCSA-N 1 1 349.387 1.437 20 5 EDBDMO O=C(NCC[N@H+]1CCCOCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000189430028 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JBLGLYLUGMJWFH-ZDUSSCGKSA-N 1 1 337.376 1.330 20 5 EDBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264410198 443280880 /nfs/dbraw/zinc/28/08/80/443280880.db2.gz HQAXRBNSIFXOSS-GFCCVEGCSA-N 1 1 345.403 1.442 20 5 EDBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185843404 443268802 /nfs/dbraw/zinc/26/88/02/443268802.db2.gz BHZFUIBQHRBTSU-UHFFFAOYSA-N 1 1 338.389 1.858 20 5 EDBDMO CO[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000282419080 443334053 /nfs/dbraw/zinc/33/40/53/443334053.db2.gz QQJLOVDTZWJUNF-DOMZBBRYSA-N 1 1 333.388 1.983 20 5 EDBDMO CO[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000282419080 443334055 /nfs/dbraw/zinc/33/40/55/443334055.db2.gz QQJLOVDTZWJUNF-DOMZBBRYSA-N 1 1 333.388 1.983 20 5 EDBDMO CN(C)C(=O)CCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272492186 443338089 /nfs/dbraw/zinc/33/80/89/443338089.db2.gz FBLHZFATZHPDTE-MRXNPFEDSA-N 1 1 345.403 1.876 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000191464149 443298613 /nfs/dbraw/zinc/29/86/13/443298613.db2.gz HOHSIKXAJKOXQL-LBPRGKRZSA-N 1 1 347.375 1.971 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000264687474 443374445 /nfs/dbraw/zinc/37/44/45/443374445.db2.gz BMQORVZRLXLMMH-AWEZNQCLSA-N 1 1 347.419 1.145 20 5 EDBDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282564251 443375997 /nfs/dbraw/zinc/37/59/97/443375997.db2.gz YUIFAEDXGPXDEX-NSHDSACASA-N 1 1 334.376 1.446 20 5 EDBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000264712532 443386881 /nfs/dbraw/zinc/38/68/81/443386881.db2.gz MROOLTODKFFSST-ZYHUDNBSSA-N 1 1 347.293 1.581 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000264712532 443386885 /nfs/dbraw/zinc/38/68/85/443386885.db2.gz MROOLTODKFFSST-ZYHUDNBSSA-N 1 1 347.293 1.581 20 5 EDBDMO C[N@@H+](CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000264618281 443349241 /nfs/dbraw/zinc/34/92/41/443349241.db2.gz KEPIFWTZFIRUFV-UHFFFAOYSA-N 1 1 330.344 1.673 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000278666929 443396011 /nfs/dbraw/zinc/39/60/11/443396011.db2.gz NPGDYNXQQUYDMO-MNOVXSKESA-N 1 1 340.355 1.653 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000278666929 443396015 /nfs/dbraw/zinc/39/60/15/443396015.db2.gz NPGDYNXQQUYDMO-MNOVXSKESA-N 1 1 340.355 1.653 20 5 EDBDMO O=C1C[C@]2(CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)CN1 ZINC000278845549 443459306 /nfs/dbraw/zinc/45/93/06/443459306.db2.gz JSONEOPGRYVFRH-MRXNPFEDSA-N 1 1 333.344 1.173 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272263851 443572759 /nfs/dbraw/zinc/57/27/59/443572759.db2.gz BKPNHJKMZIWCLO-TZMCWYRMSA-N 1 1 339.417 1.618 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272369029 443605401 /nfs/dbraw/zinc/60/54/01/443605401.db2.gz GGVRFPZPKOOHJG-DOMZBBRYSA-N 1 1 339.417 1.618 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272369029 443605404 /nfs/dbraw/zinc/60/54/04/443605404.db2.gz GGVRFPZPKOOHJG-DOMZBBRYSA-N 1 1 339.417 1.618 20 5 EDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000440851254 320083931 /nfs/dbraw/zinc/08/39/31/320083931.db2.gz FBIVQXHBLPOKSF-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO Cn1ccnc1[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000280274051 443688449 /nfs/dbraw/zinc/68/84/49/443688449.db2.gz YMCIMUHIUJORFP-MRXNPFEDSA-N 1 1 345.403 1.696 20 5 EDBDMO Cn1ccnc1[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000280274051 443688453 /nfs/dbraw/zinc/68/84/53/443688453.db2.gz YMCIMUHIUJORFP-MRXNPFEDSA-N 1 1 345.403 1.696 20 5 EDBDMO COC(=O)c1cnc(NC[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC000276776648 443823477 /nfs/dbraw/zinc/82/34/77/443823477.db2.gz NXDIYESLTMIPQD-JTQLQIEISA-N 1 1 331.332 1.647 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)O1 ZINC000285078661 443847110 /nfs/dbraw/zinc/84/71/10/443847110.db2.gz LTJDDHBLPWUVGJ-TUAOUCFPSA-N 1 1 337.380 1.032 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)O1 ZINC000285078661 443847115 /nfs/dbraw/zinc/84/71/15/443847115.db2.gz LTJDDHBLPWUVGJ-TUAOUCFPSA-N 1 1 337.380 1.032 20 5 EDBDMO CN(C(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000292946834 443885749 /nfs/dbraw/zinc/88/57/49/443885749.db2.gz KFTKSWGQNZZVAH-SFHVURJKSA-N 1 1 346.431 1.975 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000298785138 443868370 /nfs/dbraw/zinc/86/83/70/443868370.db2.gz HOFXHNWJAYYXLJ-NWDGAFQWSA-N 1 1 335.360 1.725 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000298785138 443868373 /nfs/dbraw/zinc/86/83/73/443868373.db2.gz HOFXHNWJAYYXLJ-NWDGAFQWSA-N 1 1 335.360 1.725 20 5 EDBDMO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000285378988 443962087 /nfs/dbraw/zinc/96/20/87/443962087.db2.gz NAVNZEVTHLQEJC-AOOOYVTPSA-N 1 1 337.332 1.371 20 5 EDBDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000285378988 443962090 /nfs/dbraw/zinc/96/20/90/443962090.db2.gz NAVNZEVTHLQEJC-AOOOYVTPSA-N 1 1 337.332 1.371 20 5 EDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299110693 443957904 /nfs/dbraw/zinc/95/79/04/443957904.db2.gz FCANEQDMPIQVIV-OAHLLOKOSA-N 1 1 343.387 1.572 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000299455156 444050842 /nfs/dbraw/zinc/05/08/42/444050842.db2.gz XALAKHBGKYJKMR-KRWDZBQOSA-N 1 1 346.387 1.396 20 5 EDBDMO CC[N@H+](CCOCCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000282045877 444070781 /nfs/dbraw/zinc/07/07/81/444070781.db2.gz LSKAPWRJEWZHDI-UHFFFAOYSA-N 1 1 345.783 1.518 20 5 EDBDMO CC[N@@H+](CCOCCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000282045877 444070782 /nfs/dbraw/zinc/07/07/82/444070782.db2.gz LSKAPWRJEWZHDI-UHFFFAOYSA-N 1 1 345.783 1.518 20 5 EDBDMO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000569521407 321328902 /nfs/dbraw/zinc/32/89/02/321328902.db2.gz FOSVNRUQMGJBGZ-IUODEOHRSA-N 1 1 348.403 1.154 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000285885744 444141129 /nfs/dbraw/zinc/14/11/29/444141129.db2.gz SBHZMBBQMNSQER-HIFRSBDPSA-N 1 1 345.355 1.886 20 5 EDBDMO CCS(=O)(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000289489840 444157254 /nfs/dbraw/zinc/15/72/54/444157254.db2.gz RKKKENPLBJRBBB-UHFFFAOYSA-N 1 1 341.433 1.807 20 5 EDBDMO COCCC[N@@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282241036 444124702 /nfs/dbraw/zinc/12/47/02/444124702.db2.gz ZZDFDKBAOVJHLF-UHFFFAOYSA-N 1 1 325.365 1.254 20 5 EDBDMO CCc1ccc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000286011363 444176089 /nfs/dbraw/zinc/17/60/89/444176089.db2.gz ZOKFLBSABZMWLP-HZPDHXFCSA-N 1 1 333.388 1.702 20 5 EDBDMO COC(=O)c1cc(NC[C@H]2C[N@@H+](C3CC3)CCO2)cc(C)c1[N+](=O)[O-] ZINC000301627894 444182844 /nfs/dbraw/zinc/18/28/44/444182844.db2.gz AGQMHENEEMJSRV-AWEZNQCLSA-N 1 1 349.387 1.965 20 5 EDBDMO COC(=O)c1cc(NC[C@H]2C[N@H+](C3CC3)CCO2)cc(C)c1[N+](=O)[O-] ZINC000301627894 444182845 /nfs/dbraw/zinc/18/28/45/444182845.db2.gz AGQMHENEEMJSRV-AWEZNQCLSA-N 1 1 349.387 1.965 20 5 EDBDMO C[N@H+]1CCO[C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@@H]21 ZINC000301946288 444197809 /nfs/dbraw/zinc/19/78/09/444197809.db2.gz XNLFRAIJALNUST-WDEREUQCSA-N 1 1 343.181 1.272 20 5 EDBDMO O=C(NCC[NH+]1CCC(O)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000296795546 444254818 /nfs/dbraw/zinc/25/48/18/444254818.db2.gz DPKGCNVRQNRGKB-UHFFFAOYSA-N 1 1 333.344 1.528 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(CN3CCOCC3)CC2)c1 ZINC000305165529 444262146 /nfs/dbraw/zinc/26/21/46/444262146.db2.gz HJHHHZDSDTZUMC-GOSISDBHSA-N 1 1 349.431 1.672 20 5 EDBDMO CC[N@@H+](C)[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302804053 444225685 /nfs/dbraw/zinc/22/56/85/444225685.db2.gz DUZWFTHEGLHKLT-NSHDSACASA-N 1 1 327.406 1.529 20 5 EDBDMO C[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000305709913 444274168 /nfs/dbraw/zinc/27/41/68/444274168.db2.gz XFNPXBWBKGLBCM-IRXDYDNUSA-N 1 1 345.403 1.141 20 5 EDBDMO CN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000305709913 444274171 /nfs/dbraw/zinc/27/41/71/444274171.db2.gz XFNPXBWBKGLBCM-IRXDYDNUSA-N 1 1 345.403 1.141 20 5 EDBDMO CN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000305709913 444274173 /nfs/dbraw/zinc/27/41/73/444274173.db2.gz XFNPXBWBKGLBCM-IRXDYDNUSA-N 1 1 345.403 1.141 20 5 EDBDMO C[C@H](CO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000305718766 444275042 /nfs/dbraw/zinc/27/50/42/444275042.db2.gz ISEKMALZRFBKMN-MRVPVSSYSA-N 1 1 346.181 1.608 20 5 EDBDMO C[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000305718766 444275044 /nfs/dbraw/zinc/27/50/44/444275044.db2.gz ISEKMALZRFBKMN-MRVPVSSYSA-N 1 1 346.181 1.608 20 5 EDBDMO C[C@@H](O)[C@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000305870318 444283754 /nfs/dbraw/zinc/28/37/54/444283754.db2.gz ODJYDCUDVVQVIA-NEPJUHHUSA-N 1 1 335.360 1.596 20 5 EDBDMO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000323460423 444343129 /nfs/dbraw/zinc/34/31/29/444343129.db2.gz CJPFZZRWHVPUAB-VHSXEESVSA-N 1 1 335.389 1.875 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000580217580 322025591 /nfs/dbraw/zinc/02/55/91/322025591.db2.gz QBNRIHZWXILSEW-DOMZBBRYSA-N 1 1 343.387 1.958 20 5 EDBDMO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000341008485 444628341 /nfs/dbraw/zinc/62/83/41/444628341.db2.gz CLNWLZMXXNRROU-DGCLKSJQSA-N 1 1 336.392 1.885 20 5 EDBDMO CCOc1ccc(NC(=O)CN2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000343785162 444589331 /nfs/dbraw/zinc/58/93/31/444589331.db2.gz RGCFVPVLYDRLCX-GFCCVEGCSA-N 1 1 336.392 1.568 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)CCC[N@@H+](C)CCN(C)C ZINC000341039945 444647313 /nfs/dbraw/zinc/64/73/13/444647313.db2.gz GEUOLTGKSRNLPH-UHFFFAOYSA-N 1 1 326.445 1.439 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)CCCN(C)CC[NH+](C)C ZINC000341039945 444647315 /nfs/dbraw/zinc/64/73/15/444647315.db2.gz GEUOLTGKSRNLPH-UHFFFAOYSA-N 1 1 326.445 1.439 20 5 EDBDMO CC(C)[N@@H+](C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000338428277 444689483 /nfs/dbraw/zinc/68/94/83/444689483.db2.gz ADAVGQBHNBBWOY-UHFFFAOYSA-N 1 1 331.376 1.851 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344027403 444737211 /nfs/dbraw/zinc/73/72/11/444737211.db2.gz LGOPOAHUOJQJBO-JGGQBBKZSA-N 1 1 333.388 1.935 20 5 EDBDMO Cn1c(C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000342624478 444784373 /nfs/dbraw/zinc/78/43/73/444784373.db2.gz ZXKCQTYFOIHDOS-HNNXBMFYSA-N 1 1 342.399 1.932 20 5 EDBDMO Cn1c(C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000342624478 444784379 /nfs/dbraw/zinc/78/43/79/444784379.db2.gz ZXKCQTYFOIHDOS-HNNXBMFYSA-N 1 1 342.399 1.932 20 5 EDBDMO C[C@H]1C[C@H](CO)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344160081 444813508 /nfs/dbraw/zinc/81/35/08/444813508.db2.gz XFYWCVCXJYQFPO-QWHCGFSZSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@H]1C[C@H](CO)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344160081 444813510 /nfs/dbraw/zinc/81/35/10/444813510.db2.gz XFYWCVCXJYQFPO-QWHCGFSZSA-N 1 1 333.388 1.577 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CC1 ZINC000342972674 444979046 /nfs/dbraw/zinc/97/90/46/444979046.db2.gz NNOSPRHSTBYILT-GFCCVEGCSA-N 1 1 346.387 1.605 20 5 EDBDMO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000330432127 444979154 /nfs/dbraw/zinc/97/91/54/444979154.db2.gz JYLAYWLTKNTPIN-NSHDSACASA-N 1 1 345.396 1.744 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000330432127 444979158 /nfs/dbraw/zinc/97/91/58/444979158.db2.gz JYLAYWLTKNTPIN-NSHDSACASA-N 1 1 345.396 1.744 20 5 EDBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342919678 444941616 /nfs/dbraw/zinc/94/16/16/444941616.db2.gz ISZLBNJYVBGVJT-LBPRGKRZSA-N 1 1 346.387 1.917 20 5 EDBDMO C[C@@H]1[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCC[N@H+]1C ZINC000343425560 445220114 /nfs/dbraw/zinc/22/01/14/445220114.db2.gz DWSMOGSXOKQGST-BXUZGUMPSA-N 1 1 344.375 1.388 20 5 EDBDMO C[C@@H]1[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343533283 445239699 /nfs/dbraw/zinc/23/96/99/445239699.db2.gz WPPJUAVMSVRUSZ-DGCLKSJQSA-N 1 1 344.375 1.388 20 5 EDBDMO CCN1CC[NH+](CCCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347443902 445238348 /nfs/dbraw/zinc/23/83/48/445238348.db2.gz ZQVXODBVVHRFMB-UHFFFAOYSA-N 1 1 344.419 1.978 20 5 EDBDMO C[C@@H](C[NH3+])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000347623723 445243575 /nfs/dbraw/zinc/24/35/75/445243575.db2.gz GYLRMNWAQPBHGB-YFKPBYRVSA-N 1 1 328.177 1.527 20 5 EDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000354571118 445298600 /nfs/dbraw/zinc/29/86/00/445298600.db2.gz IGTNRDYSYMKBRR-LLVKDONJSA-N 1 1 330.335 1.854 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000352047563 445458566 /nfs/dbraw/zinc/45/85/66/445458566.db2.gz JQXZDADADMOLCJ-CQSZACIVSA-N 1 1 335.404 1.709 20 5 EDBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000362708050 445511709 /nfs/dbraw/zinc/51/17/09/445511709.db2.gz AWUHILJVAAAEFY-NWDGAFQWSA-N 1 1 325.390 1.639 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000362708050 445511710 /nfs/dbraw/zinc/51/17/10/445511710.db2.gz AWUHILJVAAAEFY-NWDGAFQWSA-N 1 1 325.390 1.639 20 5 EDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000357287919 445527210 /nfs/dbraw/zinc/52/72/10/445527210.db2.gz JVIOZDODAOVDSC-CQSZACIVSA-N 1 1 348.403 1.832 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000362850671 445579832 /nfs/dbraw/zinc/57/98/32/445579832.db2.gz JHSGQBLFSVJIGX-LBPRGKRZSA-N 1 1 341.375 1.751 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000362850671 445579837 /nfs/dbraw/zinc/57/98/37/445579837.db2.gz JHSGQBLFSVJIGX-LBPRGKRZSA-N 1 1 341.375 1.751 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@H+]3CCC[C@H]3C2)s1 ZINC000362902186 445604289 /nfs/dbraw/zinc/60/42/89/445604289.db2.gz QXYGMHQITNDWLC-JTQLQIEISA-N 1 1 331.419 1.515 20 5 EDBDMO NC(=O)c1ccc(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000363150547 445698115 /nfs/dbraw/zinc/69/81/15/445698115.db2.gz RUZXMXDTIABJCS-OLZOCXBDSA-N 1 1 334.376 1.359 20 5 EDBDMO NC(=O)c1ccc(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000363150547 445698121 /nfs/dbraw/zinc/69/81/21/445698121.db2.gz RUZXMXDTIABJCS-OLZOCXBDSA-N 1 1 334.376 1.359 20 5 EDBDMO Cc1ccc([C@H](C)NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358701648 445727015 /nfs/dbraw/zinc/72/70/15/445727015.db2.gz HMYCLRYRQZQHLZ-BLLLJJGKSA-N 1 1 336.392 1.330 20 5 EDBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356469634 445808044 /nfs/dbraw/zinc/80/80/44/445808044.db2.gz UZNXDBBYKSEBFZ-JSGCOSHPSA-N 1 1 343.387 1.894 20 5 EDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000353999455 445846267 /nfs/dbraw/zinc/84/62/67/445846267.db2.gz LDCGFXFNYMNVDB-LBPRGKRZSA-N 1 1 344.375 1.342 20 5 EDBDMO Cc1cc(OCC(=O)N2CCC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000369079838 445915488 /nfs/dbraw/zinc/91/54/88/445915488.db2.gz YLBRUDIIFLHRQG-AWEZNQCLSA-N 1 1 333.388 1.979 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000359108796 445952494 /nfs/dbraw/zinc/95/24/94/445952494.db2.gz MRUPUVICCQMWKX-CYBMUJFWSA-N 1 1 335.408 1.606 20 5 EDBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000369265366 446031100 /nfs/dbraw/zinc/03/11/00/446031100.db2.gz GDEIRPLQLDIRBJ-LBPRGKRZSA-N 1 1 338.433 1.555 20 5 EDBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000369265366 446031104 /nfs/dbraw/zinc/03/11/04/446031104.db2.gz GDEIRPLQLDIRBJ-LBPRGKRZSA-N 1 1 338.433 1.555 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000370372890 446251677 /nfs/dbraw/zinc/25/16/77/446251677.db2.gz FTWROJNSXDNLGK-KRWDZBQOSA-N 1 1 346.431 1.690 20 5 EDBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000373596836 446276896 /nfs/dbraw/zinc/27/68/96/446276896.db2.gz SMDICZJUXNZUSP-UHFFFAOYSA-N 1 1 347.350 1.866 20 5 EDBDMO NC(=O)c1ncn([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000370592534 446347251 /nfs/dbraw/zinc/34/72/51/446347251.db2.gz HHFUXKMCSYDLKA-LLVKDONJSA-N 1 1 348.338 1.261 20 5 EDBDMO NC(=O)c1ncn([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000370592534 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O=c1[nH]c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000367711716 446577512 /nfs/dbraw/zinc/57/75/12/446577512.db2.gz FCZIOIMCGUIZEZ-GHMZBOCLSA-N 1 1 329.360 2.282 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000433774668 446599059 /nfs/dbraw/zinc/59/90/59/446599059.db2.gz PIHDTIFKEZDWTR-NSHDSACASA-N 1 1 339.396 1.282 20 5 EDBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000411703566 446652809 /nfs/dbraw/zinc/65/28/09/446652809.db2.gz XHGDAKOTHPELJY-OAHLLOKOSA-N 1 1 337.376 1.661 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000420738210 446782068 /nfs/dbraw/zinc/78/20/68/446782068.db2.gz NFULPZQBYYRHOD-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000454157815 446793805 /nfs/dbraw/zinc/79/38/05/446793805.db2.gz YWWYNGWDDUZDJE-CQSZACIVSA-N 1 1 336.392 1.872 20 5 EDBDMO Cc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000424036978 446828402 /nfs/dbraw/zinc/82/84/02/446828402.db2.gz IHWASKKFVLUQRX-CMPLNLGQSA-N 1 1 333.323 1.332 20 5 EDBDMO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000412122222 446871822 /nfs/dbraw/zinc/87/18/22/446871822.db2.gz JXCWQBASMNEAEU-RRQGHBQHSA-N 1 1 347.415 1.783 20 5 EDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CCOCC2)C1=O ZINC000375662678 446958442 /nfs/dbraw/zinc/95/84/42/446958442.db2.gz ZTUSXXQFGVLMIC-QGZVFWFLSA-N 1 1 347.415 1.849 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421022855 446993011 /nfs/dbraw/zinc/99/30/11/446993011.db2.gz PEUXLQXMHWRKOJ-AAEUAGOBSA-N 1 1 337.376 1.777 20 5 EDBDMO CN1CC[NH+](C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])CCO2)CC1 ZINC000377400331 447112144 /nfs/dbraw/zinc/11/21/44/447112144.db2.gz MBOBIDXSZGWENF-INIZCTEOSA-N 1 1 334.420 1.043 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372478034 447075500 /nfs/dbraw/zinc/07/55/00/447075500.db2.gz NBJIGUKLCSMQBB-DZGCQCFKSA-N 1 1 335.408 1.829 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CNc4ccnn4C3)C2)nc1 ZINC000619266189 450439156 /nfs/dbraw/zinc/43/91/56/450439156.db2.gz ZZAKQUVKULZMFC-CHWSQXEVSA-N 1 1 343.391 1.414 20 5 EDBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421422088 447160233 /nfs/dbraw/zinc/16/02/33/447160233.db2.gz DIHMCSWQJRNKLD-UHFFFAOYSA-N 1 1 348.403 1.152 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368816391 447130417 /nfs/dbraw/zinc/13/04/17/447130417.db2.gz KAJYYEYANVFHGB-OAHLLOKOSA-N 1 1 348.403 1.248 20 5 EDBDMO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425487921 447187685 /nfs/dbraw/zinc/18/76/85/447187685.db2.gz ZJGCGTLXQMXDEY-JTQLQIEISA-N 1 1 342.193 1.925 20 5 EDBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425487921 447187692 /nfs/dbraw/zinc/18/76/92/447187692.db2.gz ZJGCGTLXQMXDEY-JTQLQIEISA-N 1 1 342.193 1.925 20 5 EDBDMO 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447527762 /nfs/dbraw/zinc/52/77/62/447527762.db2.gz VKTLFQFYNJCWFT-LBPRGKRZSA-N 1 1 329.360 2.395 20 5 EDBDMO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000451938338 447791579 /nfs/dbraw/zinc/79/15/79/447791579.db2.gz WRJVVQPNABIWPA-CQSZACIVSA-N 1 1 341.433 1.841 20 5 EDBDMO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000451938338 447791584 /nfs/dbraw/zinc/79/15/84/447791584.db2.gz WRJVVQPNABIWPA-CQSZACIVSA-N 1 1 341.433 1.841 20 5 EDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000530491837 447898893 /nfs/dbraw/zinc/89/88/93/447898893.db2.gz CIZZEKFMOKCGGE-NWDGAFQWSA-N 1 1 342.421 1.389 20 5 EDBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+]1C ZINC000525032173 447966069 /nfs/dbraw/zinc/96/60/69/447966069.db2.gz VMQAOCVRUCMCJU-MNOVXSKESA-N 1 1 335.360 1.878 20 5 EDBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000576511698 448070976 /nfs/dbraw/zinc/07/09/76/448070976.db2.gz NKYCBBGNBOTQKS-DZGCQCFKSA-N 1 1 341.371 1.664 20 5 EDBDMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000535244937 448492340 /nfs/dbraw/zinc/49/23/40/448492340.db2.gz CIGKZXUOHIIMKU-CQSZACIVSA-N 1 1 346.431 1.506 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3c[nH]c4nccnc34)CC2)cn1 ZINC000584752306 448616557 /nfs/dbraw/zinc/61/65/57/448616557.db2.gz PEXCFJMSRAXBSI-UHFFFAOYSA-N 1 1 339.359 1.535 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000585703490 448742456 /nfs/dbraw/zinc/74/24/56/448742456.db2.gz ZVZRXVBTLDDRTD-LBPRGKRZSA-N 1 1 347.419 1.929 20 5 EDBDMO COCC[N@@H+](C)C[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000568649885 448902720 /nfs/dbraw/zinc/90/27/20/448902720.db2.gz PGHDOTMOEFABBM-ZDUSSCGKSA-N 1 1 325.409 1.359 20 5 EDBDMO COCCN(C)C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000568649885 448902728 /nfs/dbraw/zinc/90/27/28/448902728.db2.gz PGHDOTMOEFABBM-ZDUSSCGKSA-N 1 1 325.409 1.359 20 5 EDBDMO CCc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000574687427 448933240 /nfs/dbraw/zinc/93/32/40/448933240.db2.gz CUYDQDKUIYDRDC-UHFFFAOYSA-N 1 1 327.406 1.530 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000589393169 449011315 /nfs/dbraw/zinc/01/13/15/449011315.db2.gz XCGOSFSWADBNNQ-LBPRGKRZSA-N 1 1 334.376 1.306 20 5 EDBDMO O=C(CC[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595727954 449134916 /nfs/dbraw/zinc/13/49/16/449134916.db2.gz GUTARNSGDITGGO-STQMWFEESA-N 1 1 346.387 1.524 20 5 EDBDMO C[N@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000600036693 449156148 /nfs/dbraw/zinc/15/61/48/449156148.db2.gz VVJAWFAYXFHGAR-GFCCVEGCSA-N 1 1 334.376 1.381 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000590442961 449164900 /nfs/dbraw/zinc/16/49/00/449164900.db2.gz CHIMCFXHTSTXJA-LRDDRELGSA-N 1 1 341.371 1.557 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000611088069 449165130 /nfs/dbraw/zinc/16/51/30/449165130.db2.gz BMIVUEULQXANFD-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000611088069 449165135 /nfs/dbraw/zinc/16/51/35/449165135.db2.gz BMIVUEULQXANFD-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611088359 449165176 /nfs/dbraw/zinc/16/51/76/449165176.db2.gz RQSFTEBZIMFGAU-NSHDSACASA-N 1 1 337.376 1.778 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611088359 449165182 /nfs/dbraw/zinc/16/51/82/449165182.db2.gz RQSFTEBZIMFGAU-NSHDSACASA-N 1 1 337.376 1.778 20 5 EDBDMO O=C(NC1CC([NH+]2CCOCC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000600068506 449168867 /nfs/dbraw/zinc/16/88/67/449168867.db2.gz FSGQPAQYBQYBIV-UHFFFAOYSA-N 1 1 339.779 1.841 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593114622 449141443 /nfs/dbraw/zinc/14/14/43/449141443.db2.gz CGEMSJQAFZWHJX-WBMJQRKESA-N 1 1 348.378 1.953 20 5 EDBDMO Nc1ccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000590576527 449198481 /nfs/dbraw/zinc/19/84/81/449198481.db2.gz ISSGDQRMQHDVES-HNNXBMFYSA-N 1 1 341.415 2.549 20 5 EDBDMO Nc1ccc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000590576529 449199025 /nfs/dbraw/zinc/19/90/25/449199025.db2.gz ISSGDQRMQHDVES-OAHLLOKOSA-N 1 1 341.415 2.549 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1C ZINC000611216165 449220084 /nfs/dbraw/zinc/22/00/84/449220084.db2.gz ILOOGAXARRKDSE-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1C ZINC000611216165 449220091 /nfs/dbraw/zinc/22/00/91/449220091.db2.gz ILOOGAXARRKDSE-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000590555558 449188494 /nfs/dbraw/zinc/18/84/94/449188494.db2.gz QKELYAASERHZBY-AWEZNQCLSA-N 1 1 347.415 1.849 20 5 EDBDMO O=C(C[N@H+]1CC[C@H]2COC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595826924 449190676 /nfs/dbraw/zinc/19/06/76/449190676.db2.gz BDPLGQHLCZDFNG-KBPBESRZSA-N 1 1 331.372 1.452 20 5 EDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NCC[NH+]1Cc2ccccc2C1 ZINC000604482921 449236803 /nfs/dbraw/zinc/23/68/03/449236803.db2.gz PHKSEFJDOKYAFR-UHFFFAOYSA-N 1 1 327.344 1.516 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601971441 449252844 /nfs/dbraw/zinc/25/28/44/449252844.db2.gz BFDJXXQETKPNFW-SDDRHHMPSA-N 1 1 335.360 1.509 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601971441 449252851 /nfs/dbraw/zinc/25/28/51/449252851.db2.gz BFDJXXQETKPNFW-SDDRHHMPSA-N 1 1 335.360 1.509 20 5 EDBDMO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000598062782 449224450 /nfs/dbraw/zinc/22/44/50/449224450.db2.gz VIAYOXBHNARZRE-UHFFFAOYSA-N 1 1 344.375 1.355 20 5 EDBDMO C[N@H+]1CC[C@H](CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000602032957 449288618 /nfs/dbraw/zinc/28/86/18/449288618.db2.gz BYBUGISHPLQSTB-CQSZACIVSA-N 1 1 332.404 1.585 20 5 EDBDMO Nc1cc(N2CC[NH+](Cc3ccncc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525226 449321550 /nfs/dbraw/zinc/32/15/50/449321550.db2.gz OKOQULWATQTWSG-UHFFFAOYSA-N 1 1 343.387 1.387 20 5 EDBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593525818 449324332 /nfs/dbraw/zinc/32/43/32/449324332.db2.gz KWEGVSSDIMVLNY-LBPRGKRZSA-N 1 1 342.421 1.533 20 5 EDBDMO CNC(=O)C[NH+]1CCC(Nc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000596073163 449348349 /nfs/dbraw/zinc/34/83/49/449348349.db2.gz HSRBRSIMCBXMGS-UHFFFAOYSA-N 1 1 336.392 1.534 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000598342516 449356597 /nfs/dbraw/zinc/35/65/97/449356597.db2.gz JVFMAPXXGPXUMR-ZDUSSCGKSA-N 1 1 335.360 1.596 20 5 EDBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000598511896 449435255 /nfs/dbraw/zinc/43/52/55/449435255.db2.gz ULGSYPOWODTKFS-AWEZNQCLSA-N 1 1 342.355 1.700 20 5 EDBDMO C[NH+]1CCN(CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611699896 449387103 /nfs/dbraw/zinc/38/71/03/449387103.db2.gz IUDLEJXXAPSYGU-UHFFFAOYSA-N 1 1 330.392 1.587 20 5 EDBDMO CC(=O)c1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596540572 449545616 /nfs/dbraw/zinc/54/56/16/449545616.db2.gz URPBQAYQOUTVER-HNNXBMFYSA-N 1 1 333.388 1.833 20 5 EDBDMO CC1(C)CC[C@H](CO)[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598647028 449517167 /nfs/dbraw/zinc/51/71/67/449517167.db2.gz JQURRXWSILVFCG-CABCVRRESA-N 1 1 338.404 1.817 20 5 EDBDMO CC1(C)CC[C@H](CO)[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000598650011 449520089 /nfs/dbraw/zinc/52/00/89/449520089.db2.gz WYYNNDMVXAZSKX-KGLIPLIRSA-N 1 1 338.404 1.817 20 5 EDBDMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000598736610 449571100 /nfs/dbraw/zinc/57/11/00/449571100.db2.gz DADUOWPPRRQAPM-LBPRGKRZSA-N 1 1 331.332 1.137 20 5 EDBDMO C[N@@H+](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC000600816290 449560463 /nfs/dbraw/zinc/56/04/63/449560463.db2.gz NZKXLCJDAAISAU-UHFFFAOYSA-N 1 1 332.404 1.728 20 5 EDBDMO C[N@@H+](CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1CCC1 ZINC000600817728 449561649 /nfs/dbraw/zinc/56/16/49/449561649.db2.gz UNYXQFMAIPXAIW-UHFFFAOYSA-N 1 1 329.360 2.408 20 5 EDBDMO Cc1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000594601385 449588797 /nfs/dbraw/zinc/58/87/97/449588797.db2.gz ABOQSJXIXLJKDL-QWHCGFSZSA-N 1 1 328.372 1.707 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598902469 449639243 /nfs/dbraw/zinc/63/92/43/449639243.db2.gz NFQXNGLYSIGODM-NWDGAFQWSA-N 1 1 349.391 1.267 20 5 EDBDMO COCCO[C@@H]1COCC[C@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601147670 449717800 /nfs/dbraw/zinc/71/78/00/449717800.db2.gz VSICHIDRPCTHGA-IAGOWNOFSA-N 1 1 347.371 1.797 20 5 EDBDMO C[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617690061 449736828 /nfs/dbraw/zinc/73/68/28/449736828.db2.gz OTZONHKRQIADKT-AWEZNQCLSA-N 1 1 334.420 1.452 20 5 EDBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594776112 449687882 /nfs/dbraw/zinc/68/78/82/449687882.db2.gz QYONGVMSKJRQTI-LLVKDONJSA-N 1 1 330.410 1.389 20 5 EDBDMO Cc1[nH+]cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1C ZINC000597011582 449765433 /nfs/dbraw/zinc/76/54/33/449765433.db2.gz DARJYHWBYMMURY-UHFFFAOYSA-N 1 1 343.387 1.595 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000602852709 449859352 /nfs/dbraw/zinc/85/93/52/449859352.db2.gz GMMWEEVNAFNEOR-ZBFHGGJFSA-N 1 1 331.376 1.427 20 5 EDBDMO CC1(C)CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CC[N@H+]1CCO ZINC000614894451 449864198 /nfs/dbraw/zinc/86/41/98/449864198.db2.gz DGSSBNLQTZVQFQ-UHFFFAOYSA-N 1 1 346.387 1.605 20 5 EDBDMO CC[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601358702 449872450 /nfs/dbraw/zinc/87/24/50/449872450.db2.gz MMMKBJIJHWYQKD-ZYHUDNBSSA-N 1 1 345.396 1.661 20 5 EDBDMO Cc1ccc([C@H](C)NS(=O)(=O)CC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000601365063 449878332 /nfs/dbraw/zinc/87/83/32/449878332.db2.gz QPFNSSZGOGMUGK-LBPRGKRZSA-N 1 1 341.433 1.978 20 5 EDBDMO COCCO[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000615140443 449974766 /nfs/dbraw/zinc/97/47/66/449974766.db2.gz MEAICCJCEFLHMX-CYBMUJFWSA-N 1 1 338.360 1.603 20 5 EDBDMO COCCO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000615140443 449974772 /nfs/dbraw/zinc/97/47/72/449974772.db2.gz MEAICCJCEFLHMX-CYBMUJFWSA-N 1 1 338.360 1.603 20 5 EDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000609269920 449996274 /nfs/dbraw/zinc/99/62/74/449996274.db2.gz ZTVHPDSLLNNFOX-CYBMUJFWSA-N 1 1 337.376 1.444 20 5 EDBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595357009 450072557 /nfs/dbraw/zinc/07/25/57/450072557.db2.gz WIGVJLZCCFTHLL-AWEZNQCLSA-N 1 1 341.433 1.541 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595375311 450087542 /nfs/dbraw/zinc/08/75/42/450087542.db2.gz NDLSSOWKIUJKJR-UKRRQHHQSA-N 1 1 337.424 1.177 20 5 EDBDMO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595388807 450102839 /nfs/dbraw/zinc/10/28/39/450102839.db2.gz IXGKTZBLDGZXIZ-AWEZNQCLSA-N 1 1 326.324 1.480 20 5 EDBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000599695979 450159982 /nfs/dbraw/zinc/15/99/82/450159982.db2.gz ZORKTAABTMYFQL-OLZOCXBDSA-N 1 1 341.433 1.917 20 5 EDBDMO Cc1nccc([C@@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000610336011 450194824 /nfs/dbraw/zinc/19/48/24/450194824.db2.gz KAPHLRNGRANJBQ-HIFRSBDPSA-N 1 1 346.391 1.130 20 5 EDBDMO C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1C[N@H+](C)CCO1 ZINC000610926898 450381889 /nfs/dbraw/zinc/38/18/89/450381889.db2.gz SPDAHKANQBCNCS-MEBBXXQBSA-N 1 1 332.360 1.525 20 5 EDBDMO C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1C[N@@H+](C)CCO1 ZINC000610926898 450381892 /nfs/dbraw/zinc/38/18/92/450381892.db2.gz SPDAHKANQBCNCS-MEBBXXQBSA-N 1 1 332.360 1.525 20 5 EDBDMO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000158973232 534627852 /nfs/dbraw/zinc/62/78/52/534627852.db2.gz RFDVDYQMMPYDCI-CYBMUJFWSA-N 1 1 329.360 1.885 20 5 EDBDMO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000271716127 534656436 /nfs/dbraw/zinc/65/64/36/534656436.db2.gz JYWNNYUPJXCVGE-JSGCOSHPSA-N 1 1 348.403 1.373 20 5 EDBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000154441197 528546914 /nfs/dbraw/zinc/54/69/14/528546914.db2.gz OVBJTVJBISCQGU-YPMHNXCESA-N 1 1 335.408 1.827 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000154441197 528546917 /nfs/dbraw/zinc/54/69/17/528546917.db2.gz OVBJTVJBISCQGU-YPMHNXCESA-N 1 1 335.408 1.827 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000154441197 528546921 /nfs/dbraw/zinc/54/69/21/528546921.db2.gz OVBJTVJBISCQGU-YPMHNXCESA-N 1 1 335.408 1.827 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@H](C)O ZINC000246834856 535842236 /nfs/dbraw/zinc/84/22/36/535842236.db2.gz MBLOZOHPWBFNTM-NWDGAFQWSA-N 1 1 339.367 1.651 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C[C@H](C)O ZINC000246834856 535842242 /nfs/dbraw/zinc/84/22/42/535842242.db2.gz MBLOZOHPWBFNTM-NWDGAFQWSA-N 1 1 339.367 1.651 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000742195185 579439238 /nfs/dbraw/zinc/43/92/38/579439238.db2.gz NAUGMFGGOBDMDV-NSHDSACASA-N 1 1 335.360 1.548 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000742195185 579439240 /nfs/dbraw/zinc/43/92/40/579439240.db2.gz NAUGMFGGOBDMDV-NSHDSACASA-N 1 1 335.360 1.548 20 5 EDBDMO COc1cc(C(=O)NCC[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000742238753 579444416 /nfs/dbraw/zinc/44/44/16/579444416.db2.gz BBUGEPFFUJZPSO-LLVKDONJSA-N 1 1 337.376 1.826 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000743400421 579479098 /nfs/dbraw/zinc/47/90/98/579479098.db2.gz SLDXELBLGDDICW-LBPRGKRZSA-N 1 1 346.387 1.422 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000743980694 579496660 /nfs/dbraw/zinc/49/66/60/579496660.db2.gz GXSWQGZOHZZUFT-LBPRGKRZSA-N 1 1 334.376 1.442 20 5 EDBDMO C[C@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000725779570 578281238 /nfs/dbraw/zinc/28/12/38/578281238.db2.gz OUDMKQYVDHZDON-MEDUHNTESA-N 1 1 332.360 1.661 20 5 EDBDMO C[C@H]1CC[N@@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000725779570 578281239 /nfs/dbraw/zinc/28/12/39/578281239.db2.gz OUDMKQYVDHZDON-MEDUHNTESA-N 1 1 332.360 1.661 20 5 EDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729502351 578578055 /nfs/dbraw/zinc/57/80/55/578578055.db2.gz SMNNIQUPEYYOMX-CABCVRRESA-N 1 1 348.403 1.599 20 5 EDBDMO C[C@H](O)C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000729920546 578599587 /nfs/dbraw/zinc/59/95/87/578599587.db2.gz ZPVSSMJLZIPTQR-NSHDSACASA-N 1 1 338.364 1.784 20 5 EDBDMO CN(Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732187978 578696073 /nfs/dbraw/zinc/69/60/73/578696073.db2.gz CJMZGCHYLNRRHT-CYBMUJFWSA-N 1 1 332.360 1.629 20 5 EDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735759259 578921200 /nfs/dbraw/zinc/92/12/00/578921200.db2.gz QQGQFMKTUDYSJC-CQSZACIVSA-N 1 1 331.380 1.551 20 5 EDBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736295985 578973720 /nfs/dbraw/zinc/97/37/20/578973720.db2.gz ZMIKYPKWYFGAAC-JQWIXIFHSA-N 1 1 329.364 1.448 20 5 EDBDMO C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000746435693 579593860 /nfs/dbraw/zinc/59/38/60/579593860.db2.gz HHVXMMAONQBRBB-LBPRGKRZSA-N 1 1 329.360 1.557 20 5 EDBDMO C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000746435693 579593861 /nfs/dbraw/zinc/59/38/61/579593861.db2.gz HHVXMMAONQBRBB-LBPRGKRZSA-N 1 1 329.360 1.557 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000747230527 579634638 /nfs/dbraw/zinc/63/46/38/579634638.db2.gz TYUIFIBWXLTCIC-CHWSQXEVSA-N 1 1 344.371 1.669 20 5 EDBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000754080035 579895882 /nfs/dbraw/zinc/89/58/82/579895882.db2.gz AFYYBNQQWRXDAI-CYBMUJFWSA-N 1 1 348.359 1.072 20 5 EDBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000754080035 579895883 /nfs/dbraw/zinc/89/58/83/579895883.db2.gz AFYYBNQQWRXDAI-CYBMUJFWSA-N 1 1 348.359 1.072 20 5 EDBDMO O=[N+]([O-])c1ccc(Br)cc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000754083231 579895929 /nfs/dbraw/zinc/89/59/29/579895929.db2.gz WKAVDVFXRVBAEI-NSHDSACASA-N 1 1 342.193 1.878 20 5 EDBDMO O=[N+]([O-])c1ccc(Br)cc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000754083231 579895930 /nfs/dbraw/zinc/89/59/30/579895930.db2.gz WKAVDVFXRVBAEI-NSHDSACASA-N 1 1 342.193 1.878 20 5 EDBDMO O=C1O[C@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC12CC2 ZINC000763664098 580103662 /nfs/dbraw/zinc/10/36/62/580103662.db2.gz YOHVSQLLHVBYSR-HNNXBMFYSA-N 1 1 331.372 1.813 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)CN3CCCC3)CC2)cc1 ZINC000765292532 580139542 /nfs/dbraw/zinc/13/95/42/580139542.db2.gz VVGIQZRGWFENPK-SFHVURJKSA-N 1 1 348.447 1.610 20 5 EDBDMO CC1(C)CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000780225505 580516541 /nfs/dbraw/zinc/51/65/41/580516541.db2.gz QAHVVXXLQTYLBC-UHFFFAOYSA-N 1 1 338.433 1.680 20 5 EDBDMO CC1(C)CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000780225505 580516542 /nfs/dbraw/zinc/51/65/42/580516542.db2.gz QAHVVXXLQTYLBC-UHFFFAOYSA-N 1 1 338.433 1.680 20 5 EDBDMO C[N@H+]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C(C)(C)C1 ZINC000781787970 580557085 /nfs/dbraw/zinc/55/70/85/580557085.db2.gz IUYWLWJQEXWHFG-OAHLLOKOSA-N 1 1 346.387 1.640 20 5 EDBDMO O=C1NCC2(CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)O1 ZINC000783718914 580604674 /nfs/dbraw/zinc/60/46/74/580604674.db2.gz XEINUBYJYWEWMG-UHFFFAOYSA-N 1 1 349.343 1.440 20 5 EDBDMO Cc1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1Br ZINC000787889982 580708278 /nfs/dbraw/zinc/70/82/78/580708278.db2.gz VPESKLNZTURWSX-UHFFFAOYSA-N 1 1 344.209 1.780 20 5 EDBDMO C[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788594668 580725416 /nfs/dbraw/zinc/72/54/16/580725416.db2.gz OJMAFTYJEWAOJX-TZMCWYRMSA-N 1 1 349.435 1.415 20 5 EDBDMO Cc1c(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000790293236 580766252 /nfs/dbraw/zinc/76/62/52/580766252.db2.gz VJKXCXAVVLBRSJ-HUUCEWRRSA-N 1 1 348.403 1.566 20 5 EDBDMO COc1c(O)ccc(C[NH+]2CCC(N3CCCC3=O)CC2)c1[N+](=O)[O-] ZINC000891935430 590694988 /nfs/dbraw/zinc/69/49/88/590694988.db2.gz PRQNIZLJJFFVGK-UHFFFAOYSA-N 1 1 349.387 1.896 20 5 EDBDMO Cn1nc2c(c1C[N@H+]1CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C1)CCC2 ZINC000892079007 590787403 /nfs/dbraw/zinc/78/74/03/590787403.db2.gz VUTMIIVMKSYZMJ-LBPRGKRZSA-N 1 1 342.403 1.898 20 5 EDBDMO COCCO[C@H]1CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000893873381 591123843 /nfs/dbraw/zinc/12/38/43/591123843.db2.gz HDRVJMCFABGHKO-LBPRGKRZSA-N 1 1 326.349 1.546 20 5 EDBDMO COCCO[C@H]1CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000893873381 591123848 /nfs/dbraw/zinc/12/38/48/591123848.db2.gz HDRVJMCFABGHKO-LBPRGKRZSA-N 1 1 326.349 1.546 20 5 EDBDMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCNCC[NH2+]CC2)o1 ZINC000904397854 592252761 /nfs/dbraw/zinc/25/27/61/592252761.db2.gz IHSIXTSOJRKJKW-UHFFFAOYSA-N 1 1 330.388 1.850 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000901284316 592325842 /nfs/dbraw/zinc/32/58/42/592325842.db2.gz ALXSMEYHERTYQY-VXGBXAGGSA-N 1 1 349.387 1.921 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000901284316 592325847 /nfs/dbraw/zinc/32/58/47/592325847.db2.gz ALXSMEYHERTYQY-VXGBXAGGSA-N 1 1 349.387 1.921 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)[C@H](C)C1 ZINC000908140166 592349303 /nfs/dbraw/zinc/34/93/03/592349303.db2.gz GNWQOMSRBMDPRA-GFCCVEGCSA-N 1 1 349.387 1.922 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)[C@H](C)C1 ZINC000908140166 592349308 /nfs/dbraw/zinc/34/93/08/592349308.db2.gz GNWQOMSRBMDPRA-GFCCVEGCSA-N 1 1 349.387 1.922 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c1C ZINC000908199975 592378694 /nfs/dbraw/zinc/37/86/94/592378694.db2.gz HEIHBWGDIJROGK-KGLIPLIRSA-N 1 1 333.388 1.493 20 5 EDBDMO CC[N@H+]1[C@H](C)CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000905163110 592449926 /nfs/dbraw/zinc/44/99/26/592449926.db2.gz XDQPUFQAEURORX-BETUJISGSA-N 1 1 348.403 1.783 20 5 EDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000905163110 592449930 /nfs/dbraw/zinc/44/99/30/592449930.db2.gz XDQPUFQAEURORX-BETUJISGSA-N 1 1 348.403 1.783 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000907549767 592703092 /nfs/dbraw/zinc/70/30/92/592703092.db2.gz WBSLXYXGKKYADM-RISCZKNCSA-N 1 1 325.390 1.167 20 5 EDBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000731019904 592920492 /nfs/dbraw/zinc/92/04/92/592920492.db2.gz LWFQZKRNJPHWRP-AWEZNQCLSA-N 1 1 343.387 1.545 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000808131449 593326225 /nfs/dbraw/zinc/32/62/25/593326225.db2.gz NJGJFGMCJKCGSZ-UHFFFAOYSA-N 1 1 325.369 1.798 20 5 EDBDMO CN(CCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])CC[NH+](C)C ZINC000808131449 593326227 /nfs/dbraw/zinc/32/62/27/593326227.db2.gz NJGJFGMCJKCGSZ-UHFFFAOYSA-N 1 1 325.369 1.798 20 5 EDBDMO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000839556958 593336089 /nfs/dbraw/zinc/33/60/89/593336089.db2.gz VJKPRRPWCCUCRV-BZUAXINKSA-N 1 1 333.388 1.150 20 5 EDBDMO Cc1nn(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000840188658 593372143 /nfs/dbraw/zinc/37/21/43/593372143.db2.gz MYCBRZUIIXIBBF-GFCCVEGCSA-N 1 1 346.391 1.594 20 5 EDBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000812309586 593495864 /nfs/dbraw/zinc/49/58/64/593495864.db2.gz HDBFZFISVNUTGE-GFCCVEGCSA-N 1 1 333.392 1.789 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C[C@@H]2C1 ZINC000812332882 593497823 /nfs/dbraw/zinc/49/78/23/593497823.db2.gz MBUMXMQSJICAPO-NEPJUHHUSA-N 1 1 347.371 1.390 20 5 EDBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850741 593510734 /nfs/dbraw/zinc/51/07/34/593510734.db2.gz OKCRIHKJDGAHFK-JQFCIGGWSA-N 1 1 348.403 1.596 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000817375737 593598486 /nfs/dbraw/zinc/59/84/86/593598486.db2.gz ZLXDUUNOGKRESV-CQSZACIVSA-N 1 1 347.419 1.820 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000819061420 593736552 /nfs/dbraw/zinc/73/65/52/593736552.db2.gz LLQJXWVUFTZQPC-ROUUACIJSA-N 1 1 349.431 1.861 20 5 EDBDMO CC(C)C[N@H+]1CC[C@@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820092462 593790532 /nfs/dbraw/zinc/79/05/32/593790532.db2.gz MFMTYYBXIAFVTF-NSHDSACASA-N 1 1 346.395 1.560 20 5 EDBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821057156 593955511 /nfs/dbraw/zinc/95/55/11/593955511.db2.gz MVDNKFKVAPRJNV-OIISXLGYSA-N 1 1 347.415 1.661 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821165786 593980884 /nfs/dbraw/zinc/98/08/84/593980884.db2.gz WAQLJUPUOIAYIT-LLVKDONJSA-N 1 1 331.380 1.553 20 5 EDBDMO C[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000825079207 594127065 /nfs/dbraw/zinc/12/70/65/594127065.db2.gz NXTCSHLSBLSCGK-IOASZLSFSA-N 1 1 335.404 1.865 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000828699184 594481887 /nfs/dbraw/zinc/48/18/87/594481887.db2.gz VNSUTOZXNBQUNG-UHFFFAOYSA-N 1 1 329.784 1.601 20 5 EDBDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000826725317 594564826 /nfs/dbraw/zinc/56/48/26/594564826.db2.gz WOORUKDSLLXVKG-HNNXBMFYSA-N 1 1 342.355 1.059 20 5 EDBDMO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000826725317 594564828 /nfs/dbraw/zinc/56/48/28/594564828.db2.gz WOORUKDSLLXVKG-HNNXBMFYSA-N 1 1 342.355 1.059 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000827329414 594661508 /nfs/dbraw/zinc/66/15/08/594661508.db2.gz GLWLETLGJMFDIH-SMDDNHRTSA-N 1 1 337.351 1.665 20 5 EDBDMO COc1cc(C[NH2+]CCS(=O)(=O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000840965106 594833565 /nfs/dbraw/zinc/83/35/65/594833565.db2.gz YELMOIXBTKTXDM-UHFFFAOYSA-N 1 1 344.389 1.279 20 5 EDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836367157 594956042 /nfs/dbraw/zinc/95/60/42/594956042.db2.gz VJSLDFGFRGICFU-JTQLQIEISA-N 1 1 342.783 1.779 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836367157 594956045 /nfs/dbraw/zinc/95/60/45/594956045.db2.gz VJSLDFGFRGICFU-JTQLQIEISA-N 1 1 342.783 1.779 20 5 EDBDMO C[C@@H]([NH2+]C1CC1)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000843224525 595043376 /nfs/dbraw/zinc/04/33/76/595043376.db2.gz PADWDIKFYLOWLE-SNVBAGLBSA-N 1 1 345.359 1.650 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000867396187 595065446 /nfs/dbraw/zinc/06/54/46/595065446.db2.gz VYGNGXLYRCPDSU-SNVBAGLBSA-N 1 1 333.435 1.761 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000867396187 595065450 /nfs/dbraw/zinc/06/54/50/595065450.db2.gz VYGNGXLYRCPDSU-SNVBAGLBSA-N 1 1 333.435 1.761 20 5 EDBDMO CC(C)[NH+]1CC(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000837544924 595135606 /nfs/dbraw/zinc/13/56/06/595135606.db2.gz YDHULBOZWLAAJA-UHFFFAOYSA-N 1 1 336.348 1.644 20 5 EDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000843804613 595190636 /nfs/dbraw/zinc/19/06/36/595190636.db2.gz JMMCUWXSZSDUMI-NSHDSACASA-N 1 1 339.367 1.740 20 5 EDBDMO COC(=O)NC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000852767576 595534362 /nfs/dbraw/zinc/53/43/62/595534362.db2.gz GLKDFZGVIRLPTB-UHFFFAOYSA-N 1 1 336.348 1.014 20 5 EDBDMO C[C@]12COC[C@H]1C[N@@H+](Cn1cnc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000853567172 595807039 /nfs/dbraw/zinc/80/70/39/595807039.db2.gz ULVJAVACMUFIGV-CJNGLKHVSA-N 1 1 329.360 1.779 20 5 EDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000855809907 595828390 /nfs/dbraw/zinc/82/83/90/595828390.db2.gz OVHMKGNTCRHCOI-NSHDSACASA-N 1 1 333.392 1.709 20 5 EDBDMO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH+](CCCF)CC3)cc2N1 ZINC000858600178 595838788 /nfs/dbraw/zinc/83/87/88/595838788.db2.gz UEHVVAJQSAKDIT-UHFFFAOYSA-N 1 1 336.367 1.961 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCS(=O)(=O)C1CC1 ZINC000850473961 595840608 /nfs/dbraw/zinc/84/06/08/595840608.db2.gz JKSDZFXAAJAQLC-JTQLQIEISA-N 1 1 328.390 1.831 20 5 EDBDMO COC(=O)c1ccnc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000856726387 596061133 /nfs/dbraw/zinc/06/11/33/596061133.db2.gz FHFWEMXGYOVCME-WDEREUQCSA-N 1 1 336.348 1.052 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H]2C[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852636572 596214776 /nfs/dbraw/zinc/21/47/76/596214776.db2.gz XPIKEEFUGWEPRY-HUUCEWRRSA-N 1 1 344.415 1.585 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000866577044 596255925 /nfs/dbraw/zinc/25/59/25/596255925.db2.gz MSNAURCJZWQQAK-SNVBAGLBSA-N 1 1 331.369 1.415 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000866577044 596255928 /nfs/dbraw/zinc/25/59/28/596255928.db2.gz MSNAURCJZWQQAK-SNVBAGLBSA-N 1 1 331.369 1.415 20 5 EDBDMO CC1(C)CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000867648993 596479211 /nfs/dbraw/zinc/47/92/11/596479211.db2.gz LCASYBPYCXWNDY-UHFFFAOYSA-N 1 1 339.367 1.192 20 5 EDBDMO CC1(C)CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000867648993 596479216 /nfs/dbraw/zinc/47/92/16/596479216.db2.gz LCASYBPYCXWNDY-UHFFFAOYSA-N 1 1 339.367 1.192 20 5 EDBDMO C[N@@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863323350 596551514 /nfs/dbraw/zinc/55/15/14/596551514.db2.gz LSZMDLVHWWKPTK-VHDGCEQUSA-N 1 1 346.387 1.064 20 5 EDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000867832933 596578153 /nfs/dbraw/zinc/57/81/53/596578153.db2.gz UCHWNEGQMVLGHI-UHFFFAOYSA-N 1 1 333.323 1.348 20 5 EDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000865485526 596588007 /nfs/dbraw/zinc/58/80/07/596588007.db2.gz RZJWNQZVFRMTMQ-IUCAKERBSA-N 1 1 349.313 1.622 20 5 EDBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000119520202 596610702 /nfs/dbraw/zinc/61/07/02/596610702.db2.gz ZWYQXIGLANCSSX-SECBINFHSA-N 1 1 331.419 1.419 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206764 596827001 /nfs/dbraw/zinc/82/70/01/596827001.db2.gz FVQOJFKVPVGMJM-YPMHNXCESA-N 1 1 334.376 1.615 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000872663359 597018727 /nfs/dbraw/zinc/01/87/27/597018727.db2.gz KCFHLNOOLXBIAK-KGLIPLIRSA-N 1 1 325.390 1.452 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC[C@H]21 ZINC000872724111 597046360 /nfs/dbraw/zinc/04/63/60/597046360.db2.gz DRCWAPVDSVYQHF-XHDPSFHLSA-N 1 1 344.371 1.174 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC000874840570 597194212 /nfs/dbraw/zinc/19/42/12/597194212.db2.gz PJBCKTPXTYHYNM-ZIAGYGMSSA-N 1 1 335.408 1.493 20 5 EDBDMO Cc1ccc([C@@H](C)NCC(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000878373805 597598309 /nfs/dbraw/zinc/59/83/09/597598309.db2.gz USKVFKPYIRNGHD-CYBMUJFWSA-N 1 1 334.420 1.764 20 5 EDBDMO CN(C(=O)CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000879574544 597638003 /nfs/dbraw/zinc/63/80/03/597638003.db2.gz BEYQTNSSZBCFCJ-XJKSGUPXSA-N 1 1 332.404 1.584 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000879576706 597639869 /nfs/dbraw/zinc/63/98/69/597639869.db2.gz XDGSEWPGHRVZMU-ZBFHGGJFSA-N 1 1 344.415 1.510 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000881805698 597730934 /nfs/dbraw/zinc/73/09/34/597730934.db2.gz PNLQPJTUJHDPTO-SNVBAGLBSA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000881805698 597730937 /nfs/dbraw/zinc/73/09/37/597730937.db2.gz PNLQPJTUJHDPTO-SNVBAGLBSA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)C(C)C ZINC000132377742 597836015 /nfs/dbraw/zinc/83/60/15/597836015.db2.gz ZDZPISHIRFKJTO-UHFFFAOYSA-N 1 1 333.385 1.661 20 5 EDBDMO O=C1CC2(CCC2)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1 ZINC000880171636 597864870 /nfs/dbraw/zinc/86/48/70/597864870.db2.gz BXDKZNZZKQKMRE-UHFFFAOYSA-N 1 1 347.371 1.706 20 5 EDBDMO O=C1CC2(CCC2)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1 ZINC000880171636 597864872 /nfs/dbraw/zinc/86/48/72/597864872.db2.gz BXDKZNZZKQKMRE-UHFFFAOYSA-N 1 1 347.371 1.706 20 5 EDBDMO CO[C@@H]1COCC[C@H]1[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000880427065 597929256 /nfs/dbraw/zinc/92/92/56/597929256.db2.gz AJXASFAAFJPMKU-TZMCWYRMSA-N 1 1 337.376 1.577 20 5 EDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000880427065 597929257 /nfs/dbraw/zinc/92/92/57/597929257.db2.gz AJXASFAAFJPMKU-TZMCWYRMSA-N 1 1 337.376 1.577 20 5 EDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000133775978 598002001 /nfs/dbraw/zinc/00/20/01/598002001.db2.gz HNXVVIDWSIDWGM-SECBINFHSA-N 1 1 333.797 1.539 20 5 EDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000133775978 598002003 /nfs/dbraw/zinc/00/20/03/598002003.db2.gz HNXVVIDWSIDWGM-SECBINFHSA-N 1 1 333.797 1.539 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000920044679 697386144 /nfs/dbraw/zinc/38/61/44/697386144.db2.gz PVVICZZMNZDJAX-VHSXEESVSA-N 1 1 331.419 1.561 20 5 EDBDMO Cc1[nH]c(=O)[nH]c1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001031750199 698935995 /nfs/dbraw/zinc/93/59/95/698935995.db2.gz GELSBQVLIAUNQC-UHFFFAOYSA-N 1 1 345.359 1.194 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000996429733 702783802 /nfs/dbraw/zinc/78/38/02/702783802.db2.gz VDHBGMFHXGGYMG-GDBMZVCRSA-N 1 1 335.379 1.614 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC4(CC3)OCCO4)n2)cc1 ZINC000052533074 214132328 /nfs/dbraw/zinc/13/23/28/214132328.db2.gz FSVLWOYNFKECET-UHFFFAOYSA-N 1 1 346.343 1.984 20 5 EDBDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000072835837 138210689 /nfs/dbraw/zinc/21/06/89/138210689.db2.gz UCVQQSKQDOPEDA-AWEZNQCLSA-N 1 1 341.795 1.927 20 5 EDBDMO CC[N@H+]1CCO[C@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000072835837 138210690 /nfs/dbraw/zinc/21/06/90/138210690.db2.gz UCVQQSKQDOPEDA-AWEZNQCLSA-N 1 1 341.795 1.927 20 5 EDBDMO Cc1nc(Sc2nnnn2C[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000131979576 138368811 /nfs/dbraw/zinc/36/88/11/138368811.db2.gz PMFGVBFZNQSWCO-JTQLQIEISA-N 1 1 335.393 1.388 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173509249 138671041 /nfs/dbraw/zinc/67/10/41/138671041.db2.gz DMBSEVNZNXEHNH-AWEZNQCLSA-N 1 1 334.420 1.879 20 5 EDBDMO Cc1nn(C)c(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000110347720 220030705 /nfs/dbraw/zinc/03/07/05/220030705.db2.gz SKCJCGXABCJFDP-LBPRGKRZSA-N 1 1 345.403 1.887 20 5 EDBDMO C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000078510712 217066127 /nfs/dbraw/zinc/06/61/27/217066127.db2.gz UHDNKTIHSXYTBZ-NCRJZKAISA-N 1 1 333.388 1.833 20 5 EDBDMO O=C(CC[N@@H+]1CC[C@](O)(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000081084991 217360026 /nfs/dbraw/zinc/36/00/26/217360026.db2.gz XKFPMZSQJLKGEZ-CYBMUJFWSA-N 1 1 347.293 1.923 20 5 EDBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000247073602 139134328 /nfs/dbraw/zinc/13/43/28/139134328.db2.gz VCZJNQFQWCNDCU-CMPLNLGQSA-N 1 1 337.376 1.971 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000266204784 249346110 /nfs/dbraw/zinc/34/61/10/249346110.db2.gz WSPQMBQIJYLYRG-AWEZNQCLSA-N 1 1 337.424 1.823 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000248370141 139160874 /nfs/dbraw/zinc/16/08/74/139160874.db2.gz XCPQKHCUUCOBQV-JKSUJKDBSA-N 1 1 335.404 1.505 20 5 EDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000249290164 139190704 /nfs/dbraw/zinc/19/07/04/139190704.db2.gz KFTBTQRNMRHENO-JIMOISOXSA-N 1 1 334.332 1.133 20 5 EDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000249290164 139190705 /nfs/dbraw/zinc/19/07/05/139190705.db2.gz KFTBTQRNMRHENO-JIMOISOXSA-N 1 1 334.332 1.133 20 5 EDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000261636849 139213330 /nfs/dbraw/zinc/21/33/30/139213330.db2.gz BSSIGJBGUSKMJA-OAHLLOKOSA-N 1 1 343.387 1.434 20 5 EDBDMO O=C(NC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCC[NH2+]1 ZINC000262179451 139257835 /nfs/dbraw/zinc/25/78/35/139257835.db2.gz INAMCGZNTRQRCL-DOTOQJQBSA-N 1 1 346.431 1.675 20 5 EDBDMO O=[N+]([O-])c1cc(Br)ccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000371807438 285083278 /nfs/dbraw/zinc/08/32/78/285083278.db2.gz AUEJXQQCDAKCDH-LLVKDONJSA-N 1 1 342.193 1.878 20 5 EDBDMO O=[N+]([O-])c1cc(Br)ccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000371807438 285083281 /nfs/dbraw/zinc/08/32/81/285083281.db2.gz AUEJXQQCDAKCDH-LLVKDONJSA-N 1 1 342.193 1.878 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000112622878 220358511 /nfs/dbraw/zinc/35/85/11/220358511.db2.gz AZLKQDPEUOLYSX-CYBMUJFWSA-N 1 1 330.344 1.742 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000089952300 285189469 /nfs/dbraw/zinc/18/94/69/285189469.db2.gz WTGUKESJWIFHEI-OCCSQVGLSA-N 1 1 326.422 1.778 20 5 EDBDMO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000263649017 139349704 /nfs/dbraw/zinc/34/97/04/139349704.db2.gz CUPIUTPABZLHCA-ZDUSSCGKSA-N 1 1 344.293 1.868 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1F ZINC000154238445 224224314 /nfs/dbraw/zinc/22/43/14/224224314.db2.gz DJIXNAWNFBMFHO-UHFFFAOYSA-N 1 1 331.369 1.369 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CCC[N@H+](C)CC2)cc([N+](=O)[O-])c1F ZINC000154238445 224224316 /nfs/dbraw/zinc/22/43/16/224224316.db2.gz DJIXNAWNFBMFHO-UHFFFAOYSA-N 1 1 331.369 1.369 20 5 EDBDMO Cc1nn(C[NH+]2CCC3(COC(=O)N3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000495141568 255269976 /nfs/dbraw/zinc/26/99/76/255269976.db2.gz SQUKPSIHOCOPSM-UHFFFAOYSA-N 1 1 346.347 1.180 20 5 EDBDMO Cc1nn(CCC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000119352486 221301235 /nfs/dbraw/zinc/30/12/35/221301235.db2.gz QADIDHVJGLTRMW-GJZGRUSLSA-N 1 1 349.435 1.741 20 5 EDBDMO COc1c(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000416284126 304301438 /nfs/dbraw/zinc/30/14/38/304301438.db2.gz ABVBMPKHHPOBBN-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1c(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000416284126 304301439 /nfs/dbraw/zinc/30/14/39/304301439.db2.gz ABVBMPKHHPOBBN-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO COC(=O)c1cnc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488723514 292030222 /nfs/dbraw/zinc/03/02/22/292030222.db2.gz WPUYRSDVTSUYBD-YRGRVCCFSA-N 1 1 348.403 1.943 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000270597921 140131742 /nfs/dbraw/zinc/13/17/42/140131742.db2.gz ZEAGKAUQNOHLGX-GFCCVEGCSA-N 1 1 325.340 1.263 20 5 EDBDMO CN(C(=O)CN1CCN(C)c2[nH+]cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000270675439 140145640 /nfs/dbraw/zinc/14/56/40/140145640.db2.gz SNLOAZQZENHAMF-UHFFFAOYSA-N 1 1 341.371 1.909 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271739647 140342128 /nfs/dbraw/zinc/34/21/28/140342128.db2.gz VZCKXVMVXCMDSX-CYBMUJFWSA-N 1 1 338.408 1.923 20 5 EDBDMO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCNC1=O ZINC000340224717 142311256 /nfs/dbraw/zinc/31/12/56/142311256.db2.gz BHNDJSOANOFFTR-CYBMUJFWSA-N 1 1 330.344 1.613 20 5 EDBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCNC1=O ZINC000340224717 142311257 /nfs/dbraw/zinc/31/12/57/142311257.db2.gz BHNDJSOANOFFTR-CYBMUJFWSA-N 1 1 330.344 1.613 20 5 EDBDMO COc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000345384974 143084888 /nfs/dbraw/zinc/08/48/88/143084888.db2.gz AQXDFUNMQIPHHR-QWRGUYRKSA-N 1 1 343.405 1.364 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)n1 ZINC000346260970 143184537 /nfs/dbraw/zinc/18/45/37/143184537.db2.gz LOKFILMZMABHIF-JHJVBQTASA-N 1 1 335.408 1.614 20 5 EDBDMO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(Cn3ccc([N+](=O)[O-])n3)n1)OC2 ZINC000347320171 143308116 /nfs/dbraw/zinc/30/81/16/143308116.db2.gz MOANKBJNDOYQNN-YGRLFVJLSA-N 1 1 334.336 1.148 20 5 EDBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(Cn3ccc([N+](=O)[O-])n3)n1)OC2 ZINC000347320171 143308117 /nfs/dbraw/zinc/30/81/17/143308117.db2.gz MOANKBJNDOYQNN-YGRLFVJLSA-N 1 1 334.336 1.148 20 5 EDBDMO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000354886281 150010996 /nfs/dbraw/zinc/01/09/96/150010996.db2.gz AWIKLHDOVBSONL-COXVUDFISA-N 1 1 346.387 1.614 20 5 EDBDMO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000354886281 150010998 /nfs/dbraw/zinc/01/09/98/150010998.db2.gz AWIKLHDOVBSONL-COXVUDFISA-N 1 1 346.387 1.614 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000355343279 150225652 /nfs/dbraw/zinc/22/56/52/150225652.db2.gz ZCBQYBCAJZPYDJ-CABCVRRESA-N 1 1 337.351 1.669 20 5 EDBDMO COC[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000355739762 150381075 /nfs/dbraw/zinc/38/10/75/150381075.db2.gz TYROXYFBEYXVAE-CYBMUJFWSA-N 1 1 338.360 1.615 20 5 EDBDMO CC[N@@H+](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])CCC(F)(F)F ZINC000357656157 151103655 /nfs/dbraw/zinc/10/36/55/151103655.db2.gz CMAZFRMZJDWMFJ-UHFFFAOYSA-N 1 1 349.313 1.775 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCO)C1 ZINC000357837744 151167826 /nfs/dbraw/zinc/16/78/26/151167826.db2.gz KUXRYQSXVXYLEL-VXGBXAGGSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CCO)C1 ZINC000357837744 151167829 /nfs/dbraw/zinc/16/78/29/151167829.db2.gz KUXRYQSXVXYLEL-VXGBXAGGSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@@H]1[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CCC[N@H+]1C ZINC000357944209 151205395 /nfs/dbraw/zinc/20/53/95/151205395.db2.gz UQGUHAUXIYMGNR-DOMZBBRYSA-N 1 1 348.403 1.982 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000357951338 151207917 /nfs/dbraw/zinc/20/79/17/151207917.db2.gz LQDVOERZPCYOAG-UHFFFAOYSA-N 1 1 339.417 1.834 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000357951338 151207918 /nfs/dbraw/zinc/20/79/18/151207918.db2.gz LQDVOERZPCYOAG-UHFFFAOYSA-N 1 1 339.417 1.834 20 5 EDBDMO Cc1c(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000358382601 151356831 /nfs/dbraw/zinc/35/68/31/151356831.db2.gz JFPFTQFVKAGVKO-UHFFFAOYSA-N 1 1 346.387 1.610 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000370082655 155317210 /nfs/dbraw/zinc/31/72/10/155317210.db2.gz OLYBZEXIWGZECQ-DOMZBBRYSA-N 1 1 348.403 1.568 20 5 EDBDMO CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000360747159 152183231 /nfs/dbraw/zinc/18/32/31/152183231.db2.gz RNZCJRZMQZBYAA-AWEZNQCLSA-N 1 1 343.387 1.675 20 5 EDBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)C1 ZINC000370154575 155351567 /nfs/dbraw/zinc/35/15/67/155351567.db2.gz ACMVTFDLMYGWDS-CYBMUJFWSA-N 1 1 347.419 1.029 20 5 EDBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000370213951 155380393 /nfs/dbraw/zinc/38/03/93/155380393.db2.gz CXADKBGFRBDMLV-INIZCTEOSA-N 1 1 329.404 1.998 20 5 EDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000364932798 153375468 /nfs/dbraw/zinc/37/54/68/153375468.db2.gz JVMSGXVPFDRETI-PSKZRQQASA-N 1 1 333.388 1.523 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000354488230 292294049 /nfs/dbraw/zinc/29/40/49/292294049.db2.gz GQRJKQQYKSMULN-GFCCVEGCSA-N 1 1 327.406 1.618 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000354488230 292294050 /nfs/dbraw/zinc/29/40/50/292294050.db2.gz GQRJKQQYKSMULN-GFCCVEGCSA-N 1 1 327.406 1.618 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000367803705 154277124 /nfs/dbraw/zinc/27/71/24/154277124.db2.gz NGJCUVKCYBCCPS-GFCCVEGCSA-N 1 1 335.360 1.211 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000367803705 154277127 /nfs/dbraw/zinc/27/71/27/154277127.db2.gz NGJCUVKCYBCCPS-GFCCVEGCSA-N 1 1 335.360 1.211 20 5 EDBDMO COc1cc(C[N@@H+]2CCC[C@@H]2Cn2cncn2)c([N+](=O)[O-])cc1OC ZINC000369390010 155009582 /nfs/dbraw/zinc/00/95/82/155009582.db2.gz VRGJGMCCKMUXJP-CYBMUJFWSA-N 1 1 347.375 1.868 20 5 EDBDMO COc1cc(C[N@H+]2CCC[C@@H]2Cn2cncn2)c([N+](=O)[O-])cc1OC ZINC000369390010 155009587 /nfs/dbraw/zinc/00/95/87/155009587.db2.gz VRGJGMCCKMUXJP-CYBMUJFWSA-N 1 1 347.375 1.868 20 5 EDBDMO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000369549642 155081930 /nfs/dbraw/zinc/08/19/30/155081930.db2.gz IZISZXONZMPVSV-RDJZCZTQSA-N 1 1 336.388 1.898 20 5 EDBDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000369549642 155081935 /nfs/dbraw/zinc/08/19/35/155081935.db2.gz IZISZXONZMPVSV-RDJZCZTQSA-N 1 1 336.388 1.898 20 5 EDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000372720323 156501949 /nfs/dbraw/zinc/50/19/49/156501949.db2.gz AVLJOHDAOQWNDO-HOTGVXAUSA-N 1 1 348.403 1.550 20 5 EDBDMO CNC(=O)c1ccc(N2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000374348714 157254764 /nfs/dbraw/zinc/25/47/64/157254764.db2.gz GSMSAGTXSYRVKJ-LBPRGKRZSA-N 1 1 329.360 1.682 20 5 EDBDMO Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000374610078 157344254 /nfs/dbraw/zinc/34/42/54/157344254.db2.gz GHOWZLVHEJMSAS-RDJZCZTQSA-N 1 1 330.388 1.950 20 5 EDBDMO CC[N@@H+](C[C@H](C)O)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000352231103 162062943 /nfs/dbraw/zinc/06/29/43/162062943.db2.gz OXSVZWHDVDYFCL-QWRGUYRKSA-N 1 1 325.365 1.633 20 5 EDBDMO CC(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000067419444 287245669 /nfs/dbraw/zinc/24/56/69/287245669.db2.gz ASRSKTXUNCJJGD-AWEZNQCLSA-N 1 1 348.403 1.772 20 5 EDBDMO C[C@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[NH+]1CCSCC1 ZINC000119568033 287353800 /nfs/dbraw/zinc/35/38/00/287353800.db2.gz VSLWDRHJDIFGTM-GFCCVEGCSA-N 1 1 335.429 1.917 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000122585852 222118648 /nfs/dbraw/zinc/11/86/48/222118648.db2.gz IYRSXQMESQFOQE-CQSZACIVSA-N 1 1 343.387 1.723 20 5 EDBDMO O=[N+]([O-])c1cnc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)nc1 ZINC000273719494 268077151 /nfs/dbraw/zinc/07/71/51/268077151.db2.gz GLNRCZBEIHLQJH-GOEBONIOSA-N 1 1 343.387 1.680 20 5 EDBDMO Cc1c(NC(=O)CC[NH2+][C@H](C)c2nncn2C)cccc1[N+](=O)[O-] ZINC000274006013 268095713 /nfs/dbraw/zinc/09/57/13/268095713.db2.gz LFYJPKPPKLOCOV-LLVKDONJSA-N 1 1 332.364 1.711 20 5 EDBDMO CC[C@@H](C(N)=O)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000273998568 273065523 /nfs/dbraw/zinc/06/55/23/273065523.db2.gz JMWCUFGOUUFYFX-AWEZNQCLSA-N 1 1 346.391 1.247 20 5 EDBDMO C[C@H](CO)[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000280576051 273373040 /nfs/dbraw/zinc/37/30/40/273373040.db2.gz SKQMTRWHVOGHSB-CJNGLKHVSA-N 1 1 338.404 1.817 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2C1 ZINC000284462726 274210993 /nfs/dbraw/zinc/21/09/93/274210993.db2.gz AOHMWNSZYQUFME-CVEARBPZSA-N 1 1 349.387 1.366 20 5 EDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000284593901 274257149 /nfs/dbraw/zinc/25/71/49/274257149.db2.gz AGRRHMJLUJIEFM-MRXNPFEDSA-N 1 1 337.376 1.194 20 5 EDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000284593901 274257151 /nfs/dbraw/zinc/25/71/51/274257151.db2.gz AGRRHMJLUJIEFM-MRXNPFEDSA-N 1 1 337.376 1.194 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272566215 277175568 /nfs/dbraw/zinc/17/55/68/277175568.db2.gz FINFSJNNEFFXDI-IINYFYTJSA-N 1 1 334.332 1.669 20 5 EDBDMO CCOC1CC([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000287008864 288136361 /nfs/dbraw/zinc/13/63/61/288136361.db2.gz QOBBHTDAZWNJPZ-UHFFFAOYSA-N 1 1 333.388 1.983 20 5 EDBDMO CCOC1CC([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000287008864 288136362 /nfs/dbraw/zinc/13/63/62/288136362.db2.gz QOBBHTDAZWNJPZ-UHFFFAOYSA-N 1 1 333.388 1.983 20 5 EDBDMO Cc1cccc(N2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1[N+](=O)[O-] ZINC000420243103 281225980 /nfs/dbraw/zinc/22/59/80/281225980.db2.gz OQALXPISFVPSAF-UHFFFAOYSA-N 1 1 342.403 1.982 20 5 EDBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000291485720 289082163 /nfs/dbraw/zinc/08/21/63/289082163.db2.gz QOTJBDUGWDFEFD-GKXYRXCGSA-N 1 1 345.399 1.930 20 5 EDBDMO CC(C)([NH2+]CC(=O)NCC(=O)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000292090029 289258524 /nfs/dbraw/zinc/25/85/24/289258524.db2.gz GSRUUDQYSOJJDT-UHFFFAOYSA-N 1 1 348.403 1.158 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000292110038 289263593 /nfs/dbraw/zinc/26/35/93/289263593.db2.gz IXRKXVGVRPVWLG-GOSISDBHSA-N 1 1 344.415 1.512 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272955302 293651151 /nfs/dbraw/zinc/65/11/51/293651151.db2.gz GROJWDYNNDCTAR-HNNXBMFYSA-N 1 1 343.343 1.409 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000294964447 303157666 /nfs/dbraw/zinc/15/76/66/303157666.db2.gz LGBWNFXKRRMBQD-LLVKDONJSA-N 1 1 333.392 1.753 20 5 EDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000295239380 303192709 /nfs/dbraw/zinc/19/27/09/303192709.db2.gz OVYHFOYXXOOGJY-INIZCTEOSA-N 1 1 347.350 1.554 20 5 EDBDMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000296284965 303307686 /nfs/dbraw/zinc/30/76/86/303307686.db2.gz UQIQOKORWXKWLN-CYBMUJFWSA-N 1 1 348.403 1.784 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000298047648 303492681 /nfs/dbraw/zinc/49/26/81/303492681.db2.gz HMXVPHSGSWCJFU-UHFFFAOYSA-N 1 1 346.387 1.538 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000430733105 305063579 /nfs/dbraw/zinc/06/35/79/305063579.db2.gz IGNOHDBEVBDNMQ-LLVKDONJSA-N 1 1 344.375 1.491 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000442286938 305228123 /nfs/dbraw/zinc/22/81/23/305228123.db2.gz WDXDQKOWWFYRDL-NEPJUHHUSA-N 1 1 334.376 1.393 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000442286938 305228124 /nfs/dbraw/zinc/22/81/24/305228124.db2.gz WDXDQKOWWFYRDL-NEPJUHHUSA-N 1 1 334.376 1.393 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000451636133 305358049 /nfs/dbraw/zinc/35/80/49/305358049.db2.gz VSDGKCHNGCNDRU-CJNGLKHVSA-N 1 1 332.404 1.868 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC000451636133 305358050 /nfs/dbraw/zinc/35/80/50/305358050.db2.gz VSDGKCHNGCNDRU-CJNGLKHVSA-N 1 1 332.404 1.868 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC000451636133 305358051 /nfs/dbraw/zinc/35/80/51/305358051.db2.gz VSDGKCHNGCNDRU-CJNGLKHVSA-N 1 1 332.404 1.868 20 5 EDBDMO Cn1cc[nH+]c1[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000535316017 306012895 /nfs/dbraw/zinc/01/28/95/306012895.db2.gz RRAUGAKFBVXUKX-LBPRGKRZSA-N 1 1 329.360 1.756 20 5 EDBDMO COc1ccc(CC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000543754768 306069329 /nfs/dbraw/zinc/06/93/29/306069329.db2.gz GSEUWMRZEGBWJG-GFCCVEGCSA-N 1 1 333.388 1.913 20 5 EDBDMO C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554876338 306198927 /nfs/dbraw/zinc/19/89/27/306198927.db2.gz GSOILSVHXBPPCF-OCCSQVGLSA-N 1 1 343.387 1.958 20 5 EDBDMO CCOC(=O)c1cc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000057721165 441131067 /nfs/dbraw/zinc/13/10/67/441131067.db2.gz DELJFNLALHXSIH-NSHDSACASA-N 1 1 349.387 1.984 20 5 EDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000080448320 441171072 /nfs/dbraw/zinc/17/10/72/441171072.db2.gz JPUHYBHCMQRVSB-CQSZACIVSA-N 1 1 335.429 1.787 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c1C ZINC000104748527 441203937 /nfs/dbraw/zinc/20/39/37/441203937.db2.gz LLAFUMOGCUAADP-ZDUSSCGKSA-N 1 1 341.433 1.784 20 5 EDBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000053016713 441493249 /nfs/dbraw/zinc/49/32/49/441493249.db2.gz JTCWAHNCKQTXKY-UHFFFAOYSA-N 1 1 345.403 1.948 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000108406638 441452938 /nfs/dbraw/zinc/45/29/38/441452938.db2.gz HUXAJARFKFAKOS-ZDUSSCGKSA-N 1 1 327.406 1.356 20 5 EDBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108543854 441463200 /nfs/dbraw/zinc/46/32/00/441463200.db2.gz WNKPORDGTVRREG-CQSZACIVSA-N 1 1 347.419 1.790 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCn1cccn1 ZINC000111281180 441531061 /nfs/dbraw/zinc/53/10/61/441531061.db2.gz ARFLRNRGMXUJDP-UHFFFAOYSA-N 1 1 347.375 1.761 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000075889401 441563465 /nfs/dbraw/zinc/56/34/65/441563465.db2.gz KZWYKCNBSAUAAW-MRXNPFEDSA-N 1 1 335.404 1.770 20 5 EDBDMO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000089933666 441599061 /nfs/dbraw/zinc/59/90/61/441599061.db2.gz KSPMJVQEPSECRM-JSGCOSHPSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000089933666 441599066 /nfs/dbraw/zinc/59/90/66/441599066.db2.gz KSPMJVQEPSECRM-JSGCOSHPSA-N 1 1 333.388 1.577 20 5 EDBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067190804 441616170 /nfs/dbraw/zinc/61/61/70/441616170.db2.gz NTFYGUFCVXXOKE-LLVKDONJSA-N 1 1 347.371 1.580 20 5 EDBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173411149 441739710 /nfs/dbraw/zinc/73/97/10/441739710.db2.gz ZIXXPIYIVOWYPA-NSHDSACASA-N 1 1 331.369 1.449 20 5 EDBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173411149 441739715 /nfs/dbraw/zinc/73/97/15/441739715.db2.gz ZIXXPIYIVOWYPA-NSHDSACASA-N 1 1 331.369 1.449 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000115586298 441761916 /nfs/dbraw/zinc/76/19/16/441761916.db2.gz QENSFRIYAKZJLJ-CYBMUJFWSA-N 1 1 341.433 1.866 20 5 EDBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000069109652 441891722 /nfs/dbraw/zinc/89/17/22/441891722.db2.gz NRXDFXKAAYIHML-HZPDHXFCSA-N 1 1 348.403 1.900 20 5 EDBDMO C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000174867408 441976813 /nfs/dbraw/zinc/97/68/13/441976813.db2.gz ORTYYMQXTLJZHN-KBPBESRZSA-N 1 1 347.419 1.877 20 5 EDBDMO C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000174867408 441976817 /nfs/dbraw/zinc/97/68/17/441976817.db2.gz ORTYYMQXTLJZHN-KBPBESRZSA-N 1 1 347.419 1.877 20 5 EDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120148260 442016273 /nfs/dbraw/zinc/01/62/73/442016273.db2.gz CETFGQPTFWACOZ-YUELXQCFSA-N 1 1 333.388 1.939 20 5 EDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000175360994 442048924 /nfs/dbraw/zinc/04/89/24/442048924.db2.gz AHWSNOZLZQYHES-UHFFFAOYSA-N 1 1 345.421 1.614 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000175390243 442053748 /nfs/dbraw/zinc/05/37/48/442053748.db2.gz IOGNGXXBZIOTTL-CYBMUJFWSA-N 1 1 327.406 1.700 20 5 EDBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)C[S@](C)=O)c([N+](=O)[O-])c1 ZINC000126328502 442101016 /nfs/dbraw/zinc/10/10/16/442101016.db2.gz GCFPBHVZHHBYSB-RKFFSXRUSA-N 1 1 330.406 1.681 20 5 EDBDMO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000097152513 442176274 /nfs/dbraw/zinc/17/62/74/442176274.db2.gz NRWVLTSHGARUNR-UHFFFAOYSA-N 1 1 348.384 1.133 20 5 EDBDMO O=C(NCC[N@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000097152513 442176278 /nfs/dbraw/zinc/17/62/78/442176278.db2.gz NRWVLTSHGARUNR-UHFFFAOYSA-N 1 1 348.384 1.133 20 5 EDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000127271692 442188303 /nfs/dbraw/zinc/18/83/03/442188303.db2.gz ZSZWMNFOSAWZSY-PHIMTYICSA-N 1 1 348.359 1.054 20 5 EDBDMO C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000121274926 442198688 /nfs/dbraw/zinc/19/86/88/442198688.db2.gz FHLDGHXQXFMULV-IUODEOHRSA-N 1 1 336.392 1.156 20 5 EDBDMO C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000121274926 442198690 /nfs/dbraw/zinc/19/86/90/442198690.db2.gz FHLDGHXQXFMULV-IUODEOHRSA-N 1 1 336.392 1.156 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000153237650 442269673 /nfs/dbraw/zinc/26/96/73/442269673.db2.gz HYOAKNYYMFKDRS-VXGBXAGGSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000153237650 442269677 /nfs/dbraw/zinc/26/96/77/442269677.db2.gz HYOAKNYYMFKDRS-VXGBXAGGSA-N 1 1 337.376 1.777 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)n1 ZINC000191647079 442482380 /nfs/dbraw/zinc/48/23/80/442482380.db2.gz JOBGEJALDXEOOQ-UHFFFAOYSA-N 1 1 335.408 1.902 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000192146656 442602658 /nfs/dbraw/zinc/60/26/58/442602658.db2.gz CDNPTDAEIHTOSQ-UHFFFAOYSA-N 1 1 339.417 1.680 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000186956790 442636207 /nfs/dbraw/zinc/63/62/07/442636207.db2.gz APEDWULJCZVFRY-ZIAGYGMSSA-N 1 1 335.404 1.441 20 5 EDBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCO ZINC000187131548 442654572 /nfs/dbraw/zinc/65/45/72/442654572.db2.gz QAJYBIKEOZMPIG-SNVBAGLBSA-N 1 1 342.783 1.779 20 5 EDBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCO ZINC000187131548 442654574 /nfs/dbraw/zinc/65/45/74/442654574.db2.gz QAJYBIKEOZMPIG-SNVBAGLBSA-N 1 1 342.783 1.779 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192661800 442673993 /nfs/dbraw/zinc/67/39/93/442673993.db2.gz GWPXDSWTZVEYJT-BDJLRTHQSA-N 1 1 332.360 1.638 20 5 EDBDMO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1CCO ZINC000187711575 442687968 /nfs/dbraw/zinc/68/79/68/442687968.db2.gz MUTVTFGOVGCKQD-GFCCVEGCSA-N 1 1 347.375 1.143 20 5 EDBDMO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@H+]1CCO ZINC000187711575 442687969 /nfs/dbraw/zinc/68/79/69/442687969.db2.gz MUTVTFGOVGCKQD-GFCCVEGCSA-N 1 1 347.375 1.143 20 5 EDBDMO Cc1c(C(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000181357161 442692087 /nfs/dbraw/zinc/69/20/87/442692087.db2.gz IRDXAIOCKBPJPN-HNNXBMFYSA-N 1 1 329.360 1.423 20 5 EDBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000181406241 442695472 /nfs/dbraw/zinc/69/54/72/442695472.db2.gz IEHIKKKGBIBDSY-CQSZACIVSA-N 1 1 349.778 1.768 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181418082 442696018 /nfs/dbraw/zinc/69/60/18/442696018.db2.gz CXNSESHVSKTHMY-OAHLLOKOSA-N 1 1 329.360 1.423 20 5 EDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000188227734 442726528 /nfs/dbraw/zinc/72/65/28/442726528.db2.gz CSDVDVFPRIOSCJ-QWHCGFSZSA-N 1 1 341.433 1.994 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000182075460 442733931 /nfs/dbraw/zinc/73/39/31/442733931.db2.gz HWQAAWBGHKFWDK-ZDUSSCGKSA-N 1 1 345.403 1.736 20 5 EDBDMO CC(C)(O)[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182225104 442747556 /nfs/dbraw/zinc/74/75/56/442747556.db2.gz SKCOFGXQFLDVCZ-AWEZNQCLSA-N 1 1 342.417 1.604 20 5 EDBDMO CC(C)(O)[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182225104 442747558 /nfs/dbraw/zinc/74/75/58/442747558.db2.gz SKCOFGXQFLDVCZ-AWEZNQCLSA-N 1 1 342.417 1.604 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000193667541 442765675 /nfs/dbraw/zinc/76/56/75/442765675.db2.gz GOZAOYZLQJLZBM-GFCCVEGCSA-N 1 1 348.403 1.624 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268080544 442839362 /nfs/dbraw/zinc/83/93/62/442839362.db2.gz CYVYKJFSKQJCKF-UHFFFAOYSA-N 1 1 344.799 1.626 20 5 EDBDMO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000265605343 442842869 /nfs/dbraw/zinc/84/28/69/442842869.db2.gz SWLHXMWIJFDLPP-LLVKDONJSA-N 1 1 338.364 1.299 20 5 EDBDMO O=C1[C@@H](N2CC[N@H+]3CCCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000248369439 442887910 /nfs/dbraw/zinc/88/79/10/442887910.db2.gz WGTRCVXMDYQEJQ-IRXDYDNUSA-N 1 1 344.415 1.870 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194746028 442948806 /nfs/dbraw/zinc/94/88/06/442948806.db2.gz CILAEAUMXFSQEX-AWEZNQCLSA-N 1 1 343.387 1.580 20 5 EDBDMO C[C@H](C(=O)NCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184724040 318537540 /nfs/dbraw/zinc/53/75/40/318537540.db2.gz MWRDZWDRVQJBQF-LBPRGKRZSA-N 1 1 339.367 1.676 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000194670623 442935186 /nfs/dbraw/zinc/93/51/86/442935186.db2.gz MOTXMLUHWNGAEA-UHFFFAOYSA-N 1 1 348.403 1.983 20 5 EDBDMO COc1cc(CNCC2(O)CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000265872517 442952933 /nfs/dbraw/zinc/95/29/33/442952933.db2.gz MOFVKDPRTCRQPN-UHFFFAOYSA-N 1 1 339.392 1.158 20 5 EDBDMO C[C@@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000254999467 443080291 /nfs/dbraw/zinc/08/02/91/443080291.db2.gz NXNUJJUBUIFMRM-LZNQSLFOSA-N 1 1 346.431 1.608 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000185233642 443166484 /nfs/dbraw/zinc/16/64/84/443166484.db2.gz NRMZQKLIUORJEQ-UHFFFAOYSA-N 1 1 331.369 1.449 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000263697727 443236123 /nfs/dbraw/zinc/23/61/23/443236123.db2.gz ATTIHNZYPQSUJR-UHFFFAOYSA-N 1 1 327.406 1.625 20 5 EDBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000191098060 443240979 /nfs/dbraw/zinc/24/09/79/443240979.db2.gz DSNJXLLLPPGGFA-UHFFFAOYSA-N 1 1 345.808 1.717 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358503699 319112796 /nfs/dbraw/zinc/11/27/96/319112796.db2.gz FFRSNDIVIIXDQO-CYBMUJFWSA-N 1 1 332.404 1.997 20 5 EDBDMO CC[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000412872682 319246133 /nfs/dbraw/zinc/24/61/33/319246133.db2.gz HJYLAISTGNTNNF-CYBMUJFWSA-N 1 1 348.403 1.255 20 5 EDBDMO Cc1cc([N+](=O)[O-])cnc1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000413405802 319267858 /nfs/dbraw/zinc/26/78/58/319267858.db2.gz QAVCLTHAWPZYCA-UHFFFAOYSA-N 1 1 336.392 1.592 20 5 EDBDMO CCN1CC[NH+]([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3COC)C2)CC1 ZINC000266968654 443305963 /nfs/dbraw/zinc/30/59/63/443305963.db2.gz KNWPGBICJSIMLI-QGZVFWFLSA-N 1 1 348.447 1.957 20 5 EDBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000278692905 443404294 /nfs/dbraw/zinc/40/42/94/443404294.db2.gz PHWXHSJCBKIPBO-UHFFFAOYSA-N 1 1 331.332 1.705 20 5 EDBDMO C[C@H]([C@H](C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000264945419 443486467 /nfs/dbraw/zinc/48/64/67/443486467.db2.gz JJVWDIKZCPDFJR-NWDGAFQWSA-N 1 1 330.406 1.727 20 5 EDBDMO C[C@H]([C@H](C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000264945419 443486469 /nfs/dbraw/zinc/48/64/69/443486469.db2.gz JJVWDIKZCPDFJR-NWDGAFQWSA-N 1 1 330.406 1.727 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000267527965 443486944 /nfs/dbraw/zinc/48/69/44/443486944.db2.gz OYAHCXAKOABPIT-GFCCVEGCSA-N 1 1 342.421 1.529 20 5 EDBDMO C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000272802803 443451814 /nfs/dbraw/zinc/45/18/14/443451814.db2.gz FCWODDXKMOYOQS-MRVPVSSYSA-N 1 1 333.435 1.954 20 5 EDBDMO C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000272802803 443451817 /nfs/dbraw/zinc/45/18/17/443451817.db2.gz FCWODDXKMOYOQS-MRVPVSSYSA-N 1 1 333.435 1.954 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@H]2C1 ZINC000278874420 443469435 /nfs/dbraw/zinc/46/94/35/443469435.db2.gz ZQBPIUIXSWRTAI-DTORHVGOSA-N 1 1 327.182 1.750 20 5 EDBDMO O=C1CC2(CN1)CC[NH+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000267693352 443542981 /nfs/dbraw/zinc/54/29/81/443542981.db2.gz SJXARUNDIBBYHG-UHFFFAOYSA-N 1 1 330.344 1.838 20 5 EDBDMO C[C@@H]([NH3+])CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440342669 320072579 /nfs/dbraw/zinc/07/25/79/320072579.db2.gz RZHXCJVFTHSAOW-ZCFIWIBFSA-N 1 1 342.204 1.917 20 5 EDBDMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000444367455 320128117 /nfs/dbraw/zinc/12/81/17/320128117.db2.gz QYIDWKQUQIYJSQ-LLVKDONJSA-N 1 1 339.367 1.651 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287620223 443751696 /nfs/dbraw/zinc/75/16/96/443751696.db2.gz FFNLFBXMEPVKLY-INIZCTEOSA-N 1 1 344.371 1.443 20 5 EDBDMO CC[C@@H](CO)[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298425868 443767045 /nfs/dbraw/zinc/76/70/45/443767045.db2.gz PWXDREFIVJNKPE-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO O=c1[nH]c(N2CC[N@H+]3CCCC[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000280940485 443779779 /nfs/dbraw/zinc/77/97/79/443779779.db2.gz IKTCOMGKHXXSRX-LBPRGKRZSA-N 1 1 329.360 1.918 20 5 EDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285070298 443844858 /nfs/dbraw/zinc/84/48/58/443844858.db2.gz CNVAKXKJGORSIU-KGLIPLIRSA-N 1 1 349.387 1.539 20 5 EDBDMO COC(=O)[C@H](C)C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298759745 443861019 /nfs/dbraw/zinc/86/10/19/443861019.db2.gz ZLBCCHMDDBJASN-YPMHNXCESA-N 1 1 326.349 1.075 20 5 EDBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299047902 443937722 /nfs/dbraw/zinc/93/77/22/443937722.db2.gz GIBWLFBMTWPSOB-NEPJUHHUSA-N 1 1 343.380 1.639 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000298965839 443915589 /nfs/dbraw/zinc/91/55/89/443915589.db2.gz FPVFJBFCZYSLJG-KGLIPLIRSA-N 1 1 334.332 1.860 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285429806 443980892 /nfs/dbraw/zinc/98/08/92/443980892.db2.gz ZTVNHHDHWVPBAF-CVEARBPZSA-N 1 1 348.403 1.206 20 5 EDBDMO CC[N@H+](CCOCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000281965208 444050206 /nfs/dbraw/zinc/05/02/06/444050206.db2.gz GKSOULWTLHCZFN-UHFFFAOYSA-N 1 1 325.365 1.173 20 5 EDBDMO CC[N@@H+](CCOCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000281965208 444050211 /nfs/dbraw/zinc/05/02/11/444050211.db2.gz GKSOULWTLHCZFN-UHFFFAOYSA-N 1 1 325.365 1.173 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[NH+](C4CC4)CC3)o2)cc1 ZINC000299311612 444013697 /nfs/dbraw/zinc/01/36/97/444013697.db2.gz DZUHBURRKHICCR-UHFFFAOYSA-N 1 1 329.360 1.925 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000299346732 444024403 /nfs/dbraw/zinc/02/44/03/444024403.db2.gz VHPLOKAIUKHSNA-XQQFMLRXSA-N 1 1 336.392 1.637 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000299346732 444024408 /nfs/dbraw/zinc/02/44/08/444024408.db2.gz VHPLOKAIUKHSNA-XQQFMLRXSA-N 1 1 336.392 1.637 20 5 EDBDMO CNc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000565994299 321208918 /nfs/dbraw/zinc/20/89/18/321208918.db2.gz NSCRNJMGILWSNZ-TXEJJXNPSA-N 1 1 336.392 1.164 20 5 EDBDMO CNc1ccc(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000565994299 321208919 /nfs/dbraw/zinc/20/89/19/321208919.db2.gz NSCRNJMGILWSNZ-TXEJJXNPSA-N 1 1 336.392 1.164 20 5 EDBDMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000278355841 444144815 /nfs/dbraw/zinc/14/48/15/444144815.db2.gz DROQEEKNZGGHQQ-NSHDSACASA-N 1 1 339.417 1.982 20 5 EDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000278355841 444144820 /nfs/dbraw/zinc/14/48/20/444144820.db2.gz DROQEEKNZGGHQQ-NSHDSACASA-N 1 1 339.417 1.982 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000289462567 444150761 /nfs/dbraw/zinc/15/07/61/444150761.db2.gz GQXMKLCFIWDFBU-GFCCVEGCSA-N 1 1 329.422 1.743 20 5 EDBDMO CCc1nn(C)c(N2CCN(c3cc(C)cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000301943112 444197237 /nfs/dbraw/zinc/19/72/37/444197237.db2.gz XZAPKPJLAWWULX-UHFFFAOYSA-N 1 1 330.392 1.921 20 5 EDBDMO Cc1c(C(=O)N(C)CCC[N@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000290231736 444257031 /nfs/dbraw/zinc/25/70/31/444257031.db2.gz VXXPFPXUAQFNQN-UHFFFAOYSA-N 1 1 336.436 1.859 20 5 EDBDMO Cc1c(C(=O)N(C)CCCN(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000290231736 444257034 /nfs/dbraw/zinc/25/70/34/444257034.db2.gz VXXPFPXUAQFNQN-UHFFFAOYSA-N 1 1 336.436 1.859 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000296963694 444265584 /nfs/dbraw/zinc/26/55/84/444265584.db2.gz CTYLJGCCONJJCG-CYBMUJFWSA-N 1 1 332.364 1.223 20 5 EDBDMO C[C@H](O)[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000305660325 444271747 /nfs/dbraw/zinc/27/17/47/444271747.db2.gz RDJTWEGZXINLIV-ZENOOKHLSA-N 1 1 333.388 1.793 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000296459877 444231991 /nfs/dbraw/zinc/23/19/91/444231991.db2.gz JGBMLMRZVHMANE-LLVKDONJSA-N 1 1 328.394 1.138 20 5 EDBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[N@H+]1C1CC1 ZINC000290732565 444316636 /nfs/dbraw/zinc/31/66/36/444316636.db2.gz GBZKWTYCWJNZAR-UWVGGRQHSA-N 1 1 340.405 1.279 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000290792191 444323689 /nfs/dbraw/zinc/32/36/89/444323689.db2.gz XOXJWGGEAQJASN-SNVBAGLBSA-N 1 1 330.410 1.383 20 5 EDBDMO CC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000312716613 444294885 /nfs/dbraw/zinc/29/48/85/444294885.db2.gz HZPDCZKLFSWVPQ-VIFPVBQESA-N 1 1 348.197 1.140 20 5 EDBDMO CC(C)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@H](C)O ZINC000340807799 444518468 /nfs/dbraw/zinc/51/84/68/444518468.db2.gz MWUCTDFBDXXNMK-JTQLQIEISA-N 1 1 339.348 1.353 20 5 EDBDMO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[NH2+]CC1(F)F ZINC000343859052 444631983 /nfs/dbraw/zinc/63/19/83/444631983.db2.gz FCUUPWDIDDXZBZ-VIFPVBQESA-N 1 1 325.275 1.654 20 5 EDBDMO CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O ZINC000338326139 444634046 /nfs/dbraw/zinc/63/40/46/444634046.db2.gz KWQZCDVFEYANAB-ZDUSSCGKSA-N 1 1 335.360 1.443 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[N@@H+](C)C1 ZINC000343869812 444637663 /nfs/dbraw/zinc/63/76/63/444637663.db2.gz CEAGBTFMAURSKK-NWDGAFQWSA-N 1 1 347.375 1.399 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1C[C@H](OC)C[N@@H+]1C ZINC000344500477 445015228 /nfs/dbraw/zinc/01/52/28/445015228.db2.gz SRMZVCBDMIBMNJ-OLZOCXBDSA-N 1 1 337.376 1.395 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330830428 445157630 /nfs/dbraw/zinc/15/76/30/445157630.db2.gz JPTJPCANVCQAGP-WCQYABFASA-N 1 1 327.406 1.717 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330830428 445157635 /nfs/dbraw/zinc/15/76/35/445157635.db2.gz JPTJPCANVCQAGP-WCQYABFASA-N 1 1 327.406 1.717 20 5 EDBDMO Cc1c(CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000342073685 445157953 /nfs/dbraw/zinc/15/79/53/445157953.db2.gz JNLPYARWZJPEQP-LLVKDONJSA-N 1 1 348.403 1.118 20 5 EDBDMO C[C@@H]1[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCC[N@H+]1C ZINC000343418184 445218784 /nfs/dbraw/zinc/21/87/84/445218784.db2.gz BJEUFJLACZFMCT-DOMZBBRYSA-N 1 1 343.387 1.993 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000343504414 445235190 /nfs/dbraw/zinc/23/51/90/445235190.db2.gz IFEMPFZRIFTNQP-ABAIWWIYSA-N 1 1 349.387 1.984 20 5 EDBDMO C[C@]1(O)CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000348379347 445271030 /nfs/dbraw/zinc/27/10/30/445271030.db2.gz UPXLVESEJWNYBA-WBVHZDCISA-N 1 1 333.388 1.937 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351737098 445299167 /nfs/dbraw/zinc/29/91/67/445299167.db2.gz NVPDOIDMBLTDBF-NSHDSACASA-N 1 1 325.344 1.101 20 5 EDBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2[nH+]ccn21 ZINC000351791242 445323406 /nfs/dbraw/zinc/32/34/06/445323406.db2.gz LQFKTRKGJHXENE-AWEZNQCLSA-N 1 1 329.360 1.897 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@]1(CO)CCOC1 ZINC000359832668 445451540 /nfs/dbraw/zinc/45/15/40/445451540.db2.gz LVMAUSOTCYFMPQ-MRXNPFEDSA-N 1 1 337.376 1.315 20 5 EDBDMO NC(=O)c1cc([C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000360013466 445528166 /nfs/dbraw/zinc/52/81/66/445528166.db2.gz APGRLQHRGVDCEL-SNVBAGLBSA-N 1 1 347.350 1.936 20 5 EDBDMO NC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000360013466 445528168 /nfs/dbraw/zinc/52/81/68/445528168.db2.gz APGRLQHRGVDCEL-SNVBAGLBSA-N 1 1 347.350 1.936 20 5 EDBDMO CC[N@@H+](CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000357764798 445581454 /nfs/dbraw/zinc/58/14/54/445581454.db2.gz RFHUKEYHDVTVAF-UHFFFAOYSA-N 1 1 348.403 1.983 20 5 EDBDMO CC(C)[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000362893697 445600010 /nfs/dbraw/zinc/60/00/10/445600010.db2.gz TUPFIPHHTZTXSM-OAHLLOKOSA-N 1 1 341.433 1.697 20 5 EDBDMO CC(C)[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000362893697 445600011 /nfs/dbraw/zinc/60/00/11/445600011.db2.gz TUPFIPHHTZTXSM-OAHLLOKOSA-N 1 1 341.433 1.697 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000360258160 445661884 /nfs/dbraw/zinc/66/18/84/445661884.db2.gz OEFUBOQHBSUCEP-CHWSQXEVSA-N 1 1 341.433 1.973 20 5 EDBDMO Nc1c(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000363117515 445685207 /nfs/dbraw/zinc/68/52/07/445685207.db2.gz HYZWKVDSRWPRHN-BPNCWPANSA-N 1 1 348.378 1.872 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CCNC(=O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000363149653 445697237 /nfs/dbraw/zinc/69/72/37/445697237.db2.gz DLTIXLCBTLJWFO-LLVKDONJSA-N 1 1 334.376 1.442 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)C1 ZINC000363218032 445726927 /nfs/dbraw/zinc/72/69/27/445726927.db2.gz DYXNDJWZBRBVFE-AWEZNQCLSA-N 1 1 347.419 1.029 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000353753691 445739916 /nfs/dbraw/zinc/73/99/16/445739916.db2.gz XOSGABIGGXJTJD-ZDUSSCGKSA-N 1 1 336.344 1.989 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000353753691 445739920 /nfs/dbraw/zinc/73/99/20/445739920.db2.gz XOSGABIGGXJTJD-ZDUSSCGKSA-N 1 1 336.344 1.989 20 5 EDBDMO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000361568126 445824217 /nfs/dbraw/zinc/82/42/17/445824217.db2.gz XARXYCFKYNSRHE-XHDPSFHLSA-N 1 1 338.360 1.433 20 5 EDBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000361568126 445824221 /nfs/dbraw/zinc/82/42/21/445824221.db2.gz XARXYCFKYNSRHE-XHDPSFHLSA-N 1 1 338.360 1.433 20 5 EDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356460347 445802787 /nfs/dbraw/zinc/80/27/87/445802787.db2.gz NYRKJNYBPGNZGY-CYBMUJFWSA-N 1 1 343.387 1.675 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356460347 445802791 /nfs/dbraw/zinc/80/27/91/445802791.db2.gz NYRKJNYBPGNZGY-CYBMUJFWSA-N 1 1 343.387 1.675 20 5 EDBDMO C[NH+]1CCN(C(=O)C2CCN(c3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000365042270 445987792 /nfs/dbraw/zinc/98/77/92/445987792.db2.gz JJZTYSMMBFWVKP-UHFFFAOYSA-N 1 1 339.421 1.042 20 5 EDBDMO CN(C(=O)CN1CC[C@H]2CC[N@@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000373143816 446056211 /nfs/dbraw/zinc/05/62/11/446056211.db2.gz YDXIODFGMSFKOR-CZUORRHYSA-N 1 1 332.404 1.584 20 5 EDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362059851 446184622 /nfs/dbraw/zinc/18/46/22/446184622.db2.gz FXZLQXMFYZIKBQ-GJZGRUSLSA-N 1 1 333.388 1.507 20 5 EDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362059851 446184625 /nfs/dbraw/zinc/18/46/25/446184625.db2.gz FXZLQXMFYZIKBQ-GJZGRUSLSA-N 1 1 333.388 1.507 20 5 EDBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000365433595 446204924 /nfs/dbraw/zinc/20/49/24/446204924.db2.gz RXUVVYBRSUPTRK-UHFFFAOYSA-N 1 1 329.360 1.727 20 5 EDBDMO CC(=O)c1cc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1[N+](=O)[O-] ZINC000420246528 446430525 /nfs/dbraw/zinc/43/05/25/446430525.db2.gz TUNYJUPDRFKOQC-AWEZNQCLSA-N 1 1 346.387 1.198 20 5 EDBDMO Nc1nccc([C@@H]2CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000367214021 446523040 /nfs/dbraw/zinc/52/30/40/446523040.db2.gz QWZOGAZMUIYSFM-CJNGLKHVSA-N 1 1 343.387 1.880 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000375042314 446536823 /nfs/dbraw/zinc/53/68/23/446536823.db2.gz SBFHQVXFCAQIAP-DOMZBBRYSA-N 1 1 346.387 1.394 20 5 EDBDMO CCOc1ccc2c(c1)CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000433446823 446573698 /nfs/dbraw/zinc/57/36/98/446573698.db2.gz IVIKPZCKQMEBRV-MRXNPFEDSA-N 1 1 346.387 1.609 20 5 EDBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1c([N+](=O)[O-])ncn1C ZINC000433774354 446597401 /nfs/dbraw/zinc/59/74/01/446597401.db2.gz KZUFWZVLANPZNU-KBPBESRZSA-N 1 1 330.392 1.853 20 5 EDBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1 ZINC000367899163 446606452 /nfs/dbraw/zinc/60/64/52/446606452.db2.gz BLFCTSRCUWUXBY-LBPRGKRZSA-N 1 1 347.419 1.075 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000368082055 446629091 /nfs/dbraw/zinc/62/90/91/446629091.db2.gz DZLSXMNTMPGUBO-YNEHKIRRSA-N 1 1 346.387 1.298 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000368082055 446629095 /nfs/dbraw/zinc/62/90/95/446629095.db2.gz DZLSXMNTMPGUBO-YNEHKIRRSA-N 1 1 346.387 1.298 20 5 EDBDMO CC(C)OC[C@H](CO)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411636376 446631425 /nfs/dbraw/zinc/63/14/25/446631425.db2.gz OSFHNKUXVZJOQC-HNNXBMFYSA-N 1 1 339.392 1.641 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000375187413 446631913 /nfs/dbraw/zinc/63/19/13/446631913.db2.gz NKHRAKNCYHYOGA-LBPRGKRZSA-N 1 1 339.417 1.890 20 5 EDBDMO Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000371278230 446736621 /nfs/dbraw/zinc/73/66/21/446736621.db2.gz XRESTGCZZYIDCV-UONOGXRCSA-N 1 1 333.388 1.886 20 5 EDBDMO Cc1c(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000371278230 446736632 /nfs/dbraw/zinc/73/66/32/446736632.db2.gz XRESTGCZZYIDCV-UONOGXRCSA-N 1 1 333.388 1.886 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411962058 446765437 /nfs/dbraw/zinc/76/54/37/446765437.db2.gz YXTLJNLMFGAPKC-NEPJUHHUSA-N 1 1 334.376 1.332 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411962058 446765442 /nfs/dbraw/zinc/76/54/42/446765442.db2.gz YXTLJNLMFGAPKC-NEPJUHHUSA-N 1 1 334.376 1.332 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000420738211 446781741 /nfs/dbraw/zinc/78/17/41/446781741.db2.gz NFULPZQBYYRHOD-ZDUSSCGKSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000454146754 446791125 /nfs/dbraw/zinc/79/11/25/446791125.db2.gz MKODHPLKZZOGIE-CQSZACIVSA-N 1 1 336.392 1.872 20 5 EDBDMO Cc1nnc([C@@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412027008 446792218 /nfs/dbraw/zinc/79/22/18/446792218.db2.gz LBNBKSALWULPKR-TZMCWYRMSA-N 1 1 347.375 1.251 20 5 EDBDMO Cc1n[nH]c([C@@H]2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000412027008 446792225 /nfs/dbraw/zinc/79/22/25/446792225.db2.gz LBNBKSALWULPKR-TZMCWYRMSA-N 1 1 347.375 1.251 20 5 EDBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000412027008 446792234 /nfs/dbraw/zinc/79/22/34/446792234.db2.gz LBNBKSALWULPKR-TZMCWYRMSA-N 1 1 347.375 1.251 20 5 EDBDMO Cc1nc([C@@H]2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412027008 446792242 /nfs/dbraw/zinc/79/22/42/446792242.db2.gz LBNBKSALWULPKR-TZMCWYRMSA-N 1 1 347.375 1.251 20 5 EDBDMO Cc1nc([C@@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412027008 446792248 /nfs/dbraw/zinc/79/22/48/446792248.db2.gz LBNBKSALWULPKR-TZMCWYRMSA-N 1 1 347.375 1.251 20 5 EDBDMO CNc1nc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455689743 447209810 /nfs/dbraw/zinc/20/98/10/447209810.db2.gz AKUBVBMTCQWPFD-NEPJUHHUSA-N 1 1 333.392 1.730 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](c4nnc[nH]4)C3)n2)cc1 ZINC000425546840 447223859 /nfs/dbraw/zinc/22/38/59/447223859.db2.gz LMRTXANYBJTPMK-LLVKDONJSA-N 1 1 341.331 1.752 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](c4nnc[nH]4)C3)n2)cc1 ZINC000425546840 447223866 /nfs/dbraw/zinc/22/38/66/447223866.db2.gz LMRTXANYBJTPMK-LLVKDONJSA-N 1 1 341.331 1.752 20 5 EDBDMO COc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368973248 447236652 /nfs/dbraw/zinc/23/66/52/447236652.db2.gz JEIFWZFEIBMHNP-GHJWDPDVSA-N 1 1 349.387 1.568 20 5 EDBDMO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015215 447265223 /nfs/dbraw/zinc/26/52/23/447265223.db2.gz AMJOBXKASWDKMS-OCCSQVGLSA-N 1 1 335.408 1.876 20 5 EDBDMO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015215 447265230 /nfs/dbraw/zinc/26/52/30/447265230.db2.gz AMJOBXKASWDKMS-OCCSQVGLSA-N 1 1 335.408 1.876 20 5 EDBDMO CC(C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000380718225 447458582 /nfs/dbraw/zinc/45/85/82/447458582.db2.gz QJPDZNDTPFJNMR-JTQLQIEISA-N 1 1 348.197 1.220 20 5 EDBDMO O=C1CC[C@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1 ZINC000450561602 447526304 /nfs/dbraw/zinc/52/63/04/447526304.db2.gz GBOOJXHRAKZGNK-STQMWFEESA-N 1 1 333.392 1.392 20 5 EDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000457125888 447528567 /nfs/dbraw/zinc/52/85/67/447528567.db2.gz OKIAYJRTYJBRLI-NSHDSACASA-N 1 1 341.795 1.316 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000457125888 447528572 /nfs/dbraw/zinc/52/85/72/447528572.db2.gz OKIAYJRTYJBRLI-NSHDSACASA-N 1 1 341.795 1.316 20 5 EDBDMO C[C@H]1CCCN1C(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459513020 447694045 /nfs/dbraw/zinc/69/40/45/447694045.db2.gz QXKFUUOSKVVAFG-AWEZNQCLSA-N 1 1 347.419 1.513 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1noc2c1CCCC2 ZINC000571397735 448145411 /nfs/dbraw/zinc/14/54/11/448145411.db2.gz UHJSOUKCXGIKPB-GFCCVEGCSA-N 1 1 347.371 1.991 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000571762205 448201195 /nfs/dbraw/zinc/20/11/95/448201195.db2.gz CLHJPBAMTYYODH-FRRDWIJNSA-N 1 1 340.376 1.452 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000571762205 448201199 /nfs/dbraw/zinc/20/11/99/448201199.db2.gz CLHJPBAMTYYODH-FRRDWIJNSA-N 1 1 340.376 1.452 20 5 EDBDMO CNc1nccc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000561156851 448233409 /nfs/dbraw/zinc/23/34/09/448233409.db2.gz VYRYEEANHDHHJT-ZDUSSCGKSA-N 1 1 349.435 2.416 20 5 EDBDMO COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591054010 448246458 /nfs/dbraw/zinc/24/64/58/448246458.db2.gz XNOKFZYBJWAHJP-BHYGNILZSA-N 1 1 347.415 1.925 20 5 EDBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000591054324 448245992 /nfs/dbraw/zinc/24/59/92/448245992.db2.gz WMLITAURTRDXDE-OFQRWUPVSA-N 1 1 345.399 1.577 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492682540 448255483 /nfs/dbraw/zinc/25/54/83/448255483.db2.gz SZBDZGBIQZWSSZ-ZPIQOJFGSA-N 1 1 346.431 1.750 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000582528244 448261659 /nfs/dbraw/zinc/26/16/59/448261659.db2.gz SPBXOADBGZQEON-SKDRFNHKSA-N 1 1 345.808 1.573 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000582528244 448261661 /nfs/dbraw/zinc/26/16/61/448261661.db2.gz SPBXOADBGZQEON-SKDRFNHKSA-N 1 1 345.808 1.573 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000516974400 448514888 /nfs/dbraw/zinc/51/48/88/448514888.db2.gz CMDBTGDBTVNGDB-GFCCVEGCSA-N 1 1 343.405 1.117 20 5 EDBDMO C[C@@H](SC[C@@H]1C[N@H+](C)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578532059 448572550 /nfs/dbraw/zinc/57/25/50/448572550.db2.gz YMXYDJVTVZNUHB-NEPJUHHUSA-N 1 1 339.417 1.986 20 5 EDBDMO C[C@@H](SC[C@@H]1C[N@@H+](C)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578532059 448572553 /nfs/dbraw/zinc/57/25/53/448572553.db2.gz YMXYDJVTVZNUHB-NEPJUHHUSA-N 1 1 339.417 1.986 20 5 EDBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592196154 448734387 /nfs/dbraw/zinc/73/43/87/448734387.db2.gz AOGAUSOSTFCPMX-GXTWGEPZSA-N 1 1 338.360 1.220 20 5 EDBDMO CCCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592300760 448779406 /nfs/dbraw/zinc/77/94/06/448779406.db2.gz ZUWMLOVQDJBVGZ-CQSZACIVSA-N 1 1 348.403 1.784 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000587528667 448838233 /nfs/dbraw/zinc/83/82/33/448838233.db2.gz BXJRUQDTUBEQIY-GFCCVEGCSA-N 1 1 347.419 1.927 20 5 EDBDMO C[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000588949705 448953809 /nfs/dbraw/zinc/95/38/09/448953809.db2.gz PQHCJFBBRCTXMF-YMTOWFKASA-N 1 1 343.330 1.251 20 5 EDBDMO C[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000588949705 448953811 /nfs/dbraw/zinc/95/38/11/448953811.db2.gz PQHCJFBBRCTXMF-YMTOWFKASA-N 1 1 343.330 1.251 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588864069 448942769 /nfs/dbraw/zinc/94/27/69/448942769.db2.gz ZYSUEAJYXOVWFL-HOTGVXAUSA-N 1 1 333.388 1.195 20 5 EDBDMO O=C(C[N@@H+]1CC[C@@H](Cn2ccnn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595608435 449077321 /nfs/dbraw/zinc/07/73/21/449077321.db2.gz PUXXZKRYXNLYNO-GFCCVEGCSA-N 1 1 330.348 1.147 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H](Cn2ccnn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595608435 449077327 /nfs/dbraw/zinc/07/73/27/449077327.db2.gz PUXXZKRYXNLYNO-GFCCVEGCSA-N 1 1 330.348 1.147 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522383614 449079474 /nfs/dbraw/zinc/07/94/74/449079474.db2.gz GZWRJKBVXKWMEB-LLVKDONJSA-N 1 1 335.360 1.737 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000589925807 449081010 /nfs/dbraw/zinc/08/10/10/449081010.db2.gz SPQVDYRVCMGGCV-BXUZGUMPSA-N 1 1 325.390 1.228 20 5 EDBDMO CCc1[nH+]ccn1C[C@H]1CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000582393206 449083141 /nfs/dbraw/zinc/08/31/41/449083141.db2.gz PILUHSIGOVURCO-LLVKDONJSA-N 1 1 344.375 1.517 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1C ZINC000589930112 449084756 /nfs/dbraw/zinc/08/47/56/449084756.db2.gz SQQWYPVKRRKAPX-JSGCOSHPSA-N 1 1 339.417 1.536 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593099495 449133993 /nfs/dbraw/zinc/13/39/93/449133993.db2.gz BEKCDGFORDKKMX-XCMOZONUSA-N 1 1 337.401 1.437 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590053956 449102230 /nfs/dbraw/zinc/10/22/30/449102230.db2.gz ZEWYDPBYESMYLV-QGZVFWFLSA-N 1 1 333.388 1.894 20 5 EDBDMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000593188774 449163771 /nfs/dbraw/zinc/16/37/71/449163771.db2.gz POHLZDGQQSNQBM-BFHYXJOUSA-N 1 1 334.420 1.971 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000590444165 449165986 /nfs/dbraw/zinc/16/59/86/449165986.db2.gz LSLCEARHWJYNOX-XPTSAGLGSA-N 1 1 325.315 1.578 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)[C@H]2C1 ZINC000590446411 449166908 /nfs/dbraw/zinc/16/69/08/449166908.db2.gz VBSVAMOMWBBQDI-WBMJQRKESA-N 1 1 341.371 1.557 20 5 EDBDMO COc1cc(C(=O)NC2CC([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000600068896 449169611 /nfs/dbraw/zinc/16/96/11/449169611.db2.gz MEBLQGKCHDZZOF-UHFFFAOYSA-N 1 1 335.360 1.196 20 5 EDBDMO O=C(CC[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595735612 449137902 /nfs/dbraw/zinc/13/79/02/449137902.db2.gz BLIOWPHBVPYCKW-SWLSCSKDSA-N 1 1 346.387 1.524 20 5 EDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000604303614 449202227 /nfs/dbraw/zinc/20/22/27/449202227.db2.gz UMMHAROAPGGLSB-XQQFMLRXSA-N 1 1 347.419 1.930 20 5 EDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595848305 449205224 /nfs/dbraw/zinc/20/52/24/449205224.db2.gz DKLSZSOVBGXNIH-KWCYVHTRSA-N 1 1 338.360 1.218 20 5 EDBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000590555544 449189114 /nfs/dbraw/zinc/18/91/14/449189114.db2.gz PXUAARREIIEGQB-GFCCVEGCSA-N 1 1 348.403 1.502 20 5 EDBDMO O=C1[C@H]([N@H+]2CC[C@H]3COC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595829855 449193664 /nfs/dbraw/zinc/19/36/64/449193664.db2.gz IVULKKUWHVCMLJ-WOSRLPQWSA-N 1 1 331.372 1.668 20 5 EDBDMO CC(C)N1CC[NH+](C2CCN(c3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000611166098 449195496 /nfs/dbraw/zinc/19/54/96/449195496.db2.gz BHPIIOQUOSCPTJ-UHFFFAOYSA-N 1 1 333.436 1.985 20 5 EDBDMO NC(=O)CC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611255587 449238529 /nfs/dbraw/zinc/23/85/29/449238529.db2.gz KTGRABVQVHCBBM-UHFFFAOYSA-N 1 1 335.360 1.453 20 5 EDBDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000600297324 449305112 /nfs/dbraw/zinc/30/51/12/449305112.db2.gz AJPMUUSBBPBHRU-LBPRGKRZSA-N 1 1 345.359 1.331 20 5 EDBDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000600297324 449305117 /nfs/dbraw/zinc/30/51/17/449305117.db2.gz AJPMUUSBBPBHRU-LBPRGKRZSA-N 1 1 345.359 1.331 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000593979933 449311604 /nfs/dbraw/zinc/31/16/04/449311604.db2.gz UILJBSCWBAERTA-UHFFFAOYSA-N 1 1 345.359 1.427 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596058082 449340189 /nfs/dbraw/zinc/34/01/89/449340189.db2.gz CHNWAPYRURFISM-CYBMUJFWSA-N 1 1 336.392 1.462 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598452228 449401551 /nfs/dbraw/zinc/40/15/51/449401551.db2.gz HQBQYBLLSGKIPJ-INIZCTEOSA-N 1 1 333.388 1.195 20 5 EDBDMO COC(=O)c1c(Cl)c(NC[C@@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000596196115 449408275 /nfs/dbraw/zinc/40/82/75/449408275.db2.gz IUIHOSNMLZESNN-AWEZNQCLSA-N 1 1 343.767 1.513 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596235034 449430739 /nfs/dbraw/zinc/43/07/39/449430739.db2.gz QTURFRYMXPMPOA-UHFFFAOYSA-N 1 1 329.832 1.963 20 5 EDBDMO CN(CCCN(C)c1c(Cl)cncc1[N+](=O)[O-])CC[NH+](C)C ZINC000596235034 449430744 /nfs/dbraw/zinc/43/07/44/449430744.db2.gz QTURFRYMXPMPOA-UHFFFAOYSA-N 1 1 329.832 1.963 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611699354 449387069 /nfs/dbraw/zinc/38/70/69/449387069.db2.gz APPHAPSUCFXBGQ-CQSZACIVSA-N 1 1 345.403 2.307 20 5 EDBDMO CNc1nccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600469733 449395881 /nfs/dbraw/zinc/39/58/81/449395881.db2.gz JRSFTOORFDALQI-LBPRGKRZSA-N 1 1 333.392 1.778 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000596337382 449476949 /nfs/dbraw/zinc/47/69/49/449476949.db2.gz WAPUDXSXFAJACL-JTQLQIEISA-N 1 1 342.421 1.527 20 5 EDBDMO CCc1nn(C)c(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c1[N+](=O)[O-] ZINC000596514922 449537247 /nfs/dbraw/zinc/53/72/47/449537247.db2.gz OXCWEMALGHHKKI-ZIAGYGMSSA-N 1 1 349.435 1.946 20 5 EDBDMO CCC[N@H+]1CC[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596518847 449539619 /nfs/dbraw/zinc/53/96/19/449539619.db2.gz XPYVBXWYDOUVTL-SNVBAGLBSA-N 1 1 328.394 1.138 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3COCCN3)cs2)c1 ZINC000600777550 449543389 /nfs/dbraw/zinc/54/33/89/449543389.db2.gz UYQXHJYWJSZRRR-GFCCVEGCSA-N 1 1 334.401 1.796 20 5 EDBDMO Cn1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c([N+](=O)[O-])n1 ZINC000602465358 449611675 /nfs/dbraw/zinc/61/16/75/449611675.db2.gz PXIROBOJVLHVIQ-NSHDSACASA-N 1 1 331.380 1.246 20 5 EDBDMO Cn1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c([N+](=O)[O-])n1 ZINC000602465358 449611678 /nfs/dbraw/zinc/61/16/78/449611678.db2.gz PXIROBOJVLHVIQ-NSHDSACASA-N 1 1 331.380 1.246 20 5 EDBDMO COc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000614539168 449677538 /nfs/dbraw/zinc/67/75/38/449677538.db2.gz ABFIJXYLJOJWKS-SECBINFHSA-N 1 1 347.368 1.115 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000594787588 449696239 /nfs/dbraw/zinc/69/62/39/449696239.db2.gz ANSKIGJRWNDTKH-NSHDSACASA-N 1 1 342.421 1.389 20 5 EDBDMO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594790805 449700509 /nfs/dbraw/zinc/70/05/09/449700509.db2.gz XMBMKBMKOCTHSG-JTQLQIEISA-N 1 1 328.394 1.141 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594790805 449700512 /nfs/dbraw/zinc/70/05/12/449700512.db2.gz XMBMKBMKOCTHSG-JTQLQIEISA-N 1 1 328.394 1.141 20 5 EDBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+]([C@H]4CCOC4)CC3)c21 ZINC000612448995 449710845 /nfs/dbraw/zinc/71/08/45/449710845.db2.gz DVAFAIIZOCRGIU-LBPRGKRZSA-N 1 1 329.360 1.449 20 5 EDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000601163586 449726657 /nfs/dbraw/zinc/72/66/57/449726657.db2.gz KWNGMZWDMUBIMY-BDAKNGLRSA-N 1 1 349.313 1.256 20 5 EDBDMO C[NH+]1CCN(CC2CN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000599104388 449735048 /nfs/dbraw/zinc/73/50/48/449735048.db2.gz FKUCLNUNDYGVCS-UHFFFAOYSA-N 1 1 341.415 1.827 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601183676 449739765 /nfs/dbraw/zinc/73/97/65/449739765.db2.gz BUTPUFPFQKXDQC-NEPJUHHUSA-N 1 1 339.417 1.386 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000602784871 449806566 /nfs/dbraw/zinc/80/65/66/449806566.db2.gz KBTMLLHFAYCKQA-MRXNPFEDSA-N 1 1 348.403 1.609 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000602800439 449819671 /nfs/dbraw/zinc/81/96/71/449819671.db2.gz NCBDKPXZMDJQMN-UHFFFAOYSA-N 1 1 346.313 1.984 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000602800439 449819674 /nfs/dbraw/zinc/81/96/74/449819674.db2.gz NCBDKPXZMDJQMN-UHFFFAOYSA-N 1 1 346.313 1.984 20 5 EDBDMO CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000595100894 449868322 /nfs/dbraw/zinc/86/83/22/449868322.db2.gz BZWMVEJHBQCVNP-CYBMUJFWSA-N 1 1 334.376 1.394 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599412157 449957725 /nfs/dbraw/zinc/95/77/25/449957725.db2.gz GILPKGDLGKMDHZ-ZDUSSCGKSA-N 1 1 341.433 1.913 20 5 EDBDMO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000599412631 449958190 /nfs/dbraw/zinc/95/81/90/449958190.db2.gz LXZSHJAKCAMUAX-NSHDSACASA-N 1 1 345.396 1.744 20 5 EDBDMO C[N@H+]1CCCC[C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000599412631 449958191 /nfs/dbraw/zinc/95/81/91/449958191.db2.gz LXZSHJAKCAMUAX-NSHDSACASA-N 1 1 345.396 1.744 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000601447389 449970033 /nfs/dbraw/zinc/97/00/33/449970033.db2.gz OOOSDFKWIDVWLT-CQSZACIVSA-N 1 1 339.417 1.618 20 5 EDBDMO Cc1noc(CN2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595293552 450008461 /nfs/dbraw/zinc/00/84/61/450008461.db2.gz CLQWXBXBVYYNIV-SCRDCRAPSA-N 1 1 338.408 1.965 20 5 EDBDMO Cc1noc(CN2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595293552 450008467 /nfs/dbraw/zinc/00/84/67/450008467.db2.gz CLQWXBXBVYYNIV-SCRDCRAPSA-N 1 1 338.408 1.965 20 5 EDBDMO Cc1noc(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595293552 450008474 /nfs/dbraw/zinc/00/84/74/450008474.db2.gz CLQWXBXBVYYNIV-SCRDCRAPSA-N 1 1 338.408 1.965 20 5 EDBDMO Cc1noc(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595293552 450008478 /nfs/dbraw/zinc/00/84/78/450008478.db2.gz CLQWXBXBVYYNIV-SCRDCRAPSA-N 1 1 338.408 1.965 20 5 EDBDMO C[C@@H]1CN(CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@@H](C)O1 ZINC000595374606 450088469 /nfs/dbraw/zinc/08/84/69/450088469.db2.gz HPTRFVZWKNEWCQ-KFWWJZLASA-N 1 1 349.435 1.585 20 5 EDBDMO COC(=O)[C@@](C)(NCCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000599654989 450130492 /nfs/dbraw/zinc/13/04/92/450130492.db2.gz UMRQCIOSBPLPCB-INIZCTEOSA-N 1 1 332.360 1.549 20 5 EDBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644748 450125000 /nfs/dbraw/zinc/12/50/00/450125000.db2.gz NLUHJUGBSBXJBI-KLPPZKSPSA-N 1 1 331.332 1.341 20 5 EDBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644748 450125004 /nfs/dbraw/zinc/12/50/04/450125004.db2.gz NLUHJUGBSBXJBI-KLPPZKSPSA-N 1 1 331.332 1.341 20 5 EDBDMO O=C(C[N@H+]1CCC[C@H](CCO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610213842 450154527 /nfs/dbraw/zinc/15/45/27/450154527.db2.gz WFCRXNMMLWARCG-CYBMUJFWSA-N 1 1 333.388 1.578 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@H](CCO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610213842 450154532 /nfs/dbraw/zinc/15/45/32/450154532.db2.gz WFCRXNMMLWARCG-CYBMUJFWSA-N 1 1 333.388 1.578 20 5 EDBDMO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595461146 450157745 /nfs/dbraw/zinc/15/77/45/450157745.db2.gz MDEWPVXAKUQIFC-SWLSCSKDSA-N 1 1 342.367 1.580 20 5 EDBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595461146 450157753 /nfs/dbraw/zinc/15/77/53/450157753.db2.gz MDEWPVXAKUQIFC-SWLSCSKDSA-N 1 1 342.367 1.580 20 5 EDBDMO CC(C)(C(=O)N1CC(C[NH+]2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000597682448 450193536 /nfs/dbraw/zinc/19/35/36/450193536.db2.gz PAQREFPADJJUJD-UHFFFAOYSA-N 1 1 347.415 1.663 20 5 EDBDMO C[N@H+](Cc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000589307843 491015206 /nfs/dbraw/zinc/01/52/06/491015206.db2.gz LSTDXVRLJXWJLM-UHFFFAOYSA-N 1 1 335.385 1.874 20 5 EDBDMO C[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000589307843 491015207 /nfs/dbraw/zinc/01/52/07/491015207.db2.gz LSTDXVRLJXWJLM-UHFFFAOYSA-N 1 1 335.385 1.874 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000174509781 527814153 /nfs/dbraw/zinc/81/41/53/527814153.db2.gz AHKXQBQAROYCIG-NSHDSACASA-N 1 1 336.348 1.917 20 5 EDBDMO C[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000125797318 536361494 /nfs/dbraw/zinc/36/14/94/536361494.db2.gz JBGVRCPDWLQUIJ-UHFFFAOYSA-N 1 1 333.797 1.574 20 5 EDBDMO C[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000125797318 536361497 /nfs/dbraw/zinc/36/14/97/536361497.db2.gz JBGVRCPDWLQUIJ-UHFFFAOYSA-N 1 1 333.797 1.574 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000742912122 579465328 /nfs/dbraw/zinc/46/53/28/579465328.db2.gz YOKOUVLYBLXOSE-CYBMUJFWSA-N 1 1 345.403 1.745 20 5 EDBDMO O=C(OCCC[NH+]1CCOCC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000750883444 578542760 /nfs/dbraw/zinc/54/27/60/578542760.db2.gz IPHSVTJHBUCCRA-UHFFFAOYSA-N 1 1 330.287 1.752 20 5 EDBDMO Cc1[nH]nc(C(=O)N(CCc2ccccc2)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000729322349 578563663 /nfs/dbraw/zinc/56/36/63/578563663.db2.gz XIUNIEBAGZEEQP-UHFFFAOYSA-N 1 1 345.403 1.873 20 5 EDBDMO C[C@H](O[NH+]=C(N)C1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000732569706 578719222 /nfs/dbraw/zinc/71/92/22/578719222.db2.gz XSDUDMBHEAWMOS-JTQLQIEISA-N 1 1 336.348 1.847 20 5 EDBDMO O=[N+]([O-])c1ccc(NC(=S)NCC[NH+]2CCSCC2)cc1 ZINC000732719834 578725417 /nfs/dbraw/zinc/72/54/17/578725417.db2.gz ATNOMOOPMDNZCD-UHFFFAOYSA-N 1 1 326.447 1.930 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736859884 579027835 /nfs/dbraw/zinc/02/78/35/579027835.db2.gz JJZBTZLSHFYRCD-OLZOCXBDSA-N 1 1 343.391 1.838 20 5 EDBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000762792022 580083449 /nfs/dbraw/zinc/08/34/49/580083449.db2.gz ZGARHCNYYZRGDC-INIZCTEOSA-N 1 1 340.387 1.984 20 5 EDBDMO Cc1[nH+]ccn1CCOC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000771955536 580299352 /nfs/dbraw/zinc/29/93/52/580299352.db2.gz YMUFMHLUJAJADN-UHFFFAOYSA-N 1 1 333.300 1.728 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000780864860 580535465 /nfs/dbraw/zinc/53/54/65/580535465.db2.gz BTAQYCLWANTPEU-GFCCVEGCSA-N 1 1 327.406 1.666 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C ZINC000787242374 580690438 /nfs/dbraw/zinc/69/04/38/580690438.db2.gz UWOWOXUCPVIZCY-BXUZGUMPSA-N 1 1 345.359 1.694 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C ZINC000787242374 580690439 /nfs/dbraw/zinc/69/04/39/580690439.db2.gz UWOWOXUCPVIZCY-BXUZGUMPSA-N 1 1 345.359 1.694 20 5 EDBDMO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791572365 580795772 /nfs/dbraw/zinc/79/57/72/580795772.db2.gz DRNXUFFCVAVMJA-OKILXGFUSA-N 1 1 332.404 1.726 20 5 EDBDMO C[C@]12CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1C2(Cl)Cl ZINC000792910743 580830687 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CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000869780504 596632634 /nfs/dbraw/zinc/63/26/34/596632634.db2.gz WMNOJRJGUJHFQO-JTQLQIEISA-N 1 1 341.795 1.823 20 5 EDBDMO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872084391 596802886 /nfs/dbraw/zinc/80/28/86/596802886.db2.gz RPTJRPRFJQATGO-NXEZZACHSA-N 1 1 331.369 1.418 20 5 EDBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H](O)C[NH+]1CCCC1 ZINC000866240964 596836422 /nfs/dbraw/zinc/83/64/22/596836422.db2.gz RULHBOBOMMNBRL-IUODEOHRSA-N 1 1 325.384 1.711 20 5 EDBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)CN1CCCC1 ZINC000866240964 596836423 /nfs/dbraw/zinc/83/64/23/596836423.db2.gz RULHBOBOMMNBRL-IUODEOHRSA-N 1 1 325.384 1.711 20 5 EDBDMO O=C1N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[C@@H]2CCCCN12 ZINC000872602378 596984684 /nfs/dbraw/zinc/98/46/84/596984684.db2.gz XCDLUPXSMRQOFR-AWEZNQCLSA-N 1 1 348.407 1.676 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000874840951 597194763 /nfs/dbraw/zinc/19/47/63/597194763.db2.gz SFHAVYPIWKKLJZ-UONOGXRCSA-N 1 1 347.371 1.481 20 5 EDBDMO C[C@]([NH3+])(C(=O)N1CCO[C@@H](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000877061576 597424543 /nfs/dbraw/zinc/42/45/43/597424543.db2.gz LRGZSDFYXDNXJA-DZGCQCFKSA-N 1 1 325.340 1.356 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000877547195 597533648 /nfs/dbraw/zinc/53/36/48/597533648.db2.gz YXJVMFOPVKKMBN-CYBMUJFWSA-N 1 1 341.433 1.677 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000877547195 597533649 /nfs/dbraw/zinc/53/36/49/597533649.db2.gz YXJVMFOPVKKMBN-CYBMUJFWSA-N 1 1 341.433 1.677 20 5 EDBDMO COc1ccc(NC(=O)CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000879574958 597638349 /nfs/dbraw/zinc/63/83/49/597638349.db2.gz HEYMOLFBNAAACT-IUODEOHRSA-N 1 1 348.403 1.568 20 5 EDBDMO CC(C)(O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879959637 597784405 /nfs/dbraw/zinc/78/44/05/597784405.db2.gz QQAROAWOEBIFFM-DZGCQCFKSA-N 1 1 338.404 1.817 20 5 EDBDMO COC(=O)C(C)(C)C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC(C)C ZINC000880384213 597919624 /nfs/dbraw/zinc/91/96/24/597919624.db2.gz SEMOCWMJCXXOOD-UHFFFAOYSA-N 1 1 326.397 1.986 20 5 EDBDMO CC(C)[N@@H+](C)CCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915282635 695780677 /nfs/dbraw/zinc/78/06/77/695780677.db2.gz PBCQWQUJKZOPQO-UHFFFAOYSA-N 1 1 333.392 1.791 20 5 EDBDMO C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000918360202 697157761 /nfs/dbraw/zinc/15/77/61/697157761.db2.gz QDTGBBGVWCJNHM-BETUJISGSA-N 1 1 345.446 1.619 20 5 EDBDMO Cc1nnsc1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001031541126 697225534 /nfs/dbraw/zinc/22/55/34/697225534.db2.gz AFADYLQNPHUPKS-UHFFFAOYSA-N 1 1 347.400 1.617 20 5 EDBDMO Cc1ncc(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)n1C ZINC001031923535 701079849 /nfs/dbraw/zinc/07/98/49/701079849.db2.gz MBARZIUVYNAFAX-UHFFFAOYSA-N 1 1 343.387 1.499 20 5 EDBDMO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1F ZINC000996439916 702769672 /nfs/dbraw/zinc/76/96/72/702769672.db2.gz JJEITUPHXGFLMV-GDBMZVCRSA-N 1 1 335.379 1.880 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2csc(Cl)n2)CC1 ZINC000996429710 702783698 /nfs/dbraw/zinc/78/36/98/702783698.db2.gz TXALKVXWYDYSIJ-GHMZBOCLSA-N 1 1 344.824 1.542 20 5 EDBDMO CO[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCS(=O)(=O)C1 ZINC000922619880 704155631 /nfs/dbraw/zinc/15/56/31/704155631.db2.gz VSUUKWCTMXQEAY-ZDUSSCGKSA-N 1 1 348.808 1.542 20 5 EDBDMO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1ccon1 ZINC001002393300 708890631 /nfs/dbraw/zinc/89/06/31/708890631.db2.gz DDMABRHVMOEDOL-UHFFFAOYSA-N 1 1 330.344 1.977 20 5 EDBDMO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1ccnnc1 ZINC001003689939 710491862 /nfs/dbraw/zinc/49/18/62/710491862.db2.gz KWSAEHTUFYGDLG-UHFFFAOYSA-N 1 1 341.371 1.779 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000174604932 529380146 /nfs/dbraw/zinc/38/01/46/529380146.db2.gz JJIBVHOHMFRZIR-UKRRQHHQSA-N 1 1 335.404 1.820 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000126261272 222676635 /nfs/dbraw/zinc/67/66/35/222676635.db2.gz HQKIDQSJHUOGNR-JQWIXIFHSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000126261272 222676636 /nfs/dbraw/zinc/67/66/36/222676636.db2.gz HQKIDQSJHUOGNR-JQWIXIFHSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000068606697 215323277 /nfs/dbraw/zinc/32/32/77/215323277.db2.gz YTAQHQJLQLDUPA-UHFFFAOYSA-N 1 1 348.403 1.186 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000356731287 283055348 /nfs/dbraw/zinc/05/53/48/283055348.db2.gz OUTCBJLMSOTKHM-IUODEOHRSA-N 1 1 329.360 1.504 20 5 EDBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000563580885 306339638 /nfs/dbraw/zinc/33/96/38/306339638.db2.gz CRAXYSCCRTVFEJ-LLVKDONJSA-N 1 1 339.417 1.895 20 5 EDBDMO O=C1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1 ZINC000104679064 138300104 /nfs/dbraw/zinc/30/01/04/138300104.db2.gz AKFDNXIFVBOBNE-UHFFFAOYSA-N 1 1 330.344 1.614 20 5 EDBDMO Nc1c(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000131632001 223252692 /nfs/dbraw/zinc/25/26/92/223252692.db2.gz CDHGGIPNIVEZQP-LBPRGKRZSA-N 1 1 336.392 1.144 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000072713600 216297371 /nfs/dbraw/zinc/29/73/71/216297371.db2.gz UNEBEUMKGIPCFT-LLVKDONJSA-N 1 1 325.365 1.635 20 5 EDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000081364171 217388692 /nfs/dbraw/zinc/38/86/92/217388692.db2.gz GFPHVLOVTVLAHN-AWEZNQCLSA-N 1 1 337.424 1.680 20 5 EDBDMO COC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246531620 139111978 /nfs/dbraw/zinc/11/19/78/139111978.db2.gz PQAKYYCGUVOMEP-BZNIZROVSA-N 1 1 335.360 1.807 20 5 EDBDMO COC(=O)[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246531620 139111979 /nfs/dbraw/zinc/11/19/79/139111979.db2.gz PQAKYYCGUVOMEP-BZNIZROVSA-N 1 1 335.360 1.807 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000247506690 139150745 /nfs/dbraw/zinc/15/07/45/139150745.db2.gz JBFIMAGUNUYUPC-NEPJUHHUSA-N 1 1 334.376 1.428 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000247506690 139150746 /nfs/dbraw/zinc/15/07/46/139150746.db2.gz JBFIMAGUNUYUPC-NEPJUHHUSA-N 1 1 334.376 1.428 20 5 EDBDMO COc1ccc(NC(=O)CCN[C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000424339422 252198131 /nfs/dbraw/zinc/19/81/31/252198131.db2.gz VWAUGVIAJCOLFT-CHWSQXEVSA-N 1 1 336.392 1.792 20 5 EDBDMO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCCC[C@H]2N)c([N+](=O)[O-])c1 ZINC000424339422 252198137 /nfs/dbraw/zinc/19/81/37/252198137.db2.gz VWAUGVIAJCOLFT-CHWSQXEVSA-N 1 1 336.392 1.792 20 5 EDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCC[C@H]1O ZINC000426201930 252323964 /nfs/dbraw/zinc/32/39/64/252323964.db2.gz QZROUIZNTCMSQA-HZPDHXFCSA-N 1 1 333.388 1.719 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493039176 255189259 /nfs/dbraw/zinc/18/92/59/255189259.db2.gz KWFKUTOHDCEECO-KTKRTIGZSA-N 1 1 348.447 1.950 20 5 EDBDMO CN(CCCN(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000493039176 255189260 /nfs/dbraw/zinc/18/92/60/255189260.db2.gz KWFKUTOHDCEECO-KTKRTIGZSA-N 1 1 348.447 1.950 20 5 EDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000060510891 285268725 /nfs/dbraw/zinc/26/87/25/285268725.db2.gz PRWCGNPHMYHBLT-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000060510891 285268726 /nfs/dbraw/zinc/26/87/26/285268726.db2.gz PRWCGNPHMYHBLT-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1ccco1 ZINC000116922662 221011495 /nfs/dbraw/zinc/01/14/95/221011495.db2.gz QKWGHUIPWNBNJU-UHFFFAOYSA-N 1 1 325.346 1.256 20 5 EDBDMO CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000118121686 221123884 /nfs/dbraw/zinc/12/38/84/221123884.db2.gz XZFURQQQPFFPPB-UHFFFAOYSA-N 1 1 334.376 1.442 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118105189 221118927 /nfs/dbraw/zinc/11/89/27/221118927.db2.gz UHNPZVCRSCOQGV-SNVBAGLBSA-N 1 1 340.767 1.397 20 5 EDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000347363539 533380201 /nfs/dbraw/zinc/38/02/01/533380201.db2.gz RSFCRXXWOMRDCS-BXBOZWQASA-N 1 1 349.431 1.623 20 5 EDBDMO COC(=O)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000129002607 533492118 /nfs/dbraw/zinc/49/21/18/533492118.db2.gz BHVWFGXJPXZLKX-UHFFFAOYSA-N 1 1 341.339 1.946 20 5 EDBDMO COC(=O)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000129002607 533492125 /nfs/dbraw/zinc/49/21/25/533492125.db2.gz BHVWFGXJPXZLKX-UHFFFAOYSA-N 1 1 341.339 1.946 20 5 EDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCC[C@@H]1O ZINC000270059083 140040108 /nfs/dbraw/zinc/04/01/08/140040108.db2.gz GRCWOQPWKZVGOM-BBRMVZONSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000270224379 140062599 /nfs/dbraw/zinc/06/25/99/140062599.db2.gz NDFNKYOPNPZHHG-BETUJISGSA-N 1 1 348.403 1.266 20 5 EDBDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1O ZINC000270922657 140199587 /nfs/dbraw/zinc/19/95/87/140199587.db2.gz PDWMCSUMUCMUPS-JTNHKYCSSA-N 1 1 337.376 1.633 20 5 EDBDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1O ZINC000270922657 140199588 /nfs/dbraw/zinc/19/95/88/140199588.db2.gz PDWMCSUMUCMUPS-JTNHKYCSSA-N 1 1 337.376 1.633 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)C1 ZINC000332293842 141157540 /nfs/dbraw/zinc/15/75/40/141157540.db2.gz ZRFYNJBRBMZDAC-VXGBXAGGSA-N 1 1 346.387 1.603 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)C1 ZINC000332293842 141157542 /nfs/dbraw/zinc/15/75/42/141157542.db2.gz ZRFYNJBRBMZDAC-VXGBXAGGSA-N 1 1 346.387 1.603 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000332303657 141159082 /nfs/dbraw/zinc/15/90/82/141159082.db2.gz ZZIIXSUUEPBEPH-VXGBXAGGSA-N 1 1 333.392 1.358 20 5 EDBDMO CC(C)[NH+]1CCN(CCCN2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000332521594 141195525 /nfs/dbraw/zinc/19/55/25/141195525.db2.gz ZKDYXNCXMMTTMV-UHFFFAOYSA-N 1 1 347.463 1.764 20 5 EDBDMO COCCN1C(=O)N[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CC[C@@H]21 ZINC000345660101 143117841 /nfs/dbraw/zinc/11/78/41/143117841.db2.gz SNOXJDQTKUJUEZ-ZBFHGGJFSA-N 1 1 348.403 1.518 20 5 EDBDMO COCCN1C(=O)N[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)CC[C@@H]21 ZINC000345660101 143117842 /nfs/dbraw/zinc/11/78/42/143117842.db2.gz SNOXJDQTKUJUEZ-ZBFHGGJFSA-N 1 1 348.403 1.518 20 5 EDBDMO Cc1noc([C@@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000346269925 143185778 /nfs/dbraw/zinc/18/57/78/143185778.db2.gz MSZXLRGDRIPVRI-GFCCVEGCSA-N 1 1 331.332 1.375 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000347089978 143281409 /nfs/dbraw/zinc/28/14/09/143281409.db2.gz IOEARXCNPYVNBO-AWEZNQCLSA-N 1 1 349.431 1.788 20 5 EDBDMO CCOc1ccc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000347765674 143360254 /nfs/dbraw/zinc/36/02/54/143360254.db2.gz ABHGOVHUDIZCIW-GOEBONIOSA-N 1 1 349.387 1.539 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(OC)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355364828 150236781 /nfs/dbraw/zinc/23/67/81/150236781.db2.gz GWUFCUHMJUMJOZ-ZBFHGGJFSA-N 1 1 349.387 1.539 20 5 EDBDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000357062722 150909526 /nfs/dbraw/zinc/90/95/26/150909526.db2.gz XGXGYAVTMBFOOU-LLVKDONJSA-N 1 1 332.364 1.565 20 5 EDBDMO COC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000357407951 151022707 /nfs/dbraw/zinc/02/27/07/151022707.db2.gz FYKBVDWRPQMPMB-MFKMUULPSA-N 1 1 335.360 1.594 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000357572088 151071044 /nfs/dbraw/zinc/07/10/44/151071044.db2.gz PZOFJJVSWBJXJA-BXUZGUMPSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000417075555 304369919 /nfs/dbraw/zinc/36/99/19/304369919.db2.gz VFSIUPYAABOMGC-MNOVXSKESA-N 1 1 340.355 1.653 20 5 EDBDMO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000417075555 304369921 /nfs/dbraw/zinc/36/99/21/304369921.db2.gz VFSIUPYAABOMGC-MNOVXSKESA-N 1 1 340.355 1.653 20 5 EDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000358308364 151332337 /nfs/dbraw/zinc/33/23/37/151332337.db2.gz OQBPGVIIHOLGFA-LBPRGKRZSA-N 1 1 325.413 1.763 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000360654349 152139862 /nfs/dbraw/zinc/13/98/62/152139862.db2.gz ULLRHPDJEYRRBE-YPMHNXCESA-N 1 1 341.433 1.918 20 5 EDBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC[N@H+]1C ZINC000361083733 152297637 /nfs/dbraw/zinc/29/76/37/152297637.db2.gz QILXOVAMTLDELU-NXEZZACHSA-N 1 1 328.394 1.137 20 5 EDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000363239220 152932671 /nfs/dbraw/zinc/93/26/71/152932671.db2.gz RSTLXDBVTKEAJE-UHFFFAOYSA-N 1 1 339.417 1.983 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363688487 153030268 /nfs/dbraw/zinc/03/02/68/153030268.db2.gz DNUXLHHXURLNGR-RYUDHWBXSA-N 1 1 339.779 1.841 20 5 EDBDMO CCC[N@H+]1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000364116202 153149054 /nfs/dbraw/zinc/14/90/54/153149054.db2.gz XGCRVAQOETYVPO-UHFFFAOYSA-N 1 1 337.424 1.743 20 5 EDBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000370215657 155381384 /nfs/dbraw/zinc/38/13/84/155381384.db2.gz NDVDFSLPOQBHCA-INIZCTEOSA-N 1 1 329.404 1.998 20 5 EDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367090045 154005448 /nfs/dbraw/zinc/00/54/48/154005448.db2.gz TZRLYNSAPQFQAT-HOTGVXAUSA-N 1 1 333.388 1.507 20 5 EDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367090045 154005449 /nfs/dbraw/zinc/00/54/49/154005449.db2.gz TZRLYNSAPQFQAT-HOTGVXAUSA-N 1 1 333.388 1.507 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000371986810 156197440 /nfs/dbraw/zinc/19/74/40/156197440.db2.gz KLLUMCFFOQIVLE-DLBZAZTESA-N 1 1 347.415 1.897 20 5 EDBDMO Cc1cc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc([N+](=O)[O-])c1 ZINC000374227789 157203805 /nfs/dbraw/zinc/20/38/05/157203805.db2.gz CUDIVBHZNCUSCS-INIZCTEOSA-N 1 1 346.431 1.755 20 5 EDBDMO C[N@H+]1CCCC12CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000374596595 157340810 /nfs/dbraw/zinc/34/08/10/157340810.db2.gz RSPRJDIDJLRKNE-OAHLLOKOSA-N 1 1 349.431 1.895 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352546588 162243470 /nfs/dbraw/zinc/24/34/70/162243470.db2.gz XMHTYZJJFGQXBF-HNNXBMFYSA-N 1 1 335.404 1.758 20 5 EDBDMO COc1cc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352546588 162243471 /nfs/dbraw/zinc/24/34/71/162243471.db2.gz XMHTYZJJFGQXBF-HNNXBMFYSA-N 1 1 335.404 1.758 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273350917 268033276 /nfs/dbraw/zinc/03/32/76/268033276.db2.gz CKGRKKIDLWTRAA-LLVKDONJSA-N 1 1 340.355 1.654 20 5 EDBDMO C[C@H]1CCCC[N@H+]1CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273483005 268049489 /nfs/dbraw/zinc/04/94/89/268049489.db2.gz NAWCSXIJLUHSNB-NSHDSACASA-N 1 1 342.421 1.529 20 5 EDBDMO [NH3+]CC(F)(F)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000275182657 268292410 /nfs/dbraw/zinc/29/24/10/268292410.db2.gz XFIXDDGEDXSVNK-UHFFFAOYSA-N 1 1 327.209 1.937 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000275187582 268293024 /nfs/dbraw/zinc/29/30/24/268293024.db2.gz OIPLWYFUAGKBBT-FZMZJTMJSA-N 1 1 347.375 1.287 20 5 EDBDMO CNC(=O)c1ccn([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000275363006 268330722 /nfs/dbraw/zinc/33/07/22/268330722.db2.gz BHINANPZBPJBHW-HNNXBMFYSA-N 1 1 343.387 1.988 20 5 EDBDMO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000276471933 268430744 /nfs/dbraw/zinc/43/07/44/268430744.db2.gz MWMCCXYCYQHKRN-CYBMUJFWSA-N 1 1 344.327 1.575 20 5 EDBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000273380297 273036192 /nfs/dbraw/zinc/03/61/92/273036192.db2.gz IFXROEYIGBWZSF-LLVKDONJSA-N 1 1 340.355 1.824 20 5 EDBDMO C[C@@H](O)C[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000275778151 273128183 /nfs/dbraw/zinc/12/81/83/273128183.db2.gz HXEOWJRMKYTWJM-SECBINFHSA-N 1 1 345.197 1.255 20 5 EDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277121844 273180957 /nfs/dbraw/zinc/18/09/57/273180957.db2.gz RZKBCRNULKWKHG-CYBMUJFWSA-N 1 1 337.376 1.132 20 5 EDBDMO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000280662252 273382796 /nfs/dbraw/zinc/38/27/96/273382796.db2.gz FGQYZKNBHLWUMQ-CQSZACIVSA-N 1 1 340.767 1.384 20 5 EDBDMO C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000280662252 273382798 /nfs/dbraw/zinc/38/27/98/273382798.db2.gz FGQYZKNBHLWUMQ-CQSZACIVSA-N 1 1 340.767 1.384 20 5 EDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000280716081 273389419 /nfs/dbraw/zinc/38/94/19/273389419.db2.gz HTDPZTUFQLMQRG-INIZCTEOSA-N 1 1 337.376 1.440 20 5 EDBDMO COCC[N@H+]1CCCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000360146520 274026733 /nfs/dbraw/zinc/02/67/33/274026733.db2.gz FBIBRTYKXQFUCX-UHFFFAOYSA-N 1 1 337.376 1.540 20 5 EDBDMO COCC[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000129459533 274032073 /nfs/dbraw/zinc/03/20/73/274032073.db2.gz YQAOTCIMQVWQGB-UHFFFAOYSA-N 1 1 345.197 1.521 20 5 EDBDMO Cn1cc([C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]2C(N)=O)cn1 ZINC000284539532 274238099 /nfs/dbraw/zinc/23/80/99/274238099.db2.gz HPZONDWSSSUHRK-KGLIPLIRSA-N 1 1 347.350 1.168 20 5 EDBDMO COC(=O)c1cc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000284855719 274360999 /nfs/dbraw/zinc/36/09/99/274360999.db2.gz DXVHWOFMLSFLSO-LSDHHAIUSA-N 1 1 349.387 1.599 20 5 EDBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C1([NH+]2CCOCC2)CCCC1 ZINC000285665876 274611222 /nfs/dbraw/zinc/61/12/22/274611222.db2.gz NCBLFQPNUKFEHY-LLVKDONJSA-N 1 1 337.380 1.081 20 5 EDBDMO COCCC[N@@H+](C)CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000287294557 288202644 /nfs/dbraw/zinc/20/26/44/288202644.db2.gz MKCUUUZZZKMTRD-UHFFFAOYSA-N 1 1 340.380 1.465 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287387496 288226509 /nfs/dbraw/zinc/22/65/09/288226509.db2.gz INRUBMODZXAGCX-JSGCOSHPSA-N 1 1 343.387 1.958 20 5 EDBDMO Cn1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O ZINC000291730574 289163763 /nfs/dbraw/zinc/16/37/63/289163763.db2.gz NTPJOXRJVIIHJX-UHFFFAOYSA-N 1 1 332.360 1.017 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292052377 289249727 /nfs/dbraw/zinc/24/97/27/289249727.db2.gz NSVWJSCOBSYKPC-OAHLLOKOSA-N 1 1 339.417 1.620 20 5 EDBDMO CN(C(=O)C[NH+]1CCC2(CC1)OCCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000292910644 289470047 /nfs/dbraw/zinc/47/00/47/289470047.db2.gz FKGDSMZEIBKQDC-UHFFFAOYSA-N 1 1 349.387 1.787 20 5 EDBDMO Cn1cc([C@@H]2[C@@H](CNc3ccc([N+](=O)[O-])cn3)CCC[N@H+]2C)cn1 ZINC000377707533 447306243 /nfs/dbraw/zinc/30/62/43/447306243.db2.gz RBDAOLFCVXDXDX-WBMJQRKESA-N 1 1 330.392 2.218 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000293808840 303022308 /nfs/dbraw/zinc/02/23/08/303022308.db2.gz FATDBMYWGXAJFH-JKSUJKDBSA-N 1 1 333.388 1.838 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000293867224 303030901 /nfs/dbraw/zinc/03/09/01/303030901.db2.gz BRCNOCYVVCAQQK-TXEJJXNPSA-N 1 1 344.375 1.340 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000293867224 303030903 /nfs/dbraw/zinc/03/09/03/303030903.db2.gz BRCNOCYVVCAQQK-TXEJJXNPSA-N 1 1 344.375 1.340 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295347153 303207766 /nfs/dbraw/zinc/20/77/66/303207766.db2.gz NWADJKXSMMUWDZ-YHWZYXNKSA-N 1 1 339.417 1.807 20 5 EDBDMO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+](C2CC2)C1 ZINC000295391503 303212769 /nfs/dbraw/zinc/21/27/69/303212769.db2.gz QOEAJDCWTMYFAO-SNVBAGLBSA-N 1 1 336.367 1.872 20 5 EDBDMO COC(=O)Cc1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000295529147 303230396 /nfs/dbraw/zinc/23/03/96/303230396.db2.gz SMWTZRCMAQNOLS-UHFFFAOYSA-N 1 1 337.376 1.445 20 5 EDBDMO CN(CC[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301164601 303664080 /nfs/dbraw/zinc/66/40/80/303664080.db2.gz CILHDPUDMRFMEN-UHFFFAOYSA-N 1 1 327.406 1.530 20 5 EDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000301532373 303683085 /nfs/dbraw/zinc/68/30/85/303683085.db2.gz IAXOOQGUFZRKFW-NSHDSACASA-N 1 1 326.784 1.802 20 5 EDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000431118109 305075567 /nfs/dbraw/zinc/07/55/67/305075567.db2.gz DGGOZABPVYAVJF-JTQLQIEISA-N 1 1 330.348 1.480 20 5 EDBDMO C[C@H](O)C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000436442688 305157375 /nfs/dbraw/zinc/15/73/75/305157375.db2.gz CPYCHITZZWDBBI-JTQLQIEISA-N 1 1 326.372 1.598 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)C1CCC1 ZINC000439290209 305196021 /nfs/dbraw/zinc/19/60/21/305196021.db2.gz VBXSDQFXBQSVIO-UHFFFAOYSA-N 1 1 337.376 1.779 20 5 EDBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)COc1ccccc1 ZINC000444803842 305253365 /nfs/dbraw/zinc/25/33/65/305253365.db2.gz GPSMUQNONAXHOA-INIZCTEOSA-N 1 1 348.403 1.942 20 5 EDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449575361 305314393 /nfs/dbraw/zinc/31/43/93/305314393.db2.gz LZHBAFXUHJUKMU-CQSZACIVSA-N 1 1 329.759 1.951 20 5 EDBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000451247847 305335368 /nfs/dbraw/zinc/33/53/68/305335368.db2.gz AKCQQZMXJUXYCE-OCCSQVGLSA-N 1 1 349.387 1.986 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451294641 305336969 /nfs/dbraw/zinc/33/69/69/305336969.db2.gz CMCPWZNBILFMBU-SQWLQELKSA-N 1 1 336.388 1.835 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451305704 305337884 /nfs/dbraw/zinc/33/78/84/305337884.db2.gz QTRFNJNEZIQPQE-BMFZPTHFSA-N 1 1 336.388 1.965 20 5 EDBDMO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000451341495 305340317 /nfs/dbraw/zinc/34/03/17/305340317.db2.gz ZCTKBEGCAHKCRT-MRXNPFEDSA-N 1 1 348.359 1.483 20 5 EDBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000451341495 305340318 /nfs/dbraw/zinc/34/03/18/305340318.db2.gz ZCTKBEGCAHKCRT-MRXNPFEDSA-N 1 1 348.359 1.483 20 5 EDBDMO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551263 305352974 /nfs/dbraw/zinc/35/29/74/305352974.db2.gz UCBSONHPVQTWLV-AWEZNQCLSA-N 1 1 341.433 1.666 20 5 EDBDMO CCn1nccc1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459520602 305520519 /nfs/dbraw/zinc/52/05/19/305520519.db2.gz YSHQDXDZELABEQ-UHFFFAOYSA-N 1 1 330.392 1.571 20 5 EDBDMO CCc1ccc(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000471952576 305541829 /nfs/dbraw/zinc/54/18/29/305541829.db2.gz NGBVXMMZCUOHJU-ZDUSSCGKSA-N 1 1 335.404 1.998 20 5 EDBDMO CCn1nnc(C)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449026691 447360380 /nfs/dbraw/zinc/36/03/80/447360380.db2.gz GJQWIIJHBCZAFP-GFCCVEGCSA-N 1 1 331.380 1.596 20 5 EDBDMO CCn1nnc(C)c1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449026691 447360386 /nfs/dbraw/zinc/36/03/86/447360386.db2.gz GJQWIIJHBCZAFP-GFCCVEGCSA-N 1 1 331.380 1.596 20 5 EDBDMO Cc1cc(C)n(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000553612403 306186635 /nfs/dbraw/zinc/18/66/35/306186635.db2.gz ZKVDZHVFBVPLLS-UHFFFAOYSA-N 1 1 330.392 1.625 20 5 EDBDMO C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000554840201 306198669 /nfs/dbraw/zinc/19/86/69/306198669.db2.gz YCVDVWIEKYCYOJ-VIFPVBQESA-N 1 1 335.389 1.556 20 5 EDBDMO C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000554840201 306198670 /nfs/dbraw/zinc/19/86/70/306198670.db2.gz YCVDVWIEKYCYOJ-VIFPVBQESA-N 1 1 335.389 1.556 20 5 EDBDMO COc1ccc(NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000415434757 447435549 /nfs/dbraw/zinc/43/55/49/447435549.db2.gz HXULGNVCCUXKSP-CQSZACIVSA-N 1 1 326.328 1.769 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000046035058 441071237 /nfs/dbraw/zinc/07/12/37/441071237.db2.gz OWKBCCBTAFHOJG-GFCCVEGCSA-N 1 1 327.406 1.605 20 5 EDBDMO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000070076723 441109958 /nfs/dbraw/zinc/10/99/58/441109958.db2.gz PVRGWLMEFVHDJM-IUCAKERBSA-N 1 1 333.797 1.619 20 5 EDBDMO CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000080266571 441155702 /nfs/dbraw/zinc/15/57/02/441155702.db2.gz QXEBCXQFJAMXPV-UHFFFAOYSA-N 1 1 334.376 1.334 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000104748248 441204185 /nfs/dbraw/zinc/20/41/85/441204185.db2.gz GXAAMUOJSLWDCW-NSHDSACASA-N 1 1 343.405 1.176 20 5 EDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000060510955 441248474 /nfs/dbraw/zinc/24/84/74/441248474.db2.gz YLYZUEMNGYNGKA-NSHDSACASA-N 1 1 343.405 1.366 20 5 EDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000060510955 441248477 /nfs/dbraw/zinc/24/84/77/441248477.db2.gz YLYZUEMNGYNGKA-NSHDSACASA-N 1 1 343.405 1.366 20 5 EDBDMO COC(=O)CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000063513291 441334928 /nfs/dbraw/zinc/33/49/28/441334928.db2.gz OQJFEFCBMJMNKI-UHFFFAOYSA-N 1 1 337.376 1.715 20 5 EDBDMO Cn1ccnc1CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000106441684 441343104 /nfs/dbraw/zinc/34/31/04/441343104.db2.gz HNAJIFORKBNHPL-UHFFFAOYSA-N 1 1 329.404 1.689 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000065208354 441407876 /nfs/dbraw/zinc/40/78/76/441407876.db2.gz CQKNGTACZFFEIU-UHFFFAOYSA-N 1 1 329.360 1.586 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029853070 441475059 /nfs/dbraw/zinc/47/50/59/441475059.db2.gz NZOIAOIXIZWFLL-UHFFFAOYSA-N 1 1 331.376 1.773 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1C ZINC000109066933 441487363 /nfs/dbraw/zinc/48/73/63/441487363.db2.gz LFLRQBLNNBJCIQ-RYUDHWBXSA-N 1 1 327.406 1.583 20 5 EDBDMO COC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000114062589 441632203 /nfs/dbraw/zinc/63/22/03/441632203.db2.gz KDAZULVJAJZOIA-SECBINFHSA-N 1 1 343.767 1.928 20 5 EDBDMO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000114062589 441632206 /nfs/dbraw/zinc/63/22/06/441632206.db2.gz KDAZULVJAJZOIA-SECBINFHSA-N 1 1 343.767 1.928 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067571534 441654110 /nfs/dbraw/zinc/65/41/10/441654110.db2.gz VYKRQOLMOFLGNL-OAHLLOKOSA-N 1 1 343.387 1.995 20 5 EDBDMO CCC[N@H+]1CC[C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000091457533 441702460 /nfs/dbraw/zinc/70/24/60/441702460.db2.gz YHVYZVZRSVXDFN-NSHDSACASA-N 1 1 331.376 1.975 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)C2CC2)cc1OC ZINC000067701301 441668871 /nfs/dbraw/zinc/66/88/71/441668871.db2.gz ZQSZQRKRQNBHNJ-UHFFFAOYSA-N 1 1 337.376 1.826 20 5 EDBDMO C[C@](O)(CNc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCOCC1 ZINC000078343434 441921165 /nfs/dbraw/zinc/92/11/65/441921165.db2.gz NEPSWTRBEWYPNM-AWEZNQCLSA-N 1 1 329.784 1.743 20 5 EDBDMO CCn1nc2c(cc1=O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000078615585 441952674 /nfs/dbraw/zinc/95/26/74/441952674.db2.gz WIWYDXQCWGKZLJ-UHFFFAOYSA-N 1 1 344.371 1.609 20 5 EDBDMO C[C@@H]1C[C@H](N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000175100701 442005018 /nfs/dbraw/zinc/00/50/18/442005018.db2.gz MISRNFOVFJBPPN-TZMCWYRMSA-N 1 1 348.403 1.266 20 5 EDBDMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000162553972 442103535 /nfs/dbraw/zinc/10/35/35/442103535.db2.gz QKTCOMCNWFOFJS-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO CCC[NH+]1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000121192927 442189286 /nfs/dbraw/zinc/18/92/86/442189286.db2.gz PRMSJGNARBNAEL-UHFFFAOYSA-N 1 1 348.403 1.704 20 5 EDBDMO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC000176236896 442197571 /nfs/dbraw/zinc/19/75/71/442197571.db2.gz ZOGXTZWXEMROMP-LBPRGKRZSA-N 1 1 330.410 1.081 20 5 EDBDMO CCCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC000176236896 442197575 /nfs/dbraw/zinc/19/75/75/442197575.db2.gz ZOGXTZWXEMROMP-LBPRGKRZSA-N 1 1 330.410 1.081 20 5 EDBDMO C[C@@H](c1cccnc1)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176246153 442200044 /nfs/dbraw/zinc/20/00/44/442200044.db2.gz OUWNFIRPKPKFNQ-AWEZNQCLSA-N 1 1 330.392 1.565 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000153237305 442269605 /nfs/dbraw/zinc/26/96/05/442269605.db2.gz HYOAKNYYMFKDRS-RYUDHWBXSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000153237305 442269608 /nfs/dbraw/zinc/26/96/08/442269608.db2.gz HYOAKNYYMFKDRS-RYUDHWBXSA-N 1 1 337.376 1.777 20 5 EDBDMO CC[C@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000177134064 442302489 /nfs/dbraw/zinc/30/24/89/442302489.db2.gz MJISHNIQJUXCAK-ZDUSSCGKSA-N 1 1 328.756 1.430 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000154313237 442331892 /nfs/dbraw/zinc/33/18/92/442331892.db2.gz PMCQSFUZUHMUIC-AWEZNQCLSA-N 1 1 337.424 1.726 20 5 EDBDMO COC[C@@](C)(CCO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177406483 442337909 /nfs/dbraw/zinc/33/79/09/442337909.db2.gz KDOHGLTVFYVOBU-OAHLLOKOSA-N 1 1 336.348 1.522 20 5 EDBDMO Cc1ccnc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000132630748 442397450 /nfs/dbraw/zinc/39/74/50/442397450.db2.gz JZSPETSYZCLETE-UHFFFAOYSA-N 1 1 343.387 1.282 20 5 EDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CCOCC1 ZINC000156093940 442446691 /nfs/dbraw/zinc/44/66/91/442446691.db2.gz SFXHUEKNLABVEM-UHFFFAOYSA-N 1 1 333.388 1.842 20 5 EDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000180774317 442658213 /nfs/dbraw/zinc/65/82/13/442658213.db2.gz ZIHGCCIBYZXKET-CYBMUJFWSA-N 1 1 348.403 1.361 20 5 EDBDMO CCNc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000158074396 442643496 /nfs/dbraw/zinc/64/34/96/442643496.db2.gz YDVXUYINFSLOIG-IAQYHMDHSA-N 1 1 336.392 1.476 20 5 EDBDMO CCNc1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000158074396 442643501 /nfs/dbraw/zinc/64/35/01/442643501.db2.gz YDVXUYINFSLOIG-IAQYHMDHSA-N 1 1 336.392 1.476 20 5 EDBDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000173264840 442634813 /nfs/dbraw/zinc/63/48/13/442634813.db2.gz ZNGUSMPBSWUJEF-VXGBXAGGSA-N 1 1 327.406 1.698 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000192589762 442666598 /nfs/dbraw/zinc/66/65/98/442666598.db2.gz PXSJZSWHWYVPCL-AWEZNQCLSA-N 1 1 337.424 1.668 20 5 EDBDMO CC[N@H+](Cc1cnn(C)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182229153 442747870 /nfs/dbraw/zinc/74/78/70/442747870.db2.gz YWBVLJUMOUVDTO-AWEZNQCLSA-N 1 1 334.376 1.590 20 5 EDBDMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193578971 442755902 /nfs/dbraw/zinc/75/59/02/442755902.db2.gz WKPJEGXZTGQLBW-LBPRGKRZSA-N 1 1 336.348 1.851 20 5 EDBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193578971 442755904 /nfs/dbraw/zinc/75/59/04/442755904.db2.gz 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COCCC[N@@H+](C)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266442840 443128055 /nfs/dbraw/zinc/12/80/55/443128055.db2.gz AFXZAHBVCRJTFM-UHFFFAOYSA-N 1 1 338.408 1.405 20 5 EDBDMO COc1ccc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000185234332 443167105 /nfs/dbraw/zinc/16/71/05/443167105.db2.gz RGQABPJRIITCQC-UHFFFAOYSA-N 1 1 343.405 1.318 20 5 EDBDMO CC(C)C[C@H](CO)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000185335347 443184353 /nfs/dbraw/zinc/18/43/53/443184353.db2.gz IEXKSAKCDXQOEU-OAHLLOKOSA-N 1 1 335.404 1.823 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000245396089 443222783 /nfs/dbraw/zinc/22/27/83/443222783.db2.gz JWITWBHRQMDJQP-STQMWFEESA-N 1 1 348.403 1.899 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000245396089 443222786 /nfs/dbraw/zinc/22/27/86/443222786.db2.gz JWITWBHRQMDJQP-STQMWFEESA-N 1 1 348.403 1.899 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH+]3CCC2CC3)c1C ZINC000191082847 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331.419 1.734 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000344000572 444719793 /nfs/dbraw/zinc/71/97/93/444719793.db2.gz VGWGZTSLEULYMD-QCQGSNGOSA-N 1 1 333.388 1.933 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000338726260 444822949 /nfs/dbraw/zinc/82/29/49/444822949.db2.gz WNCSXXBQJXIOSZ-NSHDSACASA-N 1 1 345.396 1.744 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000342760633 444853069 /nfs/dbraw/zinc/85/30/69/444853069.db2.gz ZRKAPAYXQDTDRS-KGLIPLIRSA-N 1 1 346.387 1.937 20 5 EDBDMO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000344440264 444972754 /nfs/dbraw/zinc/97/27/54/444972754.db2.gz MTGKOTPZEMSGLZ-GFCCVEGCSA-N 1 1 338.383 1.347 20 5 EDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000330586565 445048824 /nfs/dbraw/zinc/04/88/24/445048824.db2.gz LRKFIMVXSVLZSU-STQMWFEESA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000330586565 445048829 /nfs/dbraw/zinc/04/88/29/445048829.db2.gz LRKFIMVXSVLZSU-STQMWFEESA-N 1 1 343.387 1.945 20 5 EDBDMO COc1cc(OCC(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330598356 445054101 /nfs/dbraw/zinc/05/41/01/445054101.db2.gz SVBALYVUWCYYDG-NWDGAFQWSA-N 1 1 337.376 1.533 20 5 EDBDMO COC(=O)c1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000330606004 445057825 /nfs/dbraw/zinc/05/78/25/445057825.db2.gz ZRCLSTHLUGBLTG-MNOVXSKESA-N 1 1 335.360 1.546 20 5 EDBDMO COC(=O)c1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000330606004 445057831 /nfs/dbraw/zinc/05/78/31/445057831.db2.gz ZRCLSTHLUGBLTG-MNOVXSKESA-N 1 1 335.360 1.546 20 5 EDBDMO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000330815076 445151694 /nfs/dbraw/zinc/15/16/94/445151694.db2.gz LYHIIGWYOUSCOR-OLZOCXBDSA-N 1 1 341.433 1.839 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000330815076 445151695 /nfs/dbraw/zinc/15/16/95/445151695.db2.gz LYHIIGWYOUSCOR-OLZOCXBDSA-N 1 1 341.433 1.839 20 5 EDBDMO C[C@@H]1[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343533196 445239761 /nfs/dbraw/zinc/23/97/61/445239761.db2.gz MVOPCPQVQPGAKZ-DOMZBBRYSA-N 1 1 348.403 1.314 20 5 EDBDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000343516063 445237112 /nfs/dbraw/zinc/23/71/12/445237112.db2.gz KNARYAXHPDIJDN-JQWIXIFHSA-N 1 1 337.376 1.825 20 5 EDBDMO COc1ccc(NC(=O)[C@@H](C)N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000354503116 445267061 /nfs/dbraw/zinc/26/70/61/445267061.db2.gz POEPNDCVDGGWRH-GFCCVEGCSA-N 1 1 336.392 1.568 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000354484361 445257583 /nfs/dbraw/zinc/25/75/83/445257583.db2.gz CTWZBAUDYOKNTJ-LBPRGKRZSA-N 1 1 341.433 1.872 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000354484361 445257586 /nfs/dbraw/zinc/25/75/86/445257586.db2.gz CTWZBAUDYOKNTJ-LBPRGKRZSA-N 1 1 341.433 1.872 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000354493674 445262213 /nfs/dbraw/zinc/26/22/13/445262213.db2.gz JZKHUCQMKHYDDW-GFCCVEGCSA-N 1 1 327.406 1.618 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000354493674 445262215 /nfs/dbraw/zinc/26/22/15/445262215.db2.gz JZKHUCQMKHYDDW-GFCCVEGCSA-N 1 1 327.406 1.618 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000362395335 445358593 /nfs/dbraw/zinc/35/85/93/445358593.db2.gz ISHYCVCCBZGXAJ-CYBMUJFWSA-N 1 1 344.375 1.355 20 5 EDBDMO O=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000362395335 445358596 /nfs/dbraw/zinc/35/85/96/445358596.db2.gz ISHYCVCCBZGXAJ-CYBMUJFWSA-N 1 1 344.375 1.355 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000362395335 445358598 /nfs/dbraw/zinc/35/85/98/445358598.db2.gz ISHYCVCCBZGXAJ-CYBMUJFWSA-N 1 1 344.375 1.355 20 5 EDBDMO O=[N+]([O-])c1cnccc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000357049576 445394772 /nfs/dbraw/zinc/39/47/72/445394772.db2.gz YWLCYDAELWARRN-UHFFFAOYSA-N 1 1 328.372 1.856 20 5 EDBDMO CN(C)S(=O)(=O)c1ccc(NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000357201247 445478539 /nfs/dbraw/zinc/47/85/39/445478539.db2.gz PCUKWNJNJGCGTK-UHFFFAOYSA-N 1 1 342.421 1.351 20 5 EDBDMO COC(=O)C[C@H]1CSCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000355968587 445550268 /nfs/dbraw/zinc/55/02/68/445550268.db2.gz JCDWNYPCNLROPP-ZDUSSCGKSA-N 1 1 340.401 1.954 20 5 EDBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352893314 445562902 /nfs/dbraw/zinc/56/29/02/445562902.db2.gz NQMSCROCCABLDH-JSGCOSHPSA-N 1 1 345.403 1.766 20 5 EDBDMO C[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC[N@H+]1C ZINC000360114022 445574447 /nfs/dbraw/zinc/57/44/47/445574447.db2.gz TXZANXWIOAIECQ-ZJUUUORDSA-N 1 1 328.394 1.137 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000360135361 445587599 /nfs/dbraw/zinc/58/75/99/445587599.db2.gz PQOWGGLCZZKXDB-GFCCVEGCSA-N 1 1 337.376 1.762 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000349713545 445653342 /nfs/dbraw/zinc/65/33/42/445653342.db2.gz LHBKYQIKAVVRNE-LBPRGKRZSA-N 1 1 338.383 1.490 20 5 EDBDMO O=C(c1ccoc1)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000363042219 445658103 /nfs/dbraw/zinc/65/81/03/445658103.db2.gz GZFVMVIXJOCPMX-UHFFFAOYSA-N 1 1 333.348 1.232 20 5 EDBDMO O=C(c1ccoc1)N1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000363042219 445658107 /nfs/dbraw/zinc/65/81/07/445658107.db2.gz GZFVMVIXJOCPMX-UHFFFAOYSA-N 1 1 333.348 1.232 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000360324086 445694441 /nfs/dbraw/zinc/69/44/41/445694441.db2.gz SSWYCWOYTQSLKL-GDBMZVCRSA-N 1 1 331.376 1.112 20 5 EDBDMO CC(C)OCC[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000349857564 445702071 /nfs/dbraw/zinc/70/20/71/445702071.db2.gz VJXMPULSMPWAFL-HIFRSBDPSA-N 1 1 338.408 1.652 20 5 EDBDMO COCc1nccc([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000363172634 445707067 /nfs/dbraw/zinc/70/70/67/445707067.db2.gz QGSREOLWRNCYDZ-ZDUSSCGKSA-N 1 1 346.391 1.607 20 5 EDBDMO COCCn1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000353697599 445713612 /nfs/dbraw/zinc/71/36/12/445713612.db2.gz IAYWESBQKKIRIV-AWEZNQCLSA-N 1 1 346.391 1.519 20 5 EDBDMO COCCn1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000353697599 445713616 /nfs/dbraw/zinc/71/36/16/445713616.db2.gz IAYWESBQKKIRIV-AWEZNQCLSA-N 1 1 346.391 1.519 20 5 EDBDMO C[N@@H+](CCO)C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000349889224 445713733 /nfs/dbraw/zinc/71/37/33/445713733.db2.gz AMEDHQZEPFWPIM-UHFFFAOYSA-N 1 1 347.375 1.538 20 5 EDBDMO CCOC(=O)c1ccnc(N2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000363241302 445737017 /nfs/dbraw/zinc/73/70/17/445737017.db2.gz GYPGSXMLPOIJFQ-LBPRGKRZSA-N 1 1 334.376 1.841 20 5 EDBDMO O=[N+]([O-])c1ccc2c(c1)CN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC000353962314 445829996 /nfs/dbraw/zinc/82/99/96/445829996.db2.gz RGPPRVDWLQTLDC-UHFFFAOYSA-N 1 1 341.371 1.784 20 5 EDBDMO C[C@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1N(C)C ZINC000358837410 445802873 /nfs/dbraw/zinc/80/28/73/445802873.db2.gz XRFPWSLOVAGVFP-SWLSCSKDSA-N 1 1 348.403 1.775 20 5 EDBDMO C[C@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1N(C)C ZINC000358837410 445802879 /nfs/dbraw/zinc/80/28/79/445802879.db2.gz XRFPWSLOVAGVFP-SWLSCSKDSA-N 1 1 348.403 1.775 20 5 EDBDMO COc1c(C(=O)N2CCC([N@@H+](C)CCO)CC2)cccc1[N+](=O)[O-] ZINC000356545777 445852417 /nfs/dbraw/zinc/85/24/17/445852417.db2.gz HTADKEYKLPBZDH-UHFFFAOYSA-N 1 1 337.376 1.132 20 5 EDBDMO O=C(C[N@@H+]1CC[C@]2(CCOC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000365997356 445952374 /nfs/dbraw/zinc/95/23/74/445952374.db2.gz VTKGVCMMLZVAAF-INIZCTEOSA-N 1 1 349.343 1.374 20 5 EDBDMO O=C(C[N@H+]1CC[C@]2(CCOC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000365997356 445952378 /nfs/dbraw/zinc/95/23/78/445952378.db2.gz VTKGVCMMLZVAAF-INIZCTEOSA-N 1 1 349.343 1.374 20 5 EDBDMO Cc1ccnc(N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000361829544 445986645 /nfs/dbraw/zinc/98/66/45/445986645.db2.gz HWLXVRXHSBQKDG-CQSZACIVSA-N 1 1 347.419 1.289 20 5 EDBDMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000584236562 326226827 /nfs/dbraw/zinc/22/68/27/326226827.db2.gz MSTRGUPIROAGJA-UHFFFAOYSA-N 1 1 346.391 1.317 20 5 EDBDMO CCC[N@@H+](C)CC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000359239082 446070194 /nfs/dbraw/zinc/07/01/94/446070194.db2.gz FWILXAJDHVDBDU-UHFFFAOYSA-N 1 1 339.392 1.613 20 5 EDBDMO Cc1cc(CNC(=O)c2c([N+](=O)[O-])cnn2C)cc(N2CCCC2)[nH+]1 ZINC000356942922 446144514 /nfs/dbraw/zinc/14/45/14/446144514.db2.gz ZBDKDSGNGDWYAT-UHFFFAOYSA-N 1 1 344.375 1.562 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCc3nn[nH]c3C2)cccc1[N+](=O)[O-] ZINC000351617906 446211944 /nfs/dbraw/zinc/21/19/44/446211944.db2.gz FEZDKZZQYAMRPV-UHFFFAOYSA-N 1 1 330.348 1.408 20 5 EDBDMO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000362110326 446219628 /nfs/dbraw/zinc/21/96/28/446219628.db2.gz ROAOCYPIVGRJDQ-HNNXBMFYSA-N 1 1 328.340 1.916 20 5 EDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000366586141 446270576 /nfs/dbraw/zinc/27/05/76/446270576.db2.gz HSNMAQPQSCTGEQ-DYVFJYSZSA-N 1 1 349.387 1.803 20 5 EDBDMO CCCC(=O)N1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000366618947 446283460 /nfs/dbraw/zinc/28/34/60/446283460.db2.gz CUYQCHQQFJOGTJ-MRXNPFEDSA-N 1 1 335.404 1.963 20 5 EDBDMO CCCC(=O)N1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000366618947 446283463 /nfs/dbraw/zinc/28/34/63/446283463.db2.gz CUYQCHQQFJOGTJ-MRXNPFEDSA-N 1 1 335.404 1.963 20 5 EDBDMO COc1ccc(OCC[N@@H+](C)[C@@]2(CO)CCOC2)c([N+](=O)[O-])c1 ZINC000359577109 446300860 /nfs/dbraw/zinc/30/08/60/446300860.db2.gz GHYLISCGKDMXMU-OAHLLOKOSA-N 1 1 326.349 1.065 20 5 EDBDMO O=C(C[NH2+][C@@H](CO)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000359619240 446323170 /nfs/dbraw/zinc/32/31/70/446323170.db2.gz SNJLJBHGAPLIND-AWEZNQCLSA-N 1 1 333.319 1.996 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000374071184 446350357 /nfs/dbraw/zinc/35/03/57/446350357.db2.gz YCLQEYNJULMRSU-LZWOXQAQSA-N 1 1 336.388 1.835 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2noc(NC[C@@H]3CC[NH2+]CC3(F)F)n2)cc1 ZINC000420272193 446443860 /nfs/dbraw/zinc/44/38/60/446443860.db2.gz DEBROVFDQYZBEL-JTQLQIEISA-N 1 1 339.302 2.302 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000376481770 446524512 /nfs/dbraw/zinc/52/45/12/446524512.db2.gz MHZJWMDSZKXJAV-UONOGXRCSA-N 1 1 346.387 1.585 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375041452 446535257 /nfs/dbraw/zinc/53/52/57/446535257.db2.gz QJNBUUVVAWARIF-CZUORRHYSA-N 1 1 332.404 1.949 20 5 EDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420435020 446609725 /nfs/dbraw/zinc/60/97/25/446609725.db2.gz LOFLEOFHILIVRJ-OAHLLOKOSA-N 1 1 341.433 1.541 20 5 EDBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411665967 446638617 /nfs/dbraw/zinc/63/86/17/446638617.db2.gz UIFYHPAEJZBSIY-WFASDCNBSA-N 1 1 337.376 1.395 20 5 EDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420579684 446687653 /nfs/dbraw/zinc/68/76/53/446687653.db2.gz BLPMQKZOBMXMNL-ZDUSSCGKSA-N 1 1 349.435 1.379 20 5 EDBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3c[nH]c4nccnc34)C2)c1 ZINC000368227401 446722296 /nfs/dbraw/zinc/72/22/96/446722296.db2.gz QTJPBOPWCVLRSC-LBPRGKRZSA-N 1 1 327.348 1.851 20 5 EDBDMO O=C(NC[C@H]1CCC[N@H+]1CCc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000371301036 446756460 /nfs/dbraw/zinc/75/64/60/446756460.db2.gz CUFDOLGKYZVUIV-CQSZACIVSA-N 1 1 343.387 1.755 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000371301036 446756466 /nfs/dbraw/zinc/75/64/66/446756466.db2.gz CUFDOLGKYZVUIV-CQSZACIVSA-N 1 1 343.387 1.755 20 5 EDBDMO O=C(NC[C@H]1CCC[N@H+]1CCc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000371301036 446756469 /nfs/dbraw/zinc/75/64/69/446756469.db2.gz CUFDOLGKYZVUIV-CQSZACIVSA-N 1 1 343.387 1.755 20 5 EDBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3)C2)c1 ZINC000375389428 446764174 /nfs/dbraw/zinc/76/41/74/446764174.db2.gz GKTZAUQHJGWDKD-GOEBONIOSA-N 1 1 346.387 1.868 20 5 EDBDMO O=C(NCC[N@H+]1CCCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000437912157 446772749 /nfs/dbraw/zinc/77/27/49/446772749.db2.gz BFDLCQKFVGAPBE-UHFFFAOYSA-N 1 1 326.328 1.578 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411981685 446773453 /nfs/dbraw/zinc/77/34/53/446773453.db2.gz ORWBPKOOUOTIFE-YESZJQIVSA-N 1 1 347.415 1.925 20 5 EDBDMO O=C(CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)NC1CCCC1 ZINC000375405626 446778054 /nfs/dbraw/zinc/77/80/54/446778054.db2.gz RUBAQACVPXYXFS-CQSZACIVSA-N 1 1 335.408 1.877 20 5 EDBDMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000371368087 446811028 /nfs/dbraw/zinc/81/10/28/446811028.db2.gz FCHZERZDVPOIEW-KRWDZBQOSA-N 1 1 344.415 1.476 20 5 EDBDMO CC1(CN2CCOCC2)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000371371155 446812900 /nfs/dbraw/zinc/81/29/00/446812900.db2.gz AOEHCSMCMIOBAH-UHFFFAOYSA-N 1 1 337.424 1.226 20 5 EDBDMO CC(C)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCC(=O)N1 ZINC000412069061 446831037 /nfs/dbraw/zinc/83/10/37/446831037.db2.gz GJCVXPLIIJRZFL-AWEZNQCLSA-N 1 1 349.387 1.950 20 5 EDBDMO O=C1COc2cc([N+](=O)[O-])c(NC[C@@H]3C[N@@H+](C4CC4)CCO3)cc2N1 ZINC000368458921 446876279 /nfs/dbraw/zinc/87/62/79/446876279.db2.gz SKUDRINOTUBXDJ-LLVKDONJSA-N 1 1 348.359 1.201 20 5 EDBDMO O=C1COc2cc([N+](=O)[O-])c(NC[C@@H]3C[N@H+](C4CC4)CCO3)cc2N1 ZINC000368458921 446876284 /nfs/dbraw/zinc/87/62/84/446876284.db2.gz SKUDRINOTUBXDJ-LLVKDONJSA-N 1 1 348.359 1.201 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@@]12CCOC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000368505480 446905750 /nfs/dbraw/zinc/90/57/50/446905750.db2.gz VUOHIDYRSUWNOL-KRWDZBQOSA-N 1 1 331.372 1.739 20 5 EDBDMO O=C(C[N@H+]1CCC[C@@]12CCOC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000368505480 446905755 /nfs/dbraw/zinc/90/57/55/446905755.db2.gz VUOHIDYRSUWNOL-KRWDZBQOSA-N 1 1 331.372 1.739 20 5 EDBDMO CC[N@@H+](CCOc1ccccc1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000420970576 446941651 /nfs/dbraw/zinc/94/16/51/446941651.db2.gz FWLJICGOTFBBBR-MRXNPFEDSA-N 1 1 348.403 1.862 20 5 EDBDMO O=C(CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000375740711 447014699 /nfs/dbraw/zinc/01/46/99/447014699.db2.gz GHIHEFAAHGCJBX-CVEARBPZSA-N 1 1 349.387 1.803 20 5 EDBDMO O=C(CC[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000375740711 447014711 /nfs/dbraw/zinc/01/47/11/447014711.db2.gz GHIHEFAAHGCJBX-CVEARBPZSA-N 1 1 349.387 1.803 20 5 EDBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000443310165 447031772 /nfs/dbraw/zinc/03/17/72/447031772.db2.gz ODXKHTHSBDIFEG-HOSILWTGSA-N 1 1 338.404 1.816 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000421295136 447108360 /nfs/dbraw/zinc/10/83/60/447108360.db2.gz HQVXCSOVHVOUFR-GFCCVEGCSA-N 1 1 338.339 1.225 20 5 EDBDMO C[NH+](C)Cc1cc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)no1 ZINC000444641683 447113500 /nfs/dbraw/zinc/11/35/00/447113500.db2.gz GPRRHWYJNDEKNE-UHFFFAOYSA-N 1 1 344.331 1.451 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368803690 447118339 /nfs/dbraw/zinc/11/83/39/447118339.db2.gz YAUQUKKUPURTAZ-CQSZACIVSA-N 1 1 334.376 1.593 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368803690 447118345 /nfs/dbraw/zinc/11/83/45/447118345.db2.gz YAUQUKKUPURTAZ-CQSZACIVSA-N 1 1 334.376 1.593 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000368904773 447192639 /nfs/dbraw/zinc/19/26/39/447192639.db2.gz WAZWLDYKQSRTOO-UHFFFAOYSA-N 1 1 334.420 1.940 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000368904773 447192647 /nfs/dbraw/zinc/19/26/47/447192647.db2.gz WAZWLDYKQSRTOO-UHFFFAOYSA-N 1 1 334.420 1.940 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425519507 447206877 /nfs/dbraw/zinc/20/68/77/447206877.db2.gz XAKPFJAILFVJNA-KGLIPLIRSA-N 1 1 347.375 1.263 20 5 EDBDMO CN(C(=O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000425547998 447223553 /nfs/dbraw/zinc/22/35/53/447223553.db2.gz MVOKZFCJFLTTET-NSHDSACASA-N 1 1 330.348 1.165 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425547971 447224466 /nfs/dbraw/zinc/22/44/66/447224466.db2.gz MSNVULNPGPDSIM-GFCCVEGCSA-N 1 1 344.375 1.839 20 5 EDBDMO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1O ZINC000446066807 447226594 /nfs/dbraw/zinc/22/65/94/447226594.db2.gz AFDUQDLLAPJEAC-OAHLLOKOSA-N 1 1 333.388 1.577 20 5 EDBDMO CC1(C)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1O ZINC000446066807 447226601 /nfs/dbraw/zinc/22/66/01/447226601.db2.gz AFDUQDLLAPJEAC-OAHLLOKOSA-N 1 1 333.388 1.577 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000421707738 447227227 /nfs/dbraw/zinc/22/72/27/447227227.db2.gz YFVLHPHTIYYTLV-CQSZACIVSA-N 1 1 349.387 1.938 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000377660088 447278012 /nfs/dbraw/zinc/27/80/12/447278012.db2.gz SVFJAOQTTCKBEN-CZUORRHYSA-N 1 1 335.404 1.898 20 5 EDBDMO O=C1C[NH2+]CCN1[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000420235278 447681669 /nfs/dbraw/zinc/68/16/69/447681669.db2.gz HOBUTXXJOBIJLI-LLVKDONJSA-N 1 1 339.783 1.044 20 5 EDBDMO CC1(C)CCC[N@H+]1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000452085915 447814238 /nfs/dbraw/zinc/81/42/38/447814238.db2.gz KWUUAHFACZBBHP-UHFFFAOYSA-N 1 1 341.433 1.889 20 5 EDBDMO COC[C@@]1(CO)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451926085 447785696 /nfs/dbraw/zinc/78/56/96/447785696.db2.gz HJHASKAFQSMEBL-WBVHZDCISA-N 1 1 349.387 1.031 20 5 EDBDMO COC[C@@]1(CO)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451926085 447785698 /nfs/dbraw/zinc/78/56/98/447785698.db2.gz HJHASKAFQSMEBL-WBVHZDCISA-N 1 1 349.387 1.031 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431022936 447789884 /nfs/dbraw/zinc/78/98/84/447789884.db2.gz PLNBFJIDZZZYKC-CYBMUJFWSA-N 1 1 332.404 1.997 20 5 EDBDMO C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525275483 447986458 /nfs/dbraw/zinc/98/64/58/447986458.db2.gz QFDZXOCMPIJFGX-AWEZNQCLSA-N 1 1 348.359 1.055 20 5 EDBDMO O=c1[nH]c(NC[C@@H]2CC[N@H+](C3CC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000557521037 448184791 /nfs/dbraw/zinc/18/47/91/448184791.db2.gz MCXWDBUPFRBCGU-JTQLQIEISA-N 1 1 329.360 2.140 20 5 EDBDMO CN(c1ncc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000591147027 448272448 /nfs/dbraw/zinc/27/24/48/448272448.db2.gz BTELLABTCKOESJ-CYBMUJFWSA-N 1 1 337.399 1.734 20 5 EDBDMO CN(c1ncc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000591147027 448272453 /nfs/dbraw/zinc/27/24/53/448272453.db2.gz BTELLABTCKOESJ-CYBMUJFWSA-N 1 1 337.399 1.734 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000591529190 448382615 /nfs/dbraw/zinc/38/26/15/448382615.db2.gz BEWAQMWBXHEEDW-RDJZCZTQSA-N 1 1 347.415 1.883 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000591726506 448473711 /nfs/dbraw/zinc/47/37/11/448473711.db2.gz ANGNTQKGJWSYRV-SOUVJXGZSA-N 1 1 335.404 1.551 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000591726506 448473719 /nfs/dbraw/zinc/47/37/19/448473719.db2.gz ANGNTQKGJWSYRV-SOUVJXGZSA-N 1 1 335.404 1.551 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000591726504 448474256 /nfs/dbraw/zinc/47/42/56/448474256.db2.gz ANGNTQKGJWSYRV-RBSFLKMASA-N 1 1 335.404 1.551 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000591726504 448474260 /nfs/dbraw/zinc/47/42/60/448474260.db2.gz ANGNTQKGJWSYRV-RBSFLKMASA-N 1 1 335.404 1.551 20 5 EDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CCCC1 ZINC000517833170 448622117 /nfs/dbraw/zinc/62/21/17/448622117.db2.gz RFMFZUUOWHTRDE-UHFFFAOYSA-N 1 1 349.387 1.970 20 5 EDBDMO Cn1c2cc(NC[C@@H]3CCC[N@@H+](C)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587973676 448849588 /nfs/dbraw/zinc/84/95/88/448849588.db2.gz LNRSGLGLDHCYGM-NSHDSACASA-N 1 1 333.392 1.539 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ncc(-c3ccccc3)o2)c1 ZINC000579704061 448856638 /nfs/dbraw/zinc/85/66/38/448856638.db2.gz WKZKFDXWPDRCGJ-CQSZACIVSA-N 1 1 343.343 1.597 20 5 EDBDMO C[C@@H](C(=O)NCCC[N@@H+](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000589057202 448963324 /nfs/dbraw/zinc/96/33/24/448963324.db2.gz WATAVZMZRBHCMW-CQSZACIVSA-N 1 1 336.436 1.698 20 5 EDBDMO C[C@@H](C(=O)NCCCN(C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000589057202 448963328 /nfs/dbraw/zinc/96/33/28/448963328.db2.gz WATAVZMZRBHCMW-CQSZACIVSA-N 1 1 336.436 1.698 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588864068 448942788 /nfs/dbraw/zinc/94/27/88/448942788.db2.gz ZYSUEAJYXOVWFL-CVEARBPZSA-N 1 1 333.388 1.195 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2CC(N)=O)c1 ZINC000589497559 449025971 /nfs/dbraw/zinc/02/59/71/449025971.db2.gz LPIHILMNEPYVTE-CYBMUJFWSA-N 1 1 335.360 1.611 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000582355356 449072652 /nfs/dbraw/zinc/07/26/52/449072652.db2.gz HTQCZDILJMDVFB-GOEBONIOSA-N 1 1 349.431 1.941 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000582355356 449072655 /nfs/dbraw/zinc/07/26/55/449072655.db2.gz HTQCZDILJMDVFB-GOEBONIOSA-N 1 1 349.431 1.941 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000522106880 449050847 /nfs/dbraw/zinc/05/08/47/449050847.db2.gz JGCCGGGQNCNZRH-NSHDSACASA-N 1 1 342.421 1.384 20 5 EDBDMO C[C@@H](CO)C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593083643 449127174 /nfs/dbraw/zinc/12/71/74/449127174.db2.gz KDZGLIRCQMPGBS-ZDUSSCGKSA-N 1 1 347.415 1.824 20 5 EDBDMO COc1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000595729521 449134441 /nfs/dbraw/zinc/13/44/41/449134441.db2.gz SXLFYDVLXSMZRG-GWCFXTLKSA-N 1 1 337.351 1.843 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000595729521 449134443 /nfs/dbraw/zinc/13/44/43/449134443.db2.gz SXLFYDVLXSMZRG-GWCFXTLKSA-N 1 1 337.351 1.843 20 5 EDBDMO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593578545 449086711 /nfs/dbraw/zinc/08/67/11/449086711.db2.gz NGCKFMMFTXBGNX-LLVKDONJSA-N 1 1 328.394 1.141 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@](CO)(OC)C2)c1 ZINC000595660697 449102794 /nfs/dbraw/zinc/10/27/94/449102794.db2.gz URKVWDWPPVMZJE-INIZCTEOSA-N 1 1 338.360 1.355 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@](CO)(OC)C2)c1 ZINC000595660697 449102799 /nfs/dbraw/zinc/10/27/99/449102799.db2.gz URKVWDWPPVMZJE-INIZCTEOSA-N 1 1 338.360 1.355 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](CCO)[C@H]2CCO[C@H]2C)c1 ZINC000593028358 449107783 /nfs/dbraw/zinc/10/77/83/449107783.db2.gz BSSKIWFFGCNBAB-FZMZJTMJSA-N 1 1 338.360 1.353 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c1 ZINC000593028358 449107789 /nfs/dbraw/zinc/10/77/89/449107789.db2.gz BSSKIWFFGCNBAB-FZMZJTMJSA-N 1 1 338.360 1.353 20 5 EDBDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593046604 449112578 /nfs/dbraw/zinc/11/25/78/449112578.db2.gz PPFZWJDYTLSWBU-SJORKVTESA-N 1 1 348.378 1.955 20 5 EDBDMO CCOc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000590440681 449161211 /nfs/dbraw/zinc/16/12/11/449161211.db2.gz ARBWJXDIURLKNM-SMDDNHRTSA-N 1 1 349.387 1.778 20 5 EDBDMO COc1cc(C(=O)NC2CC([NH+]3CCOCC3)C2)cc([N+](=O)[O-])c1C ZINC000600066185 449167757 /nfs/dbraw/zinc/16/77/57/449167757.db2.gz HJQWERGKTNEEHI-UHFFFAOYSA-N 1 1 349.387 1.505 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611100976 449168205 /nfs/dbraw/zinc/16/82/05/449168205.db2.gz VIZLIFRYWWUPNQ-LBPRGKRZSA-N 1 1 334.376 1.394 20 5 EDBDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611100976 449168208 /nfs/dbraw/zinc/16/82/08/449168208.db2.gz VIZLIFRYWWUPNQ-LBPRGKRZSA-N 1 1 334.376 1.394 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1COCCO1 ZINC000595736586 449138581 /nfs/dbraw/zinc/13/85/81/449138581.db2.gz MTOKGGSYEYWVCU-AWEZNQCLSA-N 1 1 337.376 1.579 20 5 EDBDMO COc1ccc(OCC[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595741435 449141776 /nfs/dbraw/zinc/14/17/76/449141776.db2.gz NWLKPZVIXNADSL-GXTWGEPZSA-N 1 1 349.387 1.583 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000590398804 449147176 /nfs/dbraw/zinc/14/71/76/449147176.db2.gz ALQYRPYICSMIEH-JKSUJKDBSA-N 1 1 349.387 1.295 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595753294 449148401 /nfs/dbraw/zinc/14/84/01/449148401.db2.gz YLHHTXRUQFPNPL-WBVHZDCISA-N 1 1 336.388 1.571 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000590400538 449148617 /nfs/dbraw/zinc/14/86/17/449148617.db2.gz WADKIRSAYKUDFE-JKSUJKDBSA-N 1 1 333.388 1.459 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595759000 449151464 /nfs/dbraw/zinc/15/14/64/449151464.db2.gz OKISOHPXZLEQMF-SJKOYZFVSA-N 1 1 349.387 1.900 20 5 EDBDMO CN(CC(=O)N1CC[NH+](CCCF)CC1)c1ccccc1[N+](=O)[O-] ZINC000600077041 449175578 /nfs/dbraw/zinc/17/55/78/449175578.db2.gz UWOLYUCQDYUBQO-UHFFFAOYSA-N 1 1 338.383 1.535 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595834998 449198371 /nfs/dbraw/zinc/19/83/71/449198371.db2.gz UBHIKDANZHYTRI-RYUDHWBXSA-N 1 1 335.360 1.510 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595834998 449198377 /nfs/dbraw/zinc/19/83/77/449198377.db2.gz UBHIKDANZHYTRI-RYUDHWBXSA-N 1 1 335.360 1.510 20 5 EDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000590557795 449190576 /nfs/dbraw/zinc/19/05/76/449190576.db2.gz KAYMESJRDLIBPB-UHFFFAOYSA-N 1 1 349.387 1.398 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000590563996 449193884 /nfs/dbraw/zinc/19/38/84/449193884.db2.gz BJZFLWRDZHWMCF-JKSUJKDBSA-N 1 1 333.388 1.459 20 5 EDBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000590631906 449229247 /nfs/dbraw/zinc/22/92/47/449229247.db2.gz HGGNVMYSMCOKFB-LBPRGKRZSA-N 1 1 329.360 1.809 20 5 EDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000611462218 449297820 /nfs/dbraw/zinc/29/78/20/449297820.db2.gz DCVMKNXWUSEPIA-CYBMUJFWSA-N 1 1 348.403 1.208 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000611462218 449297825 /nfs/dbraw/zinc/29/78/25/449297825.db2.gz DCVMKNXWUSEPIA-CYBMUJFWSA-N 1 1 348.403 1.208 20 5 EDBDMO O=C(C[N@@H+]1CCCCC[C@@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000594016846 449324000 /nfs/dbraw/zinc/32/40/00/449324000.db2.gz LKZODWKUHWUGAP-OAHLLOKOSA-N 1 1 333.388 1.721 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000598452515 449402454 /nfs/dbraw/zinc/40/24/54/449402454.db2.gz LHQNXZCCUWRFFJ-CYBMUJFWSA-N 1 1 349.387 1.275 20 5 EDBDMO Cc1c(CC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000598452483 449402560 /nfs/dbraw/zinc/40/25/60/449402560.db2.gz KCNSVESYUSHNKY-MRXNPFEDSA-N 1 1 347.415 1.503 20 5 EDBDMO Cc1cccc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598453183 449403768 /nfs/dbraw/zinc/40/37/68/449403768.db2.gz PRRVIDKUUYRDPE-CQSZACIVSA-N 1 1 333.388 1.574 20 5 EDBDMO Cc1ccc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000598454658 449404098 /nfs/dbraw/zinc/40/40/98/449404098.db2.gz XRDTYOKVAPRABJ-HNNXBMFYSA-N 1 1 333.388 1.574 20 5 EDBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000596192622 449405828 /nfs/dbraw/zinc/40/58/28/449405828.db2.gz FWSGZLANEFJWFF-JTQLQIEISA-N 1 1 342.193 1.878 20 5 EDBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000596192622 449405830 /nfs/dbraw/zinc/40/58/30/449405830.db2.gz FWSGZLANEFJWFF-JTQLQIEISA-N 1 1 342.193 1.878 20 5 EDBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ncnc1N1CCOCC1 ZINC000598590575 449480082 /nfs/dbraw/zinc/48/00/82/449480082.db2.gz PACICIUKIINXQN-OLZOCXBDSA-N 1 1 348.407 1.260 20 5 EDBDMO C[C@@H](CN(C)CCC[NH+](C)C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596359616 449481844 /nfs/dbraw/zinc/48/18/44/449481844.db2.gz CWBNGZMABFJXJS-LBPRGKRZSA-N 1 1 339.440 1.353 20 5 EDBDMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000598600009 449484779 /nfs/dbraw/zinc/48/47/79/449484779.db2.gz LYYMGYNRVXVTNS-UHFFFAOYSA-N 1 1 327.406 1.584 20 5 EDBDMO CC1(C)Cc2n[nH]cc2C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000596597666 449567798 /nfs/dbraw/zinc/56/77/98/449567798.db2.gz WTAFQZGEYVZKHU-UHFFFAOYSA-N 1 1 331.376 1.564 20 5 EDBDMO CC(C)Oc1nc(NCc2c[nH+]c(N(C)C)n2C)ccc1[N+](=O)[O-] ZINC000594556154 449574952 /nfs/dbraw/zinc/57/49/52/449574952.db2.gz RFLVPQQKGBWSSA-UHFFFAOYSA-N 1 1 334.380 2.189 20 5 EDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600808448 449555950 /nfs/dbraw/zinc/55/59/50/449555950.db2.gz OQTHBUSEBBFXPA-JTQLQIEISA-N 1 1 347.293 1.410 20 5 EDBDMO CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@H+]1C ZINC000600939934 449602888 /nfs/dbraw/zinc/60/28/88/449602888.db2.gz LNSQPHKMKPOCSX-LSDHHAIUSA-N 1 1 346.431 1.974 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2nc(CNCC[N@H+]3CC[C@H](O)C3)cs2)c1 ZINC000599019216 449699754 /nfs/dbraw/zinc/69/97/54/449699754.db2.gz RQQWOLWSNUCQQK-HNNXBMFYSA-N 1 1 348.428 1.875 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2nc(CNCC[N@@H+]3CC[C@H](O)C3)cs2)c1 ZINC000599019216 449699756 /nfs/dbraw/zinc/69/97/56/449699756.db2.gz RQQWOLWSNUCQQK-HNNXBMFYSA-N 1 1 348.428 1.875 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)C1 ZINC000602647382 449727518 /nfs/dbraw/zinc/72/75/18/449727518.db2.gz HVYFJIGOFFJMAH-VXGBXAGGSA-N 1 1 334.376 1.623 20 5 EDBDMO C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000612482823 449732739 /nfs/dbraw/zinc/73/27/39/449732739.db2.gz UINQTUMRRAFSSP-ZIBATOQPSA-N 1 1 339.367 1.673 20 5 EDBDMO C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000612482823 449732744 /nfs/dbraw/zinc/73/27/44/449732744.db2.gz UINQTUMRRAFSSP-ZIBATOQPSA-N 1 1 339.367 1.673 20 5 EDBDMO O=[N+]([O-])c1c(N2CCC([NH+]3CCOCC3)CC2)nc2sccn21 ZINC000599102862 449734535 /nfs/dbraw/zinc/73/45/35/449734535.db2.gz GEYQQHWFJAERMJ-UHFFFAOYSA-N 1 1 337.405 1.605 20 5 EDBDMO CNC(=O)CN1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601099884 449689538 /nfs/dbraw/zinc/68/95/38/449689538.db2.gz BISUCPOYMDRKET-UHFFFAOYSA-N 1 1 329.360 1.011 20 5 EDBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601110380 449694806 /nfs/dbraw/zinc/69/48/06/449694806.db2.gz CABGCIPJCFDTDG-GFCCVEGCSA-N 1 1 339.371 1.484 20 5 EDBDMO CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000601302631 449813083 /nfs/dbraw/zinc/81/30/83/449813083.db2.gz STLNTVWNBAKXJW-UHFFFAOYSA-N 1 1 327.406 1.451 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000614822749 449831608 /nfs/dbraw/zinc/83/16/08/449831608.db2.gz SQBXNFZIRNDWNQ-LBPRGKRZSA-N 1 1 345.403 1.819 20 5 EDBDMO COCC[N@H+]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000612611853 449799394 /nfs/dbraw/zinc/79/93/94/449799394.db2.gz OVXSZUYGLUJGNV-NSHDSACASA-N 1 1 340.355 1.966 20 5 EDBDMO CC[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601358699 449872208 /nfs/dbraw/zinc/87/22/08/449872208.db2.gz MMMKBJIJHWYQKD-CMPLNLGQSA-N 1 1 345.396 1.661 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)nc1 ZINC000595109964 449874148 /nfs/dbraw/zinc/87/41/48/449874148.db2.gz YPVQALAPMHLIPR-CQSZACIVSA-N 1 1 348.384 1.325 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000608855923 449945217 /nfs/dbraw/zinc/94/52/17/449945217.db2.gz BSXFNWDSHPHKEL-UHFFFAOYSA-N 1 1 346.431 1.894 20 5 EDBDMO COc1cc(C[N@H+]2C[C@H](OC)C[C@]2(C)CO)c([N+](=O)[O-])cc1F ZINC000602963223 449965795 /nfs/dbraw/zinc/96/57/95/449965795.db2.gz CUERZMHCHWMXCB-IAQYHMDHSA-N 1 1 328.340 1.714 20 5 EDBDMO COc1cc(C[N@@H+]2C[C@H](OC)C[C@]2(C)CO)c([N+](=O)[O-])cc1F ZINC000602963223 449965801 /nfs/dbraw/zinc/96/58/01/449965801.db2.gz CUERZMHCHWMXCB-IAQYHMDHSA-N 1 1 328.340 1.714 20 5 EDBDMO CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000601445832 449969443 /nfs/dbraw/zinc/96/94/43/449969443.db2.gz KYUYUNVLBPGHIG-CQSZACIVSA-N 1 1 325.390 1.310 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609387941 450022035 /nfs/dbraw/zinc/02/20/35/450022035.db2.gz QOEWDNSHLOKMKW-CYBMUJFWSA-N 1 1 339.417 1.666 20 5 EDBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595353357 450067942 /nfs/dbraw/zinc/06/79/42/450067942.db2.gz GTKMHPTXNDSKRE-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO CC1(C)[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000603110044 450073460 /nfs/dbraw/zinc/07/34/60/450073460.db2.gz KJDSSLHQPSJFGX-GJZGRUSLSA-N 1 1 333.388 1.824 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000603111629 450074443 /nfs/dbraw/zinc/07/44/43/450074443.db2.gz SRCCPWRKVLQUHV-LSDHHAIUSA-N 1 1 348.403 1.527 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCCCCC1 ZINC000609846464 450104221 /nfs/dbraw/zinc/10/42/21/450104221.db2.gz MJLCHBVLTQZETN-CQSZACIVSA-N 1 1 347.419 1.879 20 5 EDBDMO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCCCCC1 ZINC000609846464 450104224 /nfs/dbraw/zinc/10/42/24/450104224.db2.gz 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ZINC000776585058 580422431 /nfs/dbraw/zinc/42/24/31/580422431.db2.gz RZDCFSPFWSDLIH-HUUCEWRRSA-N 1 1 334.376 1.118 20 5 EDBDMO C/C(=C/C(=O)N1CC[NH+](C[C@H](C)O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000779189926 580480815 /nfs/dbraw/zinc/48/08/15/580480815.db2.gz NKKNTVBSPGUZDT-FZDNWWAKSA-N 1 1 333.388 1.523 20 5 EDBDMO COCCO[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000780490331 580524474 /nfs/dbraw/zinc/52/44/74/580524474.db2.gz VLIPECUSGWIEJV-CYBMUJFWSA-N 1 1 335.364 1.343 20 5 EDBDMO COCCO[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000780490331 580524475 /nfs/dbraw/zinc/52/44/75/580524475.db2.gz VLIPECUSGWIEJV-CYBMUJFWSA-N 1 1 335.364 1.343 20 5 EDBDMO COc1c(C)c[nH+]c(CCCOC(=O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000780601761 580528246 /nfs/dbraw/zinc/52/82/46/580528246.db2.gz WZVIHJHDFALWEP-UHFFFAOYSA-N 1 1 348.359 1.988 20 5 EDBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NCc1ccccn1 ZINC000785866252 580655217 /nfs/dbraw/zinc/65/52/17/580655217.db2.gz COMQSIHRCMONMN-UHFFFAOYSA-N 1 1 344.375 1.140 20 5 EDBDMO O=C1C[C@]2(CC[N@@H+](Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)C2)CN1 ZINC000788381265 580720076 /nfs/dbraw/zinc/72/00/76/580720076.db2.gz HGKNJYRFLGLXHW-OAHLLOKOSA-N 1 1 349.778 1.767 20 5 EDBDMO O=C1C[C@]2(CC[N@H+](Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)C2)CN1 ZINC000788381265 580720077 /nfs/dbraw/zinc/72/00/77/580720077.db2.gz HGKNJYRFLGLXHW-OAHLLOKOSA-N 1 1 349.778 1.767 20 5 EDBDMO COc1ccc(C(=O)OC[C@@H]2C[N@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000789774453 580753382 /nfs/dbraw/zinc/75/33/82/580753382.db2.gz UDSBAQJMOQSHRV-ZDUSSCGKSA-N 1 1 338.360 1.869 20 5 EDBDMO C[N@H+]1CC[C@](O)(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790931721 580781561 /nfs/dbraw/zinc/78/15/61/580781561.db2.gz RACMANVQGMFVQK-AWEZNQCLSA-N 1 1 345.758 1.113 20 5 EDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000797413339 580974704 /nfs/dbraw/zinc/97/47/04/580974704.db2.gz CIISSESDPZXPRN-QGZVFWFLSA-N 1 1 343.387 1.874 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)cn3)CC2)cc1 ZINC000799294046 581024180 /nfs/dbraw/zinc/02/41/80/581024180.db2.gz QXJRNPLKZNWPQP-KRWDZBQOSA-N 1 1 346.362 1.985 20 5 EDBDMO O=C(CC[N@H+]1CC[C@](F)(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000802013842 581089814 /nfs/dbraw/zinc/08/98/14/581089814.db2.gz MFOXTTWTMKHJJW-CQSZACIVSA-N 1 1 329.303 1.469 20 5 EDBDMO O=C(CC[N@@H+]1CC[C@](F)(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000802013842 581089815 /nfs/dbraw/zinc/08/98/15/581089815.db2.gz MFOXTTWTMKHJJW-CQSZACIVSA-N 1 1 329.303 1.469 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000891948836 590701087 /nfs/dbraw/zinc/70/10/87/590701087.db2.gz GZJWCIIHTAENNF-UHFFFAOYSA-N 1 1 331.376 1.947 20 5 EDBDMO CN1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000888998928 590753764 /nfs/dbraw/zinc/75/37/64/590753764.db2.gz RBVOPTUXCLVEPU-IRXDYDNUSA-N 1 1 346.431 1.404 20 5 EDBDMO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3Cc4c[nH+]cn4C3)c2c1 ZINC000894997015 591517647 /nfs/dbraw/zinc/51/76/47/591517647.db2.gz KZYNRNAFGDDORA-JTQLQIEISA-N 1 1 325.328 1.807 20 5 EDBDMO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](C)CCN1C ZINC000895245926 591678983 /nfs/dbraw/zinc/67/89/83/591678983.db2.gz JTGQPIMHBUKXNK-MWLCHTKSSA-N 1 1 336.421 1.646 20 5 EDBDMO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@H]1CN(C)CC[N@@H+]1C ZINC000895245926 591678986 /nfs/dbraw/zinc/67/89/86/591678986.db2.gz JTGQPIMHBUKXNK-MWLCHTKSSA-N 1 1 336.421 1.646 20 5 EDBDMO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@H]1CN(C)CC[N@H+]1C ZINC000895245926 591678989 /nfs/dbraw/zinc/67/89/89/591678989.db2.gz JTGQPIMHBUKXNK-MWLCHTKSSA-N 1 1 336.421 1.646 20 5 EDBDMO CN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[N@@H+](C)CC1 ZINC000897096270 591737940 /nfs/dbraw/zinc/73/79/40/591737940.db2.gz BAZYZVGCWKIXHO-UHFFFAOYSA-N 1 1 335.433 1.888 20 5 EDBDMO C[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000899739439 591927236 /nfs/dbraw/zinc/92/72/36/591927236.db2.gz YWSOBUAISXAZBI-UHFFFAOYSA-N 1 1 335.282 1.268 20 5 EDBDMO CC(C)N1CC[NH+](CCC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000900241013 591952134 /nfs/dbraw/zinc/95/21/34/591952134.db2.gz NNXLZEXKJOZQAD-UHFFFAOYSA-N 1 1 334.420 1.627 20 5 EDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000902827021 592067386 /nfs/dbraw/zinc/06/73/86/592067386.db2.gz ITZHVWNFDKBTGQ-GXTWGEPZSA-N 1 1 332.360 1.228 20 5 EDBDMO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000903843473 592343092 /nfs/dbraw/zinc/34/30/92/592343092.db2.gz LNWZBTJUQQVQCY-APYUEPQZSA-N 1 1 330.388 1.512 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)[C@@H]2C1 ZINC000908348399 592455826 /nfs/dbraw/zinc/45/58/26/592455826.db2.gz OBDLKNSIFPMEFC-SMDDNHRTSA-N 1 1 347.371 1.532 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000907193946 592553245 /nfs/dbraw/zinc/55/32/45/592553245.db2.gz ZUIJUOQJAGHESP-VXGBXAGGSA-N 1 1 349.387 1.921 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000907193946 592553247 /nfs/dbraw/zinc/55/32/47/592553247.db2.gz ZUIJUOQJAGHESP-VXGBXAGGSA-N 1 1 349.387 1.921 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907547181 592702627 /nfs/dbraw/zinc/70/26/27/592702627.db2.gz BISQPDIWGNQJGA-RISCZKNCSA-N 1 1 325.390 1.167 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000910295727 592833158 /nfs/dbraw/zinc/83/31/58/592833158.db2.gz WTPOBPRYCDBNCF-LLVKDONJSA-N 1 1 335.360 1.880 20 5 EDBDMO C[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)N1CC[NH+](C)CC1 ZINC000911475840 592923689 /nfs/dbraw/zinc/92/36/89/592923689.db2.gz LGOKHQGWBPUEGC-SNVBAGLBSA-N 1 1 342.346 1.125 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840120303 593204013 /nfs/dbraw/zinc/20/40/13/593204013.db2.gz XWWVCRDNORHVNJ-AWEZNQCLSA-N 1 1 326.303 1.912 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@](O)(C(F)F)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840120303 593204014 /nfs/dbraw/zinc/20/40/14/593204014.db2.gz XWWVCRDNORHVNJ-AWEZNQCLSA-N 1 1 326.303 1.912 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000802141386 593223721 /nfs/dbraw/zinc/22/37/21/593223721.db2.gz HKFNQWXXDLFSKZ-ZDUSSCGKSA-N 1 1 338.360 1.869 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000802141386 593223723 /nfs/dbraw/zinc/22/37/23/593223723.db2.gz HKFNQWXXDLFSKZ-ZDUSSCGKSA-N 1 1 338.360 1.869 20 5 EDBDMO O=C(CC[N@@H+]1CCC[C@@]12CCOC2=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000839568103 593339967 /nfs/dbraw/zinc/33/99/67/593339967.db2.gz XHZQOAMKKAMYDG-INIZCTEOSA-N 1 1 333.344 1.705 20 5 EDBDMO O=C(CC[N@H+]1CCC[C@@]12CCOC2=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000839568103 593339970 /nfs/dbraw/zinc/33/99/70/593339970.db2.gz XHZQOAMKKAMYDG-INIZCTEOSA-N 1 1 333.344 1.705 20 5 EDBDMO COC1CC[NH+](C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)CC1 ZINC000839666096 593359860 /nfs/dbraw/zinc/35/98/60/593359860.db2.gz LGYYAZFORPDINR-ZIAGYGMSSA-N 1 1 325.409 1.191 20 5 EDBDMO COc1cccc([C@H]2[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000839721357 593373657 /nfs/dbraw/zinc/37/36/57/593373657.db2.gz UOUAZMUXMVABKS-TWMKSMIVSA-N 1 1 345.399 1.754 20 5 EDBDMO COc1cccc([C@H]2[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000839721357 593373660 /nfs/dbraw/zinc/37/36/60/593373660.db2.gz UOUAZMUXMVABKS-TWMKSMIVSA-N 1 1 345.399 1.754 20 5 EDBDMO COc1cccc([C@H]2[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000839721357 593373663 /nfs/dbraw/zinc/37/36/63/593373663.db2.gz UOUAZMUXMVABKS-TWMKSMIVSA-N 1 1 345.399 1.754 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCCn2ccc([N+](=O)[O-])n2)C1 ZINC000811448064 593470928 /nfs/dbraw/zinc/47/09/28/593470928.db2.gz SHJCBXNWLMVTCO-CQSZACIVSA-N 1 1 328.344 1.547 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000819063038 593736721 /nfs/dbraw/zinc/73/67/21/593736721.db2.gz VXURYOJMLGSXPQ-MSOLQXFVSA-N 1 1 349.431 1.861 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840405727 593856550 /nfs/dbraw/zinc/85/65/50/593856550.db2.gz RVIGAGBIHPWSPV-USXIJHARSA-N 1 1 347.415 1.870 20 5 EDBDMO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840405727 593856551 /nfs/dbraw/zinc/85/65/51/593856551.db2.gz RVIGAGBIHPWSPV-USXIJHARSA-N 1 1 347.415 1.870 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840405727 593856552 /nfs/dbraw/zinc/85/65/52/593856552.db2.gz RVIGAGBIHPWSPV-USXIJHARSA-N 1 1 347.415 1.870 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC[C@@H]21 ZINC000821625820 593886829 /nfs/dbraw/zinc/88/68/29/593886829.db2.gz WIZOXIONODADRH-JQWIXIFHSA-N 1 1 344.379 1.090 20 5 EDBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000821710079 593921371 /nfs/dbraw/zinc/92/13/71/593921371.db2.gz FQDSKIWECFAEGA-DLTLXFJOSA-N 1 1 347.415 1.612 20 5 EDBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000821710079 593921372 /nfs/dbraw/zinc/92/13/72/593921372.db2.gz FQDSKIWECFAEGA-DLTLXFJOSA-N 1 1 347.415 1.612 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821267806 594003024 /nfs/dbraw/zinc/00/30/24/594003024.db2.gz RJQMBLOOALNFPG-SNVBAGLBSA-N 1 1 332.368 1.090 20 5 EDBDMO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821342045 594022769 /nfs/dbraw/zinc/02/27/69/594022769.db2.gz JNEQYCRSYYFWQF-KRWDZBQOSA-N 1 1 336.436 1.418 20 5 EDBDMO Cc1[nH+]ccn1CCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000822479017 594055225 /nfs/dbraw/zinc/05/52/25/594055225.db2.gz XLTXZWQTHXHYHE-UHFFFAOYSA-N 1 1 328.336 1.782 20 5 EDBDMO Cc1nn(C)c(C(=O)N2CC[NH2+][C@H](c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000825180515 594143009 /nfs/dbraw/zinc/14/30/09/594143009.db2.gz MVGCGZKQVHKUNG-AWEZNQCLSA-N 1 1 343.387 1.732 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000823249956 594175926 /nfs/dbraw/zinc/17/59/26/594175926.db2.gz RQIRGYMQKFVGAB-CQSZACIVSA-N 1 1 335.404 1.788 20 5 EDBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCS(=O)(=O)C1CC1)OCCO2 ZINC000840963622 594833384 /nfs/dbraw/zinc/83/33/84/594833384.db2.gz AZDVVQWFIDOBGE-UHFFFAOYSA-N 1 1 342.373 1.033 20 5 EDBDMO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)c(N)c([N+](=O)[O-])c1 ZINC000833558479 594873347 /nfs/dbraw/zinc/87/33/47/594873347.db2.gz CDMCMVKVYRCZJA-GFCCVEGCSA-N 1 1 336.392 1.062 20 5 EDBDMO C/C(=C/C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000841457142 594903893 /nfs/dbraw/zinc/90/38/93/594903893.db2.gz ORIOAEZLBSHELF-GTISMEIMSA-N 1 1 347.415 1.912 20 5 EDBDMO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000842627859 595149655 /nfs/dbraw/zinc/14/96/55/595149655.db2.gz ZWFVAYXCTWLQLJ-ISTRZQFTSA-N 1 1 347.371 1.600 20 5 EDBDMO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000842627859 595149656 /nfs/dbraw/zinc/14/96/56/595149656.db2.gz ZWFVAYXCTWLQLJ-ISTRZQFTSA-N 1 1 347.371 1.600 20 5 EDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000843804611 595190612 /nfs/dbraw/zinc/19/06/12/595190612.db2.gz JMMCUWXSZSDUMI-LLVKDONJSA-N 1 1 339.367 1.740 20 5 EDBDMO CCN1C[C@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)OC1=O ZINC000846826344 595322198 /nfs/dbraw/zinc/32/21/98/595322198.db2.gz OFTPSDDSAGYIHP-YPMHNXCESA-N 1 1 335.364 1.317 20 5 EDBDMO Cc1nn(CN2CC[N@H+](C)C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000844743205 595387814 /nfs/dbraw/zinc/38/78/14/595387814.db2.gz UMGHQQUAEREHMQ-INIZCTEOSA-N 1 1 329.404 1.916 20 5 EDBDMO COC[C@H]1CCC[N@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479767 595390293 /nfs/dbraw/zinc/39/02/93/595390293.db2.gz BFGBUJLBXUWPSM-CVEARBPZSA-N 1 1 333.388 1.979 20 5 EDBDMO CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](CC)C1 ZINC000855489595 595726227 /nfs/dbraw/zinc/72/62/27/595726227.db2.gz AVMDYUAATDPKDI-CQSZACIVSA-N 1 1 349.387 1.729 20 5 EDBDMO COc1c(C(=O)OC[C@]2(C)C[C@H](OC)C[N@H+]2C)cccc1[N+](=O)[O-] ZINC000861350582 595956948 /nfs/dbraw/zinc/95/69/48/595956948.db2.gz DSTXPUNUVINEIL-ZBEGNZNMSA-N 1 1 338.360 1.869 20 5 EDBDMO COc1cccc(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@H+]2C)c1[N+](=O)[O-] ZINC000861354223 595960070 /nfs/dbraw/zinc/96/00/70/595960070.db2.gz XZXUUFNCTDSZBI-MEDUHNTESA-N 1 1 338.360 1.869 20 5 EDBDMO CCOc1cc(N2CC[NH+](C[C@@H]3CCC(=O)O3)CC2)ccc1[N+](=O)[O-] ZINC000852004388 596004388 /nfs/dbraw/zinc/00/43/88/596004388.db2.gz ZKHMMXDWRNCROI-AWEZNQCLSA-N 1 1 349.387 1.821 20 5 EDBDMO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000856739000 596066636 /nfs/dbraw/zinc/06/66/36/596066636.db2.gz MCRVANALWCZASB-GFCCVEGCSA-N 1 1 341.433 1.974 20 5 EDBDMO O=[N+]([O-])c1c(Br)cccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000856741002 596067723 /nfs/dbraw/zinc/06/77/23/596067723.db2.gz WAZPMRZNUSYKFB-JTQLQIEISA-N 1 1 342.193 1.878 20 5 EDBDMO O=[N+]([O-])c1c(Br)cccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000856741002 596067727 /nfs/dbraw/zinc/06/77/27/596067727.db2.gz WAZPMRZNUSYKFB-JTQLQIEISA-N 1 1 342.193 1.878 20 5 EDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000861984344 596170276 /nfs/dbraw/zinc/17/02/76/596170276.db2.gz BRLUNXSSVPLJEJ-UHFFFAOYSA-N 1 1 348.403 1.504 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CCN2CCOCC2)CC2CC2)c1 ZINC000852636210 596215015 /nfs/dbraw/zinc/21/50/15/596215015.db2.gz PUJWFAHCPZZJFZ-GOSISDBHSA-N 1 1 349.431 1.672 20 5 EDBDMO CC1(C)C[N@H+](CCNc2cc(F)c([N+](=O)[O-])cc2CO)CCO1 ZINC000865497691 596591543 /nfs/dbraw/zinc/59/15/43/596591543.db2.gz PHJSCFSVKHOUSU-UHFFFAOYSA-N 1 1 327.356 1.749 20 5 EDBDMO CC1(C)C[N@@H+](CCNc2cc(F)c([N+](=O)[O-])cc2CO)CCO1 ZINC000865497691 596591545 /nfs/dbraw/zinc/59/15/45/596591545.db2.gz PHJSCFSVKHOUSU-UHFFFAOYSA-N 1 1 327.356 1.749 20 5 EDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000869776987 596628214 /nfs/dbraw/zinc/62/82/14/596628214.db2.gz DJAONVKKBTXMNU-JTQLQIEISA-N 1 1 325.340 1.309 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000868128944 596695833 /nfs/dbraw/zinc/69/58/33/596695833.db2.gz STBYCSAXISGLFP-HOCLYGCPSA-N 1 1 332.404 1.873 20 5 EDBDMO Cc1cc(Cl)c(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000863833479 596700856 /nfs/dbraw/zinc/70/08/56/596700856.db2.gz PTPSEGCCWGMYQL-JTQLQIEISA-N 1 1 327.768 1.353 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119845351 596757024 /nfs/dbraw/zinc/75/70/24/596757024.db2.gz GACROTXMGFGLRK-KOLCDFICSA-N 1 1 333.435 1.617 20 5 EDBDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000119846492 596757166 /nfs/dbraw/zinc/75/71/66/596757166.db2.gz UWPHVGCFRRFHNQ-VHSXEESVSA-N 1 1 333.435 1.760 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866205503 596826644 /nfs/dbraw/zinc/82/66/44/596826644.db2.gz FCDHXGZXNFDZKA-AAEUAGOBSA-N 1 1 339.417 1.529 20 5 EDBDMO C[NH+]1CCN(C2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)CC1 ZINC000866212894 596829976 /nfs/dbraw/zinc/82/99/76/596829976.db2.gz XQWXRQDBXNJHBH-UHFFFAOYSA-N 1 1 349.391 1.719 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874363115 597034359 /nfs/dbraw/zinc/03/43/59/597034359.db2.gz LRZKPNZMTGHLDF-CABCVRRESA-N 1 1 346.387 1.537 20 5 EDBDMO Cc1nn(CN2CC[NH+](CCc3cnccn3)CC2)c(C)c1[N+](=O)[O-] ZINC000872702549 597037067 /nfs/dbraw/zinc/03/70/67/597037067.db2.gz AILRGXVWJNSESJ-UHFFFAOYSA-N 1 1 345.407 1.016 20 5 EDBDMO CC[C@H]1COCC[N@@H+]1CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000874698508 597141007 /nfs/dbraw/zinc/14/10/07/597141007.db2.gz GIAXBWZXSCOXIY-PXTSUWAFSA-N 1 1 333.388 1.835 20 5 EDBDMO CC[C@H]1COCC[N@H+]1CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000874698508 597141009 /nfs/dbraw/zinc/14/10/09/597141009.db2.gz GIAXBWZXSCOXIY-PXTSUWAFSA-N 1 1 333.388 1.835 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000874831677 597189141 /nfs/dbraw/zinc/18/91/41/597189141.db2.gz AHOYRKFRMQBHLM-NEPJUHHUSA-N 1 1 333.344 1.632 20 5 EDBDMO COc1cccc(C[NH+]2CCN(Cc3cn(C)nc3[N+](=O)[O-])CC2)c1 ZINC000877705608 597549164 /nfs/dbraw/zinc/54/91/64/597549164.db2.gz LLHXISCBCOMVAK-UHFFFAOYSA-N 1 1 345.403 1.655 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000879576700 597640098 /nfs/dbraw/zinc/64/00/98/597640098.db2.gz XDGSEWPGHRVZMU-GOEBONIOSA-N 1 1 344.415 1.510 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000881807412 597732124 /nfs/dbraw/zinc/73/21/24/597732124.db2.gz RVNGGHFVSMRMAT-SECBINFHSA-N 1 1 333.797 1.539 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000881807412 597732128 /nfs/dbraw/zinc/73/21/28/597732128.db2.gz RVNGGHFVSMRMAT-SECBINFHSA-N 1 1 333.797 1.539 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000882960788 598117391 /nfs/dbraw/zinc/11/73/91/598117391.db2.gz WGGWCJWIZKUPLY-LLVKDONJSA-N 1 1 342.421 1.351 20 5 EDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(-c2nn[nH]n2)c1 ZINC000738369296 598499160 /nfs/dbraw/zinc/49/91/60/598499160.db2.gz KKVNLHPJAYVYHV-VXGBXAGGSA-N 1 1 330.352 1.209 20 5 EDBDMO Cn1cc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC001031539110 697223999 /nfs/dbraw/zinc/22/39/99/697223999.db2.gz XAPZYNRUWQEYHB-UHFFFAOYSA-N 1 1 329.360 1.190 20 5 EDBDMO Cc1ccc(CCC[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001031662850 697440105 /nfs/dbraw/zinc/44/01/05/697440105.db2.gz NSRLQQHLKGQFSI-IAGOWNOFSA-N 1 1 331.416 1.641 20 5 EDBDMO Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)oc1C ZINC000940107296 700218759 /nfs/dbraw/zinc/21/87/59/700218759.db2.gz HHVSCETWPHXKKD-CHWSQXEVSA-N 1 1 336.392 1.427 20 5 EDBDMO Cn1cnc(C(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC001002602748 709164600 /nfs/dbraw/zinc/16/46/00/709164600.db2.gz UMBIWUNYKNAIJK-UHFFFAOYSA-N 1 1 343.387 1.723 20 5 EDBDMO Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1F ZINC001002789957 709384451 /nfs/dbraw/zinc/38/44/51/709384451.db2.gz YQRSAIXONXIAMP-GDBMZVCRSA-N 1 1 335.379 1.880 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2coc(C3CC3)n2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034644124 710319990 /nfs/dbraw/zinc/31/99/90/710319990.db2.gz CKTOVWRSKMCVGY-QHSBEEBCSA-N 1 1 348.403 1.734 20 5 EDBDMO O=C(NCc1ccc(C[NH2+]Cc2cncs2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001034816657 711199477 /nfs/dbraw/zinc/19/94/77/711199477.db2.gz TUFNZDOKCKNZMP-HUUCEWRRSA-N 1 1 346.412 1.714 20 5 EDBDMO CNC(=O)C1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067376167 215138088 /nfs/dbraw/zinc/13/80/88/215138088.db2.gz WCHPCRFFUTVNBR-OAHLLOKOSA-N 1 1 346.387 1.158 20 5 EDBDMO CC[N@H+]1CC[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000412841430 304040378 /nfs/dbraw/zinc/04/03/78/304040378.db2.gz NQCIJVFANOJFBF-CYBMUJFWSA-N 1 1 343.387 1.819 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[N@H+](C3CC3)CC2)c1 ZINC000061041529 138164091 /nfs/dbraw/zinc/16/40/91/138164091.db2.gz ZCYJTLGNVGFQEN-INIZCTEOSA-N 1 1 335.404 1.505 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCN(C3CC3)CC2)c1 ZINC000061041529 138164095 /nfs/dbraw/zinc/16/40/95/138164095.db2.gz ZCYJTLGNVGFQEN-INIZCTEOSA-N 1 1 335.404 1.505 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCN(C3CC3)CC2)c1 ZINC000061041529 138164097 /nfs/dbraw/zinc/16/40/97/138164097.db2.gz ZCYJTLGNVGFQEN-INIZCTEOSA-N 1 1 335.404 1.505 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000078650839 138258451 /nfs/dbraw/zinc/25/84/51/138258451.db2.gz IVCBROZPPKAHTA-NEPJUHHUSA-N 1 1 339.779 1.841 20 5 EDBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000130385024 138341048 /nfs/dbraw/zinc/34/10/48/138341048.db2.gz YMYLUHBWUOJJRL-SDWAUSNYSA-N 1 1 345.396 1.761 20 5 EDBDMO Cc1cccc(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000129165770 223028740 /nfs/dbraw/zinc/02/87/40/223028740.db2.gz QFIQARZOTXFMLC-UHFFFAOYSA-N 1 1 336.373 1.689 20 5 EDBDMO O=C(CC[NH2+][C@H]1CCc2cn[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000564565924 306361002 /nfs/dbraw/zinc/36/10/02/306361002.db2.gz ZFKOBHMPKKOACD-LBPRGKRZSA-N 1 1 329.360 1.794 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC[N@@H+](C)C1 ZINC000413902131 304086968 /nfs/dbraw/zinc/08/69/68/304086968.db2.gz NESMXQUDKKUZMQ-CQSZACIVSA-N 1 1 349.387 1.009 20 5 EDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000246282672 139102470 /nfs/dbraw/zinc/10/24/70/139102470.db2.gz WZMIOUMDOMMANH-CMPLNLGQSA-N 1 1 336.392 1.544 20 5 EDBDMO C[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246437911 139108497 /nfs/dbraw/zinc/10/84/97/139108497.db2.gz LTFLQNNGFNEERG-XJKSGUPXSA-N 1 1 345.403 1.493 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC[C@H]21 ZINC000248138562 139158552 /nfs/dbraw/zinc/15/85/52/139158552.db2.gz PJDLUYDRRZBDKU-GXFFZTMASA-N 1 1 336.367 1.872 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000248370140 139160849 /nfs/dbraw/zinc/16/08/49/139160849.db2.gz XCPQKHCUUCOBQV-HOTGVXAUSA-N 1 1 335.404 1.505 20 5 EDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000248418096 139162959 /nfs/dbraw/zinc/16/29/59/139162959.db2.gz KAZYOGFPTWCGHB-TUAOUCFPSA-N 1 1 335.408 1.668 20 5 EDBDMO CO[C@H]1C[C@H](CN(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[N@@H+](C)C1 ZINC000346697798 250044389 /nfs/dbraw/zinc/04/43/89/250044389.db2.gz GYXVDGZSMGDBER-NEPJUHHUSA-N 1 1 346.387 1.867 20 5 EDBDMO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000249713396 139197417 /nfs/dbraw/zinc/19/74/17/139197417.db2.gz ZUQJFAGJITVMTI-CHWSQXEVSA-N 1 1 341.433 1.994 20 5 EDBDMO CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153447676 224105700 /nfs/dbraw/zinc/10/57/00/224105700.db2.gz ANZIGCLDKUXKRO-CYBMUJFWSA-N 1 1 344.375 1.342 20 5 EDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000263674446 139351815 /nfs/dbraw/zinc/35/18/15/139351815.db2.gz GZANQURCQCVCRW-AWEZNQCLSA-N 1 1 332.404 1.585 20 5 EDBDMO CC(C)[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1C ZINC000489332906 255067460 /nfs/dbraw/zinc/06/74/60/255067460.db2.gz PKBGSKDCEBJPCR-CYBMUJFWSA-N 1 1 335.360 1.736 20 5 EDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000493767572 255221277 /nfs/dbraw/zinc/22/12/77/255221277.db2.gz BFVZHAVMEXDNIO-KXPUMZMLSA-N 1 1 333.388 1.571 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118117975 221123597 /nfs/dbraw/zinc/12/35/97/221123597.db2.gz ZIBKAARAZYAPDW-LLVKDONJSA-N 1 1 336.392 1.688 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118118300 221122578 /nfs/dbraw/zinc/12/25/78/221122578.db2.gz YSELOZHXVLTMGE-GFCCVEGCSA-N 1 1 336.392 1.688 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000184356753 533584757 /nfs/dbraw/zinc/58/47/57/533584757.db2.gz IMKJXUZSDRNRIG-AWEZNQCLSA-N 1 1 334.420 1.280 20 5 EDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000416284599 304301332 /nfs/dbraw/zinc/30/13/32/304301332.db2.gz ATTJFFXSRAWDAU-MGBSGCIJSA-N 1 1 347.415 1.612 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000416284599 304301334 /nfs/dbraw/zinc/30/13/34/304301334.db2.gz ATTJFFXSRAWDAU-MGBSGCIJSA-N 1 1 347.415 1.612 20 5 EDBDMO Cc1sc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000270416345 140096061 /nfs/dbraw/zinc/09/60/61/140096061.db2.gz ZLVXUURMYLYTTM-UHFFFAOYSA-N 1 1 341.433 1.884 20 5 EDBDMO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000270625843 140136718 /nfs/dbraw/zinc/13/67/18/140136718.db2.gz HYAOHQIXNRDJMN-WFASDCNBSA-N 1 1 329.360 1.802 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000331367771 141012195 /nfs/dbraw/zinc/01/21/95/141012195.db2.gz BOMKPKVUSWTBFU-XHDPSFHLSA-N 1 1 339.417 1.497 20 5 EDBDMO Cc1c[nH+]cn1C1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000331376026 141013280 /nfs/dbraw/zinc/01/32/80/141013280.db2.gz CCDLBGSJGFCNBC-UHFFFAOYSA-N 1 1 346.391 1.858 20 5 EDBDMO NS(=O)(=O)c1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000339952931 142211153 /nfs/dbraw/zinc/21/11/53/142211153.db2.gz LKJWZSKQMATXDY-PWSUYJOCSA-N 1 1 340.405 1.281 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000347074452 143279429 /nfs/dbraw/zinc/27/94/29/143279429.db2.gz BWRCHDRKOYZPMP-LBPRGKRZSA-N 1 1 346.387 1.605 20 5 EDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CC1 ZINC000347203491 143294446 /nfs/dbraw/zinc/29/44/46/143294446.db2.gz CMNOJBKXXDTNHB-GFCCVEGCSA-N 1 1 346.387 1.605 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1-c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000347325615 143308890 /nfs/dbraw/zinc/30/88/90/143308890.db2.gz HEKSMXIFOUQBJE-IINYFYTJSA-N 1 1 334.336 1.304 20 5 EDBDMO COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+](C)C ZINC000348509865 143437130 /nfs/dbraw/zinc/43/71/30/143437130.db2.gz SYESIFDQFDIEJK-LBPRGKRZSA-N 1 1 333.348 1.359 20 5 EDBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1COC[C@@H]1O ZINC000352820120 149180429 /nfs/dbraw/zinc/18/04/29/149180429.db2.gz YRDISLPQUMPVPZ-KGLIPLIRSA-N 1 1 333.344 1.484 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354283821 149742057 /nfs/dbraw/zinc/74/20/57/149742057.db2.gz UPWGMLBALDJTTJ-NSHDSACASA-N 1 1 325.390 1.418 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000354283821 149742059 /nfs/dbraw/zinc/74/20/59/149742059.db2.gz UPWGMLBALDJTTJ-NSHDSACASA-N 1 1 325.390 1.418 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000355367277 150236927 /nfs/dbraw/zinc/23/69/27/150236927.db2.gz NYXIMTFRFMYNNE-HOCLYGCPSA-N 1 1 349.387 1.295 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000357382386 151013981 /nfs/dbraw/zinc/01/39/81/151013981.db2.gz CFLPTYLEMSRGKR-WCQYABFASA-N 1 1 344.375 1.388 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000360651124 152138765 /nfs/dbraw/zinc/13/87/65/152138765.db2.gz FKLCQPXANJHRDF-DGCLKSJQSA-N 1 1 341.433 1.973 20 5 EDBDMO COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000363699461 153033781 /nfs/dbraw/zinc/03/37/81/153033781.db2.gz LCKRJQKFCAWSBK-CXAGYDPISA-N 1 1 347.371 1.469 20 5 EDBDMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363870431 153081411 /nfs/dbraw/zinc/08/14/11/153081411.db2.gz VJXHHSMEHFJGPP-VXGBXAGGSA-N 1 1 333.392 1.661 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000363930248 153099723 /nfs/dbraw/zinc/09/97/23/153099723.db2.gz QMQFBWXRXRXUGU-RISCZKNCSA-N 1 1 325.390 1.310 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2CCCCNC2=O)cccc1[N+](=O)[O-] ZINC000364115426 153148521 /nfs/dbraw/zinc/14/85/21/153148521.db2.gz PSDMQJCKDIHPPD-HNNXBMFYSA-N 1 1 348.403 1.832 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)CCO1 ZINC000364196118 153169137 /nfs/dbraw/zinc/16/91/37/153169137.db2.gz IXZFFSAEWVXRNO-GFCCVEGCSA-N 1 1 348.403 1.502 20 5 EDBDMO C[N@@H+](C[C@H]1CC12CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])CC2)C1CC1 ZINC000367296395 154069871 /nfs/dbraw/zinc/06/98/71/154069871.db2.gz QBVMZWWMTLJROI-LLVKDONJSA-N 1 1 333.392 1.654 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000367981969 154353252 /nfs/dbraw/zinc/35/32/52/154353252.db2.gz GNJVNFVAIRFHEK-GFCCVEGCSA-N 1 1 334.376 1.429 20 5 EDBDMO O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000371711879 156073426 /nfs/dbraw/zinc/07/34/26/156073426.db2.gz WUBTZEXDYYBECT-DRRXZNNHSA-N 1 1 329.400 1.678 20 5 EDBDMO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@H]1CC1[N+](=O)[O-] ZINC000371711879 156073431 /nfs/dbraw/zinc/07/34/31/156073431.db2.gz WUBTZEXDYYBECT-DRRXZNNHSA-N 1 1 329.400 1.678 20 5 EDBDMO O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@H]1CC1[N+](=O)[O-] ZINC000371711879 156073436 /nfs/dbraw/zinc/07/34/36/156073436.db2.gz WUBTZEXDYYBECT-DRRXZNNHSA-N 1 1 329.400 1.678 20 5 EDBDMO CN(C)c1noc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000374553244 157326658 /nfs/dbraw/zinc/32/66/58/157326658.db2.gz XMDLYOYGKBZPLG-NSHDSACASA-N 1 1 335.368 1.120 20 5 EDBDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)CCO1 ZINC000408039313 158248582 /nfs/dbraw/zinc/24/85/82/158248582.db2.gz WCGCVWLYBJXBIS-LBPRGKRZSA-N 1 1 336.392 1.259 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+](CC)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000352229121 162062246 /nfs/dbraw/zinc/06/22/46/162062246.db2.gz DCGSHHCNSDNALT-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000352229121 162062250 /nfs/dbraw/zinc/06/22/50/162062250.db2.gz DCGSHHCNSDNALT-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366313245 162376244 /nfs/dbraw/zinc/37/62/44/162376244.db2.gz OVHPEPLZHIQHRF-KGLIPLIRSA-N 1 1 347.371 1.477 20 5 EDBDMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000271774131 287045860 /nfs/dbraw/zinc/04/58/60/287045860.db2.gz RAXBRTPJLAOWAV-NEPJUHHUSA-N 1 1 348.403 1.358 20 5 EDBDMO COC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123700148 222319100 /nfs/dbraw/zinc/31/91/00/222319100.db2.gz GSHQGFJKQMHPEE-FZMZJTMJSA-N 1 1 349.387 1.936 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000172361291 227651848 /nfs/dbraw/zinc/65/18/48/227651848.db2.gz YDPWUFUGVFSLMW-UHFFFAOYSA-N 1 1 346.391 1.812 20 5 EDBDMO COCCO[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000275508082 268353058 /nfs/dbraw/zinc/35/30/58/268353058.db2.gz HQZDTIJSAVDULG-KGLIPLIRSA-N 1 1 340.376 1.072 20 5 EDBDMO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000273425159 273038339 /nfs/dbraw/zinc/03/83/39/273038339.db2.gz KLZVRXOJSFDHAA-ZDUSSCGKSA-N 1 1 342.396 1.206 20 5 EDBDMO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000273425159 273038341 /nfs/dbraw/zinc/03/83/41/273038341.db2.gz KLZVRXOJSFDHAA-ZDUSSCGKSA-N 1 1 342.396 1.206 20 5 EDBDMO COc1cc(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)ccc1[N+](=O)[O-] ZINC000276219135 273154206 /nfs/dbraw/zinc/15/42/06/273154206.db2.gz JEZJEWBIHRGVNQ-LLVKDONJSA-N 1 1 330.344 1.792 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279547725 273306232 /nfs/dbraw/zinc/30/62/32/273306232.db2.gz XJWKMKSIGQWTMP-UHFFFAOYSA-N 1 1 328.344 1.014 20 5 EDBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279761105 273324435 /nfs/dbraw/zinc/32/44/35/273324435.db2.gz MEUVLQPUYLSRGQ-SQWLQELKSA-N 1 1 338.404 1.960 20 5 EDBDMO CCOc1cc(C[N@@H+]2CC[C@](O)(c3cn[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000284803092 274338139 /nfs/dbraw/zinc/33/81/39/274338139.db2.gz MQZMGIYPQIMPSE-OAHLLOKOSA-N 1 1 333.348 1.205 20 5 EDBDMO CCOc1cc(C[N@H+]2CC[C@](O)(c3cn[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000284803092 274338140 /nfs/dbraw/zinc/33/81/40/274338140.db2.gz MQZMGIYPQIMPSE-OAHLLOKOSA-N 1 1 333.348 1.205 20 5 EDBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000353481174 276053050 /nfs/dbraw/zinc/05/30/50/276053050.db2.gz HRWCREMIBDUAMD-ZDUSSCGKSA-N 1 1 341.433 1.971 20 5 EDBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000353481174 276053051 /nfs/dbraw/zinc/05/30/51/276053051.db2.gz HRWCREMIBDUAMD-ZDUSSCGKSA-N 1 1 341.433 1.971 20 5 EDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000286594562 288041871 /nfs/dbraw/zinc/04/18/71/288041871.db2.gz QUGZUJIULFXETC-SUUOJUFPSA-N 1 1 348.399 1.690 20 5 EDBDMO C[C@H]1[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000357591047 280116177 /nfs/dbraw/zinc/11/61/77/280116177.db2.gz FFKMCSZYPPGLQV-GXTWGEPZSA-N 1 1 343.387 1.837 20 5 EDBDMO O=[N+]([O-])c1ccccc1N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000361286261 280374759 /nfs/dbraw/zinc/37/47/59/280374759.db2.gz HIFUYMUSHGJLDD-UHFFFAOYSA-N 1 1 334.420 1.439 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+]2CCCCC2)c1C ZINC000119669827 281015942 /nfs/dbraw/zinc/01/59/42/281015942.db2.gz VGVQBQAYCQHHSW-UHFFFAOYSA-N 1 1 341.433 1.976 20 5 EDBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000292192098 289285159 /nfs/dbraw/zinc/28/51/59/289285159.db2.gz ZBFCJXRZANAIJM-GFCCVEGCSA-N 1 1 337.376 1.631 20 5 EDBDMO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccncc1 ZINC000292430386 289345546 /nfs/dbraw/zinc/34/55/46/289345546.db2.gz LRDZWGAPBKJJCM-HUUCEWRRSA-N 1 1 331.376 1.630 20 5 EDBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccncc1 ZINC000292430386 289345550 /nfs/dbraw/zinc/34/55/50/289345550.db2.gz LRDZWGAPBKJJCM-HUUCEWRRSA-N 1 1 331.376 1.630 20 5 EDBDMO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420438157 304757872 /nfs/dbraw/zinc/75/78/72/304757872.db2.gz KSWJAXHDXXBRNV-RITPCOANSA-N 1 1 342.204 1.916 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000160254686 302921736 /nfs/dbraw/zinc/92/17/36/302921736.db2.gz FMKMBKCKWYZVFU-LBPRGKRZSA-N 1 1 347.375 1.878 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294476683 303112986 /nfs/dbraw/zinc/11/29/86/303112986.db2.gz IFZQBKKJHFILKN-UHFFFAOYSA-N 1 1 330.344 1.879 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[N@H+](CCCO)C1 ZINC000294688341 303136386 /nfs/dbraw/zinc/13/63/86/303136386.db2.gz BPRFZMAWJQLVFY-OAHLLOKOSA-N 1 1 337.420 1.930 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000294688341 303136388 /nfs/dbraw/zinc/13/63/88/303136388.db2.gz BPRFZMAWJQLVFY-OAHLLOKOSA-N 1 1 337.420 1.930 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000302697345 303730063 /nfs/dbraw/zinc/73/00/63/303730063.db2.gz WPXOYIPQSMXCAV-NSHDSACASA-N 1 1 329.360 1.886 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCCn2cc[nH+]c2C)c1F ZINC000411773091 303914172 /nfs/dbraw/zinc/91/41/72/303914172.db2.gz XAOFIBIGIQTGPY-UHFFFAOYSA-N 1 1 336.323 1.606 20 5 EDBDMO C[C@H](NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000429240611 305026256 /nfs/dbraw/zinc/02/62/56/305026256.db2.gz XHFFQFWXAOEYSA-NSHDSACASA-N 1 1 336.392 1.012 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+](C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430569896 305056403 /nfs/dbraw/zinc/05/64/03/305056403.db2.gz GBKRMAXCGXXATI-UHFFFAOYSA-N 1 1 338.408 1.849 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000430705457 305062930 /nfs/dbraw/zinc/06/29/30/305062930.db2.gz ANRLKLBWBVZPMD-GFCCVEGCSA-N 1 1 344.375 1.340 20 5 EDBDMO CCOC(=O)[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC12COC2 ZINC000451134250 305332076 /nfs/dbraw/zinc/33/20/76/305332076.db2.gz KPEIHLKPMCHUOY-HNNXBMFYSA-N 1 1 334.372 1.649 20 5 EDBDMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545967 305352675 /nfs/dbraw/zinc/35/26/75/305352675.db2.gz IIJZWMJASWEOGY-JSGCOSHPSA-N 1 1 349.387 1.452 20 5 EDBDMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545967 305352676 /nfs/dbraw/zinc/35/26/76/305352676.db2.gz IIJZWMJASWEOGY-JSGCOSHPSA-N 1 1 349.387 1.452 20 5 EDBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000548413861 306127483 /nfs/dbraw/zinc/12/74/83/306127483.db2.gz IQJKUUNTJJNAHY-AAEUAGOBSA-N 1 1 339.396 1.185 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414984359 447385535 /nfs/dbraw/zinc/38/55/35/447385535.db2.gz LXWNUEVQASANFS-CQSZACIVSA-N 1 1 346.353 1.829 20 5 EDBDMO C[N@@H+]([C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCC[C@H]1O ZINC000426218544 447400820 /nfs/dbraw/zinc/40/08/20/447400820.db2.gz UDTDCLOJDPJLPC-BZUAXINKSA-N 1 1 333.388 1.935 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@H+]1C ZINC000449939795 447416138 /nfs/dbraw/zinc/41/61/38/447416138.db2.gz KDJFDNBMVPDNEY-OCCSQVGLSA-N 1 1 343.387 1.993 20 5 EDBDMO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@@H+](C)C1CC1 ZINC000057715690 441131632 /nfs/dbraw/zinc/13/16/32/441131632.db2.gz APEFJRBTAYRRCE-SNVBAGLBSA-N 1 1 335.360 1.579 20 5 EDBDMO Cc1cccc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000080631665 441185800 /nfs/dbraw/zinc/18/58/00/441185800.db2.gz JMKZJWHLBFAMGG-UHFFFAOYSA-N 1 1 336.373 1.689 20 5 EDBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000074106370 441394025 /nfs/dbraw/zinc/39/40/25/441394025.db2.gz OORBVCWPSFOYCR-ZDUSSCGKSA-N 1 1 337.376 1.201 20 5 EDBDMO CC[N@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000107893449 441433717 /nfs/dbraw/zinc/43/37/17/441433717.db2.gz XSLNMAJTUKWPEN-GFCCVEGCSA-N 1 1 337.376 1.440 20 5 EDBDMO C[NH+](C)CCN1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000074138383 441399180 /nfs/dbraw/zinc/39/91/80/441399180.db2.gz NFNHWOGGWJDEOT-UHFFFAOYSA-N 1 1 334.420 1.598 20 5 EDBDMO NC(=O)C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000051185705 441402618 /nfs/dbraw/zinc/40/26/18/441402618.db2.gz GNDOOGVOFGQVFB-UHFFFAOYSA-N 1 1 331.332 1.342 20 5 EDBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000065910384 441494216 /nfs/dbraw/zinc/49/42/16/441494216.db2.gz KHLJXEGOIMTURI-UHFFFAOYSA-N 1 1 337.424 1.904 20 5 EDBDMO C[N@H+](CCn1cccn1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111280441 441531231 /nfs/dbraw/zinc/53/12/31/441531231.db2.gz CSWMKYVRYGCNEQ-UHFFFAOYSA-N 1 1 329.360 1.312 20 5 EDBDMO C[N@@H+](CCn1cccn1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111280441 441531234 /nfs/dbraw/zinc/53/12/34/441531234.db2.gz CSWMKYVRYGCNEQ-UHFFFAOYSA-N 1 1 329.360 1.312 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000066137444 441507031 /nfs/dbraw/zinc/50/70/31/441507031.db2.gz QGCSXNZOVVLSAO-LLVKDONJSA-N 1 1 337.376 1.842 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000089992604 441610827 /nfs/dbraw/zinc/61/08/27/441610827.db2.gz PDBLVEFRFCGAIU-NSHDSACASA-N 1 1 327.406 1.656 20 5 EDBDMO COc1ccc(CN2CCN(c3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000089926288 441596843 /nfs/dbraw/zinc/59/68/43/441596843.db2.gz LMWZTTRCGLLOJE-UHFFFAOYSA-N 1 1 331.376 1.659 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000090552631 441634314 /nfs/dbraw/zinc/63/43/14/441634314.db2.gz QCVQXVLXTYFWDN-ZDUSSCGKSA-N 1 1 349.309 1.392 20 5 EDBDMO Cc1cccc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000114141027 441637079 /nfs/dbraw/zinc/63/70/79/441637079.db2.gz VGJRHJZVJBPOIK-CYBMUJFWSA-N 1 1 334.420 1.517 20 5 EDBDMO CCO[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000076406299 441642242 /nfs/dbraw/zinc/64/22/42/441642242.db2.gz BZIMGFFJKLBZAX-HNNXBMFYSA-N 1 1 333.388 1.985 20 5 EDBDMO CCO[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000076406299 441642244 /nfs/dbraw/zinc/64/22/44/441642244.db2.gz BZIMGFFJKLBZAX-HNNXBMFYSA-N 1 1 333.388 1.985 20 5 EDBDMO CCN1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000041442665 441654686 /nfs/dbraw/zinc/65/46/86/441654686.db2.gz NRFUTDAHOMDXIL-UHFFFAOYSA-N 1 1 335.408 1.056 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000042073356 441701599 /nfs/dbraw/zinc/70/15/99/441701599.db2.gz MJTUGFBAWVLXOL-UHFFFAOYSA-N 1 1 329.784 1.946 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000067717812 441672705 /nfs/dbraw/zinc/67/27/05/441672705.db2.gz HNSQGHSCUHDZMP-UHFFFAOYSA-N 1 1 347.824 1.929 20 5 EDBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000173428288 441746481 /nfs/dbraw/zinc/74/64/81/441746481.db2.gz KEGMWQMCCVXDAM-UHFFFAOYSA-N 1 1 345.421 1.150 20 5 EDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C[NH+]1CCOCC1 ZINC000137184531 441753756 /nfs/dbraw/zinc/75/37/56/441753756.db2.gz HSSOKSUIATYDEC-LLVKDONJSA-N 1 1 341.795 1.946 20 5 EDBDMO C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000173962147 441870508 /nfs/dbraw/zinc/87/05/08/441870508.db2.gz WBCASBGLKHXQPR-AQVLZCAOSA-N 1 1 345.399 1.787 20 5 EDBDMO C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000173713239 441828294 /nfs/dbraw/zinc/82/82/94/441828294.db2.gz YWDNNEUYKDWQCH-AWEZNQCLSA-N 1 1 349.435 1.278 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC000173741140 441832357 /nfs/dbraw/zinc/83/23/57/441832357.db2.gz QPAVUKDKDVBNIV-AWEZNQCLSA-N 1 1 349.387 1.725 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2C(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC000173741140 441832361 /nfs/dbraw/zinc/83/23/61/441832361.db2.gz QPAVUKDKDVBNIV-AWEZNQCLSA-N 1 1 349.387 1.725 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000141751924 441855373 /nfs/dbraw/zinc/85/53/73/441855373.db2.gz OZFLSFSDDVNXBD-GFCCVEGCSA-N 1 1 334.332 1.813 20 5 EDBDMO Cc1cnc(NCCCCN2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000078663664 441960437 /nfs/dbraw/zinc/96/04/37/441960437.db2.gz DXDYYBSXQZESIW-UHFFFAOYSA-N 1 1 337.424 1.100 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175738634 442114273 /nfs/dbraw/zinc/11/42/73/442114273.db2.gz YKNKRMIRAXVRGD-ZDUSSCGKSA-N 1 1 338.408 1.923 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000151876055 442133077 /nfs/dbraw/zinc/13/30/77/442133077.db2.gz JQVPPXBLZCBQFJ-JQWIXIFHSA-N 1 1 346.387 1.583 20 5 EDBDMO Cc1c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000177507635 442351154 /nfs/dbraw/zinc/35/11/54/442351154.db2.gz AOTXPBOWGINKRB-VXGBXAGGSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1c(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000177507635 442351156 /nfs/dbraw/zinc/35/11/56/442351156.db2.gz AOTXPBOWGINKRB-VXGBXAGGSA-N 1 1 336.392 1.822 20 5 EDBDMO CC(C)N1CC[C@H]([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000177684765 442370658 /nfs/dbraw/zinc/37/06/58/442370658.db2.gz IBIHGPQAELLKJH-JSGCOSHPSA-N 1 1 333.392 1.485 20 5 EDBDMO CC(C)N1CC[C@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000177684765 442370662 /nfs/dbraw/zinc/37/06/62/442370662.db2.gz IBIHGPQAELLKJH-JSGCOSHPSA-N 1 1 333.392 1.485 20 5 EDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1C[N@H+](C)CCO1 ZINC000154785533 442356569 /nfs/dbraw/zinc/35/65/69/442356569.db2.gz VZQOCDARXMCATK-NHYWBVRUSA-N 1 1 344.371 1.592 20 5 EDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000154785533 442356571 /nfs/dbraw/zinc/35/65/71/442356571.db2.gz VZQOCDARXMCATK-NHYWBVRUSA-N 1 1 344.371 1.592 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000191643025 442481217 /nfs/dbraw/zinc/48/12/17/442481217.db2.gz BFJYUNDAMSOWGZ-ZDUSSCGKSA-N 1 1 335.408 1.806 20 5 EDBDMO C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[N@H+](C)CCO1 ZINC000134980461 442544335 /nfs/dbraw/zinc/54/43/35/442544335.db2.gz UCMSUKPWGPOFDW-BMIGLBTASA-N 1 1 332.360 1.525 20 5 EDBDMO C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000134980461 442544342 /nfs/dbraw/zinc/54/43/42/442544342.db2.gz UCMSUKPWGPOFDW-BMIGLBTASA-N 1 1 332.360 1.525 20 5 EDBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000173024191 442588145 /nfs/dbraw/zinc/58/81/45/442588145.db2.gz MNDVKCIJPLFSBX-JTQLQIEISA-N 1 1 343.380 1.497 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173237825 442629702 /nfs/dbraw/zinc/62/97/02/442629702.db2.gz VSLCCXIRZASYBI-RISCZKNCSA-N 1 1 327.406 1.556 20 5 EDBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000186937956 442633879 /nfs/dbraw/zinc/63/38/79/442633879.db2.gz XNLSASMUAATUEV-GFCCVEGCSA-N 1 1 336.392 1.904 20 5 EDBDMO C[N@@H+](CCCn1ccnc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182294772 442754163 /nfs/dbraw/zinc/75/41/63/442754163.db2.gz VWZPQOLJVFQXGB-CQSZACIVSA-N 1 1 334.376 1.553 20 5 EDBDMO Cc1c(CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000610968621 450395459 /nfs/dbraw/zinc/39/54/59/450395459.db2.gz JJSDWRBDYPQJAQ-MRXNPFEDSA-N 1 1 347.415 1.769 20 5 EDBDMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246750677 442809988 /nfs/dbraw/zinc/80/99/88/442809988.db2.gz PHZGNNRCTUQMLS-CABCVRRESA-N 1 1 348.407 1.340 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[N@H+]1C1CC1 ZINC000268040695 442826815 /nfs/dbraw/zinc/82/68/15/442826815.db2.gz XYIVZYCXSAIJHW-GHMZBOCLSA-N 1 1 337.351 1.854 20 5 EDBDMO COc1ccc(CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268143696 442867548 /nfs/dbraw/zinc/86/75/48/442867548.db2.gz RTFCLHRKHSVHNL-FZMZJTMJSA-N 1 1 348.403 1.885 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000248454777 442893468 /nfs/dbraw/zinc/89/34/68/442893468.db2.gz KMCXJCBKADFUHR-UKRRQHHQSA-N 1 1 336.388 1.835 20 5 EDBDMO CCC[C@]1(COC)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248757898 442924033 /nfs/dbraw/zinc/92/40/33/442924033.db2.gz XCLKCRSSVDUFTP-HUUCEWRRSA-N 1 1 326.397 1.433 20 5 EDBDMO COC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000189402193 442941999 /nfs/dbraw/zinc/94/19/99/442941999.db2.gz DKOJTWWFHIMAAK-IUODEOHRSA-N 1 1 337.376 1.659 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249188901 442958784 /nfs/dbraw/zinc/95/87/84/442958784.db2.gz OUJIXROEIAPZCU-TZMCWYRMSA-N 1 1 348.403 1.640 20 5 EDBDMO COCCO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000189676508 442992455 /nfs/dbraw/zinc/99/24/55/442992455.db2.gz NIMIJSCSLIFARR-OAHLLOKOSA-N 1 1 337.376 1.661 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249604921 442995170 /nfs/dbraw/zinc/99/51/70/442995170.db2.gz ZJKJEAFMQGHDEA-ABAIWWIYSA-N 1 1 348.403 1.818 20 5 EDBDMO CCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000266044534 442998185 /nfs/dbraw/zinc/99/81/85/442998185.db2.gz WYISWBCIGAQSSZ-AWEZNQCLSA-N 1 1 326.393 1.817 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184604089 443047365 /nfs/dbraw/zinc/04/73/65/443047365.db2.gz CBZAQWNKMRDLMX-CYBMUJFWSA-N 1 1 341.433 1.698 20 5 EDBDMO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000266346215 443102933 /nfs/dbraw/zinc/10/29/33/443102933.db2.gz IURFRHFKHNJMEI-GFCCVEGCSA-N 1 1 336.348 1.294 20 5 EDBDMO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000266346215 443102937 /nfs/dbraw/zinc/10/29/37/443102937.db2.gz IURFRHFKHNJMEI-GFCCVEGCSA-N 1 1 336.348 1.294 20 5 EDBDMO CC(C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(N)=O ZINC000185160720 443150829 /nfs/dbraw/zinc/15/08/29/443150829.db2.gz WQZAVQWLUCURMI-UHFFFAOYSA-N 1 1 326.328 1.258 20 5 EDBDMO CNc1nc(-c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351100885 319092837 /nfs/dbraw/zinc/09/28/37/319092837.db2.gz ZHNXXOMSFXUOSP-CABZTGNLSA-N 1 1 346.347 1.617 20 5 EDBDMO CC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000412879512 319247321 /nfs/dbraw/zinc/24/73/21/319247321.db2.gz PHYVQANVIQWEGI-CYBMUJFWSA-N 1 1 329.360 1.605 20 5 EDBDMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185987861 443294465 /nfs/dbraw/zinc/29/44/65/443294465.db2.gz UQQHHODJJLPWSI-CQSZACIVSA-N 1 1 341.433 1.994 20 5 EDBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000266984576 443308396 /nfs/dbraw/zinc/30/83/96/443308396.db2.gz RQWKHPBIFNTQAX-UHFFFAOYSA-N 1 1 336.392 1.364 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272467088 443328795 /nfs/dbraw/zinc/32/87/95/443328795.db2.gz SPNUOJNQDIJERN-MFKMUULPSA-N 1 1 343.380 1.449 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272467088 443328798 /nfs/dbraw/zinc/32/87/98/443328798.db2.gz SPNUOJNQDIJERN-MFKMUULPSA-N 1 1 343.380 1.449 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278461967 443339508 /nfs/dbraw/zinc/33/95/08/443339508.db2.gz MRAKQVBBTDAAQV-GFCCVEGCSA-N 1 1 332.408 1.909 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264695845 443378570 /nfs/dbraw/zinc/37/85/70/443378570.db2.gz CBNYFGWNSXJJRH-LBPRGKRZSA-N 1 1 331.376 1.052 20 5 EDBDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000264945420 443486345 /nfs/dbraw/zinc/48/63/45/443486345.db2.gz JJVWDIKZCPDFJR-RYUDHWBXSA-N 1 1 330.406 1.727 20 5 EDBDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000264945420 443486347 /nfs/dbraw/zinc/48/63/47/443486347.db2.gz JJVWDIKZCPDFJR-RYUDHWBXSA-N 1 1 330.406 1.727 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000264953027 443489126 /nfs/dbraw/zinc/48/91/26/443489126.db2.gz AKTYQNXDKPHEAY-UHFFFAOYSA-N 1 1 346.387 1.538 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000273134160 443546040 /nfs/dbraw/zinc/54/60/40/443546040.db2.gz SDSDYBVMNQLQRZ-ZDUSSCGKSA-N 1 1 339.298 1.358 20 5 EDBDMO C[N@@H+](CCO)C1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000272426132 443621680 /nfs/dbraw/zinc/62/16/80/443621680.db2.gz YDVHTHIMKAINCF-UHFFFAOYSA-N 1 1 346.387 1.605 20 5 EDBDMO COCCC[N@@H+](CCOC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283535951 443656196 /nfs/dbraw/zinc/65/61/96/443656196.db2.gz OCBJWXUVUQBANG-UHFFFAOYSA-N 1 1 339.392 1.908 20 5 EDBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000286266174 443679770 /nfs/dbraw/zinc/67/97/70/443679770.db2.gz BFOUYFWMGNYLQS-LLVKDONJSA-N 1 1 336.270 1.219 20 5 EDBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000286266174 443679772 /nfs/dbraw/zinc/67/97/72/443679772.db2.gz BFOUYFWMGNYLQS-LLVKDONJSA-N 1 1 336.270 1.219 20 5 EDBDMO CC(C)(C)OC[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000298209449 443720380 /nfs/dbraw/zinc/72/03/80/443720380.db2.gz RNBZYHIAMHALOD-CQSZACIVSA-N 1 1 337.420 1.893 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000288369676 443859102 /nfs/dbraw/zinc/85/91/02/443859102.db2.gz JTOWATWUHRJALR-JTQLQIEISA-N 1 1 336.348 1.978 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000288369676 443859105 /nfs/dbraw/zinc/85/91/05/443859105.db2.gz JTOWATWUHRJALR-JTQLQIEISA-N 1 1 336.348 1.978 20 5 EDBDMO COC(=O)c1cc(NC(=O)N2CC[NH+](C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000277219096 443939863 /nfs/dbraw/zinc/93/98/63/443939863.db2.gz NCHNBUHTQWAYDP-UHFFFAOYSA-N 1 1 336.348 1.469 20 5 EDBDMO Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000298961764 443914438 /nfs/dbraw/zinc/91/44/38/443914438.db2.gz LELNZZYJRREVRQ-UHFFFAOYSA-N 1 1 331.332 1.245 20 5 EDBDMO 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FFMALAZYZNIQMX-CQSZACIVSA-N 1 1 349.387 1.938 20 5 EDBDMO Cc1c(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000569068283 321317206 /nfs/dbraw/zinc/31/72/06/321317206.db2.gz WXRCNUBSRRDFSB-OAHLLOKOSA-N 1 1 334.376 1.508 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@H]2C1 ZINC000285794905 444109841 /nfs/dbraw/zinc/10/98/41/444109841.db2.gz NSOXONOSLRPFOT-GJZGRUSLSA-N 1 1 344.371 1.621 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@@H]2C1 ZINC000285794915 444110332 /nfs/dbraw/zinc/11/03/32/444110332.db2.gz NSOXONOSLRPFOT-HUUCEWRRSA-N 1 1 344.371 1.621 20 5 EDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000294693516 444137169 /nfs/dbraw/zinc/13/71/69/444137169.db2.gz QLXQUQAGSUBBFH-KGMNCQPJSA-N 1 1 333.388 1.522 20 5 EDBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000278316157 444137889 /nfs/dbraw/zinc/13/78/89/444137889.db2.gz NEWPXYISGBBHOX-GOEBONIOSA-N 1 1 338.404 1.749 20 5 EDBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000278316153 444137899 /nfs/dbraw/zinc/13/78/99/444137899.db2.gz NEWPXYISGBBHOX-GDBMZVCRSA-N 1 1 338.404 1.749 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000301258018 444158564 /nfs/dbraw/zinc/15/85/64/444158564.db2.gz ARDAYSRGLZUTMM-DGCLKSJQSA-N 1 1 343.391 1.685 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000301258024 444158614 /nfs/dbraw/zinc/15/86/14/444158614.db2.gz ARDAYSRGLZUTMM-WCQYABFASA-N 1 1 343.391 1.685 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301542874 444178721 /nfs/dbraw/zinc/17/87/21/444178721.db2.gz NZZPMCFYGWHGBR-VXGBXAGGSA-N 1 1 331.376 1.379 20 5 EDBDMO Cc1nn(C)c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1[N+](=O)[O-] ZINC000301856941 444193836 /nfs/dbraw/zinc/19/38/36/444193836.db2.gz ROCDVZWTLCHUAK-YIONKMFJSA-N 1 1 348.451 1.384 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@H]1CCCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000304327681 444247299 /nfs/dbraw/zinc/24/72/99/444247299.db2.gz QQABIEYAUKYAEY-AWEZNQCLSA-N 1 1 333.388 1.721 20 5 EDBDMO C[C@]1(C[C@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)NC(=O)NC1=O ZINC000289985370 444226971 /nfs/dbraw/zinc/22/69/71/444226971.db2.gz ZYBBTGRRRNZLEK-CZUORRHYSA-N 1 1 332.360 1.547 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000296442809 444230299 /nfs/dbraw/zinc/23/02/99/444230299.db2.gz YWJPDLKPBAPWBX-JLSDUUJJSA-N 1 1 348.399 1.978 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000296442809 444230301 /nfs/dbraw/zinc/23/03/01/444230301.db2.gz YWJPDLKPBAPWBX-JLSDUUJJSA-N 1 1 348.399 1.978 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000290056400 444236479 /nfs/dbraw/zinc/23/64/79/444236479.db2.gz IKCRKNVQZDHIEA-UHFFFAOYSA-N 1 1 326.372 1.347 20 5 EDBDMO CN(CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000290056400 444236480 /nfs/dbraw/zinc/23/64/80/444236480.db2.gz IKCRKNVQZDHIEA-UHFFFAOYSA-N 1 1 326.372 1.347 20 5 EDBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000290752335 444318848 /nfs/dbraw/zinc/31/88/48/444318848.db2.gz SQPSGFLZKJAKQN-CZUORRHYSA-N 1 1 348.403 1.599 20 5 EDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[N@@H+](CCO)CC1 ZINC000297104263 444274750 /nfs/dbraw/zinc/27/47/50/444274750.db2.gz LJWQFVCIZUIMDW-UHFFFAOYSA-N 1 1 346.387 1.656 20 5 EDBDMO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319426275 444324047 /nfs/dbraw/zinc/32/40/47/444324047.db2.gz JCDGJPDWZFRDPA-JTQLQIEISA-N 1 1 333.385 1.743 20 5 EDBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000319615816 444324934 /nfs/dbraw/zinc/32/49/34/444324934.db2.gz ZUKRNSFGHGGQMN-UWVGGRQHSA-N 1 1 331.369 1.495 20 5 EDBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000319615816 444324935 /nfs/dbraw/zinc/32/49/35/444324935.db2.gz ZUKRNSFGHGGQMN-UWVGGRQHSA-N 1 1 331.369 1.495 20 5 EDBDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330997599 444352727 /nfs/dbraw/zinc/35/27/27/444352727.db2.gz VEOMLXSEXPUJDR-GHMZBOCLSA-N 1 1 336.314 1.815 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000324534021 444356206 /nfs/dbraw/zinc/35/62/06/444356206.db2.gz MZCHBDFEQZZSDC-JTQLQIEISA-N 1 1 343.380 1.687 20 5 EDBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000325824595 444369467 /nfs/dbraw/zinc/36/94/67/444369467.db2.gz NMVQZMTXEACMEE-ZIAGYGMSSA-N 1 1 336.348 1.456 20 5 EDBDMO CCNc1ccc(C(=O)NC[C@@H]2C[N@H+](CC)CCO2)cc1[N+](=O)[O-] ZINC000326099399 444372014 /nfs/dbraw/zinc/37/20/14/444372014.db2.gz VIZJAVKVEDQMDR-CYBMUJFWSA-N 1 1 336.392 1.477 20 5 EDBDMO CCNc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC)CCO2)cc1[N+](=O)[O-] ZINC000326099399 444372018 /nfs/dbraw/zinc/37/20/18/444372018.db2.gz VIZJAVKVEDQMDR-CYBMUJFWSA-N 1 1 336.392 1.477 20 5 EDBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290844755 444329908 /nfs/dbraw/zinc/32/99/08/444329908.db2.gz WNFSHQAHDVCBSM-NSHDSACASA-N 1 1 330.348 1.263 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000331140530 444413423 /nfs/dbraw/zinc/41/34/23/444413423.db2.gz LXMYWEKSKHGLAK-OAHLLOKOSA-N 1 1 349.387 1.794 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000580442863 322052265 /nfs/dbraw/zinc/05/22/65/322052265.db2.gz WRMAYROLCDKYMQ-UKRRQHHQSA-N 1 1 336.388 1.978 20 5 EDBDMO CN1CCO[C@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000342150905 444535742 /nfs/dbraw/zinc/53/57/42/444535742.db2.gz JMAFNTJEPNCJRZ-HOTGVXAUSA-N 1 1 348.403 1.328 20 5 EDBDMO Cn1cc([C@@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000342142279 444530528 /nfs/dbraw/zinc/53/05/28/444530528.db2.gz ZSQOJCBNWBEUMU-HNNXBMFYSA-N 1 1 331.376 1.717 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000340995780 444621369 /nfs/dbraw/zinc/62/13/69/444621369.db2.gz RYEQRMWQJADIRC-OCCSQVGLSA-N 1 1 335.408 1.789 20 5 EDBDMO CO[C@H]1C[C@H](CN(C)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[N@@H+](C)C1 ZINC000343873189 444639441 /nfs/dbraw/zinc/63/94/41/444639441.db2.gz HIZJYRRJZHNFTK-KGLIPLIRSA-N 1 1 347.375 1.800 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344027404 444736571 /nfs/dbraw/zinc/73/65/71/444736571.db2.gz LGOPOAHUOJQJBO-NOLJZWGESA-N 1 1 333.388 1.935 20 5 EDBDMO C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC000338671237 444801864 /nfs/dbraw/zinc/80/18/64/444801864.db2.gz BRFYSAUNASLNOH-QWHCGFSZSA-N 1 1 337.424 1.763 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000341844229 445030582 /nfs/dbraw/zinc/03/05/82/445030582.db2.gz UTPJTMIUXXSFQJ-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000341844229 445030584 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O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000451836483 447758412 /nfs/dbraw/zinc/75/84/12/447758412.db2.gz AUFFMEOKCVELHQ-HIFRSBDPSA-N 1 1 332.360 1.972 20 5 EDBDMO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1scnc1C ZINC000489516045 447861346 /nfs/dbraw/zinc/86/13/46/447861346.db2.gz SMHANHYHPBANTC-UHFFFAOYSA-N 1 1 325.394 1.705 20 5 EDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1scnc1C ZINC000489516045 447861349 /nfs/dbraw/zinc/86/13/49/447861349.db2.gz SMHANHYHPBANTC-UHFFFAOYSA-N 1 1 325.394 1.705 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000569902834 447911591 /nfs/dbraw/zinc/91/15/91/447911591.db2.gz DJILGTMSKOXJNS-JTQLQIEISA-N 1 1 327.331 1.874 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000524720817 447942928 /nfs/dbraw/zinc/94/29/28/447942928.db2.gz AVSXNEAAHBSBPR-CYBMUJFWSA-N 1 1 343.387 1.852 20 5 EDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000556683507 448130164 /nfs/dbraw/zinc/13/01/64/448130164.db2.gz OVLFIAVVUJONGN-CYBMUJFWSA-N 1 1 348.403 1.703 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000556683507 448130166 /nfs/dbraw/zinc/13/01/66/448130166.db2.gz OVLFIAVVUJONGN-CYBMUJFWSA-N 1 1 348.403 1.703 20 5 EDBDMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000571691468 448192440 /nfs/dbraw/zinc/19/24/40/448192440.db2.gz XIRZYFVZZKJWPN-UHFFFAOYSA-N 1 1 332.364 1.307 20 5 EDBDMO COc1ccc(CC(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000582784748 448339284 /nfs/dbraw/zinc/33/92/84/448339284.db2.gz FZDGSNLMEWUPIV-OAHLLOKOSA-N 1 1 325.340 1.306 20 5 EDBDMO CNc1nccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000565179380 448359246 /nfs/dbraw/zinc/35/92/46/448359246.db2.gz SRGJOULIRYBKJS-UHFFFAOYSA-N 1 1 349.435 2.416 20 5 EDBDMO CCCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592832740 449008927 /nfs/dbraw/zinc/00/89/27/449008927.db2.gz VPOXWIUFVLUIBI-AWEZNQCLSA-N 1 1 349.387 1.938 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CC2(O)CCOCC2)c1 ZINC000589513711 449028863 /nfs/dbraw/zinc/02/88/63/449028863.db2.gz VYSVDPDZKGBOJN-UHFFFAOYSA-N 1 1 338.360 1.355 20 5 EDBDMO C[C@H](C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000569557108 449041261 /nfs/dbraw/zinc/04/12/61/449041261.db2.gz GRLGAJSTIZEKIA-IHRRRGAJSA-N 1 1 335.404 1.612 20 5 EDBDMO C[C@H](C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000569557108 449041266 /nfs/dbraw/zinc/04/12/66/449041266.db2.gz GRLGAJSTIZEKIA-IHRRRGAJSA-N 1 1 335.404 1.612 20 5 EDBDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000522208004 449063491 /nfs/dbraw/zinc/06/34/91/449063491.db2.gz CPEZPQZKPWELPA-OAHLLOKOSA-N 1 1 347.419 1.513 20 5 EDBDMO C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593088452 449128288 /nfs/dbraw/zinc/12/82/88/449128288.db2.gz DMYNKJOVBCPXAM-ZFWWWQNUSA-N 1 1 336.388 1.978 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593088452 449128291 /nfs/dbraw/zinc/12/82/91/449128291.db2.gz DMYNKJOVBCPXAM-ZFWWWQNUSA-N 1 1 336.388 1.978 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+](C)C[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000595735248 449137631 /nfs/dbraw/zinc/13/76/31/449137631.db2.gz FVMWDANGPFQVNK-ZDUSSCGKSA-N 1 1 337.376 1.579 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000593618663 449111279 /nfs/dbraw/zinc/11/12/79/449111279.db2.gz OETSIGYKZFWEGV-NWDGAFQWSA-N 1 1 339.367 1.190 20 5 EDBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595671334 449111737 /nfs/dbraw/zinc/11/17/37/449111737.db2.gz QNIJZNQHQDMIGI-FRFSOERESA-N 1 1 338.404 1.817 20 5 EDBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCOC1 ZINC000593066425 449120773 /nfs/dbraw/zinc/12/07/73/449120773.db2.gz DBBBWBRIKOVPII-OAHLLOKOSA-N 1 1 333.388 1.985 20 5 EDBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCOC1 ZINC000593066425 449120776 /nfs/dbraw/zinc/12/07/76/449120776.db2.gz DBBBWBRIKOVPII-OAHLLOKOSA-N 1 1 333.388 1.985 20 5 EDBDMO C[C@H](O)[C@H]1CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595766152 449155236 /nfs/dbraw/zinc/15/52/36/449155236.db2.gz MKUBLYYFFFLPKG-WCQYABFASA-N 1 1 335.360 1.738 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000590442602 449164873 /nfs/dbraw/zinc/16/48/73/449164873.db2.gz GHEPYOJEOPBYAX-YGRLFVJLSA-N 1 1 333.344 1.158 20 5 EDBDMO CC(C)C[N@@H+](C)CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000593204184 449169087 /nfs/dbraw/zinc/16/90/87/449169087.db2.gz LWGKLNZSTGNXGU-UHFFFAOYSA-N 1 1 325.413 1.621 20 5 EDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600007537 449146330 /nfs/dbraw/zinc/14/63/30/449146330.db2.gz BPORQKLQWYKINV-UHFFFAOYSA-N 1 1 348.403 1.504 20 5 EDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600006803 449146685 /nfs/dbraw/zinc/14/66/85/449146685.db2.gz ICRQZRDPVINFMB-UHFFFAOYSA-N 1 1 347.415 1.851 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595823617 449186245 /nfs/dbraw/zinc/18/62/45/449186245.db2.gz PGPDTDBKZKFFJB-AWEZNQCLSA-N 1 1 336.392 1.791 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595823617 449186248 /nfs/dbraw/zinc/18/62/48/449186248.db2.gz PGPDTDBKZKFFJB-AWEZNQCLSA-N 1 1 336.392 1.791 20 5 EDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000600219459 449249718 /nfs/dbraw/zinc/24/97/18/449249718.db2.gz ZGRGOKSZGWCCAS-PWEFJHHISA-N 1 1 329.360 1.507 20 5 EDBDMO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CCC[N@H+](CCCO)C3)c2c1 ZINC000590708740 449255558 /nfs/dbraw/zinc/25/55/58/449255558.db2.gz IQCDSTODEVVDIC-LBPRGKRZSA-N 1 1 331.376 1.797 20 5 EDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000593996465 449316733 /nfs/dbraw/zinc/31/67/33/449316733.db2.gz ODWTUGJYISCQKN-MRXNPFEDSA-N 1 1 335.404 1.770 20 5 EDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000611515832 449317729 /nfs/dbraw/zinc/31/77/29/449317729.db2.gz NTTYUEPLISRTCA-UHFFFAOYSA-N 1 1 325.340 1.263 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596058083 449340885 /nfs/dbraw/zinc/34/08/85/449340885.db2.gz CHNWAPYRURFISM-ZDUSSCGKSA-N 1 1 336.392 1.462 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@@H](C)O)C1CC1 ZINC000594061846 449343594 /nfs/dbraw/zinc/34/35/94/449343594.db2.gz CGTFUMRHWRERMO-LLVKDONJSA-N 1 1 337.376 1.777 20 5 EDBDMO Cc1ccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000611582895 449346720 /nfs/dbraw/zinc/34/67/20/449346720.db2.gz PULUWJHKDZDGKE-UHFFFAOYSA-N 1 1 344.375 1.562 20 5 EDBDMO NC(=O)c1cc(NCCc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000596073475 449349427 /nfs/dbraw/zinc/34/94/27/449349427.db2.gz QRGCIGDIKKQHGO-UHFFFAOYSA-N 1 1 329.360 1.881 20 5 EDBDMO NS(=O)(=O)c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000596083171 449354791 /nfs/dbraw/zinc/35/47/91/449354791.db2.gz QBVMVFMODRKIIC-RYUDHWBXSA-N 1 1 340.405 1.281 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC000611617400 449360288 /nfs/dbraw/zinc/36/02/88/449360288.db2.gz NEPSRRNYCFQBSO-AWEZNQCLSA-N 1 1 347.419 1.525 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598455039 449404875 /nfs/dbraw/zinc/40/48/75/449404875.db2.gz ZHQHVQXPAYFROS-OAHLLOKOSA-N 1 1 349.387 1.031 20 5 EDBDMO Cc1nn(CCC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)c1[N+](=O)[O-] ZINC000594199443 449388455 /nfs/dbraw/zinc/38/84/55/449388455.db2.gz ZPPGJTJYUOGCGQ-CABCVRRESA-N 1 1 349.435 1.931 20 5 EDBDMO COC(=O)c1cc(C)nc(NC[C@@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596309871 449469160 /nfs/dbraw/zinc/46/91/60/449469160.db2.gz YWHQAFHVHXNAFC-NSHDSACASA-N 1 1 336.392 2.370 20 5 EDBDMO CCC[N@H+]1CC[C@@H](Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])C1 ZINC000596515994 449536755 /nfs/dbraw/zinc/53/67/55/449536755.db2.gz BKAHAGAZLRMVOZ-LLVKDONJSA-N 1 1 342.421 1.399 20 5 EDBDMO O=[N+]([O-])c1cc2c(nc1N1CCC([N@H+]3CC[C@H](O)C3)CC1)CCCC2 ZINC000596539998 449545373 /nfs/dbraw/zinc/54/53/73/449545373.db2.gz SBEZPFHZZZSEMN-HNNXBMFYSA-N 1 1 346.431 1.904 20 5 EDBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598620447 449499016 /nfs/dbraw/zinc/49/90/16/449499016.db2.gz WXBUATAUPCFFMN-ZDUSSCGKSA-N 1 1 341.433 1.974 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000596481953 449523227 /nfs/dbraw/zinc/52/32/27/449523227.db2.gz BLQGAFIITARGKC-HUUCEWRRSA-N 1 1 348.403 1.307 20 5 EDBDMO Cn1ncc2c1CC(C)(C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000596599330 449568479 /nfs/dbraw/zinc/56/84/79/449568479.db2.gz UJMABMVMGNLMKD-UHFFFAOYSA-N 1 1 345.403 1.575 20 5 EDBDMO CC(C)Oc1nc(N2CC[N@@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000594572587 449578976 /nfs/dbraw/zinc/57/89/76/449578976.db2.gz OECSVGNRXUJXBD-UHFFFAOYSA-N 1 1 338.408 1.670 20 5 EDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598715245 449558817 /nfs/dbraw/zinc/55/88/17/449558817.db2.gz NMUBIMNKRKHGFS-ZDUSSCGKSA-N 1 1 341.433 1.974 20 5 EDBDMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000594714561 449642727 /nfs/dbraw/zinc/64/27/27/449642727.db2.gz PCMLTXLTQOUNQD-LLVKDONJSA-N 1 1 326.349 1.461 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000594792502 449701633 /nfs/dbraw/zinc/70/16/33/449701633.db2.gz RUCDZCITWUALBM-NSHDSACASA-N 1 1 342.421 1.389 20 5 EDBDMO O=C(CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)N1CCOCC1 ZINC000601101383 449691408 /nfs/dbraw/zinc/69/14/08/449691408.db2.gz MCHCAVDDIUXFFG-UHFFFAOYSA-N 1 1 330.344 1.226 20 5 EDBDMO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602791421 449811867 /nfs/dbraw/zinc/81/18/67/449811867.db2.gz BSHBJCMNJPEYQS-SMDDNHRTSA-N 1 1 332.360 1.968 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601337701 449845905 /nfs/dbraw/zinc/84/59/05/449845905.db2.gz CYUOGIRJGBQWIE-JTQLQIEISA-N 1 1 333.435 1.537 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCN1CCN(C)CC1 ZINC000595005050 449839703 /nfs/dbraw/zinc/83/97/03/449839703.db2.gz WFQKNWDXMJDOFC-CQSZACIVSA-N 1 1 336.436 1.892 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)N1CCN(C)CC1 ZINC000595014528 449841954 /nfs/dbraw/zinc/84/19/54/449841954.db2.gz WLWLPZHKEKTLLB-ZIAGYGMSSA-N 1 1 336.436 1.890 20 5 EDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601362164 449874879 /nfs/dbraw/zinc/87/48/79/449874879.db2.gz DECOJDWHGSIEDA-UHFFFAOYSA-N 1 1 335.451 1.975 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601362882 449875587 /nfs/dbraw/zinc/87/55/87/449875587.db2.gz XVFCHOWCFDEEPH-SECBINFHSA-N 1 1 333.435 1.585 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000614933440 449884793 /nfs/dbraw/zinc/88/47/93/449884793.db2.gz FYIHUXZWOLKIJV-IINYFYTJSA-N 1 1 338.364 1.444 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000614933440 449884799 /nfs/dbraw/zinc/88/47/99/449884799.db2.gz FYIHUXZWOLKIJV-IINYFYTJSA-N 1 1 338.364 1.444 20 5 EDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601377535 449892794 /nfs/dbraw/zinc/89/27/94/449892794.db2.gz BMPFXRJTNSCDCZ-UHFFFAOYSA-N 1 1 325.340 1.263 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601340273 449849913 /nfs/dbraw/zinc/84/99/13/449849913.db2.gz OCWVQRCLWWOGAP-NSHDSACASA-N 1 1 345.396 1.662 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595192517 449935214 /nfs/dbraw/zinc/93/52/14/449935214.db2.gz JPCOMJVUDSDVAG-ZDUSSCGKSA-N 1 1 334.376 1.442 20 5 EDBDMO COc1cc(C[N@H+]2C[C@@H](OC)C[C@@]2(C)CO)c([N+](=O)[O-])cc1F ZINC000602963224 449965306 /nfs/dbraw/zinc/96/53/06/449965306.db2.gz CUERZMHCHWMXCB-NHYWBVRUSA-N 1 1 328.340 1.714 20 5 EDBDMO COc1cc(C[N@@H+]2C[C@@H](OC)C[C@@]2(C)CO)c([N+](=O)[O-])cc1F ZINC000602963224 449965308 /nfs/dbraw/zinc/96/53/08/449965308.db2.gz CUERZMHCHWMXCB-NHYWBVRUSA-N 1 1 328.340 1.714 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCCN1CCC([NH+]2CCOCC2)CC1 ZINC000599475061 450005173 /nfs/dbraw/zinc/00/51/73/450005173.db2.gz ZQKMPCAKJFJOQC-UHFFFAOYSA-N 1 1 335.404 1.770 20 5 EDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000618208224 450064106 /nfs/dbraw/zinc/06/41/06/450064106.db2.gz QVOFBBCDDVIXDK-LBPRGKRZSA-N 1 1 337.376 1.444 20 5 EDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609602888 450065095 /nfs/dbraw/zinc/06/50/95/450065095.db2.gz QKQCALVACJAPBT-CYBMUJFWSA-N 1 1 336.392 1.709 20 5 EDBDMO C[N@H+]1CCN(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000601549459 450067172 /nfs/dbraw/zinc/06/71/72/450067172.db2.gz GUUGULSTCDGGTD-UHFFFAOYSA-N 1 1 338.383 1.490 20 5 EDBDMO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609560134 450051157 /nfs/dbraw/zinc/05/11/57/450051157.db2.gz VMPMEODWESMRJP-CYBMUJFWSA-N 1 1 335.408 1.163 20 5 EDBDMO CN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000609557331 450051686 /nfs/dbraw/zinc/05/16/86/450051686.db2.gz XKXFHUJBHAJQQA-HNNXBMFYSA-N 1 1 348.403 1.852 20 5 EDBDMO Cc1nn(CCC(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000597716637 450217514 /nfs/dbraw/zinc/21/75/14/450217514.db2.gz QTJGHJFQCXFNRO-QGZVFWFLSA-N 1 1 349.435 1.743 20 5 EDBDMO Nc1c(NC(=O)NCC[N@H+]2CC[C@H](O)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000599800934 450226750 /nfs/dbraw/zinc/22/67/50/450226750.db2.gz MLXWIQMZFDWVNB-VIFPVBQESA-N 1 1 343.771 1.019 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000610615070 450273291 /nfs/dbraw/zinc/27/32/91/450273291.db2.gz NLAPWXJQLHGADN-LBPRGKRZSA-N 1 1 327.406 1.623 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610615070 450273295 /nfs/dbraw/zinc/27/32/95/450273295.db2.gz NLAPWXJQLHGADN-LBPRGKRZSA-N 1 1 327.406 1.623 20 5 EDBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000132377254 533819924 /nfs/dbraw/zinc/81/99/24/533819924.db2.gz UHZCIQVQMHWJPD-LLVKDONJSA-N 1 1 345.396 1.757 20 5 EDBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000132377254 533819929 /nfs/dbraw/zinc/81/99/29/533819929.db2.gz UHZCIQVQMHWJPD-LLVKDONJSA-N 1 1 345.396 1.757 20 5 EDBDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000154697104 533896923 /nfs/dbraw/zinc/89/69/23/533896923.db2.gz WCIKKQYHRKIHTC-TZMCWYRMSA-N 1 1 341.433 1.839 20 5 EDBDMO Cc1cccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000131589923 534601732 /nfs/dbraw/zinc/60/17/32/534601732.db2.gz FOCYJMFOOBDQEX-AWEZNQCLSA-N 1 1 335.404 1.870 20 5 EDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000131500829 534777330 /nfs/dbraw/zinc/77/73/30/534777330.db2.gz BHCDRKIGBCAHMA-JEJOPICUSA-N 1 1 347.415 1.961 20 5 EDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151673930 527844351 /nfs/dbraw/zinc/84/43/51/527844351.db2.gz ODESLMHPWBBKJP-CYBMUJFWSA-N 1 1 338.412 1.165 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000183967683 528547656 /nfs/dbraw/zinc/54/76/56/528547656.db2.gz MNABZDUZMVEERT-UHFFFAOYSA-N 1 1 349.309 1.658 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000345353773 535115206 /nfs/dbraw/zinc/11/52/06/535115206.db2.gz WMIMDMZKIRUKHO-ZDUSSCGKSA-N 1 1 336.392 1.462 20 5 EDBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248447345 535997125 /nfs/dbraw/zinc/99/71/25/535997125.db2.gz HHAGNPLTBNRXLX-YCPHGPKFSA-N 1 1 338.404 1.960 20 5 EDBDMO NC(=[NH+]OCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000732569326 578718764 /nfs/dbraw/zinc/71/87/64/578718764.db2.gz KOHNOGZIVXBLHX-UHFFFAOYSA-N 1 1 337.332 1.886 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000733167964 578745674 /nfs/dbraw/zinc/74/56/74/578745674.db2.gz BFTWQESIIOUEAM-CQSZACIVSA-N 1 1 348.403 1.255 20 5 EDBDMO COC(=O)[C@H](O)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000749534714 579729773 /nfs/dbraw/zinc/72/97/73/579729773.db2.gz AEJYBDNVDLZKKJ-CQSZACIVSA-N 1 1 342.779 1.994 20 5 EDBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cs1 ZINC000766206357 580161876 /nfs/dbraw/zinc/16/18/76/580161876.db2.gz FJROYNDZCPDWJB-NSHDSACASA-N 1 1 345.446 1.952 20 5 EDBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cs1 ZINC000766206357 580161877 /nfs/dbraw/zinc/16/18/77/580161877.db2.gz FJROYNDZCPDWJB-NSHDSACASA-N 1 1 345.446 1.952 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000768840268 580221958 /nfs/dbraw/zinc/22/19/58/580221958.db2.gz BPVUERQGPZRWMJ-NXEZZACHSA-N 1 1 336.348 1.976 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000768840268 580221959 /nfs/dbraw/zinc/22/19/59/580221959.db2.gz BPVUERQGPZRWMJ-NXEZZACHSA-N 1 1 336.348 1.976 20 5 EDBDMO Cc1[nH+]ccn1CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000771894561 580297752 /nfs/dbraw/zinc/29/77/52/580297752.db2.gz YWGDAEGQIATFFM-UHFFFAOYSA-N 1 1 333.300 1.728 20 5 EDBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776579316 580422051 /nfs/dbraw/zinc/42/20/51/580422051.db2.gz MQLILCSMMVITCZ-RDJZCZTQSA-N 1 1 347.415 1.866 20 5 EDBDMO O=C([C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000776581685 580422120 /nfs/dbraw/zinc/42/21/20/580422120.db2.gz HINRAVDKMJONJQ-RDJZCZTQSA-N 1 1 347.415 1.963 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@@H](n4cncn4)C3)c2)c1 ZINC000776774912 580428700 /nfs/dbraw/zinc/42/87/00/580428700.db2.gz GTLSCUGIFAZIAO-MRXNPFEDSA-N 1 1 339.359 1.954 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@@H](n4cncn4)C3)c2)c1 ZINC000776774912 580428701 /nfs/dbraw/zinc/42/87/01/580428701.db2.gz GTLSCUGIFAZIAO-MRXNPFEDSA-N 1 1 339.359 1.954 20 5 EDBDMO COCC[N@@H+](Cc1ccnn1C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000786232054 580664673 /nfs/dbraw/zinc/66/46/73/580664673.db2.gz XRXWMDKOXYIDCG-MRXNPFEDSA-N 1 1 334.376 1.510 20 5 EDBDMO COCC[N@H+](Cc1ccnn1C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000786232054 580664674 /nfs/dbraw/zinc/66/46/74/580664674.db2.gz XRXWMDKOXYIDCG-MRXNPFEDSA-N 1 1 334.376 1.510 20 5 EDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C[C@@H]21 ZINC000793657004 580850361 /nfs/dbraw/zinc/85/03/61/580850361.db2.gz UUWJFZVSXJIEAK-ZSHCYNCHSA-N 1 1 342.355 1.767 20 5 EDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C[C@@H]21 ZINC000793657004 580850362 /nfs/dbraw/zinc/85/03/62/580850362.db2.gz UUWJFZVSXJIEAK-ZSHCYNCHSA-N 1 1 342.355 1.767 20 5 EDBDMO CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000796558609 580956406 /nfs/dbraw/zinc/95/64/06/580956406.db2.gz XGKRBKSLIXBBRS-ZACQAIPSSA-N 1 1 336.388 1.898 20 5 EDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000796558609 580956407 /nfs/dbraw/zinc/95/64/07/580956407.db2.gz XGKRBKSLIXBBRS-ZACQAIPSSA-N 1 1 336.388 1.898 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000801569430 581080478 /nfs/dbraw/zinc/08/04/78/581080478.db2.gz RUNOKFRBJFQCSZ-CRAIPNDOSA-N 1 1 349.431 1.672 20 5 EDBDMO COc1ccc(CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000892211688 590865737 /nfs/dbraw/zinc/86/57/37/590865737.db2.gz LDNSKABCXHXIOC-ZDUSSCGKSA-N 1 1 336.392 1.839 20 5 EDBDMO CC[N@H+]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000893827854 591112899 /nfs/dbraw/zinc/11/28/99/591112899.db2.gz KLBNHDFIYGVHHC-LBPRGKRZSA-N 1 1 330.388 1.977 20 5 EDBDMO C[N@@H+]1C[C@@H]2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893937862 591143468 /nfs/dbraw/zinc/14/34/68/591143468.db2.gz AZRSRJRBACUROY-IINYFYTJSA-N 1 1 325.390 1.139 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893937862 591143469 /nfs/dbraw/zinc/14/34/69/591143469.db2.gz AZRSRJRBACUROY-IINYFYTJSA-N 1 1 325.390 1.139 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000892928927 591228063 /nfs/dbraw/zinc/22/80/63/591228063.db2.gz BVVMSMMILKLFBW-IUODEOHRSA-N 1 1 334.376 1.319 20 5 EDBDMO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1(F)F ZINC000894237763 591240630 /nfs/dbraw/zinc/24/06/30/591240630.db2.gz NOHOMXOGMIQEDD-JQWIXIFHSA-N 1 1 330.287 1.747 20 5 EDBDMO Cn1c2ccccc2c(SC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1=O ZINC000894334541 591282005 /nfs/dbraw/zinc/28/20/05/591282005.db2.gz CQQDGYUANVAHNF-NSHDSACASA-N 1 1 349.412 1.869 20 5 EDBDMO Cn1c2ccccc2c(SC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1=O ZINC000894334541 591282007 /nfs/dbraw/zinc/28/20/07/591282007.db2.gz CQQDGYUANVAHNF-NSHDSACASA-N 1 1 349.412 1.869 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C 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1 335.408 1.705 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373909177 157060441 /nfs/dbraw/zinc/06/04/41/157060441.db2.gz JWYKEEUKJFUIJU-PIGZYNQJSA-N 1 1 349.387 1.777 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000373909177 157060442 /nfs/dbraw/zinc/06/04/42/157060442.db2.gz JWYKEEUKJFUIJU-PIGZYNQJSA-N 1 1 349.387 1.777 20 5 EDBDMO C[N@@H+](C[C@H]1CC12CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000374293651 157228334 /nfs/dbraw/zinc/22/83/34/157228334.db2.gz CRZKVMZDBQNAKE-CYBMUJFWSA-N 1 1 347.419 1.514 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000374392262 157273166 /nfs/dbraw/zinc/27/31/66/157273166.db2.gz KMTOZZKZLKYAQW-IIAWOOMASA-N 1 1 336.388 1.693 20 5 EDBDMO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000374628476 157349624 /nfs/dbraw/zinc/34/96/24/157349624.db2.gz YYNWUOAWPRHWQS-JIMOISOXSA-N 1 1 329.360 1.671 20 5 EDBDMO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000376052574 157720945 /nfs/dbraw/zinc/72/09/45/157720945.db2.gz GZMQAUCNZXYYQL-IRUJWGPZSA-N 1 1 334.332 1.602 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000378399370 158163813 /nfs/dbraw/zinc/16/38/13/158163813.db2.gz FRFPUJFYKFPLTQ-LBPRGKRZSA-N 1 1 335.408 1.855 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000378525242 158199962 /nfs/dbraw/zinc/19/99/62/158199962.db2.gz ZLCJUMQFZWMVJT-UHFFFAOYSA-N 1 1 335.408 1.577 20 5 EDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000378538056 158203314 /nfs/dbraw/zinc/20/33/14/158203314.db2.gz FYYGCKWWVRHNEE-NWDGAFQWSA-N 1 1 334.376 1.160 20 5 EDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000378538056 158203316 /nfs/dbraw/zinc/20/33/16/158203316.db2.gz FYYGCKWWVRHNEE-NWDGAFQWSA-N 1 1 334.376 1.160 20 5 EDBDMO COc1cc(C(=O)NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000352395538 162160805 /nfs/dbraw/zinc/16/08/05/162160805.db2.gz KTUBQCPLUWGWAJ-UHFFFAOYSA-N 1 1 325.390 1.382 20 5 EDBDMO CC(C)CNC(=O)NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352539287 162240563 /nfs/dbraw/zinc/24/05/63/162240563.db2.gz WJVUMXBUPCRVCU-UHFFFAOYSA-N 1 1 336.392 1.551 20 5 EDBDMO CC(C)CNC(=O)NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352539287 162240565 /nfs/dbraw/zinc/24/05/65/162240565.db2.gz WJVUMXBUPCRVCU-UHFFFAOYSA-N 1 1 336.392 1.551 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000362018593 162306557 /nfs/dbraw/zinc/30/65/57/162306557.db2.gz BWAHVVWHFJGDJT-TZMCWYRMSA-N 1 1 339.417 1.618 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518254 162388647 /nfs/dbraw/zinc/38/86/47/162388647.db2.gz IAMVEZKHGOSUGM-WMZOPIPTSA-N 1 1 344.415 1.728 20 5 EDBDMO C[C@@H]1C[C@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000123351095 222262494 /nfs/dbraw/zinc/26/24/94/222262494.db2.gz NERCUBJEXGOOCM-UKRRQHHQSA-N 1 1 346.431 1.898 20 5 EDBDMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000275472105 268347680 /nfs/dbraw/zinc/34/76/80/268347680.db2.gz AOQQSSVQWZNNJE-AWEZNQCLSA-N 1 1 328.376 1.738 20 5 EDBDMO COCCC[N@H+](CCO)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000276046137 268393649 /nfs/dbraw/zinc/39/36/49/268393649.db2.gz TWRQBYXTGFSLND-UHFFFAOYSA-N 1 1 328.365 1.443 20 5 EDBDMO COCCC[N@@H+](CCO)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000276046137 268393650 /nfs/dbraw/zinc/39/36/50/268393650.db2.gz TWRQBYXTGFSLND-UHFFFAOYSA-N 1 1 328.365 1.443 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278886841 273267638 /nfs/dbraw/zinc/26/76/38/273267638.db2.gz NUBXLJMDWUYTFC-BDJLRTHQSA-N 1 1 332.360 1.134 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278886841 273267639 /nfs/dbraw/zinc/26/76/39/273267639.db2.gz NUBXLJMDWUYTFC-BDJLRTHQSA-N 1 1 332.360 1.134 20 5 EDBDMO COc1cc(C[NH2+][C@H](C)C(=O)NCCF)c([N+](=O)[O-])cc1OC ZINC000282594301 273684695 /nfs/dbraw/zinc/68/46/95/273684695.db2.gz HASOFYTVEOLQQY-SECBINFHSA-N 1 1 329.328 1.176 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)c1 ZINC000283898757 274002627 /nfs/dbraw/zinc/00/26/27/274002627.db2.gz JAEQATQWEPDQQX-LBPRGKRZSA-N 1 1 337.376 1.444 20 5 EDBDMO COCC[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000194584113 274029758 /nfs/dbraw/zinc/02/97/58/274029758.db2.gz LNEXRVIFWKZLKB-CYBMUJFWSA-N 1 1 336.392 1.186 20 5 EDBDMO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000284604693 274261183 /nfs/dbraw/zinc/26/11/83/274261183.db2.gz QBSQFJJJEDEAJK-GJZGRUSLSA-N 1 1 338.360 1.697 20 5 EDBDMO COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000284604693 274261186 /nfs/dbraw/zinc/26/11/86/274261186.db2.gz QBSQFJJJEDEAJK-GJZGRUSLSA-N 1 1 338.360 1.697 20 5 EDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000284630779 274271621 /nfs/dbraw/zinc/27/16/21/274271621.db2.gz BRPDRXGGQKEMDP-LQYUOIDQSA-N 1 1 341.371 1.515 20 5 EDBDMO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000284771117 274325444 /nfs/dbraw/zinc/32/54/44/274325444.db2.gz XKYATIKYGVFJGW-KBPBESRZSA-N 1 1 348.359 1.881 20 5 EDBDMO COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000284771117 274325445 /nfs/dbraw/zinc/32/54/45/274325445.db2.gz XKYATIKYGVFJGW-KBPBESRZSA-N 1 1 348.359 1.881 20 5 EDBDMO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000189891229 274349519 /nfs/dbraw/zinc/34/95/19/274349519.db2.gz NIPKNIAMNSBJEC-CQSZACIVSA-N 1 1 337.420 1.751 20 5 EDBDMO C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H](C)[N@@H+]1CCO ZINC000450797002 274371478 /nfs/dbraw/zinc/37/14/78/274371478.db2.gz RUKGCDGAIIFULY-TXEJJXNPSA-N 1 1 331.376 1.429 20 5 EDBDMO COC(=O)c1cnc(N2CCC3(CCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000372790477 277167838 /nfs/dbraw/zinc/16/78/38/277167838.db2.gz LDWIIAXBICKZGV-UHFFFAOYSA-N 1 1 334.376 1.841 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000264800043 279289248 /nfs/dbraw/zinc/28/92/48/279289248.db2.gz UBBZISHNAQPTDF-UHFFFAOYSA-N 1 1 335.360 1.534 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000420234056 281011065 /nfs/dbraw/zinc/01/10/65/281011065.db2.gz CHHOFHNTVASJHX-UHFFFAOYSA-N 1 1 342.403 1.982 20 5 EDBDMO Cc1c(CC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000291555213 289104761 /nfs/dbraw/zinc/10/47/61/289104761.db2.gz ZFQOMGXIHKLTFT-RHSMWYFYSA-N 1 1 347.415 1.767 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000291855199 289197632 /nfs/dbraw/zinc/19/76/32/289197632.db2.gz IFGVXCRBRPUQEC-HNNXBMFYSA-N 1 1 339.417 1.620 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292011721 289238156 /nfs/dbraw/zinc/23/81/56/289238156.db2.gz MTXRFFIDLUZFHI-AWEZNQCLSA-N 1 1 325.390 1.311 20 5 EDBDMO COc1cc(N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292386715 289332693 /nfs/dbraw/zinc/33/26/93/289332693.db2.gz TUYFCLGRVDZLIW-ZYHUDNBSSA-N 1 1 327.356 1.634 20 5 EDBDMO [NH3+]CC(F)(F)CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418538443 304509612 /nfs/dbraw/zinc/50/96/12/304509612.db2.gz LAXPWOPZKRUSOD-UHFFFAOYSA-N 1 1 328.319 1.863 20 5 EDBDMO Cc1nc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000294956465 303156942 /nfs/dbraw/zinc/15/69/42/303156942.db2.gz MXMFUPKFPAWQAJ-OAHLLOKOSA-N 1 1 343.387 1.524 20 5 EDBDMO COc1cc(CN[C@H]2CCC[N@H+](CCCO)C2)c([N+](=O)[O-])cc1O ZINC000295174923 303183876 /nfs/dbraw/zinc/18/38/76/303183876.db2.gz UVEFZNQWBWVBSN-ZDUSSCGKSA-N 1 1 339.392 1.245 20 5 EDBDMO COc1cc(CN[C@H]2CCC[N@@H+](CCCO)C2)c([N+](=O)[O-])cc1O ZINC000295174923 303183877 /nfs/dbraw/zinc/18/38/77/303183877.db2.gz UVEFZNQWBWVBSN-ZDUSSCGKSA-N 1 1 339.392 1.245 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C1CC1)C1COC1 ZINC000295460369 303222821 /nfs/dbraw/zinc/22/28/21/303222821.db2.gz QCTFKGRAHQSTPF-UHFFFAOYSA-N 1 1 335.360 1.795 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C(C)(C)C(N)=O ZINC000295697924 303254011 /nfs/dbraw/zinc/25/40/11/303254011.db2.gz MDPRTDXDNOCDTC-UHFFFAOYSA-N 1 1 338.364 1.128 20 5 EDBDMO CN(C)c1cc[nH+]c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000301696602 303690117 /nfs/dbraw/zinc/69/01/17/303690117.db2.gz PWCGFHBANLHMQJ-UHFFFAOYSA-N 1 1 328.376 1.777 20 5 EDBDMO CCCCCNC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440501985 305208264 /nfs/dbraw/zinc/20/82/64/305208264.db2.gz QVQFXZLSKROUPX-CYBMUJFWSA-N 1 1 335.408 1.782 20 5 EDBDMO CCCCCNC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440501985 305208265 /nfs/dbraw/zinc/20/82/65/305208265.db2.gz QVQFXZLSKROUPX-CYBMUJFWSA-N 1 1 335.408 1.782 20 5 EDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000440859373 305213671 /nfs/dbraw/zinc/21/36/71/305213671.db2.gz NFVNDHHCSJUSMP-ZDUSSCGKSA-N 1 1 341.433 1.974 20 5 EDBDMO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000448923305 305304359 /nfs/dbraw/zinc/30/43/59/305304359.db2.gz UJRZCFOWHDCQSI-AWEZNQCLSA-N 1 1 341.371 1.905 20 5 EDBDMO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000448923305 305304360 /nfs/dbraw/zinc/30/43/60/305304360.db2.gz UJRZCFOWHDCQSI-AWEZNQCLSA-N 1 1 341.371 1.905 20 5 EDBDMO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000448923305 305304361 /nfs/dbraw/zinc/30/43/61/305304361.db2.gz UJRZCFOWHDCQSI-AWEZNQCLSA-N 1 1 341.371 1.905 20 5 EDBDMO CCOc1ccc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000449574319 305314155 /nfs/dbraw/zinc/31/41/55/305314155.db2.gz WCTCNLHMODFLKO-HNNXBMFYSA-N 1 1 325.340 1.767 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000451630950 305357416 /nfs/dbraw/zinc/35/74/16/305357416.db2.gz MWHSVZOZWMVJMZ-OCCSQVGLSA-N 1 1 329.360 1.781 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@H](C)C1 ZINC000451676410 305361473 /nfs/dbraw/zinc/36/14/73/305361473.db2.gz FHUUTKZLJVGSDG-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@H](C)C1 ZINC000451676410 305361474 /nfs/dbraw/zinc/36/14/74/305361474.db2.gz FHUUTKZLJVGSDG-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000452392238 305397311 /nfs/dbraw/zinc/39/73/11/305397311.db2.gz QYVOZBVLBDCFPX-CYBMUJFWSA-N 1 1 346.387 1.653 20 5 EDBDMO COC(=O)C(C)(C)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453583937 305408116 /nfs/dbraw/zinc/40/81/16/305408116.db2.gz YSMIAPTZJIRHTI-UHFFFAOYSA-N 1 1 336.392 1.701 20 5 EDBDMO COc1cc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)ccc1[N+](=O)[O-] ZINC000537606597 306028344 /nfs/dbraw/zinc/02/83/44/306028344.db2.gz GIMYZQNBJZTZKD-CYBMUJFWSA-N 1 1 334.376 1.593 20 5 EDBDMO COc1cc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)ccc1[N+](=O)[O-] ZINC000537606597 306028345 /nfs/dbraw/zinc/02/83/45/306028345.db2.gz GIMYZQNBJZTZKD-CYBMUJFWSA-N 1 1 334.376 1.593 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000554522765 306194435 /nfs/dbraw/zinc/19/44/35/306194435.db2.gz DMPMZLQUDOBMGM-STQMWFEESA-N 1 1 336.392 1.191 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000554522762 306194444 /nfs/dbraw/zinc/19/44/44/306194444.db2.gz DMPMZLQUDOBMGM-CHWSQXEVSA-N 1 1 336.392 1.191 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000555242705 306200666 /nfs/dbraw/zinc/20/06/66/306200666.db2.gz WFPZSMASSVEVJC-NSHDSACASA-N 1 1 342.421 1.033 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000377830233 447375720 /nfs/dbraw/zinc/37/57/20/447375720.db2.gz BXWVTHKICORCHB-IPYPFGDCSA-N 1 1 340.387 1.706 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000046035059 441071643 /nfs/dbraw/zinc/07/16/43/441071643.db2.gz OWKBCCBTAFHOJG-LBPRGKRZSA-N 1 1 327.406 1.605 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000063645152 441340369 /nfs/dbraw/zinc/34/03/69/441340369.db2.gz VKQNUMZJYZLKSB-UHFFFAOYSA-N 1 1 343.355 1.197 20 5 EDBDMO Cc1cc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000074137759 441398825 /nfs/dbraw/zinc/39/88/25/441398825.db2.gz NTIDUKKYVXHFJM-ZDUSSCGKSA-N 1 1 334.420 1.517 20 5 EDBDMO Cc1nn(C)c(NC[C@H](CC(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000051651114 441418722 /nfs/dbraw/zinc/41/87/22/441418722.db2.gz DTSZUUAVVWSYIP-ZDUSSCGKSA-N 1 1 325.413 1.796 20 5 EDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085786087 441449620 /nfs/dbraw/zinc/44/96/20/441449620.db2.gz ZDAXSHNTRIIHFM-CYBMUJFWSA-N 1 1 341.433 1.698 20 5 EDBDMO COc1cc(OCC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000108307360 441442960 /nfs/dbraw/zinc/44/29/60/441442960.db2.gz DWLFOCUZYHFQJY-CYBMUJFWSA-N 1 1 349.387 1.583 20 5 EDBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCC[NH+]1CCOCC1 ZINC000066041862 441500408 /nfs/dbraw/zinc/50/04/08/441500408.db2.gz UXBFLPIXEBECAN-UHFFFAOYSA-N 1 1 346.387 1.388 20 5 EDBDMO Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075718260 441551336 /nfs/dbraw/zinc/55/13/36/441551336.db2.gz SNVPFRZXEAJJJP-GWCFXTLKSA-N 1 1 339.421 1.919 20 5 EDBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000076071289 441592694 /nfs/dbraw/zinc/59/26/94/441592694.db2.gz CCFBEGXKJTZMLO-FPMFFAJLSA-N 1 1 328.438 1.758 20 5 EDBDMO CNC(=O)c1ccc(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000090146484 441622901 /nfs/dbraw/zinc/62/29/01/441622901.db2.gz AGUMCEWVOIJKCC-KGLIPLIRSA-N 1 1 348.403 1.620 20 5 EDBDMO CNC(=O)c1ccc(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000090146484 441622903 /nfs/dbraw/zinc/62/29/03/441622903.db2.gz AGUMCEWVOIJKCC-KGLIPLIRSA-N 1 1 348.403 1.620 20 5 EDBDMO CCOc1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000067703057 441669601 /nfs/dbraw/zinc/66/96/01/441669601.db2.gz OKQHTIQMYXKPBG-NSHDSACASA-N 1 1 349.387 1.969 20 5 EDBDMO C[NH+]1CCN(c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccn2)CC1 ZINC000068317466 441772501 /nfs/dbraw/zinc/77/25/01/441772501.db2.gz OTIAWEUKNJUKTQ-UHFFFAOYSA-N 1 1 341.371 1.994 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2C)cc1OC ZINC000139181469 441806877 /nfs/dbraw/zinc/80/68/77/441806877.db2.gz KCGYNBIDHIAAJJ-LLVKDONJSA-N 1 1 337.376 1.826 20 5 EDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000092687694 441822067 /nfs/dbraw/zinc/82/20/67/441822067.db2.gz CXZYHNMUXJTTQI-OAHLLOKOSA-N 1 1 333.436 1.905 20 5 EDBDMO Cn1cc(C[C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cn1 ZINC000159865621 441842653 /nfs/dbraw/zinc/84/26/53/441842653.db2.gz WQXQJBWOYNAFJQ-ZDUSSCGKSA-N 1 1 331.376 1.055 20 5 EDBDMO CS(=O)(=O)NC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000123451634 441888852 /nfs/dbraw/zinc/88/88/52/441888852.db2.gz WNELOCYINWQQPN-GQCTYLIASA-N 1 1 339.417 1.622 20 5 EDBDMO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000069129105 441895788 /nfs/dbraw/zinc/89/57/88/441895788.db2.gz JMWLBWLLACYNOQ-NSHDSACASA-N 1 1 327.406 1.664 20 5 EDBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174859639 441975356 /nfs/dbraw/zinc/97/53/56/441975356.db2.gz QEZZHCIALAEAQO-CYBMUJFWSA-N 1 1 337.424 1.666 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000150712694 441934340 /nfs/dbraw/zinc/93/43/40/441934340.db2.gz BWUOAZYLRLJTSI-LBPRGKRZSA-N 1 1 337.376 1.302 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000078572662 441945390 /nfs/dbraw/zinc/94/53/90/441945390.db2.gz NLRBXBWBJJSSGB-NSHDSACASA-N 1 1 343.405 1.224 20 5 EDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161882711 442041050 /nfs/dbraw/zinc/04/10/50/442041050.db2.gz LIRCKBYPBYZPFB-IAQYHMDHSA-N 1 1 345.403 1.542 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)n1 ZINC000176250415 442199808 /nfs/dbraw/zinc/19/98/08/442199808.db2.gz SQAPUJZDVVNRDS-CYBMUJFWSA-N 1 1 341.375 1.714 20 5 EDBDMO CC(C)[N@@H+](C)CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000171247883 442333488 /nfs/dbraw/zinc/33/34/88/442333488.db2.gz IGUWXOLHEDWKBQ-UHFFFAOYSA-N 1 1 349.435 1.767 20 5 EDBDMO COC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000177445493 442342395 /nfs/dbraw/zinc/34/23/95/442342395.db2.gz DKKXMDXPWRGQTN-INIZCTEOSA-N 1 1 335.360 1.727 20 5 EDBDMO COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000177445493 442342398 /nfs/dbraw/zinc/34/23/98/442342398.db2.gz DKKXMDXPWRGQTN-INIZCTEOSA-N 1 1 335.360 1.727 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000171129021 442317701 /nfs/dbraw/zinc/31/77/01/442317701.db2.gz FBXFJIUXCFUMBF-UHFFFAOYSA-N 1 1 336.392 1.477 20 5 EDBDMO CNC(=O)CCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000155353563 442390435 /nfs/dbraw/zinc/39/04/35/442390435.db2.gz QEHFIYKHVSVKPR-UHFFFAOYSA-N 1 1 342.783 1.645 20 5 EDBDMO CNC(=O)CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000155353563 442390438 /nfs/dbraw/zinc/39/04/38/442390438.db2.gz QEHFIYKHVSVKPR-UHFFFAOYSA-N 1 1 342.783 1.645 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](OCCO)C3)o2)cc1 ZINC000172294720 442436819 /nfs/dbraw/zinc/43/68/19/442436819.db2.gz KMUCNZSEMQWHER-CQSZACIVSA-N 1 1 348.359 1.618 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](OCCO)C3)o2)cc1 ZINC000172294720 442436821 /nfs/dbraw/zinc/43/68/21/442436821.db2.gz KMUCNZSEMQWHER-CQSZACIVSA-N 1 1 348.359 1.618 20 5 EDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172421497 442458232 /nfs/dbraw/zinc/45/82/32/442458232.db2.gz PBXCGBFLVGKVPN-UHFFFAOYSA-N 1 1 335.408 1.658 20 5 EDBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186531845 442554710 /nfs/dbraw/zinc/55/47/10/442554710.db2.gz KFTBTQRNMRHENO-XDTLVQLUSA-N 1 1 334.332 1.133 20 5 EDBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186531845 442554712 /nfs/dbraw/zinc/55/47/12/442554712.db2.gz KFTBTQRNMRHENO-XDTLVQLUSA-N 1 1 334.332 1.133 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186822916 442617157 /nfs/dbraw/zinc/61/71/57/442617157.db2.gz UXUNDVOUHIRROB-LLVKDONJSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CC1(CO)CC1 ZINC000186822916 442617163 /nfs/dbraw/zinc/61/71/63/442617163.db2.gz UXUNDVOUHIRROB-LLVKDONJSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000193638769 442762705 /nfs/dbraw/zinc/76/27/05/442762705.db2.gz FWTYPXQVDAHSHJ-OQPBUACISA-N 1 1 340.767 1.301 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268169311 442882374 /nfs/dbraw/zinc/88/23/74/442882374.db2.gz PQAPTPUKMCJKOV-BXUZGUMPSA-N 1 1 339.417 1.664 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000183266682 442914676 /nfs/dbraw/zinc/91/46/76/442914676.db2.gz FFDYWIMGEOGBLJ-CYBMUJFWSA-N 1 1 327.406 1.417 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000183266682 442914679 /nfs/dbraw/zinc/91/46/79/442914679.db2.gz FFDYWIMGEOGBLJ-CYBMUJFWSA-N 1 1 327.406 1.417 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000265815930 442932179 /nfs/dbraw/zinc/93/21/79/442932179.db2.gz VPQAYRXTPQTPBG-GJZGRUSLSA-N 1 1 345.403 1.623 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000194700580 442939440 /nfs/dbraw/zinc/93/94/40/442939440.db2.gz DKQCTZZRQNDPRJ-CQSZACIVSA-N 1 1 329.360 1.605 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194746044 442948024 /nfs/dbraw/zinc/94/80/24/442948024.db2.gz CILAEAUMXFSQEX-CQSZACIVSA-N 1 1 343.387 1.580 20 5 EDBDMO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000265943283 442978806 /nfs/dbraw/zinc/97/88/06/442978806.db2.gz GEQMPOKCTPSUMY-ZBFHGGJFSA-N 1 1 337.420 1.608 20 5 EDBDMO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265943283 442978808 /nfs/dbraw/zinc/97/88/08/442978808.db2.gz GEQMPOKCTPSUMY-ZBFHGGJFSA-N 1 1 337.420 1.608 20 5 EDBDMO CN1CCC[C@@H](C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265943283 442978810 /nfs/dbraw/zinc/97/88/10/442978810.db2.gz GEQMPOKCTPSUMY-ZBFHGGJFSA-N 1 1 337.420 1.608 20 5 EDBDMO CN1CCC[C@@H](C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265943283 442978814 /nfs/dbraw/zinc/97/88/14/442978814.db2.gz GEQMPOKCTPSUMY-ZBFHGGJFSA-N 1 1 337.420 1.608 20 5 EDBDMO C[N@@H+](Cc1nc2ccccc2s1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266482120 443141475 /nfs/dbraw/zinc/14/14/75/443141475.db2.gz TXQLGOFWXVLKOZ-LBPRGKRZSA-N 1 1 347.400 1.894 20 5 EDBDMO C[N@H+](Cc1nc2ccccc2s1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266482120 443141478 /nfs/dbraw/zinc/14/14/78/443141478.db2.gz 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ZINC000420994405 446972389 /nfs/dbraw/zinc/97/23/89/446972389.db2.gz CCFHJSDLZUTINP-JKSUJKDBSA-N 1 1 332.404 1.726 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000377165771 446965016 /nfs/dbraw/zinc/96/50/16/446965016.db2.gz RFPIVUIVLUUSLS-BBRMVZONSA-N 1 1 335.404 1.898 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000368595582 446967448 /nfs/dbraw/zinc/96/74/48/446967448.db2.gz SWSIEKVZBUOEKH-ABAIWWIYSA-N 1 1 337.351 1.665 20 5 EDBDMO Cc1ccc(N2CC[N@@H+](C[C@H]3CN(C)CCO3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000371826776 446968046 /nfs/dbraw/zinc/96/80/46/446968046.db2.gz MRCXLLPFDRAFDY-HZPDHXFCSA-N 1 1 348.447 1.744 20 5 EDBDMO Cc1ccc(N2CC[N@H+](C[C@H]3CN(C)CCO3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000371826776 446968048 /nfs/dbraw/zinc/96/80/48/446968048.db2.gz MRCXLLPFDRAFDY-HZPDHXFCSA-N 1 1 348.447 1.744 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@H](CCO)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000421023519 446994933 /nfs/dbraw/zinc/99/49/33/446994933.db2.gz WHXAEUBPQPZRIA-AWEZNQCLSA-N 1 1 347.415 1.968 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000372375206 447051785 /nfs/dbraw/zinc/05/17/85/447051785.db2.gz VEBAGKGGKWEPNK-QWHCGFSZSA-N 1 1 335.360 1.284 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c2c(c1)COCO2 ZINC000425348909 447124301 /nfs/dbraw/zinc/12/43/01/447124301.db2.gz CUDZRJHNYTWEAE-SNVBAGLBSA-N 1 1 331.332 1.569 20 5 EDBDMO O=C1NCCN1[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000368804100 447119121 /nfs/dbraw/zinc/11/91/21/447119121.db2.gz FJAIHHNICSPNRW-CYBMUJFWSA-N 1 1 334.376 1.463 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000377492367 447162644 /nfs/dbraw/zinc/16/26/44/447162644.db2.gz JKHOUNSZPFZGNQ-GFCCVEGCSA-N 1 1 334.376 1.429 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425497857 447193162 /nfs/dbraw/zinc/19/31/62/447193162.db2.gz DTQOEXARMGWYAG-SWLSCSKDSA-N 1 1 344.375 1.850 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425497857 447193171 /nfs/dbraw/zinc/19/31/71/447193171.db2.gz DTQOEXARMGWYAG-SWLSCSKDSA-N 1 1 344.375 1.850 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1 ZINC000368948408 447219139 /nfs/dbraw/zinc/21/91/39/447219139.db2.gz CDMDLTNFULVODI-LBPRGKRZSA-N 1 1 337.376 1.132 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c1 ZINC000426825722 447505054 /nfs/dbraw/zinc/50/50/54/447505054.db2.gz RFWACXFBHXTIRD-WBVHZDCISA-N 1 1 346.387 1.096 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOC[C@H]2Cc2ccccc2)c1 ZINC000426825722 447505060 /nfs/dbraw/zinc/50/50/60/447505060.db2.gz RFWACXFBHXTIRD-WBVHZDCISA-N 1 1 346.387 1.096 20 5 EDBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000451894958 447775558 /nfs/dbraw/zinc/77/55/58/447775558.db2.gz SMUTZXIWAYXQAG-PWSUYJOCSA-N 1 1 347.293 1.439 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000451894958 447775562 /nfs/dbraw/zinc/77/55/62/447775562.db2.gz SMUTZXIWAYXQAG-PWSUYJOCSA-N 1 1 347.293 1.439 20 5 EDBDMO COC[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452034789 447806822 /nfs/dbraw/zinc/80/68/22/447806822.db2.gz FMZZHCZABIIPDX-OAHLLOKOSA-N 1 1 333.388 1.985 20 5 EDBDMO COC[C@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452034789 447806825 /nfs/dbraw/zinc/80/68/25/447806825.db2.gz FMZZHCZABIIPDX-OAHLLOKOSA-N 1 1 333.388 1.985 20 5 EDBDMO C[C@H]1C[C@H](O)C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000452072854 447810606 /nfs/dbraw/zinc/81/06/06/447810606.db2.gz WFNKVVUEFJPANG-AAEUAGOBSA-N 1 1 335.360 1.596 20 5 EDBDMO COc1cc(OCC(=O)NCC[N@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000524774684 447952251 /nfs/dbraw/zinc/95/22/51/447952251.db2.gz WGDNJXULKYCXID-GFCCVEGCSA-N 1 1 337.376 1.440 20 5 EDBDMO C[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000525086518 447967166 /nfs/dbraw/zinc/96/71/66/447967166.db2.gz AIFIHLVLJVJYNO-RYUDHWBXSA-N 1 1 342.421 1.389 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000576713408 448123195 /nfs/dbraw/zinc/12/31/95/448123195.db2.gz DTQLYECKXARNES-GFCCVEGCSA-N 1 1 349.387 1.921 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000514645195 448177052 /nfs/dbraw/zinc/17/70/52/448177052.db2.gz NLZMOQIQJFDJLO-RYUDHWBXSA-N 1 1 340.405 1.095 20 5 EDBDMO COc1ccc(NC(=O)CCN2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000591037720 448241460 /nfs/dbraw/zinc/24/14/60/448241460.db2.gz OYHBSOGTHJFQNL-BLLLJJGKSA-N 1 1 348.403 1.568 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000591037720 448241469 /nfs/dbraw/zinc/24/14/69/448241469.db2.gz OYHBSOGTHJFQNL-BLLLJJGKSA-N 1 1 348.403 1.568 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000591037720 448241477 /nfs/dbraw/zinc/24/14/77/448241477.db2.gz OYHBSOGTHJFQNL-BLLLJJGKSA-N 1 1 348.403 1.568 20 5 EDBDMO C[N@H+]1CC[C@](O)(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000577225326 448243508 /nfs/dbraw/zinc/24/35/08/448243508.db2.gz OGWIIJQXZVRMNC-OLZOCXBDSA-N 1 1 333.310 1.854 20 5 EDBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000591054325 448245971 /nfs/dbraw/zinc/24/59/71/448245971.db2.gz WMLITAURTRDXDE-SQWLQELKSA-N 1 1 345.399 1.577 20 5 EDBDMO CN1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1=O ZINC000515667104 448341656 /nfs/dbraw/zinc/34/16/56/448341656.db2.gz FMOQRMDTAOCVJZ-LBPRGKRZSA-N 1 1 334.376 1.476 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000582840690 448354735 /nfs/dbraw/zinc/35/47/35/448354735.db2.gz GWEUYRJQXNUTGI-OLZOCXBDSA-N 1 1 332.360 1.205 20 5 EDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000579002555 448693245 /nfs/dbraw/zinc/69/32/45/448693245.db2.gz QKTBHQCMOMCPPE-GFCCVEGCSA-N 1 1 333.392 1.376 20 5 EDBDMO Cc1ccc(C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2CC2)cn1 ZINC000592144880 448706431 /nfs/dbraw/zinc/70/64/31/448706431.db2.gz JZELVXVWFKMYHY-KRWDZBQOSA-N 1 1 345.403 1.768 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](OCCO)C2)c1 ZINC000589497906 449027272 /nfs/dbraw/zinc/02/72/72/449027272.db2.gz HSYWUFPUIQQYOT-AWEZNQCLSA-N 1 1 338.360 1.355 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](OCCO)C2)c1 ZINC000589497906 449027274 /nfs/dbraw/zinc/02/72/74/449027274.db2.gz HSYWUFPUIQQYOT-AWEZNQCLSA-N 1 1 338.360 1.355 20 5 EDBDMO C[N@H+]1C[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592879790 449033993 /nfs/dbraw/zinc/03/39/93/449033993.db2.gz CQLWYBSVDRZVKK-OCCSQVGLSA-N 1 1 329.360 1.393 20 5 EDBDMO Cc1nn(CCC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000597858176 449126365 /nfs/dbraw/zinc/12/63/65/449126365.db2.gz LKPOSSHLZZNWCW-CYBMUJFWSA-N 1 1 337.424 1.787 20 5 EDBDMO CO[C@@]1(CO)CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000595661643 449104122 /nfs/dbraw/zinc/10/41/22/449104122.db2.gz XYFCKJJYRGCFNG-RDJZCZTQSA-N 1 1 349.387 1.173 20 5 EDBDMO CO[C@@]1(CO)CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000595661643 449104126 /nfs/dbraw/zinc/10/41/26/449104126.db2.gz XYFCKJJYRGCFNG-RDJZCZTQSA-N 1 1 349.387 1.173 20 5 EDBDMO C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595773488 449158137 /nfs/dbraw/zinc/15/81/37/449158137.db2.gz XLVSDIPUDSWIRK-GXSJLCMTSA-N 1 1 337.332 1.107 20 5 EDBDMO C[C@H](O)[C@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595773488 449158138 /nfs/dbraw/zinc/15/81/38/449158138.db2.gz XLVSDIPUDSWIRK-GXSJLCMTSA-N 1 1 337.332 1.107 20 5 EDBDMO COc1cc(OCC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590440823 449162307 /nfs/dbraw/zinc/16/23/07/449162307.db2.gz CCUCNADQXPYDIZ-RISCZKNCSA-N 1 1 335.360 1.145 20 5 EDBDMO CC(C)(C(=O)NC1CC([NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000600068962 449170056 /nfs/dbraw/zinc/17/00/56/449170056.db2.gz ODVHXZQBQQVDLV-UHFFFAOYSA-N 1 1 347.415 1.852 20 5 EDBDMO C[N@H+](C[C@H]1COCCO1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595735949 449138906 /nfs/dbraw/zinc/13/89/06/449138906.db2.gz JLBJDKBWALADIM-GJZGRUSLSA-N 1 1 335.360 1.047 20 5 EDBDMO C[N@@H+](C[C@H]1COCCO1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595735949 449138908 /nfs/dbraw/zinc/13/89/08/449138908.db2.gz JLBJDKBWALADIM-GJZGRUSLSA-N 1 1 335.360 1.047 20 5 EDBDMO C[N@H+](C[C@H]1COCCO1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595735953 449138969 /nfs/dbraw/zinc/13/89/69/449138969.db2.gz JLBJDKBWALADIM-LSDHHAIUSA-N 1 1 335.360 1.047 20 5 EDBDMO C[N@@H+](C[C@H]1COCCO1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595735953 449138971 /nfs/dbraw/zinc/13/89/71/449138971.db2.gz JLBJDKBWALADIM-LSDHHAIUSA-N 1 1 335.360 1.047 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595739930 449141149 /nfs/dbraw/zinc/14/11/49/449141149.db2.gz LMOFJRYZSRWNAY-JSGCOSHPSA-N 1 1 346.387 1.442 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595739930 449141152 /nfs/dbraw/zinc/14/11/52/449141152.db2.gz LMOFJRYZSRWNAY-JSGCOSHPSA-N 1 1 346.387 1.442 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595739918 449141222 /nfs/dbraw/zinc/14/12/22/449141222.db2.gz LKPLUSOTKBLULJ-JHJVBQTASA-N 1 1 346.387 1.522 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595739918 449141223 /nfs/dbraw/zinc/14/12/23/449141223.db2.gz LKPLUSOTKBLULJ-JHJVBQTASA-N 1 1 346.387 1.522 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000593694587 449150498 /nfs/dbraw/zinc/15/04/98/449150498.db2.gz OBARCCRHUCLFKZ-NSHDSACASA-N 1 1 326.349 1.349 20 5 EDBDMO C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000597941599 449151097 /nfs/dbraw/zinc/15/10/97/449151097.db2.gz CHKQZENEROTTLP-LBPRGKRZSA-N 1 1 338.408 1.302 20 5 EDBDMO C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000597941599 449151099 /nfs/dbraw/zinc/15/10/99/449151099.db2.gz CHKQZENEROTTLP-LBPRGKRZSA-N 1 1 338.408 1.302 20 5 EDBDMO Nc1ccc(N2CC[NH+](CCOc3ccccc3)CC2)nc1[N+](=O)[O-] ZINC000590570683 449196032 /nfs/dbraw/zinc/19/60/32/449196032.db2.gz UJYACDMCANHQHG-UHFFFAOYSA-N 1 1 343.387 1.773 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595867052 449218374 /nfs/dbraw/zinc/21/83/74/449218374.db2.gz KAVUJWBNICUNOH-CQSZACIVSA-N 1 1 339.298 1.358 20 5 EDBDMO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3c([N+](=O)[O-])cnn3C)C2)c1 ZINC000601848813 449181957 /nfs/dbraw/zinc/18/19/57/449181957.db2.gz COTGBGKNTPTBSJ-AWEZNQCLSA-N 1 1 343.387 1.641 20 5 EDBDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595825744 449189046 /nfs/dbraw/zinc/18/90/46/449189046.db2.gz GDMGLBOQMZRTEZ-AWEZNQCLSA-N 1 1 336.392 1.661 20 5 EDBDMO Cc1cc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000600105413 449191668 /nfs/dbraw/zinc/19/16/68/449191668.db2.gz PSABSHUGPDPIJB-UHFFFAOYSA-N 1 1 333.388 1.840 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593337878 449231156 /nfs/dbraw/zinc/23/11/56/449231156.db2.gz FEFKCTSPUSSGCJ-UHFFFAOYSA-N 1 1 335.404 1.707 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271551 449245673 /nfs/dbraw/zinc/24/56/73/449245673.db2.gz TVMCSYJJIGHZTK-NSHDSACASA-N 1 1 335.360 1.324 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c1 ZINC000593994751 449315604 /nfs/dbraw/zinc/31/56/04/449315604.db2.gz JDJWSJVQCUQQHG-ZDUSSCGKSA-N 1 1 335.360 1.434 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c1 ZINC000593994751 449315607 /nfs/dbraw/zinc/31/56/07/449315607.db2.gz JDJWSJVQCUQQHG-ZDUSSCGKSA-N 1 1 335.360 1.434 20 5 EDBDMO C[N@H+]1CC[C@@H](CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000602072309 449321904 /nfs/dbraw/zinc/32/19/04/449321904.db2.gz XNIRRVLEVXMSKC-AWEZNQCLSA-N 1 1 332.404 1.585 20 5 EDBDMO C[C@@H](O)C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000594054348 449341177 /nfs/dbraw/zinc/34/11/77/449341177.db2.gz DTOXMTBYEZZJBW-SECBINFHSA-N 1 1 337.332 1.107 20 5 EDBDMO C[C@@H](O)C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000594054348 449341180 /nfs/dbraw/zinc/34/11/80/449341180.db2.gz DTOXMTBYEZZJBW-SECBINFHSA-N 1 1 337.332 1.107 20 5 EDBDMO C[N@H+](CCc1cnccn1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611564295 449339421 /nfs/dbraw/zinc/33/94/21/449339421.db2.gz LYGLGCDGRZAYOI-UHFFFAOYSA-N 1 1 330.344 1.831 20 5 EDBDMO C[N@@H+](CCc1cnccn1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611564295 449339425 /nfs/dbraw/zinc/33/94/25/449339425.db2.gz LYGLGCDGRZAYOI-UHFFFAOYSA-N 1 1 330.344 1.831 20 5 EDBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CC(C[NH+]2CCOCC2)C1 ZINC000596239886 449434687 /nfs/dbraw/zinc/43/46/87/449434687.db2.gz NOZQDDWOCVZDOQ-UHFFFAOYSA-N 1 1 328.372 1.911 20 5 EDBDMO COC(=O)c1ccnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000598606938 449489120 /nfs/dbraw/zinc/48/91/20/449489120.db2.gz GYBZRRIJWWFQCO-WCQYABFASA-N 1 1 334.376 1.697 20 5 EDBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000596466696 449516623 /nfs/dbraw/zinc/51/66/23/449516623.db2.gz GKWKGVXQFRYZLE-CQSZACIVSA-N 1 1 342.403 1.720 20 5 EDBDMO COc1cccc([N+](=O)[O-])c1N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000594556282 449574961 /nfs/dbraw/zinc/57/49/61/449574961.db2.gz LYHUJOMBUKEZHU-AWEZNQCLSA-N 1 1 334.420 1.820 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598778978 449597493 /nfs/dbraw/zinc/59/74/93/449597493.db2.gz CTYCTASBUXSHFU-GFCCVEGCSA-N 1 1 334.376 1.547 20 5 EDBDMO CN(C)c1ncc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)n1C ZINC000601150466 449719012 /nfs/dbraw/zinc/71/90/12/449719012.db2.gz XVLDPGSZWARPHJ-INIZCTEOSA-N 1 1 333.392 1.392 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CC[N@H+]3C3CCCCC3)nn21 ZINC000599128006 449750947 /nfs/dbraw/zinc/75/09/47/449750947.db2.gz UJOUHDNJTGXNMP-ZDUSSCGKSA-N 1 1 330.392 2.456 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602695804 449755864 /nfs/dbraw/zinc/75/58/64/449755864.db2.gz OELKQCGNJIAQLE-RYUDHWBXSA-N 1 1 334.376 1.623 20 5 EDBDMO C[C@H]1OCC[C@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000602763627 449789267 /nfs/dbraw/zinc/78/92/67/449789267.db2.gz REBGFWANXXURTA-NEPJUHHUSA-N 1 1 339.417 1.839 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])s1 ZINC000601361779 449874656 /nfs/dbraw/zinc/87/46/56/449874656.db2.gz OUWURNASEBAFLK-MNOVXSKESA-N 1 1 345.446 1.822 20 5 EDBDMO Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)CC1([NH+](C)C)CC1)CC2 ZINC000601384614 449901964 /nfs/dbraw/zinc/90/19/64/449901964.db2.gz DHKJLQAGRQVRKA-UHFFFAOYSA-N 1 1 339.417 1.690 20 5 EDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000602894085 449902150 /nfs/dbraw/zinc/90/21/50/449902150.db2.gz YGSYVXQLMCXNKE-LLVKDONJSA-N 1 1 335.330 1.750 20 5 EDBDMO C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](CO)C1 ZINC000602904688 449909833 /nfs/dbraw/zinc/90/98/33/449909833.db2.gz JWLKJEHXNWUCHP-LBPRGKRZSA-N 1 1 333.310 1.722 20 5 EDBDMO C[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](CO)C1 ZINC000602904688 449909839 /nfs/dbraw/zinc/90/98/39/449909839.db2.gz JWLKJEHXNWUCHP-LBPRGKRZSA-N 1 1 333.310 1.722 20 5 EDBDMO COc1ccc(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383400 450021440 /nfs/dbraw/zinc/02/14/40/450021440.db2.gz NFKPNMAHCPDJHO-CQSZACIVSA-N 1 1 333.388 1.746 20 5 EDBDMO COCC[N@@H+]1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609354239 450018408 /nfs/dbraw/zinc/01/84/08/450018408.db2.gz YKFVBRSTDUEMQW-CYBMUJFWSA-N 1 1 337.376 1.176 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609354239 450018414 /nfs/dbraw/zinc/01/84/14/450018414.db2.gz YKFVBRSTDUEMQW-CYBMUJFWSA-N 1 1 337.376 1.176 20 5 EDBDMO CCn1cc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000609614132 450068985 /nfs/dbraw/zinc/06/89/85/450068985.db2.gz LTEAAGOYJQVHGI-OAHLLOKOSA-N 1 1 334.376 1.683 20 5 EDBDMO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609560135 450051663 /nfs/dbraw/zinc/05/16/63/450051663.db2.gz VMPMEODWESMRJP-ZDUSSCGKSA-N 1 1 335.408 1.163 20 5 EDBDMO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000618284567 450115667 /nfs/dbraw/zinc/11/56/67/450115667.db2.gz QBKWVAXAHJZRMQ-WBMJQRKESA-N 1 1 345.403 1.624 20 5 EDBDMO CCC(O)(CC)C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599674023 450144278 /nfs/dbraw/zinc/14/42/78/450144278.db2.gz YOVYKXNJOPDHEJ-UHFFFAOYSA-N 1 1 335.404 1.967 20 5 EDBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000599689058 450154183 /nfs/dbraw/zinc/15/41/83/450154183.db2.gz CFQUJMOQCKSPOV-LBPRGKRZSA-N 1 1 327.406 1.356 20 5 EDBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000599689058 450154188 /nfs/dbraw/zinc/15/41/88/450154188.db2.gz CFQUJMOQCKSPOV-LBPRGKRZSA-N 1 1 327.406 1.356 20 5 EDBDMO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597696761 450203869 /nfs/dbraw/zinc/20/38/69/450203869.db2.gz YHUYZVUAPVELPS-HUUCEWRRSA-N 1 1 335.360 1.236 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597696761 450203872 /nfs/dbraw/zinc/20/38/72/450203872.db2.gz YHUYZVUAPVELPS-HUUCEWRRSA-N 1 1 335.360 1.236 20 5 EDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C2 ZINC000597715565 450217212 /nfs/dbraw/zinc/21/72/12/450217212.db2.gz MPORIOIPPKGWSA-INIZCTEOSA-N 1 1 335.408 1.471 20 5 EDBDMO COC[C@@H](C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)OC ZINC000595505721 450192354 /nfs/dbraw/zinc/19/23/54/450192354.db2.gz VAUFYPBNGGJRPG-CYBMUJFWSA-N 1 1 337.376 1.014 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000603401243 450281973 /nfs/dbraw/zinc/28/19/73/450281973.db2.gz KJWNBIPBXPTSKX-LBPRGKRZSA-N 1 1 337.424 1.809 20 5 EDBDMO COc1cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])cc1F ZINC000595605807 450258438 /nfs/dbraw/zinc/25/84/38/450258438.db2.gz GZPWEUYDNGWWNV-NSHDSACASA-N 1 1 335.339 1.856 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])cc1F ZINC000595605807 450258440 /nfs/dbraw/zinc/25/84/40/450258440.db2.gz GZPWEUYDNGWWNV-NSHDSACASA-N 1 1 335.339 1.856 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000524790149 486871911 /nfs/dbraw/zinc/87/19/11/486871911.db2.gz HYYOXUKOTLINBI-SNVBAGLBSA-N 1 1 347.824 1.868 20 5 EDBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000610399655 491191898 /nfs/dbraw/zinc/19/18/98/491191898.db2.gz XCHHVHWBFSMBOR-CHWSQXEVSA-N 1 1 348.403 1.171 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000174864085 534889285 /nfs/dbraw/zinc/88/92/85/534889285.db2.gz UPZKVTYDPXKFGI-GFCCVEGCSA-N 1 1 331.380 1.209 20 5 EDBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000154441414 528545552 /nfs/dbraw/zinc/54/55/52/528545552.db2.gz OVBJTVJBISCQGU-AAEUAGOBSA-N 1 1 335.408 1.827 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000154441414 528545558 /nfs/dbraw/zinc/54/55/58/528545558.db2.gz OVBJTVJBISCQGU-AAEUAGOBSA-N 1 1 335.408 1.827 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000154441414 528545562 /nfs/dbraw/zinc/54/55/62/528545562.db2.gz OVBJTVJBISCQGU-AAEUAGOBSA-N 1 1 335.408 1.827 20 5 EDBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181900229 529236040 /nfs/dbraw/zinc/23/60/40/529236040.db2.gz HHAGNPLTBNRXLX-OFQRWUPVSA-N 1 1 338.404 1.960 20 5 EDBDMO CC(C)N1C(=O)N[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000345564614 535140953 /nfs/dbraw/zinc/14/09/53/535140953.db2.gz ZMHAAALVAZTCOF-JKSUJKDBSA-N 1 1 348.403 1.850 20 5 EDBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000266960411 536302758 /nfs/dbraw/zinc/30/27/58/536302758.db2.gz UHXYPMQOPCDJIC-GFCCVEGCSA-N 1 1 335.360 1.304 20 5 EDBDMO CN1C(=O)N[C@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000345668346 536326677 /nfs/dbraw/zinc/32/66/77/536326677.db2.gz SNMNBCORQZWEIU-KBPBESRZSA-N 1 1 347.375 1.021 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)[N@@H+](C)C1 ZINC000346620145 536775260 /nfs/dbraw/zinc/77/52/60/536775260.db2.gz MFCGDDAOQCYTIH-LSDHHAIUSA-N 1 1 336.392 1.455 20 5 EDBDMO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732033750 578687673 /nfs/dbraw/zinc/68/76/73/578687673.db2.gz ARILZUYJQQBDTL-GFCCVEGCSA-N 1 1 334.332 1.812 20 5 EDBDMO Cc1nn(CCC(=O)OCCCn2cc[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000767623652 580195517 /nfs/dbraw/zinc/19/55/17/580195517.db2.gz ZHYQHXYILVOXDQ-UHFFFAOYSA-N 1 1 335.364 1.937 20 5 EDBDMO COc1cccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000767774248 580199116 /nfs/dbraw/zinc/19/91/16/580199116.db2.gz GDHDEMWLZGKVPZ-VXGBXAGGSA-N 1 1 335.360 1.196 20 5 EDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771510077 580288162 /nfs/dbraw/zinc/28/81/62/580288162.db2.gz RJVWGFJSPVVFBE-LLVKDONJSA-N 1 1 347.400 1.814 20 5 EDBDMO O=C1CCCN1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582408 580422243 /nfs/dbraw/zinc/42/22/43/580422243.db2.gz QAAKEBAZOCVMNY-CVEARBPZSA-N 1 1 333.388 1.715 20 5 EDBDMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000781609938 580553287 /nfs/dbraw/zinc/55/32/87/580553287.db2.gz HILUSELXTTYYOL-LBPRGKRZSA-N 1 1 348.359 1.789 20 5 EDBDMO CCCC[N@@H+](C)CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781974675 580562223 /nfs/dbraw/zinc/56/22/23/580562223.db2.gz MXPPFVPTWAWPJN-INIZCTEOSA-N 1 1 348.403 1.936 20 5 EDBDMO 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AWKCEDYNBIFVTM-MNOVXSKESA-N 1 1 325.340 1.261 20 5 EDBDMO [NH3+]CC(F)(F)CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843461887 595119045 /nfs/dbraw/zinc/11/90/45/595119045.db2.gz UDDQKUSIKJPHDF-UHFFFAOYSA-N 1 1 325.674 1.640 20 5 EDBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000106403676 595284282 /nfs/dbraw/zinc/28/42/82/595284282.db2.gz CMZASDGGUJZOSH-UHFFFAOYSA-N 1 1 341.795 1.777 20 5 EDBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000843119844 595291769 /nfs/dbraw/zinc/29/17/69/595291769.db2.gz YEPPQERVIHINOB-LSDHHAIUSA-N 1 1 348.403 1.711 20 5 EDBDMO C[C@@H]1COCCC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483093 595391195 /nfs/dbraw/zinc/39/11/95/595391195.db2.gz YFCFSRRWTAPKKJ-CZUORRHYSA-N 1 1 333.388 1.979 20 5 EDBDMO C[C@@H]1COCCC[N@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483093 595391198 /nfs/dbraw/zinc/39/11/98/595391198.db2.gz YFCFSRRWTAPKKJ-CZUORRHYSA-N 1 1 333.388 1.979 20 5 EDBDMO C[N@@H+]1CCC[C@H](NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848581005 595408245 /nfs/dbraw/zinc/40/82/45/595408245.db2.gz IXESFIZKPMQULI-JTQLQIEISA-N 1 1 329.303 1.777 20 5 EDBDMO C[N@H+]1CCC[C@H](NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848581005 595408248 /nfs/dbraw/zinc/40/82/48/595408248.db2.gz IXESFIZKPMQULI-JTQLQIEISA-N 1 1 329.303 1.777 20 5 EDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000845344373 595482485 /nfs/dbraw/zinc/48/24/85/595482485.db2.gz VWQIJADOFCMVHZ-ZIAGYGMSSA-N 1 1 337.351 1.256 20 5 EDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000845344369 595482528 /nfs/dbraw/zinc/48/25/28/595482528.db2.gz VWQIJADOFCMVHZ-KBPBESRZSA-N 1 1 337.351 1.256 20 5 EDBDMO Cn1cc(COC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000847785242 595483582 /nfs/dbraw/zinc/48/35/82/595483582.db2.gz KMLVGXRJYXOVMN-CQSZACIVSA-N 1 1 328.344 1.584 20 5 EDBDMO Cc1cc(F)cc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000847942744 595502994 /nfs/dbraw/zinc/50/29/94/595502994.db2.gz PSZZXRZXSWRLOH-UHFFFAOYSA-N 1 1 333.323 1.728 20 5 EDBDMO C[C@@]12COC[C@H]1C[N@@H+](Cn1cnc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000853567173 595807255 /nfs/dbraw/zinc/80/72/55/595807255.db2.gz ULVJAVACMUFIGV-CZUORRHYSA-N 1 1 329.360 1.779 20 5 EDBDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000853773358 595876317 /nfs/dbraw/zinc/87/63/17/595876317.db2.gz AZDFFUKVNWAKKJ-ZDUSSCGKSA-N 1 1 334.424 1.926 20 5 EDBDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000853773358 595876313 /nfs/dbraw/zinc/87/63/13/595876313.db2.gz AZDFFUKVNWAKKJ-ZDUSSCGKSA-N 1 1 334.424 1.926 20 5 EDBDMO COC(=O)[C@@]1(OC)CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000863298204 596543506 /nfs/dbraw/zinc/54/35/06/596543506.db2.gz UPJYOWRWZKLURB-MRXNPFEDSA-N 1 1 348.359 1.474 20 5 EDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000863298204 596543507 /nfs/dbraw/zinc/54/35/07/596543507.db2.gz UPJYOWRWZKLURB-MRXNPFEDSA-N 1 1 348.359 1.474 20 5 EDBDMO Cc1cc(-c2noc([C@@H](C)N3CC[NH2+]CC3=O)n2)cc([N+](=O)[O-])c1 ZINC000863678267 596655585 /nfs/dbraw/zinc/65/55/85/596655585.db2.gz QKKLDNGJJXFZQV-SNVBAGLBSA-N 1 1 331.332 1.446 20 5 EDBDMO C[N@H+]1CCN(CCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1(C)C ZINC000865757431 596672348 /nfs/dbraw/zinc/67/23/48/596672348.db2.gz RGWJQJBFRGDKOF-UHFFFAOYSA-N 1 1 340.399 1.664 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])n1C ZINC000865780655 596680966 /nfs/dbraw/zinc/68/09/66/596680966.db2.gz OVCGBANKXIVTHQ-UHFFFAOYSA-N 1 1 335.339 1.392 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206761 596826560 /nfs/dbraw/zinc/82/65/60/596826560.db2.gz FVQOJFKVPVGMJM-WCQYABFASA-N 1 1 334.376 1.615 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)CC[C@H]21 ZINC000866206688 596826692 /nfs/dbraw/zinc/82/66/92/596826692.db2.gz FKQALGQGXHJCAW-WCQYABFASA-N 1 1 339.417 1.529 20 5 EDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866207212 596827070 /nfs/dbraw/zinc/82/70/70/596827070.db2.gz ANARQQYKTNXYGK-DTWKUNHWSA-N 1 1 333.314 1.878 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874363047 597033682 /nfs/dbraw/zinc/03/36/82/597033682.db2.gz KCYUOSLAHQGSIO-KBPBESRZSA-N 1 1 346.387 1.537 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC[C@H]21 ZINC000872725586 597047393 /nfs/dbraw/zinc/04/73/93/597047393.db2.gz UTIHBHDDMLEOIW-DGCLKSJQSA-N 1 1 344.371 1.174 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(Cn3cc(Br)c([N+](=O)[O-])n3)CC[C@H]21 ZINC000872726953 597048005 /nfs/dbraw/zinc/04/80/05/597048005.db2.gz XICNWLKUTOKFRM-MWLCHTKSSA-N 1 1 344.213 1.537 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000874437954 597078977 /nfs/dbraw/zinc/07/89/77/597078977.db2.gz VQNCMHNOBRMLMY-HOTGVXAUSA-N 1 1 347.415 1.883 20 5 EDBDMO C[C@@H](CCN1CCN(C)CC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877405421 597510958 /nfs/dbraw/zinc/51/09/58/597510958.db2.gz KFKHNSGABQHBRI-NFOMZHRRSA-N 1 1 336.440 1.110 20 5 EDBDMO O=[N+]([O-])c1ccc(CN2CC[NH+](CCc3cnccn3)CC2)cc1F ZINC000879422388 597913475 /nfs/dbraw/zinc/91/34/75/597913475.db2.gz ZAXDFSDIFZLCNZ-UHFFFAOYSA-N 1 1 345.378 1.884 20 5 EDBDMO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000880423033 597928153 /nfs/dbraw/zinc/92/81/53/597928153.db2.gz AXZPDDJZYNNRES-CABCVRRESA-N 1 1 338.360 1.697 20 5 EDBDMO CO[C@H]1COCC[C@H]1[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000880427064 597929180 /nfs/dbraw/zinc/92/91/80/597929180.db2.gz AJXASFAAFJPMKU-OCCSQVGLSA-N 1 1 337.376 1.577 20 5 EDBDMO CO[C@H]1COCC[C@H]1[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000880427064 597929183 /nfs/dbraw/zinc/92/91/83/597929183.db2.gz AJXASFAAFJPMKU-OCCSQVGLSA-N 1 1 337.376 1.577 20 5 EDBDMO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000882396941 597956231 /nfs/dbraw/zinc/95/62/31/597956231.db2.gz OAAIXLPBQVGZEN-BZUAXINKSA-N 1 1 330.388 1.575 20 5 EDBDMO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000882396941 597956232 /nfs/dbraw/zinc/95/62/32/597956232.db2.gz OAAIXLPBQVGZEN-BZUAXINKSA-N 1 1 330.388 1.575 20 5 EDBDMO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000882396941 597956235 /nfs/dbraw/zinc/95/62/35/597956235.db2.gz OAAIXLPBQVGZEN-BZUAXINKSA-N 1 1 330.388 1.575 20 5 EDBDMO Cc1c(Cn2cc(CCC[NH+]3CCOCC3)nn2)cccc1[N+](=O)[O-] ZINC000881196149 598096287 /nfs/dbraw/zinc/09/62/87/598096287.db2.gz VTHUISHSQUJBLG-UHFFFAOYSA-N 1 1 345.403 1.808 20 5 EDBDMO Cc1c(Br)c(=O)n(C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000917468140 697026094 /nfs/dbraw/zinc/02/60/94/697026094.db2.gz JOWPZSULWPVLTP-VIFPVBQESA-N 1 1 330.182 1.922 20 5 EDBDMO Cc1c(Br)c(=O)n(C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000917468140 697026097 /nfs/dbraw/zinc/02/60/97/697026097.db2.gz JOWPZSULWPVLTP-VIFPVBQESA-N 1 1 330.182 1.922 20 5 EDBDMO CCn1cc(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC001031587574 697283218 /nfs/dbraw/zinc/28/32/18/697283218.db2.gz LXZCAITXGTZWAL-UHFFFAOYSA-N 1 1 343.387 1.673 20 5 EDBDMO C[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000170787958 697338965 /nfs/dbraw/zinc/33/89/65/697338965.db2.gz CVMPAVSISZYIJE-VIFPVBQESA-N 1 1 331.369 1.495 20 5 EDBDMO C[C@H]1[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC[N@H+]1C ZINC000925334801 697531444 /nfs/dbraw/zinc/53/14/44/697531444.db2.gz NPPRVXDYAPSQRU-NHYWBVRUSA-N 1 1 334.376 1.460 20 5 EDBDMO Cc1ncc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)n1C ZINC001031923930 701106218 /nfs/dbraw/zinc/10/62/18/701106218.db2.gz YCBQMTCPMRZOAI-UHFFFAOYSA-N 1 1 343.387 1.499 20 5 EDBDMO Cc1cncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001034643250 710319318 /nfs/dbraw/zinc/31/93/18/710319318.db2.gz LJDIYBPMTZJUMA-KLHDSHLOSA-N 1 1 332.404 1.572 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034643300 710319372 /nfs/dbraw/zinc/31/93/72/710319372.db2.gz MEQOVDDYGDMTNK-QHSBEEBCSA-N 1 1 336.367 1.403 20 5 EDBDMO Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001034643825 710319735 /nfs/dbraw/zinc/31/97/35/710319735.db2.gz UDPPZUQAOQMYMP-DDHJBXDOSA-N 1 1 339.421 1.029 20 5 EDBDMO CCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412097174 303969805 /nfs/dbraw/zinc/96/98/05/303969805.db2.gz OGCHFKLANLABEB-DLBZAZTESA-N 1 1 347.415 1.879 20 5 EDBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])CC2 ZINC000561081217 306281915 /nfs/dbraw/zinc/28/19/15/306281915.db2.gz FTWBXVHCAAFLCV-ZDUSSCGKSA-N 1 1 343.387 1.890 20 5 EDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000440832145 305213085 /nfs/dbraw/zinc/21/30/85/305213085.db2.gz KQDOAKSRMBZRDI-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO CC[N@H+]1CC[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000412837550 304039726 /nfs/dbraw/zinc/03/97/26/304039726.db2.gz JYLNYHQDYLKGSZ-LBPRGKRZSA-N 1 1 335.360 1.119 20 5 EDBDMO Cc1ccc(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000184305182 235362340 /nfs/dbraw/zinc/36/23/40/235362340.db2.gz MEXWQIQXPLBCOS-AWEZNQCLSA-N 1 1 334.420 1.659 20 5 EDBDMO CCCNC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413087280 304057734 /nfs/dbraw/zinc/05/77/34/304057734.db2.gz DUUGOKLALLDAHD-UHFFFAOYSA-N 1 1 339.371 1.531 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000081293469 138266052 /nfs/dbraw/zinc/26/60/52/138266052.db2.gz KBVSSNMMOAYMPR-OAHLLOKOSA-N 1 1 349.435 1.871 20 5 EDBDMO O=C(NCCC[NH+]1CCOCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088478476 138272482 /nfs/dbraw/zinc/27/24/82/138272482.db2.gz IABVNUWCOMDQOZ-UHFFFAOYSA-N 1 1 348.403 1.385 20 5 EDBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[N@H+](C)C1 ZINC000413926556 304090890 /nfs/dbraw/zinc/09/08/90/304090890.db2.gz WKVDZGUUVKGEFS-JTQLQIEISA-N 1 1 341.389 1.142 20 5 EDBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[N@@H+](C)C1 ZINC000413926556 304090891 /nfs/dbraw/zinc/09/08/91/304090891.db2.gz WKVDZGUUVKGEFS-JTQLQIEISA-N 1 1 341.389 1.142 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000359875094 201114338 /nfs/dbraw/zinc/11/43/38/201114338.db2.gz RPXPTORAMAVDJC-HNNXBMFYSA-N 1 1 328.372 1.716 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC2=CC[N@@H+](C)CC2)cc([N+](=O)[O-])c1F ZINC000273919456 201264331 /nfs/dbraw/zinc/26/43/31/201264331.db2.gz JNUUZCIZEZRHTC-UHFFFAOYSA-N 1 1 343.380 1.583 20 5 EDBDMO O=c1c(Br)cn(CCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000132508421 223338429 /nfs/dbraw/zinc/33/84/29/223338429.db2.gz FRVCTENLYBHNJP-UHFFFAOYSA-N 1 1 346.181 1.241 20 5 EDBDMO O=[N+]([O-])c1cccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414989714 304148705 /nfs/dbraw/zinc/14/87/05/304148705.db2.gz QWAPQFDYZUHYCY-ZDUSSCGKSA-N 1 1 332.326 1.521 20 5 EDBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000103284725 204071804 /nfs/dbraw/zinc/07/18/04/204071804.db2.gz MTWYCKPLTXYKFY-GHMZBOCLSA-N 1 1 335.360 1.547 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000104748194 204117889 /nfs/dbraw/zinc/11/78/89/204117889.db2.gz CMDOYBVNWQVLAF-GFCCVEGCSA-N 1 1 327.406 1.475 20 5 EDBDMO CCN1CCN([C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000106799190 204211535 /nfs/dbraw/zinc/21/15/35/204211535.db2.gz SIWVCGQLJXEODZ-KRWDZBQOSA-N 1 1 346.431 1.376 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000129210216 205185217 /nfs/dbraw/zinc/18/52/17/205185217.db2.gz MUCNRQSQZFJQJK-JTQLQIEISA-N 1 1 347.462 1.838 20 5 EDBDMO Cc1nccn1CCC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000130923757 205266217 /nfs/dbraw/zinc/26/62/17/205266217.db2.gz FJKHGHCPNORBMY-UHFFFAOYSA-N 1 1 331.376 1.721 20 5 EDBDMO Cc1cccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000131589705 205295295 /nfs/dbraw/zinc/29/52/95/205295295.db2.gz FOCYJMFOOBDQEX-CQSZACIVSA-N 1 1 335.404 1.870 20 5 EDBDMO Cc1nn(CCC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000247563785 139152414 /nfs/dbraw/zinc/15/24/14/139152414.db2.gz ZUAURBXINQXZSC-SMDDNHRTSA-N 1 1 337.424 1.739 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000249808737 139199034 /nfs/dbraw/zinc/19/90/34/139199034.db2.gz XOKXOJDTWADESZ-STQMWFEESA-N 1 1 348.403 1.171 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000250399955 139201024 /nfs/dbraw/zinc/20/10/24/139201024.db2.gz XQVPCRHPXTWHHH-WCQYABFASA-N 1 1 335.360 1.196 20 5 EDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000262013829 139244038 /nfs/dbraw/zinc/24/40/38/139244038.db2.gz QZRFDXANWWEZNA-MRXNPFEDSA-N 1 1 342.355 1.542 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000174791283 207059717 /nfs/dbraw/zinc/05/97/17/207059717.db2.gz QOQDYIYCCBTUJT-CYBMUJFWSA-N 1 1 336.779 1.864 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000174791283 207059722 /nfs/dbraw/zinc/05/97/22/207059722.db2.gz QOQDYIYCCBTUJT-CYBMUJFWSA-N 1 1 336.779 1.864 20 5 EDBDMO C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@@H]1C ZINC000490339887 255085289 /nfs/dbraw/zinc/08/52/89/255085289.db2.gz DAPHAFAFBILGSN-STQMWFEESA-N 1 1 338.412 1.353 20 5 EDBDMO O=C1OCCN1C[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000495978733 255336464 /nfs/dbraw/zinc/33/64/64/255336464.db2.gz DAMCCFRDVXJNOT-LBPRGKRZSA-N 1 1 345.359 1.676 20 5 EDBDMO O=C1OCCN1C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000495978733 255336465 /nfs/dbraw/zinc/33/64/65/255336465.db2.gz DAMCCFRDVXJNOT-LBPRGKRZSA-N 1 1 345.359 1.676 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270351201 140084092 /nfs/dbraw/zinc/08/40/92/140084092.db2.gz OMSKLBCNZCLFOB-BLLLJJGKSA-N 1 1 332.404 1.919 20 5 EDBDMO CS[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000270406099 140094241 /nfs/dbraw/zinc/09/42/41/140094241.db2.gz ADJUAMPZKMRWQO-OLZOCXBDSA-N 1 1 349.416 1.589 20 5 EDBDMO COc1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1[N+](=O)[O-] ZINC000270964004 140209379 /nfs/dbraw/zinc/20/93/79/140209379.db2.gz VJAPIVMFGBMSGH-UHFFFAOYSA-N 1 1 348.359 1.120 20 5 EDBDMO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271619509 140321509 /nfs/dbraw/zinc/32/15/09/140321509.db2.gz MJCDVUZLTASEIT-CHWSQXEVSA-N 1 1 348.403 1.325 20 5 EDBDMO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000271800541 140352208 /nfs/dbraw/zinc/35/22/08/140352208.db2.gz WLQHAXYVCZOQSO-SNVBAGLBSA-N 1 1 333.797 1.621 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000271800541 140352209 /nfs/dbraw/zinc/35/22/09/140352209.db2.gz WLQHAXYVCZOQSO-SNVBAGLBSA-N 1 1 333.797 1.621 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000331586709 141052496 /nfs/dbraw/zinc/05/24/96/141052496.db2.gz XFRBLNQDWAQRCE-YPMHNXCESA-N 1 1 339.417 1.664 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000331586709 141052497 /nfs/dbraw/zinc/05/24/97/141052497.db2.gz XFRBLNQDWAQRCE-YPMHNXCESA-N 1 1 339.417 1.664 20 5 EDBDMO O=C(N1CCCC1)[C@]1(O)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000331655455 141062929 /nfs/dbraw/zinc/06/29/29/141062929.db2.gz LONAMLXIJZKVFR-SFHVURJKSA-N 1 1 347.415 1.587 20 5 EDBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000332057090 141116189 /nfs/dbraw/zinc/11/61/89/141116189.db2.gz PATKBMNFKKUTBQ-GJZGRUSLSA-N 1 1 339.417 1.641 20 5 EDBDMO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000332403329 141176247 /nfs/dbraw/zinc/17/62/47/141176247.db2.gz VLWBSEWFFXEBHL-RHSMWYFYSA-N 1 1 348.447 1.758 20 5 EDBDMO CNS(=O)(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000339495780 142060040 /nfs/dbraw/zinc/06/00/40/142060040.db2.gz XWNBYRZDOZGIIN-UHFFFAOYSA-N 1 1 343.405 1.117 20 5 EDBDMO Cc1nn(C)c(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346174323 143175068 /nfs/dbraw/zinc/17/50/68/143175068.db2.gz YDVPZCLERFKSHE-DMDPSCGWSA-N 1 1 335.408 1.439 20 5 EDBDMO O=C(CC[N@H+]1CCN2C(=O)CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000346451157 143206156 /nfs/dbraw/zinc/20/61/56/143206156.db2.gz JJMYZVROBRYYSE-AWEZNQCLSA-N 1 1 332.360 1.230 20 5 EDBDMO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347895590 143376265 /nfs/dbraw/zinc/37/62/65/143376265.db2.gz OHRHHBIBQUTYHO-LBPRGKRZSA-N 1 1 329.360 1.780 20 5 EDBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347895590 143376266 /nfs/dbraw/zinc/37/62/66/143376266.db2.gz OHRHHBIBQUTYHO-LBPRGKRZSA-N 1 1 329.360 1.780 20 5 EDBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347895590 143376267 /nfs/dbraw/zinc/37/62/67/143376267.db2.gz OHRHHBIBQUTYHO-LBPRGKRZSA-N 1 1 329.360 1.780 20 5 EDBDMO Cc1nn(C)c(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000348028491 143393306 /nfs/dbraw/zinc/39/33/06/143393306.db2.gz VRSQDRKWFZWGDP-CYBMUJFWSA-N 1 1 335.408 1.441 20 5 EDBDMO C[C@H]1[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000352955048 149228359 /nfs/dbraw/zinc/22/83/59/149228359.db2.gz UKGGBFVPMMAGBM-WCQYABFASA-N 1 1 327.406 1.497 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000355317971 150214556 /nfs/dbraw/zinc/21/45/56/150214556.db2.gz KXXDDLHHPWRKGZ-HOTGVXAUSA-N 1 1 333.388 1.838 20 5 EDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000357939427 151203507 /nfs/dbraw/zinc/20/35/07/151203507.db2.gz ZUSNGNGCZZTTCU-FZMZJTMJSA-N 1 1 334.376 1.014 20 5 EDBDMO Cc1cc(NC[C@@](C)(O)C[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000360076926 151900497 /nfs/dbraw/zinc/90/04/97/151900497.db2.gz YKAYPKKRPHHCSL-OAHLLOKOSA-N 1 1 327.356 1.537 20 5 EDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000360722688 152169931 /nfs/dbraw/zinc/16/99/31/152169931.db2.gz UMVQDYRFLWNGMQ-YYIAUSFCSA-N 1 1 329.400 1.917 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000360722688 152169933 /nfs/dbraw/zinc/16/99/33/152169933.db2.gz UMVQDYRFLWNGMQ-YYIAUSFCSA-N 1 1 329.400 1.917 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000360722688 152169935 /nfs/dbraw/zinc/16/99/35/152169935.db2.gz UMVQDYRFLWNGMQ-YYIAUSFCSA-N 1 1 329.400 1.917 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000360891874 152244058 /nfs/dbraw/zinc/24/40/58/152244058.db2.gz RZQQLYFEOCVUSU-ZDUSSCGKSA-N 1 1 325.413 1.888 20 5 EDBDMO CC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C[C@H](C)O ZINC000361265924 152349131 /nfs/dbraw/zinc/34/91/31/152349131.db2.gz LOHGHZHZLPBNRC-QWHCGFSZSA-N 1 1 347.419 1.748 20 5 EDBDMO CC[N@@H+]1CCO[C@@H](CN2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)C1 ZINC000361315162 152360209 /nfs/dbraw/zinc/36/02/09/152360209.db2.gz LOMITLHDRNALJS-OAHLLOKOSA-N 1 1 349.435 1.141 20 5 EDBDMO CC[N@H+]1CCO[C@@H](CN2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)C1 ZINC000361315162 152360211 /nfs/dbraw/zinc/36/02/11/152360211.db2.gz LOMITLHDRNALJS-OAHLLOKOSA-N 1 1 349.435 1.141 20 5 EDBDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000361358349 152370681 /nfs/dbraw/zinc/37/06/81/152370681.db2.gz JZBLYWKSGKOXCU-OCVGTWLNSA-N 1 1 339.436 1.390 20 5 EDBDMO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000361358349 152370682 /nfs/dbraw/zinc/37/06/82/152370682.db2.gz JZBLYWKSGKOXCU-OCVGTWLNSA-N 1 1 339.436 1.390 20 5 EDBDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000361358349 152370685 /nfs/dbraw/zinc/37/06/85/152370685.db2.gz JZBLYWKSGKOXCU-OCVGTWLNSA-N 1 1 339.436 1.390 20 5 EDBDMO CCn1ccnc1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC12CC[NH2+]CC2 ZINC000370165276 155357637 /nfs/dbraw/zinc/35/76/37/155357637.db2.gz UYPFNTQGXJEIFC-MGPQQGTHSA-N 1 1 347.419 1.039 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CCCC[C@@]2(C)C(N)=O)c([N+](=O)[O-])c1 ZINC000185912603 286346396 /nfs/dbraw/zinc/34/63/96/286346396.db2.gz IKZCUSMNYKVTBD-INIZCTEOSA-N 1 1 337.376 1.712 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCCC[C@@]2(C)C(N)=O)c([N+](=O)[O-])c1 ZINC000185912603 286346397 /nfs/dbraw/zinc/34/63/97/286346397.db2.gz IKZCUSMNYKVTBD-INIZCTEOSA-N 1 1 337.376 1.712 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000363875490 153082738 /nfs/dbraw/zinc/08/27/38/153082738.db2.gz ZTDNLUSGJLPPFV-BPLDGKMQSA-N 1 1 348.403 1.609 20 5 EDBDMO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000364454871 153242843 /nfs/dbraw/zinc/24/28/43/153242843.db2.gz RQRQHFSMUDCBKG-IRXDYDNUSA-N 1 1 331.416 1.819 20 5 EDBDMO O=C([C@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000364454871 153242844 /nfs/dbraw/zinc/24/28/44/153242844.db2.gz RQRQHFSMUDCBKG-IRXDYDNUSA-N 1 1 331.416 1.819 20 5 EDBDMO O=C([C@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000364454871 153242847 /nfs/dbraw/zinc/24/28/47/153242847.db2.gz RQRQHFSMUDCBKG-IRXDYDNUSA-N 1 1 331.416 1.819 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000364675007 153300409 /nfs/dbraw/zinc/30/04/09/153300409.db2.gz RBMBJHVLGIORFP-QCEMKRCNSA-N 1 1 349.435 1.317 20 5 EDBDMO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)[C@H]2CC2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000364675007 153300411 /nfs/dbraw/zinc/30/04/11/153300411.db2.gz RBMBJHVLGIORFP-QCEMKRCNSA-N 1 1 349.435 1.317 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)[C@H]2CC2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000364675007 153300414 /nfs/dbraw/zinc/30/04/14/153300414.db2.gz RBMBJHVLGIORFP-QCEMKRCNSA-N 1 1 349.435 1.317 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](O)c3ccccc3C2)c1 ZINC000367932618 154330934 /nfs/dbraw/zinc/33/09/34/154330934.db2.gz QOWNWNJOVMRDTP-ZBFHGGJFSA-N 1 1 332.360 1.092 20 5 EDBDMO C[N@H+]1CC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000369572695 155094387 /nfs/dbraw/zinc/09/43/87/155094387.db2.gz BFUPYGFIMDZPPN-ABAIWWIYSA-N 1 1 349.416 1.662 20 5 EDBDMO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000377882964 158019752 /nfs/dbraw/zinc/01/97/52/158019752.db2.gz HKWREMYFQJNXFM-JTQLQIEISA-N 1 1 333.435 1.761 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000377882964 158019753 /nfs/dbraw/zinc/01/97/53/158019753.db2.gz HKWREMYFQJNXFM-JTQLQIEISA-N 1 1 333.435 1.761 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000378450307 158177999 /nfs/dbraw/zinc/17/79/99/158177999.db2.gz OWFHKSAMLDCPLI-SWLSCSKDSA-N 1 1 346.387 1.394 20 5 EDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)CN1CCOCC1 ZINC000124093400 287394269 /nfs/dbraw/zinc/39/42/69/287394269.db2.gz GDUHECBLVZTXQC-UHFFFAOYSA-N 1 1 325.413 1.082 20 5 EDBDMO O=C(NC1CC1)N[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000273899752 268091303 /nfs/dbraw/zinc/09/13/03/268091303.db2.gz BLGYPSXDQBESMM-UKRRQHHQSA-N 1 1 334.376 1.164 20 5 EDBDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000273899752 268091305 /nfs/dbraw/zinc/09/13/05/268091305.db2.gz BLGYPSXDQBESMM-UKRRQHHQSA-N 1 1 334.376 1.164 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000274614391 268168807 /nfs/dbraw/zinc/16/88/07/268168807.db2.gz XWBBOSGNJLBTOI-UHFFFAOYSA-N 1 1 335.360 1.339 20 5 EDBDMO CNC(=O)c1ccn([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000275353156 268328417 /nfs/dbraw/zinc/32/84/17/268328417.db2.gz AEEVOMPZZRBQNR-OAHLLOKOSA-N 1 1 343.387 1.988 20 5 EDBDMO C[C@@H]([NH2+]CC(=O)NCC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000273219720 273033121 /nfs/dbraw/zinc/03/31/21/273033121.db2.gz UWMNYLRYYULKFV-LLVKDONJSA-N 1 1 337.376 1.703 20 5 EDBDMO 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IDVLEPQRVKPXFN-LSDHHAIUSA-N 1 1 347.371 1.738 20 5 EDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000058299213 441175429 /nfs/dbraw/zinc/17/54/29/441175429.db2.gz FPVFJBFCZYSLJG-KBPBESRZSA-N 1 1 334.332 1.860 20 5 EDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000104747670 441203503 /nfs/dbraw/zinc/20/35/03/441203503.db2.gz WTAFVKLJUGXSGC-SNVBAGLBSA-N 1 1 347.824 1.820 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000080941587 441210053 /nfs/dbraw/zinc/21/00/53/441210053.db2.gz NJBNABGYWXVYNK-UHFFFAOYSA-N 1 1 335.408 1.577 20 5 EDBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000060470291 441244827 /nfs/dbraw/zinc/24/48/27/441244827.db2.gz OMFWFSLBSXHSQC-SNVBAGLBSA-N 1 1 335.360 1.579 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083445143 441360743 /nfs/dbraw/zinc/36/07/43/441360743.db2.gz AECNYYPTYWLCMH-LLVKDONJSA-N 1 1 344.375 1.920 20 5 EDBDMO 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CCO[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000156058677 442444495 /nfs/dbraw/zinc/44/44/95/442444495.db2.gz NOJWCLLKDMRIGC-OAHLLOKOSA-N 1 1 333.388 1.985 20 5 EDBDMO C[N@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000180189183 442556337 /nfs/dbraw/zinc/55/63/37/442556337.db2.gz SDIULMZODGFRPN-HOCLYGCPSA-N 1 1 329.360 1.353 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3n[nH]c(C4CC4)n3)C2)nc1 ZINC000180431693 442601293 /nfs/dbraw/zinc/60/12/93/442601293.db2.gz GQEQRBRUIZVQAS-LLVKDONJSA-N 1 1 329.364 1.672 20 5 EDBDMO COc1cc(C(=O)N(C)CC[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000186734131 442604175 /nfs/dbraw/zinc/60/41/75/442604175.db2.gz NJXQUQBYVDWGTG-UHFFFAOYSA-N 1 1 337.376 1.778 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]2C1 ZINC000192490006 442653440 /nfs/dbraw/zinc/65/34/40/442653440.db2.gz FSCPUWCUKZCYHM-AOOOYVTPSA-N 1 1 341.314 1.830 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000180833071 442664088 /nfs/dbraw/zinc/66/40/88/442664088.db2.gz KVUHRIKRCWQTTP-ZDUSSCGKSA-N 1 1 349.387 1.613 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000180833071 442664090 /nfs/dbraw/zinc/66/40/90/442664090.db2.gz KVUHRIKRCWQTTP-ZDUSSCGKSA-N 1 1 349.387 1.613 20 5 EDBDMO O=[N+]([O-])c1cc(Br)cnc1NCC[N@@H+]1CCCOCC1 ZINC000188489662 442756099 /nfs/dbraw/zinc/75/60/99/442756099.db2.gz FFTHZBISGDSRPD-UHFFFAOYSA-N 1 1 345.197 1.887 20 5 EDBDMO O=[N+]([O-])c1cc(Br)cnc1NCC[N@H+]1CCCOCC1 ZINC000188489662 442756101 /nfs/dbraw/zinc/75/61/01/442756101.db2.gz FFTHZBISGDSRPD-UHFFFAOYSA-N 1 1 345.197 1.887 20 5 EDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000182260810 442751297 /nfs/dbraw/zinc/75/12/97/442751297.db2.gz OSVXZIYUXKKFEH-LBPRGKRZSA-N 1 1 337.376 1.064 20 5 EDBDMO COc1cccc2c1CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000193729802 442775203 /nfs/dbraw/zinc/77/52/03/442775203.db2.gz QZDVPVKMNUSKQN-UHFFFAOYSA-N 1 1 343.383 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COCCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000249407644 442972341 /nfs/dbraw/zinc/97/23/41/442972341.db2.gz USUGRNREKODUJE-SWLSCSKDSA-N 1 1 337.376 1.659 20 5 EDBDMO COCCC[N@H+](CCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000189869449 443021652 /nfs/dbraw/zinc/02/16/52/443021652.db2.gz BHVCGIOIJPYDKS-UHFFFAOYSA-N 1 1 336.348 1.476 20 5 EDBDMO COCCC[N@@H+](CCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000189869449 443021654 /nfs/dbraw/zinc/02/16/54/443021654.db2.gz BHVCGIOIJPYDKS-UHFFFAOYSA-N 1 1 336.348 1.476 20 5 EDBDMO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000189944065 443033714 /nfs/dbraw/zinc/03/37/14/443033714.db2.gz ODFNPKSBAUSWQL-CQSZACIVSA-N 1 1 337.420 1.751 20 5 EDBDMO COc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000266211244 443059133 /nfs/dbraw/zinc/05/91/33/443059133.db2.gz YBAWNNXIZHTDQB-LBPRGKRZSA-N 1 1 337.376 1.778 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000266341659 443102227 /nfs/dbraw/zinc/10/22/27/443102227.db2.gz AJIZSWWTQGUITF-LBPRGKRZSA-N 1 1 339.367 1.913 20 5 EDBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255715969 443108646 /nfs/dbraw/zinc/10/86/46/443108646.db2.gz WIGRSDQWPVPDHT-TWGQIWQCSA-N 1 1 346.431 1.704 20 5 EDBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](O)CN1CCOCC1 ZINC000269043322 443181069 /nfs/dbraw/zinc/18/10/69/443181069.db2.gz KPRGTZZUNRWQPV-CYBMUJFWSA-N 1 1 343.811 1.373 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000313377127 318931197 /nfs/dbraw/zinc/93/11/97/318931197.db2.gz MVUIQNZTGZIVKZ-MRXNPFEDSA-N 1 1 347.396 1.930 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)Cc1ccc(F)cc1 ZINC000185686960 443239400 /nfs/dbraw/zinc/23/94/00/443239400.db2.gz CULWHOJTDYAIKX-UHFFFAOYSA-N 1 1 348.334 1.127 20 5 EDBDMO C[C@H]1CC[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000190884293 443203923 /nfs/dbraw/zinc/20/39/23/443203923.db2.gz VORUTODDJVCFFD-BBRMVZONSA-N 1 1 333.388 1.920 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000185555404 443218589 /nfs/dbraw/zinc/21/85/89/443218589.db2.gz BZBVJVJTRMZHMU-AWEZNQCLSA-N 1 1 349.435 1.420 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000411178688 319168693 /nfs/dbraw/zinc/16/86/93/319168693.db2.gz MWQBQFJZGKGNOA-CYBMUJFWSA-N 1 1 348.403 1.751 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000411354603 319177874 /nfs/dbraw/zinc/17/78/74/319177874.db2.gz JIMSIXHAHABWRX-OLZOCXBDSA-N 1 1 348.403 1.749 20 5 EDBDMO CCc1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1[N+](=O)[O-] ZINC000185780041 443256245 /nfs/dbraw/zinc/25/62/45/443256245.db2.gz GWJFLFCPUZHJFU-NEPJUHHUSA-N 1 1 335.408 1.968 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC000185780041 443256246 /nfs/dbraw/zinc/25/62/46/443256246.db2.gz GWJFLFCPUZHJFU-NEPJUHHUSA-N 1 1 335.408 1.968 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1[N+](=O)[O-] ZINC000185780041 443256250 /nfs/dbraw/zinc/25/62/50/443256250.db2.gz GWJFLFCPUZHJFU-NEPJUHHUSA-N 1 1 335.408 1.968 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185804283 443260596 /nfs/dbraw/zinc/26/05/96/443260596.db2.gz WQMSGAKFHKUOBF-GFCCVEGCSA-N 1 1 327.406 1.557 20 5 EDBDMO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000191197821 443258320 /nfs/dbraw/zinc/25/83/20/443258320.db2.gz DEIXSPKVABOGLF-SYAUCNOPSA-N 1 1 334.372 1.902 20 5 EDBDMO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000191197821 443258321 /nfs/dbraw/zinc/25/83/21/443258321.db2.gz DEIXSPKVABOGLF-SYAUCNOPSA-N 1 1 334.372 1.902 20 5 EDBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246057559 443264425 /nfs/dbraw/zinc/26/44/25/443264425.db2.gz AOVSGPXCUXVOLA-QWHCGFSZSA-N 1 1 330.410 1.079 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246057559 443264428 /nfs/dbraw/zinc/26/44/28/443264428.db2.gz AOVSGPXCUXVOLA-QWHCGFSZSA-N 1 1 330.410 1.079 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186039290 443301969 /nfs/dbraw/zinc/30/19/69/443301969.db2.gz WNERUPMBJGFNSL-CYBMUJFWSA-N 1 1 335.408 1.742 20 5 EDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1CCS(=O)(=O)CC1 ZINC000282363466 443316645 /nfs/dbraw/zinc/31/66/45/443316645.db2.gz DMMHYVGDSSFGIO-UHFFFAOYSA-N 1 1 326.418 1.894 20 5 EDBDMO O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000269481151 443320935 /nfs/dbraw/zinc/32/09/35/443320935.db2.gz BBRKEONMIVZIBT-AWEZNQCLSA-N 1 1 344.371 1.072 20 5 EDBDMO CC[N@H+](CCOCCO)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000282795040 443436281 /nfs/dbraw/zinc/43/62/81/443436281.db2.gz RLKIZIWUGDJFKG-UHFFFAOYSA-N 1 1 328.365 1.443 20 5 EDBDMO CC[N@@H+](CCOCCO)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000282795040 443436285 /nfs/dbraw/zinc/43/62/85/443436285.db2.gz RLKIZIWUGDJFKG-UHFFFAOYSA-N 1 1 328.365 1.443 20 5 EDBDMO CC(C)N1CC[NH+](C2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000270481504 443473279 /nfs/dbraw/zinc/47/32/79/443473279.db2.gz PLFQMPDQOODATI-UHFFFAOYSA-N 1 1 333.436 1.985 20 5 EDBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](C2CCC2)CC1 ZINC000265011370 443508176 /nfs/dbraw/zinc/50/81/76/443508176.db2.gz UUHMTOXCXNZKFE-UHFFFAOYSA-N 1 1 329.360 1.781 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)NCc2ccccc2[N+](=O)[O-])n1C ZINC000267634199 443521792 /nfs/dbraw/zinc/52/17/92/443521792.db2.gz RFFHXDZIULKEBR-UHFFFAOYSA-N 1 1 332.364 1.394 20 5 EDBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)C1 ZINC000265189981 443564016 /nfs/dbraw/zinc/56/40/16/443564016.db2.gz KNMVYRJIYPEHOO-OLZOCXBDSA-N 1 1 338.408 1.790 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272336399 443595654 /nfs/dbraw/zinc/59/56/54/443595654.db2.gz NPUTWDFIQXWANW-SKDRFNHKSA-N 1 1 333.344 1.536 20 5 EDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000441125299 320090283 /nfs/dbraw/zinc/09/02/83/320090283.db2.gz XHZZSESKAPITKR-NEPJUHHUSA-N 1 1 348.403 1.783 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000441125299 320090285 /nfs/dbraw/zinc/09/02/85/320090285.db2.gz XHZZSESKAPITKR-NEPJUHHUSA-N 1 1 348.403 1.783 20 5 EDBDMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000448791330 320160286 /nfs/dbraw/zinc/16/02/86/320160286.db2.gz FGHNXTDGXRFUPK-CYBMUJFWSA-N 1 1 331.372 1.911 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000452396692 320248951 /nfs/dbraw/zinc/24/89/51/320248951.db2.gz YIYXLFVEKFAVJA-GFCCVEGCSA-N 1 1 337.376 1.180 20 5 EDBDMO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000492698810 320382739 /nfs/dbraw/zinc/38/27/39/320382739.db2.gz CCCHWVKBRJXQLV-QIAWRQBBSA-N 1 1 347.415 1.912 20 5 EDBDMO Cn1ccnc1[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000280283659 443690936 /nfs/dbraw/zinc/69/09/36/443690936.db2.gz ZBYNSPGHRXKQIL-MRXNPFEDSA-N 1 1 345.403 1.696 20 5 EDBDMO Cn1ccnc1[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000280283659 443690940 /nfs/dbraw/zinc/69/09/40/443690940.db2.gz ZBYNSPGHRXKQIL-MRXNPFEDSA-N 1 1 345.403 1.696 20 5 EDBDMO Cn1ccnc1[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000280283655 443691124 /nfs/dbraw/zinc/69/11/24/443691124.db2.gz ZBYNSPGHRXKQIL-INIZCTEOSA-N 1 1 345.403 1.696 20 5 EDBDMO Cn1ccnc1[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000280283655 443691128 /nfs/dbraw/zinc/69/11/28/443691128.db2.gz ZBYNSPGHRXKQIL-INIZCTEOSA-N 1 1 345.403 1.696 20 5 EDBDMO COCC[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1C ZINC000281182260 443841372 /nfs/dbraw/zinc/84/13/72/443841372.db2.gz NQJSAPVASXSZKA-NSHDSACASA-N 1 1 347.375 1.401 20 5 EDBDMO COCC[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1C ZINC000281182260 443841374 /nfs/dbraw/zinc/84/13/74/443841374.db2.gz NQJSAPVASXSZKA-NSHDSACASA-N 1 1 347.375 1.401 20 5 EDBDMO CO[C@@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1OC ZINC000276849665 443851279 /nfs/dbraw/zinc/85/12/79/443851279.db2.gz ITAYHRJVSKDRDM-GASCZTMLSA-N 1 1 337.376 1.577 20 5 EDBDMO Cn1nccc1[C@H]1[C@H](CNc2ncc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000285100496 443855877 /nfs/dbraw/zinc/85/58/77/443855877.db2.gz ZDRRZZXDQWWANW-SMDDNHRTSA-N 1 1 331.380 1.613 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292877587 443867023 /nfs/dbraw/zinc/86/70/23/443867023.db2.gz DTVJVKVHYPPUEO-HNNXBMFYSA-N 1 1 347.375 1.524 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292877587 443867028 /nfs/dbraw/zinc/86/70/28/443867028.db2.gz DTVJVKVHYPPUEO-HNNXBMFYSA-N 1 1 347.375 1.524 20 5 EDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCc2sccc2C1 ZINC000299058240 443942011 /nfs/dbraw/zinc/94/20/11/443942011.db2.gz KLXUQKAOTUKRQU-UHFFFAOYSA-N 1 1 347.400 1.620 20 5 EDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCc2sccc2C1 ZINC000299058240 443942015 /nfs/dbraw/zinc/94/20/15/443942015.db2.gz KLXUQKAOTUKRQU-UHFFFAOYSA-N 1 1 347.400 1.620 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293185436 443946035 /nfs/dbraw/zinc/94/60/35/443946035.db2.gz DFJNMFWDIGYSFX-KRWDZBQOSA-N 1 1 332.404 1.875 20 5 EDBDMO CCCC[N@@H+](C)C[C@H](C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000288779243 443980905 /nfs/dbraw/zinc/98/09/05/443980905.db2.gz DJDARPKYMQWGEI-NSHDSACASA-N 1 1 344.437 1.775 20 5 EDBDMO CC(C)NC(=O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293327614 443984301 /nfs/dbraw/zinc/98/43/01/443984301.db2.gz XWAPLMQTYLDXFO-UHFFFAOYSA-N 1 1 348.403 1.267 20 5 EDBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293478357 444028929 /nfs/dbraw/zinc/02/89/29/444028929.db2.gz VKSUEJUYEBCCFZ-QGZVFWFLSA-N 1 1 346.387 1.478 20 5 EDBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000289426459 444140386 /nfs/dbraw/zinc/14/03/86/444140386.db2.gz CQOCOYFJSKMSHZ-GFCCVEGCSA-N 1 1 329.422 1.994 20 5 EDBDMO C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302368156 444212508 /nfs/dbraw/zinc/21/25/08/444212508.db2.gz DTGQODZZPJSXDU-VIFPVBQESA-N 1 1 345.197 1.255 20 5 EDBDMO C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302368156 444212509 /nfs/dbraw/zinc/21/25/09/444212509.db2.gz DTGQODZZPJSXDU-VIFPVBQESA-N 1 1 345.197 1.255 20 5 EDBDMO CC[N@H+]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000289567036 444173506 /nfs/dbraw/zinc/17/35/06/444173506.db2.gz TXTBEJCWRCVOJP-UHFFFAOYSA-N 1 1 330.392 1.922 20 5 EDBDMO CCOC(=O)c1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301640611 444183210 /nfs/dbraw/zinc/18/32/10/444183210.db2.gz GKFBQDGSGDSSPX-GJZGRUSLSA-N 1 1 335.360 1.291 20 5 EDBDMO CC(C)[N@@H+]1CC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301897055 444195767 /nfs/dbraw/zinc/19/57/67/444195767.db2.gz QVHUZLSYDQQDPB-NSHDSACASA-N 1 1 327.406 1.893 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301897055 444195769 /nfs/dbraw/zinc/19/57/69/444195769.db2.gz QVHUZLSYDQQDPB-NSHDSACASA-N 1 1 327.406 1.893 20 5 EDBDMO Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302040370 444201941 /nfs/dbraw/zinc/20/19/41/444201941.db2.gz WEFNGADLJYNRIP-JKSUJKDBSA-N 1 1 328.372 1.971 20 5 EDBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[N@H+]1C1CC1 ZINC000290732568 444316535 /nfs/dbraw/zinc/31/65/35/444316535.db2.gz GBZKWTYCWJNZAR-VHSXEESVSA-N 1 1 340.405 1.279 20 5 EDBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1 ZINC000305721736 444275537 /nfs/dbraw/zinc/27/55/37/444275537.db2.gz IMKLKHHMYULLIG-NUEKZKHPSA-N 1 1 333.388 1.619 20 5 EDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290623094 444302927 /nfs/dbraw/zinc/30/29/27/444302927.db2.gz LQUUDTWBAUJMCM-TUAOUCFPSA-N 1 1 335.408 1.867 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000578435189 321773880 /nfs/dbraw/zinc/77/38/80/321773880.db2.gz XZOZCORHOCDIPC-CQSZACIVSA-N 1 1 344.375 1.058 20 5 EDBDMO CCCCOC[C@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298099485 444415760 /nfs/dbraw/zinc/41/57/60/444415760.db2.gz NKABVUWFJNIPGP-CQSZACIVSA-N 1 1 338.408 1.289 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2nccn2C(F)F)c1 ZINC000581543440 322189815 /nfs/dbraw/zinc/18/98/15/322189815.db2.gz GNLHNHBJJJCSGG-LLVKDONJSA-N 1 1 342.302 1.716 20 5 EDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1Cc1ccccc1 ZINC000343706372 444533787 /nfs/dbraw/zinc/53/37/87/444533787.db2.gz JZCISIYCIBWATA-ZDUSSCGKSA-N 1 1 328.376 1.330 20 5 EDBDMO NC(=O)[C@@H]1CCO[C@@H]1C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000343772079 444580112 /nfs/dbraw/zinc/58/01/12/444580112.db2.gz IHGRIJHGDDFDSQ-TZMCWYRMSA-N 1 1 339.417 1.759 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC[C@@H]1CO ZINC000343774649 444581967 /nfs/dbraw/zinc/58/19/67/444581967.db2.gz VNMQRPODEQBSAY-ZDUSSCGKSA-N 1 1 339.417 1.642 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCSC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000343720880 444544493 /nfs/dbraw/zinc/54/44/93/444544493.db2.gz BNQCGMMHBBDROD-GFCCVEGCSA-N 1 1 339.417 1.642 20 5 EDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000341046529 444651485 /nfs/dbraw/zinc/65/14/85/444651485.db2.gz MIKKSNOUOMQQBR-ABAIWWIYSA-N 1 1 337.376 1.635 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000343975191 444704434 /nfs/dbraw/zinc/70/44/34/444704434.db2.gz RMQTYHVZRGTAJX-JSGCOSHPSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000343975191 444704439 /nfs/dbraw/zinc/70/44/39/444704439.db2.gz RMQTYHVZRGTAJX-JSGCOSHPSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1C ZINC000343975634 444705187 /nfs/dbraw/zinc/70/51/87/444705187.db2.gz IVNXAQOOGYYEPZ-STQMWFEESA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1C ZINC000343975634 444705190 /nfs/dbraw/zinc/70/51/90/444705190.db2.gz IVNXAQOOGYYEPZ-STQMWFEESA-N 1 1 341.433 1.973 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000344026565 444736858 /nfs/dbraw/zinc/73/68/58/444736858.db2.gz GZOCCNTUVHPFCJ-CMPLNLGQSA-N 1 1 343.405 1.364 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000344026565 444736863 /nfs/dbraw/zinc/73/68/63/444736863.db2.gz GZOCCNTUVHPFCJ-CMPLNLGQSA-N 1 1 343.405 1.364 20 5 EDBDMO O=[N+]([O-])c1ccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000338799060 444856634 /nfs/dbraw/zinc/85/66/34/444856634.db2.gz DQJOLDDZVNTSOP-MRXNPFEDSA-N 1 1 328.372 1.821 20 5 EDBDMO COC(=O)c1cc(C)nc(NCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341544162 444885515 /nfs/dbraw/zinc/88/55/15/444885515.db2.gz GWUGGECTDYIZGY-LBPRGKRZSA-N 1 1 336.392 2.371 20 5 EDBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000338884491 444911830 /nfs/dbraw/zinc/91/18/30/444911830.db2.gz VOQBGMGXGUYQJJ-UHFFFAOYSA-N 1 1 332.364 1.066 20 5 EDBDMO COc1c(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000344508307 445021870 /nfs/dbraw/zinc/02/18/70/445021870.db2.gz GCWOKUPVRRDPRV-RYUDHWBXSA-N 1 1 337.376 1.395 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)C(=O)CCc2cccc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000344492277 445008267 /nfs/dbraw/zinc/00/82/67/445008267.db2.gz GAPODJSKWDVCMJ-JKSUJKDBSA-N 1 1 335.404 1.705 20 5 EDBDMO CO[C@H]1C[C@@H](c2nncn2C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000344561343 445060943 /nfs/dbraw/zinc/06/09/43/445060943.db2.gz CKKCHPYOZXBVJE-GJZGRUSLSA-N 1 1 331.376 1.728 20 5 EDBDMO CO[C@H]1C[C@@H](c2nncn2C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000344561343 445060949 /nfs/dbraw/zinc/06/09/49/445060949.db2.gz CKKCHPYOZXBVJE-GJZGRUSLSA-N 1 1 331.376 1.728 20 5 EDBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337553181 445134620 /nfs/dbraw/zinc/13/46/20/445134620.db2.gz RCNVOXVBSAEGJD-GDBMZVCRSA-N 1 1 347.419 1.933 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000343278790 445175557 /nfs/dbraw/zinc/17/55/57/445175557.db2.gz XQIHVLAXDVCEGJ-OAHLLOKOSA-N 1 1 343.387 1.895 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000342115317 445179343 /nfs/dbraw/zinc/17/93/43/445179343.db2.gz UEAKENAMPSGSCE-LBPRGKRZSA-N 1 1 346.387 1.503 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000346685085 445222907 /nfs/dbraw/zinc/22/29/07/445222907.db2.gz IJHKYSJFVSHXFL-BXUZGUMPSA-N 1 1 347.371 1.367 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000346685085 445222909 /nfs/dbraw/zinc/22/29/09/445222909.db2.gz IJHKYSJFVSHXFL-BXUZGUMPSA-N 1 1 347.371 1.367 20 5 EDBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000348640610 445342902 /nfs/dbraw/zinc/34/29/02/445342902.db2.gz HQRUAGYGYHHQAL-SAYIFAPPSA-N 1 1 344.371 1.624 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000352047562 445458596 /nfs/dbraw/zinc/45/85/96/445458596.db2.gz JQXZDADADMOLCJ-AWEZNQCLSA-N 1 1 335.404 1.709 20 5 EDBDMO Cc1c(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)cccc1[N+](=O)[O-] ZINC000362826647 445567937 /nfs/dbraw/zinc/56/79/37/445567937.db2.gz PIRGVEDBGTZYBT-HNNXBMFYSA-N 1 1 332.404 1.299 20 5 EDBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](C)C1 ZINC000360053858 445547481 /nfs/dbraw/zinc/54/74/81/445547481.db2.gz OFRLHADKTABJQN-OCCSQVGLSA-N 1 1 338.408 1.790 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000354223548 446019968 /nfs/dbraw/zinc/01/99/68/446019968.db2.gz LIKJUBLSGWKVKO-DOMZBBRYSA-N 1 1 334.420 1.998 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000354237822 446034083 /nfs/dbraw/zinc/03/40/83/446034083.db2.gz KVDFOIDEWLGXPG-YPMHNXCESA-N 1 1 348.403 1.695 20 5 EDBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000356780987 446012538 /nfs/dbraw/zinc/01/25/38/446012538.db2.gz DRXGRUDYPOCYLX-LBPRGKRZSA-N 1 1 346.391 1.634 20 5 EDBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000369288713 446051708 /nfs/dbraw/zinc/05/17/08/446051708.db2.gz TWAPMKMPICJWPJ-AWEZNQCLSA-N 1 1 327.406 1.151 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000354279258 446075814 /nfs/dbraw/zinc/07/58/14/446075814.db2.gz BLVDRRNFJFKGPF-GFCCVEGCSA-N 1 1 339.417 1.727 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000354279258 446075820 /nfs/dbraw/zinc/07/58/20/446075820.db2.gz BLVDRRNFJFKGPF-GFCCVEGCSA-N 1 1 339.417 1.727 20 5 EDBDMO NC(=O)C[N@@H+]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000365259196 446107238 /nfs/dbraw/zinc/10/72/38/446107238.db2.gz YSCWFSNUMGJRGC-UHFFFAOYSA-N 1 1 329.360 1.140 20 5 EDBDMO NC(=O)C[N@H+]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000365259196 446107244 /nfs/dbraw/zinc/10/72/44/446107244.db2.gz YSCWFSNUMGJRGC-UHFFFAOYSA-N 1 1 329.360 1.140 20 5 EDBDMO O=C1O[C@@H](C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC12CCC2 ZINC000365272036 446116640 /nfs/dbraw/zinc/11/66/40/446116640.db2.gz WVFCLJQLSPICCV-TZMCWYRMSA-N 1 1 334.376 1.914 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359290135 446125239 /nfs/dbraw/zinc/12/52/39/446125239.db2.gz QVTPOWOTDJYVCD-TXEJJXNPSA-N 1 1 334.376 1.083 20 5 EDBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000373316725 446161625 /nfs/dbraw/zinc/16/16/25/446161625.db2.gz JLVMCGVULNALRY-GFCCVEGCSA-N 1 1 333.392 1.892 20 5 EDBDMO Cc1ccc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000365334267 446153458 /nfs/dbraw/zinc/15/34/58/446153458.db2.gz ILIHXVKUVKNKAK-MRXNPFEDSA-N 1 1 346.431 1.755 20 5 EDBDMO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000373623728 446283944 /nfs/dbraw/zinc/28/39/44/446283944.db2.gz GUEULPUYQKDBGZ-BBRMVZONSA-N 1 1 329.360 1.815 20 5 EDBDMO Cc1c(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000362288566 446307239 /nfs/dbraw/zinc/30/72/39/446307239.db2.gz PZZCFMMRUAQJJK-XHDPSFHLSA-N 1 1 348.359 1.978 20 5 EDBDMO Cc1nc(N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370530279 446319746 /nfs/dbraw/zinc/31/97/46/446319746.db2.gz CDLNXXXOXGMAAN-HNNXBMFYSA-N 1 1 333.436 1.903 20 5 EDBDMO Cc1nc(N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370530279 446319752 /nfs/dbraw/zinc/31/97/52/446319752.db2.gz CDLNXXXOXGMAAN-HNNXBMFYSA-N 1 1 333.436 1.903 20 5 EDBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000359631011 446327565 /nfs/dbraw/zinc/32/75/65/446327565.db2.gz FYSWKRQCCZGANF-HNNXBMFYSA-N 1 1 335.360 1.037 20 5 EDBDMO CC[N@H+]1CCO[C@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000359631011 446327567 /nfs/dbraw/zinc/32/75/67/446327567.db2.gz FYSWKRQCCZGANF-HNNXBMFYSA-N 1 1 335.360 1.037 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000411256644 446449535 /nfs/dbraw/zinc/44/95/35/446449535.db2.gz SEYNQDMZZWWGSK-GFCCVEGCSA-N 1 1 332.360 1.195 20 5 EDBDMO CCOC(=O)c1ccnc(NC[C@@H]2CC[NH2+]CC2(F)F)c1[N+](=O)[O-] ZINC000420294399 446458231 /nfs/dbraw/zinc/45/82/31/446458231.db2.gz ZFPBYBVDBPTPJS-VIFPVBQESA-N 1 1 344.318 1.823 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000411311359 446485716 /nfs/dbraw/zinc/48/57/16/446485716.db2.gz MNHBDPMIWTYKCC-ZDUSSCGKSA-N 1 1 332.360 1.148 20 5 EDBDMO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2Cn2ccnn2)c([N+](=O)[O-])c1 ZINC000374989322 446497648 /nfs/dbraw/zinc/49/76/48/446497648.db2.gz PXWZVISTQIZLDJ-AWEZNQCLSA-N 1 1 344.375 1.340 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2Cn2ccnn2)c([N+](=O)[O-])c1 ZINC000374989322 446497658 /nfs/dbraw/zinc/49/76/58/446497658.db2.gz PXWZVISTQIZLDJ-AWEZNQCLSA-N 1 1 344.375 1.340 20 5 EDBDMO COc1cccc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000376921947 446799691 /nfs/dbraw/zinc/79/96/91/446799691.db2.gz GWGNZZYSBXNRLJ-AWEZNQCLSA-N 1 1 348.403 1.522 20 5 EDBDMO CN(C(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000412046592 446809613 /nfs/dbraw/zinc/80/96/13/446809613.db2.gz NUYBQEKLDZKNID-WOSRLPQWSA-N 1 1 333.388 1.650 20 5 EDBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000412067538 446829602 /nfs/dbraw/zinc/82/96/02/446829602.db2.gz DTXSBARSWLRTPT-QWHCGFSZSA-N 1 1 349.387 1.986 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@H+](C)C[C@@H]2C)c1F ZINC000412097226 446856237 /nfs/dbraw/zinc/85/62/37/446856237.db2.gz VALGTQBVASMHMR-JTQLQIEISA-N 1 1 325.340 1.448 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@@H+](C)C[C@@H]2C)c1F ZINC000412097226 446856240 /nfs/dbraw/zinc/85/62/40/446856240.db2.gz VALGTQBVASMHMR-JTQLQIEISA-N 1 1 325.340 1.448 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000368473813 446884266 /nfs/dbraw/zinc/88/42/66/446884266.db2.gz KFJVMZSVPKRFIW-INIZCTEOSA-N 1 1 335.360 1.389 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000368473813 446884270 /nfs/dbraw/zinc/88/42/70/446884270.db2.gz KFJVMZSVPKRFIW-INIZCTEOSA-N 1 1 335.360 1.389 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377063705 446896427 /nfs/dbraw/zinc/89/64/27/446896427.db2.gz YPUTZXXBBKLJTB-CQSZACIVSA-N 1 1 346.431 1.802 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377063705 446896435 /nfs/dbraw/zinc/89/64/35/446896435.db2.gz YPUTZXXBBKLJTB-CQSZACIVSA-N 1 1 346.431 1.802 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000375904902 447135914 /nfs/dbraw/zinc/13/59/14/447135914.db2.gz LPPZXCTWIOTIJW-KRWDZBQOSA-N 1 1 346.387 1.444 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000375904903 447136692 /nfs/dbraw/zinc/13/66/92/447136692.db2.gz LPPZXCTWIOTIJW-QGZVFWFLSA-N 1 1 346.387 1.444 20 5 EDBDMO COc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000377480321 447151741 /nfs/dbraw/zinc/15/17/41/447151741.db2.gz CHNPVBWUQNAXOS-QWHCGFSZSA-N 1 1 335.360 1.196 20 5 EDBDMO O=C(CC[N@H+]1CCC[C@@H](n2ccnn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000425500646 447195603 /nfs/dbraw/zinc/19/56/03/447195603.db2.gz DGRVIHPPAHLYKF-CYBMUJFWSA-N 1 1 344.375 1.852 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C[C@H]1C ZINC000455742159 447219670 /nfs/dbraw/zinc/21/96/70/447219670.db2.gz YHPSMGMBZBLSMB-NEPJUHHUSA-N 1 1 335.408 1.976 20 5 EDBDMO C[C@H](CO)[N@H+]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372754545 447270692 /nfs/dbraw/zinc/27/06/92/447270692.db2.gz ZFGNLOGKMLMIMA-OAHLLOKOSA-N 1 1 337.420 1.752 20 5 EDBDMO C[C@H](CO)N1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372754545 447270700 /nfs/dbraw/zinc/27/07/00/447270700.db2.gz ZFGNLOGKMLMIMA-OAHLLOKOSA-N 1 1 337.420 1.752 20 5 EDBDMO C[C@H](CO)N1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372754545 447270705 /nfs/dbraw/zinc/27/07/05/447270705.db2.gz ZFGNLOGKMLMIMA-OAHLLOKOSA-N 1 1 337.420 1.752 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000421901485 447272655 /nfs/dbraw/zinc/27/26/55/447272655.db2.gz RYNMNMAVZLHQKF-UONOGXRCSA-N 1 1 335.404 1.739 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000421901485 447272659 /nfs/dbraw/zinc/27/26/59/447272659.db2.gz RYNMNMAVZLHQKF-UONOGXRCSA-N 1 1 335.404 1.739 20 5 EDBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H]1CCOC1 ZINC000494943234 447466392 /nfs/dbraw/zinc/46/63/92/447466392.db2.gz VCHUJZZYFMFSBC-GFCCVEGCSA-N 1 1 335.360 1.861 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2CCCO)c1 ZINC000450597533 447535134 /nfs/dbraw/zinc/53/51/34/447535134.db2.gz PBMGXWDSCBSQNH-CYBMUJFWSA-N 1 1 337.376 1.640 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000427637265 447626822 /nfs/dbraw/zinc/62/68/22/447626822.db2.gz FXQRAWXEPRSFHA-ZDUSSCGKSA-N 1 1 335.408 1.615 20 5 EDBDMO Cc1cc(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(F)cc1[N+](=O)[O-] ZINC000420239637 447682546 /nfs/dbraw/zinc/68/25/46/447682546.db2.gz MJROVZZLLWKCFN-GFCCVEGCSA-N 1 1 336.367 1.443 20 5 EDBDMO [NH3+]C[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423042442 447795914 /nfs/dbraw/zinc/79/59/14/447795914.db2.gz ZEPNGVYAMJRKPA-SWLSCSKDSA-N 1 1 341.433 1.476 20 5 EDBDMO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000525055347 447965559 /nfs/dbraw/zinc/96/55/59/447965559.db2.gz PZLSIPKGQFOWSD-LLVKDONJSA-N 1 1 337.376 1.684 20 5 EDBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+]1C ZINC000525032174 447966081 /nfs/dbraw/zinc/96/60/81/447966081.db2.gz VMQAOCVRUCMCJU-QWRGUYRKSA-N 1 1 335.360 1.878 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 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ZINC000940108772 700221138 /nfs/dbraw/zinc/22/11/38/700221138.db2.gz JYGONTMLHKGJOW-CHWSQXEVSA-N 1 1 338.433 1.587 20 5 EDBDMO CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940107333 700218773 /nfs/dbraw/zinc/21/87/73/700218773.db2.gz IUPVIMCRWZUMLN-TZMCWYRMSA-N 1 1 336.392 1.373 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001031908210 700876780 /nfs/dbraw/zinc/87/67/80/700876780.db2.gz SQARFCFLKCHUDY-ZSHCYNCHSA-N 1 1 331.372 1.035 20 5 EDBDMO CN1CC[NH+](CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000071819014 702918882 /nfs/dbraw/zinc/91/88/82/702918882.db2.gz JYOCPRRWGDHUOJ-UHFFFAOYSA-N 1 1 340.811 1.616 20 5 EDBDMO Cc1nn[nH]c1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996869228 703141463 /nfs/dbraw/zinc/14/14/63/703141463.db2.gz CGJULYSANYACHL-UHFFFAOYSA-N 1 1 344.375 1.416 20 5 EDBDMO CC(C)n1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997775653 704677141 /nfs/dbraw/zinc/67/71/41/704677141.db2.gz 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O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000131289530 138356522 /nfs/dbraw/zinc/35/65/22/138356522.db2.gz DBHPVSJDRZROAW-UHFFFAOYSA-N 1 1 342.399 1.969 20 5 EDBDMO Cc1cc(Sc2nnnn2C[C@@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000131935030 138368321 /nfs/dbraw/zinc/36/83/21/138368321.db2.gz XIJDMCWXJCAMPX-SNVBAGLBSA-N 1 1 335.393 1.388 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000132309520 138374865 /nfs/dbraw/zinc/37/48/65/138374865.db2.gz QTSMTVOSJCLYQI-CYBMUJFWSA-N 1 1 336.392 1.137 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000186982072 236086520 /nfs/dbraw/zinc/08/65/20/236086520.db2.gz VFLPJGPXMITJOD-LLVKDONJSA-N 1 1 336.392 1.094 20 5 EDBDMO NC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000362000358 283288987 /nfs/dbraw/zinc/28/89/87/283288987.db2.gz ZNZBDMMJVYKXOG-UHFFFAOYSA-N 1 1 344.318 1.194 20 5 EDBDMO NC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000362000358 283288988 /nfs/dbraw/zinc/28/89/88/283288988.db2.gz ZNZBDMMJVYKXOG-UHFFFAOYSA-N 1 1 344.318 1.194 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245585355 139080211 /nfs/dbraw/zinc/08/02/11/139080211.db2.gz LWIAVHIHKHOTNT-WMLDXEAASA-N 1 1 346.431 1.705 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245585355 139080212 /nfs/dbraw/zinc/08/02/12/139080212.db2.gz LWIAVHIHKHOTNT-WMLDXEAASA-N 1 1 346.431 1.705 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000245585355 139080215 /nfs/dbraw/zinc/08/02/15/139080215.db2.gz LWIAVHIHKHOTNT-WMLDXEAASA-N 1 1 346.431 1.705 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000245585355 139080216 /nfs/dbraw/zinc/08/02/16/139080216.db2.gz LWIAVHIHKHOTNT-WMLDXEAASA-N 1 1 346.431 1.705 20 5 EDBDMO CNC(=O)CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000155305383 206001641 /nfs/dbraw/zinc/00/16/41/206001641.db2.gz DPMLRDAPFYULHM-UHFFFAOYSA-N 1 1 342.783 1.645 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](CC)C1CC1 ZINC000102932928 206390382 /nfs/dbraw/zinc/39/03/82/206390382.db2.gz BBRBYJQQXUYQEQ-UHFFFAOYSA-N 1 1 341.433 1.920 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367392182 284617687 /nfs/dbraw/zinc/61/76/87/284617687.db2.gz MVGGPQMDJHNYQT-JTQLQIEISA-N 1 1 330.247 1.182 20 5 EDBDMO CN(CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000248202173 139159479 /nfs/dbraw/zinc/15/94/79/139159479.db2.gz ZATCUUUXSMFCBW-HUUCEWRRSA-N 1 1 346.431 1.974 20 5 EDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249290169 139190536 /nfs/dbraw/zinc/19/05/36/139190536.db2.gz KFTBTQRNMRHENO-WQAKAFBOSA-N 1 1 334.332 1.133 20 5 EDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249290169 139190537 /nfs/dbraw/zinc/19/05/37/139190537.db2.gz KFTBTQRNMRHENO-WQAKAFBOSA-N 1 1 334.332 1.133 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261903763 139235585 /nfs/dbraw/zinc/23/55/85/139235585.db2.gz GTFPEVOSQZYWNQ-CQSZACIVSA-N 1 1 333.323 1.104 20 5 EDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261949256 139239343 /nfs/dbraw/zinc/23/93/43/139239343.db2.gz LKWLGIZMEZCERN-INIZCTEOSA-N 1 1 341.371 1.575 20 5 EDBDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262127569 139253172 /nfs/dbraw/zinc/25/31/72/139253172.db2.gz GDZWUNJSTLHXGG-WBMJQRKESA-N 1 1 349.387 1.342 20 5 EDBDMO COC(=O)c1ccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174724483 207050851 /nfs/dbraw/zinc/05/08/51/207050851.db2.gz MSRNTWLFBCIALJ-HNNXBMFYSA-N 1 1 348.359 1.071 20 5 EDBDMO COc1cc[nH+]c(N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000174847771 207064986 /nfs/dbraw/zinc/06/49/86/207064986.db2.gz UMTGOHNDXBBDHF-UHFFFAOYSA-N 1 1 332.364 1.017 20 5 EDBDMO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(c2ccccc2)C1=O ZINC000174856789 207065162 /nfs/dbraw/zinc/06/51/62/207065162.db2.gz GUPOWRHNADGJTE-INIZCTEOSA-N 1 1 343.387 1.919 20 5 EDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(c2ccccc2)C1=O ZINC000174856789 207065167 /nfs/dbraw/zinc/06/51/67/207065167.db2.gz GUPOWRHNADGJTE-INIZCTEOSA-N 1 1 343.387 1.919 20 5 EDBDMO C[NH+]1CCN(CCCCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000490578441 255093361 /nfs/dbraw/zinc/09/33/61/255093361.db2.gz XSUJVRZIADZULX-FPLPWBNLSA-N 1 1 346.431 1.752 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000492290597 255168085 /nfs/dbraw/zinc/16/80/85/255168085.db2.gz UWEUTRCUBRWBGK-FPLPWBNLSA-N 1 1 347.415 1.913 20 5 EDBDMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000493487607 255211563 /nfs/dbraw/zinc/21/15/63/255211563.db2.gz FIAVHCAEHORZFA-PLNGDYQASA-N 1 1 327.344 1.680 20 5 EDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCn1cccn1 ZINC000117341111 221055576 /nfs/dbraw/zinc/05/55/76/221055576.db2.gz RYIGZTJMYBCGTP-UHFFFAOYSA-N 1 1 345.359 1.721 20 5 EDBDMO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000264055973 139378196 /nfs/dbraw/zinc/37/81/96/139378196.db2.gz JKDZJUKQYTUBQA-AWEZNQCLSA-N 1 1 329.360 1.764 20 5 EDBDMO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000264055973 139378197 /nfs/dbraw/zinc/37/81/97/139378197.db2.gz JKDZJUKQYTUBQA-AWEZNQCLSA-N 1 1 329.360 1.764 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000270393125 140091363 /nfs/dbraw/zinc/09/13/63/140091363.db2.gz SVLSQLZSLZKXHD-UHFFFAOYSA-N 1 1 335.404 1.443 20 5 EDBDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1O ZINC000270922653 140199523 /nfs/dbraw/zinc/19/95/23/140199523.db2.gz PDWMCSUMUCMUPS-GYSYKLTISA-N 1 1 337.376 1.633 20 5 EDBDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1O ZINC000270922653 140199524 /nfs/dbraw/zinc/19/95/24/140199524.db2.gz PDWMCSUMUCMUPS-GYSYKLTISA-N 1 1 337.376 1.633 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCN(CC(F)F)CC2)c1 ZINC000270958987 140208204 /nfs/dbraw/zinc/20/82/04/140208204.db2.gz NHYUDIRYBJCLMX-AWEZNQCLSA-N 1 1 329.347 1.901 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCN(CC(F)F)CC2)c1 ZINC000270958987 140208206 /nfs/dbraw/zinc/20/82/06/140208206.db2.gz NHYUDIRYBJCLMX-AWEZNQCLSA-N 1 1 329.347 1.901 20 5 EDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1O ZINC000270971694 140210629 /nfs/dbraw/zinc/21/06/29/140210629.db2.gz WGQRSNCNYUKGHV-RISCZKNCSA-N 1 1 337.376 1.635 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000271950792 140378318 /nfs/dbraw/zinc/37/83/18/140378318.db2.gz AXRMXXBYOJMBNP-DLBZAZTESA-N 1 1 346.387 1.096 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000271950792 140378319 /nfs/dbraw/zinc/37/83/19/140378319.db2.gz AXRMXXBYOJMBNP-DLBZAZTESA-N 1 1 346.387 1.096 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)s1 ZINC000332176909 141135636 /nfs/dbraw/zinc/13/56/36/141135636.db2.gz UQMKXOAYEDPMFX-NSHDSACASA-N 1 1 345.446 1.905 20 5 EDBDMO CCOC(=O)C(C)(C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339786145 142155757 /nfs/dbraw/zinc/15/57/57/142155757.db2.gz DSPFBJDNPZECGI-CYBMUJFWSA-N 1 1 340.376 1.608 20 5 EDBDMO CCOC(=O)C(C)(C)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339786145 142155758 /nfs/dbraw/zinc/15/57/58/142155758.db2.gz DSPFBJDNPZECGI-CYBMUJFWSA-N 1 1 340.376 1.608 20 5 EDBDMO O=C(N1CCCC1)[C@@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000344793509 143012552 /nfs/dbraw/zinc/01/25/52/143012552.db2.gz WFMMBROVYOCSDB-QGZVFWFLSA-N 1 1 333.388 1.544 20 5 EDBDMO CO[C@H]1C[C@H](CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)[N@@H+](C)C1 ZINC000345144377 143056888 /nfs/dbraw/zinc/05/68/88/143056888.db2.gz ZDNVGKIVLFQANK-OLZOCXBDSA-N 1 1 334.376 1.887 20 5 EDBDMO COc1c(C(=O)NCCC[N@@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000345406728 143087502 /nfs/dbraw/zinc/08/75/02/143087502.db2.gz LIUZSLGVCCKWKL-UHFFFAOYSA-N 1 1 338.408 1.217 20 5 EDBDMO COc1c(C(=O)NCCCN(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000345406728 143087503 /nfs/dbraw/zinc/08/75/03/143087503.db2.gz LIUZSLGVCCKWKL-UHFFFAOYSA-N 1 1 338.408 1.217 20 5 EDBDMO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC000346679334 143230761 /nfs/dbraw/zinc/23/07/61/143230761.db2.gz ZGTLNVCIJABHNK-WCBMZHEXSA-N 1 1 340.767 1.240 20 5 EDBDMO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC000346679334 143230762 /nfs/dbraw/zinc/23/07/62/143230762.db2.gz ZGTLNVCIJABHNK-WCBMZHEXSA-N 1 1 340.767 1.240 20 5 EDBDMO Cn1cc([C@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]2C(N)=O)cn1 ZINC000346860519 143252632 /nfs/dbraw/zinc/25/26/32/143252632.db2.gz AANWATGVDWZUGW-NEPJUHHUSA-N 1 1 347.350 1.168 20 5 EDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000352680877 149115013 /nfs/dbraw/zinc/11/50/13/149115013.db2.gz KMVWSBHWVHLFKB-FBGPFPDVSA-N 1 1 348.399 1.690 20 5 EDBDMO Cc1cc(C2=CC[N@H+]([C@H]3CCN(C)C3=O)CC2)cc([N+](=O)[O-])c1N ZINC000369905914 155226185 /nfs/dbraw/zinc/22/61/85/155226185.db2.gz IYXNOXXLVRCTTA-AWEZNQCLSA-N 1 1 330.388 1.805 20 5 EDBDMO Cc1cc(C2=CC[N@@H+]([C@H]3CCN(C)C3=O)CC2)cc([N+](=O)[O-])c1N ZINC000369905914 155226188 /nfs/dbraw/zinc/22/61/88/155226188.db2.gz IYXNOXXLVRCTTA-AWEZNQCLSA-N 1 1 330.388 1.805 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355310046 150210837 /nfs/dbraw/zinc/21/08/37/150210837.db2.gz ZZVNUSYMSKULGR-HUUCEWRRSA-N 1 1 337.351 1.669 20 5 EDBDMO COC[C@H](C)[N@@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355595204 150329186 /nfs/dbraw/zinc/32/91/86/150329186.db2.gz GERLDACXLKCBQE-NSHDSACASA-N 1 1 326.349 1.613 20 5 EDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357965942 151214303 /nfs/dbraw/zinc/21/43/03/151214303.db2.gz UBOCGPXVXMCNGZ-FRRDWIJNSA-N 1 1 335.408 1.806 20 5 EDBDMO C[N@H+]1CC[C@@](O)(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000358128754 151281804 /nfs/dbraw/zinc/28/18/04/151281804.db2.gz COXIZBOBWIXQCI-MRXNPFEDSA-N 1 1 348.428 1.875 20 5 EDBDMO Cn1cc(CNC[C@]2(O)CC[N@@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358164745 151292175 /nfs/dbraw/zinc/29/21/75/151292175.db2.gz KBPYELMGJFYRBV-QGZVFWFLSA-N 1 1 345.403 1.152 20 5 EDBDMO Cn1cc(C[NH2+]C[C@]2(O)CCN(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358164745 151292177 /nfs/dbraw/zinc/29/21/77/151292177.db2.gz KBPYELMGJFYRBV-QGZVFWFLSA-N 1 1 345.403 1.152 20 5 EDBDMO O=C(CC[N@H+]1CCc2n[nH]c(=O)cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000360448101 152048769 /nfs/dbraw/zinc/04/87/69/152048769.db2.gz YUZNMLKRTMAOLQ-UHFFFAOYSA-N 1 1 343.343 1.477 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000370152933 155351342 /nfs/dbraw/zinc/35/13/42/155351342.db2.gz WNJCHHXTFIPLFP-UNEWFSDZSA-N 1 1 335.404 1.361 20 5 EDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 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ZINC000371804538 274000222 /nfs/dbraw/zinc/00/02/22/274000222.db2.gz YAVVDNYREFUGCU-ZDUSSCGKSA-N 1 1 335.360 1.211 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)CCc2cccc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000284541515 274238714 /nfs/dbraw/zinc/23/87/14/274238714.db2.gz GAPODJSKWDVCMJ-HOTGVXAUSA-N 1 1 335.404 1.705 20 5 EDBDMO CCOc1cc(CN2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000284818522 274345027 /nfs/dbraw/zinc/34/50/27/274345027.db2.gz LMTHXFDRFBSGBE-HOTGVXAUSA-N 1 1 335.404 1.898 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000284831992 274350274 /nfs/dbraw/zinc/35/02/74/274350274.db2.gz OZQFMTJXBPTODH-GVDBMIGSSA-N 1 1 336.388 1.835 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000284831992 274350275 /nfs/dbraw/zinc/35/02/75/274350275.db2.gz OZQFMTJXBPTODH-GVDBMIGSSA-N 1 1 336.388 1.835 20 5 EDBDMO C[N@H+]1CCO[C@H]2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C[C@@H]21 ZINC000284860625 274362691 /nfs/dbraw/zinc/36/26/91/274362691.db2.gz FIAJXSXHIAVQSR-RYUDHWBXSA-N 1 1 346.309 1.918 20 5 EDBDMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264759990 277102611 /nfs/dbraw/zinc/10/26/11/277102611.db2.gz NVICBSJLJIPXAC-CYBMUJFWSA-N 1 1 332.360 1.317 20 5 EDBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264759990 277102612 /nfs/dbraw/zinc/10/26/12/277102612.db2.gz NVICBSJLJIPXAC-CYBMUJFWSA-N 1 1 332.360 1.317 20 5 EDBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000286381868 287992834 /nfs/dbraw/zinc/99/28/34/287992834.db2.gz OJUDWKPWAAHHNO-YPMHNXCESA-N 1 1 331.376 1.771 20 5 EDBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286512394 288024044 /nfs/dbraw/zinc/02/40/44/288024044.db2.gz YZKMKJRUDDZCHE-GHMZBOCLSA-N 1 1 349.416 1.899 20 5 EDBDMO CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286831152 288099147 /nfs/dbraw/zinc/09/91/47/288099147.db2.gz UTJJSCIZWJCKRW-ZDUSSCGKSA-N 1 1 329.360 1.664 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCNc1cccc(C)[nH+]1 ZINC000359753286 279109579 /nfs/dbraw/zinc/10/95/79/279109579.db2.gz PLXHFKVHYCCWHF-UHFFFAOYSA-N 1 1 332.364 1.422 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)n1 ZINC000360874141 281012946 /nfs/dbraw/zinc/01/29/46/281012946.db2.gz UOALHZCFYBMDRK-UHFFFAOYSA-N 1 1 343.391 1.481 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000245526994 281021888 /nfs/dbraw/zinc/02/18/88/281021888.db2.gz PQRDEANXWWPLOO-NWDGAFQWSA-N 1 1 327.406 1.588 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000245526994 281021890 /nfs/dbraw/zinc/02/18/90/281021890.db2.gz PQRDEANXWWPLOO-NWDGAFQWSA-N 1 1 327.406 1.588 20 5 EDBDMO Cc1ccc(NC(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)cc1[N+](=O)[O-] ZINC000292482363 289359626 /nfs/dbraw/zinc/35/96/26/289359626.db2.gz BULQPDAJLXCARX-TZMCWYRMSA-N 1 1 336.392 1.822 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173248952 300216851 /nfs/dbraw/zinc/21/68/51/300216851.db2.gz MRGHULXGOCSPOJ-JQWIXIFHSA-N 1 1 345.396 1.695 20 5 EDBDMO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)cc([N+](=O)[O-])c1 ZINC000261786457 301101580 /nfs/dbraw/zinc/10/15/80/301101580.db2.gz TYCIUCRIZGQWCP-CQSZACIVSA-N 1 1 329.360 1.423 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)C1 ZINC000293934948 303040618 /nfs/dbraw/zinc/04/06/18/303040618.db2.gz QRZUGZCYUBWWPJ-HNNXBMFYSA-N 1 1 334.332 1.671 20 5 EDBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000294032150 303053882 /nfs/dbraw/zinc/05/38/82/303053882.db2.gz RNRZKNRZIGFDCJ-FRRDWIJNSA-N 1 1 348.403 1.264 20 5 EDBDMO CC(C)[N@@H+](C)CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000294704738 303137375 /nfs/dbraw/zinc/13/73/75/303137375.db2.gz XMKFTKXBDLLOKD-UHFFFAOYSA-N 1 1 348.403 1.219 20 5 EDBDMO COC(=O)[C@@H]([NH2+]CCCNc1ncc([N+](=O)[O-])c(C)n1)C(C)C ZINC000295027281 303164685 /nfs/dbraw/zinc/16/46/85/303164685.db2.gz VGSSQYXWKXOFIM-LBPRGKRZSA-N 1 1 325.369 1.282 20 5 EDBDMO CN(C)c1cc(F)c(C(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000295097504 303173129 /nfs/dbraw/zinc/17/31/29/303173129.db2.gz GAJMYFDTASQFLY-UHFFFAOYSA-N 1 1 336.367 1.792 20 5 EDBDMO CN(C)c1cc(F)c(C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000295097504 303173131 /nfs/dbraw/zinc/17/31/31/303173131.db2.gz GAJMYFDTASQFLY-UHFFFAOYSA-N 1 1 336.367 1.792 20 5 EDBDMO CCOc1cc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)ccc1[N+](=O)[O-] ZINC000295464610 303223619 /nfs/dbraw/zinc/22/36/19/303223619.db2.gz QIOPGUMUQLXKQO-PBHICJAKSA-N 1 1 335.404 1.898 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295509368 303228412 /nfs/dbraw/zinc/22/84/12/303228412.db2.gz LJQFZAPWQJPBRL-GFCCVEGCSA-N 1 1 341.795 1.777 20 5 EDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000420453526 304809787 /nfs/dbraw/zinc/80/97/87/304809787.db2.gz CMBSUTZIKBFCIC-CQSZACIVSA-N 1 1 348.384 1.325 20 5 EDBDMO CC[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428042552 305005285 /nfs/dbraw/zinc/00/52/85/305005285.db2.gz MCWMCVBHNMRSJM-UHFFFAOYSA-N 1 1 332.360 1.590 20 5 EDBDMO CCn1nccc1C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429715266 305035710 /nfs/dbraw/zinc/03/57/10/305035710.db2.gz HXIRKFCVOSRLBH-OAHLLOKOSA-N 1 1 334.376 1.683 20 5 EDBDMO CCn1nccc1C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429715266 305035711 /nfs/dbraw/zinc/03/57/11/305035711.db2.gz HXIRKFCVOSRLBH-OAHLLOKOSA-N 1 1 334.376 1.683 20 5 EDBDMO C[NH2+]C[C@@H]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430923952 305068554 /nfs/dbraw/zinc/06/85/54/305068554.db2.gz HBPIUDAJVXDYGJ-LBPRGKRZSA-N 1 1 336.392 1.473 20 5 EDBDMO Cc1cc(OCC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000432197255 305088842 /nfs/dbraw/zinc/08/88/42/305088842.db2.gz XGOITRYCJCSXTF-WFASDCNBSA-N 1 1 333.388 1.881 20 5 EDBDMO C[C@@](O)(CNc1ccnc2c1cccc2[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000432343020 305091800 /nfs/dbraw/zinc/09/18/00/305091800.db2.gz QFEJYVDGHZGHRS-QGZVFWFLSA-N 1 1 346.387 1.638 20 5 EDBDMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000440514920 305208825 /nfs/dbraw/zinc/20/88/25/305208825.db2.gz LYFSPOLGPLYSBS-QGZVFWFLSA-N 1 1 345.355 1.555 20 5 EDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000440859372 305213585 /nfs/dbraw/zinc/21/35/85/305213585.db2.gz NFVNDHHCSJUSMP-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000444348459 305246409 /nfs/dbraw/zinc/24/64/09/305246409.db2.gz BOKRQIOSQUTUBE-CYBMUJFWSA-N 1 1 335.404 1.820 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H](O)CN3CCOCC3)C2)cc1 ZINC000451550433 305352936 /nfs/dbraw/zinc/35/29/36/305352936.db2.gz RRBXEIPZEMGDOU-WMZOPIPTSA-N 1 1 349.431 1.467 20 5 EDBDMO O=C1CCC(=O)N1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552205 305353146 /nfs/dbraw/zinc/35/31/46/305353146.db2.gz WBWVJZRJPXASPF-AWEZNQCLSA-N 1 1 331.372 1.923 20 5 EDBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452107416 305383445 /nfs/dbraw/zinc/38/34/45/305383445.db2.gz AXPFJPFXNJMZFB-KCQAQPDRSA-N 1 1 336.388 1.691 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000542778272 306057966 /nfs/dbraw/zinc/05/79/66/306057966.db2.gz YPSSQJUBIDGCFO-XJKSGUPXSA-N 1 1 348.403 1.709 20 5 EDBDMO COC(=O)COc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000425992084 447374170 /nfs/dbraw/zinc/37/41/70/447374170.db2.gz AKIHETQIJHJHDW-OKILXGFUSA-N 1 1 349.387 1.140 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)nn21 ZINC000378364624 447422190 /nfs/dbraw/zinc/42/21/90/447422190.db2.gz RAFKWBOXAUWZCB-QWHCGFSZSA-N 1 1 346.391 1.693 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000104076132 441189097 /nfs/dbraw/zinc/18/90/97/441189097.db2.gz VEPIFMBLVCVFRR-AAEUAGOBSA-N 1 1 348.403 1.818 20 5 EDBDMO O=C(C[N@H+]1CCC2(C1)CCOCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072898598 441274679 /nfs/dbraw/zinc/27/46/79/441274679.db2.gz VSOPCYDKQJGLEI-UHFFFAOYSA-N 1 1 345.399 1.986 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000063802651 441354672 /nfs/dbraw/zinc/35/46/72/441354672.db2.gz UGYWKWFAYPLXKS-UHFFFAOYSA-N 1 1 334.376 1.774 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3nc[nH]n3)CC2)c1 ZINC000083424919 441360834 /nfs/dbraw/zinc/36/08/34/441360834.db2.gz JXMBRHNUMWLQKZ-CQSZACIVSA-N 1 1 347.375 1.332 20 5 EDBDMO CCN1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000073963847 441374221 /nfs/dbraw/zinc/37/42/21/441374221.db2.gz LAFRZYLZHCRQEX-UHFFFAOYSA-N 1 1 326.422 1.414 20 5 EDBDMO O=C1CC2(CN1)CC[NH+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000075012593 441486984 /nfs/dbraw/zinc/48/69/84/441486984.db2.gz BJSVMTQEJDXFQT-UHFFFAOYSA-N 1 1 347.371 1.563 20 5 EDBDMO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000108406201 441453009 /nfs/dbraw/zinc/45/30/09/441453009.db2.gz OWXHQUZZHTXEBZ-SNVBAGLBSA-N 1 1 331.369 1.354 20 5 EDBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000108406201 441453012 /nfs/dbraw/zinc/45/30/12/441453012.db2.gz OWXHQUZZHTXEBZ-SNVBAGLBSA-N 1 1 331.369 1.354 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCn1cccn1 ZINC000111279918 441530936 /nfs/dbraw/zinc/53/09/36/441530936.db2.gz RKJZZUIOPLJLCN-UHFFFAOYSA-N 1 1 347.375 1.761 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000111843519 441541889 /nfs/dbraw/zinc/54/18/89/441541889.db2.gz UKSHBFIDTOEBJK-HNNXBMFYSA-N 1 1 336.392 1.505 20 5 EDBDMO COc1c(C)cc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000075682314 441548387 /nfs/dbraw/zinc/54/83/87/441548387.db2.gz QWTLMSYHFNHRLX-INIZCTEOSA-N 1 1 348.403 1.910 20 5 EDBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000114063570 441632647 /nfs/dbraw/zinc/63/26/47/441632647.db2.gz YCNNTYYAGHGGRG-SMDDNHRTSA-N 1 1 335.360 1.441 20 5 EDBDMO Cc1cccc(C(=O)NCCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000041363148 441647299 /nfs/dbraw/zinc/64/72/99/441647299.db2.gz KSIALCZWFGKCIL-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO C[NH+]1CCN(CCCCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000042106563 441705022 /nfs/dbraw/zinc/70/50/22/441705022.db2.gz URSLNCLKSSVCJB-UHFFFAOYSA-N 1 1 338.437 1.744 20 5 EDBDMO CCc1nn(C)c(N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000091672209 441729225 /nfs/dbraw/zinc/72/92/25/441729225.db2.gz ZUCORDFAUUZECS-TXEJJXNPSA-N 1 1 325.413 1.436 20 5 EDBDMO CCc1nn(C)c(N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000091672209 441729228 /nfs/dbraw/zinc/72/92/28/441729228.db2.gz ZUCORDFAUUZECS-TXEJJXNPSA-N 1 1 325.413 1.436 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000068935600 441871553 /nfs/dbraw/zinc/87/15/53/441871553.db2.gz SWWXWGJVWYCDND-NSHDSACASA-N 1 1 331.376 1.931 20 5 EDBDMO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000068935600 441871560 /nfs/dbraw/zinc/87/15/60/441871560.db2.gz SWWXWGJVWYCDND-NSHDSACASA-N 1 1 331.376 1.931 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000068935600 441871563 /nfs/dbraw/zinc/87/15/63/441871563.db2.gz SWWXWGJVWYCDND-NSHDSACASA-N 1 1 331.376 1.931 20 5 EDBDMO Cc1c(C(=O)N2CCC[N@H+](C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000122335112 441846174 /nfs/dbraw/zinc/84/61/74/441846174.db2.gz DVGCSBOCWYXQCI-UHFFFAOYSA-N 1 1 336.348 1.898 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000146618014 441898379 /nfs/dbraw/zinc/89/83/79/441898379.db2.gz LAZZIQARKFNKLO-CYBMUJFWSA-N 1 1 339.417 1.762 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000146623081 441899076 /nfs/dbraw/zinc/89/90/76/441899076.db2.gz WNADGLFFVOPUNS-CYBMUJFWSA-N 1 1 325.390 1.454 20 5 EDBDMO C[C@H]([C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000078510602 441939719 /nfs/dbraw/zinc/93/97/19/441939719.db2.gz KNISOJUZRLEVPN-VTDTZARESA-N 1 1 333.388 1.833 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000069506250 441957061 /nfs/dbraw/zinc/95/70/61/441957061.db2.gz IAFWZDWHUQDBLS-GFCCVEGCSA-N 1 1 347.375 1.312 20 5 EDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000120092309 442005925 /nfs/dbraw/zinc/00/59/25/442005925.db2.gz QWOWQRCBRDTVPT-CYBMUJFWSA-N 1 1 337.376 1.064 20 5 EDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069711146 442020994 /nfs/dbraw/zinc/02/09/94/442020994.db2.gz SHEGKDUEGFCGEG-CQSZACIVSA-N 1 1 333.388 1.779 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000162435857 442094107 /nfs/dbraw/zinc/09/41/07/442094107.db2.gz FMVCDELWYSULBZ-ZDUSSCGKSA-N 1 1 341.433 1.399 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000126302469 442097265 /nfs/dbraw/zinc/09/72/65/442097265.db2.gz NOYPBYGVDCMLBF-NEPJUHHUSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000126302469 442097271 /nfs/dbraw/zinc/09/72/71/442097271.db2.gz NOYPBYGVDCMLBF-NEPJUHHUSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1c(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000127142021 442175250 /nfs/dbraw/zinc/17/52/50/442175250.db2.gz UECVOMADLZCPQM-UWVGGRQHSA-N 1 1 336.348 1.976 20 5 EDBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000154697429 442352160 /nfs/dbraw/zinc/35/21/60/442352160.db2.gz WCIKKQYHRKIHTC-JSGCOSHPSA-N 1 1 341.433 1.839 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000177163806 442307994 /nfs/dbraw/zinc/30/79/94/442307994.db2.gz BHVBONPNKVUQSV-ZJUUUORDSA-N 1 1 329.360 1.826 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000155604432 442411974 /nfs/dbraw/zinc/41/19/74/442411974.db2.gz KRTSFINZCWTWME-UHFFFAOYSA-N 1 1 329.422 1.776 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000134185587 442455655 /nfs/dbraw/zinc/45/56/55/442455655.db2.gz KLDUXDGJLKGCGW-KRWDZBQOSA-N 1 1 349.431 1.881 20 5 EDBDMO O=C(CN1CCC[N@H+](C2CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000172542710 442484976 /nfs/dbraw/zinc/48/49/76/442484976.db2.gz LKQVIGBYXZXASE-UHFFFAOYSA-N 1 1 344.415 1.654 20 5 EDBDMO CSc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000156859709 442528172 /nfs/dbraw/zinc/52/81/72/442528172.db2.gz NMSGPKKMAJKRJQ-MFKMUULPSA-N 1 1 339.417 1.766 20 5 EDBDMO CSc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000156859709 442528178 /nfs/dbraw/zinc/52/81/78/442528178.db2.gz NMSGPKKMAJKRJQ-MFKMUULPSA-N 1 1 339.417 1.766 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186705191 442595758 /nfs/dbraw/zinc/59/57/58/442595758.db2.gz KWOOTCAMRTXLCC-RDJZCZTQSA-N 1 1 344.371 1.284 20 5 EDBDMO COc1cc(C(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000181399953 442694941 /nfs/dbraw/zinc/69/49/41/442694941.db2.gz ONEGGRADGAOQFX-AWEZNQCLSA-N 1 1 345.359 1.124 20 5 EDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000188227714 442726542 /nfs/dbraw/zinc/72/65/42/442726542.db2.gz CSDVDVFPRIOSCJ-CHWSQXEVSA-N 1 1 341.433 1.994 20 5 EDBDMO Cc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000188709411 442794578 /nfs/dbraw/zinc/79/45/78/442794578.db2.gz IPDFVAAYMSREBI-CYBMUJFWSA-N 1 1 335.404 1.820 20 5 EDBDMO CC(C)COC[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246447474 442783044 /nfs/dbraw/zinc/78/30/44/442783044.db2.gz DQROFYMMYIVOTN-UKRRQHHQSA-N 1 1 338.408 1.510 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[N@H+]1C1CC1 ZINC000268040697 442827034 /nfs/dbraw/zinc/82/70/34/442827034.db2.gz XYIVZYCXSAIJHW-QWRGUYRKSA-N 1 1 337.351 1.854 20 5 EDBDMO Cc1c(CC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000194010374 442827688 /nfs/dbraw/zinc/82/76/88/442827688.db2.gz MMDPHUTYOXELAD-QWHCGFSZSA-N 1 1 335.404 1.359 20 5 EDBDMO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000268326894 442948772 /nfs/dbraw/zinc/94/87/72/442948772.db2.gz HLTHIYVPDFETRM-INIZCTEOSA-N 1 1 336.344 1.846 20 5 EDBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000268326894 442948776 /nfs/dbraw/zinc/94/87/76/442948776.db2.gz HLTHIYVPDFETRM-INIZCTEOSA-N 1 1 336.344 1.846 20 5 EDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265757979 442910060 /nfs/dbraw/zinc/91/00/60/442910060.db2.gz GFOTXOJYIZCVLX-MRXNPFEDSA-N 1 1 349.431 1.788 20 5 EDBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000249596735 442993455 /nfs/dbraw/zinc/99/34/55/442993455.db2.gz XAMVVULBTSDQGD-UNEWFSDZSA-N 1 1 338.404 1.817 20 5 EDBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CC1 ZINC000189795592 443012761 /nfs/dbraw/zinc/01/27/61/443012761.db2.gz QGIOCTMZSGLKOG-UHFFFAOYSA-N 1 1 327.406 1.895 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000266178515 443046952 /nfs/dbraw/zinc/04/69/52/443046952.db2.gz XANFCIAMDCJRSO-UHFFFAOYSA-N 1 1 325.365 1.058 20 5 EDBDMO C[N@@H+](CC1(O)CCOCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000189756497 443004484 /nfs/dbraw/zinc/00/44/84/443004484.db2.gz QDNNWQSGJYFDOB-HNNXBMFYSA-N 1 1 349.387 1.173 20 5 EDBDMO Cc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268685447 443076928 /nfs/dbraw/zinc/07/69/28/443076928.db2.gz HKANPVRPYTVZRA-CQSZACIVSA-N 1 1 343.387 1.973 20 5 EDBDMO Cc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268685447 443076933 /nfs/dbraw/zinc/07/69/33/443076933.db2.gz HKANPVRPYTVZRA-CQSZACIVSA-N 1 1 343.387 1.973 20 5 EDBDMO Cc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268685447 443076937 /nfs/dbraw/zinc/07/69/37/443076937.db2.gz HKANPVRPYTVZRA-CQSZACIVSA-N 1 1 343.387 1.973 20 5 EDBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000255516813 443100496 /nfs/dbraw/zinc/10/04/96/443100496.db2.gz OLRSPCGDSVJJHD-ZBTGYSDGSA-N 1 1 347.415 1.961 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000266555594 443167717 /nfs/dbraw/zinc/16/77/17/443167717.db2.gz NYBSAHFNGFNACX-UHFFFAOYSA-N 1 1 338.408 1.405 20 5 EDBDMO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000266502767 443148862 /nfs/dbraw/zinc/14/88/62/443148862.db2.gz VUMCLJQEWLMWAK-RISCZKNCSA-N 1 1 329.360 1.784 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC000266517673 443154178 /nfs/dbraw/zinc/15/41/78/443154178.db2.gz HJQZKZMKZCMFRB-KRWDZBQOSA-N 1 1 348.378 1.998 20 5 EDBDMO C[C@H](O)C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000190910878 443207400 /nfs/dbraw/zinc/20/74/00/443207400.db2.gz OJMWDQGPCLTIEG-UWVGGRQHSA-N 1 1 345.783 1.250 20 5 EDBDMO C[C@H](O)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000190910878 443207403 /nfs/dbraw/zinc/20/74/03/443207403.db2.gz OJMWDQGPCLTIEG-UWVGGRQHSA-N 1 1 345.783 1.250 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266719373 443218674 /nfs/dbraw/zinc/21/86/74/443218674.db2.gz HECIFSYDEQGYQP-UHFFFAOYSA-N 1 1 330.348 1.682 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1n1ccnc1 ZINC000245737582 443247201 /nfs/dbraw/zinc/24/72/01/443247201.db2.gz WUDODYDOEHJYLK-UKRRQHHQSA-N 1 1 331.376 1.536 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358503412 319112619 /nfs/dbraw/zinc/11/26/19/319112619.db2.gz GAIUQBZYWMGXLY-UHFFFAOYSA-N 1 1 332.404 1.917 20 5 EDBDMO CC(C)C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411621128 319189777 /nfs/dbraw/zinc/18/97/77/319189777.db2.gz XEJAQKSAOCREHJ-OAHLLOKOSA-N 1 1 348.403 1.770 20 5 EDBDMO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411621128 319189778 /nfs/dbraw/zinc/18/97/78/319189778.db2.gz XEJAQKSAOCREHJ-OAHLLOKOSA-N 1 1 348.403 1.770 20 5 EDBDMO Cc1cc(NC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000282573176 443378432 /nfs/dbraw/zinc/37/84/32/443378432.db2.gz ZTWZYZKLKURNLB-UHFFFAOYSA-N 1 1 331.376 1.750 20 5 EDBDMO Cc1cc(NC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000282573176 443378439 /nfs/dbraw/zinc/37/84/39/443378439.db2.gz ZTWZYZKLKURNLB-UHFFFAOYSA-N 1 1 331.376 1.750 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000267112404 443346595 /nfs/dbraw/zinc/34/65/95/443346595.db2.gz YSZWHOBWBFKRQD-GFCCVEGCSA-N 1 1 342.421 1.163 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000264627586 443352454 /nfs/dbraw/zinc/35/24/54/443352454.db2.gz NBNIKRCBLPVPTQ-UHFFFAOYSA-N 1 1 343.387 1.948 20 5 EDBDMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000264780463 443421178 /nfs/dbraw/zinc/42/11/78/443421178.db2.gz RWJLOCLNTYLZFR-ZDUSSCGKSA-N 1 1 348.428 1.785 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000264780463 443421184 /nfs/dbraw/zinc/42/11/84/443421184.db2.gz RWJLOCLNTYLZFR-ZDUSSCGKSA-N 1 1 348.428 1.785 20 5 EDBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425440285 319839176 /nfs/dbraw/zinc/83/91/76/319839176.db2.gz DQKMCHFVPWRBOZ-PELKAZGASA-N 1 1 342.193 1.972 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000283180339 443551219 /nfs/dbraw/zinc/55/12/19/443551219.db2.gz DTPPIOQGDMNLHM-UHFFFAOYSA-N 1 1 337.376 1.446 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3c[nH]nc3C2)c([N+](=O)[O-])c1 ZINC000611008625 450403878 /nfs/dbraw/zinc/40/38/78/450403878.db2.gz DWXMYIXPFOTHSX-UHFFFAOYSA-N 1 1 345.359 1.713 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+]2CCc3cn[nH]c3C2)c([N+](=O)[O-])c1 ZINC000611008625 450403888 /nfs/dbraw/zinc/40/38/88/450403888.db2.gz DWXMYIXPFOTHSX-UHFFFAOYSA-N 1 1 345.359 1.713 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3cn[nH]c3C2)c([N+](=O)[O-])c1 ZINC000611008625 450403891 /nfs/dbraw/zinc/40/38/91/450403891.db2.gz DWXMYIXPFOTHSX-UHFFFAOYSA-N 1 1 345.359 1.713 20 5 EDBDMO Cc1c(CN2CCCC[C@H]2CNC(=O)CC[NH3+])cccc1[N+](=O)[O-] ZINC000436067828 320018662 /nfs/dbraw/zinc/01/86/62/320018662.db2.gz UUEHQQPGTRJSTC-HNNXBMFYSA-N 1 1 334.420 1.723 20 5 EDBDMO CC(C)[N@@H+](CCC(=O)N1CCN(C)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000283477704 443642861 /nfs/dbraw/zinc/64/28/61/443642861.db2.gz IXCLKDUTUCVZAT-UHFFFAOYSA-N 1 1 348.447 1.969 20 5 EDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000440862147 320084353 /nfs/dbraw/zinc/08/43/53/320084353.db2.gz SACQIEISVDWUJC-AWEZNQCLSA-N 1 1 341.433 1.920 20 5 EDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000440863254 320084762 /nfs/dbraw/zinc/08/47/62/320084762.db2.gz KUQTVIDSOKUVBX-ZDUSSCGKSA-N 1 1 341.433 1.974 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000441098259 320088726 /nfs/dbraw/zinc/08/87/26/320088726.db2.gz BJKZFSGJUUHYGV-AWEZNQCLSA-N 1 1 335.360 1.951 20 5 EDBDMO CCOC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC12COC2 ZINC000449361291 320184151 /nfs/dbraw/zinc/18/41/51/320184151.db2.gz JDZORHZBTDGXHH-CYBMUJFWSA-N 1 1 338.335 1.745 20 5 EDBDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC12COC2 ZINC000449361291 320184153 /nfs/dbraw/zinc/18/41/53/320184153.db2.gz JDZORHZBTDGXHH-CYBMUJFWSA-N 1 1 338.335 1.745 20 5 EDBDMO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)ncc1[N+](=O)[O-] ZINC000286227763 443671947 /nfs/dbraw/zinc/67/19/47/443671947.db2.gz CMABHAABAPYOIV-AGUYFDCRSA-N 1 1 347.419 1.794 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452115833 320242490 /nfs/dbraw/zinc/24/24/90/320242490.db2.gz MGVNSXOBBMBKLY-HUUCEWRRSA-N 1 1 337.420 1.749 20 5 EDBDMO CC(C)N1CC[C@@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452115833 320242491 /nfs/dbraw/zinc/24/24/91/320242491.db2.gz MGVNSXOBBMBKLY-HUUCEWRRSA-N 1 1 337.420 1.749 20 5 EDBDMO CC(C)N1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452115833 320242492 /nfs/dbraw/zinc/24/24/92/320242492.db2.gz MGVNSXOBBMBKLY-HUUCEWRRSA-N 1 1 337.420 1.749 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000457106654 320320116 /nfs/dbraw/zinc/32/01/16/320320116.db2.gz DJLLCOQYDVJJLX-GFCCVEGCSA-N 1 1 349.387 1.921 20 5 EDBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1c([N+](=O)[O-])ncn1C ZINC000491202557 320366735 /nfs/dbraw/zinc/36/67/35/320366735.db2.gz QCMWFMSTWVUWMQ-KRWDZBQOSA-N 1 1 345.403 1.402 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000493585102 320395089 /nfs/dbraw/zinc/39/50/89/320395089.db2.gz NSHAGWFHRIZOQN-PRJTXATQSA-N 1 1 345.399 1.930 20 5 EDBDMO CC(C)[N@@H+](CCOCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000283691282 443690420 /nfs/dbraw/zinc/69/04/20/443690420.db2.gz ITQAGRHUPGXMLL-HNNXBMFYSA-N 1 1 342.392 1.054 20 5 EDBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc(C(N)=O)cc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000286366642 443699313 /nfs/dbraw/zinc/69/93/13/443699313.db2.gz GBOLKAGIPUFEJC-YOPIWALVSA-N 1 1 331.372 1.549 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000298171185 443711592 /nfs/dbraw/zinc/71/15/92/443711592.db2.gz QLOFPIOFDOMQLN-UHFFFAOYSA-N 1 1 346.387 1.396 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+](CCO)C2CCC2)c([N+](=O)[O-])c1 ZINC000298537127 443794080 /nfs/dbraw/zinc/79/40/80/443794080.db2.gz MUNFRNYZZXTQLH-UHFFFAOYSA-N 1 1 337.376 1.779 20 5 EDBDMO C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292693428 443820007 /nfs/dbraw/zinc/82/00/07/443820007.db2.gz CQXDIYWXNALINC-OAHLLOKOSA-N 1 1 339.417 1.701 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000285096844 443855072 /nfs/dbraw/zinc/85/50/72/443855072.db2.gz DTSSHKKNPFCDBG-UONOGXRCSA-N 1 1 341.314 1.418 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285310893 443937665 /nfs/dbraw/zinc/93/76/65/443937665.db2.gz QMFNQTBZPCUTGK-MIVXPEEVSA-N 1 1 331.372 1.540 20 5 EDBDMO CS(=O)(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000285427083 443981135 /nfs/dbraw/zinc/98/11/35/443981135.db2.gz KFOAACXGLTZSBI-UHFFFAOYSA-N 1 1 327.406 1.356 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000285680820 444071255 /nfs/dbraw/zinc/07/12/55/444071255.db2.gz HRXYDBCXIMECSV-ZIAGYGMSSA-N 1 1 339.779 1.793 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000299487458 444059538 /nfs/dbraw/zinc/05/95/38/444059538.db2.gz ZWKXXZKVQSNVIO-TXEJJXNPSA-N 1 1 334.376 1.393 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000299487458 444059545 /nfs/dbraw/zinc/05/95/45/444059545.db2.gz ZWKXXZKVQSNVIO-TXEJJXNPSA-N 1 1 334.376 1.393 20 5 EDBDMO CC[NH+](CC)[C@H](C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566123189 321218283 /nfs/dbraw/zinc/21/82/83/321218283.db2.gz AXRPUQSQWTWCLF-CYBMUJFWSA-N 1 1 343.449 1.688 20 5 EDBDMO CN(C)C(=O)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000568788575 321307360 /nfs/dbraw/zinc/30/73/60/321307360.db2.gz GRGSMHOWSWMPFK-UHFFFAOYSA-N 1 1 349.391 1.223 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000278141308 444104546 /nfs/dbraw/zinc/10/45/46/444104546.db2.gz AQDWLRBAUBXRES-VHSXEESVSA-N 1 1 348.325 1.900 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000278141308 444104551 /nfs/dbraw/zinc/10/45/51/444104551.db2.gz AQDWLRBAUBXRES-VHSXEESVSA-N 1 1 348.325 1.900 20 5 EDBDMO C[C@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000573932248 321463536 /nfs/dbraw/zinc/46/35/36/321463536.db2.gz HJIBWQPDMQPQGB-LBPRGKRZSA-N 1 1 329.360 1.770 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)C1 ZINC000301266998 444159199 /nfs/dbraw/zinc/15/91/99/444159199.db2.gz 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EDBDMO CCCCNC(=O)NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338361624 444656189 /nfs/dbraw/zinc/65/61/89/444656189.db2.gz QSUYYVHQIUENPC-UHFFFAOYSA-N 1 1 336.392 1.695 20 5 EDBDMO CCCCNC(=O)NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338361624 444656192 /nfs/dbraw/zinc/65/61/92/444656192.db2.gz QSUYYVHQIUENPC-UHFFFAOYSA-N 1 1 336.392 1.695 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344020559 444732102 /nfs/dbraw/zinc/73/21/02/444732102.db2.gz ANWCFTCQGSOSBV-DUVNUKRYSA-N 1 1 333.388 1.935 20 5 EDBDMO C[C@@H]([NH2+]CC(=O)Nc1nc(C2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000341568846 444899924 /nfs/dbraw/zinc/89/99/24/444899924.db2.gz BFLHIJQZDJBWKN-SECBINFHSA-N 1 1 331.332 1.566 20 5 EDBDMO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000330432126 444979512 /nfs/dbraw/zinc/97/95/12/444979512.db2.gz JYLAYWLTKNTPIN-LLVKDONJSA-N 1 1 345.396 1.744 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000330432126 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ZINC000420435828 446609787 /nfs/dbraw/zinc/60/97/87/446609787.db2.gz NJBBZPQUUXMUMH-AWEZNQCLSA-N 1 1 341.433 1.541 20 5 EDBDMO COc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371276813 446735642 /nfs/dbraw/zinc/73/56/42/446735642.db2.gz AFAUCWUNCKBUBR-KBPBESRZSA-N 1 1 349.387 1.587 20 5 EDBDMO COc1ccc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371276813 446735644 /nfs/dbraw/zinc/73/56/44/446735644.db2.gz AFAUCWUNCKBUBR-KBPBESRZSA-N 1 1 349.387 1.587 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1c[nH+]c2n1CCCC2 ZINC000375382080 446760458 /nfs/dbraw/zinc/76/04/58/446760458.db2.gz UZOQFGZQYJDDGA-UHFFFAOYSA-N 1 1 348.334 1.962 20 5 EDBDMO NS(=O)(=O)c1cccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000368297488 446766196 /nfs/dbraw/zinc/76/61/96/446766196.db2.gz FHUISIHXJNVWKY-GHMZBOCLSA-N 1 1 340.405 1.281 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420786276 446820453 /nfs/dbraw/zinc/82/04/53/446820453.db2.gz VGFPHBGSGCLAJJ-CQSZACIVSA-N 1 1 336.392 1.839 20 5 EDBDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000412063706 446825352 /nfs/dbraw/zinc/82/53/52/446825352.db2.gz CAMMYEIKUBMZCG-LBPRGKRZSA-N 1 1 334.376 1.522 20 5 EDBDMO CC(C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000412063706 446825358 /nfs/dbraw/zinc/82/53/58/446825358.db2.gz CAMMYEIKUBMZCG-LBPRGKRZSA-N 1 1 334.376 1.522 20 5 EDBDMO COc1cc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000419009879 446865305 /nfs/dbraw/zinc/86/53/05/446865305.db2.gz WXOOJYHHFWLZCL-WDEREUQCSA-N 1 1 327.356 1.634 20 5 EDBDMO COc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000419009879 446865310 /nfs/dbraw/zinc/86/53/10/446865310.db2.gz WXOOJYHHFWLZCL-WDEREUQCSA-N 1 1 327.356 1.634 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@](O)(Cc3ccc(F)cc3)C2)n1 ZINC000420973768 446945791 /nfs/dbraw/zinc/94/57/91/446945791.db2.gz CTOJMIGGSOLYGE-INIZCTEOSA-N 1 1 334.351 1.610 20 5 EDBDMO CCOC(=O)c1ccnc(NCC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000413437230 447180894 /nfs/dbraw/zinc/18/08/94/447180894.db2.gz JWAMQVTVBCGQEU-GFCCVEGCSA-N 1 1 336.392 2.310 20 5 EDBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000377586939 447226527 /nfs/dbraw/zinc/22/65/27/447226527.db2.gz NUUFGHSLXCBTBH-LLVKDONJSA-N 1 1 329.303 1.429 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000413729876 447231829 /nfs/dbraw/zinc/23/18/29/447231829.db2.gz UXMXFXKOFBUXHS-UWWPHRKUSA-N 1 1 347.415 1.612 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000413729876 447231834 /nfs/dbraw/zinc/23/18/34/447231834.db2.gz UXMXFXKOFBUXHS-UWWPHRKUSA-N 1 1 347.415 1.612 20 5 EDBDMO O=C1NC[C@@H]2C[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]12 ZINC000377650491 447272450 /nfs/dbraw/zinc/27/24/50/447272450.db2.gz JEIWTIVBCDXZEL-IUODEOHRSA-N 1 1 342.355 1.818 20 5 EDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]12 ZINC000377650491 447272453 /nfs/dbraw/zinc/27/24/53/447272453.db2.gz JEIWTIVBCDXZEL-IUODEOHRSA-N 1 1 342.355 1.818 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1[N+](=O)[O-] ZINC000459775382 447760585 /nfs/dbraw/zinc/76/05/85/447760585.db2.gz QKRIHUZMXRJDOX-RYUDHWBXSA-N 1 1 338.385 1.836 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1[N+](=O)[O-] ZINC000459775382 447760588 /nfs/dbraw/zinc/76/05/88/447760588.db2.gz QKRIHUZMXRJDOX-RYUDHWBXSA-N 1 1 338.385 1.836 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000525820136 448033667 /nfs/dbraw/zinc/03/36/67/448033667.db2.gz SBZLUUMQWDKWPZ-NSHDSACASA-N 1 1 327.406 1.523 20 5 EDBDMO C[N@H+]1CCN(CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000582943588 448383483 /nfs/dbraw/zinc/38/34/83/448383483.db2.gz ZWRMOQAWAKNDDP-UHFFFAOYSA-N 1 1 349.435 1.420 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CC[N@H+](CC2CC2)C1 ZINC000591735095 448476854 /nfs/dbraw/zinc/47/68/54/448476854.db2.gz RLTNSIAKWCXBBE-LSDHHAIUSA-N 1 1 335.404 1.408 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000591735095 448476857 /nfs/dbraw/zinc/47/68/57/448476857.db2.gz RLTNSIAKWCXBBE-LSDHHAIUSA-N 1 1 335.404 1.408 20 5 EDBDMO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000518757519 448705845 /nfs/dbraw/zinc/70/58/45/448705845.db2.gz DLRJNMIEXDBEIF-ZNMIVQPWSA-N 1 1 337.420 1.797 20 5 EDBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000567361759 448677229 /nfs/dbraw/zinc/67/72/29/448677229.db2.gz IWIDMMPXYWXCGL-MRXNPFEDSA-N 1 1 341.371 1.846 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000519522841 448776225 /nfs/dbraw/zinc/77/62/25/448776225.db2.gz CKVVMRWXYPOZLF-CJNGLKHVSA-N 1 1 328.372 1.712 20 5 EDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000519794984 448844977 /nfs/dbraw/zinc/84/49/77/448844977.db2.gz VYCHERQSYLOQQM-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000519794984 448844981 /nfs/dbraw/zinc/84/49/81/448844981.db2.gz VYCHERQSYLOQQM-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548089413 448981378 /nfs/dbraw/zinc/98/13/78/448981378.db2.gz JWTOKKHCDWGBSZ-FZMZJTMJSA-N 1 1 329.360 1.568 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000589497621 449026016 /nfs/dbraw/zinc/02/60/16/449026016.db2.gz WCWGAPICEACZNB-LBPRGKRZSA-N 1 1 349.387 1.859 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608384 449077251 /nfs/dbraw/zinc/07/72/51/449077251.db2.gz OSLPOOWMFRFMGS-OLZOCXBDSA-N 1 1 344.375 1.535 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1C ZINC000589924433 449081718 /nfs/dbraw/zinc/08/17/18/449081718.db2.gz CAWNWXJBGSVBJO-JSGCOSHPSA-N 1 1 339.417 1.536 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1C ZINC000589930116 449084689 /nfs/dbraw/zinc/08/46/89/449084689.db2.gz SQQWYPVKRRKAPX-TZMCWYRMSA-N 1 1 339.417 1.536 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590012789 449096380 /nfs/dbraw/zinc/09/63/80/449096380.db2.gz YNJMFWGCXJDUMK-SMDDNHRTSA-N 1 1 334.376 1.178 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c1 ZINC000593028359 449107924 /nfs/dbraw/zinc/10/79/24/449107924.db2.gz BSSKIWFFGCNBAB-RISCZKNCSA-N 1 1 338.360 1.353 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c1 ZINC000593028359 449107928 /nfs/dbraw/zinc/10/79/28/449107928.db2.gz BSSKIWFFGCNBAB-RISCZKNCSA-N 1 1 338.360 1.353 20 5 EDBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCOC1 ZINC000593066424 449120758 /nfs/dbraw/zinc/12/07/58/449120758.db2.gz DBBBWBRIKOVPII-HNNXBMFYSA-N 1 1 333.388 1.985 20 5 EDBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCOC1 ZINC000593066424 449120761 /nfs/dbraw/zinc/12/07/61/449120761.db2.gz DBBBWBRIKOVPII-HNNXBMFYSA-N 1 1 333.388 1.985 20 5 EDBDMO COc1ccc2c(c1)CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595760679 449153349 /nfs/dbraw/zinc/15/33/49/449153349.db2.gz VGXAYXYXXNLFGM-UHFFFAOYSA-N 1 1 329.356 1.823 20 5 EDBDMO COc1ccc2c(c1)CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595760679 449153354 /nfs/dbraw/zinc/15/33/54/449153354.db2.gz VGXAYXYXXNLFGM-UHFFFAOYSA-N 1 1 329.356 1.823 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595766199 449156060 /nfs/dbraw/zinc/15/60/60/449156060.db2.gz MVMAEGDIGYPJOE-BXUZGUMPSA-N 1 1 337.376 1.777 20 5 EDBDMO O=C1[C@H]([N@H+]2CCC[C@@](O)(C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595750835 449146790 /nfs/dbraw/zinc/14/67/90/449146790.db2.gz OFMREIBPRLQVGW-AEFFLSMTSA-N 1 1 345.399 1.937 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000590402387 449149060 /nfs/dbraw/zinc/14/90/60/449149060.db2.gz SSYROQZMCXOKTP-NEPJUHHUSA-N 1 1 325.390 1.592 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000590403237 449150090 /nfs/dbraw/zinc/15/00/90/449150090.db2.gz ZVLJTHDRKATFHR-HZPDHXFCSA-N 1 1 349.387 1.295 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595757285 449150343 /nfs/dbraw/zinc/15/03/43/449150343.db2.gz IPIGKDYCDHNXPK-ZBEGNZNMSA-N 1 1 335.360 1.510 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595757285 449150349 /nfs/dbraw/zinc/15/03/49/449150349.db2.gz IPIGKDYCDHNXPK-ZBEGNZNMSA-N 1 1 335.360 1.510 20 5 EDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000611165887 449194274 /nfs/dbraw/zinc/19/42/74/449194274.db2.gz GAXHPAGGAIKXLR-UHFFFAOYSA-N 1 1 341.795 1.777 20 5 EDBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000611234670 449229738 /nfs/dbraw/zinc/22/97/38/449229738.db2.gz QWAMTOQQEVEVKY-UHFFFAOYSA-N 1 1 340.343 1.752 20 5 EDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000611254010 449238612 /nfs/dbraw/zinc/23/86/12/449238612.db2.gz DNWLZSMXHGEQQB-MRXNPFEDSA-N 1 1 335.404 1.987 20 5 EDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000611254010 449238617 /nfs/dbraw/zinc/23/86/17/449238617.db2.gz DNWLZSMXHGEQQB-MRXNPFEDSA-N 1 1 335.404 1.987 20 5 EDBDMO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000600201129 449241887 /nfs/dbraw/zinc/24/18/87/449241887.db2.gz DIGUHUSMJIIUAD-UHFFFAOYSA-N 1 1 348.403 1.074 20 5 EDBDMO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000600201129 449241892 /nfs/dbraw/zinc/24/18/92/449241892.db2.gz DIGUHUSMJIIUAD-UHFFFAOYSA-N 1 1 348.403 1.074 20 5 EDBDMO CCNC(=O)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000611262362 449242039 /nfs/dbraw/zinc/24/20/39/449242039.db2.gz LBIGBTJAQWXWKI-UHFFFAOYSA-N 1 1 331.376 1.563 20 5 EDBDMO CCNC(=O)C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000611262362 449242043 /nfs/dbraw/zinc/24/20/43/449242043.db2.gz LBIGBTJAQWXWKI-UHFFFAOYSA-N 1 1 331.376 1.563 20 5 EDBDMO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000593996029 449316526 /nfs/dbraw/zinc/31/65/26/449316526.db2.gz HIRMFHWBJBPYBH-OAHLLOKOSA-N 1 1 335.404 1.900 20 5 EDBDMO COc1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000593996029 449316530 /nfs/dbraw/zinc/31/65/30/449316530.db2.gz HIRMFHWBJBPYBH-OAHLLOKOSA-N 1 1 335.404 1.900 20 5 EDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000611515548 449317319 /nfs/dbraw/zinc/31/73/19/449317319.db2.gz BCLJCKOICNUCPB-UHFFFAOYSA-N 1 1 346.387 1.605 20 5 EDBDMO COCCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000593517955 449321544 /nfs/dbraw/zinc/32/15/44/449321544.db2.gz LXDXACBDFPGLHS-UHFFFAOYSA-N 1 1 339.392 1.388 20 5 EDBDMO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099574 449353941 /nfs/dbraw/zinc/35/39/41/449353941.db2.gz SSSYAUSSFMVBLH-MCIONIFRSA-N 1 1 335.404 1.751 20 5 EDBDMO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099574 449353945 /nfs/dbraw/zinc/35/39/45/449353945.db2.gz SSSYAUSSFMVBLH-MCIONIFRSA-N 1 1 335.404 1.751 20 5 EDBDMO C[N@@H+](CCc1ccccc1)CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000602122525 449362494 /nfs/dbraw/zinc/36/24/94/449362494.db2.gz DSIFMWFDWCMAIJ-UHFFFAOYSA-N 1 1 331.376 1.082 20 5 EDBDMO COc1ccccc1C[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596111106 449366348 /nfs/dbraw/zinc/36/63/48/449366348.db2.gz XPFXYGQETQMLQU-UHFFFAOYSA-N 1 1 343.387 1.903 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593540134 449334468 /nfs/dbraw/zinc/33/44/68/449334468.db2.gz LBISJQKNPIHJEH-CQSZACIVSA-N 1 1 339.367 1.192 20 5 EDBDMO Cc1cccc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598453181 449403686 /nfs/dbraw/zinc/40/36/86/449403686.db2.gz PRRVIDKUUYRDPE-AWEZNQCLSA-N 1 1 333.388 1.574 20 5 EDBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594236620 449404317 /nfs/dbraw/zinc/40/43/17/449404317.db2.gz XTTOEFIDXWKRER-VHDGCEQUSA-N 1 1 348.403 1.425 20 5 EDBDMO O=[N+]([O-])c1cccc2ncnc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)c21 ZINC000596538460 449545499 /nfs/dbraw/zinc/54/54/99/449545499.db2.gz KYPWILMNZGHBGV-ZDUSSCGKSA-N 1 1 343.387 1.573 20 5 EDBDMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000596552715 449549474 /nfs/dbraw/zinc/54/94/74/449549474.db2.gz VDPPRKCYAFNZNP-MRXNPFEDSA-N 1 1 341.415 1.640 20 5 EDBDMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000596552715 449549482 /nfs/dbraw/zinc/54/94/82/449549482.db2.gz VDPPRKCYAFNZNP-MRXNPFEDSA-N 1 1 341.415 1.640 20 5 EDBDMO O=c1[nH]ccc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596425283 449495982 /nfs/dbraw/zinc/49/59/82/449495982.db2.gz XMRWZVNYCAKGLA-CQSZACIVSA-N 1 1 344.371 1.874 20 5 EDBDMO C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1CO ZINC000598645294 449514856 /nfs/dbraw/zinc/51/48/56/449514856.db2.gz CBDPSYRRXHJOCI-XJKCOSOUSA-N 1 1 333.388 1.650 20 5 EDBDMO C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591833 449586671 /nfs/dbraw/zinc/58/66/71/449586671.db2.gz MMQGEMKIKPOHBK-UPJWGTAASA-N 1 1 345.403 2.448 20 5 EDBDMO C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591833 449586673 /nfs/dbraw/zinc/58/66/73/449586673.db2.gz MMQGEMKIKPOHBK-UPJWGTAASA-N 1 1 345.403 2.448 20 5 EDBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000601039606 449669944 /nfs/dbraw/zinc/66/99/44/449669944.db2.gz DVNIMJFMCAJFMW-OCCSQVGLSA-N 1 1 337.351 1.405 20 5 EDBDMO Cc1ccc([C@@H](C)[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000599086849 449724361 /nfs/dbraw/zinc/72/43/61/449724361.db2.gz VIYCMVSRXYGCRB-LLVKDONJSA-N 1 1 342.421 1.044 20 5 EDBDMO COC[C@](C)(CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602587983 449689797 /nfs/dbraw/zinc/68/97/97/449689797.db2.gz KOAPBVRJBMHBHA-JTQLQIEISA-N 1 1 339.211 1.906 20 5 EDBDMO C[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617690062 449737145 /nfs/dbraw/zinc/73/71/45/449737145.db2.gz OTZONHKRQIADKT-CQSZACIVSA-N 1 1 334.420 1.452 20 5 EDBDMO O=[N+]([O-])c1cc(Br)cnc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175980 449781175 /nfs/dbraw/zinc/78/11/75/449781175.db2.gz MBZCRCPGSHAWEK-SECBINFHSA-N 1 1 331.170 1.231 20 5 EDBDMO C[N@H+]1CCCC[C@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000599138128 449758934 /nfs/dbraw/zinc/75/89/34/449758934.db2.gz GRVSSRGYEIVVGR-LLVKDONJSA-N 1 1 342.421 1.386 20 5 EDBDMO C[C@@H]1OCC[C@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000602763633 449789385 /nfs/dbraw/zinc/78/93/85/449789385.db2.gz REBGFWANXXURTA-RYUDHWBXSA-N 1 1 339.417 1.839 20 5 EDBDMO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602810018 449825370 /nfs/dbraw/zinc/82/53/70/449825370.db2.gz JTQRQJVCFZJPIG-AWEZNQCLSA-N 1 1 349.391 1.996 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601337702 449846048 /nfs/dbraw/zinc/84/60/48/449846048.db2.gz CYUOGIRJGBQWIE-SNVBAGLBSA-N 1 1 333.435 1.537 20 5 EDBDMO CC1(C)CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1CCO ZINC000614829032 449838045 /nfs/dbraw/zinc/83/80/45/449838045.db2.gz CIOXEBCCNDULRV-UHFFFAOYSA-N 1 1 331.376 1.431 20 5 EDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC[N@H+]1CC[C@H](O)C1 ZINC000599199430 449794156 /nfs/dbraw/zinc/79/41/56/449794156.db2.gz KPYZUPLYZORGRS-NSHDSACASA-N 1 1 332.360 1.052 20 5 EDBDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602847740 449854204 /nfs/dbraw/zinc/85/42/04/449854204.db2.gz BATLNESTDHHULS-LBPRGKRZSA-N 1 1 349.313 1.100 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](c3cccnc3)C2)c1 ZINC000602852708 449859008 /nfs/dbraw/zinc/85/90/08/449859008.db2.gz GMMWEEVNAFNEOR-HOCLYGCPSA-N 1 1 331.376 1.427 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601338643 449847296 /nfs/dbraw/zinc/84/72/96/449847296.db2.gz JSPDEUUWWLKKBS-SECBINFHSA-N 1 1 335.451 1.973 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000595047014 449849957 /nfs/dbraw/zinc/84/99/57/449849957.db2.gz QAAMOZPKQODYIJ-WDEREUQCSA-N 1 1 343.405 1.288 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)C1 ZINC000595194155 449936455 /nfs/dbraw/zinc/93/64/55/449936455.db2.gz JQZFLDMYRNHRIV-CYBMUJFWSA-N 1 1 348.403 1.696 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)nc1 ZINC000599464214 449996523 /nfs/dbraw/zinc/99/65/23/449996523.db2.gz KHGSYFGJDAFLSD-GFCCVEGCSA-N 1 1 340.405 1.285 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599413008 449958165 /nfs/dbraw/zinc/95/81/65/449958165.db2.gz RETLWGPMIFRVBF-ZDUSSCGKSA-N 1 1 341.433 1.913 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000601439036 449960255 /nfs/dbraw/zinc/96/02/55/449960255.db2.gz AZGMHMBJRIYZIW-LLVKDONJSA-N 1 1 328.394 1.095 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000601439036 449960257 /nfs/dbraw/zinc/96/02/57/449960257.db2.gz AZGMHMBJRIYZIW-LLVKDONJSA-N 1 1 328.394 1.095 20 5 EDBDMO COc1cc(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000609200465 449976396 /nfs/dbraw/zinc/97/63/96/449976396.db2.gz FXHDSOMRRUSGFF-GFCCVEGCSA-N 1 1 337.376 1.222 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609387938 450022506 /nfs/dbraw/zinc/02/25/06/450022506.db2.gz PSMZGWQSVSWOHO-CYBMUJFWSA-N 1 1 339.417 1.666 20 5 EDBDMO CC1(C)[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000603116040 450077716 /nfs/dbraw/zinc/07/77/16/450077716.db2.gz MUMAOCCAPUQGGA-HOTGVXAUSA-N 1 1 347.415 1.753 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000599639058 450121097 /nfs/dbraw/zinc/12/10/97/450121097.db2.gz XAIRXXJCNGNOGO-WMLDXEAASA-N 1 1 334.372 1.976 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597581859 450125041 /nfs/dbraw/zinc/12/50/41/450125041.db2.gz RRYWRFVVHPYHBZ-KGLIPLIRSA-N 1 1 337.351 1.862 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599672345 450142462 /nfs/dbraw/zinc/14/24/62/450142462.db2.gz LZCLMNJORHLERF-SDDRHHMPSA-N 1 1 337.376 1.633 20 5 EDBDMO Cc1noc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595450695 450151391 /nfs/dbraw/zinc/15/13/91/450151391.db2.gz VXOQMBBEHJEMCQ-QMMMGPOBSA-N 1 1 336.270 1.392 20 5 EDBDMO Cc1noc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595450695 450151395 /nfs/dbraw/zinc/15/13/95/450151395.db2.gz VXOQMBBEHJEMCQ-QMMMGPOBSA-N 1 1 336.270 1.392 20 5 EDBDMO COc1ccc(OCC[N@H+](C)CC(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC000610367188 450201571 /nfs/dbraw/zinc/20/15/71/450201571.db2.gz NOHNWGFKCRJNIX-UHFFFAOYSA-N 1 1 337.376 1.536 20 5 EDBDMO COc1ccc(OCC[N@@H+](C)CC(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC000610367188 450201577 /nfs/dbraw/zinc/20/15/77/450201577.db2.gz NOHNWGFKCRJNIX-UHFFFAOYSA-N 1 1 337.376 1.536 20 5 EDBDMO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000610396698 450206342 /nfs/dbraw/zinc/20/63/42/450206342.db2.gz JOWYOVOLUZIEPO-CYBMUJFWSA-N 1 1 347.371 1.215 20 5 EDBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2nnnn2C2CC2)n1 ZINC000618571851 450249019 /nfs/dbraw/zinc/24/90/19/450249019.db2.gz COCDUXVKCUHZKL-RYUDHWBXSA-N 1 1 332.368 1.386 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000184356775 533907195 /nfs/dbraw/zinc/90/71/95/533907195.db2.gz IMKJXUZSDRNRIG-CQSZACIVSA-N 1 1 334.420 1.280 20 5 EDBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000187938143 534203344 /nfs/dbraw/zinc/20/33/44/534203344.db2.gz XAMVVULBTSDQGD-UKPHBRMFSA-N 1 1 338.404 1.817 20 5 EDBDMO CC[NH+]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000340423889 535643545 /nfs/dbraw/zinc/64/35/45/535643545.db2.gz CJVJRKWQXJIHQM-UHFFFAOYSA-N 1 1 329.360 1.558 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000332219372 536469109 /nfs/dbraw/zinc/46/91/09/536469109.db2.gz LUFNXXOEXIBWMD-KBPBESRZSA-N 1 1 339.779 1.793 20 5 EDBDMO COc1cc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000345243539 536754362 /nfs/dbraw/zinc/75/43/62/536754362.db2.gz APMMJOWGHTVJEW-OAHLLOKOSA-N 1 1 335.404 1.900 20 5 EDBDMO O=[N+]([O-])c1c(N2CCC[C@@H]2C[NH+]2CCOCC2)nc2ccccn21 ZINC000777788161 580450305 /nfs/dbraw/zinc/45/03/05/580450305.db2.gz HBJDHPRYLDAJAW-CYBMUJFWSA-N 1 1 331.376 1.544 20 5 EDBDMO C[N@H+]1CC[C@](O)(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000763142972 580093911 /nfs/dbraw/zinc/09/39/11/580093911.db2.gz BOBPZIGGYPUGGK-AWEZNQCLSA-N 1 1 342.783 1.114 20 5 EDBDMO COc1cc(N2CCN(c3[nH+]ccn3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000768504108 580214842 /nfs/dbraw/zinc/21/48/42/580214842.db2.gz LIMHOKVDGIDZMH-UHFFFAOYSA-N 1 1 335.339 1.803 20 5 EDBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768837629 580221851 /nfs/dbraw/zinc/22/18/51/580221851.db2.gz NXHFUHCLAGBBQX-JTQLQIEISA-N 1 1 331.419 1.514 20 5 EDBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768837629 580221852 /nfs/dbraw/zinc/22/18/52/580221852.db2.gz NXHFUHCLAGBBQX-JTQLQIEISA-N 1 1 331.419 1.514 20 5 EDBDMO C[S@@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000771145755 580280859 /nfs/dbraw/zinc/28/08/59/580280859.db2.gz KULCVCNWVKGRKI-XMMPIXPASA-N 1 1 348.428 1.644 20 5 EDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000771399876 580285830 /nfs/dbraw/zinc/28/58/30/580285830.db2.gz XGOIHLKKGOZKCL-QWRGUYRKSA-N 1 1 325.340 1.664 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000771417358 580286318 /nfs/dbraw/zinc/28/63/18/580286318.db2.gz HRBHLWCZKNGUIM-MNOVXSKESA-N 1 1 336.348 1.976 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000771417358 580286319 /nfs/dbraw/zinc/28/63/19/580286319.db2.gz HRBHLWCZKNGUIM-MNOVXSKESA-N 1 1 336.348 1.976 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781611071 580553329 /nfs/dbraw/zinc/55/33/29/580553329.db2.gz WYCCFCZMMOUTRK-CYBMUJFWSA-N 1 1 336.348 1.646 20 5 EDBDMO CC1(C)CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000781675972 580554434 /nfs/dbraw/zinc/55/44/34/580554434.db2.gz CCZWODLKLUMKHD-YVMONPNESA-N 1 1 333.388 1.523 20 5 EDBDMO COc1ccc(OCCO[NH+]=C(N)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000782332726 580572125 /nfs/dbraw/zinc/57/21/25/580572125.db2.gz PUBSAAJVKGBULH-UHFFFAOYSA-N 1 1 339.348 1.907 20 5 EDBDMO O=C(CC[N@H+](CCO)CC1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782481809 580575779 /nfs/dbraw/zinc/57/57/79/580575779.db2.gz RQYTYJMVTRXDCU-UHFFFAOYSA-N 1 1 325.340 1.767 20 5 EDBDMO COc1cc(OCC(=O)NCC[N@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000783919415 580608325 /nfs/dbraw/zinc/60/83/25/580608325.db2.gz XSZODZXUFHZFPC-GFCCVEGCSA-N 1 1 337.376 1.583 20 5 EDBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796375438 580952515 /nfs/dbraw/zinc/95/25/15/580952515.db2.gz JBOGGBGCFIDAOF-XYPHTWIQSA-N 1 1 335.404 1.423 20 5 EDBDMO C[NH+](C)C1(CS(=O)(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000866948607 591384108 /nfs/dbraw/zinc/38/41/08/591384108.db2.gz KRKAJGCIYKRYHH-UHFFFAOYSA-N 1 1 347.824 1.762 20 5 EDBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896551517 591517267 /nfs/dbraw/zinc/51/72/67/591517267.db2.gz ZUNAIDKGROUIMR-QMTHXVAHSA-N 1 1 340.811 1.612 20 5 EDBDMO CNc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896582719 591541334 /nfs/dbraw/zinc/54/13/34/591541334.db2.gz YHEOOJBMNUQLBU-NHYWBVRUSA-N 1 1 335.408 1.001 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896915374 591678114 /nfs/dbraw/zinc/67/81/14/591678114.db2.gz WPPLCFOPWGRBON-ABAIWWIYSA-N 1 1 339.417 1.386 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1C ZINC000899152674 591709449 /nfs/dbraw/zinc/70/94/49/591709449.db2.gz ASJLFWWKRZFMIM-ZDUSSCGKSA-N 1 1 335.404 1.787 20 5 EDBDMO COc1cc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])cc1C ZINC000897218484 591773450 /nfs/dbraw/zinc/77/34/50/591773450.db2.gz DFZUVDOSCOEWCZ-UONOGXRCSA-N 1 1 335.404 1.947 20 5 EDBDMO COc1cc([C@@H](C)[NH2+]CCCN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903060284 592111709 /nfs/dbraw/zinc/11/17/09/592111709.db2.gz VOKKYWNBQYLPLF-CQSZACIVSA-N 1 1 336.436 1.892 20 5 EDBDMO Cc1cc(F)cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000900811812 592133054 /nfs/dbraw/zinc/13/30/54/592133054.db2.gz OKXQKXAZANVWNN-BXUZGUMPSA-N 1 1 338.383 1.406 20 5 EDBDMO CN1CC[N@@H+](C)CC(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000907087340 592515034 /nfs/dbraw/zinc/51/50/34/592515034.db2.gz RWLVOEXLKVKBEP-UHFFFAOYSA-N 1 1 346.431 1.579 20 5 EDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000912027527 593049602 /nfs/dbraw/zinc/04/96/02/593049602.db2.gz RXNZVLLWIOCJQT-PHIMTYICSA-N 1 1 335.360 1.878 20 5 EDBDMO O=[N+]([O-])c1ccccc1-c1nnn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000912459219 593096440 /nfs/dbraw/zinc/09/64/40/593096440.db2.gz QWUPVIMNSCYHOX-TXEJJXNPSA-N 1 1 330.348 1.112 20 5 EDBDMO O=[N+]([O-])c1ccccc1-c1nnn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000912459219 593096441 /nfs/dbraw/zinc/09/64/41/593096441.db2.gz QWUPVIMNSCYHOX-TXEJJXNPSA-N 1 1 330.348 1.112 20 5 EDBDMO COC(C)(C)C[N@H+](C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840025642 593388445 /nfs/dbraw/zinc/38/84/45/593388445.db2.gz ZCQCNRZCUIXHJY-OAHLLOKOSA-N 1 1 337.376 1.846 20 5 EDBDMO COC(C)(C)C[N@@H+](C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840025642 593388447 /nfs/dbraw/zinc/38/84/47/593388447.db2.gz ZCQCNRZCUIXHJY-OAHLLOKOSA-N 1 1 337.376 1.846 20 5 EDBDMO Cc1nn(CCC(=O)O[C@H](C)Cn2cc[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000810616496 593416853 /nfs/dbraw/zinc/41/68/53/593416853.db2.gz UCGDXKYCOFPQIK-SNVBAGLBSA-N 1 1 335.364 1.935 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000817679597 593623167 /nfs/dbraw/zinc/62/31/67/593623167.db2.gz UPAJJDXOBHLJRY-SNVBAGLBSA-N 1 1 335.389 1.766 20 5 EDBDMO C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815557413 593642587 /nfs/dbraw/zinc/64/25/87/593642587.db2.gz UKAVVNQLXMAIOF-ZDUSSCGKSA-N 1 1 335.452 1.854 20 5 EDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000818003035 593655696 /nfs/dbraw/zinc/65/56/96/593655696.db2.gz NFEDDVBRVOTBCW-UHFFFAOYSA-N 1 1 347.419 1.123 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000819063039 593736782 /nfs/dbraw/zinc/73/67/82/593736782.db2.gz VXURYOJMLGSXPQ-QZTJIDSGSA-N 1 1 349.431 1.861 20 5 EDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC(C[NH+]3CCOCC3)C2)c1 ZINC000820591231 593839605 /nfs/dbraw/zinc/83/96/05/593839605.db2.gz DXVSRBHLYYCPSA-UHFFFAOYSA-N 1 1 325.340 1.511 20 5 EDBDMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820753566 593881958 /nfs/dbraw/zinc/88/19/58/593881958.db2.gz ZHSIVCHFSHWZGA-JOYOIKCWSA-N 1 1 332.368 1.311 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821164874 593980630 /nfs/dbraw/zinc/98/06/30/593980630.db2.gz LINUXFTXVGAIGS-LLVKDONJSA-N 1 1 331.380 1.553 20 5 EDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825363717 594173889 /nfs/dbraw/zinc/17/38/89/594173889.db2.gz AOXFVIWCXARBGZ-ABAIWWIYSA-N 1 1 332.360 1.586 20 5 EDBDMO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000829293434 594593590 /nfs/dbraw/zinc/59/35/90/594593590.db2.gz QIZCUXFXWZVPQH-UHFFFAOYSA-N 1 1 339.417 1.841 20 5 EDBDMO NC(=O)C[NH+]1CCC(Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000827341985 594662841 /nfs/dbraw/zinc/66/28/41/594662841.db2.gz AQDXXDKTJYJDFO-UHFFFAOYSA-N 1 1 329.360 1.505 20 5 EDBDMO O=C(NCc1c[nH+]c2n1CCCC2)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832048236 594722120 /nfs/dbraw/zinc/72/21/20/594722120.db2.gz KLDGCRZLIRAXCB-OAHLLOKOSA-N 1 1 330.344 1.477 20 5 EDBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000832272877 594739406 /nfs/dbraw/zinc/73/94/06/594739406.db2.gz OIYOZZSCMUQYNQ-MFKMUULPSA-N 1 1 343.380 1.367 20 5 EDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000841457925 594903810 /nfs/dbraw/zinc/90/38/10/594903810.db2.gz XCFLSQXUTGMQPR-ZKHYDWRDSA-N 1 1 347.415 1.912 20 5 EDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000842615671 595142874 /nfs/dbraw/zinc/14/28/74/595142874.db2.gz PZSNKFAJFCEHEW-CYBMUJFWSA-N 1 1 339.359 1.878 20 5 EDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000842615671 595142876 /nfs/dbraw/zinc/14/28/76/595142876.db2.gz PZSNKFAJFCEHEW-CYBMUJFWSA-N 1 1 339.359 1.878 20 5 EDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000843899157 595211791 /nfs/dbraw/zinc/21/17/91/595211791.db2.gz YEWUMGAAPKZOBU-GFCCVEGCSA-N 1 1 339.367 1.619 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846661983 595295094 /nfs/dbraw/zinc/29/50/94/595295094.db2.gz OQWCRDIEPICWAV-LLVKDONJSA-N 1 1 325.752 1.139 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846661983 595295098 /nfs/dbraw/zinc/29/50/98/595295098.db2.gz OQWCRDIEPICWAV-LLVKDONJSA-N 1 1 325.752 1.139 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000847179657 595371881 /nfs/dbraw/zinc/37/18/81/595371881.db2.gz ATBACCZDOANCTE-VHSXEESVSA-N 1 1 340.767 1.531 20 5 EDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487454 595393566 /nfs/dbraw/zinc/39/35/66/595393566.db2.gz SFXBMGHKBXVQCV-KRWDZBQOSA-N 1 1 343.387 1.874 20 5 EDBDMO CN(C[C@@H]1CCC[N@H+]1C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490272 595394781 /nfs/dbraw/zinc/39/47/81/595394781.db2.gz YITQRSBDYWBDJW-DLBZAZTESA-N 1 1 346.431 1.894 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848591100 595411730 /nfs/dbraw/zinc/41/17/30/595411730.db2.gz SLBUODIXDQGGRZ-GWCFXTLKSA-N 1 1 341.314 1.729 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854955416 595543529 /nfs/dbraw/zinc/54/35/29/595543529.db2.gz VIBBAPGCLATCOJ-WDEREUQCSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854955416 595543531 /nfs/dbraw/zinc/54/35/31/595543531.db2.gz VIBBAPGCLATCOJ-WDEREUQCSA-N 1 1 325.340 1.261 20 5 EDBDMO CC(C)(CCC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[N+](=O)[O-] ZINC000855404942 595695801 /nfs/dbraw/zinc/69/58/01/595695801.db2.gz YOVOGKNUXFHICD-INIZCTEOSA-N 1 1 349.431 1.705 20 5 EDBDMO C[C@@]1(C(N)=O)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853511742 595776442 /nfs/dbraw/zinc/77/64/42/595776442.db2.gz SWCINUDWOSPJHA-OAHLLOKOSA-N 1 1 330.348 1.008 20 5 EDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853511742 595776444 /nfs/dbraw/zinc/77/64/44/595776444.db2.gz SWCINUDWOSPJHA-OAHLLOKOSA-N 1 1 330.348 1.008 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)OC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000851466176 595817372 /nfs/dbraw/zinc/81/73/72/595817372.db2.gz PJCKXGWZDPJFNI-CQSZACIVSA-N 1 1 330.344 1.609 20 5 EDBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000853594144 595821449 /nfs/dbraw/zinc/82/14/49/595821449.db2.gz OZXRJIICUMWTQL-CYBMUJFWSA-N 1 1 343.387 1.846 20 5 EDBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000861346372 595953662 /nfs/dbraw/zinc/95/36/62/595953662.db2.gz HVLZCYVHZKQNHI-UKRRQHHQSA-N 1 1 326.324 2.000 20 5 EDBDMO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000854334175 596039766 /nfs/dbraw/zinc/03/97/66/596039766.db2.gz COVHKOHLLFQOSN-RRFJBIMHSA-N 1 1 341.452 1.372 20 5 EDBDMO O=c1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000859890430 596216408 /nfs/dbraw/zinc/21/64/08/596216408.db2.gz UTSAOHNVNXFLQO-HUUCEWRRSA-N 1 1 330.344 1.961 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865584614 596618216 /nfs/dbraw/zinc/61/82/16/596618216.db2.gz YEUGGVZPGHASRT-LBPRGKRZSA-N 1 1 325.340 1.113 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000867974831 596640938 /nfs/dbraw/zinc/64/09/38/596640938.db2.gz WOOPLQGJMPNDJA-QBIMZIAESA-N 1 1 346.431 1.711 20 5 EDBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000119953939 596797548 /nfs/dbraw/zinc/79/75/48/596797548.db2.gz HUXKPGRQLFIOEC-BDAKNGLRSA-N 1 1 331.419 1.560 20 5 EDBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000119953939 596797551 /nfs/dbraw/zinc/79/75/51/596797551.db2.gz HUXKPGRQLFIOEC-BDAKNGLRSA-N 1 1 331.419 1.560 20 5 EDBDMO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027261 596797652 /nfs/dbraw/zinc/79/76/52/596797652.db2.gz COUFSJKBOGNOSR-MNOVXSKESA-N 1 1 345.396 1.809 20 5 EDBDMO C[C@@]([NH3+])(C(=O)N1CCO[C@H](C(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000872268841 596862104 /nfs/dbraw/zinc/86/21/04/596862104.db2.gz KXMPDJHTVJGCCV-WFASDCNBSA-N 1 1 343.330 1.651 20 5 EDBDMO O=C([O-])C[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000874050238 596908199 /nfs/dbraw/zinc/90/81/99/596908199.db2.gz OGZSWIVIKHEPIE-UHFFFAOYSA-N 1 1 327.768 1.887 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000874170930 596950920 /nfs/dbraw/zinc/95/09/20/596950920.db2.gz ZLGNDBOGHQWAPT-DOMZBBRYSA-N 1 1 346.387 1.394 20 5 EDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872785376 597066491 /nfs/dbraw/zinc/06/64/91/597066491.db2.gz AWDXFGGPGDXVIJ-OZVIIMIRSA-N 1 1 333.344 1.068 20 5 EDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872785376 597066494 /nfs/dbraw/zinc/06/64/94/597066494.db2.gz AWDXFGGPGDXVIJ-OZVIIMIRSA-N 1 1 333.344 1.068 20 5 EDBDMO Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000882987926 597608154 /nfs/dbraw/zinc/60/81/54/597608154.db2.gz UEKZBICEDXFMIC-OAHLLOKOSA-N 1 1 349.435 1.386 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879576459 597639208 /nfs/dbraw/zinc/63/92/08/597639208.db2.gz SKPAPRLSBKFFDR-KGLIPLIRSA-N 1 1 332.404 1.868 20 5 EDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H](C(F)(F)F)O1 ZINC000880058475 597825501 /nfs/dbraw/zinc/82/55/01/597825501.db2.gz CJLADTQOEGOQAH-JQWIXIFHSA-N 1 1 349.309 1.798 20 5 EDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H](C(F)(F)F)O1 ZINC000880058475 597825504 /nfs/dbraw/zinc/82/55/04/597825504.db2.gz CJLADTQOEGOQAH-JQWIXIFHSA-N 1 1 349.309 1.798 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCCCCNC(=O)CC1 ZINC000879255049 597865985 /nfs/dbraw/zinc/86/59/85/597865985.db2.gz COTKCHHKAFGCKE-UHFFFAOYSA-N 1 1 336.392 1.139 20 5 EDBDMO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000882765889 598048299 /nfs/dbraw/zinc/04/82/99/598048299.db2.gz NIIBZDUDYRHPAB-CYBMUJFWSA-N 1 1 327.406 1.151 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000882765889 598048303 /nfs/dbraw/zinc/04/83/03/598048303.db2.gz NIIBZDUDYRHPAB-CYBMUJFWSA-N 1 1 327.406 1.151 20 5 EDBDMO O=[N+]([O-])c1ccc(F)cc1Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881225279 598101150 /nfs/dbraw/zinc/10/11/50/598101150.db2.gz BXNATZZABUMNCU-UHFFFAOYSA-N 1 1 349.366 1.639 20 5 EDBDMO C[C@H]1CO[C@H](CO)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128931686 598124971 /nfs/dbraw/zinc/12/49/71/598124971.db2.gz NQJAGUGGSHPZFP-JQWIXIFHSA-N 1 1 341.339 1.144 20 5 EDBDMO C[C@H]1CO[C@H](CO)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128931686 598124972 /nfs/dbraw/zinc/12/49/72/598124972.db2.gz NQJAGUGGSHPZFP-JQWIXIFHSA-N 1 1 341.339 1.144 20 5 EDBDMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000918477015 697172113 /nfs/dbraw/zinc/17/21/13/697172113.db2.gz CDBVYHLVKFVPTH-SNVBAGLBSA-N 1 1 340.767 1.397 20 5 EDBDMO Cc1cc(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC001031562436 697252952 /nfs/dbraw/zinc/25/29/52/697252952.db2.gz RIBPNBNIQYMJOF-UHFFFAOYSA-N 1 1 329.360 1.488 20 5 EDBDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000919695838 697318102 /nfs/dbraw/zinc/31/81/02/697318102.db2.gz NUDHCJLHIVRLNZ-UHFFFAOYSA-N 1 1 340.343 1.752 20 5 EDBDMO Cc1cnn(C)c1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031908574 700889728 /nfs/dbraw/zinc/88/97/28/700889728.db2.gz FYPVETYNSTUDAO-UHFFFAOYSA-N 1 1 343.387 1.499 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000996428404 702782908 /nfs/dbraw/zinc/78/29/08/702782908.db2.gz BNVRRQDAVGHYDO-HUUCEWRRSA-N 1 1 325.409 1.049 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC000996429259 702783593 /nfs/dbraw/zinc/78/35/93/702783593.db2.gz NYGKNWHYOFMHLY-IAGOWNOFSA-N 1 1 345.399 1.463 20 5 EDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000921543717 703415703 /nfs/dbraw/zinc/41/57/03/703415703.db2.gz WTXZHIFIEUXYCO-ZDUSSCGKSA-N 1 1 338.412 1.163 20 5 EDBDMO Cn1cc(C(=O)NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)nn1 ZINC001002722993 709324471 /nfs/dbraw/zinc/32/44/71/709324471.db2.gz LSGJXNVSTKDRPD-UHFFFAOYSA-N 1 1 344.375 1.118 20 5 EDBDMO CN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccc[nH+]c21 ZINC000270693925 282957231 /nfs/dbraw/zinc/95/72/31/282957231.db2.gz YQMACFZMTJPZNH-UHFFFAOYSA-N 1 1 327.344 1.545 20 5 EDBDMO Cc1nn(C)c(-c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000347339199 282253651 /nfs/dbraw/zinc/25/36/51/282253651.db2.gz NVAKENBWRFMDDO-ZUZCIYMTSA-N 1 1 348.363 1.613 20 5 EDBDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000563385240 306331153 /nfs/dbraw/zinc/33/11/53/306331153.db2.gz SUZWTPYHMQRMMM-CYBMUJFWSA-N 1 1 347.419 1.735 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000065867848 138174772 /nfs/dbraw/zinc/17/47/72/138174772.db2.gz GLPSFFSPKHAGBR-CYBMUJFWSA-N 1 1 337.424 1.728 20 5 EDBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000109846422 138306713 /nfs/dbraw/zinc/30/67/13/138306713.db2.gz ANHNQJSSXWOXFN-HNNXBMFYSA-N 1 1 336.392 1.953 20 5 EDBDMO CO[C@@H](C)c1nc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000563805400 306347675 /nfs/dbraw/zinc/34/76/75/306347675.db2.gz GBGPUFBLIWSCHA-CABZTGNLSA-N 1 1 341.393 1.106 20 5 EDBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000188006972 236379958 /nfs/dbraw/zinc/37/99/58/236379958.db2.gz KCNHMFKPMUKKGZ-GRDNDAEWSA-N 1 1 338.404 1.817 20 5 EDBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000181370315 138767227 /nfs/dbraw/zinc/76/72/27/138767227.db2.gz FMJVFENCZUKTOY-FYCOFBDGSA-N 1 1 341.371 1.515 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000154300142 201396563 /nfs/dbraw/zinc/39/65/63/201396563.db2.gz RUJIQXDUQQELTP-NSHDSACASA-N 1 1 345.396 1.757 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000154300142 201396565 /nfs/dbraw/zinc/39/65/65/201396565.db2.gz RUJIQXDUQQELTP-NSHDSACASA-N 1 1 345.396 1.757 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000104747453 204117270 /nfs/dbraw/zinc/11/72/70/204117270.db2.gz CULUBHCEHBIFNU-GFCCVEGCSA-N 1 1 327.406 1.475 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC000104747748 204117404 /nfs/dbraw/zinc/11/74/04/204117404.db2.gz XHMGZCGHHRAKOB-ZDUSSCGKSA-N 1 1 341.433 1.784 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000194903483 139002223 /nfs/dbraw/zinc/00/22/23/139002223.db2.gz FNURXFHCUUNSHC-AWEZNQCLSA-N 1 1 335.404 1.870 20 5 EDBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111220123 220113711 /nfs/dbraw/zinc/11/37/11/220113711.db2.gz NYCONTHCZRUQOX-DGCLKSJQSA-N 1 1 346.387 1.070 20 5 EDBDMO CC(C)[N@@H+]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000161140182 206330829 /nfs/dbraw/zinc/33/08/29/206330829.db2.gz LXOIQYYWTZZNPT-HZMBPMFUSA-N 1 1 331.376 1.930 20 5 EDBDMO CC(C)[N@H+]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000161140182 206330833 /nfs/dbraw/zinc/33/08/33/206330833.db2.gz LXOIQYYWTZZNPT-HZMBPMFUSA-N 1 1 331.376 1.930 20 5 EDBDMO CC(C)[N@@H+]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000161140182 206330837 /nfs/dbraw/zinc/33/08/37/206330837.db2.gz LXOIQYYWTZZNPT-HZMBPMFUSA-N 1 1 331.376 1.930 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)n1 ZINC000162052714 206382697 /nfs/dbraw/zinc/38/26/97/206382697.db2.gz KVPYCVAZMBHLJY-LBPRGKRZSA-N 1 1 331.380 1.597 20 5 EDBDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000248157857 139158896 /nfs/dbraw/zinc/15/88/96/139158896.db2.gz RPZGDQNDQFZSHN-ZBFHGGJFSA-N 1 1 331.376 1.693 20 5 EDBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249740550 139197797 /nfs/dbraw/zinc/19/77/97/139197797.db2.gz IMOQSPYTRCWAAB-ZBFHGGJFSA-N 1 1 349.387 1.078 20 5 EDBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000425002845 252293050 /nfs/dbraw/zinc/29/30/50/252293050.db2.gz RLAQPHDXHKWDJX-UHFFFAOYSA-N 1 1 336.392 1.481 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000263815295 139362390 /nfs/dbraw/zinc/36/23/90/139362390.db2.gz YDABTHZJVAAXPY-UHFFFAOYSA-N 1 1 327.406 1.381 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000493329484 255204566 /nfs/dbraw/zinc/20/45/66/255204566.db2.gz YCPJEQMTEQYURD-HSBSLETESA-N 1 1 347.371 1.171 20 5 EDBDMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000493767573 255221261 /nfs/dbraw/zinc/22/12/61/255221261.db2.gz BFVZHAVMEXDNIO-PTZVLDCSSA-N 1 1 333.388 1.571 20 5 EDBDMO Cc1nn(CCC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1[N+](=O)[O-] ZINC000263989374 139374272 /nfs/dbraw/zinc/37/42/72/139374272.db2.gz NJNYRVPXYQTKBF-KGLIPLIRSA-N 1 1 335.408 1.541 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)CC1(C)C ZINC000270986907 140214297 /nfs/dbraw/zinc/21/42/97/140214297.db2.gz DDZIKCIJLOFTIT-UHFFFAOYSA-N 1 1 336.392 1.568 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)CC[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416387068 304313966 /nfs/dbraw/zinc/31/39/66/304313966.db2.gz IYUIUTOAKWTMRP-ZDUSSCGKSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[N@H+](C)CC[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416387068 304313967 /nfs/dbraw/zinc/31/39/67/304313967.db2.gz IYUIUTOAKWTMRP-ZDUSSCGKSA-N 1 1 341.433 1.926 20 5 EDBDMO CS(=O)(=O)[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000337505979 141606706 /nfs/dbraw/zinc/60/67/06/141606706.db2.gz FMUJTPSSYSADLU-OAHLLOKOSA-N 1 1 342.417 1.873 20 5 EDBDMO CS(=O)(=O)[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000337505979 141606708 /nfs/dbraw/zinc/60/67/08/141606708.db2.gz FMUJTPSSYSADLU-OAHLLOKOSA-N 1 1 342.417 1.873 20 5 EDBDMO CO[C@H]1C[C@H](CO)[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000344723937 143003244 /nfs/dbraw/zinc/00/32/44/143003244.db2.gz RCEQNFDZTBURIW-CABCVRRESA-N 1 1 347.371 1.874 20 5 EDBDMO O=C(N1CCCC1)[C@@]1(O)CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000344899716 143024999 /nfs/dbraw/zinc/02/49/99/143024999.db2.gz VMHBVNKOWRMNDT-QGZVFWFLSA-N 1 1 333.388 1.544 20 5 EDBDMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(CCn3cc([N+](=O)[O-])cn3)n1)OC2 ZINC000347335187 143310014 /nfs/dbraw/zinc/31/00/14/143310014.db2.gz KRICVGPWGXKSPP-SWLSCSKDSA-N 1 1 348.363 1.343 20 5 EDBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(CCn3cc([N+](=O)[O-])cn3)n1)OC2 ZINC000347335187 143310015 /nfs/dbraw/zinc/31/00/15/143310015.db2.gz KRICVGPWGXKSPP-SWLSCSKDSA-N 1 1 348.363 1.343 20 5 EDBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369709747 155143579 /nfs/dbraw/zinc/14/35/79/155143579.db2.gz HGEKRXYHBBWMKR-HNNXBMFYSA-N 1 1 343.387 1.524 20 5 EDBDMO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369739559 155156280 /nfs/dbraw/zinc/15/62/80/155156280.db2.gz CFHOOCNULPDCGH-GJZGRUSLSA-N 1 1 348.403 1.300 20 5 EDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCSCC1 ZINC000264901806 149048648 /nfs/dbraw/zinc/04/86/48/149048648.db2.gz UZPMSNQHSVLHQU-UHFFFAOYSA-N 1 1 338.433 1.485 20 5 EDBDMO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352767938 149157293 /nfs/dbraw/zinc/15/72/93/149157293.db2.gz HEPWBOMBHFJIAJ-HNNXBMFYSA-N 1 1 338.360 1.349 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(OC)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355364824 150236005 /nfs/dbraw/zinc/23/60/05/150236005.db2.gz GWUFCUHMJUMJOZ-GDBMZVCRSA-N 1 1 349.387 1.539 20 5 EDBDMO CCn1ccnc1CN1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000370003155 155276537 /nfs/dbraw/zinc/27/65/37/155276537.db2.gz XSTLBUAGVBIQKK-UHFFFAOYSA-N 1 1 347.423 1.216 20 5 EDBDMO COc1cc(OCC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000357384616 151014810 /nfs/dbraw/zinc/01/48/10/151014810.db2.gz FLPZGFYDWYYIJC-RYUDHWBXSA-N 1 1 337.376 1.581 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC000357974060 151217943 /nfs/dbraw/zinc/21/79/43/151217943.db2.gz LSCZVPQXMVIIDP-OCCSQVGLSA-N 1 1 348.403 1.982 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360560366 152095856 /nfs/dbraw/zinc/09/58/56/152095856.db2.gz FTXYSNGGDIGYNN-QGZVFWFLSA-N 1 1 332.404 1.917 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000360561847 152097349 /nfs/dbraw/zinc/09/73/49/152097349.db2.gz KEILSCNSYSVMAD-KRWDZBQOSA-N 1 1 348.403 1.617 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000360654681 152140739 /nfs/dbraw/zinc/14/07/39/152140739.db2.gz VPKJNSRUGBKCRL-VXGBXAGGSA-N 1 1 327.406 1.664 20 5 EDBDMO CCn1cc(C[N@H+](CCO)CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000361352241 152370172 /nfs/dbraw/zinc/37/01/72/152370172.db2.gz OSKZKKBCXFSSQB-UHFFFAOYSA-N 1 1 334.376 1.685 20 5 EDBDMO CCn1cc(C[N@@H+](CCO)CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000361352241 152370174 /nfs/dbraw/zinc/37/01/74/152370174.db2.gz OSKZKKBCXFSSQB-UHFFFAOYSA-N 1 1 334.376 1.685 20 5 EDBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363655421 153023773 /nfs/dbraw/zinc/02/37/73/153023773.db2.gz DNONQAYIXCJURY-MRXNPFEDSA-N 1 1 332.404 1.447 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000363930249 153099924 /nfs/dbraw/zinc/09/99/24/153099924.db2.gz QMQFBWXRXRXUGU-SMDDNHRTSA-N 1 1 325.390 1.310 20 5 EDBDMO O=C1NC[C@]2(CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000364798200 153337441 /nfs/dbraw/zinc/33/74/41/153337441.db2.gz YNMNNFYWFVKGRT-INIZCTEOSA-N 1 1 335.360 1.938 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000367582908 154185957 /nfs/dbraw/zinc/18/59/57/154185957.db2.gz QCVJIIWUCKSTBG-IUODEOHRSA-N 1 1 339.417 1.618 20 5 EDBDMO CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCN2C1=O ZINC000368019047 154372534 /nfs/dbraw/zinc/37/25/34/154372534.db2.gz JLHCJHAUGYVGTO-DOMZBBRYSA-N 1 1 346.387 1.933 20 5 EDBDMO CCN1C(=O)[C@@H]2C[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCN2C1=O ZINC000368019047 154372538 /nfs/dbraw/zinc/37/25/38/154372538.db2.gz JLHCJHAUGYVGTO-DOMZBBRYSA-N 1 1 346.387 1.933 20 5 EDBDMO Cc1c[nH+]cn1C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000372255422 156290515 /nfs/dbraw/zinc/29/05/15/156290515.db2.gz QLTNJUBFBWQONE-UHFFFAOYSA-N 1 1 332.364 1.550 20 5 EDBDMO C[N@H+]1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000372327309 156335183 /nfs/dbraw/zinc/33/51/83/156335183.db2.gz VTCPHIGCRPFTCG-ZIAGYGMSSA-N 1 1 329.360 1.005 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000373804684 157012541 /nfs/dbraw/zinc/01/25/41/157012541.db2.gz KOHMUMPNZAGOIM-RAIGVLPGSA-N 1 1 349.387 1.971 20 5 EDBDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000373804684 157012546 /nfs/dbraw/zinc/01/25/46/157012546.db2.gz KOHMUMPNZAGOIM-RAIGVLPGSA-N 1 1 349.387 1.971 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373909169 157060293 /nfs/dbraw/zinc/06/02/93/157060293.db2.gz JWYKEEUKJFUIJU-APPDUMDISA-N 1 1 349.387 1.777 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000373909169 157060294 /nfs/dbraw/zinc/06/02/94/157060294.db2.gz JWYKEEUKJFUIJU-APPDUMDISA-N 1 1 349.387 1.777 20 5 EDBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000374354382 157257638 /nfs/dbraw/zinc/25/76/38/157257638.db2.gz DZOHWFKCEPOWKX-GJZGRUSLSA-N 1 1 334.376 1.970 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000374354382 157257641 /nfs/dbraw/zinc/25/76/41/157257641.db2.gz DZOHWFKCEPOWKX-GJZGRUSLSA-N 1 1 334.376 1.970 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000374412882 157282356 /nfs/dbraw/zinc/28/23/56/157282356.db2.gz WDQZXWREGRJUIS-HUUCEWRRSA-N 1 1 345.399 1.842 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000378237518 158118140 /nfs/dbraw/zinc/11/81/40/158118140.db2.gz ZTZBQSBKBSCWRA-GFCCVEGCSA-N 1 1 335.408 1.875 20 5 EDBDMO COC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000352234468 162064163 /nfs/dbraw/zinc/06/41/63/162064163.db2.gz LBKQJKKOSHWWSK-NWDGAFQWSA-N 1 1 337.376 1.899 20 5 EDBDMO COC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000352234468 162064166 /nfs/dbraw/zinc/06/41/66/162064166.db2.gz LBKQJKKOSHWWSK-NWDGAFQWSA-N 1 1 337.376 1.899 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CCn3ncnc3C2)cccc1[N+](=O)[O-] ZINC000352260316 162081026 /nfs/dbraw/zinc/08/10/26/162081026.db2.gz VWYSDDRBACYHPI-UHFFFAOYSA-N 1 1 330.348 1.339 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCn3ncnc3C2)cccc1[N+](=O)[O-] ZINC000352260316 162081027 /nfs/dbraw/zinc/08/10/27/162081027.db2.gz VWYSDDRBACYHPI-UHFFFAOYSA-N 1 1 330.348 1.339 20 5 EDBDMO CCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000352513180 162222162 /nfs/dbraw/zinc/22/21/62/162222162.db2.gz VQXASWPJRNLRIK-CYBMUJFWSA-N 1 1 327.406 1.748 20 5 EDBDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352544413 162242563 /nfs/dbraw/zinc/24/25/63/162242563.db2.gz AILVCIKOFIWEOH-XJKSGUPXSA-N 1 1 335.404 1.756 20 5 EDBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1C(N)=O)Cc1ccc(F)cc1 ZINC000267183388 273020706 /nfs/dbraw/zinc/02/07/06/273020706.db2.gz KVUBOIDSYPGOEQ-UHFFFAOYSA-N 1 1 347.350 1.772 20 5 EDBDMO CCn1nccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273369919 268036487 /nfs/dbraw/zinc/03/64/87/268036487.db2.gz FAOHBPIAXXSCST-UHFFFAOYSA-N 1 1 338.389 1.375 20 5 EDBDMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CC[N@H+]1C[C@H](C)O ZINC000274717018 268190013 /nfs/dbraw/zinc/19/00/13/268190013.db2.gz ZXPGOVMTRFMKLM-WDEREUQCSA-N 1 1 326.372 1.598 20 5 EDBDMO COCCC[N@@H+](CCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000275405168 268337913 /nfs/dbraw/zinc/33/79/13/268337913.db2.gz FKJFTAOFFOSZJK-UHFFFAOYSA-N 1 1 328.365 1.313 20 5 EDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000275437831 268342303 /nfs/dbraw/zinc/34/23/03/268342303.db2.gz LRJNYGKXCNITNQ-CYBMUJFWSA-N 1 1 335.404 1.397 20 5 EDBDMO Cc1cc(N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)ccc1[N+](=O)[O-] ZINC000275477556 268348440 /nfs/dbraw/zinc/34/84/40/268348440.db2.gz AVZSEZREABIAOG-AWEZNQCLSA-N 1 1 342.403 1.986 20 5 EDBDMO Cc1cc(N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)ccc1[N+](=O)[O-] ZINC000275477556 268348442 /nfs/dbraw/zinc/34/84/42/268348442.db2.gz AVZSEZREABIAOG-AWEZNQCLSA-N 1 1 342.403 1.986 20 5 EDBDMO O=C(CC[N@H+]1CC[C@@]2(CNC(=O)C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278821047 268742631 /nfs/dbraw/zinc/74/26/31/268742631.db2.gz HMNILWNYTKPGLT-MRXNPFEDSA-N 1 1 332.360 1.135 20 5 EDBDMO O=[N+]([O-])c1cnc(NCCCN2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000273672098 273051443 /nfs/dbraw/zinc/05/14/43/273051443.db2.gz XVAKMTQPOZRGPY-UHFFFAOYSA-N 1 1 343.391 1.404 20 5 EDBDMO C[N@H+]1CC=C(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000273984803 273064771 /nfs/dbraw/zinc/06/47/71/273064771.db2.gz QXGRVCXMRDEAMQ-UHFFFAOYSA-N 1 1 329.353 1.274 20 5 EDBDMO C[N@@H+]1CC=C(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000273984803 273064772 /nfs/dbraw/zinc/06/47/72/273064772.db2.gz QXGRVCXMRDEAMQ-UHFFFAOYSA-N 1 1 329.353 1.274 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000275756423 273125279 /nfs/dbraw/zinc/12/52/79/273125279.db2.gz DXYSQJOAXDHKAB-LLVKDONJSA-N 1 1 338.364 1.784 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000275768960 273126990 /nfs/dbraw/zinc/12/69/90/273126990.db2.gz GTQDWEKZCKRYIJ-SNVBAGLBSA-N 1 1 339.421 1.585 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277712853 273220158 /nfs/dbraw/zinc/22/01/58/273220158.db2.gz IPEPJOXHCSUQQS-GXFFZTMASA-N 1 1 349.309 1.392 20 5 EDBDMO CS(=O)(=O)[C@@H]1CCCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000277737188 273221028 /nfs/dbraw/zinc/22/10/28/273221028.db2.gz KNACOQLREOWKKC-OAHLLOKOSA-N 1 1 342.417 1.873 20 5 EDBDMO CS(=O)(=O)[C@@H]1CCCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000277737188 273221029 /nfs/dbraw/zinc/22/10/29/273221029.db2.gz KNACOQLREOWKKC-OAHLLOKOSA-N 1 1 342.417 1.873 20 5 EDBDMO COc1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)c([N+](=O)[O-])cc1F ZINC000364272788 274096291 /nfs/dbraw/zinc/09/62/91/274096291.db2.gz RUBHBSXWDQRDSK-NSHDSACASA-N 1 1 327.356 1.635 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000284475253 274215774 /nfs/dbraw/zinc/21/57/74/274215774.db2.gz AAEOEMXUEGMETM-WCQYABFASA-N 1 1 333.396 1.557 20 5 EDBDMO C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000186738838 274327527 /nfs/dbraw/zinc/32/75/27/274327527.db2.gz MWLJCTJGPOCMOL-LLVKDONJSA-N 1 1 337.380 1.299 20 5 EDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285070311 276382124 /nfs/dbraw/zinc/38/21/24/276382124.db2.gz CNVAKXKJGORSIU-ZIAGYGMSSA-N 1 1 349.387 1.539 20 5 EDBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCC(N)=O ZINC000286527547 288027569 /nfs/dbraw/zinc/02/75/69/288027569.db2.gz RBOOENDGWHUQJP-QMMMGPOBSA-N 1 1 328.756 1.382 20 5 EDBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCC(N)=O ZINC000286527547 288027571 /nfs/dbraw/zinc/02/75/71/288027571.db2.gz RBOOENDGWHUQJP-QMMMGPOBSA-N 1 1 328.756 1.382 20 5 EDBDMO C[C@@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000271677573 278337667 /nfs/dbraw/zinc/33/76/67/278337667.db2.gz BYSVOFKOOAPSQI-CYBMUJFWSA-N 1 1 349.387 1.611 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000186036965 279263484 /nfs/dbraw/zinc/26/34/84/279263484.db2.gz LOESPZQRDDRRAT-CYBMUJFWSA-N 1 1 335.408 1.742 20 5 EDBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]2C[NH+]2CCOCC2)s1 ZINC000287025343 288140711 /nfs/dbraw/zinc/14/07/11/288140711.db2.gz VSOBUOOLOVYDPN-LLVKDONJSA-N 1 1 349.416 1.901 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000287136666 288163701 /nfs/dbraw/zinc/16/37/01/288163701.db2.gz DMKYJSNZQACFES-LLVKDONJSA-N 1 1 338.364 1.157 20 5 EDBDMO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000287202384 288179428 /nfs/dbraw/zinc/17/94/28/288179428.db2.gz DPCJWEHMHKZZIV-NEPJUHHUSA-N 1 1 339.396 1.779 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000275518271 281021291 /nfs/dbraw/zinc/02/12/91/281021291.db2.gz DPXYVFZOROSYJY-ZDUSSCGKSA-N 1 1 341.433 1.932 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000275518271 281021294 /nfs/dbraw/zinc/02/12/94/281021294.db2.gz DPXYVFZOROSYJY-ZDUSSCGKSA-N 1 1 341.433 1.932 20 5 EDBDMO Cc1nn(C)c(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000377704918 447305270 /nfs/dbraw/zinc/30/52/70/447305270.db2.gz OCVRQMGBPKNTCA-IUODEOHRSA-N 1 1 347.423 1.865 20 5 EDBDMO C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1[NH+]1CCOCC1 ZINC000287865342 288341449 /nfs/dbraw/zinc/34/14/49/288341449.db2.gz NDXZXKSHPNJPGA-JQWIXIFHSA-N 1 1 349.416 1.756 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000292138038 289270954 /nfs/dbraw/zinc/27/09/54/289270954.db2.gz MAMWQANRUBBGDN-GOSISDBHSA-N 1 1 344.415 1.512 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292231297 289295081 /nfs/dbraw/zinc/29/50/81/289295081.db2.gz IXARIFDOAJMGHK-ZDUSSCGKSA-N 1 1 349.435 1.375 20 5 EDBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000264967806 297101551 /nfs/dbraw/zinc/10/15/51/297101551.db2.gz OTCWXNLLSUISON-NEPJUHHUSA-N 1 1 339.417 1.671 20 5 EDBDMO C[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000293778040 303017584 /nfs/dbraw/zinc/01/75/84/303017584.db2.gz VUZNYTGRMZNVEI-LLVKDONJSA-N 1 1 334.376 1.642 20 5 EDBDMO COC[C@]1(C(=O)OC)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295142937 303179070 /nfs/dbraw/zinc/17/90/70/303179070.db2.gz LFXIZBSPHUPCJE-ZBFHGGJFSA-N 1 1 338.360 1.140 20 5 EDBDMO C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)C[C@H](C)[N@H+]1CCO ZINC000456218201 447335747 /nfs/dbraw/zinc/33/57/47/447335747.db2.gz YDXBPLSVYKSJGE-TXEJJXNPSA-N 1 1 346.387 1.603 20 5 EDBDMO C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)C[C@H](C)[N@@H+]1CCO ZINC000456218201 447335749 /nfs/dbraw/zinc/33/57/49/447335749.db2.gz YDXBPLSVYKSJGE-TXEJJXNPSA-N 1 1 346.387 1.603 20 5 EDBDMO COC(=O)COc1ccc(CNC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000422550463 304872153 /nfs/dbraw/zinc/87/21/53/304872153.db2.gz BEIJTKUBQLAHCO-UHFFFAOYSA-N 1 1 325.365 1.364 20 5 EDBDMO COc1ccccc1[C@@H]([NH3+])C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423824942 304910510 /nfs/dbraw/zinc/91/05/10/304910510.db2.gz KHDCONDTNXTXFU-MRXNPFEDSA-N 1 1 342.355 1.583 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000430732278 305063650 /nfs/dbraw/zinc/06/36/50/305063650.db2.gz ZMQLNRMJIGYPSL-LLVKDONJSA-N 1 1 344.375 1.491 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451555765 305353357 /nfs/dbraw/zinc/35/33/57/305353357.db2.gz CDAYKDBRXXLUNN-XHDPSFHLSA-N 1 1 337.376 1.899 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451555765 305353358 /nfs/dbraw/zinc/35/33/58/305353358.db2.gz CDAYKDBRXXLUNN-XHDPSFHLSA-N 1 1 337.376 1.899 20 5 EDBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492885400 305606605 /nfs/dbraw/zinc/60/66/05/305606605.db2.gz ZHLLHVSNYKMWSU-HCDJPTGHSA-N 1 1 345.399 1.930 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000044572032 440858597 /nfs/dbraw/zinc/85/85/97/440858597.db2.gz HAECABWVMQVUNQ-OAHLLOKOSA-N 1 1 348.403 1.315 20 5 EDBDMO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000081289540 441248831 /nfs/dbraw/zinc/24/88/31/441248831.db2.gz MXFYEYUBEPKACV-AWEZNQCLSA-N 1 1 349.435 1.907 20 5 EDBDMO C[NH+]1CCN(C(=O)C2CCN(c3ccsc3[N+](=O)[O-])CC2)CC1 ZINC000063262188 441321598 /nfs/dbraw/zinc/32/15/98/441321598.db2.gz KXQBIYXIWZVUCJ-UHFFFAOYSA-N 1 1 338.433 1.647 20 5 EDBDMO C[NH+]1CCN(CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063783740 441354081 /nfs/dbraw/zinc/35/40/81/441354081.db2.gz NWXCZTAAOAJISX-RMKNXTFCSA-N 1 1 346.431 1.752 20 5 EDBDMO COc1ccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000064334125 441373771 /nfs/dbraw/zinc/37/37/71/441373771.db2.gz CHNPVBWUQNAXOS-STQMWFEESA-N 1 1 335.360 1.196 20 5 EDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000108339690 441447946 /nfs/dbraw/zinc/44/79/46/441447946.db2.gz STZTXNNHERTPHU-CYBMUJFWSA-N 1 1 343.387 1.852 20 5 EDBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087319734 441486802 /nfs/dbraw/zinc/48/68/02/441486802.db2.gz RVSCDTMNNBIQPX-AWEZNQCLSA-N 1 1 334.420 1.280 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000075717467 441552070 /nfs/dbraw/zinc/55/20/70/441552070.db2.gz NKYSNTAMKXNTTH-CJNGLKHVSA-N 1 1 334.351 1.781 20 5 EDBDMO O=[N+]([O-])c1cc(Br)cnc1NCCC[NH+]1CCOCC1 ZINC000040713372 441630497 /nfs/dbraw/zinc/63/04/97/441630497.db2.gz FPOLWOANESKXCR-UHFFFAOYSA-N 1 1 345.197 1.887 20 5 EDBDMO CCCNC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000076665768 441671680 /nfs/dbraw/zinc/67/16/80/441671680.db2.gz RYFKWZOVLCFWNJ-UHFFFAOYSA-N 1 1 335.408 1.701 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000115586101 441761734 /nfs/dbraw/zinc/76/17/34/441761734.db2.gz FNRXHMGCGSRHFF-CYBMUJFWSA-N 1 1 341.433 1.866 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000124049525 441907082 /nfs/dbraw/zinc/90/70/82/441907082.db2.gz MTISBDRGEURGFZ-CQSZACIVSA-N 1 1 335.408 1.653 20 5 EDBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000124169513 441909185 /nfs/dbraw/zinc/90/91/85/441909185.db2.gz MYCSTFIDYOYBIR-CQSZACIVSA-N 1 1 343.387 1.912 20 5 EDBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174388824 441920418 /nfs/dbraw/zinc/92/04/18/441920418.db2.gz NCQHOQNJUKOBDK-ZDUSSCGKSA-N 1 1 349.387 1.233 20 5 EDBDMO CCOCC[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000093313799 441876598 /nfs/dbraw/zinc/87/65/98/441876598.db2.gz VGPXHXMLOIOJBR-UHFFFAOYSA-N 1 1 325.365 1.900 20 5 EDBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000144142100 441878651 /nfs/dbraw/zinc/87/86/51/441878651.db2.gz BKJQDLMIKBXXFU-ZFWWWQNUSA-N 1 1 335.404 1.958 20 5 EDBDMO O=[N+]([O-])c1c(N2CC[C@@H](C[NH+]3CCOCC3)C2)nc2sccn21 ZINC000078404049 441929772 /nfs/dbraw/zinc/92/97/72/441929772.db2.gz RDEYPGJDCXQGSF-NSHDSACASA-N 1 1 337.405 1.463 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000078405038 441929898 /nfs/dbraw/zinc/92/98/98/441929898.db2.gz BWSSCOQPXMOMLI-GFCCVEGCSA-N 1 1 336.348 1.662 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000150732820 441939355 /nfs/dbraw/zinc/93/93/55/441939355.db2.gz BAQPSAFJGBGUOP-GFCCVEGCSA-N 1 1 337.376 1.302 20 5 EDBDMO O=C(NCCC[NH+]1CCOCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000161132851 441960439 /nfs/dbraw/zinc/96/04/39/441960439.db2.gz GBHSXFSSQMEJGH-UHFFFAOYSA-N 1 1 348.403 1.385 20 5 EDBDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000078963826 441999168 /nfs/dbraw/zinc/99/91/68/441999168.db2.gz XULKNUHHUOJXKU-ZDUSSCGKSA-N 1 1 333.388 1.920 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162125800 442066179 /nfs/dbraw/zinc/06/61/79/442066179.db2.gz HITYFUYTXSRAFV-CQSZACIVSA-N 1 1 341.433 1.541 20 5 EDBDMO CC[N@@H+]1CCO[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000126071413 442075324 /nfs/dbraw/zinc/07/53/24/442075324.db2.gz QLNYXDZXZJIGRL-INIZCTEOSA-N 1 1 333.388 1.807 20 5 EDBDMO CC[N@H+]1CCO[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000126071413 442075332 /nfs/dbraw/zinc/07/53/32/442075332.db2.gz QLNYXDZXZJIGRL-INIZCTEOSA-N 1 1 333.388 1.807 20 5 EDBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221296 442195145 /nfs/dbraw/zinc/19/51/45/442195145.db2.gz BWMZIRQXKVXPSA-KGLIPLIRSA-N 1 1 337.424 1.808 20 5 EDBDMO Cc1cc(N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000127051102 442165581 /nfs/dbraw/zinc/16/55/81/442165581.db2.gz FMHWVKJLGSDSAZ-OAHLLOKOSA-N 1 1 333.436 1.905 20 5 EDBDMO CCOC(=O)c1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000153180070 442266177 /nfs/dbraw/zinc/26/61/77/442266177.db2.gz GKFBQDGSGDSSPX-HUUCEWRRSA-N 1 1 335.360 1.291 20 5 EDBDMO C[N@@H+](CCNC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000177047298 442289719 /nfs/dbraw/zinc/28/97/19/442289719.db2.gz HWBMEPXHGGPVAL-UHFFFAOYSA-N 1 1 335.339 1.179 20 5 EDBDMO CC[NH+](CC)CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000133875998 442437486 /nfs/dbraw/zinc/43/74/86/442437486.db2.gz JGOFWHQESONSQV-UHFFFAOYSA-N 1 1 333.385 1.744 20 5 EDBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000134180468 442455367 /nfs/dbraw/zinc/45/53/67/442455367.db2.gz RIMVOXBNXCPLRG-CQSZACIVSA-N 1 1 343.387 1.612 20 5 EDBDMO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000134180468 442455369 /nfs/dbraw/zinc/45/53/69/442455369.db2.gz RIMVOXBNXCPLRG-CQSZACIVSA-N 1 1 343.387 1.612 20 5 EDBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000134180468 442455371 /nfs/dbraw/zinc/45/53/71/442455371.db2.gz RIMVOXBNXCPLRG-CQSZACIVSA-N 1 1 343.387 1.612 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134258424 442462542 /nfs/dbraw/zinc/46/25/42/442462542.db2.gz UHIUHEFGHAJDRF-GFCCVEGCSA-N 1 1 325.340 1.575 20 5 EDBDMO C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000134979834 442543942 /nfs/dbraw/zinc/54/39/42/442543942.db2.gz CXCSQJSVAJCAOG-DGCLKSJQSA-N 1 1 339.417 1.522 20 5 EDBDMO C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000134979834 442543946 /nfs/dbraw/zinc/54/39/46/442543946.db2.gz CXCSQJSVAJCAOG-DGCLKSJQSA-N 1 1 339.417 1.522 20 5 EDBDMO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000135389496 442589604 /nfs/dbraw/zinc/58/96/04/442589604.db2.gz DCZFRHHTHQVORE-AWEZNQCLSA-N 1 1 342.779 1.994 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000173243581 442631441 /nfs/dbraw/zinc/63/14/41/442631441.db2.gz LUTMTXDTQVXASQ-WFASDCNBSA-N 1 1 341.433 1.697 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000192662668 442674271 /nfs/dbraw/zinc/67/42/71/442674271.db2.gz XZVWKPAKXQMVDA-GFCCVEGCSA-N 1 1 327.406 1.666 20 5 EDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000181228875 442685417 /nfs/dbraw/zinc/68/54/17/442685417.db2.gz AYIKCJCVRDNHKC-LBPRGKRZSA-N 1 1 336.392 1.144 20 5 EDBDMO Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000181369562 442693039 /nfs/dbraw/zinc/69/30/39/442693039.db2.gz BLLNMPJDXNYMEO-HNNXBMFYSA-N 1 1 329.360 1.423 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[N@H+]1C1CC1 ZINC000182350380 442759150 /nfs/dbraw/zinc/75/91/50/442759150.db2.gz TUPMCOGPHBCBIM-GXSJLCMTSA-N 1 1 333.344 1.679 20 5 EDBDMO CC[N@H+]1CCC[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000193717676 442772589 /nfs/dbraw/zinc/77/25/89/442772589.db2.gz UPPLFKKZBUNUKB-JTQLQIEISA-N 1 1 328.394 1.138 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000193946502 442817359 /nfs/dbraw/zinc/81/73/59/442817359.db2.gz KVIZXNDEGCRBCI-GFCCVEGCSA-N 1 1 348.403 1.887 20 5 EDBDMO CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246881588 442819922 /nfs/dbraw/zinc/81/99/22/442819922.db2.gz RDILJSLMHLKRRI-TZMCWYRMSA-N 1 1 348.403 1.722 20 5 EDBDMO CNC(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193989717 442825403 /nfs/dbraw/zinc/82/54/03/442825403.db2.gz XQMSWNMILJGTKX-UHFFFAOYSA-N 1 1 336.348 1.851 20 5 EDBDMO COCC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000265564600 442826016 /nfs/dbraw/zinc/82/60/16/442826016.db2.gz MPUYJIZUYZEYFW-UHFFFAOYSA-N 1 1 341.795 1.581 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@]3(CO)CCOC3)cs2)c1 ZINC000184186577 318532456 /nfs/dbraw/zinc/53/24/56/318532456.db2.gz DITNISAAJCNTDU-HNNXBMFYSA-N 1 1 335.385 1.959 20 5 EDBDMO Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000183455963 442933429 /nfs/dbraw/zinc/93/34/29/442933429.db2.gz HSWCFBKZYUCDFA-ZDUSSCGKSA-N 1 1 348.403 1.091 20 5 EDBDMO C[C@H](CO)[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](C)O ZINC000248943537 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IHVFRPQLTXWXQV-AWEZNQCLSA-N 1 1 343.387 1.641 20 5 EDBDMO Cc1c(C(=O)N[C@@H]2CCC[N@H+](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000604198955 449190717 /nfs/dbraw/zinc/19/07/17/449190717.db2.gz MTKFHHWMGZTBIE-GFCCVEGCSA-N 1 1 344.375 1.308 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC(C[NH+]3CCOCC3)C2)cc1OC(F)F ZINC000590568466 449194685 /nfs/dbraw/zinc/19/46/85/449194685.db2.gz UUYXSFCALPQYMJ-UHFFFAOYSA-N 1 1 343.330 1.965 20 5 EDBDMO C[C@@]1(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000593878754 449257457 /nfs/dbraw/zinc/25/74/57/449257457.db2.gz KUOCSWCOKUZOCU-MRXNPFEDSA-N 1 1 329.360 1.712 20 5 EDBDMO C[C@@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000593878754 449257461 /nfs/dbraw/zinc/25/74/61/449257461.db2.gz KUOCSWCOKUZOCU-MRXNPFEDSA-N 1 1 329.360 1.712 20 5 EDBDMO C[C@@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000593878754 449257468 /nfs/dbraw/zinc/25/74/68/449257468.db2.gz KUOCSWCOKUZOCU-MRXNPFEDSA-N 1 1 329.360 1.712 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](Cc2cccs2)CC1 ZINC000611560809 449338239 /nfs/dbraw/zinc/33/82/39/449338239.db2.gz CAMWDGLHFJJRMY-UHFFFAOYSA-N 1 1 335.433 1.979 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000598510244 449434559 /nfs/dbraw/zinc/43/45/59/449434559.db2.gz OUPOGCWCVZILSA-CQSZACIVSA-N 1 1 329.360 1.182 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611706535 449389200 /nfs/dbraw/zinc/38/92/00/449389200.db2.gz KIFUNLKTXCFBRF-UHFFFAOYSA-N 1 1 345.403 1.821 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000596307886 449467390 /nfs/dbraw/zinc/46/73/90/449467390.db2.gz QDITVFHNAGIWPX-JTQLQIEISA-N 1 1 342.421 1.527 20 5 EDBDMO NC(=O)c1ccnc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596558066 449551908 /nfs/dbraw/zinc/55/19/08/449551908.db2.gz MIRWBBREQSAVLA-ZDUSSCGKSA-N 1 1 341.371 1.775 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](C(F)F)C2CCCCC2)c1 ZINC000598651065 449520023 /nfs/dbraw/zinc/52/00/23/449520023.db2.gz VYGDASBWDDDSAX-STQMWFEESA-N 1 1 332.351 1.956 20 5 EDBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598780007 449596998 /nfs/dbraw/zinc/59/69/98/449596998.db2.gz NBYZJNKWHPACJJ-ZDUSSCGKSA-N 1 1 342.355 1.700 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598895903 449634070 /nfs/dbraw/zinc/63/40/70/449634070.db2.gz AMWPHZXVMMEFDJ-UHFFFAOYSA-N 1 1 346.347 1.038 20 5 EDBDMO C[C@@H](CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000598895907 449634730 /nfs/dbraw/zinc/63/47/30/449634730.db2.gz ARVXHMWWEBFVGD-NSHDSACASA-N 1 1 349.391 1.315 20 5 EDBDMO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772407 449684133 /nfs/dbraw/zinc/68/41/33/449684133.db2.gz KCOORLKDEIQCIK-NSHDSACASA-N 1 1 328.394 1.095 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772407 449684138 /nfs/dbraw/zinc/68/41/38/449684138.db2.gz KCOORLKDEIQCIK-NSHDSACASA-N 1 1 328.394 1.095 20 5 EDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000602674971 449744359 /nfs/dbraw/zinc/74/43/59/449744359.db2.gz GXUKAFLYJUURLM-AWEZNQCLSA-N 1 1 333.388 1.922 20 5 EDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599127114 449751542 /nfs/dbraw/zinc/75/15/42/449751542.db2.gz OFKNDJMNMGKZMM-GFCCVEGCSA-N 1 1 333.392 1.908 20 5 EDBDMO Cn1cc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602802980 449820492 /nfs/dbraw/zinc/82/04/92/449820492.db2.gz TWPHKVWHVNDRGF-MRXNPFEDSA-N 1 1 345.403 1.491 20 5 EDBDMO O=[N+]([O-])c1cccnc1N1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000597148355 449838248 /nfs/dbraw/zinc/83/82/48/449838248.db2.gz CCMHTLUXCLZLFH-UHFFFAOYSA-N 1 1 328.376 1.455 20 5 EDBDMO CN(C)C[C@@]1(O)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602878109 449886878 /nfs/dbraw/zinc/88/68/78/449886878.db2.gz VMTNTXGVJLNEEQ-KRWDZBQOSA-N 1 1 337.420 1.752 20 5 EDBDMO CN(C)C[C@@]1(O)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602878109 449886881 /nfs/dbraw/zinc/88/68/81/449886881.db2.gz VMTNTXGVJLNEEQ-KRWDZBQOSA-N 1 1 337.420 1.752 20 5 EDBDMO CCn1nc(C)c(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1C ZINC000602927586 449927004 /nfs/dbraw/zinc/92/70/04/449927004.db2.gz WZBHPYXCHCAWNP-UHFFFAOYSA-N 1 1 333.392 1.722 20 5 EDBDMO CCn1nc(C)c(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1C ZINC000602927586 449927011 /nfs/dbraw/zinc/92/70/11/449927011.db2.gz WZBHPYXCHCAWNP-UHFFFAOYSA-N 1 1 333.392 1.722 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000599413114 449957414 /nfs/dbraw/zinc/95/74/14/449957414.db2.gz SRZIBJHTQLSZMW-CYBMUJFWSA-N 1 1 341.433 1.913 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000601438630 449960200 /nfs/dbraw/zinc/96/02/00/449960200.db2.gz DFZHMFBXUJXXPZ-GFCCVEGCSA-N 1 1 327.406 1.700 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](O)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962808 449964465 /nfs/dbraw/zinc/96/44/65/449964465.db2.gz PCWCMIWQJTVBIM-HOTGVXAUSA-N 1 1 325.409 1.093 20 5 EDBDMO C[C@@H]1CN(CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000595286176 450001441 /nfs/dbraw/zinc/00/14/41/450001441.db2.gz DOPFRHXMLZHWPR-GASCZTMLSA-N 1 1 349.435 1.221 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000609624210 450074752 /nfs/dbraw/zinc/07/47/52/450074752.db2.gz PKTRORUBSVYWRI-UHFFFAOYSA-N 1 1 335.408 1.056 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000609624210 450074755 /nfs/dbraw/zinc/07/47/55/450074755.db2.gz PKTRORUBSVYWRI-UHFFFAOYSA-N 1 1 335.408 1.056 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000609624210 450074761 /nfs/dbraw/zinc/07/47/61/450074761.db2.gz PKTRORUBSVYWRI-UHFFFAOYSA-N 1 1 335.408 1.056 20 5 EDBDMO Cc1cc(C(=O)NCCCN2CCC[N@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000609623852 450073636 /nfs/dbraw/zinc/07/36/36/450073636.db2.gz DAZOUDXYZLUHBK-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO Cc1cc(C(=O)NCCC[N@H+]2CCCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000609623852 450073643 /nfs/dbraw/zinc/07/36/43/450073643.db2.gz DAZOUDXYZLUHBK-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO Cc1cc(C(=O)NCCC[N@@H+]2CCCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000609623852 450073649 /nfs/dbraw/zinc/07/36/49/450073649.db2.gz DAZOUDXYZLUHBK-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO C[C@]1(CO)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@]1(C)CO ZINC000599624210 450111421 /nfs/dbraw/zinc/11/14/21/450111421.db2.gz RZMIMKSKJUXYCI-IYBDPMFKSA-N 1 1 335.360 1.549 20 5 EDBDMO C[C@]1(CO)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@]1(C)CO ZINC000599624210 450111425 /nfs/dbraw/zinc/11/14/25/450111425.db2.gz RZMIMKSKJUXYCI-IYBDPMFKSA-N 1 1 335.360 1.549 20 5 EDBDMO O=C1[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000599637504 450119353 /nfs/dbraw/zinc/11/93/53/450119353.db2.gz IDRZGDHZTVTVDN-QANKJYHBSA-N 1 1 345.399 1.795 20 5 EDBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000599696044 450160002 /nfs/dbraw/zinc/16/00/02/450160002.db2.gz ZTEBVJHSCFNNCX-ZDUSSCGKSA-N 1 1 341.433 1.664 20 5 EDBDMO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1 ZINC000595551076 450226380 /nfs/dbraw/zinc/22/63/80/450226380.db2.gz UOZDEDRGBVBKEY-UHFFFAOYSA-N 1 1 348.403 1.601 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)s1 ZINC000603424445 450296004 /nfs/dbraw/zinc/29/60/04/450296004.db2.gz WEHDCMNMDKVDSD-CYBMUJFWSA-N 1 1 340.449 1.865 20 5 EDBDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000285205697 491003769 /nfs/dbraw/zinc/00/37/69/491003769.db2.gz SZDWDIWFKAYFPK-UHFFFAOYSA-N 1 1 344.375 1.712 20 5 EDBDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000131985682 536477753 /nfs/dbraw/zinc/47/77/53/536477753.db2.gz FKZLYXGAGWFUSR-VIFPVBQESA-N 1 1 338.368 1.823 20 5 EDBDMO CC1(CO)CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000186915613 528001613 /nfs/dbraw/zinc/00/16/13/528001613.db2.gz OZTAFHHROVONOJ-HNNXBMFYSA-N 1 1 333.388 1.795 20 5 EDBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCn1cc[nH+]c1C ZINC000345694790 535950189 /nfs/dbraw/zinc/95/01/89/535950189.db2.gz ICOMFELFUBVHEM-LBPRGKRZSA-N 1 1 349.395 1.149 20 5 EDBDMO COc1cc(C(=O)NCC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000271881635 536893367 /nfs/dbraw/zinc/89/33/67/536893367.db2.gz CCGZPTWTWZZJHS-UHFFFAOYSA-N 1 1 335.360 1.604 20 5 EDBDMO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000780867579 578280852 /nfs/dbraw/zinc/28/08/52/578280852.db2.gz QIRVSNFZVIIYIL-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO CC(C)[NH+]1CCN(C2CCN(Cn3nccc3[N+](=O)[O-])CC2)CC1 ZINC000760284870 580027068 /nfs/dbraw/zinc/02/70/68/580027068.db2.gz HFQAJVIOTBTKIZ-UHFFFAOYSA-N 1 1 336.440 1.239 20 5 EDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777799473 580450671 /nfs/dbraw/zinc/45/06/71/580450671.db2.gz CZMVEPCXMCUXST-VIFPVBQESA-N 1 1 333.373 1.566 20 5 EDBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000752235814 579842754 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LRNWNJSKBKKDKY-NEPJUHHUSA-N 1 1 335.360 1.337 20 5 EDBDMO Cn1cc(N2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000776276012 580413626 /nfs/dbraw/zinc/41/36/26/580413626.db2.gz FXLISCTWOXIRGP-INIZCTEOSA-N 1 1 331.376 1.184 20 5 EDBDMO C[N@H+]1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000781597944 580553110 /nfs/dbraw/zinc/55/31/10/580553110.db2.gz SAENRCMCNYTGDL-UHFFFAOYSA-N 1 1 336.348 1.600 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782626136 580580971 /nfs/dbraw/zinc/58/09/71/580580971.db2.gz ZHLHKGPUHSBPSS-BZNIZROVSA-N 1 1 335.360 1.246 20 5 EDBDMO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783566948 580601381 /nfs/dbraw/zinc/60/13/81/580601381.db2.gz VBVBVLOPHLBFDB-NSHDSACASA-N 1 1 347.824 1.749 20 5 EDBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783566948 580601382 /nfs/dbraw/zinc/60/13/82/580601382.db2.gz VBVBVLOPHLBFDB-NSHDSACASA-N 1 1 347.824 1.749 20 5 EDBDMO 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C[C@@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1CCO ZINC000840804772 594000347 /nfs/dbraw/zinc/00/03/47/594000347.db2.gz JGOAHWMSLRRWRO-TXEJJXNPSA-N 1 1 338.433 1.679 20 5 EDBDMO CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000821328625 594018541 /nfs/dbraw/zinc/01/85/41/594018541.db2.gz MAXQNFOWXYOHFG-BNOWGMLFSA-N 1 1 346.387 1.332 20 5 EDBDMO CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000821328625 594018543 /nfs/dbraw/zinc/01/85/43/594018543.db2.gz MAXQNFOWXYOHFG-BNOWGMLFSA-N 1 1 346.387 1.332 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000824724236 594062586 /nfs/dbraw/zinc/06/25/86/594062586.db2.gz NEMWPVJVPTYPKZ-OAHLLOKOSA-N 1 1 347.415 1.883 20 5 EDBDMO COC(=O)CC[C@@H]([NH3+])c1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000822861729 594112980 /nfs/dbraw/zinc/11/29/80/594112980.db2.gz DZMPPMDDBFCVDM-LLVKDONJSA-N 1 1 334.332 1.830 20 5 EDBDMO CN(C)c1cc(F)c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000825541885 594198840 /nfs/dbraw/zinc/19/88/40/594198840.db2.gz CIQAWSNFKLHHLX-SNVBAGLBSA-N 1 1 336.367 1.766 20 5 EDBDMO C[NH+]1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000827473307 594675551 /nfs/dbraw/zinc/67/55/51/594675551.db2.gz HVJZMSSZCDIZCF-UHFFFAOYSA-N 1 1 338.433 1.508 20 5 EDBDMO COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+](C)C1 ZINC000840956813 594832857 /nfs/dbraw/zinc/83/28/57/594832857.db2.gz FEMKAYBHEWVHSM-LBPRGKRZSA-N 1 1 341.795 1.785 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000837187206 595052670 /nfs/dbraw/zinc/05/26/70/595052670.db2.gz YBJGLZKVRVMBAD-HNNXBMFYSA-N 1 1 345.403 1.886 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1F ZINC000867298406 595111938 /nfs/dbraw/zinc/11/19/38/595111938.db2.gz LIWZETISNSGZNF-ZWNOBZJWSA-N 1 1 343.380 1.367 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)n2)cc1 ZINC000842623155 595146879 /nfs/dbraw/zinc/14/68/79/595146879.db2.gz SRRFWLLEKOEFAN-HIFRSBDPSA-N 1 1 329.360 1.922 20 5 EDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000860585024 595733286 /nfs/dbraw/zinc/73/32/86/595733286.db2.gz KWORXACXMGVWTK-JTQLQIEISA-N 1 1 328.756 1.436 20 5 EDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000853966292 595936608 /nfs/dbraw/zinc/93/66/08/595936608.db2.gz SDRDWIIJIYZCKA-GFCCVEGCSA-N 1 1 339.367 1.778 20 5 EDBDMO O=C(CC[N@H+]1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000852434305 596159217 /nfs/dbraw/zinc/15/92/17/596159217.db2.gz FMVLCXSSGLQLPN-LBPRGKRZSA-N 1 1 348.359 1.450 20 5 EDBDMO Cc1c[nH+]cn1CC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000859950804 596233166 /nfs/dbraw/zinc/23/31/66/596233166.db2.gz LXTDXVOLRAGCDS-UHFFFAOYSA-N 1 1 333.300 1.710 20 5 EDBDMO C[C@]([NH3+])(C(=O)N1CC[C@H]2CSC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000870980249 596427893 /nfs/dbraw/zinc/42/78/93/596427893.db2.gz NBCKHYOYSHRNSA-HWWQOWPSSA-N 1 1 335.429 1.980 20 5 EDBDMO C[C@@H]1C[C@@H](N(C)C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000867947050 596629537 /nfs/dbraw/zinc/62/95/37/596629537.db2.gz YAERLDNEXKUQAQ-HACGYAERSA-N 1 1 334.420 1.710 20 5 EDBDMO O=[N+]([O-])c1cc(CO)c(N2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000865624888 596630968 /nfs/dbraw/zinc/63/09/68/596630968.db2.gz TUWHZZGAZSGKNL-GFCCVEGCSA-N 1 1 325.340 1.137 20 5 EDBDMO Cc1nn(C)c(N2CC3(C2)C[NH+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000865999475 596753582 /nfs/dbraw/zinc/75/35/82/596753582.db2.gz BLTYFWBBNSJKDE-UHFFFAOYSA-N 1 1 327.388 1.959 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866205999 596827029 /nfs/dbraw/zinc/82/70/29/596827029.db2.gz PXHAXXKYABGXKW-DGCLKSJQSA-N 1 1 334.376 1.697 20 5 EDBDMO O=[N+]([O-])c1cc2c(ncnc2N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)s1 ZINC000872757407 597059740 /nfs/dbraw/zinc/05/97/40/597059740.db2.gz BJLUSDGHAJRNST-VHSXEESVSA-N 1 1 335.389 1.245 20 5 EDBDMO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000879686271 597686005 /nfs/dbraw/zinc/68/60/05/597686005.db2.gz XLHQCYHMUBANBJ-NSHDSACASA-N 1 1 329.360 1.568 20 5 EDBDMO CN(C(=O)C[NH+]1CCC2(CC1)COCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000880544571 597960242 /nfs/dbraw/zinc/96/02/42/597960242.db2.gz ISKDGEGEAXVJHZ-UHFFFAOYSA-N 1 1 349.387 1.439 20 5 EDBDMO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000882765743 598048860 /nfs/dbraw/zinc/04/88/60/598048860.db2.gz ISRSODPHDVRUDD-AWEZNQCLSA-N 1 1 327.406 1.151 20 5 EDBDMO CC[N@H+]1CC[C@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000882765743 598048862 /nfs/dbraw/zinc/04/88/62/598048862.db2.gz ISRSODPHDVRUDD-AWEZNQCLSA-N 1 1 327.406 1.151 20 5 EDBDMO O=[N+]([O-])c1cnc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2nn[nH]n2)c1 ZINC000738370222 598501097 /nfs/dbraw/zinc/50/10/97/598501097.db2.gz RTMYKUZFGPONSL-VIFPVBQESA-N 1 1 341.335 1.277 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000917654270 697059401 /nfs/dbraw/zinc/05/94/01/697059401.db2.gz FCMJLKBTTWIJOY-CHWSQXEVSA-N 1 1 339.417 1.808 20 5 EDBDMO Cc1cc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)n(C)n1 ZINC001031565876 697256756 /nfs/dbraw/zinc/25/67/56/697256756.db2.gz GTKNINBPLBFTCU-UHFFFAOYSA-N 1 1 343.387 1.499 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1cccc(=O)[nH]1 ZINC001031600253 697300427 /nfs/dbraw/zinc/30/04/27/697300427.db2.gz MTVHIGXOTXSHFQ-UHFFFAOYSA-N 1 1 342.355 1.557 20 5 EDBDMO O=C(NCC1C[NH+](CC2CCC(F)(F)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662540 697439485 /nfs/dbraw/zinc/43/94/85/697439485.db2.gz GYXPGORTWIGJRO-CHWSQXEVSA-N 1 1 331.363 1.525 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]CC2CC(F)(F)C2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034644176 710320132 /nfs/dbraw/zinc/32/01/32/710320132.db2.gz DINGHWILXIHNHF-FDYHWXHSSA-N 1 1 331.363 1.714 20 5 EDBDMO O=C(N[C@H]1CC[C@H](NCc2noc(C3CC3)n2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034644873 710321125 /nfs/dbraw/zinc/32/11/25/710321125.db2.gz MGYDNSAOPDJMBW-FDYHWXHSSA-N 1 1 349.391 1.129 20 5 EDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412362498 304001872 /nfs/dbraw/zinc/00/18/72/304001872.db2.gz AZMHQCQSTDEFSH-IXDOHACOSA-N 1 1 347.415 1.661 20 5 EDBDMO C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CC[NH+](C)CC1 ZINC000183336889 235015585 /nfs/dbraw/zinc/01/55/85/235015585.db2.gz DLDROXCLRCLLBR-CQSZACIVSA-N 1 1 346.431 1.722 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000025523062 202133767 /nfs/dbraw/zinc/13/37/67/202133767.db2.gz QPKWPWQRNCGIPH-LLVKDONJSA-N 1 1 334.376 1.428 20 5 EDBDMO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000090465689 138279093 /nfs/dbraw/zinc/27/90/93/138279093.db2.gz MLVPQFHDLCOISQ-CABCVRRESA-N 1 1 333.388 1.886 20 5 EDBDMO Cc1cc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000090465689 138279094 /nfs/dbraw/zinc/27/90/94/138279094.db2.gz MLVPQFHDLCOISQ-CABCVRRESA-N 1 1 333.388 1.886 20 5 EDBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000125381099 138333538 /nfs/dbraw/zinc/33/35/38/138333538.db2.gz AQZQRDWDRSVFCI-CYBMUJFWSA-N 1 1 335.408 1.657 20 5 EDBDMO Cc1cc(C(=O)NCC(=O)N(C)CC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000186736358 236001548 /nfs/dbraw/zinc/00/15/48/236001548.db2.gz FRAMONZXIPORFU-UHFFFAOYSA-N 1 1 348.403 1.186 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC000125221635 283375597 /nfs/dbraw/zinc/37/55/97/283375597.db2.gz DEUPIOZPWVAJCU-ZIAGYGMSSA-N 1 1 346.387 1.184 20 5 EDBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000190075131 238197435 /nfs/dbraw/zinc/19/74/35/238197435.db2.gz KUQIVOPCVOHVQY-UHFFFAOYSA-N 1 1 327.768 1.700 20 5 EDBDMO O=C(NCC[N@H+]1CCCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000190075131 238197439 /nfs/dbraw/zinc/19/74/39/238197439.db2.gz KUQIVOPCVOHVQY-UHFFFAOYSA-N 1 1 327.768 1.700 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000414529361 304121603 /nfs/dbraw/zinc/12/16/03/304121603.db2.gz VRIXERXJXJTXBN-WCQYABFASA-N 1 1 338.360 1.349 20 5 EDBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)CC2 ZINC000566321134 306408857 /nfs/dbraw/zinc/40/88/57/306408857.db2.gz GVUUUCNINUGDMZ-ZDUSSCGKSA-N 1 1 343.387 1.890 20 5 EDBDMO Cc1n[nH]c(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000072049647 203159565 /nfs/dbraw/zinc/15/95/65/203159565.db2.gz ZHUBKTXJSZBFGZ-UHFFFAOYSA-N 1 1 331.376 1.878 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](CCO)Cc2ccccc2)c1 ZINC000072591417 203237499 /nfs/dbraw/zinc/23/74/99/203237499.db2.gz OCLVSZKYOUOFIG-QGZVFWFLSA-N 1 1 346.383 1.829 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000104496627 204110939 /nfs/dbraw/zinc/11/09/39/204110939.db2.gz TZIYHKMICCXOOL-QWHCGFSZSA-N 1 1 348.403 1.123 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000127950994 205125377 /nfs/dbraw/zinc/12/53/77/205125377.db2.gz XXNMPQUOGUDJPM-GFCCVEGCSA-N 1 1 335.408 1.828 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000129690581 205208440 /nfs/dbraw/zinc/20/84/40/205208440.db2.gz ZMRSPYHSAQHJLP-OAHLLOKOSA-N 1 1 335.404 1.628 20 5 EDBDMO C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N@@H+](C)C1CC1 ZINC000132331956 205321663 /nfs/dbraw/zinc/32/16/63/205321663.db2.gz VKRRQHMQRVPOLT-LBPRGKRZSA-N 1 1 343.387 1.993 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000133792896 205378218 /nfs/dbraw/zinc/37/82/18/205378218.db2.gz GOQVMTYEFAYVKK-UHFFFAOYSA-N 1 1 332.360 1.451 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000245441170 139075068 /nfs/dbraw/zinc/07/50/68/139075068.db2.gz HCKXMMJYZKFFBL-OCCSQVGLSA-N 1 1 332.404 1.970 20 5 EDBDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000246456475 139109195 /nfs/dbraw/zinc/10/91/95/139109195.db2.gz JBCPYNIOOYHIPF-VQHPVUNQSA-N 1 1 336.388 1.897 20 5 EDBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000246456475 139109196 /nfs/dbraw/zinc/10/91/96/139109196.db2.gz JBCPYNIOOYHIPF-VQHPVUNQSA-N 1 1 336.388 1.897 20 5 EDBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000159940816 206272139 /nfs/dbraw/zinc/27/21/39/206272139.db2.gz JRWADCYGABLQAX-CYBMUJFWSA-N 1 1 329.360 1.712 20 5 EDBDMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000159940816 206272145 /nfs/dbraw/zinc/27/21/45/206272145.db2.gz JRWADCYGABLQAX-CYBMUJFWSA-N 1 1 329.360 1.712 20 5 EDBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000159940816 206272150 /nfs/dbraw/zinc/27/21/50/206272150.db2.gz JRWADCYGABLQAX-CYBMUJFWSA-N 1 1 329.360 1.712 20 5 EDBDMO COCC[N@@H+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000159898888 206270683 /nfs/dbraw/zinc/27/06/83/206270683.db2.gz BCIXBHGOLILRCX-NSHDSACASA-N 1 1 327.356 1.899 20 5 EDBDMO COCC[N@H+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000159898888 206270688 /nfs/dbraw/zinc/27/06/88/206270688.db2.gz BCIXBHGOLILRCX-NSHDSACASA-N 1 1 327.356 1.899 20 5 EDBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000253602695 139207422 /nfs/dbraw/zinc/20/74/22/139207422.db2.gz DWGANWANTTYVCW-TXEJJXNPSA-N 1 1 336.392 1.406 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261840846 139230601 /nfs/dbraw/zinc/23/06/01/139230601.db2.gz UJMNPUXJYAMLLD-MRXNPFEDSA-N 1 1 342.355 1.542 20 5 EDBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000174630320 207039190 /nfs/dbraw/zinc/03/91/90/207039190.db2.gz MBLOZOHPWBFNTM-NEPJUHHUSA-N 1 1 339.367 1.651 20 5 EDBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C[C@@H](C)O ZINC000174630320 207039194 /nfs/dbraw/zinc/03/91/94/207039194.db2.gz MBLOZOHPWBFNTM-NEPJUHHUSA-N 1 1 339.367 1.651 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000416307244 251062259 /nfs/dbraw/zinc/06/22/59/251062259.db2.gz KQBDKGAVMRYXEE-NWDGAFQWSA-N 1 1 339.367 1.190 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000416307244 251062264 /nfs/dbraw/zinc/06/22/64/251062264.db2.gz KQBDKGAVMRYXEE-NWDGAFQWSA-N 1 1 339.367 1.190 20 5 EDBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000175098030 207092771 /nfs/dbraw/zinc/09/27/71/207092771.db2.gz VMXGKVYOQPFRBY-UHFFFAOYSA-N 1 1 332.316 1.940 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175220586 207105801 /nfs/dbraw/zinc/10/58/01/207105801.db2.gz OXDZILLOFRULHR-VXGBXAGGSA-N 1 1 334.376 1.509 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175220586 207105804 /nfs/dbraw/zinc/10/58/04/207105804.db2.gz OXDZILLOFRULHR-VXGBXAGGSA-N 1 1 334.376 1.509 20 5 EDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000175317522 207115939 /nfs/dbraw/zinc/11/59/39/207115939.db2.gz 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O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000119674790 221373726 /nfs/dbraw/zinc/37/37/26/221373726.db2.gz CAQYHWZDMQHAQZ-CQSZACIVSA-N 1 1 331.376 1.977 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1cnccn1 ZINC000271307356 140275203 /nfs/dbraw/zinc/27/52/03/140275203.db2.gz GZFLETPYPLOMPI-LBPRGKRZSA-N 1 1 329.360 1.886 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCc1cnccn1 ZINC000271307356 140275206 /nfs/dbraw/zinc/27/52/06/140275206.db2.gz GZFLETPYPLOMPI-LBPRGKRZSA-N 1 1 329.360 1.886 20 5 EDBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271395763 140290122 /nfs/dbraw/zinc/29/01/22/140290122.db2.gz LWZSAIGRXFBMEL-ZDUSSCGKSA-N 1 1 343.387 1.675 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271395763 140290123 /nfs/dbraw/zinc/29/01/23/140290123.db2.gz LWZSAIGRXFBMEL-ZDUSSCGKSA-N 1 1 343.387 1.675 20 5 EDBDMO O=C(CC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331501516 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RLHTVCZKCNSHMK-NSHDSACASA-N 1 1 332.360 1.215 20 5 EDBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340094290 142263720 /nfs/dbraw/zinc/26/37/20/142263720.db2.gz JUWMJZXCSGJTDR-GFCCVEGCSA-N 1 1 328.372 1.972 20 5 EDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346159014 143173608 /nfs/dbraw/zinc/17/36/08/143173608.db2.gz CYFAWZLKFGYJQI-KCQAQPDRSA-N 1 1 349.435 1.715 20 5 EDBDMO CCCc1[nH]nc(C(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@H+]2C)c1[N+](=O)[O-] ZINC000346701264 143234276 /nfs/dbraw/zinc/23/42/76/143234276.db2.gz SGPIPHSAFOSMBU-WDEREUQCSA-N 1 1 339.396 1.062 20 5 EDBDMO CCCc1n[nH]c(C(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@@H+]2C)c1[N+](=O)[O-] ZINC000346701264 143234277 /nfs/dbraw/zinc/23/42/77/143234277.db2.gz SGPIPHSAFOSMBU-WDEREUQCSA-N 1 1 339.396 1.062 20 5 EDBDMO CCCc1n[nH]c(C(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@H+]2C)c1[N+](=O)[O-] ZINC000346701264 143234278 /nfs/dbraw/zinc/23/42/78/143234278.db2.gz SGPIPHSAFOSMBU-WDEREUQCSA-N 1 1 339.396 1.062 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C(N)=O)[C@H](c2cnn(C)c2)C1 ZINC000346944588 143264679 /nfs/dbraw/zinc/26/46/79/143264679.db2.gz XLXXETPHDGBPAO-RLCCDNCMSA-N 1 1 343.387 1.590 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000347713722 143353059 /nfs/dbraw/zinc/35/30/59/143353059.db2.gz CGGCTNLUHOIVCI-HOCLYGCPSA-N 1 1 331.376 1.427 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000408236771 292172111 /nfs/dbraw/zinc/17/21/11/292172111.db2.gz NTRMJRZDRXCPRQ-CHWSQXEVSA-N 1 1 341.433 1.864 20 5 EDBDMO CC[N@@H+]1CCO[C@@H](CN2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)C1 ZINC000369911414 155228163 /nfs/dbraw/zinc/22/81/63/155228163.db2.gz ACIQQLGPZXVLEB-OAHLLOKOSA-N 1 1 349.435 1.141 20 5 EDBDMO CC[N@H+]1CCO[C@@H](CN2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)C1 ZINC000369911414 155228166 /nfs/dbraw/zinc/22/81/66/155228166.db2.gz ACIQQLGPZXVLEB-OAHLLOKOSA-N 1 1 349.435 1.141 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000355321216 150215542 /nfs/dbraw/zinc/21/55/42/150215542.db2.gz UZUPHNNEVGBMJS-HOTGVXAUSA-N 1 1 349.387 1.295 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355325346 150217417 /nfs/dbraw/zinc/21/74/17/150217417.db2.gz SDGCCZIOJNGZHI-CVEARBPZSA-N 1 1 348.403 1.328 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)[C@@H]2C1 ZINC000355340392 150223738 /nfs/dbraw/zinc/22/37/38/150223738.db2.gz IORSJGNOYUPJDN-CVEARBPZSA-N 1 1 333.388 1.838 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000357385297 151014789 /nfs/dbraw/zinc/01/47/89/151014789.db2.gz FUOJWXAJYWNLIR-FZMZJTMJSA-N 1 1 349.387 1.984 20 5 EDBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000357575018 151072338 /nfs/dbraw/zinc/07/23/38/151072338.db2.gz YICXRCVFTQNIMN-JTQLQIEISA-N 1 1 330.410 1.383 20 5 EDBDMO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000360771244 152197101 /nfs/dbraw/zinc/19/71/01/152197101.db2.gz XEVXTCDKAOJSAU-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO CC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000360771244 152197102 /nfs/dbraw/zinc/19/71/02/152197102.db2.gz XEVXTCDKAOJSAU-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)nc2c1 ZINC000361263705 152348184 /nfs/dbraw/zinc/34/81/84/152348184.db2.gz XMHBKPVYFFYEDD-LBPRGKRZSA-N 1 1 341.375 1.975 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](Cn4cncn4)C3)nc2c1 ZINC000361263705 152348186 /nfs/dbraw/zinc/34/81/86/152348186.db2.gz XMHBKPVYFFYEDD-LBPRGKRZSA-N 1 1 341.375 1.975 20 5 EDBDMO O=C([C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CCCCC1 ZINC000363592752 153007678 /nfs/dbraw/zinc/00/76/78/153007678.db2.gz KYCGSQWYNCBKEC-AWEZNQCLSA-N 1 1 335.408 1.516 20 5 EDBDMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 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RMUSVZBBFVDOSS-DOMZBBRYSA-N 1 1 347.350 1.529 20 5 EDBDMO O=C([C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000367858230 154302241 /nfs/dbraw/zinc/30/22/41/154302241.db2.gz QRICAPUQAXKXEI-CQSZACIVSA-N 1 1 333.388 1.918 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000369419236 155022853 /nfs/dbraw/zinc/02/28/53/155022853.db2.gz QPMPKCGUTZVFPY-LBPRGKRZSA-N 1 1 334.376 1.442 20 5 EDBDMO COc1cc(CN2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000372012048 156209027 /nfs/dbraw/zinc/20/90/27/156209027.db2.gz VJYGTOSGZAFDAW-ZDUSSCGKSA-N 1 1 339.367 1.649 20 5 EDBDMO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000378384490 158160048 /nfs/dbraw/zinc/16/00/48/158160048.db2.gz VERNEHSONAOSGU-LBPRGKRZSA-N 1 1 333.396 1.880 20 5 EDBDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000378384490 158160051 /nfs/dbraw/zinc/16/00/51/158160051.db2.gz VERNEHSONAOSGU-LBPRGKRZSA-N 1 1 333.396 1.880 20 5 EDBDMO CN(C)S(=O)(=O)CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352543286 162242419 /nfs/dbraw/zinc/24/24/19/162242419.db2.gz CKGOOYLMOXIZMY-UHFFFAOYSA-N 1 1 329.422 1.351 20 5 EDBDMO COCC[N@@H+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000117293539 287347289 /nfs/dbraw/zinc/34/72/89/287347289.db2.gz KGPPCFAHTMPHRA-UZYOAWRESA-N 1 1 333.388 1.787 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000117293539 287347291 /nfs/dbraw/zinc/34/72/91/287347291.db2.gz KGPPCFAHTMPHRA-UZYOAWRESA-N 1 1 333.388 1.787 20 5 EDBDMO C[N@@H+](CCO)C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278443435 268660882 /nfs/dbraw/zinc/66/08/82/268660882.db2.gz QWBCTVZHIRSANC-UHFFFAOYSA-N 1 1 348.325 1.902 20 5 EDBDMO CC[NH+]1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273412479 273036989 /nfs/dbraw/zinc/03/69/89/273036989.db2.gz IBHOFEMAACKSRU-UHFFFAOYSA-N 1 1 341.433 1.442 20 5 EDBDMO CC[C@H](C(N)=O)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000273998570 273065527 /nfs/dbraw/zinc/06/55/27/273065527.db2.gz JMWCUFGOUUFYFX-CQSZACIVSA-N 1 1 346.391 1.247 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000274521816 273093079 /nfs/dbraw/zinc/09/30/79/273093079.db2.gz WWVHFCCSBTUISR-GFCCVEGCSA-N 1 1 337.380 1.941 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000275123161 273101718 /nfs/dbraw/zinc/10/17/18/273101718.db2.gz PTYIYOPNHIBRFM-JTQLQIEISA-N 1 1 326.328 1.264 20 5 EDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276207235 273152624 /nfs/dbraw/zinc/15/26/24/273152624.db2.gz JPSWFLXNUYIUKB-LLVKDONJSA-N 1 1 327.406 1.386 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCCCO ZINC000276221944 273154577 /nfs/dbraw/zinc/15/45/77/273154577.db2.gz BFBZDGWESPMLOS-LLVKDONJSA-N 1 1 325.365 1.635 20 5 EDBDMO C[N@H+](CCCCCO)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000278947633 273275014 /nfs/dbraw/zinc/27/50/14/273275014.db2.gz VHEBWCXMXWQVNA-UHFFFAOYSA-N 1 1 330.406 1.463 20 5 EDBDMO C[N@@H+](CCCCCO)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000278947633 273275016 /nfs/dbraw/zinc/27/50/16/273275016.db2.gz VHEBWCXMXWQVNA-UHFFFAOYSA-N 1 1 330.406 1.463 20 5 EDBDMO COc1cc(C[NH2+]CC2(S(C)(=O)=O)CCC2)c([N+](=O)[O-])cc1O ZINC000279768709 273325665 /nfs/dbraw/zinc/32/56/65/273325665.db2.gz JZUSQWWUOVPXES-UHFFFAOYSA-N 1 1 344.389 1.366 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC=C(c3ccccc3)C2)c1 ZINC000284746726 274315833 /nfs/dbraw/zinc/31/58/33/274315833.db2.gz LFKASSMHVIMLTQ-QGZVFWFLSA-N 1 1 328.372 1.942 20 5 EDBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC(=O)Nc4ccccc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000286456218 288010503 /nfs/dbraw/zinc/01/05/03/288010503.db2.gz KBKCRKGGEBIWRA-UKTVDESPSA-N 1 1 331.372 1.889 20 5 EDBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CC(=O)Nc4ccccc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000286456218 288010504 /nfs/dbraw/zinc/01/05/04/288010504.db2.gz KBKCRKGGEBIWRA-UKTVDESPSA-N 1 1 331.372 1.889 20 5 EDBDMO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000266502757 278373423 /nfs/dbraw/zinc/37/34/23/278373423.db2.gz VUMCLJQEWLMWAK-BXUZGUMPSA-N 1 1 329.360 1.784 20 5 EDBDMO O=C(CC[N@@H+]1CCC[C@](F)(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000286717570 288068987 /nfs/dbraw/zinc/06/89/87/288068987.db2.gz CFHXOQFSXYOKDY-OAHLLOKOSA-N 1 1 325.340 1.720 20 5 EDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000189151724 279309641 /nfs/dbraw/zinc/30/96/41/279309641.db2.gz NBTZURGZISWNGR-CHWSQXEVSA-N 1 1 341.433 1.994 20 5 EDBDMO COC(=O)c1cc(C)nc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000287169374 288171883 /nfs/dbraw/zinc/17/18/83/288171883.db2.gz GWRGXMBVTBQFKG-NWDGAFQWSA-N 1 1 334.376 1.758 20 5 EDBDMO COCCC[N@@H+](C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287268793 288196471 /nfs/dbraw/zinc/19/64/71/288196471.db2.gz LEVGLDBESHFDNU-UHFFFAOYSA-N 1 1 325.394 1.980 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000367916413 281021088 /nfs/dbraw/zinc/02/10/88/281021088.db2.gz HYTGAMKSQRDGHJ-LBPRGKRZSA-N 1 1 342.421 1.175 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000367916413 281021089 /nfs/dbraw/zinc/02/10/89/281021089.db2.gz HYTGAMKSQRDGHJ-LBPRGKRZSA-N 1 1 342.421 1.175 20 5 EDBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000291097621 289001163 /nfs/dbraw/zinc/00/11/63/289001163.db2.gz KAPDKVYIZOELPJ-ZYHUDNBSSA-N 1 1 349.416 1.899 20 5 EDBDMO Cc1nn(C)c(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000377704919 447305670 /nfs/dbraw/zinc/30/56/70/447305670.db2.gz OCVRQMGBPKNTCA-SWLSCSKDSA-N 1 1 347.423 1.865 20 5 EDBDMO CON(C)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000291896681 289208926 /nfs/dbraw/zinc/20/89/26/289208926.db2.gz QZQHWZWDELAGQZ-UHFFFAOYSA-N 1 1 325.340 1.966 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000291957412 289225860 /nfs/dbraw/zinc/22/58/60/289225860.db2.gz NYOLHYRRIVFTAY-QGZVFWFLSA-N 1 1 348.403 1.841 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2)C1 ZINC000292346143 289321925 /nfs/dbraw/zinc/32/19/25/289321925.db2.gz VDZSDEIRUAZMAF-INIZCTEOSA-N 1 1 333.344 1.491 20 5 EDBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272427543 290233541 /nfs/dbraw/zinc/23/35/41/290233541.db2.gz NOZHNCVYBZFPKU-AAEUAGOBSA-N 1 1 325.390 1.310 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272427543 290233543 /nfs/dbraw/zinc/23/35/43/290233543.db2.gz NOZHNCVYBZFPKU-AAEUAGOBSA-N 1 1 325.390 1.310 20 5 EDBDMO CC(C)[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000420582027 304769117 /nfs/dbraw/zinc/76/91/17/304769117.db2.gz GTDQJJYBXCSWKC-AWEZNQCLSA-N 1 1 336.392 1.462 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C2)C1 ZINC000293924381 303038961 /nfs/dbraw/zinc/03/89/61/303038961.db2.gz PUTOYVOTBTUKNZ-QGZVFWFLSA-N 1 1 347.371 1.340 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293972795 303046557 /nfs/dbraw/zinc/04/65/57/303046557.db2.gz UXBLCTDZFAFVDJ-JKSUJKDBSA-N 1 1 333.388 1.459 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)O)c([N+](=O)[O-])c1 ZINC000295175073 303184320 /nfs/dbraw/zinc/18/43/20/303184320.db2.gz OXNQIYBZNDWCNK-JTQLQIEISA-N 1 1 325.365 1.633 20 5 EDBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1CCO ZINC000493569197 447343749 /nfs/dbraw/zinc/34/37/49/447343749.db2.gz RYPLFNNWUPMPQT-CDNLZTBQSA-N 1 1 333.388 1.571 20 5 EDBDMO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429776636 305036718 /nfs/dbraw/zinc/03/67/18/305036718.db2.gz SYSWEAKUJQBUIS-STQMWFEESA-N 1 1 345.359 1.649 20 5 EDBDMO [NH3+]C1CCN(CCCC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000433157083 305101970 /nfs/dbraw/zinc/10/19/70/305101970.db2.gz LFLPTKCQYMMVKE-UHFFFAOYSA-N 1 1 334.420 1.457 20 5 EDBDMO C[C@H](CN1CCOCC1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000434705909 305128692 /nfs/dbraw/zinc/12/86/92/305128692.db2.gz LCDFLLPIDHKTGI-GFCCVEGCSA-N 1 1 333.392 1.624 20 5 EDBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000434705909 305128693 /nfs/dbraw/zinc/12/86/93/305128693.db2.gz LCDFLLPIDHKTGI-GFCCVEGCSA-N 1 1 333.392 1.624 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000442274274 305227839 /nfs/dbraw/zinc/22/78/39/305227839.db2.gz QPACKFBBYLUNLB-RYUDHWBXSA-N 1 1 334.376 1.393 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000442274274 305227840 /nfs/dbraw/zinc/22/78/40/305227840.db2.gz QPACKFBBYLUNLB-RYUDHWBXSA-N 1 1 334.376 1.393 20 5 EDBDMO C[C@H]([NH2+][C@H](CO)[C@@H]1CCCO1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000447912788 305288979 /nfs/dbraw/zinc/28/89/79/305288979.db2.gz HJNYIPSWBOUDMC-GDLCADMTSA-N 1 1 348.359 1.835 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000451455672 305347590 /nfs/dbraw/zinc/34/75/90/305347590.db2.gz CQOYIBOAUWRJOM-OKILXGFUSA-N 1 1 331.372 1.578 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451555762 305353319 /nfs/dbraw/zinc/35/33/19/305353319.db2.gz CDAYKDBRXXLUNN-IAQYHMDHSA-N 1 1 337.376 1.899 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451555762 305353320 /nfs/dbraw/zinc/35/33/20/305353320.db2.gz CDAYKDBRXXLUNN-IAQYHMDHSA-N 1 1 337.376 1.899 20 5 EDBDMO CC(C)(C(=O)NC[C@H]1CCCC[N@H+]1CCO)c1ccccc1[N+](=O)[O-] ZINC000452376632 305395309 /nfs/dbraw/zinc/39/53/09/305395309.db2.gz LJXVGCLRIXYNBI-CQSZACIVSA-N 1 1 349.431 1.835 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000452395420 305397866 /nfs/dbraw/zinc/39/78/66/305397866.db2.gz WPRILGUZKFUXRV-LBPRGKRZSA-N 1 1 347.375 1.048 20 5 EDBDMO CC(C)Oc1nc(N2CCN(c3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000520428032 305779720 /nfs/dbraw/zinc/77/97/20/305779720.db2.gz ITXWPIKXDKTJDL-UHFFFAOYSA-N 1 1 346.391 1.837 20 5 EDBDMO NS(=O)(=O)c1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000555883189 306206837 /nfs/dbraw/zinc/20/68/37/306206837.db2.gz IVPUGGUZUSWPLW-JTQLQIEISA-N 1 1 340.405 1.138 20 5 EDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000456360441 447374584 /nfs/dbraw/zinc/37/45/84/447374584.db2.gz VCLRVFAAMAELNJ-CQSZACIVSA-N 1 1 337.424 1.741 20 5 EDBDMO C[N@@H+]([C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCC[C@H]1O ZINC000426218546 447400902 /nfs/dbraw/zinc/40/09/02/447400902.db2.gz UDTDCLOJDPJLPC-OWCLPIDISA-N 1 1 333.388 1.935 20 5 EDBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000378497651 447436520 /nfs/dbraw/zinc/43/65/20/447436520.db2.gz OLCGYTCJCCMSEC-DGCLKSJQSA-N 1 1 327.406 1.588 20 5 EDBDMO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000378497651 447436522 /nfs/dbraw/zinc/43/65/22/447436522.db2.gz OLCGYTCJCCMSEC-DGCLKSJQSA-N 1 1 327.406 1.588 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000046036415 441072785 /nfs/dbraw/zinc/07/27/85/441072785.db2.gz WUHFXRLADBVBPI-UONOGXRCSA-N 1 1 325.390 1.500 20 5 EDBDMO O=C(CN1CC[NH+](C[C@H]2CCCO2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000072554061 441237015 /nfs/dbraw/zinc/23/70/15/441237015.db2.gz RADKPOKIGVDWNI-CQSZACIVSA-N 1 1 348.403 1.330 20 5 EDBDMO C[NH+]1CCN(CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000104253984 441191991 /nfs/dbraw/zinc/19/19/91/441191991.db2.gz IEESCDLQFYFTPL-UHFFFAOYSA-N 1 1 349.435 1.151 20 5 EDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000060510884 441249152 /nfs/dbraw/zinc/24/91/52/441249152.db2.gz LXRRYJSPBZTIJX-NSHDSACASA-N 1 1 343.405 1.366 20 5 EDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000060510884 441249158 /nfs/dbraw/zinc/24/91/58/441249158.db2.gz LXRRYJSPBZTIJX-NSHDSACASA-N 1 1 343.405 1.366 20 5 EDBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000025579305 441350056 /nfs/dbraw/zinc/35/00/56/441350056.db2.gz NZDZTULUHBMKMR-UHFFFAOYSA-N 1 1 326.784 1.871 20 5 EDBDMO Cc1c(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000051734901 441421357 /nfs/dbraw/zinc/42/13/57/441421357.db2.gz NTOKUXJJLYGIMW-AWEZNQCLSA-N 1 1 341.433 1.807 20 5 EDBDMO Cc1c(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000051734901 441421360 /nfs/dbraw/zinc/42/13/60/441421360.db2.gz NTOKUXJJLYGIMW-AWEZNQCLSA-N 1 1 341.433 1.807 20 5 EDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000107890743 441433047 /nfs/dbraw/zinc/43/30/47/441433047.db2.gz OPNVHKFFNWFBQW-LLVKDONJSA-N 1 1 335.360 1.453 20 5 EDBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108338625 441447701 /nfs/dbraw/zinc/44/77/01/441447701.db2.gz UGECQEVEBNBRGV-OLZOCXBDSA-N 1 1 348.403 1.171 20 5 EDBDMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000052590503 441462965 /nfs/dbraw/zinc/46/29/65/441462965.db2.gz KUGDOXBGIHGRLO-CQSZACIVSA-N 1 1 347.419 1.521 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000075498021 441529023 /nfs/dbraw/zinc/52/90/23/441529023.db2.gz CPLKKJJGJXUNBY-CYBMUJFWSA-N 1 1 334.376 1.781 20 5 EDBDMO CC[C@@H](C)C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000088484145 441510356 /nfs/dbraw/zinc/51/03/56/441510356.db2.gz IHISIBVXSIZLPC-CYBMUJFWSA-N 1 1 341.433 1.947 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066615101 441552045 /nfs/dbraw/zinc/55/20/45/441552045.db2.gz SLTQDVKTISEVFL-ZIAGYGMSSA-N 1 1 347.371 1.723 20 5 EDBDMO CCS[C@@H]1CCCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075739143 441552538 /nfs/dbraw/zinc/55/25/38/441552538.db2.gz VBQKJVYFUCZOQY-UONOGXRCSA-N 1 1 328.438 1.760 20 5 EDBDMO CC(C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000041934297 441686846 /nfs/dbraw/zinc/68/68/46/441686846.db2.gz HWUYZDAOEAIUBD-INIZCTEOSA-N 1 1 335.404 1.610 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000042055949 441700225 /nfs/dbraw/zinc/70/02/25/441700225.db2.gz MIAFRRHWYLQUGA-UKRRQHHQSA-N 1 1 346.387 1.585 20 5 EDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@H+]1CCc2ccccc2C1 ZINC000076652262 441670233 /nfs/dbraw/zinc/67/02/33/441670233.db2.gz CTLLYXHCBSIZST-NSHDSACASA-N 1 1 328.376 1.826 20 5 EDBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000140647372 441842375 /nfs/dbraw/zinc/84/23/75/441842375.db2.gz YUTLEQNQQDEYKU-KKUMJFAQSA-N 1 1 340.424 1.678 20 5 EDBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000141697009 441854080 /nfs/dbraw/zinc/85/40/80/441854080.db2.gz NFRWNKXRELOVGI-GFCCVEGCSA-N 1 1 329.360 1.781 20 5 EDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141697009 441854087 /nfs/dbraw/zinc/85/40/87/441854087.db2.gz NFRWNKXRELOVGI-GFCCVEGCSA-N 1 1 329.360 1.781 20 5 EDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000141697009 441854095 /nfs/dbraw/zinc/85/40/95/441854095.db2.gz NFRWNKXRELOVGI-GFCCVEGCSA-N 1 1 329.360 1.781 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117782615 441878441 /nfs/dbraw/zinc/87/84/41/441878441.db2.gz DIWOBMFVHFIKBM-UHFFFAOYSA-N 1 1 329.784 1.485 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000119425290 441934265 /nfs/dbraw/zinc/93/42/65/441934265.db2.gz LTRGFXOPGJLJPC-KGLIPLIRSA-N 1 1 333.388 1.916 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000150810259 441954757 /nfs/dbraw/zinc/95/47/57/441954757.db2.gz NPJGEEFNUWDRQX-UHFFFAOYSA-N 1 1 343.405 1.320 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000150810259 441954762 /nfs/dbraw/zinc/95/47/62/441954762.db2.gz NPJGEEFNUWDRQX-UHFFFAOYSA-N 1 1 343.405 1.320 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000120195756 442027242 /nfs/dbraw/zinc/02/72/42/442027242.db2.gz VOJPILCTAVCKQS-ZDUSSCGKSA-N 1 1 335.408 1.579 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@@H+](C)CC2)cc1C ZINC000126244207 442092034 /nfs/dbraw/zinc/09/20/34/442092034.db2.gz MRDPFYLOTLCRGY-UHFFFAOYSA-N 1 1 327.406 1.538 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@H+](C)CC2)cc1C ZINC000126244207 442092038 /nfs/dbraw/zinc/09/20/38/442092038.db2.gz MRDPFYLOTLCRGY-UHFFFAOYSA-N 1 1 327.406 1.538 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000151842646 442128606 /nfs/dbraw/zinc/12/86/06/442128606.db2.gz FNNZKZLHMCGHHN-CMPLNLGQSA-N 1 1 332.360 1.275 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152117307 442167489 /nfs/dbraw/zinc/16/74/89/442167489.db2.gz OVDZLTCIMUXYPC-LBPRGKRZSA-N 1 1 331.380 1.666 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000170886077 442283773 /nfs/dbraw/zinc/28/37/73/442283773.db2.gz FLHTUVAMVNVURJ-NSHDSACASA-N 1 1 345.421 1.612 20 5 EDBDMO CCOCC[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177054373 442291721 /nfs/dbraw/zinc/29/17/21/442291721.db2.gz LGBGHZYTXBFKQC-UHFFFAOYSA-N 1 1 334.376 1.890 20 5 EDBDMO CC(C)N1CCC[C@@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000177734931 442377873 /nfs/dbraw/zinc/37/78/73/442377873.db2.gz RXWRKRXHWXFLJT-DZGCQCFKSA-N 1 1 347.419 1.875 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000172048289 442403648 /nfs/dbraw/zinc/40/36/48/442403648.db2.gz MPDJXXUWNRLJNA-AXLMJIKWSA-N 1 1 336.388 1.427 20 5 EDBDMO C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000133906198 442439558 /nfs/dbraw/zinc/43/95/58/442439558.db2.gz FXTSATBPJCYPJO-LLVKDONJSA-N 1 1 341.795 1.946 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000191989125 442556210 /nfs/dbraw/zinc/55/62/10/442556210.db2.gz LRYPCEAKVMXUBL-ZDUSSCGKSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000191989125 442556215 /nfs/dbraw/zinc/55/62/15/442556215.db2.gz LRYPCEAKVMXUBL-ZDUSSCGKSA-N 1 1 341.433 1.926 20 5 EDBDMO COC(=O)[C@@H](O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000135351331 442584115 /nfs/dbraw/zinc/58/41/15/442584115.db2.gz LRYVYIKDPYAPQF-HNNXBMFYSA-N 1 1 349.343 1.482 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1COc2ccccc2O1 ZINC000179195676 442594438 /nfs/dbraw/zinc/59/44/38/442594438.db2.gz JAOZQJQHHSSVNF-AWEZNQCLSA-N 1 1 345.355 1.528 20 5 EDBDMO COCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000192146306 442602880 /nfs/dbraw/zinc/60/28/80/442602880.db2.gz ZQWPSWGXVSEKOM-UHFFFAOYSA-N 1 1 345.421 1.068 20 5 EDBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000192146306 442602884 /nfs/dbraw/zinc/60/28/84/442602884.db2.gz ZQWPSWGXVSEKOM-UHFFFAOYSA-N 1 1 345.421 1.068 20 5 EDBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000186741831 442604116 /nfs/dbraw/zinc/60/41/16/442604116.db2.gz TVYQYMUJLFFQRY-UHFFFAOYSA-N 1 1 342.355 1.653 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173244507 442631520 /nfs/dbraw/zinc/63/15/20/442631520.db2.gz IBBISBACNKLBAD-GWCFXTLKSA-N 1 1 345.396 1.695 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000181549644 442702942 /nfs/dbraw/zinc/70/29/42/442702942.db2.gz KMCXJCBKADFUHR-DZGCQCFKSA-N 1 1 336.388 1.835 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000180841558 442664723 /nfs/dbraw/zinc/66/47/23/442664723.db2.gz GUHNIULBRCBVAI-CYBMUJFWSA-N 1 1 349.387 1.613 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000180841558 442664724 /nfs/dbraw/zinc/66/47/24/442664724.db2.gz GUHNIULBRCBVAI-CYBMUJFWSA-N 1 1 349.387 1.613 20 5 EDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1([NH+]2CCOCC2)CCCC1 ZINC000267897389 442780876 /nfs/dbraw/zinc/78/08/76/442780876.db2.gz WXSZRWVKYWPSAU-LBPRGKRZSA-N 1 1 336.392 1.686 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265642889 442859017 /nfs/dbraw/zinc/85/90/17/442859017.db2.gz KKMDQDFCUHMHLU-CQSZACIVSA-N 1 1 334.376 1.394 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268158800 442876297 /nfs/dbraw/zinc/87/62/97/442876297.db2.gz IVGRSCCPUNINFG-QMTHXVAHSA-N 1 1 346.387 1.441 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000183149617 442890006 /nfs/dbraw/zinc/89/00/06/442890006.db2.gz PYDAATXMUOEJDS-SDDRHHMPSA-N 1 1 337.376 1.633 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000183149617 442890013 /nfs/dbraw/zinc/89/00/13/442890013.db2.gz PYDAATXMUOEJDS-SDDRHHMPSA-N 1 1 337.376 1.633 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000183250914 442911193 /nfs/dbraw/zinc/91/11/93/442911193.db2.gz HZLBDUOSAKHTOX-UHFFFAOYSA-N 1 1 327.406 1.371 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000183250914 442911198 /nfs/dbraw/zinc/91/11/98/442911198.db2.gz HZLBDUOSAKHTOX-UHFFFAOYSA-N 1 1 327.406 1.371 20 5 EDBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000268259934 442921467 /nfs/dbraw/zinc/92/14/67/442921467.db2.gz RBLKLUACWQMFKO-ZWNOBZJWSA-N 1 1 342.421 1.383 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248820769 442927154 /nfs/dbraw/zinc/92/71/54/442927154.db2.gz BLSHFDQTONJJLJ-AGKLADILSA-N 1 1 333.388 1.522 20 5 EDBDMO C[C@@H](O)C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)CO ZINC000248943534 442938784 /nfs/dbraw/zinc/93/87/84/442938784.db2.gz OJMWDQGPCLTIEG-NXEZZACHSA-N 1 1 345.783 1.250 20 5 EDBDMO C[C@@H](O)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)CO ZINC000248943534 442938786 /nfs/dbraw/zinc/93/87/86/442938786.db2.gz OJMWDQGPCLTIEG-NXEZZACHSA-N 1 1 345.783 1.250 20 5 EDBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000184173396 442999005 /nfs/dbraw/zinc/99/90/05/442999005.db2.gz SHSVHDCTYMMXIV-UHFFFAOYSA-N 1 1 348.447 1.670 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000265978506 442992056 /nfs/dbraw/zinc/99/20/56/442992056.db2.gz YFXXRMDTNSJBRX-NSHDSACASA-N 1 1 337.376 1.684 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H](O)CC(F)(F)F)C2)nc1 ZINC000189677683 442992305 /nfs/dbraw/zinc/99/23/05/442992305.db2.gz FZYVFOGFKGVPHQ-GXSJLCMTSA-N 1 1 334.298 1.789 20 5 EDBDMO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000296165180 318670091 /nfs/dbraw/zinc/67/00/91/318670091.db2.gz ZAXFALFOQHFLCW-NSHDSACASA-N 1 1 342.421 1.163 20 5 EDBDMO C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000255215260 443090707 /nfs/dbraw/zinc/09/07/07/443090707.db2.gz KNISOJUZRLEVPN-QDDHOEGMSA-N 1 1 333.388 1.833 20 5 EDBDMO CC(C)([NH3+])CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000236646623 443141817 /nfs/dbraw/zinc/14/18/17/443141817.db2.gz 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C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330459842 444990065 /nfs/dbraw/zinc/99/00/65/444990065.db2.gz ZZRIGYMMEXTZNN-CHWSQXEVSA-N 1 1 337.424 1.763 20 5 EDBDMO O=C(CC[N@@H+]1CCSC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000337329581 445034993 /nfs/dbraw/zinc/03/49/93/445034993.db2.gz ZVSVQQZHOCITDN-LLVKDONJSA-N 1 1 325.390 1.333 20 5 EDBDMO O=c1[nH]c(N[C@H]2CCn3cc[nH+]c3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000343034515 445019599 /nfs/dbraw/zinc/01/95/99/445019599.db2.gz AVAFRTVDYLKUNW-VIFPVBQESA-N 1 1 326.316 1.867 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C1 ZINC000330586156 445048742 /nfs/dbraw/zinc/04/87/42/445048742.db2.gz WILCXLYMYUHDQD-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C1 ZINC000330586156 445048744 /nfs/dbraw/zinc/04/87/44/445048744.db2.gz WILCXLYMYUHDQD-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337456274 445089597 /nfs/dbraw/zinc/08/95/97/445089597.db2.gz HYSFAUSPBRFKSX-OCCSQVGLSA-N 1 1 337.376 1.395 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000343428911 445220910 /nfs/dbraw/zinc/22/09/10/445220910.db2.gz QWCDCGPXQUCKIP-VXGBXAGGSA-N 1 1 334.376 1.393 20 5 EDBDMO CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000343559421 445243800 /nfs/dbraw/zinc/24/38/00/445243800.db2.gz UNAZQXIOJFVEAD-LSDHHAIUSA-N 1 1 335.404 1.503 20 5 EDBDMO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000343559421 445243802 /nfs/dbraw/zinc/24/38/02/445243802.db2.gz UNAZQXIOJFVEAD-LSDHHAIUSA-N 1 1 335.404 1.503 20 5 EDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000343559421 445243803 /nfs/dbraw/zinc/24/38/03/445243803.db2.gz UNAZQXIOJFVEAD-LSDHHAIUSA-N 1 1 335.404 1.503 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348353061 445265148 /nfs/dbraw/zinc/26/51/48/445265148.db2.gz ZKOGFGJPQBOTMR-CYBMUJFWSA-N 1 1 339.417 1.760 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000348353061 445265151 /nfs/dbraw/zinc/26/51/51/445265151.db2.gz ZKOGFGJPQBOTMR-CYBMUJFWSA-N 1 1 339.417 1.760 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]3C[N@@H+]3CCC[C@@H]3CO)nn21 ZINC000362408123 445364586 /nfs/dbraw/zinc/36/45/86/445364586.db2.gz RHSDDAOTMFCHGI-QWHCGFSZSA-N 1 1 346.391 1.063 20 5 EDBDMO COC(=O)C[C@@H]1CSCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000355968586 445550192 /nfs/dbraw/zinc/55/01/92/445550192.db2.gz JCDWNYPCNLROPP-CYBMUJFWSA-N 1 1 340.401 1.954 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000349799070 445680747 /nfs/dbraw/zinc/68/07/47/445680747.db2.gz KDUOZJIXDVMGAU-LBPRGKRZSA-N 1 1 329.422 1.910 20 5 EDBDMO O=c1ccc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000363448943 445808857 /nfs/dbraw/zinc/80/88/57/445808857.db2.gz HVILXOOGFJKQSP-UHFFFAOYSA-N 1 1 329.360 1.455 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000361660577 445865986 /nfs/dbraw/zinc/86/59/86/445865986.db2.gz LCRGLBNSSJTVJZ-DGCLKSJQSA-N 1 1 338.360 1.207 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2nc(CO)cs2)c1 ZINC000582905134 325955471 /nfs/dbraw/zinc/95/54/71/325955471.db2.gz COCIAFSROPMPFD-GFCCVEGCSA-N 1 1 339.373 1.073 20 5 EDBDMO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369309804 446064389 /nfs/dbraw/zinc/06/43/89/446064389.db2.gz IFOYMCUDNWKNTF-HNNXBMFYSA-N 1 1 346.431 1.694 20 5 EDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000356873349 446086023 /nfs/dbraw/zinc/08/60/23/446086023.db2.gz GZVQXOXYEOSYKW-VXGBXAGGSA-N 1 1 349.387 1.460 20 5 EDBDMO [NH3+]C1CC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000359278384 446114426 /nfs/dbraw/zinc/11/44/26/446114426.db2.gz FZKWTUJFSLISJN-UHFFFAOYSA-N 1 1 340.188 1.670 20 5 EDBDMO COc1ccc(NC(=O)CCN2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000359296488 446130545 /nfs/dbraw/zinc/13/05/45/446130545.db2.gz CYQRUXKPPYOSHF-RYUDHWBXSA-N 1 1 334.376 1.083 20 5 EDBDMO Nc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000366292030 446131453 /nfs/dbraw/zinc/13/14/53/446131453.db2.gz NZXSVDDURNPOAG-ZIAGYGMSSA-N 1 1 348.403 1.550 20 5 EDBDMO COc1cc(CCNc2cc[nH+]c(N(C)C)n2)c([N+](=O)[O-])cc1OC ZINC000354366971 446150131 /nfs/dbraw/zinc/15/01/31/446150131.db2.gz QMSDQOUKUJJPMS-UHFFFAOYSA-N 1 1 347.375 2.123 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366421584 446205730 /nfs/dbraw/zinc/20/57/30/446205730.db2.gz DRRBZEDJGUOTOD-ITGUQSILSA-N 1 1 335.360 1.102 20 5 EDBDMO COC(=O)[C@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000351611588 446206066 /nfs/dbraw/zinc/20/60/66/446206066.db2.gz RMJQDSPAHJORCE-IAQYHMDHSA-N 1 1 337.376 1.559 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000370362386 446246939 /nfs/dbraw/zinc/24/69/39/446246939.db2.gz WBMMOIHIQTWKKI-GFCCVEGCSA-N 1 1 336.417 1.562 20 5 EDBDMO Cc1[nH+]cn(-c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)c1C ZINC000362235984 446279076 /nfs/dbraw/zinc/27/90/76/446279076.db2.gz QJMWQSHIIRSYMN-UHFFFAOYSA-N 1 1 341.331 1.628 20 5 EDBDMO CC(C)S(=O)(=O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365823938 446357937 /nfs/dbraw/zinc/35/79/37/446357937.db2.gz XQEYFGLRYFHLIB-UHFFFAOYSA-N 1 1 344.437 1.642 20 5 EDBDMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411163613 446415219 /nfs/dbraw/zinc/41/52/19/446415219.db2.gz OLGDWXJAIGNBHH-JKSUJKDBSA-N 1 1 333.388 1.537 20 5 EDBDMO Cc1c(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cccc1[N+](=O)[O-] ZINC000420385306 446560587 /nfs/dbraw/zinc/56/05/87/446560587.db2.gz SRWLOZVBOWJSRL-OAHLLOKOSA-N 1 1 330.392 1.791 20 5 EDBDMO COc1ccc(NC(=O)CN2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375025770 446523045 /nfs/dbraw/zinc/52/30/45/446523045.db2.gz ZRENIFOFPPRGOK-LRDDRELGSA-N 1 1 348.403 1.568 20 5 EDBDMO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccc([N+](=O)[O-])o3)CCC[N@H+]2C)cn1 ZINC000370929988 446527386 /nfs/dbraw/zinc/52/73/86/446527386.db2.gz XRICXIWGACGPAE-ABAIWWIYSA-N 1 1 347.375 1.734 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000375034732 446529690 /nfs/dbraw/zinc/52/96/90/446529690.db2.gz DGBYYZNJXDZXFL-RHSMWYFYSA-N 1 1 344.415 1.510 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000423624603 446613758 /nfs/dbraw/zinc/61/37/58/446613758.db2.gz DIHQBTCUMGTZRL-HNNXBMFYSA-N 1 1 343.387 1.732 20 5 EDBDMO NC(=O)C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000368135579 446660761 /nfs/dbraw/zinc/66/07/61/446660761.db2.gz QSDHCJGMOQYUAE-SECBINFHSA-N 1 1 329.303 1.894 20 5 EDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000368135579 446660766 /nfs/dbraw/zinc/66/07/66/446660766.db2.gz QSDHCJGMOQYUAE-SECBINFHSA-N 1 1 329.303 1.894 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411849050 446696871 /nfs/dbraw/zinc/69/68/71/446696871.db2.gz NZJHNPHCMRFKFB-WMLDXEAASA-N 1 1 336.388 1.835 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411849050 446696880 /nfs/dbraw/zinc/69/68/80/446696880.db2.gz NZJHNPHCMRFKFB-WMLDXEAASA-N 1 1 336.388 1.835 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000453944916 446720598 /nfs/dbraw/zinc/72/05/98/446720598.db2.gz XGPACHRZSWCBIX-RISCZKNCSA-N 1 1 332.360 1.004 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000412033497 446795832 /nfs/dbraw/zinc/79/58/32/446795832.db2.gz FMLNQNCHPZSISF-LQKXBSAESA-N 1 1 336.388 1.427 20 5 EDBDMO Cc1c(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000454194271 446803931 /nfs/dbraw/zinc/80/39/31/446803931.db2.gz FQLIDSGCGAMUSE-CYBMUJFWSA-N 1 1 336.392 1.872 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368472309 446883332 /nfs/dbraw/zinc/88/33/32/446883332.db2.gz WCNQKOQCXAAUQP-XHDPSFHLSA-N 1 1 335.360 1.653 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H]3OCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368472309 446883343 /nfs/dbraw/zinc/88/33/43/446883343.db2.gz WCNQKOQCXAAUQP-XHDPSFHLSA-N 1 1 335.360 1.653 20 5 EDBDMO Nc1c(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000368544964 446934871 /nfs/dbraw/zinc/93/48/71/446934871.db2.gz STXMFQFSDMOPQA-IACUBPJLSA-N 1 1 330.388 1.733 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC12CCOCC2 ZINC000371688238 446947240 /nfs/dbraw/zinc/94/72/40/446947240.db2.gz FEZIFLDEUSXILJ-AWEZNQCLSA-N 1 1 336.388 1.980 20 5 EDBDMO [NH3+]CC[C@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000443057885 447000159 /nfs/dbraw/zinc/00/01/59/447000159.db2.gz IPHKHBHAXRLEEU-CZUORRHYSA-N 1 1 332.404 1.761 20 5 EDBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CN1 ZINC000377394220 447109372 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1.595 20 5 EDBDMO O=C(C[N@H+]1CC[C@H]2OCC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000376045773 447231700 /nfs/dbraw/zinc/23/17/00/447231700.db2.gz GTEPRCZJFNSXHG-XJKSGUPXSA-N 1 1 331.372 1.595 20 5 EDBDMO Cc1ccc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416725319 447681068 /nfs/dbraw/zinc/68/10/68/447681068.db2.gz JIWUCYNPKCHXHP-OLZOCXBDSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1ccc(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416725319 447681072 /nfs/dbraw/zinc/68/10/72/447681072.db2.gz JIWUCYNPKCHXHP-OLZOCXBDSA-N 1 1 336.392 1.822 20 5 EDBDMO CON1CCC([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000459588701 447715741 /nfs/dbraw/zinc/71/57/41/447715741.db2.gz PFYRAKYXVJABNP-UHFFFAOYSA-N 1 1 336.392 1.799 20 5 EDBDMO COCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC000489421520 447856066 /nfs/dbraw/zinc/85/60/66/447856066.db2.gz CPLSKVQUSJZQPR-BXUZGUMPSA-N 1 1 337.376 1.320 20 5 EDBDMO 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ZINC000594754537 449669608 /nfs/dbraw/zinc/66/96/08/449669608.db2.gz LWXMIRASELAORI-TXEJJXNPSA-N 1 1 342.421 1.531 20 5 EDBDMO CNC(=O)c1ccc(NC2CC([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000599094779 449728951 /nfs/dbraw/zinc/72/89/51/449728951.db2.gz MYJJMQYKEWRWJV-UHFFFAOYSA-N 1 1 334.376 1.230 20 5 EDBDMO CC1(C)CCC[N@H+]1CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594782759 449693917 /nfs/dbraw/zinc/69/39/17/449693917.db2.gz OEZGFOAHIJSNCK-UHFFFAOYSA-N 1 1 328.394 1.143 20 5 EDBDMO COC(=O)[C@@H](CC1CC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602695263 449755457 /nfs/dbraw/zinc/75/54/57/449755457.db2.gz MXNKFRILFXLJBI-OAHLLOKOSA-N 1 1 348.403 1.890 20 5 EDBDMO C[N@H+]1CCCC[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599140611 449759696 /nfs/dbraw/zinc/75/96/96/449759696.db2.gz WRURKEJBDJMDOT-NSHDSACASA-N 1 1 342.421 1.386 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000602791946 449812005 /nfs/dbraw/zinc/81/20/05/449812005.db2.gz KHXVSPBRPJNCPB-OAHLLOKOSA-N 1 1 343.387 1.837 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000602791946 449812013 /nfs/dbraw/zinc/81/20/13/449812013.db2.gz KHXVSPBRPJNCPB-OAHLLOKOSA-N 1 1 343.387 1.837 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCS(=O)(=O)N(C)C ZINC000595040288 449847142 /nfs/dbraw/zinc/84/71/42/449847142.db2.gz XEJVVCGFZXHGMD-SNVBAGLBSA-N 1 1 331.394 1.145 20 5 EDBDMO CC(C)NC(=O)c1ccc(NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599199423 449793878 /nfs/dbraw/zinc/79/38/78/449793878.db2.gz KIVVKJZETGXHPE-ZDUSSCGKSA-N 1 1 336.392 1.212 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595072087 449855067 /nfs/dbraw/zinc/85/50/67/449855067.db2.gz FDZHOZDHEFLQPK-LBPRGKRZSA-N 1 1 348.403 1.770 20 5 EDBDMO COc1cc(C[NH2+]C/C=C\CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000597186319 449861841 /nfs/dbraw/zinc/86/18/41/449861841.db2.gz HINCJPYXFZHXIL-IHWYPQMZSA-N 1 1 332.303 1.885 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601370368 449884658 /nfs/dbraw/zinc/88/46/58/449884658.db2.gz XTZDJXDBCIOFGG-GZMMTYOYSA-N 1 1 345.446 1.726 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601370368 449884663 /nfs/dbraw/zinc/88/46/63/449884663.db2.gz XTZDJXDBCIOFGG-GZMMTYOYSA-N 1 1 345.446 1.726 20 5 EDBDMO COC(=O)[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])Cc2ccccc21 ZINC000602918024 449920602 /nfs/dbraw/zinc/92/06/02/449920602.db2.gz PCJPKZRSHVIBQJ-OAHLLOKOSA-N 1 1 344.371 1.872 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])Cc2ccccc21 ZINC000602918024 449920607 /nfs/dbraw/zinc/92/06/07/449920607.db2.gz PCJPKZRSHVIBQJ-OAHLLOKOSA-N 1 1 344.371 1.872 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])s1 ZINC000601446060 449968758 /nfs/dbraw/zinc/96/87/58/449968758.db2.gz QSYVIKYGDSPUDV-SNVBAGLBSA-N 1 1 333.435 1.679 20 5 EDBDMO CC(C)[N@@H+](CCN1C(=O)CN(C)C1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000595295646 450010703 /nfs/dbraw/zinc/01/07/03/450010703.db2.gz NTQAJJBAVIHJSJ-UHFFFAOYSA-N 1 1 334.376 1.699 20 5 EDBDMO COc1cccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000618208201 450064930 /nfs/dbraw/zinc/06/49/30/450064930.db2.gz NTUWPZHIJIFNIW-UONOGXRCSA-N 1 1 349.387 1.275 20 5 EDBDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000609493349 450038533 /nfs/dbraw/zinc/03/85/33/450038533.db2.gz OFGFIJKTOYVNFK-MRXNPFEDSA-N 1 1 332.404 1.728 20 5 EDBDMO CNc1c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000597584086 450127906 /nfs/dbraw/zinc/12/79/06/450127906.db2.gz XFZKKKHEHAMPPJ-STQMWFEESA-N 1 1 336.367 1.895 20 5 EDBDMO CCOC[C@H](O)C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609893293 450113318 /nfs/dbraw/zinc/11/33/18/450113318.db2.gz ZPXUWDJMSYWWRA-CYBMUJFWSA-N 1 1 343.811 1.768 20 5 EDBDMO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595468638 450162099 /nfs/dbraw/zinc/16/20/99/450162099.db2.gz AQEZIJMSQHKHCT-HNNXBMFYSA-N 1 1 341.364 1.683 20 5 EDBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595468638 450162102 /nfs/dbraw/zinc/16/21/02/450162102.db2.gz AQEZIJMSQHKHCT-HNNXBMFYSA-N 1 1 341.364 1.683 20 5 EDBDMO COc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000597693131 450201621 /nfs/dbraw/zinc/20/16/21/450201621.db2.gz BHAWDWUDVCPVKZ-UKRRQHHQSA-N 1 1 349.387 1.539 20 5 EDBDMO C[C@@H]1C[N@H+](CCN2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000595523468 450204994 /nfs/dbraw/zinc/20/49/94/450204994.db2.gz JUMPHTGSXPEGGI-GASCZTMLSA-N 1 1 349.435 1.221 20 5 EDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c(c([N+](=O)[O-])c1)OCO3)C2 ZINC000597712037 450214855 /nfs/dbraw/zinc/21/48/55/450214855.db2.gz ZFJUEXXHVHUZNT-QGZVFWFLSA-N 1 1 347.371 1.881 20 5 EDBDMO CC[N@H+]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536193 450215639 /nfs/dbraw/zinc/21/56/39/450215639.db2.gz ONXSASACMKNGRR-LSDHHAIUSA-N 1 1 337.420 1.751 20 5 EDBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000597678627 450189334 /nfs/dbraw/zinc/18/93/34/450189334.db2.gz NCGDLXUHHLXMIU-LBPRGKRZSA-N 1 1 336.392 1.259 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)n1 ZINC000610484826 450239207 /nfs/dbraw/zinc/23/92/07/450239207.db2.gz AHUBUOMYNRHAFL-GASCZTMLSA-N 1 1 327.388 1.860 20 5 EDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599832696 450240600 /nfs/dbraw/zinc/24/06/00/450240600.db2.gz ILWHXGSSIOOSRK-MRXNPFEDSA-N 1 1 345.359 1.331 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000619786660 450334568 /nfs/dbraw/zinc/33/45/68/450334568.db2.gz CZBRHKMRNGMGBZ-AWEZNQCLSA-N 1 1 343.387 1.960 20 5 EDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)s1 ZINC000603421719 450293733 /nfs/dbraw/zinc/29/37/33/450293733.db2.gz ATDWLNAVOUCYCX-GFCCVEGCSA-N 1 1 341.437 1.260 20 5 EDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)s1 ZINC000603421719 450293738 /nfs/dbraw/zinc/29/37/38/450293738.db2.gz ATDWLNAVOUCYCX-GFCCVEGCSA-N 1 1 341.437 1.260 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)s1 ZINC000603424446 450295984 /nfs/dbraw/zinc/29/59/84/450295984.db2.gz WEHDCMNMDKVDSD-ZDUSSCGKSA-N 1 1 340.449 1.865 20 5 EDBDMO Cc1c(CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000616255473 450370591 /nfs/dbraw/zinc/37/05/91/450370591.db2.gz SUDUNBRDTWZXAM-WFASDCNBSA-N 1 1 336.392 1.422 20 5 EDBDMO Cc1c(CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000616255473 450370598 /nfs/dbraw/zinc/37/05/98/450370598.db2.gz SUDUNBRDTWZXAM-WFASDCNBSA-N 1 1 336.392 1.422 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC([N@@H+](C)CCCO)CC1 ZINC000115547156 486876214 /nfs/dbraw/zinc/87/62/14/486876214.db2.gz QSXFTLSLCAHXKV-UHFFFAOYSA-N 1 1 337.420 1.882 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000183529067 529058558 /nfs/dbraw/zinc/05/85/58/529058558.db2.gz BSDNECFRMDSYLM-CQSZACIVSA-N 1 1 341.433 1.541 20 5 EDBDMO CCOc1ccc([C@@H](C)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000271074674 535412842 /nfs/dbraw/zinc/41/28/42/535412842.db2.gz GEMFNGAQOPOBSQ-HIFRSBDPSA-N 1 1 336.436 1.890 20 5 EDBDMO CCOc1ccc([C@@H](C)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000271074674 535412844 /nfs/dbraw/zinc/41/28/44/535412844.db2.gz GEMFNGAQOPOBSQ-HIFRSBDPSA-N 1 1 336.436 1.890 20 5 EDBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCSC1 ZINC000270565470 536173478 /nfs/dbraw/zinc/17/34/78/536173478.db2.gz YXSZJSFINHUDIH-VIFPVBQESA-N 1 1 339.373 1.699 20 5 EDBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCSC1 ZINC000270565470 536173483 /nfs/dbraw/zinc/17/34/83/536173483.db2.gz YXSZJSFINHUDIH-VIFPVBQESA-N 1 1 339.373 1.699 20 5 EDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000345141001 536432756 /nfs/dbraw/zinc/43/27/56/536432756.db2.gz AITRKKXQMYHQBA-LLVKDONJSA-N 1 1 327.406 1.386 20 5 EDBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248960421 536645302 /nfs/dbraw/zinc/64/53/02/536645302.db2.gz BCCUBAKBOIHZIB-NVXWUHKLSA-N 1 1 348.403 1.342 20 5 EDBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000741147492 579399474 /nfs/dbraw/zinc/39/94/74/579399474.db2.gz JOUQHANFPKPOQN-CYBMUJFWSA-N 1 1 335.360 1.611 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000741147492 579399475 /nfs/dbraw/zinc/39/94/75/579399475.db2.gz JOUQHANFPKPOQN-CYBMUJFWSA-N 1 1 335.360 1.611 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000726165199 578335278 /nfs/dbraw/zinc/33/52/78/578335278.db2.gz WXBZQBRGYDLGOS-QWHCGFSZSA-N 1 1 344.371 1.669 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC000726965925 578504126 /nfs/dbraw/zinc/50/41/26/578504126.db2.gz SFGWJTRFGAALJP-CHWSQXEVSA-N 1 1 329.316 1.373 20 5 EDBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729497533 578577915 /nfs/dbraw/zinc/57/79/15/578577915.db2.gz PSROOJGULFVAFN-ZIAGYGMSSA-N 1 1 334.376 1.257 20 5 EDBDMO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000729921223 578599749 /nfs/dbraw/zinc/59/97/49/578599749.db2.gz SOEDSIQNPUEVMI-DZGCQCFKSA-N 1 1 345.403 1.572 20 5 EDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000729984292 578605854 /nfs/dbraw/zinc/60/58/54/578605854.db2.gz YYCPTLGEEGZSMV-WUKHSURWSA-N 1 1 333.388 1.835 20 5 EDBDMO COCC[N@H+]1CCC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000729984289 578605868 /nfs/dbraw/zinc/60/58/68/578605868.db2.gz YYCPTLGEEGZSMV-AJHXJQRKSA-N 1 1 333.388 1.835 20 5 EDBDMO Nc1ccc(N2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)c[nH+]1 ZINC000731902252 578682592 /nfs/dbraw/zinc/68/25/92/578682592.db2.gz CUTXTHTUOVIXFM-UHFFFAOYSA-N 1 1 339.359 1.546 20 5 EDBDMO Cc1nn(CCC(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000788114211 579214048 /nfs/dbraw/zinc/21/40/48/579214048.db2.gz DNNCIDKQVHRZFC-UONOGXRCSA-N 1 1 336.392 1.968 20 5 EDBDMO CC(C)c1[nH+]ccn1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000744929771 579530178 /nfs/dbraw/zinc/53/01/78/579530178.db2.gz QHJRHIFYQMVZKZ-UHFFFAOYSA-N 1 1 345.359 1.670 20 5 EDBDMO Cc1nn(CN(C)CC2CC[NH+](C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749948789 579744722 /nfs/dbraw/zinc/74/47/22/579744722.db2.gz ATKXOAFRVKJESY-UHFFFAOYSA-N 1 1 332.408 1.879 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000755920935 579938157 /nfs/dbraw/zinc/93/81/57/579938157.db2.gz JAVYODGQEZVDEP-NSHDSACASA-N 1 1 329.360 1.682 20 5 EDBDMO O=C1O[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC12CC2 ZINC000763652571 580103474 /nfs/dbraw/zinc/10/34/74/580103474.db2.gz PMPARBIMOJWEKR-CYBMUJFWSA-N 1 1 332.360 1.208 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584313 580422368 /nfs/dbraw/zinc/42/23/68/580422368.db2.gz LCDKLFPYMPURIM-KRWDZBQOSA-N 1 1 337.420 1.407 20 5 EDBDMO COc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000780867676 580535932 /nfs/dbraw/zinc/53/59/32/580535932.db2.gz SDAMAQQAGAHLIS-NSHDSACASA-N 1 1 343.405 1.366 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1(O)CCC1 ZINC000782543573 580577274 /nfs/dbraw/zinc/57/72/74/580577274.db2.gz DTKMVBRFAXTQJR-UHFFFAOYSA-N 1 1 325.340 1.909 20 5 EDBDMO COCC[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000782963699 580589359 /nfs/dbraw/zinc/58/93/59/580589359.db2.gz SJVCCFBTVHJRCE-CQSZACIVSA-N 1 1 334.376 1.948 20 5 EDBDMO COCC[N@@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000782963699 580589360 /nfs/dbraw/zinc/58/93/60/580589360.db2.gz SJVCCFBTVHJRCE-CQSZACIVSA-N 1 1 334.376 1.948 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000790450761 580770411 /nfs/dbraw/zinc/77/04/11/580770411.db2.gz AVEMRBQKALGOGO-CQSZACIVSA-N 1 1 343.387 1.907 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000790450761 580770412 /nfs/dbraw/zinc/77/04/12/580770412.db2.gz AVEMRBQKALGOGO-CQSZACIVSA-N 1 1 343.387 1.907 20 5 EDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790931722 580781541 /nfs/dbraw/zinc/78/15/41/580781541.db2.gz RACMANVQGMFVQK-CQSZACIVSA-N 1 1 345.758 1.113 20 5 EDBDMO COc1c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000793291707 580840990 /nfs/dbraw/zinc/84/09/90/580840990.db2.gz UMYZWDAKHCNBRU-NWDGAFQWSA-N 1 1 335.360 1.196 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(Cn3cc(Br)c([N+](=O)[O-])n3)C2)C1 ZINC000793746057 580854478 /nfs/dbraw/zinc/85/44/78/580854478.db2.gz PVUWJCYVMNTOGO-GFCCVEGCSA-N 1 1 344.213 1.539 20 5 EDBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000794633448 580900905 /nfs/dbraw/zinc/90/09/05/580900905.db2.gz WKOMSASRVWNWSQ-RYUDHWBXSA-N 1 1 333.344 1.961 20 5 EDBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000794633448 580900906 /nfs/dbraw/zinc/90/09/06/580900906.db2.gz WKOMSASRVWNWSQ-RYUDHWBXSA-N 1 1 333.344 1.961 20 5 EDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000794711144 580904200 /nfs/dbraw/zinc/90/42/00/580904200.db2.gz QCHHYLQSHWTDFT-HNNXBMFYSA-N 1 1 330.348 1.008 20 5 EDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893077631 590650543 /nfs/dbraw/zinc/65/05/43/590650543.db2.gz BIFWYYAESFFHHG-RYUDHWBXSA-N 1 1 330.388 1.976 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000866871504 590781078 /nfs/dbraw/zinc/78/10/78/590781078.db2.gz OCUOJMPMUANKDR-MNOVXSKESA-N 1 1 345.396 1.803 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000892202558 590862519 /nfs/dbraw/zinc/86/25/19/590862519.db2.gz NCFQUIMVOLKQQK-LSDHHAIUSA-N 1 1 348.403 1.982 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2CC)cc1OC ZINC000893872440 591123770 /nfs/dbraw/zinc/12/37/70/591123770.db2.gz SVLUAZWMUGUCNA-LLVKDONJSA-N 1 1 337.376 1.826 20 5 EDBDMO CC[N@H+]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@H]1C ZINC000892971253 591243756 /nfs/dbraw/zinc/24/37/56/591243756.db2.gz OTLWNDRDUUQDLW-GFCCVEGCSA-N 1 1 330.388 1.977 20 5 EDBDMO CO[C@@]1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000896679395 591578926 /nfs/dbraw/zinc/57/89/26/591578926.db2.gz GLJJULMWVHSBRW-CYBMUJFWSA-N 1 1 348.808 1.542 20 5 EDBDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000901350998 592344072 /nfs/dbraw/zinc/34/40/72/592344072.db2.gz NMGLJZWSUCHORL-DOMZBBRYSA-N 1 1 341.795 1.362 20 5 EDBDMO CN(C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)[C@@H]1CCC[N@@H+](C)C1 ZINC000906799360 592349724 /nfs/dbraw/zinc/34/97/24/592349724.db2.gz SXGIORRGMVTBHZ-GFCCVEGCSA-N 1 1 349.387 1.922 20 5 EDBDMO CN1CC[N@@H+](C)CC(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000906961154 592437213 /nfs/dbraw/zinc/43/72/13/592437213.db2.gz UHJNJYLZFSMLIM-UHFFFAOYSA-N 1 1 340.811 1.358 20 5 EDBDMO C[C@@H]1CN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C[C@H](C)[N@@H+]1C ZINC000840090672 593165058 /nfs/dbraw/zinc/16/50/58/593165058.db2.gz SJLVHKKRYLASQD-TXEJJXNPSA-N 1 1 347.375 1.393 20 5 EDBDMO CO[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000840121514 593205068 /nfs/dbraw/zinc/20/50/68/593205068.db2.gz AFHMCTZFRWQDQR-ZBFHGGJFSA-N 1 1 333.388 1.979 20 5 EDBDMO CO[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000840121514 593205070 /nfs/dbraw/zinc/20/50/70/593205070.db2.gz AFHMCTZFRWQDQR-ZBFHGGJFSA-N 1 1 333.388 1.979 20 5 EDBDMO O=C(COc1ccccc1[N+](=O)[O-])O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000838911052 593231221 /nfs/dbraw/zinc/23/12/21/593231221.db2.gz NJLWXXCPZQMDHN-BETUJISGSA-N 1 1 336.344 1.380 20 5 EDBDMO COc1ccc(CC(=O)O[C@@H]2CC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802237182 593237667 /nfs/dbraw/zinc/23/76/67/593237667.db2.gz ZRFRCCYWVGEAEP-GFCCVEGCSA-N 1 1 326.324 1.733 20 5 EDBDMO COc1ccc(CC(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802237182 593237669 /nfs/dbraw/zinc/23/76/69/593237669.db2.gz ZRFRCCYWVGEAEP-GFCCVEGCSA-N 1 1 326.324 1.733 20 5 EDBDMO C[C@@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@@H+]1CCO ZINC000840133010 593246784 /nfs/dbraw/zinc/24/67/84/593246784.db2.gz AEVIVUYMVBPHSC-BETUJISGSA-N 1 1 333.392 1.289 20 5 EDBDMO O=C1O[C@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CC12CC2 ZINC000839032608 593255715 /nfs/dbraw/zinc/25/57/15/593255715.db2.gz QYAUHDOPVYQYOM-LBPRGKRZSA-N 1 1 332.360 1.208 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000840155269 593314029 /nfs/dbraw/zinc/31/40/29/593314029.db2.gz WDFGEXROQXWSFN-GFCCVEGCSA-N 1 1 334.376 1.875 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804460942 593416825 /nfs/dbraw/zinc/41/68/25/593416825.db2.gz BRBYVUPHLMLWPZ-GFCCVEGCSA-N 1 1 347.419 1.563 20 5 EDBDMO CC1(C)C[NH+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000816811762 593551572 /nfs/dbraw/zinc/55/15/72/593551572.db2.gz OQWDDSFQCKKUNC-UHFFFAOYSA-N 1 1 332.404 1.585 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000816950204 593562486 /nfs/dbraw/zinc/56/24/86/593562486.db2.gz NGVDDKSYVHEISG-WFASDCNBSA-N 1 1 329.360 1.107 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)[C@@H]2C1 ZINC000816955131 593563263 /nfs/dbraw/zinc/56/32/63/593563263.db2.gz UVNFTSOKMABYMH-CXAGYDPISA-N 1 1 344.415 1.971 20 5 EDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000817490673 593607749 /nfs/dbraw/zinc/60/77/49/593607749.db2.gz IEFZGTKSAQFGAF-AWEZNQCLSA-N 1 1 331.376 1.497 20 5 EDBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H](C)O1 ZINC000820217296 593799807 /nfs/dbraw/zinc/79/98/07/593799807.db2.gz HUQTYEMEJMDTQO-TXEJJXNPSA-N 1 1 339.367 1.963 20 5 EDBDMO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000821710084 593921360 /nfs/dbraw/zinc/92/13/60/593921360.db2.gz FQDSKIWECFAEGA-RMHZUWNSSA-N 1 1 347.415 1.612 20 5 EDBDMO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000821710084 593921361 /nfs/dbraw/zinc/92/13/61/593921361.db2.gz FQDSKIWECFAEGA-RMHZUWNSSA-N 1 1 347.415 1.612 20 5 EDBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000821710085 593921501 /nfs/dbraw/zinc/92/15/01/593921501.db2.gz FQDSKIWECFAEGA-UWWPHRKUSA-N 1 1 347.415 1.612 20 5 EDBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000821710085 593921503 /nfs/dbraw/zinc/92/15/03/593921503.db2.gz FQDSKIWECFAEGA-UWWPHRKUSA-N 1 1 347.415 1.612 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821051667 593953605 /nfs/dbraw/zinc/95/36/05/593953605.db2.gz FQLMKGKAUGFQFL-GVDBMIGSSA-N 1 1 347.415 1.661 20 5 EDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC000821088098 593963172 /nfs/dbraw/zinc/96/31/72/593963172.db2.gz JPHQWBZQXMWROA-GFCCVEGCSA-N 1 1 345.407 1.943 20 5 EDBDMO Cc1[nH+]ccn1CCCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000822479266 594054961 /nfs/dbraw/zinc/05/49/61/594054961.db2.gz ZALGQNJNELTXET-UHFFFAOYSA-N 1 1 343.351 1.567 20 5 EDBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000827749128 594271273 /nfs/dbraw/zinc/27/12/73/594271273.db2.gz FDKCELCJGLSKGG-NSHDSACASA-N 1 1 325.390 1.113 20 5 EDBDMO COC(=O)Cc1ccc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000828248051 594374485 /nfs/dbraw/zinc/37/44/85/594374485.db2.gz AEAGUZZCFNIRNA-KRWDZBQOSA-N 1 1 333.388 1.842 20 5 EDBDMO CN(C)C(=O)N[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832550370 594758460 /nfs/dbraw/zinc/75/84/60/594758460.db2.gz PQVKOZMTFCIXAK-HIFRSBDPSA-N 1 1 336.392 1.364 20 5 EDBDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832550370 594758461 /nfs/dbraw/zinc/75/84/61/594758461.db2.gz PQVKOZMTFCIXAK-HIFRSBDPSA-N 1 1 336.392 1.364 20 5 EDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1cc([N+](=O)[O-])ccc1Cl ZINC000833565846 594875561 /nfs/dbraw/zinc/87/55/61/594875561.db2.gz MXPSWRULEHBTLL-GFCCVEGCSA-N 1 1 341.795 1.825 20 5 EDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000841455844 594903106 /nfs/dbraw/zinc/90/31/06/594903106.db2.gz WOLKVEZQNWPQKX-QWRGUYRKSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000841455844 594903109 /nfs/dbraw/zinc/90/31/09/594903109.db2.gz WOLKVEZQNWPQKX-QWRGUYRKSA-N 1 1 325.340 1.261 20 5 EDBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cc[n+]([O-])cc1 ZINC000842802452 595204182 /nfs/dbraw/zinc/20/41/82/595204182.db2.gz ZHDTVFXHBHTFED-INIZCTEOSA-N 1 1 343.339 1.660 20 5 EDBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cc[n+]([O-])cc1 ZINC000842802452 595204186 /nfs/dbraw/zinc/20/41/86/595204186.db2.gz ZHDTVFXHBHTFED-INIZCTEOSA-N 1 1 343.339 1.660 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000855289378 595662939 /nfs/dbraw/zinc/66/29/39/595662939.db2.gz QGBBOKUOINQFEF-ZDUSSCGKSA-N 1 1 349.387 1.775 20 5 EDBDMO CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000855360548 595685439 /nfs/dbraw/zinc/68/54/39/595685439.db2.gz HDDOZUXMDMNOBF-ZDUSSCGKSA-N 1 1 335.360 1.339 20 5 EDBDMO COc1cc(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@H+]2C)ccc1[N+](=O)[O-] ZINC000861345941 595952662 /nfs/dbraw/zinc/95/26/62/595952662.db2.gz ZMAHTWZZBKFNNQ-BLLLJJGKSA-N 1 1 338.360 1.869 20 5 EDBDMO COC(CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)OC ZINC000852093127 596040901 /nfs/dbraw/zinc/04/09/01/596040901.db2.gz CGMYVWAMMFYNHE-UHFFFAOYSA-N 1 1 337.376 1.362 20 5 EDBDMO COC(=O)c1ccnc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000856726385 596060843 /nfs/dbraw/zinc/06/08/43/596060843.db2.gz FHFWEMXGYOVCME-MNOVXSKESA-N 1 1 336.348 1.052 20 5 EDBDMO CCCC[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000112310192 596104699 /nfs/dbraw/zinc/10/46/99/596104699.db2.gz JUFSVVUSESTRII-UHFFFAOYSA-N 1 1 327.356 1.961 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000859585802 596139786 /nfs/dbraw/zinc/13/97/86/596139786.db2.gz CTUKAYKTXFSCIR-IRXDYDNUSA-N 1 1 346.387 1.136 20 5 EDBDMO CC(C)(CCC(=O)N1CCC([N@H+]2CCCOCC2)CC1)[N+](=O)[O-] ZINC000861987142 596170922 /nfs/dbraw/zinc/17/09/22/596170922.db2.gz XXZFNLUVFHEBQY-UHFFFAOYSA-N 1 1 327.425 1.535 20 5 EDBDMO CC(C)[C@H]1CN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000870982913 596429351 /nfs/dbraw/zinc/42/93/51/596429351.db2.gz OHUKVABLMRTDHV-WBVHZDCISA-N 1 1 334.420 1.567 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000867814404 596566482 /nfs/dbraw/zinc/56/64/82/596566482.db2.gz PMABPCJCBMOZMK-FZMZJTMJSA-N 1 1 325.390 1.310 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869776877 596627689 /nfs/dbraw/zinc/62/76/89/596627689.db2.gz ZNQCUOWQRXLHSC-ZDUSSCGKSA-N 1 1 335.404 1.787 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000868128945 596695996 /nfs/dbraw/zinc/69/59/96/596695996.db2.gz STBYCSAXISGLFP-ZBFHGGJFSA-N 1 1 332.404 1.873 20 5 EDBDMO O=C1O[C@@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000865918864 596721883 /nfs/dbraw/zinc/72/18/83/596721883.db2.gz RHQIORAVLXSSKV-LBPRGKRZSA-N 1 1 328.328 1.960 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000866393530 596874410 /nfs/dbraw/zinc/87/44/10/596874410.db2.gz GUJVWQRTGJRVAY-NSHDSACASA-N 1 1 345.396 1.805 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000874437658 597079015 /nfs/dbraw/zinc/07/90/15/597079015.db2.gz RLWSBNWRDKUOGR-UHFFFAOYSA-N 1 1 335.404 1.740 20 5 EDBDMO CN(CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)c1ccccc1[N+](=O)[O-] ZINC000874836360 597191440 /nfs/dbraw/zinc/19/14/40/597191440.db2.gz GEZVJZYGZYLREF-HUUCEWRRSA-N 1 1 332.404 1.726 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000874840952 597195101 /nfs/dbraw/zinc/19/51/01/597195101.db2.gz SFHAVYPIWKKLJZ-ZIAGYGMSSA-N 1 1 347.371 1.481 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000874844435 597196721 /nfs/dbraw/zinc/19/67/21/597196721.db2.gz RYTMDTGOSSSGGA-HUUCEWRRSA-N 1 1 337.351 1.808 20 5 EDBDMO O=[N+]([O-])c1ccc2oc(CNC[C@H]3C[N@H+]4CCC[C@H]4CO3)nc2c1 ZINC000877021417 597413950 /nfs/dbraw/zinc/41/39/50/597413950.db2.gz BAWXCLDFPMPVNT-STQMWFEESA-N 1 1 332.360 1.689 20 5 EDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878620044 597657631 /nfs/dbraw/zinc/65/76/31/597657631.db2.gz MEWYBYHEKXEYMF-UHFFFAOYSA-N 1 1 337.376 1.826 20 5 EDBDMO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccnn1C ZINC000879686164 597685863 /nfs/dbraw/zinc/68/58/63/597685863.db2.gz USHRUMYHLFQRKB-LLVKDONJSA-N 1 1 329.360 1.568 20 5 EDBDMO COc1ccc(C[NH+]2CCC([C@@H](F)C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000879048447 597801224 /nfs/dbraw/zinc/80/12/24/597801224.db2.gz TXSKAOFGJQPZGY-CQSZACIVSA-N 1 1 325.340 1.639 20 5 EDBDMO CC(=O)Nc1cccc2c1C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000879235243 597860852 /nfs/dbraw/zinc/86/08/52/597860852.db2.gz KVHLQQCSJYFCBQ-UHFFFAOYSA-N 1 1 329.360 1.808 20 5 EDBDMO CC(=O)Nc1cccc2c1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000879235243 597860854 /nfs/dbraw/zinc/86/08/54/597860854.db2.gz KVHLQQCSJYFCBQ-UHFFFAOYSA-N 1 1 329.360 1.808 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)COCCO2 ZINC000880541947 597959316 /nfs/dbraw/zinc/95/93/16/597959316.db2.gz PFSMKRLPNOJVCL-CYBMUJFWSA-N 1 1 349.387 1.803 20 5 EDBDMO CC[N@H+]1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000882489655 597975052 /nfs/dbraw/zinc/97/50/52/597975052.db2.gz SXKWITNZHRRWFK-LBPRGKRZSA-N 1 1 344.371 1.732 20 5 EDBDMO O=[N+]([O-])c1ccc(F)cc1Cn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000881224499 598100993 /nfs/dbraw/zinc/10/09/93/598100993.db2.gz FIVSQQNLVZRYOD-AWEZNQCLSA-N 1 1 335.339 1.330 20 5 EDBDMO O=[N+]([O-])c1ccc(F)cc1Cn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000881224499 598100996 /nfs/dbraw/zinc/10/09/96/598100996.db2.gz FIVSQQNLVZRYOD-AWEZNQCLSA-N 1 1 335.339 1.330 20 5 EDBDMO Cc1cnc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC001031525619 697210663 /nfs/dbraw/zinc/21/06/63/697210663.db2.gz ROUOOVRNAKWGTM-UHFFFAOYSA-N 1 1 341.371 1.555 20 5 EDBDMO CC[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000919125950 697246622 /nfs/dbraw/zinc/24/66/22/697246622.db2.gz DBYXDWDMDYAGQR-DOMZBBRYSA-N 1 1 336.392 1.676 20 5 EDBDMO CC[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000919125950 697246624 /nfs/dbraw/zinc/24/66/24/697246624.db2.gz DBYXDWDMDYAGQR-DOMZBBRYSA-N 1 1 336.392 1.676 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccccc2C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662368 697438513 /nfs/dbraw/zinc/43/85/13/697438513.db2.gz CPPLMNUEGDSIQR-IAGOWNOFSA-N 1 1 329.400 1.777 20 5 EDBDMO CCc1ccccc1CC[NH+]1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031663068 697440327 /nfs/dbraw/zinc/44/03/27/697440327.db2.gz QYBBUXQSVBKNCR-IAGOWNOFSA-N 1 1 331.416 1.505 20 5 EDBDMO COc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000940108183 700220582 /nfs/dbraw/zinc/22/05/82/700220582.db2.gz ZANWJGPNEOHDLB-HZPDHXFCSA-N 1 1 347.415 1.831 20 5 EDBDMO CCc1n[nH]cc1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001031806049 699418727 /nfs/dbraw/zinc/41/87/27/699418727.db2.gz KBSRPRADIASORR-UHFFFAOYSA-N 1 1 343.387 1.742 20 5 EDBDMO Cc1cc(F)ccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996430026 702783892 /nfs/dbraw/zinc/78/38/92/702783892.db2.gz YOFBDGPEZVTJOG-HZPDHXFCSA-N 1 1 335.379 1.880 20 5 EDBDMO Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)no1 ZINC000946589419 704158787 /nfs/dbraw/zinc/15/87/87/704158787.db2.gz YBXPQYYRSGGRIU-OCVGTWLNSA-N 1 1 348.403 1.319 20 5 EDBDMO Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)no1 ZINC000946589419 704158789 /nfs/dbraw/zinc/15/87/89/704158789.db2.gz YBXPQYYRSGGRIU-OCVGTWLNSA-N 1 1 348.403 1.319 20 5 EDBDMO Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)no1 ZINC000946589419 704158791 /nfs/dbraw/zinc/15/87/91/704158791.db2.gz YBXPQYYRSGGRIU-OCVGTWLNSA-N 1 1 348.403 1.319 20 5 EDBDMO CC[N@H+]1CC[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000412837549 304039621 /nfs/dbraw/zinc/03/96/21/304039621.db2.gz JYLNYHQDYLKGSZ-GFCCVEGCSA-N 1 1 335.360 1.119 20 5 EDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090463872 138278988 /nfs/dbraw/zinc/27/89/88/138278988.db2.gz PAEZFPZYEAUMHO-PWHGLLLSSA-N 1 1 345.399 1.978 20 5 EDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090463872 138278989 /nfs/dbraw/zinc/27/89/89/138278989.db2.gz PAEZFPZYEAUMHO-PWHGLLLSSA-N 1 1 345.399 1.978 20 5 EDBDMO Cc1ccnc(NCC2([NH+]3CCOCC3)CCOCC2)c1[N+](=O)[O-] ZINC000413400187 304060016 /nfs/dbraw/zinc/06/00/16/304060016.db2.gz KHDDADYPXXYNPY-UHFFFAOYSA-N 1 1 336.392 1.592 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186887564 236054447 /nfs/dbraw/zinc/05/44/47/236054447.db2.gz YLTKMVAHYQSTLS-ZDUSSCGKSA-N 1 1 335.404 1.441 20 5 EDBDMO COC(=O)[C@@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413898351 304085685 /nfs/dbraw/zinc/08/56/85/304085685.db2.gz IMCBONCINJBEND-LBPRGKRZSA-N 1 1 335.360 1.080 20 5 EDBDMO COC(=O)[C@@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413898351 304085686 /nfs/dbraw/zinc/08/56/86/304085686.db2.gz IMCBONCINJBEND-LBPRGKRZSA-N 1 1 335.360 1.080 20 5 EDBDMO CC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000414006488 304094316 /nfs/dbraw/zinc/09/43/16/304094316.db2.gz PXGVUFPDGPPRIT-LLVKDONJSA-N 1 1 339.417 1.503 20 5 EDBDMO COc1ccc(NC(=O)CCN2CC[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000565157904 306376353 /nfs/dbraw/zinc/37/63/53/306376353.db2.gz QTTRWKRCOBPXPY-RYUDHWBXSA-N 1 1 336.392 1.744 20 5 EDBDMO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000065534062 201156595 /nfs/dbraw/zinc/15/65/95/201156595.db2.gz UAFBJDDSUQGPNE-AWEZNQCLSA-N 1 1 342.417 1.873 20 5 EDBDMO CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000065534062 201156599 /nfs/dbraw/zinc/15/65/99/201156599.db2.gz UAFBJDDSUQGPNE-AWEZNQCLSA-N 1 1 342.417 1.873 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C)CC2)cc1OC ZINC000096952892 201377839 /nfs/dbraw/zinc/37/78/39/201377839.db2.gz UOFALMULNIITNX-UHFFFAOYSA-N 1 1 337.376 1.780 20 5 EDBDMO CC(C)OCC[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000074391673 203287317 /nfs/dbraw/zinc/28/73/17/203287317.db2.gz PCSMCKFGPQWWFR-UHFFFAOYSA-N 1 1 335.404 1.707 20 5 EDBDMO C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000076576118 203358270 /nfs/dbraw/zinc/35/82/70/203358270.db2.gz HMDYPEOHOKOUBO-AGUYFDCRSA-N 1 1 346.387 1.665 20 5 EDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000107888853 204250375 /nfs/dbraw/zinc/25/03/75/204250375.db2.gz JOHZZBFKGZOGSF-LLVKDONJSA-N 1 1 336.348 1.883 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000111267010 204346305 /nfs/dbraw/zinc/34/63/05/204346305.db2.gz WUADFGZFBRAQIH-STQMWFEESA-N 1 1 348.403 1.688 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000111267010 204346309 /nfs/dbraw/zinc/34/63/09/204346309.db2.gz WUADFGZFBRAQIH-STQMWFEESA-N 1 1 348.403 1.688 20 5 EDBDMO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000111352609 204352951 /nfs/dbraw/zinc/35/29/51/204352951.db2.gz KFXKPHXPBXHSDY-LLVKDONJSA-N 1 1 345.396 1.887 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000111352609 204352955 /nfs/dbraw/zinc/35/29/55/204352955.db2.gz KFXKPHXPBXHSDY-LLVKDONJSA-N 1 1 345.396 1.887 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000111352912 220143584 /nfs/dbraw/zinc/14/35/84/220143584.db2.gz CGCVFSCIPHGWJZ-GFCCVEGCSA-N 1 1 345.396 1.887 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000156724738 206096026 /nfs/dbraw/zinc/09/60/26/206096026.db2.gz GHIMMAFSRUFSQQ-LLVKDONJSA-N 1 1 341.795 1.777 20 5 EDBDMO Cc1nc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)sc1C ZINC000157460211 206136539 /nfs/dbraw/zinc/13/65/39/206136539.db2.gz FQBQEBPQDDPLNF-UHFFFAOYSA-N 1 1 336.421 1.687 20 5 EDBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157790917 206156669 /nfs/dbraw/zinc/15/66/69/206156669.db2.gz YPHHADPLGOTKIO-KBPBESRZSA-N 1 1 337.424 1.808 20 5 EDBDMO C[N@H+]1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000248128964 139158462 /nfs/dbraw/zinc/15/84/62/139158462.db2.gz WCVFHVVWSJZHNX-DOTOQJQBSA-N 1 1 343.387 1.743 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249191621 139188961 /nfs/dbraw/zinc/18/89/61/139188961.db2.gz PIJCEABCCCGGDY-WFASDCNBSA-N 1 1 348.403 1.722 20 5 EDBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000261673194 139216224 /nfs/dbraw/zinc/21/62/24/139216224.db2.gz GPMGHDWJLZLBMY-ZDUSSCGKSA-N 1 1 349.778 1.768 20 5 EDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261794802 139226742 /nfs/dbraw/zinc/22/67/42/139226742.db2.gz UZEQVMZVTMIFMY-CQSZACIVSA-N 1 1 329.360 1.044 20 5 EDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174724848 207050054 /nfs/dbraw/zinc/05/00/54/207050054.db2.gz XWRBJNAJMSSOOD-CYBMUJFWSA-N 1 1 335.320 1.192 20 5 EDBDMO O=C(NC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCC[NH2+]1 ZINC000262179455 139257741 /nfs/dbraw/zinc/25/77/41/139257741.db2.gz INAMCGZNTRQRCL-NVXWUHKLSA-N 1 1 346.431 1.675 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000175797684 207161952 /nfs/dbraw/zinc/16/19/52/207161952.db2.gz NWOMFHBWJBYZBX-GFCCVEGCSA-N 1 1 336.392 1.264 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2noc(N3CC[N@@H+]4CCOC[C@H]4C3)n2)cc1 ZINC000347861885 285106869 /nfs/dbraw/zinc/10/68/69/285106869.db2.gz LBXFHIRUQQPVFS-CYBMUJFWSA-N 1 1 331.332 1.166 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2noc(N3CC[N@H+]4CCOC[C@H]4C3)n2)cc1 ZINC000347861885 285106870 /nfs/dbraw/zinc/10/68/70/285106870.db2.gz LBXFHIRUQQPVFS-CYBMUJFWSA-N 1 1 331.332 1.166 20 5 EDBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000124799239 285117498 /nfs/dbraw/zinc/11/74/98/285117498.db2.gz MROMTNSRJQVDRV-PHIMTYICSA-N 1 1 345.808 1.763 20 5 EDBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCC[N@@H+]3CCCO)cc2N1 ZINC000450597163 254679748 /nfs/dbraw/zinc/67/97/48/254679748.db2.gz OTFULVGJFXBQAW-CYBMUJFWSA-N 1 1 348.403 1.738 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000492162735 255160224 /nfs/dbraw/zinc/16/02/24/255160224.db2.gz IDGUVFFDFVSWMV-SREVYHEPSA-N 1 1 341.371 1.690 20 5 EDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000493456332 255209545 /nfs/dbraw/zinc/20/95/45/255209545.db2.gz QSPHELVRWDNQPG-CXOKCQFOSA-N 1 1 333.388 1.571 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000270386881 140090522 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ZINC000273225386 273033795 /nfs/dbraw/zinc/03/37/95/273033795.db2.gz VNVHKCXZSJRZTM-CYBMUJFWSA-N 1 1 338.360 1.173 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000273225386 273033796 /nfs/dbraw/zinc/03/37/96/273033796.db2.gz VNVHKCXZSJRZTM-CYBMUJFWSA-N 1 1 338.360 1.173 20 5 EDBDMO COc1cc(S(=O)(=O)NCC2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000274019664 273065803 /nfs/dbraw/zinc/06/58/03/273065803.db2.gz VZOJIKYBZZEFQR-UHFFFAOYSA-N 1 1 341.389 1.144 20 5 EDBDMO CC[C@](C)([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000177133550 272939823 /nfs/dbraw/zinc/93/98/23/272939823.db2.gz XARIQAWKNXGKJF-ZDUSSCGKSA-N 1 1 328.756 1.430 20 5 EDBDMO Cc1cc(OCC(=O)NCC[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000280762708 273395367 /nfs/dbraw/zinc/39/53/67/273395367.db2.gz GPNQIOTWRVCEKA-UHFFFAOYSA-N 1 1 337.376 1.121 20 5 EDBDMO COc1ccc(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000284528948 274234796 /nfs/dbraw/zinc/23/47/96/274234796.db2.gz FJBPXTRXAIPERB-STQMWFEESA-N 1 1 337.376 1.395 20 5 EDBDMO COC[C@@H]1C[C@H](OC)C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000284628254 274270489 /nfs/dbraw/zinc/27/04/89/274270489.db2.gz LONDCXMPYIMVRO-JSGCOSHPSA-N 1 1 340.376 1.718 20 5 EDBDMO O=C1[C@H]([N@@H+]2CC[C@H](n3cccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000361588624 275030091 /nfs/dbraw/zinc/03/00/91/275030091.db2.gz FUXFJMAFMBOHRZ-JKSUJKDBSA-N 1 1 341.371 1.844 20 5 EDBDMO O=C1[C@H]([N@H+]2CC[C@H](n3cccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000361588624 275030092 /nfs/dbraw/zinc/03/00/92/275030092.db2.gz FUXFJMAFMBOHRZ-JKSUJKDBSA-N 1 1 341.371 1.844 20 5 EDBDMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000193820260 276167617 /nfs/dbraw/zinc/16/76/17/276167617.db2.gz FZVYYLJEALKQOV-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000193820260 276167618 /nfs/dbraw/zinc/16/76/18/276167618.db2.gz FZVYYLJEALKQOV-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO CCOC(=O)c1ccnc(N2CCC[N@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000077939198 276300485 /nfs/dbraw/zinc/30/04/85/276300485.db2.gz CBEPJOAWKAXAHK-UHFFFAOYSA-N 1 1 334.376 1.841 20 5 EDBDMO C[N@H+]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000097617833 277050326 /nfs/dbraw/zinc/05/03/26/277050326.db2.gz TXUOJNMCCUKEGD-UHFFFAOYSA-N 1 1 332.404 1.973 20 5 EDBDMO C[N@H+]1CC[C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000109848226 277162468 /nfs/dbraw/zinc/16/24/68/277162468.db2.gz GLXZLUZNCOYPPA-CQSZACIVSA-N 1 1 346.431 1.879 20 5 EDBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000262061328 278060847 /nfs/dbraw/zinc/06/08/47/278060847.db2.gz VWPJBGPYDGNEHU-LBPRGKRZSA-N 1 1 331.328 1.983 20 5 EDBDMO CS(=O)(=O)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000181768415 278106427 /nfs/dbraw/zinc/10/64/27/278106427.db2.gz UEKIDSMERDUNHV-CQSZACIVSA-N 1 1 338.389 1.167 20 5 EDBDMO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070076985 278438699 /nfs/dbraw/zinc/43/86/99/278438699.db2.gz VCPPINKMQUKIDD-IUCAKERBSA-N 1 1 333.797 1.619 20 5 EDBDMO Cc1cc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)ccc1[N+](=O)[O-] ZINC000374544198 280559182 /nfs/dbraw/zinc/55/91/82/280559182.db2.gz DRHQWLKQUSGMDI-MRXNPFEDSA-N 1 1 332.404 1.694 20 5 EDBDMO COC(=O)c1cc(C)nc(NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000287629292 288278707 /nfs/dbraw/zinc/27/87/07/288278707.db2.gz ZMIPRQZNJUJNPT-UHFFFAOYSA-N 1 1 340.405 1.546 20 5 EDBDMO C[C@H]1[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000291669635 289144592 /nfs/dbraw/zinc/14/45/92/289144592.db2.gz CKKKKJSKLFJXRG-DZGCQCFKSA-N 1 1 343.387 1.571 20 5 EDBDMO COc1cc(OCC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292190402 289284576 /nfs/dbraw/zinc/28/45/76/289284576.db2.gz LFRUXMFXDIYISS-QGZVFWFLSA-N 1 1 349.387 1.536 20 5 EDBDMO CC(C)C[C@H]1C(=O)NCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293710123 303007219 /nfs/dbraw/zinc/00/72/19/303007219.db2.gz XSBIWRIXCAHQES-HOTGVXAUSA-N 1 1 335.404 1.865 20 5 EDBDMO CC(C)C[C@H]1C(=O)NCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293710123 303007221 /nfs/dbraw/zinc/00/72/21/303007221.db2.gz XSBIWRIXCAHQES-HOTGVXAUSA-N 1 1 335.404 1.865 20 5 EDBDMO Cn1c[nH+]cc1CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000298025738 303489015 /nfs/dbraw/zinc/48/90/15/303489015.db2.gz FFGWHVJEKWTXGF-UHFFFAOYSA-N 1 1 343.387 1.329 20 5 EDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1CCO ZINC000493569198 447344066 /nfs/dbraw/zinc/34/40/66/447344066.db2.gz RYPLFNNWUPMPQT-HVHJFMEUSA-N 1 1 333.388 1.571 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423965525 304921377 /nfs/dbraw/zinc/92/13/77/304921377.db2.gz HOHHRXLWDVUBBS-HNNXBMFYSA-N 1 1 330.319 1.916 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC[N@@H+](C)Cc2ccccc2)c1 ZINC000430104127 305045636 /nfs/dbraw/zinc/04/56/36/305045636.db2.gz UJNZASLTKJMUGT-UHFFFAOYSA-N 1 1 345.355 1.675 20 5 EDBDMO C[NH2+]CC1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430934740 305068987 /nfs/dbraw/zinc/06/89/87/305068987.db2.gz NNLSHHVSJLOAJF-MRXNPFEDSA-N 1 1 332.404 1.632 20 5 EDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000432166925 305088611 /nfs/dbraw/zinc/08/86/11/305088611.db2.gz NRQPNOAYBUIBFB-RYUDHWBXSA-N 1 1 344.375 1.683 20 5 EDBDMO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CCCC[N@@H+]2CCO)s1 ZINC000450608418 305330902 /nfs/dbraw/zinc/33/09/02/305330902.db2.gz CRURLTQDHFPGCC-JTQLQIEISA-N 1 1 337.405 1.858 20 5 EDBDMO COc1cc(C[NH2+][C@H]2COC[C@H]2OC)c([N+](=O)[O-])cc1OC(F)F ZINC000459828269 305525831 /nfs/dbraw/zinc/52/58/31/305525831.db2.gz NWLGZAWYDBXIQL-TVQRCGJNSA-N 1 1 348.302 1.708 20 5 EDBDMO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515415551 305721341 /nfs/dbraw/zinc/72/13/41/305721341.db2.gz UKKOZQJEXXNUCT-HIFRSBDPSA-N 1 1 347.375 1.359 20 5 EDBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000531887715 305970433 /nfs/dbraw/zinc/97/04/33/305970433.db2.gz LWQHXPIDERRYIY-RYUDHWBXSA-N 1 1 336.392 1.607 20 5 EDBDMO C[C@@H](O)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000534870749 306009133 /nfs/dbraw/zinc/00/91/33/306009133.db2.gz DNPRBDMKMQVWJG-CQSZACIVSA-N 1 1 331.372 1.640 20 5 EDBDMO C[N@@H+](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000535723490 306014906 /nfs/dbraw/zinc/01/49/06/306014906.db2.gz MRHVWMIEJSGEQC-CYBMUJFWSA-N 1 1 339.417 1.527 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1=CC[N@@H+](C)CC1 ZINC000540875959 306041134 /nfs/dbraw/zinc/04/11/34/306041134.db2.gz QMBXIOMVTDTDRK-UHFFFAOYSA-N 1 1 325.390 1.443 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](CO)[C@@H](O)C3)o2)c1 ZINC000554742178 306197355 /nfs/dbraw/zinc/19/73/55/306197355.db2.gz ULINFNQOVSSJEH-HIFRSBDPSA-N 1 1 347.371 1.467 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@@H]2[C@H]1c1ccccc1 ZINC000377830236 447375729 /nfs/dbraw/zinc/37/57/29/447375729.db2.gz BXWVTHKICORCHB-VNHYZAJKSA-N 1 1 340.387 1.706 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493778199 447391659 /nfs/dbraw/zinc/39/16/59/447391659.db2.gz MADIXNQXSKOTCG-ZHACJKMWSA-N 1 1 348.447 1.950 20 5 EDBDMO CN(CCCN(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000493778199 447391665 /nfs/dbraw/zinc/39/16/65/447391665.db2.gz MADIXNQXSKOTCG-ZHACJKMWSA-N 1 1 348.447 1.950 20 5 EDBDMO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000378293779 447414055 /nfs/dbraw/zinc/41/40/55/447414055.db2.gz PBOOMUDFGVJART-QWRGUYRKSA-N 1 1 329.360 2.284 20 5 EDBDMO Cc1ccc(NCC[NH+]2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000080578625 441181405 /nfs/dbraw/zinc/18/14/05/441181405.db2.gz SGXRETCIJBCCRC-UHFFFAOYSA-N 1 1 342.403 1.927 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000060470486 441245675 /nfs/dbraw/zinc/24/56/75/441245675.db2.gz CBOCZEBNUNNPJO-CYBMUJFWSA-N 1 1 341.371 1.747 20 5 EDBDMO O=C1C[C@]2(CN1)CCC[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000072829163 441263943 /nfs/dbraw/zinc/26/39/43/441263943.db2.gz FBTNGXXMQAECSJ-KRWDZBQOSA-N 1 1 347.371 1.563 20 5 EDBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000072932714 441277303 /nfs/dbraw/zinc/27/73/03/441277303.db2.gz OINSHSUIIIOIBO-UHFFFAOYSA-N 1 1 331.332 1.675 20 5 EDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000081553954 441287630 /nfs/dbraw/zinc/28/76/30/441287630.db2.gz OUDNZFDLLFBWIV-VIFPVBQESA-N 1 1 342.783 1.501 20 5 EDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000108306509 441442657 /nfs/dbraw/zinc/44/26/57/441442657.db2.gz REYHCZDTWGSPCB-LLVKDONJSA-N 1 1 329.360 1.685 20 5 EDBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000064994698 441399812 /nfs/dbraw/zinc/39/98/12/441399812.db2.gz ZRDZCIVBYFUHKO-DZGCQCFKSA-N 1 1 335.404 1.958 20 5 EDBDMO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000030137290 441484262 /nfs/dbraw/zinc/48/42/62/441484262.db2.gz ZAEBJFOMAYLANO-UHFFFAOYSA-N 1 1 341.433 1.889 20 5 EDBDMO COC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000066835570 441573769 /nfs/dbraw/zinc/57/37/69/441573769.db2.gz JYQYRMDNOWPGHD-NSHDSACASA-N 1 1 336.344 1.846 20 5 EDBDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000066835570 441573773 /nfs/dbraw/zinc/57/37/73/441573773.db2.gz JYQYRMDNOWPGHD-NSHDSACASA-N 1 1 336.344 1.846 20 5 EDBDMO COC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000114063341 441632320 /nfs/dbraw/zinc/63/23/20/441632320.db2.gz MYXZISFJQFWCFQ-SECBINFHSA-N 1 1 343.767 1.928 20 5 EDBDMO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000114063341 441632323 /nfs/dbraw/zinc/63/23/23/441632323.db2.gz MYXZISFJQFWCFQ-SECBINFHSA-N 1 1 343.767 1.928 20 5 EDBDMO Cc1cc(C(=O)NCC2CCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000114142135 441637120 /nfs/dbraw/zinc/63/71/20/441637120.db2.gz QSNYCOWBSKOAGO-UHFFFAOYSA-N 1 1 348.447 1.907 20 5 EDBDMO CC[NH+]1CCN(CCCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000114378766 441649840 /nfs/dbraw/zinc/64/98/40/441649840.db2.gz SASVKZXSENIICD-UHFFFAOYSA-N 1 1 349.435 1.325 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000067595207 441655599 /nfs/dbraw/zinc/65/55/99/441655599.db2.gz OTVDQNBFWTZCID-QGZVFWFLSA-N 1 1 348.447 1.905 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000042055544 441699856 /nfs/dbraw/zinc/69/98/56/441699856.db2.gz HFSRPKYXLHRMFM-UONOGXRCSA-N 1 1 332.360 1.276 20 5 EDBDMO C[C@H]1C[N@H+](C2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)CCO1 ZINC000091453758 441701796 /nfs/dbraw/zinc/70/17/96/441701796.db2.gz ZFEDXEMFGZLUCP-LBPRGKRZSA-N 1 1 346.391 1.327 20 5 EDBDMO CCOC(=O)N[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000136945034 441733632 /nfs/dbraw/zinc/73/36/32/441733632.db2.gz ZCQLAKISTVSTQG-ZFWWWQNUSA-N 1 1 337.376 1.839 20 5 EDBDMO CCOC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000136945034 441733634 /nfs/dbraw/zinc/73/36/34/441733634.db2.gz ZCQLAKISTVSTQG-ZFWWWQNUSA-N 1 1 337.376 1.839 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000136806542 441724375 /nfs/dbraw/zinc/72/43/75/441724375.db2.gz ZINIWTMAMIAABH-MRXNPFEDSA-N 1 1 328.372 1.845 20 5 EDBDMO C[N@@H+](CCc1ccncc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000121534725 441726938 /nfs/dbraw/zinc/72/69/38/441726938.db2.gz KQHIMWNHNCHWEZ-MRXNPFEDSA-N 1 1 331.372 1.904 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000142093192 441859484 /nfs/dbraw/zinc/85/94/84/441859484.db2.gz HAQFXYBWYYUJSE-AWEZNQCLSA-N 1 1 332.404 1.971 20 5 EDBDMO COc1cc(OCC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000068863669 441861672 /nfs/dbraw/zinc/86/16/72/441861672.db2.gz ZAOUOXDPTKDSSS-ZIAGYGMSSA-N 1 1 349.387 1.725 20 5 EDBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000119167636 441921106 /nfs/dbraw/zinc/92/11/06/441921106.db2.gz BBASZYFWFJPGNZ-RNCFNFMXSA-N 1 1 327.768 1.697 20 5 EDBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000119167636 441921112 /nfs/dbraw/zinc/92/11/12/441921112.db2.gz BBASZYFWFJPGNZ-RNCFNFMXSA-N 1 1 327.768 1.697 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000174025263 441879727 /nfs/dbraw/zinc/87/97/27/441879727.db2.gz JWWSJFXNZWWGOM-CYBMUJFWSA-N 1 1 341.433 1.866 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000118097545 441887711 /nfs/dbraw/zinc/88/77/11/441887711.db2.gz NIXSJBUUJIZRLJ-CYBMUJFWSA-N 1 1 334.376 1.442 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000124440106 441925915 /nfs/dbraw/zinc/92/59/15/441925915.db2.gz OOHDDUOSYLNSLY-MEDUHNTESA-N 1 1 337.376 1.777 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000124440106 441925919 /nfs/dbraw/zinc/92/59/19/441925919.db2.gz OOHDDUOSYLNSLY-MEDUHNTESA-N 1 1 337.376 1.777 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000069499342 441953387 /nfs/dbraw/zinc/95/33/87/441953387.db2.gz FANGYZKOCGEXOY-GFCCVEGCSA-N 1 1 337.376 1.444 20 5 EDBDMO Cn1cc(C[N@H+](C)CC(=O)NC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120312087 442047953 /nfs/dbraw/zinc/04/79/53/442047953.db2.gz IBFOMIGFIFWPQP-UHFFFAOYSA-N 1 1 343.387 1.706 20 5 EDBDMO Cn1cc(C[N@@H+](C)CC(=O)NC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120312087 442047959 /nfs/dbraw/zinc/04/79/59/442047959.db2.gz IBFOMIGFIFWPQP-UHFFFAOYSA-N 1 1 343.387 1.706 20 5 EDBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000126190340 442087228 /nfs/dbraw/zinc/08/72/28/442087228.db2.gz ZMOGCSPOHRXACE-GHMZBOCLSA-N 1 1 325.390 1.498 20 5 EDBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000126190340 442087231 /nfs/dbraw/zinc/08/72/31/442087231.db2.gz ZMOGCSPOHRXACE-GHMZBOCLSA-N 1 1 325.390 1.498 20 5 EDBDMO CCCNC(=O)C[NH+]1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121260009 442196842 /nfs/dbraw/zinc/19/68/42/442196842.db2.gz MOCYVSQBBXZKIX-UHFFFAOYSA-N 1 1 335.408 1.701 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000152488336 442219290 /nfs/dbraw/zinc/21/92/90/442219290.db2.gz GRCTZBOMQIGZCV-UHFFFAOYSA-N 1 1 329.784 1.946 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000153237415 442269319 /nfs/dbraw/zinc/26/93/19/442269319.db2.gz HYOAKNYYMFKDRS-NEPJUHHUSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000153237415 442269322 /nfs/dbraw/zinc/26/93/22/442269322.db2.gz HYOAKNYYMFKDRS-NEPJUHHUSA-N 1 1 337.376 1.777 20 5 EDBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000154135229 442323188 /nfs/dbraw/zinc/32/31/88/442323188.db2.gz XZJKPKHZLULTDD-ZDUSSCGKSA-N 1 1 337.424 1.877 20 5 EDBDMO CNC(=O)CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000154733023 442354333 /nfs/dbraw/zinc/35/43/33/442354333.db2.gz YSRSTCWHOAVGEQ-GFCCVEGCSA-N 1 1 336.392 1.688 20 5 EDBDMO CN(CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000155073400 442373968 /nfs/dbraw/zinc/37/39/68/442373968.db2.gz ZATCUUUXSMFCBW-CABCVRRESA-N 1 1 346.431 1.974 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@H+](C)C(C)C ZINC000155577031 442409723 /nfs/dbraw/zinc/40/97/23/442409723.db2.gz KKEISUBJNYGCTN-UHFFFAOYSA-N 1 1 329.422 1.830 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179801110 442505013 /nfs/dbraw/zinc/50/50/13/442505013.db2.gz YFTYEFCEUWJUHM-TZMCWYRMSA-N 1 1 329.360 1.504 20 5 EDBDMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000186388511 442524458 /nfs/dbraw/zinc/52/44/58/442524458.db2.gz JPGGVAMOOHZIKN-LLVKDONJSA-N 1 1 345.396 1.805 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000186388511 442524460 /nfs/dbraw/zinc/52/44/60/442524460.db2.gz JPGGVAMOOHZIKN-LLVKDONJSA-N 1 1 345.396 1.805 20 5 EDBDMO COc1c(F)cc(S(=O)(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000191860655 442526962 /nfs/dbraw/zinc/52/69/62/442526962.db2.gz TVYMCOPEAZPDNI-UHFFFAOYSA-N 1 1 347.368 1.117 20 5 EDBDMO CSc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000156859999 442527808 /nfs/dbraw/zinc/52/78/08/442527808.db2.gz NMSGPKKMAJKRJQ-ZWNOBZJWSA-N 1 1 339.417 1.766 20 5 EDBDMO CSc1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000156859999 442527813 /nfs/dbraw/zinc/52/78/13/442527813.db2.gz NMSGPKKMAJKRJQ-ZWNOBZJWSA-N 1 1 339.417 1.766 20 5 EDBDMO COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000179134009 442580043 /nfs/dbraw/zinc/58/00/43/442580043.db2.gz XQZFZTFTNFRSKJ-CQSZACIVSA-N 1 1 335.360 1.585 20 5 EDBDMO COC(=O)C[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000179134009 442580050 /nfs/dbraw/zinc/58/00/50/442580050.db2.gz XQZFZTFTNFRSKJ-CQSZACIVSA-N 1 1 335.360 1.585 20 5 EDBDMO COC[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000172889488 442562991 /nfs/dbraw/zinc/56/29/91/442562991.db2.gz BLFZXDOIWNRDNJ-CYBMUJFWSA-N 1 1 337.376 1.579 20 5 EDBDMO COC[C@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000172889488 442562997 /nfs/dbraw/zinc/56/29/97/442562997.db2.gz BLFZXDOIWNRDNJ-CYBMUJFWSA-N 1 1 337.376 1.579 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000186879334 442624291 /nfs/dbraw/zinc/62/42/91/442624291.db2.gz IHZXWSOKRBICFW-LLVKDONJSA-N 1 1 336.392 1.215 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000186879334 442624295 /nfs/dbraw/zinc/62/42/95/442624295.db2.gz IHZXWSOKRBICFW-LLVKDONJSA-N 1 1 336.392 1.215 20 5 EDBDMO C[C@H]1CN(CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000192769612 442685030 /nfs/dbraw/zinc/68/50/30/442685030.db2.gz ZMHSQODOKLZENM-KBPBESRZSA-N 1 1 335.408 1.197 20 5 EDBDMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)C1 ZINC000181321394 442689999 /nfs/dbraw/zinc/68/99/99/442689999.db2.gz CLFLYJQWEDYWNH-JQWIXIFHSA-N 1 1 335.360 1.782 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000192820548 442690020 /nfs/dbraw/zinc/69/00/20/442690020.db2.gz XOUAWQPFAKDDMV-LSDHHAIUSA-N 1 1 337.420 1.751 20 5 EDBDMO CCOCCCN1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000181441996 442697503 /nfs/dbraw/zinc/69/75/03/442697503.db2.gz JPSSONWIEBQCIJ-ZBFHGGJFSA-N 1 1 339.440 1.518 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000193208664 442722532 /nfs/dbraw/zinc/72/25/32/442722532.db2.gz HOVGINAVQXGQMZ-LLVKDONJSA-N 1 1 343.405 1.366 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000265432956 442771235 /nfs/dbraw/zinc/77/12/35/442771235.db2.gz VZTYTOOEAJJUAW-LLVKDONJSA-N 1 1 338.364 1.446 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000246739822 442808558 /nfs/dbraw/zinc/80/85/58/442808558.db2.gz YQXJZWATLGHBKE-ZDUSSCGKSA-N 1 1 336.392 1.943 20 5 EDBDMO CC[N@H+]1CC[C@H](CNC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000183195902 442900769 /nfs/dbraw/zinc/90/07/69/442900769.db2.gz GWTLPYBYRVPFJX-CYBMUJFWSA-N 1 1 348.403 1.091 20 5 EDBDMO CCN1CC[NH+](CCCNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194403699 442890299 /nfs/dbraw/zinc/89/02/99/442890299.db2.gz JCBGLUBANLSWDV-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000265978504 442992209 /nfs/dbraw/zinc/99/22/09/442992209.db2.gz YFXXRMDTNSJBRX-LLVKDONJSA-N 1 1 337.376 1.684 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2cc(F)ncc2F)cc1 ZINC000294932584 318631472 /nfs/dbraw/zinc/63/14/72/318631472.db2.gz DFTSAADNAWNOER-DZGCQCFKSA-N 1 1 339.298 1.452 20 5 EDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000295212929 318637139 /nfs/dbraw/zinc/63/71/39/318637139.db2.gz LTRNPCGWCBXRBP-AWEZNQCLSA-N 1 1 327.381 1.847 20 5 EDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000184783302 443075974 /nfs/dbraw/zinc/07/59/74/443075974.db2.gz WFVLIHGUBYGLJD-YPKPFQOOSA-N 1 1 333.388 1.837 20 5 EDBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185103627 443138289 /nfs/dbraw/zinc/13/82/89/443138289.db2.gz NCOIETUKSPPLLL-OGXUTIIGSA-N 1 1 330.406 1.033 20 5 EDBDMO Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000268816396 443118019 /nfs/dbraw/zinc/11/80/19/443118019.db2.gz IMWLUJJZYDHHOL-MRXNPFEDSA-N 1 1 332.404 1.646 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000190847796 443195061 /nfs/dbraw/zinc/19/50/61/443195061.db2.gz CUMKAXXLMVWODT-QWHCGFSZSA-N 1 1 339.392 1.295 20 5 EDBDMO C[C@H](O)C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)CO ZINC000190935435 443211805 /nfs/dbraw/zinc/21/18/05/443211805.db2.gz KDSGXWRJAVJHJW-RYUDHWBXSA-N 1 1 335.360 1.813 20 5 EDBDMO C[C@H](O)C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)CO ZINC000190935435 443211807 /nfs/dbraw/zinc/21/18/07/443211807.db2.gz KDSGXWRJAVJHJW-RYUDHWBXSA-N 1 1 335.360 1.813 20 5 EDBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000185553441 443219049 /nfs/dbraw/zinc/21/90/49/443219049.db2.gz FTMFFSAWAWDBFD-GFCCVEGCSA-N 1 1 335.408 1.670 20 5 EDBDMO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411771894 319202461 /nfs/dbraw/zinc/20/24/61/319202461.db2.gz PKWOZMJGHILDLA-ZDUSSCGKSA-N 1 1 334.420 1.846 20 5 EDBDMO CCC[N@@H+](CC)CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000266908012 443287065 /nfs/dbraw/zinc/28/70/65/443287065.db2.gz KLQGJUBZFWDILO-UHFFFAOYSA-N 1 1 339.392 1.830 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000185971093 443292330 /nfs/dbraw/zinc/29/23/30/443292330.db2.gz BRYGGAGISNCROG-DOMZBBRYSA-N 1 1 339.417 1.700 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000264472732 443304012 /nfs/dbraw/zinc/30/40/12/443304012.db2.gz 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ZINC000341323111 444778783 /nfs/dbraw/zinc/77/87/83/444778783.db2.gz TVLPAGUYMNBOMQ-LRDDRELGSA-N 1 1 347.419 1.789 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCn3cc[nH+]c32)n1 ZINC000342788509 444867118 /nfs/dbraw/zinc/86/71/18/444867118.db2.gz YQZPKGWLQTXXBE-SNVBAGLBSA-N 1 1 331.332 1.962 20 5 EDBDMO O=C([C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCCC1 ZINC000341610683 444918952 /nfs/dbraw/zinc/91/89/52/444918952.db2.gz UUEMSKIINKBUMI-CQSZACIVSA-N 1 1 348.403 1.091 20 5 EDBDMO COC[C@@H]1C[C@@H](OC)C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000344366257 444922138 /nfs/dbraw/zinc/92/21/38/444922138.db2.gz LONDCXMPYIMVRO-GXTWGEPZSA-N 1 1 340.376 1.718 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000330584208 445047172 /nfs/dbraw/zinc/04/71/72/445047172.db2.gz KSBPWRUQQSYFDV-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000330584208 445047175 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ODRHIACMOAIPDU-LSDHHAIUSA-N 1 1 348.403 1.518 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CCNc2[nH+]cnc3[nH]ccc32)cc1 ZINC000347849522 445251160 /nfs/dbraw/zinc/25/11/60/445251160.db2.gz DSVJDRZTEZLASE-UHFFFAOYSA-N 1 1 347.356 1.752 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000343606091 445260891 /nfs/dbraw/zinc/26/08/91/445260891.db2.gz MKOZOACLVVONTF-HNNXBMFYSA-N 1 1 348.403 1.315 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000362411905 445368526 /nfs/dbraw/zinc/36/85/26/445368526.db2.gz WOJIJMMWTKTIEI-SJCJKPOMSA-N 1 1 346.387 1.524 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000362411905 445368530 /nfs/dbraw/zinc/36/85/30/445368530.db2.gz WOJIJMMWTKTIEI-SJCJKPOMSA-N 1 1 346.387 1.524 20 5 EDBDMO COCCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000362429404 445377809 /nfs/dbraw/zinc/37/78/09/445377809.db2.gz NLSPAKYSNIIUEG-UHFFFAOYSA-N 1 1 327.406 1.841 20 5 EDBDMO COc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000352013347 445438763 /nfs/dbraw/zinc/43/87/63/445438763.db2.gz IVYRNKFTNLODKU-WDEREUQCSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000352013347 445438766 /nfs/dbraw/zinc/43/87/66/445438766.db2.gz IVYRNKFTNLODKU-WDEREUQCSA-N 1 1 337.376 1.777 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000360135020 445587680 /nfs/dbraw/zinc/58/76/80/445587680.db2.gz ONABKXGCGNXCIM-ZDUSSCGKSA-N 1 1 337.376 1.904 20 5 EDBDMO CNC(=O)C(C)(C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353618573 445679320 /nfs/dbraw/zinc/67/93/20/445679320.db2.gz GRGXCGJKRHVOIW-CQSZACIVSA-N 1 1 345.403 1.780 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000363105221 445679952 /nfs/dbraw/zinc/67/99/52/445679952.db2.gz ULSHIOZNUBBIKR-NEPJUHHUSA-N 1 1 345.359 1.064 20 5 EDBDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000363450573 445809347 /nfs/dbraw/zinc/80/93/47/445809347.db2.gz SRJJOCKQMBJXOY-AWEZNQCLSA-N 1 1 327.344 1.687 20 5 EDBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000363450573 445809351 /nfs/dbraw/zinc/80/93/51/445809351.db2.gz SRJJOCKQMBJXOY-AWEZNQCLSA-N 1 1 327.344 1.687 20 5 EDBDMO Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000364444359 445923825 /nfs/dbraw/zinc/92/38/25/445923825.db2.gz LEQFDTQTUKEHFU-HUUCEWRRSA-N 1 1 348.403 1.550 20 5 EDBDMO O=C(NC1CC1)c1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000364882457 445965996 /nfs/dbraw/zinc/96/59/96/445965996.db2.gz MEEXCUQZRKQUPQ-CQSZACIVSA-N 1 1 346.387 1.008 20 5 EDBDMO O=C(NC1CC1)c1ccc(N2CC[N@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000364882457 445965997 /nfs/dbraw/zinc/96/59/97/445965997.db2.gz MEEXCUQZRKQUPQ-CQSZACIVSA-N 1 1 346.387 1.008 20 5 EDBDMO Cc1cc(OCC(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000369175578 445971390 /nfs/dbraw/zinc/97/13/90/445971390.db2.gz WVEISVKAIDYZOD-BBRMVZONSA-N 1 1 333.388 1.835 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369272135 446038996 /nfs/dbraw/zinc/03/89/96/446038996.db2.gz ADGSFWDYDIKYDY-CQSZACIVSA-N 1 1 346.431 1.802 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369272135 446039001 /nfs/dbraw/zinc/03/90/01/446039001.db2.gz ADGSFWDYDIKYDY-CQSZACIVSA-N 1 1 346.431 1.802 20 5 EDBDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000369282346 446047110 /nfs/dbraw/zinc/04/71/10/446047110.db2.gz GPTJTRQJQLDUFE-KBPBESRZSA-N 1 1 334.380 1.113 20 5 EDBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359238285 446070457 /nfs/dbraw/zinc/07/04/57/446070457.db2.gz QEQAPYVWUDPYRL-GFCCVEGCSA-N 1 1 333.392 1.543 20 5 EDBDMO Cc1ncccc1O[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000365276475 446119756 /nfs/dbraw/zinc/11/97/56/446119756.db2.gz ROJUNENDRDTPFM-CABCVRRESA-N 1 1 347.375 1.009 20 5 EDBDMO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000362110328 446219426 /nfs/dbraw/zinc/21/94/26/446219426.db2.gz ROAOCYPIVGRJDQ-OAHLLOKOSA-N 1 1 328.340 1.916 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)n1 ZINC000366608698 446280013 /nfs/dbraw/zinc/28/00/13/446280013.db2.gz FROVOJFHQHFDDE-UHFFFAOYSA-N 1 1 339.359 1.430 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3c(nnn3-c3ccccc3)C2)n1 ZINC000366608698 446280016 /nfs/dbraw/zinc/28/00/16/446280016.db2.gz FROVOJFHQHFDDE-UHFFFAOYSA-N 1 1 339.359 1.430 20 5 EDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000375059783 446553552 /nfs/dbraw/zinc/55/35/52/446553552.db2.gz SIHBOHDOCZRUJF-LLYBFZRZSA-N 1 1 341.371 1.515 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000411576064 446612961 /nfs/dbraw/zinc/61/29/61/446612961.db2.gz NZIMTPLBWTVTFC-LLVKDONJSA-N 1 1 339.367 1.886 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1CCO ZINC000411564194 446602553 /nfs/dbraw/zinc/60/25/53/446602553.db2.gz FCEWYIRCRVMGAC-LBPRGKRZSA-N 1 1 337.376 1.779 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368086327 446631903 /nfs/dbraw/zinc/63/19/03/446631903.db2.gz WRSDGMJEMCWAAI-JSGCOSHPSA-N 1 1 346.387 1.300 20 5 EDBDMO CC[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000420592535 446695482 /nfs/dbraw/zinc/69/54/82/446695482.db2.gz AZLPRMWCVQKULL-LBPRGKRZSA-N 1 1 336.392 1.241 20 5 EDBDMO CCN1CCC([N@@H+]2CCCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000420628999 446710441 /nfs/dbraw/zinc/71/04/41/446710441.db2.gz QGSCMENGRSLNMZ-UHFFFAOYSA-N 1 1 334.424 1.381 20 5 EDBDMO CCN1CCC([N@H+]2CCCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000420628999 446710451 /nfs/dbraw/zinc/71/04/51/446710451.db2.gz QGSCMENGRSLNMZ-UHFFFAOYSA-N 1 1 334.424 1.381 20 5 EDBDMO CCN1CCC([N@@H+]2CCCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000420634031 446712718 /nfs/dbraw/zinc/71/27/18/446712718.db2.gz ZAORYJKLNUCMRA-UHFFFAOYSA-N 1 1 333.436 1.986 20 5 EDBDMO CCN1CCC([N@H+]2CCCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000420634031 446712723 /nfs/dbraw/zinc/71/27/23/446712723.db2.gz ZAORYJKLNUCMRA-UHFFFAOYSA-N 1 1 333.436 1.986 20 5 EDBDMO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371277318 446735799 /nfs/dbraw/zinc/73/57/99/446735799.db2.gz IQCRSUZENRLDFH-LSDHHAIUSA-N 1 1 333.388 1.886 20 5 EDBDMO Cc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371277318 446735800 /nfs/dbraw/zinc/73/58/00/446735800.db2.gz IQCRSUZENRLDFH-LSDHHAIUSA-N 1 1 333.388 1.886 20 5 EDBDMO COCCN1C(=O)N[C@H]2C[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000411820231 446681871 /nfs/dbraw/zinc/68/18/71/446681871.db2.gz NLMAUQUWHWPXNK-IVMMDQJWSA-N 1 1 348.403 1.770 20 5 EDBDMO COCCN1C(=O)N[C@H]2C[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000411820231 446681878 /nfs/dbraw/zinc/68/18/78/446681878.db2.gz NLMAUQUWHWPXNK-IVMMDQJWSA-N 1 1 348.403 1.770 20 5 EDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411939170 446750054 /nfs/dbraw/zinc/75/00/54/446750054.db2.gz IZKKIJWCANCFTK-GFCCVEGCSA-N 1 1 334.376 1.334 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000420761401 446800142 /nfs/dbraw/zinc/80/01/42/446800142.db2.gz HCQDIHHMXIVLTC-LBPRGKRZSA-N 1 1 327.406 1.618 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411932497 446743775 /nfs/dbraw/zinc/74/37/75/446743775.db2.gz FVCVBGJPRSYXJG-HOTGVXAUSA-N 1 1 329.356 1.564 20 5 EDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000424114067 446858739 /nfs/dbraw/zinc/85/87/39/446858739.db2.gz PRFAAGAYNZKMNW-SMDDNHRTSA-N 1 1 332.360 1.086 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000371452210 446864877 /nfs/dbraw/zinc/86/48/77/446864877.db2.gz UTKVWVIMFUAENP-HNNXBMFYSA-N 1 1 348.403 1.248 20 5 EDBDMO C[C@H]1C[C@H](CO)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000420932661 446905159 /nfs/dbraw/zinc/90/51/59/446905159.db2.gz FFCUGVWHHIATDE-STQMWFEESA-N 1 1 333.388 1.434 20 5 EDBDMO C[C@H]1C[C@H](CO)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000420932661 446905165 /nfs/dbraw/zinc/90/51/65/446905165.db2.gz FFCUGVWHHIATDE-STQMWFEESA-N 1 1 333.388 1.434 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000412337159 446940567 /nfs/dbraw/zinc/94/05/67/446940567.db2.gz JDHJBZWLFFVLKA-YVSFHVDLSA-N 1 1 345.399 1.630 20 5 EDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425012832 446991748 /nfs/dbraw/zinc/99/17/48/446991748.db2.gz PXOFHINLAYHDFY-DZGCQCFKSA-N 1 1 341.371 1.664 20 5 EDBDMO Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000455084819 447044906 /nfs/dbraw/zinc/04/49/06/447044906.db2.gz PKOVPYCEDNYHNV-AWEZNQCLSA-N 1 1 336.392 1.872 20 5 EDBDMO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000425216830 447069238 /nfs/dbraw/zinc/06/92/38/447069238.db2.gz 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C[C@H](CO)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000372733342 447257243 /nfs/dbraw/zinc/25/72/43/447257243.db2.gz WWEQZUVDAZVMQY-LLVKDONJSA-N 1 1 341.795 1.777 20 5 EDBDMO COc1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425665924 447259768 /nfs/dbraw/zinc/25/97/68/447259768.db2.gz YGINBPLRGOVBHV-DZGCQCFKSA-N 1 1 348.403 1.839 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[N@H+](C)C1 ZINC000421887088 447268752 /nfs/dbraw/zinc/26/87/52/447268752.db2.gz ICALBWGEHOLXGG-CYBMUJFWSA-N 1 1 349.387 1.388 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[N@@H+](C)C1 ZINC000421887088 447268758 /nfs/dbraw/zinc/26/87/58/447268758.db2.gz ICALBWGEHOLXGG-CYBMUJFWSA-N 1 1 349.387 1.388 20 5 EDBDMO CC(C)NC(=O)c1ccc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000450792189 447577618 /nfs/dbraw/zinc/57/76/18/447577618.db2.gz NNSZSGOZFYUQRL-XJKSGUPXSA-N 1 1 332.404 1.873 20 5 EDBDMO O=[N+]([O-])c1ccc2c(ccnc2NC[C@H]2CCC[N@@H+]2CCCO)c1 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O=C1CCCN1C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595829521 449193047 /nfs/dbraw/zinc/19/30/47/449193047.db2.gz QSQHNRLLFGQFJM-LBPRGKRZSA-N 1 1 343.387 1.915 20 5 EDBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595829521 449193053 /nfs/dbraw/zinc/19/30/53/449193053.db2.gz QSQHNRLLFGQFJM-LBPRGKRZSA-N 1 1 343.387 1.915 20 5 EDBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000600214381 449246622 /nfs/dbraw/zinc/24/66/22/449246622.db2.gz XIMZHCQDUVZOLU-AWEZNQCLSA-N 1 1 341.433 1.664 20 5 EDBDMO COc1cc(CN2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])cc1F ZINC000593980120 449310979 /nfs/dbraw/zinc/31/09/79/449310979.db2.gz XZFQRTDKFQCUEZ-UHFFFAOYSA-N 1 1 335.339 1.788 20 5 EDBDMO COc1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000593996028 449316186 /nfs/dbraw/zinc/31/61/86/449316186.db2.gz HIRMFHWBJBPYBH-HNNXBMFYSA-N 1 1 335.404 1.900 20 5 EDBDMO COc1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000593996028 449316191 /nfs/dbraw/zinc/31/61/91/449316191.db2.gz HIRMFHWBJBPYBH-HNNXBMFYSA-N 1 1 335.404 1.900 20 5 EDBDMO C[C@H](O)C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000594054349 449340599 /nfs/dbraw/zinc/34/05/99/449340599.db2.gz DTOXMTBYEZZJBW-VIFPVBQESA-N 1 1 337.332 1.107 20 5 EDBDMO C[C@H](O)C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000594054349 449340609 /nfs/dbraw/zinc/34/06/09/449340609.db2.gz DTOXMTBYEZZJBW-VIFPVBQESA-N 1 1 337.332 1.107 20 5 EDBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000593550501 449340843 /nfs/dbraw/zinc/34/08/43/449340843.db2.gz DJBYEHLEXPPKDD-QWRGUYRKSA-N 1 1 328.394 1.093 20 5 EDBDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602100466 449345185 /nfs/dbraw/zinc/34/51/85/449345185.db2.gz AZFYDKOVLBSARH-JSGCOSHPSA-N 1 1 333.392 1.487 20 5 EDBDMO O=c1[nH]ccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000596074417 449349996 /nfs/dbraw/zinc/34/99/96/449349996.db2.gz FVFQAFYKBONKJN-CQSZACIVSA-N 1 1 344.371 1.527 20 5 EDBDMO NC(=O)c1cc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000596075352 449351355 /nfs/dbraw/zinc/35/13/55/449351355.db2.gz MPRRZKLYCCQOAH-CQSZACIVSA-N 1 1 348.403 1.385 20 5 EDBDMO O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ccc([N+](=O)[O-])o1 ZINC000598366864 449364022 /nfs/dbraw/zinc/36/40/22/449364022.db2.gz HMSLMEUZDDEKAE-CHWSQXEVSA-N 1 1 335.360 1.561 20 5 EDBDMO O=[N+]([O-])c1cc2c(nc1N1CC(C[NH+]3CCOCC3)C1)CCCC2 ZINC000596239154 449433773 /nfs/dbraw/zinc/43/37/73/449433773.db2.gz BPOWXNKSPMTSNY-UHFFFAOYSA-N 1 1 332.404 1.637 20 5 EDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598454990 449404327 /nfs/dbraw/zinc/40/43/27/449404327.db2.gz YLLYGUGKDBBGNI-AWEZNQCLSA-N 1 1 348.403 1.064 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596195564 449407920 /nfs/dbraw/zinc/40/79/20/449407920.db2.gz FNZWYSQRZLFFGT-LBPRGKRZSA-N 1 1 335.408 1.132 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596195540 449407998 /nfs/dbraw/zinc/40/79/98/449407998.db2.gz FNZWYSQRZLFFGT-GFCCVEGCSA-N 1 1 335.408 1.132 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594325063 449450014 /nfs/dbraw/zinc/45/00/14/449450014.db2.gz AUIOCRJUQFMTIG-GJZGRUSLSA-N 1 1 346.387 1.666 20 5 EDBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ncnc1N1CCOCC1 ZINC000598589065 449478337 /nfs/dbraw/zinc/47/83/37/449478337.db2.gz CQIUHFNBJBMJLI-STQMWFEESA-N 1 1 348.407 1.260 20 5 EDBDMO CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000600662879 449479797 /nfs/dbraw/zinc/47/97/97/449479797.db2.gz RFGMUNAEHXURKE-WCFLWFBJSA-N 1 1 337.380 1.032 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+](C[C@@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594614395 449595674 /nfs/dbraw/zinc/59/56/74/449595674.db2.gz GLHFFJLVCSSLRJ-LLVKDONJSA-N 1 1 338.360 1.492 20 5 EDBDMO Cc1c[nH+]cn1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000598960375 449671486 /nfs/dbraw/zinc/67/14/86/449671486.db2.gz CHGWBWLYKJJYBY-UHFFFAOYSA-N 1 1 329.360 1.449 20 5 EDBDMO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000594788137 449695906 /nfs/dbraw/zinc/69/59/06/449695906.db2.gz FMYNIYUBTXITSH-LBPRGKRZSA-N 1 1 327.406 1.746 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000594788137 449695912 /nfs/dbraw/zinc/69/59/12/449695912.db2.gz FMYNIYUBTXITSH-LBPRGKRZSA-N 1 1 327.406 1.746 20 5 EDBDMO C[NH+]1CCN(CC2CN(c3ccc4cnccc4c3[N+](=O)[O-])C2)CC1 ZINC000599105437 449736840 /nfs/dbraw/zinc/73/68/40/449736840.db2.gz CLTMRUQUPHQPNT-UHFFFAOYSA-N 1 1 341.415 1.827 20 5 EDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601110381 449695584 /nfs/dbraw/zinc/69/55/84/449695584.db2.gz CABGCIPJCFDTDG-LBPRGKRZSA-N 1 1 339.371 1.484 20 5 EDBDMO NC(=O)c1ccnc(NC[C@@H]2CC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599128373 449751227 /nfs/dbraw/zinc/75/12/27/449751227.db2.gz YUIKZCRREZHKRZ-LBPRGKRZSA-N 1 1 333.392 1.908 20 5 EDBDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602797771 449817779 /nfs/dbraw/zinc/81/77/79/449817779.db2.gz OIPCLXSKSDZQGX-GFCCVEGCSA-N 1 1 333.396 1.880 20 5 EDBDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602797771 449817786 /nfs/dbraw/zinc/81/77/86/449817786.db2.gz OIPCLXSKSDZQGX-GFCCVEGCSA-N 1 1 333.396 1.880 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000602812334 449826778 /nfs/dbraw/zinc/82/67/78/449826778.db2.gz OVLAPLNFSQHDQW-KRWDZBQOSA-N 1 1 341.371 1.696 20 5 EDBDMO COc1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000597207954 449870414 /nfs/dbraw/zinc/87/04/14/449870414.db2.gz XRQKEIOJHAYHFJ-YPMHNXCESA-N 1 1 349.387 1.713 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000597207954 449870420 /nfs/dbraw/zinc/87/04/20/449870420.db2.gz XRQKEIOJHAYHFJ-YPMHNXCESA-N 1 1 349.387 1.713 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601361143 449874542 /nfs/dbraw/zinc/87/45/42/449874542.db2.gz CNWLFJKCVHKVDV-SNVBAGLBSA-N 1 1 345.396 1.662 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])s1 ZINC000601343193 449852540 /nfs/dbraw/zinc/85/25/40/449852540.db2.gz LPYKPLNPYFSBNO-JTQLQIEISA-N 1 1 331.419 1.433 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601434794 449956389 /nfs/dbraw/zinc/95/63/89/449956389.db2.gz VRFDGZLQINRNQL-JTQLQIEISA-N 1 1 331.369 1.272 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000601440819 449963257 /nfs/dbraw/zinc/96/32/57/449963257.db2.gz YTSDAAQRUXRHFM-SNVBAGLBSA-N 1 1 333.435 1.761 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000601440819 449963261 /nfs/dbraw/zinc/96/32/61/449963261.db2.gz YTSDAAQRUXRHFM-SNVBAGLBSA-N 1 1 333.435 1.761 20 5 EDBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)C1 ZINC000595353641 450067725 /nfs/dbraw/zinc/06/77/25/450067725.db2.gz JCECETSPVNILRC-ZDUSSCGKSA-N 1 1 341.433 1.920 20 5 EDBDMO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(c3nccnn3)CC2)cc1 ZINC000599509795 450032439 /nfs/dbraw/zinc/03/24/39/450032439.db2.gz RGDQBAGHYMGSCN-UHFFFAOYSA-N 1 1 344.375 1.371 20 5 EDBDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC000595333848 450048800 /nfs/dbraw/zinc/04/88/00/450048800.db2.gz UMSQYMCQEGFHJM-STQMWFEESA-N 1 1 325.365 1.643 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+](C)CC2(C)COC2)c([N+](=O)[O-])c1 ZINC000599571455 450076149 /nfs/dbraw/zinc/07/61/49/450076149.db2.gz HSEINJLQXIFJMY-UHFFFAOYSA-N 1 1 337.376 1.900 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CC2(C)COC2)c([N+](=O)[O-])c1 ZINC000599571455 450076152 /nfs/dbraw/zinc/07/61/52/450076152.db2.gz HSEINJLQXIFJMY-UHFFFAOYSA-N 1 1 337.376 1.900 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601584703 450092501 /nfs/dbraw/zinc/09/25/01/450092501.db2.gz SEJFQAZFDZMOOW-UHFFFAOYSA-N 1 1 340.399 1.689 20 5 EDBDMO CN(CCCN(C)C(=O)c1c(F)cccc1[N+](=O)[O-])CC[NH+](C)C ZINC000601584703 450092505 /nfs/dbraw/zinc/09/25/05/450092505.db2.gz SEJFQAZFDZMOOW-UHFFFAOYSA-N 1 1 340.399 1.689 20 5 EDBDMO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O ZINC000610272885 450179722 /nfs/dbraw/zinc/17/97/22/450179722.db2.gz YMZCZANKMJBXPQ-RTXFEEFZSA-N 1 1 347.371 1.465 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000610264722 450175080 /nfs/dbraw/zinc/17/50/80/450175080.db2.gz MJLGODPNAMYBEY-VXGBXAGGSA-N 1 1 342.421 1.483 20 5 EDBDMO CNc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000597697750 450205389 /nfs/dbraw/zinc/20/53/89/450205389.db2.gz ZWFVNOGGFDYVSM-GOEBONIOSA-N 1 1 348.403 1.572 20 5 EDBDMO CN(CC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000597714263 450216140 /nfs/dbraw/zinc/21/61/40/450216140.db2.gz HJXQHOPTHMQBGV-SFHVURJKSA-N 1 1 346.431 1.975 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCn2cncc2C1 ZINC000595492078 450182521 /nfs/dbraw/zinc/18/25/21/450182521.db2.gz UFNDCAHQPJQXSZ-UHFFFAOYSA-N 1 1 329.360 1.944 20 5 EDBDMO COC1(CO)CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000618551297 450240997 /nfs/dbraw/zinc/24/09/97/450240997.db2.gz SQQPVXPCCDPYCH-UHFFFAOYSA-N 1 1 348.359 1.618 20 5 EDBDMO COC(=O)COc1ccc(C[NH2+]Cc2cc(C)ncn2)cc1[N+](=O)[O-] ZINC000616092878 450319405 /nfs/dbraw/zinc/31/94/05/450319405.db2.gz HOPZADMIXXGBRE-UHFFFAOYSA-N 1 1 346.343 1.535 20 5 EDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619483307 450486100 /nfs/dbraw/zinc/48/61/00/450486100.db2.gz LVYXBLIQDWASDW-UHFFFAOYSA-N 1 1 345.421 1.614 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000610399658 491191947 /nfs/dbraw/zinc/19/19/47/491191947.db2.gz XCHHVHWBFSMBOR-STQMWFEESA-N 1 1 348.403 1.171 20 5 EDBDMO Cc1c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000174183163 533765592 /nfs/dbraw/zinc/76/55/92/533765592.db2.gz BSBUIUIIMRILJQ-CQSZACIVSA-N 1 1 333.388 1.698 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000173562951 534157738 /nfs/dbraw/zinc/15/77/38/534157738.db2.gz BYJOPGDGRRAVFQ-MNOVXSKESA-N 1 1 325.365 1.633 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000173562951 534157751 /nfs/dbraw/zinc/15/77/51/534157751.db2.gz BYJOPGDGRRAVFQ-MNOVXSKESA-N 1 1 325.365 1.633 20 5 EDBDMO Cc1nccc(N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000183768507 534755851 /nfs/dbraw/zinc/75/58/51/534755851.db2.gz SJWNRXRTIBJEGD-UHFFFAOYSA-N 1 1 343.387 1.894 20 5 EDBDMO C[NH2+][C@H](C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000261786139 536402785 /nfs/dbraw/zinc/40/27/85/536402785.db2.gz QKSJEPLQCNTSFM-ZCFIWIBFSA-N 1 1 342.204 1.788 20 5 EDBDMO CC[N@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000352674351 535653690 /nfs/dbraw/zinc/65/36/90/535653690.db2.gz PXSIKVYULBCANS-CYBMUJFWSA-N 1 1 332.404 1.510 20 5 EDBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000345772552 535809331 /nfs/dbraw/zinc/80/93/31/535809331.db2.gz HFVGFOQSAHXTKK-GFCCVEGCSA-N 1 1 338.412 1.038 20 5 EDBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCSC1 ZINC000270565468 536174330 /nfs/dbraw/zinc/17/43/30/536174330.db2.gz YXSZJSFINHUDIH-SECBINFHSA-N 1 1 339.373 1.699 20 5 EDBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCSC1 ZINC000270565468 536174333 /nfs/dbraw/zinc/17/43/33/536174333.db2.gz YXSZJSFINHUDIH-SECBINFHSA-N 1 1 339.373 1.699 20 5 EDBDMO C[C@H]1C[C@H](C)[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000740881573 579388015 /nfs/dbraw/zinc/38/80/15/579388015.db2.gz BVPWEYLRUVZAKS-GJZGRUSLSA-N 1 1 346.431 1.974 20 5 EDBDMO C[NH+]1CCC2(CCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000742183027 579438438 /nfs/dbraw/zinc/43/84/38/579438438.db2.gz ALGVHNOCRYTMBN-UHFFFAOYSA-N 1 1 329.360 1.781 20 5 EDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000730085222 578612957 /nfs/dbraw/zinc/61/29/57/578612957.db2.gz DNSYGQHQOBQTBJ-GFCCVEGCSA-N 1 1 341.795 1.777 20 5 EDBDMO NC(=[NH+]O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000732570028 578718944 /nfs/dbraw/zinc/71/89/44/578718944.db2.gz FTEQINWOQBTQOR-AWEZNQCLSA-N 1 1 348.359 1.625 20 5 EDBDMO C[C@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000736026760 578947821 /nfs/dbraw/zinc/94/78/21/578947821.db2.gz QSGCVYZIRQFEFB-LLVKDONJSA-N 1 1 347.379 1.155 20 5 EDBDMO C/C(=C\C(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000752268582 579843895 /nfs/dbraw/zinc/84/38/95/579843895.db2.gz DWLMXOVHZLLHOQ-QSOAKEGCSA-N 1 1 332.404 1.360 20 5 EDBDMO Cc1[nH+]ccn1CCCOC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000763107874 580093050 /nfs/dbraw/zinc/09/30/50/580093050.db2.gz GDTOHMOZFDBLLA-UHFFFAOYSA-N 1 1 346.343 1.463 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000768840271 580221944 /nfs/dbraw/zinc/22/19/44/580221944.db2.gz BPVUERQGPZRWMJ-ZJUUUORDSA-N 1 1 336.348 1.976 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000768840271 580221945 /nfs/dbraw/zinc/22/19/45/580221945.db2.gz BPVUERQGPZRWMJ-ZJUUUORDSA-N 1 1 336.348 1.976 20 5 EDBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)C[NH+]1CCOCC1)CC2 ZINC000773997534 580351400 /nfs/dbraw/zinc/35/14/00/580351400.db2.gz SRUSPYRWRDZNTQ-CYBMUJFWSA-N 1 1 333.388 1.761 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000776591110 580422951 /nfs/dbraw/zinc/42/29/51/580422951.db2.gz ATNROOZTTGRTNE-ZWKOTPCHSA-N 1 1 348.447 1.340 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(c3ccc(F)cn3)CC2)cc1 ZINC000776604332 580423946 /nfs/dbraw/zinc/42/39/46/580423946.db2.gz BZUOGSDRYCYPGG-INIZCTEOSA-N 1 1 346.362 1.985 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000778290129 580461007 /nfs/dbraw/zinc/46/10/07/580461007.db2.gz RVMLZMVZTHWLCT-WPRPVWTQSA-N 1 1 335.389 1.812 20 5 EDBDMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000780866559 580535846 /nfs/dbraw/zinc/53/58/46/580535846.db2.gz RMDUZVBOCLXJCP-CYBMUJFWSA-N 1 1 341.433 1.541 20 5 EDBDMO C[N@H+]1CCC[C@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781611072 580553280 /nfs/dbraw/zinc/55/32/80/580553280.db2.gz WYCCFCZMMOUTRK-ZDUSSCGKSA-N 1 1 336.348 1.646 20 5 EDBDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000785734139 580651658 /nfs/dbraw/zinc/65/16/58/580651658.db2.gz QKAXVEANNLIKBT-RYUDHWBXSA-N 1 1 335.360 1.949 20 5 EDBDMO CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000787964056 580711707 /nfs/dbraw/zinc/71/17/07/580711707.db2.gz VYSDAJBGKHBDSI-AWEZNQCLSA-N 1 1 341.339 1.802 20 5 EDBDMO C[N@@H+]1C[C@H]2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000893937864 591143371 /nfs/dbraw/zinc/14/33/71/591143371.db2.gz AZRSRJRBACUROY-YGRLFVJLSA-N 1 1 325.390 1.139 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000893937864 591143373 /nfs/dbraw/zinc/14/33/73/591143373.db2.gz AZRSRJRBACUROY-YGRLFVJLSA-N 1 1 325.390 1.139 20 5 EDBDMO C[C@@H](NC(=O)N1CCN(C)CC[N@@H+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000894017112 591167572 /nfs/dbraw/zinc/16/75/72/591167572.db2.gz XGDBUZGUNXXFQY-CQSZACIVSA-N 1 1 349.435 1.545 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1C ZINC000896212976 591390057 /nfs/dbraw/zinc/39/00/57/591390057.db2.gz RKAMUZOSTYNUQF-ZBFHGGJFSA-N 1 1 347.415 1.883 20 5 EDBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000894957676 591491756 /nfs/dbraw/zinc/49/17/56/591491756.db2.gz HRYDSXJWCOJJAW-UHFFFAOYSA-N 1 1 343.387 1.353 20 5 EDBDMO O=[N+]([O-])c1cc(CO)c(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1F ZINC000897219252 591773456 /nfs/dbraw/zinc/77/34/56/591773456.db2.gz JXOGDRFJRJVHJA-KGLIPLIRSA-N 1 1 339.367 1.262 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)n1 ZINC000908571576 592543859 /nfs/dbraw/zinc/54/38/59/592543859.db2.gz YHPDXBGTPWJDJV-UHFFFAOYSA-N 1 1 335.408 1.902 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000908573491 592544711 /nfs/dbraw/zinc/54/47/11/592544711.db2.gz MOJYRWJMRBVTGD-UHFFFAOYSA-N 1 1 335.408 1.577 20 5 EDBDMO CC[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736568991 593018301 /nfs/dbraw/zinc/01/83/01/593018301.db2.gz GYKFCBRIYLLPJE-JTQLQIEISA-N 1 1 332.368 1.456 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000838906119 593229590 /nfs/dbraw/zinc/22/95/90/593229590.db2.gz DTUPRLMZDHPSBP-IYBDPMFKSA-N 1 1 334.372 1.934 20 5 EDBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)OCCC[NH+]1CCOCC1 ZINC000808561738 593268640 /nfs/dbraw/zinc/26/86/40/593268640.db2.gz NKVFJKAHDHWTGN-UHFFFAOYSA-N 1 1 344.314 1.681 20 5 EDBDMO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839719295 593373763 /nfs/dbraw/zinc/37/37/63/593373763.db2.gz OWHHUQXNVOBTOM-IAGOWNOFSA-N 1 1 347.415 1.485 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@H](n3cccn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000812294005 593494832 /nfs/dbraw/zinc/49/48/32/593494832.db2.gz CJNNXHZONUYOHU-LBPRGKRZSA-N 1 1 327.348 1.749 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@H](n3cccn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000812294005 593494833 /nfs/dbraw/zinc/49/48/33/593494833.db2.gz CJNNXHZONUYOHU-LBPRGKRZSA-N 1 1 327.348 1.749 20 5 EDBDMO COCC(COC)[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000840356924 593690291 /nfs/dbraw/zinc/69/02/91/593690291.db2.gz DKKZEHOBEXXYTE-UHFFFAOYSA-N 1 1 349.391 1.026 20 5 EDBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H](n4ccnn4)C3)c2c1 ZINC000819896003 593774974 /nfs/dbraw/zinc/77/49/74/593774974.db2.gz DHSWDMFABOLIKS-AWEZNQCLSA-N 1 1 327.348 1.831 20 5 EDBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@H](n4ccnn4)C3)c2c1 ZINC000819896003 593774975 /nfs/dbraw/zinc/77/49/75/593774975.db2.gz DHSWDMFABOLIKS-AWEZNQCLSA-N 1 1 327.348 1.831 20 5 EDBDMO CC(C)C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820091788 593790082 /nfs/dbraw/zinc/79/00/82/593790082.db2.gz AHXDFKINHCSNSC-LLVKDONJSA-N 1 1 346.395 1.560 20 5 EDBDMO C[NH+]1CCN(CC2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000820459256 593820218 /nfs/dbraw/zinc/82/02/18/593820218.db2.gz NLVWBDLQQRXTTC-QPJJXVBHSA-N 1 1 344.415 1.314 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC000823150114 594160904 /nfs/dbraw/zinc/16/09/04/594160904.db2.gz UHYFOSMKZYWMOV-UHFFFAOYSA-N 1 1 346.431 1.531 20 5 EDBDMO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC12COC2 ZINC000830273908 594366612 /nfs/dbraw/zinc/36/66/12/594366612.db2.gz ABEFKOVCTCOWPK-LBPRGKRZSA-N 1 1 338.335 1.745 20 5 EDBDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC12COC2 ZINC000830273908 594366613 /nfs/dbraw/zinc/36/66/13/594366613.db2.gz ABEFKOVCTCOWPK-LBPRGKRZSA-N 1 1 338.335 1.745 20 5 EDBDMO COc1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])cc1OC ZINC000829010407 594547954 /nfs/dbraw/zinc/54/79/54/594547954.db2.gz ZUUOGJDHXOXOTR-TXEJJXNPSA-N 1 1 337.376 1.887 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826724425 594564483 /nfs/dbraw/zinc/56/44/83/594564483.db2.gz JRVBYCOACXHVAH-OAHLLOKOSA-N 1 1 343.387 1.793 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826724425 594564485 /nfs/dbraw/zinc/56/44/85/594564485.db2.gz JRVBYCOACXHVAH-OAHLLOKOSA-N 1 1 343.387 1.793 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CC[C@H]21 ZINC000827328291 594661464 /nfs/dbraw/zinc/66/14/64/594661464.db2.gz DPIKTAJALZKQFG-BXUZGUMPSA-N 1 1 347.371 1.532 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@@H]21 ZINC000827358121 594664487 /nfs/dbraw/zinc/66/44/87/594664487.db2.gz WIAHUQRDCYYLSP-YPMHNXCESA-N 1 1 347.371 1.532 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000831723190 594696237 /nfs/dbraw/zinc/69/62/37/594696237.db2.gz LFZVQJLNKVWPGM-YGRLFVJLSA-N 1 1 338.795 1.823 20 5 EDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000843779040 595184028 /nfs/dbraw/zinc/18/40/28/595184028.db2.gz NOWYSJBOPJMDGT-VXGBXAGGSA-N 1 1 337.351 1.635 20 5 EDBDMO O=C1O[C@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1C1CC1 ZINC000844274666 595315274 /nfs/dbraw/zinc/31/52/74/595315274.db2.gz XJTLMHIJCWABGH-CQSZACIVSA-N 1 1 346.387 1.700 20 5 EDBDMO C[N@H+]1CC[C@H](CCOC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000847825202 595488777 /nfs/dbraw/zinc/48/87/77/595488777.db2.gz BWKNCGLMYXGCIM-LLVKDONJSA-N 1 1 336.344 1.865 20 5 EDBDMO C[S@](=O)CC[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000845492886 595506893 /nfs/dbraw/zinc/50/68/93/595506893.db2.gz HRXNTICUZWTGNQ-DEOSSOPVSA-N 1 1 348.428 1.644 20 5 EDBDMO CCN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H]1CC[N@@H+](C)C1 ZINC000855359705 595684549 /nfs/dbraw/zinc/68/45/49/595684549.db2.gz AMKICFRYHSJIGE-MLGOLLRUSA-N 1 1 346.387 1.640 20 5 EDBDMO CNC(=O)CCC[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853503298 595772287 /nfs/dbraw/zinc/77/22/87/595772287.db2.gz GJKYLBRYSRSSDD-UHFFFAOYSA-N 1 1 332.364 1.269 20 5 EDBDMO CNC(=O)CCC[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853503298 595772289 /nfs/dbraw/zinc/77/22/89/595772289.db2.gz GJKYLBRYSRSSDD-UHFFFAOYSA-N 1 1 332.364 1.269 20 5 EDBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)nc1-c1ccccn1 ZINC000853590197 595818946 /nfs/dbraw/zinc/81/89/46/595818946.db2.gz SSRXMTKQEVFWHF-STQMWFEESA-N 1 1 329.360 1.779 20 5 EDBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@H]3COC[C@@H]3C2)nc1-c1ccccn1 ZINC000853590197 595818950 /nfs/dbraw/zinc/81/89/50/595818950.db2.gz SSRXMTKQEVFWHF-STQMWFEESA-N 1 1 329.360 1.779 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCS(=O)(=O)C1CC1 ZINC000850473962 595840689 /nfs/dbraw/zinc/84/06/89/595840689.db2.gz JKSDZFXAAJAQLC-SNVBAGLBSA-N 1 1 328.390 1.831 20 5 EDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@@H+]1CCO ZINC000860993116 595857908 /nfs/dbraw/zinc/85/79/08/595857908.db2.gz CTELTMZVVSRSDS-ZDUSSCGKSA-N 1 1 343.383 1.887 20 5 EDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@H+]1CCO ZINC000860993116 595857911 /nfs/dbraw/zinc/85/79/11/595857911.db2.gz CTELTMZVVSRSDS-ZDUSSCGKSA-N 1 1 343.383 1.887 20 5 EDBDMO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118123074 595930469 /nfs/dbraw/zinc/93/04/69/595930469.db2.gz CTEJOFXKHOFTRA-UHFFFAOYSA-N 1 1 342.783 1.643 20 5 EDBDMO COC(=O)c1ccnc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000856746713 596070081 /nfs/dbraw/zinc/07/00/81/596070081.db2.gz VZMWUMQTASWFQP-LLVKDONJSA-N 1 1 345.359 1.894 20 5 EDBDMO CC1([NH+]2CCOCC2)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000859775937 596194460 /nfs/dbraw/zinc/19/44/60/596194460.db2.gz MERDBHWDDDYUOV-QGZVFWFLSA-N 1 1 349.431 1.815 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)Cn2c[nH+]cc2C)c1 ZINC000859946998 596232100 /nfs/dbraw/zinc/23/21/00/596232100.db2.gz XMVCJWWRBHSZGZ-UHFFFAOYSA-N 1 1 333.300 1.630 20 5 EDBDMO NC(=O)c1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)c([N+](=O)[O-])c1 ZINC000852721846 596232915 /nfs/dbraw/zinc/23/29/15/596232915.db2.gz KMUQSAYPATUOCX-UHFFFAOYSA-N 1 1 348.359 1.110 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC000863318028 596549233 /nfs/dbraw/zinc/54/92/33/596549233.db2.gz SFRJDQMGFKWYIM-SNVBAGLBSA-N 1 1 327.768 1.353 20 5 EDBDMO CC[NH2+][C@H](C)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000863672479 596653383 /nfs/dbraw/zinc/65/33/83/596653383.db2.gz HOABUJAGIQDIAG-SNVBAGLBSA-N 1 1 333.348 1.507 20 5 EDBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)N1CCN(C)CC1 ZINC000866259323 596840411 /nfs/dbraw/zinc/84/04/11/596840411.db2.gz AMMGLNWOUCPUDK-KGLIPLIRSA-N 1 1 338.427 1.890 20 5 EDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000876728821 597310128 /nfs/dbraw/zinc/31/01/28/597310128.db2.gz WULAQLBMKSKGDR-SUMWQHHRSA-N 1 1 334.420 1.569 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]21 ZINC000877744424 597552433 /nfs/dbraw/zinc/55/24/33/597552433.db2.gz STTFCSPIXVKYGP-BLLLJJGKSA-N 1 1 333.388 1.987 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000878380568 597598543 /nfs/dbraw/zinc/59/85/43/597598543.db2.gz BCPIHLDOIHZMBG-INIZCTEOSA-N 1 1 334.351 1.832 20 5 EDBDMO COc1ccc([C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCN2)cc1 ZINC000879520617 597615074 /nfs/dbraw/zinc/61/50/74/597615074.db2.gz GXKBIJPOEYURMF-HNNXBMFYSA-N 1 1 331.376 1.446 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879575780 597638680 /nfs/dbraw/zinc/63/86/80/597638680.db2.gz OVVBMZDGWFNTHX-ZFWWWQNUSA-N 1 1 332.404 1.949 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878640006 597664096 /nfs/dbraw/zinc/66/40/96/597664096.db2.gz BSRUSUUHBGCGCX-FZMZJTMJSA-N 1 1 329.360 1.781 20 5 EDBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000132368629 597834871 /nfs/dbraw/zinc/83/48/71/597834871.db2.gz GIYLVLZREZWBFQ-NSHDSACASA-N 1 1 345.396 1.662 20 5 EDBDMO CCOc1cc(C(=O)NC[C@@H]2CC[N@H+]2CC)c([N+](=O)[O-])cc1OC ZINC000882479683 597970714 /nfs/dbraw/zinc/97/07/14/597970714.db2.gz CCFDOLUAKWYKOA-NSHDSACASA-N 1 1 337.376 1.826 20 5 EDBDMO CC[N@H+]1CC[C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000882959420 598117149 /nfs/dbraw/zinc/11/71/49/598117149.db2.gz FNRTYZMJNBDLLQ-HNNXBMFYSA-N 1 1 334.420 1.933 20 5 EDBDMO CC(=O)OC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000153244583 695586035 /nfs/dbraw/zinc/58/60/35/695586035.db2.gz YUPCPCWWLFNIIT-LLVKDONJSA-N 1 1 335.360 1.949 20 5 EDBDMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153782794 696602900 /nfs/dbraw/zinc/60/29/00/696602900.db2.gz STFQIJRNHQHGGX-HOTGVXAUSA-N 1 1 335.404 1.961 20 5 EDBDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153782794 696602903 /nfs/dbraw/zinc/60/29/03/696602903.db2.gz STFQIJRNHQHGGX-HOTGVXAUSA-N 1 1 335.404 1.961 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000917655899 697056006 /nfs/dbraw/zinc/05/60/06/697056006.db2.gz UKIHXHYYJUVVNC-QWHCGFSZSA-N 1 1 339.417 1.808 20 5 EDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000917654361 697059192 /nfs/dbraw/zinc/05/91/92/697059192.db2.gz FPLHLGIEIYPVLK-VXGBXAGGSA-N 1 1 325.390 1.500 20 5 EDBDMO O=C1N(C[N@@H+]2CC[C@@]3(CCOC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154783737 697194926 /nfs/dbraw/zinc/19/49/26/697194926.db2.gz XBZNYDAWVILXPP-QGZVFWFLSA-N 1 1 346.387 1.907 20 5 EDBDMO O=C1N(C[N@H+]2CC[C@@]3(CCOC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154783737 697194927 /nfs/dbraw/zinc/19/49/27/697194927.db2.gz XBZNYDAWVILXPP-QGZVFWFLSA-N 1 1 346.387 1.907 20 5 EDBDMO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)cnn1 ZINC001031634074 697377816 /nfs/dbraw/zinc/37/78/16/697377816.db2.gz KXNCWQOKUAENEP-UHFFFAOYSA-N 1 1 341.371 1.555 20 5 EDBDMO CCn1ccnc1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031636013 697383470 /nfs/dbraw/zinc/38/34/70/697383470.db2.gz KJOWQLCPBYBKEJ-UHFFFAOYSA-N 1 1 343.387 1.673 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1csnn1 ZINC001031880967 700502143 /nfs/dbraw/zinc/50/21/43/700502143.db2.gz AFXFPEXKKPILOK-UHFFFAOYSA-N 1 1 333.373 1.308 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000996429340 702783363 /nfs/dbraw/zinc/78/33/63/702783363.db2.gz QCTLABZFYNCDIG-TZMCWYRMSA-N 1 1 338.795 1.481 20 5 EDBDMO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1cccnn1 ZINC001003828243 710639911 /nfs/dbraw/zinc/63/99/11/710639911.db2.gz WNGTUVXXKZKIAZ-UHFFFAOYSA-N 1 1 341.371 1.779 20 5 EDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000060510905 214641092 /nfs/dbraw/zinc/64/10/92/214641092.db2.gz WMWWLXQCQIXIAY-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000060510905 214641096 /nfs/dbraw/zinc/64/10/96/214641096.db2.gz WMWWLXQCQIXIAY-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1(CO)CC1 ZINC000186812066 529837991 /nfs/dbraw/zinc/83/79/91/529837991.db2.gz PBYHDLLWUKJWSL-UHFFFAOYSA-N 1 1 327.768 1.891 20 5 EDBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1(CO)CC1 ZINC000186812066 529837992 /nfs/dbraw/zinc/83/79/92/529837992.db2.gz PBYHDLLWUKJWSL-UHFFFAOYSA-N 1 1 327.768 1.891 20 5 EDBDMO CCC[C@H]1CN(c2c([N+](=O)[O-])c(CC)nn2C)CC[N@H+]1CCOC ZINC000091680756 138284477 /nfs/dbraw/zinc/28/44/77/138284477.db2.gz OWDJPOVWGXMAGI-ZDUSSCGKSA-N 1 1 339.440 1.828 20 5 EDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090461706 138278832 /nfs/dbraw/zinc/27/88/32/138278832.db2.gz XTTXKBAOSSQDDN-GUFYHEMZSA-N 1 1 345.399 1.978 20 5 EDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090461706 138278833 /nfs/dbraw/zinc/27/88/33/138278833.db2.gz XTTXKBAOSSQDDN-GUFYHEMZSA-N 1 1 345.399 1.978 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCn1cccn1 ZINC000111284303 138308221 /nfs/dbraw/zinc/30/82/21/138308221.db2.gz KDNPQZDXSWIZLJ-GFCCVEGCSA-N 1 1 347.375 1.759 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCn1cccn1 ZINC000111284303 138308222 /nfs/dbraw/zinc/30/82/22/138308222.db2.gz KDNPQZDXSWIZLJ-GFCCVEGCSA-N 1 1 347.375 1.759 20 5 EDBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183415767 138784148 /nfs/dbraw/zinc/78/41/48/138784148.db2.gz IGPYGOXLZDDPMZ-UHFFFAOYSA-N 1 1 339.315 1.713 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000565071679 306374639 /nfs/dbraw/zinc/37/46/39/306374639.db2.gz WVOSRFPPPWRCNM-LBPRGKRZSA-N 1 1 344.371 1.987 20 5 EDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041890012 201095277 /nfs/dbraw/zinc/09/52/77/201095277.db2.gz IUIGXYIMEMZMMS-NSHDSACASA-N 1 1 332.360 1.134 20 5 EDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000109848883 219998189 /nfs/dbraw/zinc/99/81/89/219998189.db2.gz MWADQMUUQDNDBJ-ZDUSSCGKSA-N 1 1 332.404 1.877 20 5 EDBDMO COCCC[N@@H+](CCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000189870213 138881923 /nfs/dbraw/zinc/88/19/23/138881923.db2.gz JRHZFFDWONNMCL-UHFFFAOYSA-N 1 1 339.392 1.563 20 5 EDBDMO CC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000076419908 203353673 /nfs/dbraw/zinc/35/36/73/203353673.db2.gz ULFPCDOTYKDOJB-CQSZACIVSA-N 1 1 334.376 1.442 20 5 EDBDMO CC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000076419908 203353676 /nfs/dbraw/zinc/35/36/76/203353676.db2.gz ULFPCDOTYKDOJB-CQSZACIVSA-N 1 1 334.376 1.442 20 5 EDBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000108781751 204271648 /nfs/dbraw/zinc/27/16/48/204271648.db2.gz JSLCGVZANYXCNB-ZDUSSCGKSA-N 1 1 333.388 1.964 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000245526998 139078027 /nfs/dbraw/zinc/07/80/27/139078027.db2.gz PQRDEANXWWPLOO-VXGBXAGGSA-N 1 1 327.406 1.588 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000245526998 139078028 /nfs/dbraw/zinc/07/80/28/139078028.db2.gz PQRDEANXWWPLOO-VXGBXAGGSA-N 1 1 327.406 1.588 20 5 EDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000156282310 206068545 /nfs/dbraw/zinc/06/85/45/206068545.db2.gz AXPMUABSQXDLEN-XUJLQICISA-N 1 1 338.404 1.817 20 5 EDBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248455252 139164684 /nfs/dbraw/zinc/16/46/84/139164684.db2.gz KVKGKRZYMWSLEG-HIFRSBDPSA-N 1 1 349.387 1.078 20 5 EDBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248455252 139164685 /nfs/dbraw/zinc/16/46/85/139164685.db2.gz KVKGKRZYMWSLEG-HIFRSBDPSA-N 1 1 349.387 1.078 20 5 EDBDMO CC[C@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000248740741 139174031 /nfs/dbraw/zinc/17/40/31/139174031.db2.gz DIDHQMQCYDYFEN-KBPBESRZSA-N 1 1 335.404 1.820 20 5 EDBDMO CC[C@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000248740741 139174032 /nfs/dbraw/zinc/17/40/32/139174032.db2.gz DIDHQMQCYDYFEN-KBPBESRZSA-N 1 1 335.404 1.820 20 5 EDBDMO Cc1c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249199646 139189039 /nfs/dbraw/zinc/18/90/39/139189039.db2.gz QRPFDAJFKRXXBK-AAEUAGOBSA-N 1 1 348.403 1.783 20 5 EDBDMO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1 ZINC000261993445 139242475 /nfs/dbraw/zinc/24/24/75/139242475.db2.gz PFICJGPNRXBMFX-CQSZACIVSA-N 1 1 343.387 1.975 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000174869767 207067656 /nfs/dbraw/zinc/06/76/56/207067656.db2.gz SWWHSTONGQIDMY-CYBMUJFWSA-N 1 1 341.375 1.714 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175390353 207124172 /nfs/dbraw/zinc/12/41/72/207124172.db2.gz JXZKNVMXJAHSEG-LBPRGKRZSA-N 1 1 327.406 1.700 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000175822532 207163208 /nfs/dbraw/zinc/16/32/08/207163208.db2.gz YXGPLCZJNRTFGP-GFCCVEGCSA-N 1 1 343.405 1.366 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000176054453 207186300 /nfs/dbraw/zinc/18/63/00/207186300.db2.gz XNPJQBVUDRFDQR-LLVKDONJSA-N 1 1 345.396 1.805 20 5 EDBDMO COC[C@@](C)(CCO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177404755 207333608 /nfs/dbraw/zinc/33/36/08/207333608.db2.gz GWNFTGXWLKGAMK-OAHLLOKOSA-N 1 1 336.348 1.522 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424289807 252190208 /nfs/dbraw/zinc/19/02/08/252190208.db2.gz CIESGDOCHANRIZ-CHWSQXEVSA-N 1 1 336.392 1.792 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1N ZINC000424289807 252190210 /nfs/dbraw/zinc/19/02/10/252190210.db2.gz CIESGDOCHANRIZ-CHWSQXEVSA-N 1 1 336.392 1.792 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425808450 252311105 /nfs/dbraw/zinc/31/11/05/252311105.db2.gz HKPCYSMUQVFTRW-SWLSCSKDSA-N 1 1 346.387 1.394 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000493460729 255209849 /nfs/dbraw/zinc/20/98/49/255209849.db2.gz MQMUJUQELLOBTD-BMWLXYDHSA-N 1 1 347.371 1.171 20 5 EDBDMO NC(=O)NC(=O)OCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000494487407 255252595 /nfs/dbraw/zinc/25/25/95/255252595.db2.gz UPDJWZXVJCHBTR-UHFFFAOYSA-N 1 1 336.348 1.754 20 5 EDBDMO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000264292328 139394304 /nfs/dbraw/zinc/39/43/04/139394304.db2.gz XFRAEHGEIHWEAX-UHFFFAOYSA-N 1 1 349.366 1.969 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000270878459 140188686 /nfs/dbraw/zinc/18/86/86/140188686.db2.gz KYAIMNXEZTYANR-GXTWGEPZSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270878459 140188687 /nfs/dbraw/zinc/18/86/87/140188687.db2.gz KYAIMNXEZTYANR-GXTWGEPZSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270878459 140188689 /nfs/dbraw/zinc/18/86/89/140188689.db2.gz KYAIMNXEZTYANR-GXTWGEPZSA-N 1 1 343.387 1.958 20 5 EDBDMO COCCCOCC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000271470928 140300158 /nfs/dbraw/zinc/30/01/58/140300158.db2.gz CPQDBCHRKAEHPN-UHFFFAOYSA-N 1 1 325.365 1.179 20 5 EDBDMO COCCCOCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000271470928 140300160 /nfs/dbraw/zinc/30/01/60/140300160.db2.gz CPQDBCHRKAEHPN-UHFFFAOYSA-N 1 1 325.365 1.179 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000271683285 140333204 /nfs/dbraw/zinc/33/32/04/140333204.db2.gz CXZSVCDVZHFHPT-CYBMUJFWSA-N 1 1 327.406 1.151 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1F ZINC000271788722 140350349 /nfs/dbraw/zinc/35/03/49/140350349.db2.gz UKCSZYHMQJKXTR-SNVBAGLBSA-N 1 1 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/nfs/dbraw/zinc/19/21/59/155192159.db2.gz CTACZGAWFIXKKF-RDJZCZTQSA-N 1 1 346.387 1.696 20 5 EDBDMO CCn1ncnc1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355584916 150324983 /nfs/dbraw/zinc/32/49/83/150324983.db2.gz QFRNTXJDKQVMEC-LLVKDONJSA-N 1 1 332.364 1.713 20 5 EDBDMO COc1cc(OCC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000357384611 151014650 /nfs/dbraw/zinc/01/46/50/151014650.db2.gz FLPZGFYDWYYIJC-NEPJUHHUSA-N 1 1 337.376 1.581 20 5 EDBDMO CS(=O)(=O)c1cccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000357565157 151068762 /nfs/dbraw/zinc/06/87/62/151068762.db2.gz JZIWRXZXFUDHRA-SECBINFHSA-N 1 1 336.373 1.691 20 5 EDBDMO CS(=O)(=O)c1cccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-] ZINC000357565157 151068764 /nfs/dbraw/zinc/06/87/64/151068764.db2.gz JZIWRXZXFUDHRA-SECBINFHSA-N 1 1 336.373 1.691 20 5 EDBDMO C[NH+](C)Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1Cl ZINC000357942964 151205483 /nfs/dbraw/zinc/20/54/83/151205483.db2.gz KIWKMCGYMUHBCQ-UHFFFAOYSA-N 1 1 338.755 1.540 20 5 EDBDMO Cc1c(CNC(=O)NCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000358276335 151323767 /nfs/dbraw/zinc/32/37/67/151323767.db2.gz RBHOQHLGKPORDB-UHFFFAOYSA-N 1 1 336.392 1.425 20 5 EDBDMO Cc1c([C@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000360847045 152227923 /nfs/dbraw/zinc/22/79/23/152227923.db2.gz GPJSSPLHTOOWKF-DZGCQCFKSA-N 1 1 334.380 1.031 20 5 EDBDMO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000361102627 152305413 /nfs/dbraw/zinc/30/54/13/152305413.db2.gz ABQSJCQBVLINDO-SMDDNHRTSA-N 1 1 329.360 1.589 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000370202992 155374609 /nfs/dbraw/zinc/37/46/09/155374609.db2.gz YVEXGYCWOGTLSN-CQSZACIVSA-N 1 1 335.404 1.758 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000370202992 155374614 /nfs/dbraw/zinc/37/46/14/155374614.db2.gz YVEXGYCWOGTLSN-CQSZACIVSA-N 1 1 335.404 1.758 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000363587772 153006946 /nfs/dbraw/zinc/00/69/46/153006946.db2.gz UMKNEFHDZXIFFJ-CQSZACIVSA-N 1 1 349.435 1.943 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000363587772 153006947 /nfs/dbraw/zinc/00/69/47/153006947.db2.gz UMKNEFHDZXIFFJ-CQSZACIVSA-N 1 1 349.435 1.943 20 5 EDBDMO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000367491932 154146268 /nfs/dbraw/zinc/14/62/68/154146268.db2.gz BDMLRKBUYCLCRM-QGZVFWFLSA-N 1 1 345.355 1.667 20 5 EDBDMO CO[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000371737628 156085422 /nfs/dbraw/zinc/08/54/22/156085422.db2.gz WAJDLKGTXWNAFB-HNNXBMFYSA-N 1 1 333.388 1.985 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cc1 ZINC000374180199 157182017 /nfs/dbraw/zinc/18/20/17/157182017.db2.gz ZDBIQMIQEGZEOY-GVDBMIGSSA-N 1 1 336.388 1.835 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000374534685 157320841 /nfs/dbraw/zinc/32/08/41/157320841.db2.gz NKWYWSKMUWTXCA-LBPRGKRZSA-N 1 1 347.375 1.980 20 5 EDBDMO COC(=O)[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000377986146 158048237 /nfs/dbraw/zinc/04/82/37/158048237.db2.gz DFDHINFWDBTHNN-CQSZACIVSA-N 1 1 349.387 1.689 20 5 EDBDMO COC(=O)[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000377986146 158048240 /nfs/dbraw/zinc/04/82/40/158048240.db2.gz DFDHINFWDBTHNN-CQSZACIVSA-N 1 1 349.387 1.689 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000378407550 158165653 /nfs/dbraw/zinc/16/56/53/158165653.db2.gz XTFJRCCYQFBNMH-OLZOCXBDSA-N 1 1 329.360 1.156 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000120716665 287364062 /nfs/dbraw/zinc/36/40/62/287364062.db2.gz WGLJCUYGTIASGO-OAHLLOKOSA-N 1 1 335.404 1.673 20 5 EDBDMO O=[N+]([O-])c1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)cs1 ZINC000122267171 222048475 /nfs/dbraw/zinc/04/84/75/222048475.db2.gz QJQGXQMWXJUWGH-UHFFFAOYSA-N 1 1 347.443 1.786 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000122585610 222117757 /nfs/dbraw/zinc/11/77/57/222117757.db2.gz IYRSXQMESQFOQE-AWEZNQCLSA-N 1 1 343.387 1.723 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000186942017 533685638 /nfs/dbraw/zinc/68/56/38/533685638.db2.gz AGWRGTMYQHXMDD-VXGBXAGGSA-N 1 1 346.387 1.603 20 5 EDBDMO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000273067722 273027343 /nfs/dbraw/zinc/02/73/43/273027343.db2.gz KAZZMIGJWDPSJR-JTQLQIEISA-N 1 1 333.348 1.378 20 5 EDBDMO CN1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O ZINC000275524989 268354571 /nfs/dbraw/zinc/35/45/71/268354571.db2.gz WGQRFOYWLGYFJK-ZDUSSCGKSA-N 1 1 338.339 1.225 20 5 EDBDMO Cc1c(NC(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000275797521 268373526 /nfs/dbraw/zinc/37/35/26/268373526.db2.gz CLQIDFDVOWIXQZ-GFCCVEGCSA-N 1 1 334.376 1.252 20 5 EDBDMO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 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GTAUKPWDIUAKDU-UHFFFAOYSA-N 1 1 339.417 1.319 20 5 EDBDMO CCOc1cc(N2CC[NH+](CCn3cncn3)CC2)ccc1[N+](=O)[O-] ZINC000280170762 273347665 /nfs/dbraw/zinc/34/76/65/273347665.db2.gz FZKCHVGTVMXVPB-UHFFFAOYSA-N 1 1 346.391 1.407 20 5 EDBDMO COC(=O)c1cc(N2CC[NH+]([C@H]3CCOC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000371109366 274000060 /nfs/dbraw/zinc/00/00/60/274000060.db2.gz VQDVCIDXKWKKOU-ZDUSSCGKSA-N 1 1 349.387 1.601 20 5 EDBDMO COC(=O)[C@]12C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]1CCCC2 ZINC000284902901 274380224 /nfs/dbraw/zinc/38/02/24/274380224.db2.gz UVSMVZNHGBAZLJ-CXAGYDPISA-N 1 1 349.387 1.422 20 5 EDBDMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000175087480 276167661 /nfs/dbraw/zinc/16/76/61/276167661.db2.gz OMYZTZSPOMAHSU-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000175087480 276167662 /nfs/dbraw/zinc/16/76/62/276167662.db2.gz OMYZTZSPOMAHSU-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCOCC2)n1 ZINC000287136668 288163855 /nfs/dbraw/zinc/16/38/55/288163855.db2.gz DMKYJSNZQACFES-NSHDSACASA-N 1 1 338.364 1.157 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CCOC)CC1 ZINC000289810163 288783406 /nfs/dbraw/zinc/78/34/06/288783406.db2.gz NYFBERHKRNXFAD-UHFFFAOYSA-N 1 1 336.392 1.953 20 5 EDBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@H](C)OC ZINC000291358951 289044205 /nfs/dbraw/zinc/04/42/05/289044205.db2.gz YOXWZWQMOFTWBO-JTQLQIEISA-N 1 1 339.348 1.619 20 5 EDBDMO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@H](C)OC ZINC000291358951 289044206 /nfs/dbraw/zinc/04/42/06/289044206.db2.gz YOXWZWQMOFTWBO-JTQLQIEISA-N 1 1 339.348 1.619 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000291957408 289225787 /nfs/dbraw/zinc/22/57/87/289225787.db2.gz NYOLHYRRIVFTAY-KRWDZBQOSA-N 1 1 348.403 1.841 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295347178 303207683 /nfs/dbraw/zinc/20/76/83/303207683.db2.gz NWJQQMKIGWUYPQ-YHWZYXNKSA-N 1 1 339.417 1.807 20 5 EDBDMO C[C@@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000296242091 303304117 /nfs/dbraw/zinc/30/41/17/303304117.db2.gz NMQGVGHRSZSOBA-YGRLFVJLSA-N 1 1 325.340 1.908 20 5 EDBDMO COCCOC[C@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000296874872 303344060 /nfs/dbraw/zinc/34/40/60/303344060.db2.gz WMOGZKKKQWXBGP-CYBMUJFWSA-N 1 1 332.784 1.704 20 5 EDBDMO COCCOC[C@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000296874872 303344063 /nfs/dbraw/zinc/34/40/63/303344063.db2.gz WMOGZKKKQWXBGP-CYBMUJFWSA-N 1 1 332.784 1.704 20 5 EDBDMO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@@H+]1C ZINC000297198204 303371462 /nfs/dbraw/zinc/37/14/62/303371462.db2.gz RENHISJUCAWEJT-RYUDHWBXSA-N 1 1 341.433 1.917 20 5 EDBDMO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@H+]1C ZINC000297198204 303371464 /nfs/dbraw/zinc/37/14/64/303371464.db2.gz 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O=C(NCC[N@H+]1CCCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000438681844 305188041 /nfs/dbraw/zinc/18/80/41/305188041.db2.gz PTAMEQDBPABBDU-UHFFFAOYSA-N 1 1 332.360 1.528 20 5 EDBDMO COC(=O)CC1(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000440763928 305212468 /nfs/dbraw/zinc/21/24/68/305212468.db2.gz LJPXTMSUQIMKDH-GFCCVEGCSA-N 1 1 334.376 1.819 20 5 EDBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)CN2CCCC2)n1 ZINC000447526476 305281481 /nfs/dbraw/zinc/28/14/81/305281481.db2.gz BTKIPBJLGHQBCZ-SOUVJXGZSA-N 1 1 337.424 1.321 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451293737 305336889 /nfs/dbraw/zinc/33/68/89/305336889.db2.gz BLFQURLQBUCQFI-DAXOMENPSA-N 1 1 336.388 1.965 20 5 EDBDMO COC[C@@]1(CO)CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451921952 305372640 /nfs/dbraw/zinc/37/26/40/305372640.db2.gz DGSSQYBYRRKQSQ-INIZCTEOSA-N 1 1 340.376 1.313 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000534135296 306003885 /nfs/dbraw/zinc/00/38/85/306003885.db2.gz ACFRRZDWWSRPFM-LBPRGKRZSA-N 1 1 349.309 1.800 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000534135296 306003886 /nfs/dbraw/zinc/00/38/86/306003886.db2.gz ACFRRZDWWSRPFM-LBPRGKRZSA-N 1 1 349.309 1.800 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000550131206 306150996 /nfs/dbraw/zinc/15/09/96/306150996.db2.gz FHQROUBHYSCTGU-UHFFFAOYSA-N 1 1 335.360 1.548 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000550131206 306150997 /nfs/dbraw/zinc/15/09/97/306150997.db2.gz FHQROUBHYSCTGU-UHFFFAOYSA-N 1 1 335.360 1.548 20 5 EDBDMO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000378497658 447436061 /nfs/dbraw/zinc/43/60/61/447436061.db2.gz OLCGYTCJCCMSEC-YPMHNXCESA-N 1 1 327.406 1.588 20 5 EDBDMO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000378497658 447436065 /nfs/dbraw/zinc/43/60/65/447436065.db2.gz OLCGYTCJCCMSEC-YPMHNXCESA-N 1 1 327.406 1.588 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046036531 441072601 /nfs/dbraw/zinc/07/26/01/441072601.db2.gz OOXKSCDKSYGYCI-GXTWGEPZSA-N 1 1 339.417 1.808 20 5 EDBDMO C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057711920 441130378 /nfs/dbraw/zinc/13/03/78/441130378.db2.gz PEBWUJHWSXZBPF-GFCCVEGCSA-N 1 1 343.387 1.993 20 5 EDBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1cnccn1 ZINC000080965576 441213253 /nfs/dbraw/zinc/21/32/53/441213253.db2.gz PCRFTLBJZHZZRP-UHFFFAOYSA-N 1 1 343.343 1.815 20 5 EDBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3nnc[nH]3)CC2)c2c(c1)COCO2 ZINC000083446387 441362098 /nfs/dbraw/zinc/36/20/98/441362098.db2.gz LRJQWQVYFYRTRF-UHFFFAOYSA-N 1 1 345.359 1.959 20 5 EDBDMO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090548830 441633762 /nfs/dbraw/zinc/63/37/62/441633762.db2.gz AJJRSVFSQMKSHG-AWEZNQCLSA-N 1 1 348.403 1.233 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000090615336 441639124 /nfs/dbraw/zinc/63/91/24/441639124.db2.gz NMSGNJOZJNICOU-HNNXBMFYSA-N 1 1 336.779 1.864 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000090615336 441639128 /nfs/dbraw/zinc/63/91/28/441639128.db2.gz NMSGNJOZJNICOU-HNNXBMFYSA-N 1 1 336.779 1.864 20 5 EDBDMO CCC[N@H+]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000114190360 441640561 /nfs/dbraw/zinc/64/05/61/441640561.db2.gz JDRXZNYWHVXWIY-UHFFFAOYSA-N 1 1 346.431 1.902 20 5 EDBDMO COc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000055668252 441660201 /nfs/dbraw/zinc/66/02/01/441660201.db2.gz ROTXRDAITRXLAZ-UHFFFAOYSA-N 1 1 349.387 1.780 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000042055550 441699697 /nfs/dbraw/zinc/69/96/97/441699697.db2.gz ZINWLBAJAMLWKV-ZIAGYGMSSA-N 1 1 346.387 1.585 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000173407642 441737397 /nfs/dbraw/zinc/73/73/97/441737397.db2.gz OHVHOJSQFFUOFY-LBPRGKRZSA-N 1 1 327.406 1.618 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000173407642 441737401 /nfs/dbraw/zinc/73/74/01/441737401.db2.gz OHVHOJSQFFUOFY-LBPRGKRZSA-N 1 1 327.406 1.618 20 5 EDBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000173429964 441747099 /nfs/dbraw/zinc/74/70/99/441747099.db2.gz CKCKOJXLANWXGE-UHFFFAOYSA-N 1 1 345.421 1.150 20 5 EDBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174857059 441975307 /nfs/dbraw/zinc/97/53/07/441975307.db2.gz YBQXDGMELAEPHA-LLVKDONJSA-N 1 1 327.385 1.636 20 5 EDBDMO Cc1c(CC(=O)NC[C@@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000124703455 441945793 /nfs/dbraw/zinc/94/57/93/441945793.db2.gz QCLDYJSPMNBCBC-CYBMUJFWSA-N 1 1 335.404 1.530 20 5 EDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000151095212 442005339 /nfs/dbraw/zinc/00/53/39/442005339.db2.gz ONKLPJLLPMTJMY-KRWDZBQOSA-N 1 1 347.415 1.897 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069711282 442021035 /nfs/dbraw/zinc/02/10/35/442021035.db2.gz RUWWOIIJJUDLFX-CQSZACIVSA-N 1 1 333.388 1.779 20 5 EDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000175360150 442048895 /nfs/dbraw/zinc/04/88/95/442048895.db2.gz DWFCNCXLEWFMAW-UHFFFAOYSA-N 1 1 345.421 1.614 20 5 EDBDMO C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000176892550 442268479 /nfs/dbraw/zinc/26/84/79/442268479.db2.gz YPIPFKGLFUWENE-NSHDSACASA-N 1 1 341.795 1.946 20 5 EDBDMO CN(C)c1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc[nH+]1 ZINC000153763022 442301688 /nfs/dbraw/zinc/30/16/88/442301688.db2.gz YIUXMPMCUDAVTE-UHFFFAOYSA-N 1 1 346.347 1.006 20 5 EDBDMO CCC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000130620426 442351581 /nfs/dbraw/zinc/35/15/81/442351581.db2.gz GDPMTEZYRHOMRL-CYBMUJFWSA-N 1 1 348.403 1.914 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000155119756 442376615 /nfs/dbraw/zinc/37/66/15/442376615.db2.gz GSOJQZKLSSXMNH-KBPBESRZSA-N 1 1 333.388 1.916 20 5 EDBDMO CC(C)[N@@H+](C)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000130768088 442355778 /nfs/dbraw/zinc/35/57/78/442355778.db2.gz MUHUBJZLPRANPF-UHFFFAOYSA-N 1 1 331.376 1.851 20 5 EDBDMO CCO[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000156058796 442444862 /nfs/dbraw/zinc/44/48/62/442444862.db2.gz NOJWCLLKDMRIGC-HNNXBMFYSA-N 1 1 333.388 1.985 20 5 EDBDMO CCO[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000156058796 442444864 /nfs/dbraw/zinc/44/48/64/442444864.db2.gz NOJWCLLKDMRIGC-HNNXBMFYSA-N 1 1 333.388 1.985 20 5 EDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](CO)C(C)(C)C ZINC000134372343 442474787 /nfs/dbraw/zinc/47/47/87/442474787.db2.gz YYLONJXBNPMYSA-OAHLLOKOSA-N 1 1 335.404 1.823 20 5 EDBDMO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1cccc(OC)c1 ZINC000172720060 442526267 /nfs/dbraw/zinc/52/62/67/442526267.db2.gz KATMYFYFOORLQB-UHFFFAOYSA-N 1 1 347.375 1.761 20 5 EDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1cccc(OC)c1 ZINC000172720060 442526269 /nfs/dbraw/zinc/52/62/69/442526269.db2.gz KATMYFYFOORLQB-UHFFFAOYSA-N 1 1 347.375 1.761 20 5 EDBDMO C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000135635289 442621073 /nfs/dbraw/zinc/62/10/73/442621073.db2.gz FNAUTNIXCNVDKS-SECBINFHSA-N 1 1 335.389 1.556 20 5 EDBDMO C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000135635289 442621077 /nfs/dbraw/zinc/62/10/77/442621077.db2.gz FNAUTNIXCNVDKS-SECBINFHSA-N 1 1 335.389 1.556 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000186868107 442623103 /nfs/dbraw/zinc/62/31/03/442623103.db2.gz XGVPARRIUVHVPK-FZMZJTMJSA-N 1 1 337.376 1.635 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](CCO)C1CCCCC1 ZINC000182228137 442747891 /nfs/dbraw/zinc/74/78/91/442747891.db2.gz WYCJLYCOVQIJDY-HNNXBMFYSA-N 1 1 338.404 1.962 20 5 EDBDMO CC[NH+]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000182590798 442791668 /nfs/dbraw/zinc/79/16/68/442791668.db2.gz JQJBTXYRDKMILE-HNNXBMFYSA-N 1 1 332.360 1.252 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@H]2C1 ZINC000193655393 442764576 /nfs/dbraw/zinc/76/45/76/442764576.db2.gz ASMATBLOQXXEGE-TXEJJXNPSA-N 1 1 336.367 1.556 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+]2CCCC2)cc1C ZINC000193703689 442769462 /nfs/dbraw/zinc/76/94/62/442769462.db2.gz CIQDKIATOOMOSR-UHFFFAOYSA-N 1 1 327.406 1.586 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194158942 442854257 /nfs/dbraw/zinc/85/42/57/442854257.db2.gz NMUCDMHOUBCPES-GFCCVEGCSA-N 1 1 327.406 1.748 20 5 EDBDMO C[C@H](CO)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](C)O ZINC000248934066 442938888 /nfs/dbraw/zinc/93/88/88/442938888.db2.gz MWMMKVVMDXVHLD-OLZOCXBDSA-N 1 1 349.387 1.856 20 5 EDBDMO CCOC(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000194739580 442946048 /nfs/dbraw/zinc/94/60/48/442946048.db2.gz IVXTUSJIKLYRTC-CYBMUJFWSA-N 1 1 335.360 1.596 20 5 EDBDMO CCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000266044536 442998114 /nfs/dbraw/zinc/99/81/14/442998114.db2.gz WYISWBCIGAQSSZ-CQSZACIVSA-N 1 1 326.393 1.817 20 5 EDBDMO CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000249824089 443005612 /nfs/dbraw/zinc/00/56/12/443005612.db2.gz PAFVBYBQJKBLGO-OCCSQVGLSA-N 1 1 348.403 1.770 20 5 EDBDMO CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000249824089 443005620 /nfs/dbraw/zinc/00/56/20/443005620.db2.gz PAFVBYBQJKBLGO-OCCSQVGLSA-N 1 1 348.403 1.770 20 5 EDBDMO O=C(CCCC[NH+]1CCOCC1)NCCc1ccccc1[N+](=O)[O-] ZINC000266104194 443018861 /nfs/dbraw/zinc/01/88/61/443018861.db2.gz GLPYNADAGKXNLZ-UHFFFAOYSA-N 1 1 335.404 1.756 20 5 EDBDMO CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268528994 443022679 /nfs/dbraw/zinc/02/26/79/443022679.db2.gz HRQFVWXWYQFTEB-INIZCTEOSA-N 1 1 329.404 1.998 20 5 EDBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268528994 443022682 /nfs/dbraw/zinc/02/26/82/443022682.db2.gz HRQFVWXWYQFTEB-INIZCTEOSA-N 1 1 329.404 1.998 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268528994 443022683 /nfs/dbraw/zinc/02/26/83/443022683.db2.gz HRQFVWXWYQFTEB-INIZCTEOSA-N 1 1 329.404 1.998 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)O[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000190138846 443062940 /nfs/dbraw/zinc/06/29/40/443062940.db2.gz DXGVWNKSICRURG-YPMHNXCESA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000190138846 443062941 /nfs/dbraw/zinc/06/29/41/443062941.db2.gz DXGVWNKSICRURG-YPMHNXCESA-N 1 1 337.376 1.313 20 5 EDBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266242242 443071261 /nfs/dbraw/zinc/07/12/61/443071261.db2.gz WGCXCKZDROIRNK-CQSZACIVSA-N 1 1 327.406 1.451 20 5 EDBDMO NC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000266272212 443081708 /nfs/dbraw/zinc/08/17/08/443081708.db2.gz ZPGDZVJQINAMOE-NSHDSACASA-N 1 1 329.360 1.796 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000185239265 443167919 /nfs/dbraw/zinc/16/79/19/443167919.db2.gz NWWKARYUYIPSNX-UHFFFAOYSA-N 1 1 341.433 1.493 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000266582141 443175282 /nfs/dbraw/zinc/17/52/82/443175282.db2.gz XFJYSGYUIKHSTM-UHFFFAOYSA-N 1 1 338.408 1.705 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000266538137 443161223 /nfs/dbraw/zinc/16/12/23/443161223.db2.gz OXVJACBGBGBUQT-DOTOQJQBSA-N 1 1 330.388 1.717 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000185627092 443229590 /nfs/dbraw/zinc/22/95/90/443229590.db2.gz YHGUZARJFJJNID-CQSZACIVSA-N 1 1 349.435 1.420 20 5 EDBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000185434300 443199261 /nfs/dbraw/zinc/19/92/61/443199261.db2.gz GWFOSFLEPMNPND-OAHLLOKOSA-N 1 1 348.447 1.968 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000266713016 443216316 /nfs/dbraw/zinc/21/63/16/443216316.db2.gz FXVCHOPITOBRQZ-UHFFFAOYSA-N 1 1 330.348 1.682 20 5 EDBDMO CCCNC(=O)CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000411372516 319180022 /nfs/dbraw/zinc/18/00/22/319180022.db2.gz DIIQFGTZZHLXEE-CYBMUJFWSA-N 1 1 335.408 1.782 20 5 EDBDMO COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C)C1 ZINC000411899399 319211461 /nfs/dbraw/zinc/21/14/61/319211461.db2.gz BYAILXPWPOUIJP-LBPRGKRZSA-N 1 1 325.340 1.271 20 5 EDBDMO Cc1c(CC(=O)NC(C)(C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000413951731 319306266 /nfs/dbraw/zinc/30/62/66/319306266.db2.gz CDMXUPQEDHGXIT-UHFFFAOYSA-N 1 1 335.404 1.673 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000246150563 443273424 /nfs/dbraw/zinc/27/34/24/443273424.db2.gz KYZSLXUYQUAWLZ-DGCLKSJQSA-N 1 1 341.433 1.864 20 5 EDBDMO Cc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269669578 443388109 /nfs/dbraw/zinc/38/81/09/443388109.db2.gz JZQXJZXXMXPACP-AAEUAGOBSA-N 1 1 333.392 1.715 20 5 EDBDMO Cc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269669578 443388112 /nfs/dbraw/zinc/38/81/12/443388112.db2.gz JZQXJZXXMXPACP-AAEUAGOBSA-N 1 1 333.392 1.715 20 5 EDBDMO Cc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269669578 443388116 /nfs/dbraw/zinc/38/81/16/443388116.db2.gz JZQXJZXXMXPACP-AAEUAGOBSA-N 1 1 333.392 1.715 20 5 EDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000264678179 443371693 /nfs/dbraw/zinc/37/16/93/443371693.db2.gz KKLNQHLWZIKACR-LLVKDONJSA-N 1 1 338.433 1.292 20 5 EDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000264678179 443371698 /nfs/dbraw/zinc/37/16/98/443371698.db2.gz KKLNQHLWZIKACR-LLVKDONJSA-N 1 1 338.433 1.292 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000264810201 443434950 /nfs/dbraw/zinc/43/49/50/443434950.db2.gz ZUROQZVBJLWMCS-AWEZNQCLSA-N 1 1 347.419 1.145 20 5 EDBDMO CC[N@@H+]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272918404 443489363 /nfs/dbraw/zinc/48/93/63/443489363.db2.gz IATUHHRARJVTDH-UHFFFAOYSA-N 1 1 341.433 1.396 20 5 EDBDMO CC[N@H+]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272918404 443489369 /nfs/dbraw/zinc/48/93/69/443489369.db2.gz IATUHHRARJVTDH-UHFFFAOYSA-N 1 1 341.433 1.396 20 5 EDBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000278879662 443470719 /nfs/dbraw/zinc/47/07/19/443470719.db2.gz ONHPCIXUFVZOPP-UHFFFAOYSA-N 1 1 336.392 1.241 20 5 EDBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000278879662 443470722 /nfs/dbraw/zinc/47/07/22/443470722.db2.gz ONHPCIXUFVZOPP-UHFFFAOYSA-N 1 1 336.392 1.241 20 5 EDBDMO Cc1cc(Cl)c(S(=O)(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000267733626 443558691 /nfs/dbraw/zinc/55/86/91/443558691.db2.gz ZOFSMHMRPNWREQ-UHFFFAOYSA-N 1 1 347.824 1.929 20 5 EDBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000265185916 443562648 /nfs/dbraw/zinc/56/26/48/443562648.db2.gz HNHHCBYPLYBDTO-PVAVHDDUSA-N 1 1 338.404 1.960 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272264346 443573095 /nfs/dbraw/zinc/57/30/95/443573095.db2.gz BARKGLHAKFUWIK-NOZJJQNGSA-N 1 1 347.400 1.766 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272190624 443552673 /nfs/dbraw/zinc/55/26/73/443552673.db2.gz FHDWMJYWCADSTD-UHFFFAOYSA-N 1 1 339.348 1.022 20 5 EDBDMO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000444367456 320128156 /nfs/dbraw/zinc/12/81/56/320128156.db2.gz QYIDWKQUQIYJSQ-NSHDSACASA-N 1 1 339.367 1.651 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448876261 320164160 /nfs/dbraw/zinc/16/41/60/320164160.db2.gz XFQGPIXACLZOQA-UHFFFAOYSA-N 1 1 347.375 1.089 20 5 EDBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000276236448 443673801 /nfs/dbraw/zinc/67/38/01/443673801.db2.gz KIPABGPTEQSSQR-GFCCVEGCSA-N 1 1 330.344 1.549 20 5 EDBDMO CNc1nc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000456052607 320305695 /nfs/dbraw/zinc/30/56/95/320305695.db2.gz ZJFDGZCYBOXQDC-UHFFFAOYSA-N 1 1 335.408 1.883 20 5 EDBDMO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459820831 320350226 /nfs/dbraw/zinc/35/02/26/320350226.db2.gz FIGCRRYLLNDPKA-AQUOVQTQSA-N 1 1 343.767 1.579 20 5 EDBDMO O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000280257633 443684598 /nfs/dbraw/zinc/68/45/98/443684598.db2.gz OFMJGEMDZAZJJT-INIZCTEOSA-N 1 1 344.371 1.466 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286313396 443688753 /nfs/dbraw/zinc/68/87/53/443688753.db2.gz UCEPYURPHQZGBY-PBWFPOADSA-N 1 1 335.408 1.573 20 5 EDBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000276282106 443681523 /nfs/dbraw/zinc/68/15/23/443681523.db2.gz NBGAYIOPXLMKKW-JTQLQIEISA-N 1 1 332.364 1.459 20 5 EDBDMO CC(=O)N(C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000276430237 443703533 /nfs/dbraw/zinc/70/35/33/443703533.db2.gz LUTWQJQRFZQMSF-HNNXBMFYSA-N 1 1 348.403 1.232 20 5 EDBDMO CC(C)[N@@H+](CCOCCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000283762065 443710355 /nfs/dbraw/zinc/71/03/55/443710355.db2.gz NECYQQJAJYSHFP-UHFFFAOYSA-N 1 1 340.376 1.681 20 5 EDBDMO COC(=O)c1cnc(N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000276523686 443733731 /nfs/dbraw/zinc/73/37/31/443733731.db2.gz GQTXUYXSIYVLJW-UHFFFAOYSA-N 1 1 331.332 1.884 20 5 EDBDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298314222 443744546 /nfs/dbraw/zinc/74/45/46/443744546.db2.gz YTJZQKQVSIULJB-UHFFFAOYSA-N 1 1 328.756 1.255 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1(CO)CCC1 ZINC000298534519 443793903 /nfs/dbraw/zinc/79/39/03/443793903.db2.gz WTYPBFNJUXBFRE-UHFFFAOYSA-N 1 1 337.376 1.779 20 5 EDBDMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287616960 443750542 /nfs/dbraw/zinc/75/05/42/443750542.db2.gz YZJWRJSGFOTSDR-JTQLQIEISA-N 1 1 336.421 1.647 20 5 EDBDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285205081 443894241 /nfs/dbraw/zinc/89/42/41/443894241.db2.gz DGIAMHGTWARMHH-LLVKDONJSA-N 1 1 334.376 1.446 20 5 EDBDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285205081 443894246 /nfs/dbraw/zinc/89/42/46/443894246.db2.gz DGIAMHGTWARMHH-LLVKDONJSA-N 1 1 334.376 1.446 20 5 EDBDMO CC(C)n1cc([C@@]2(O)CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000285090409 443852835 /nfs/dbraw/zinc/85/28/35/443852835.db2.gz YNHNXDPHPIYOLM-QGZVFWFLSA-N 1 1 345.403 1.903 20 5 EDBDMO CNC(=O)[C@]1(C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000281263215 443863549 /nfs/dbraw/zinc/86/35/49/443863549.db2.gz VLUDAYSXNSNEJH-QGZVFWFLSA-N 1 1 348.403 1.690 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000299050212 443938374 /nfs/dbraw/zinc/93/83/74/443938374.db2.gz GUBJHHLMGJEAFU-ZIAGYGMSSA-N 1 1 325.390 1.500 20 5 EDBDMO C[N@H+]1CCC[C@@]2(CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293093765 443922708 /nfs/dbraw/zinc/92/27/08/443922708.db2.gz XGNLHINVCPQUSS-FUHWJXTLSA-N 1 1 349.431 1.752 20 5 EDBDMO CN1CCC[C@@]2(CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293093765 443922731 /nfs/dbraw/zinc/92/27/31/443922731.db2.gz XGNLHINVCPQUSS-FUHWJXTLSA-N 1 1 349.431 1.752 20 5 EDBDMO CN1CCC[C@@]2(CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293093765 443922736 /nfs/dbraw/zinc/92/27/36/443922736.db2.gz XGNLHINVCPQUSS-FUHWJXTLSA-N 1 1 349.431 1.752 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c1F ZINC000285300901 443933633 /nfs/dbraw/zinc/93/36/33/443933633.db2.gz PMTWFRVHHHESOS-KBPBESRZSA-N 1 1 337.351 1.587 20 5 EDBDMO COCCOCC[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000288790679 443983267 /nfs/dbraw/zinc/98/32/67/443983267.db2.gz KBXSBNDYYZAGNW-UHFFFAOYSA-N 1 1 328.365 1.577 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000299345789 444024120 /nfs/dbraw/zinc/02/41/20/444024120.db2.gz QQKGDICYWLOMQJ-CYBMUJFWSA-N 1 1 346.387 1.457 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000299539005 444074116 /nfs/dbraw/zinc/07/41/16/444074116.db2.gz UBEDWAMZBXRVSM-QWHCGFSZSA-N 1 1 337.424 1.726 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000285709784 444080680 /nfs/dbraw/zinc/08/06/80/444080680.db2.gz JESDDQOPKZCSIW-UONOGXRCSA-N 1 1 339.779 1.793 20 5 EDBDMO Cc1cc(OCC(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000285714427 444082538 /nfs/dbraw/zinc/08/25/38/444082538.db2.gz JJPNJHINONABGM-CVEARBPZSA-N 1 1 349.387 1.214 20 5 EDBDMO Cc1n[nH]c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000299581295 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20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000285885747 444141342 /nfs/dbraw/zinc/14/13/42/444141342.db2.gz SBHZMBBQMNSQER-UKRRQHHQSA-N 1 1 345.355 1.886 20 5 EDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000301179203 444152240 /nfs/dbraw/zinc/15/22/40/444152240.db2.gz HDEDHYQHTBEPQT-UHFFFAOYSA-N 1 1 347.419 1.433 20 5 EDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000301179203 444152244 /nfs/dbraw/zinc/15/22/44/444152244.db2.gz HDEDHYQHTBEPQT-UHFFFAOYSA-N 1 1 347.419 1.433 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000301258031 444158741 /nfs/dbraw/zinc/15/87/41/444158741.db2.gz ARDAYSRGLZUTMM-YPMHNXCESA-N 1 1 343.391 1.685 20 5 EDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289519666 444163729 /nfs/dbraw/zinc/16/37/29/444163729.db2.gz CFOTVXRKIUEGFG-SNVBAGLBSA-N 1 1 342.783 1.779 20 5 EDBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cn1 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20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@H+]1C ZINC000332661552 444525557 /nfs/dbraw/zinc/52/55/57/444525557.db2.gz OAVRBFVVNZQUNJ-STQMWFEESA-N 1 1 343.387 1.993 20 5 EDBDMO CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000338328092 444635649 /nfs/dbraw/zinc/63/56/49/444635649.db2.gz IRZXMUAEYTUPHY-CQSZACIVSA-N 1 1 335.360 1.443 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343972750 444703138 /nfs/dbraw/zinc/70/31/38/444703138.db2.gz OUOWTDFYZOSEDV-DGCLKSJQSA-N 1 1 327.406 1.664 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343972750 444703146 /nfs/dbraw/zinc/70/31/46/444703146.db2.gz OUOWTDFYZOSEDV-DGCLKSJQSA-N 1 1 327.406 1.664 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1Cc1ccccc1 ZINC000342588457 444759243 /nfs/dbraw/zinc/75/92/43/444759243.db2.gz BCRBDHWFEKTHMG-CQSZACIVSA-N 1 1 328.372 1.922 20 5 EDBDMO 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COc1cc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000353874196 445792351 /nfs/dbraw/zinc/79/23/51/445792351.db2.gz XURBFZDNMSVMNL-MWLCHTKSSA-N 1 1 344.389 1.277 20 5 EDBDMO COc1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c([N+](=O)[O-])cc1O ZINC000363414618 445793859 /nfs/dbraw/zinc/79/38/59/445793859.db2.gz PMNUEGNZQREDMO-MVWJERBFSA-N 1 1 335.360 1.408 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000363443834 445805842 /nfs/dbraw/zinc/80/58/42/445805842.db2.gz ZFJUSDDFFQCOJF-WBMJQRKESA-N 1 1 347.371 1.869 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000363443834 445805845 /nfs/dbraw/zinc/80/58/45/445805845.db2.gz ZFJUSDDFFQCOJF-WBMJQRKESA-N 1 1 347.371 1.869 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363660915 445865817 /nfs/dbraw/zinc/86/58/17/445865817.db2.gz OWLDCTZVFPWBFC-MRXNPFEDSA-N 1 1 346.431 1.755 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000361660578 445865846 /nfs/dbraw/zinc/86/58/46/445865846.db2.gz LCRGLBNSSJTVJZ-WCQYABFASA-N 1 1 338.360 1.207 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000361659227 445866410 /nfs/dbraw/zinc/86/64/10/445866410.db2.gz XXSBCYMZTRIKNN-VXGBXAGGSA-N 1 1 334.332 1.860 20 5 EDBDMO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000372936614 445931451 /nfs/dbraw/zinc/93/14/51/445931451.db2.gz XJFQSCYHSCSUOV-JKSUJKDBSA-N 1 1 333.388 1.574 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC000369061050 445902734 /nfs/dbraw/zinc/90/27/34/445902734.db2.gz DMTNOJKLNYCRSX-CQSZACIVSA-N 1 1 333.388 1.964 20 5 EDBDMO Cc1cc(OCC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000369066610 445908564 /nfs/dbraw/zinc/90/85/64/445908564.db2.gz SGSXAAFZMWEPSP-HIFRSBDPSA-N 1 1 349.387 1.261 20 5 EDBDMO Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)ncc1[N+](=O)[O-] ZINC000364887993 445965919 /nfs/dbraw/zinc/96/59/19/445965919.db2.gz LOSGUDRPDLIDIY-GUYCJALGSA-N 1 1 344.419 2.527 20 5 EDBDMO C[C@@H]1[C@H](C)N(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000356873343 446086384 /nfs/dbraw/zinc/08/63/84/446086384.db2.gz GZVQXOXYEOSYKW-NEPJUHHUSA-N 1 1 349.387 1.460 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@](O)(C4CC4)C3)n2)c1 ZINC000373277886 446138961 /nfs/dbraw/zinc/13/89/61/446138961.db2.gz JKMREEQCAIVUAZ-INIZCTEOSA-N 1 1 330.344 1.992 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@](O)(C4CC4)C3)n2)c1 ZINC000373277886 446138964 /nfs/dbraw/zinc/13/89/64/446138964.db2.gz JKMREEQCAIVUAZ-INIZCTEOSA-N 1 1 330.344 1.992 20 5 EDBDMO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000362024335 446160963 /nfs/dbraw/zinc/16/09/63/446160963.db2.gz JPDXSJHUTDWZSW-ZIAGYGMSSA-N 1 1 348.359 1.928 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351594516 446190441 /nfs/dbraw/zinc/19/04/41/446190441.db2.gz CWECPCFCAORALK-UHFFFAOYSA-N 1 1 338.339 1.225 20 5 EDBDMO C[N@@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)cc1 ZINC000362143964 446234592 /nfs/dbraw/zinc/23/45/92/446234592.db2.gz YZNQBMKNTJXALY-GDBMZVCRSA-N 1 1 347.350 1.492 20 5 EDBDMO C[N@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)cc1 ZINC000362143964 446234593 /nfs/dbraw/zinc/23/45/93/446234593.db2.gz YZNQBMKNTJXALY-GDBMZVCRSA-N 1 1 347.350 1.492 20 5 EDBDMO CCc1noc([C@@]2(O)CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366843631 446379562 /nfs/dbraw/zinc/37/95/62/446379562.db2.gz LVKPOCOAAAIAFC-MRXNPFEDSA-N 1 1 332.360 1.676 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000370672221 446379776 /nfs/dbraw/zinc/37/97/76/446379776.db2.gz CJAQCEOJYOQXRO-INIZCTEOSA-N 1 1 335.360 1.389 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000370672221 446379780 /nfs/dbraw/zinc/37/97/80/446379780.db2.gz CJAQCEOJYOQXRO-INIZCTEOSA-N 1 1 335.360 1.389 20 5 EDBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000365903356 446395444 /nfs/dbraw/zinc/39/54/44/446395444.db2.gz AOPHTKRTAYVFMN-GFCCVEGCSA-N 1 1 347.419 1.075 20 5 EDBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000365903356 446395448 /nfs/dbraw/zinc/39/54/48/446395448.db2.gz AOPHTKRTAYVFMN-GFCCVEGCSA-N 1 1 347.419 1.075 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420302912 446466459 /nfs/dbraw/zinc/46/64/59/446466459.db2.gz MSRWEVIJDTUZAY-HNNXBMFYSA-N 1 1 346.431 1.742 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411400886 446518658 /nfs/dbraw/zinc/51/86/58/446518658.db2.gz VRXXDSCSFATLHR-LBPRGKRZSA-N 1 1 334.376 1.394 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375042370 446537702 /nfs/dbraw/zinc/53/77/02/446537702.db2.gz SHQCEVZKVLLZLB-TZMCWYRMSA-N 1 1 339.417 1.618 20 5 EDBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000423621168 446610467 /nfs/dbraw/zinc/61/04/67/446610467.db2.gz XHUCBDTVKKTSFU-NSHDSACASA-N 1 1 331.332 1.113 20 5 EDBDMO O=C(CC[N@@H+]1CCC[C@@](F)(CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376559584 446575959 /nfs/dbraw/zinc/57/59/59/446575959.db2.gz XOAPGSLOSNWLOU-HNNXBMFYSA-N 1 1 325.340 1.720 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000411775151 446672308 /nfs/dbraw/zinc/67/23/08/446672308.db2.gz XCDXJUWDBGPJBN-HOTGVXAUSA-N 1 1 348.403 1.328 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1c[nH+]c2n1CCCC2 ZINC000376773423 446710948 /nfs/dbraw/zinc/71/09/48/446710948.db2.gz QJOGKKKCYZZKKJ-UHFFFAOYSA-N 1 1 330.344 1.823 20 5 EDBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000371243181 446711987 /nfs/dbraw/zinc/71/19/87/446711987.db2.gz SIHVAQSSLSJWEO-CQSZACIVSA-N 1 1 343.387 1.960 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000371243181 446711994 /nfs/dbraw/zinc/71/19/94/446711994.db2.gz SIHVAQSSLSJWEO-CQSZACIVSA-N 1 1 343.387 1.960 20 5 EDBDMO NS(=O)(=O)c1cccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000368297490 446766390 /nfs/dbraw/zinc/76/63/90/446766390.db2.gz FHUISIHXJNVWKY-QWRGUYRKSA-N 1 1 340.405 1.281 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000454128470 446786834 /nfs/dbraw/zinc/78/68/34/446786834.db2.gz BYNMOLNEOIZGRN-NSHDSACASA-N 1 1 338.364 1.134 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000454128470 446786839 /nfs/dbraw/zinc/78/68/39/446786839.db2.gz BYNMOLNEOIZGRN-NSHDSACASA-N 1 1 338.364 1.134 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000420775353 446811203 /nfs/dbraw/zinc/81/12/03/446811203.db2.gz ZTIKICUXCMJWDK-LLVKDONJSA-N 1 1 347.824 1.963 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](CO)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420928517 446899231 /nfs/dbraw/zinc/89/92/31/446899231.db2.gz AOPRJKQOZATDNP-NWDGAFQWSA-N 1 1 337.376 1.492 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420928517 446899239 /nfs/dbraw/zinc/89/92/39/446899239.db2.gz AOPRJKQOZATDNP-NWDGAFQWSA-N 1 1 337.376 1.492 20 5 EDBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412108885 446864929 /nfs/dbraw/zinc/86/49/29/446864929.db2.gz NZGUHZHKEOHJMB-OWCLPIDISA-N 1 1 332.404 1.060 20 5 EDBDMO O=C(NCC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000371503070 446896491 /nfs/dbraw/zinc/89/64/91/446896491.db2.gz ZALDPQNWQAWELF-IAGOWNOFSA-N 1 1 331.416 1.723 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C[C@H]21 ZINC000371533676 446918745 /nfs/dbraw/zinc/91/87/45/446918745.db2.gz IVUKELBLPGBBJY-NOZJJQNGSA-N 1 1 347.400 1.766 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421010102 446982901 /nfs/dbraw/zinc/98/29/01/446982901.db2.gz FQXORRLJWAMYKE-GJZGRUSLSA-N 1 1 338.404 1.819 20 5 EDBDMO CCOCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421010616 446983903 /nfs/dbraw/zinc/98/39/03/446983903.db2.gz JAGKJMMIIHFMGE-UHFFFAOYSA-N 1 1 345.421 1.232 20 5 EDBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000443326310 447033684 /nfs/dbraw/zinc/03/36/84/447033684.db2.gz JYRAAHIYVVOLFZ-LNCBFAARSA-N 1 1 338.404 1.816 20 5 EDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455340523 447112976 /nfs/dbraw/zinc/11/29/76/447112976.db2.gz WCBNKHOIPGARGD-JTQLQIEISA-N 1 1 326.328 1.264 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455340523 447112982 /nfs/dbraw/zinc/11/29/82/447112982.db2.gz WCBNKHOIPGARGD-JTQLQIEISA-N 1 1 326.328 1.264 20 5 EDBDMO CN(Cc1nccc(N)n1)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000372536132 447118394 /nfs/dbraw/zinc/11/83/94/447118394.db2.gz BOTUMPQPZARRBS-OAHLLOKOSA-N 1 1 342.403 1.673 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c2c(c1)COCO2 ZINC000425348906 447123508 /nfs/dbraw/zinc/12/35/08/447123508.db2.gz CUDZRJHNYTWEAE-JTQLQIEISA-N 1 1 331.332 1.569 20 5 EDBDMO Cc1cc(NC(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000372723742 447246363 /nfs/dbraw/zinc/24/63/63/447246363.db2.gz HVANIULWTGAWKB-ZDUSSCGKSA-N 1 1 336.392 1.824 20 5 EDBDMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000372706141 447236295 /nfs/dbraw/zinc/23/62/95/447236295.db2.gz XCUYWZKVHGUQID-CYBMUJFWSA-N 1 1 344.375 1.537 20 5 EDBDMO CNc1nc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000456025211 447287087 /nfs/dbraw/zinc/28/70/87/447287087.db2.gz CEQVLNSXEXCCAO-MRXNPFEDSA-N 1 1 333.392 1.589 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000457087505 447512745 /nfs/dbraw/zinc/51/27/45/447512745.db2.gz BIKFOMBRKFQZSY-GFCCVEGCSA-N 1 1 346.387 1.144 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000457087505 447512749 /nfs/dbraw/zinc/51/27/49/447512749.db2.gz BIKFOMBRKFQZSY-GFCCVEGCSA-N 1 1 346.387 1.144 20 5 EDBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCC[N@@H+]3CCCO)cc2N1 ZINC000450597165 447534250 /nfs/dbraw/zinc/53/42/50/447534250.db2.gz OTFULVGJFXBQAW-ZDUSSCGKSA-N 1 1 348.403 1.738 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000416498439 447626546 /nfs/dbraw/zinc/62/65/46/447626546.db2.gz XHKZAFFNAOUUGJ-GFCCVEGCSA-N 1 1 327.406 1.442 20 5 EDBDMO COCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000489421524 447856023 /nfs/dbraw/zinc/85/60/23/447856023.db2.gz CPLSKVQUSJZQPR-RISCZKNCSA-N 1 1 337.376 1.320 20 5 EDBDMO COCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000489421524 447856025 /nfs/dbraw/zinc/85/60/25/447856025.db2.gz CPLSKVQUSJZQPR-RISCZKNCSA-N 1 1 337.376 1.320 20 5 EDBDMO CC(C)[N@H+](C)C[C@@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575982575 447943332 /nfs/dbraw/zinc/94/33/32/447943332.db2.gz BNCWIOSQLOTGOT-HIFRSBDPSA-N 1 1 325.409 1.653 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575982575 447943337 /nfs/dbraw/zinc/94/33/37/447943337.db2.gz BNCWIOSQLOTGOT-HIFRSBDPSA-N 1 1 325.409 1.653 20 5 EDBDMO COc1ccc(CC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000530767262 447953262 /nfs/dbraw/zinc/95/32/62/447953262.db2.gz LTXZMILINYRVEB-DGCLKSJQSA-N 1 1 333.388 1.887 20 5 EDBDMO CC(C)(C)c1nnc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000576220595 448001924 /nfs/dbraw/zinc/00/19/24/448001924.db2.gz XPIYKKKQHCTXNS-JTQLQIEISA-N 1 1 340.409 1.091 20 5 EDBDMO COc1ccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000525800301 448026745 /nfs/dbraw/zinc/02/67/45/448026745.db2.gz QJMLHFAXAIYSPF-KGLIPLIRSA-N 1 1 333.388 1.841 20 5 EDBDMO COC[C@@]1(C)CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000570591316 448034877 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C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000901350999 592343961 /nfs/dbraw/zinc/34/39/61/592343961.db2.gz NMGLJZWSUCHORL-IUODEOHRSA-N 1 1 341.795 1.362 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C[C@H](C)[N@H+]1C ZINC000908435455 592493954 /nfs/dbraw/zinc/49/39/54/592493954.db2.gz HLEWXSPPORBFOZ-TXEJJXNPSA-N 1 1 349.387 1.921 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C[C@H](C)[N@@H+]1C ZINC000908435455 592493956 /nfs/dbraw/zinc/49/39/56/592493956.db2.gz HLEWXSPPORBFOZ-TXEJJXNPSA-N 1 1 349.387 1.921 20 5 EDBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000794635524 593184242 /nfs/dbraw/zinc/18/42/42/593184242.db2.gz XCZGANQTKISLHP-NWDGAFQWSA-N 1 1 333.344 1.819 20 5 EDBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000794635524 593184245 /nfs/dbraw/zinc/18/42/45/593184245.db2.gz XCZGANQTKISLHP-NWDGAFQWSA-N 1 1 333.344 1.819 20 5 EDBDMO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(N)=O ZINC000839520275 593309869 /nfs/dbraw/zinc/30/98/69/593309869.db2.gz HAOLLXACEZRFOL-GFCCVEGCSA-N 1 1 342.783 1.676 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000820172184 593796859 /nfs/dbraw/zinc/79/68/59/593796859.db2.gz PHCJHVKEQUFTOP-GFCCVEGCSA-N 1 1 335.404 1.910 20 5 EDBDMO C[N@@H+](CCO)CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000829749292 594254078 /nfs/dbraw/zinc/25/40/78/594254078.db2.gz HGZFIDIZABAJIY-UHFFFAOYSA-N 1 1 329.784 1.221 20 5 EDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000830641209 594445444 /nfs/dbraw/zinc/44/54/44/594445444.db2.gz GXKCPPSDVSJXPP-NSHDSACASA-N 1 1 325.340 1.263 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000826673460 594551858 /nfs/dbraw/zinc/55/18/58/594551858.db2.gz JTJXAJKRPUIDED-HUUCEWRRSA-N 1 1 337.351 1.405 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827289177 594658814 /nfs/dbraw/zinc/65/88/14/594658814.db2.gz QGYNDQOZCWRSIV-SKDRFNHKSA-N 1 1 347.400 1.766 20 5 EDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836202739 594937819 /nfs/dbraw/zinc/93/78/19/594937819.db2.gz LVDZLSYMKXWEOD-JTQLQIEISA-N 1 1 342.783 1.779 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836202739 594937822 /nfs/dbraw/zinc/93/78/22/594937822.db2.gz LVDZLSYMKXWEOD-JTQLQIEISA-N 1 1 342.783 1.779 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834592260 595170153 /nfs/dbraw/zinc/17/01/53/595170153.db2.gz LAEZHRLORPTZAI-KBPBESRZSA-N 1 1 325.315 1.992 20 5 EDBDMO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000848490343 595394611 /nfs/dbraw/zinc/39/46/11/595394611.db2.gz ZSQCYYOFPOVCFD-OIISXLGYSA-N 1 1 345.399 1.979 20 5 EDBDMO C[N@H+](C[C@@H]1COCCO1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000853558801 595803200 /nfs/dbraw/zinc/80/32/00/595803200.db2.gz VIXPALDSIVWUEA-MRXNPFEDSA-N 1 1 332.360 1.763 20 5 EDBDMO C[N@@H+](C[C@@H]1COCCO1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000853558801 595803203 /nfs/dbraw/zinc/80/32/03/595803203.db2.gz VIXPALDSIVWUEA-MRXNPFEDSA-N 1 1 332.360 1.763 20 5 EDBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853589076 595817697 /nfs/dbraw/zinc/81/76/97/595817697.db2.gz KYDABVCYBOATLZ-ZOBUZTSGSA-N 1 1 345.399 1.837 20 5 EDBDMO C[NH+]1CCN(CC2CN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000858610960 595843172 /nfs/dbraw/zinc/84/31/72/595843172.db2.gz LCTXYQUFMIQCPD-UHFFFAOYSA-N 1 1 326.347 1.557 20 5 EDBDMO CO[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000851726159 595898602 /nfs/dbraw/zinc/89/86/02/595898602.db2.gz LRTFYXYVORXSTO-NWDGAFQWSA-N 1 1 339.417 1.982 20 5 EDBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000861342521 595949459 /nfs/dbraw/zinc/94/94/59/595949459.db2.gz CVOBFDVMBJZXRQ-DOMZBBRYSA-N 1 1 340.380 1.179 20 5 EDBDMO O=C(CC[N@H+]1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000852434304 596159134 /nfs/dbraw/zinc/15/91/34/596159134.db2.gz FMVLCXSSGLQLPN-GFCCVEGCSA-N 1 1 348.359 1.450 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707567 596303289 /nfs/dbraw/zinc/30/32/89/596303289.db2.gz IYDSENQYUUYOSE-SRMUXQRQSA-N 1 1 346.387 1.523 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000867815006 596566310 /nfs/dbraw/zinc/56/63/10/596566310.db2.gz WPVOAEVHGUVOEJ-HIFRSBDPSA-N 1 1 339.417 1.451 20 5 EDBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000121928672 596627056 /nfs/dbraw/zinc/62/70/56/596627056.db2.gz PKRVPJFJBQXXME-TXEJJXNPSA-N 1 1 339.367 1.915 20 5 EDBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000121928672 596627058 /nfs/dbraw/zinc/62/70/58/596627058.db2.gz PKRVPJFJBQXXME-TXEJJXNPSA-N 1 1 339.367 1.915 20 5 EDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000869776739 596628061 /nfs/dbraw/zinc/62/80/61/596628061.db2.gz TUHBBFUWUGALKN-LBPRGKRZSA-N 1 1 339.367 1.238 20 5 EDBDMO O=[N+]([O-])c1cc(CO)c(N2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000865624889 596630722 /nfs/dbraw/zinc/63/07/22/596630722.db2.gz TUWHZZGAZSGKNL-LBPRGKRZSA-N 1 1 325.340 1.137 20 5 EDBDMO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872053790 596799821 /nfs/dbraw/zinc/79/98/21/596799821.db2.gz WJYCAPHRYZCNMX-WDEREUQCSA-N 1 1 345.396 1.809 20 5 EDBDMO CCc1nn(C)c(N2CCC(N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000866212005 596829264 /nfs/dbraw/zinc/82/92/64/596829264.db2.gz HMYOYRDBXWHKMI-UHFFFAOYSA-N 1 1 336.440 1.107 20 5 EDBDMO C[N@H+]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CCC1(C)C ZINC000872695136 597035527 /nfs/dbraw/zinc/03/55/27/597035527.db2.gz DSKCEQDDMUSJOE-UHFFFAOYSA-N 1 1 334.376 1.876 20 5 EDBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000872780168 597064650 /nfs/dbraw/zinc/06/46/50/597064650.db2.gz KCEVPHNWBVFBII-QWHCGFSZSA-N 1 1 339.417 1.671 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000872780168 597064652 /nfs/dbraw/zinc/06/46/52/597064652.db2.gz KCEVPHNWBVFBII-QWHCGFSZSA-N 1 1 339.417 1.671 20 5 EDBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872786523 597067669 /nfs/dbraw/zinc/06/76/69/597067669.db2.gz HVJFIFCFFGQLIJ-LZWOXQAQSA-N 1 1 331.372 1.446 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000879576906 597639829 /nfs/dbraw/zinc/63/98/29/597639829.db2.gz YUMHYSDFZGQTOZ-HOCLYGCPSA-N 1 1 344.415 1.510 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000878661954 597670576 /nfs/dbraw/zinc/67/05/76/597670576.db2.gz KKTKNHYQQKUXHN-LBPRGKRZSA-N 1 1 325.369 1.262 20 5 EDBDMO COc1ccc(NC(=O)CN2CC[C@@H]3[C@H]2CCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC000880135025 597851796 /nfs/dbraw/zinc/85/17/96/597851796.db2.gz PZHUKLWDPBCDHM-HUUCEWRRSA-N 1 1 348.403 1.710 20 5 EDBDMO COc1ccc(NC(=O)CN2CC[C@H]3[C@@H]2CCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC000880135023 597851920 /nfs/dbraw/zinc/85/19/20/597851920.db2.gz PZHUKLWDPBCDHM-GJZGRUSLSA-N 1 1 348.403 1.710 20 5 EDBDMO COc1ccc(OCC[N@H+](C)[C@@H]2CCOC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000880425014 597928656 /nfs/dbraw/zinc/92/86/56/597928656.db2.gz CWKVFYRAPQZAIO-CJNGLKHVSA-N 1 1 340.376 1.718 20 5 EDBDMO O=C1NCC[C@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000880525446 597954957 /nfs/dbraw/zinc/95/49/57/597954957.db2.gz HENSBINDIUBENQ-CJNGLKHVSA-N 1 1 333.388 1.964 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000882494216 597976726 /nfs/dbraw/zinc/97/67/26/597976726.db2.gz OUXRGUZXXOOBFD-CYBMUJFWSA-N 1 1 329.360 1.605 20 5 EDBDMO Cc1csc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997766900 704670676 /nfs/dbraw/zinc/67/06/76/704670676.db2.gz FAOSNBARJVGQNK-CHWSQXEVSA-N 1 1 338.433 1.445 20 5 EDBDMO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1csnn1 ZINC001003389614 710309350 /nfs/dbraw/zinc/30/93/50/710309350.db2.gz SXZBLPIECOPHBA-UHFFFAOYSA-N 1 1 347.400 1.841 20 5 EDBDMO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1cnon1 ZINC001003820366 710609092 /nfs/dbraw/zinc/60/90/92/710609092.db2.gz PXKFBDFMAJJMGH-UHFFFAOYSA-N 1 1 331.332 1.372 20 5 EDBDMO CCN(C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000066883442 215090383 /nfs/dbraw/zinc/09/03/83/215090383.db2.gz DMSPVUGSNDHEFB-UHFFFAOYSA-N 1 1 341.433 1.841 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)CO1 ZINC000076148576 138247277 /nfs/dbraw/zinc/24/72/77/138247277.db2.gz CETIJQIAIILQCY-COXVUDFISA-N 1 1 346.387 1.614 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)CO1 ZINC000076148576 138247278 /nfs/dbraw/zinc/24/72/78/138247278.db2.gz CETIJQIAIILQCY-COXVUDFISA-N 1 1 346.387 1.614 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(=O)NC(C)C ZINC000026259571 202139641 /nfs/dbraw/zinc/13/96/41/202139641.db2.gz SFCVSJKHYLMOKL-UHFFFAOYSA-N 1 1 336.392 1.688 20 5 EDBDMO Cc1sc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000090462115 138278724 /nfs/dbraw/zinc/27/87/24/138278724.db2.gz SGGDSCINFZQTHP-NEPJUHHUSA-N 1 1 339.417 1.948 20 5 EDBDMO Cc1sc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000090462115 138278725 /nfs/dbraw/zinc/27/87/25/138278725.db2.gz SGGDSCINFZQTHP-NEPJUHHUSA-N 1 1 339.417 1.948 20 5 EDBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000109846418 138306766 /nfs/dbraw/zinc/30/67/66/138306766.db2.gz ANHNQJSSXWOXFN-OAHLLOKOSA-N 1 1 336.392 1.953 20 5 EDBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000131985905 138368992 /nfs/dbraw/zinc/36/89/92/138368992.db2.gz FKZLYXGAGWFUSR-SECBINFHSA-N 1 1 338.368 1.823 20 5 EDBDMO C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc2C[NH2+]1 ZINC000564788457 306364887 /nfs/dbraw/zinc/36/48/87/306364887.db2.gz JIDUHCYHRBUDKI-LLVKDONJSA-N 1 1 348.384 1.677 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)CC[N@H+](C)C1 ZINC000413916100 304089279 /nfs/dbraw/zinc/08/92/79/304089279.db2.gz IOANKJNJZAFRJB-GFCCVEGCSA-N 1 1 335.360 1.080 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)CC[N@@H+](C)C1 ZINC000413916100 304089280 /nfs/dbraw/zinc/08/92/80/304089280.db2.gz IOANKJNJZAFRJB-GFCCVEGCSA-N 1 1 335.360 1.080 20 5 EDBDMO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000055899259 201135169 /nfs/dbraw/zinc/13/51/69/201135169.db2.gz QFJAWYNFHRTHBB-ZDUSSCGKSA-N 1 1 328.390 1.483 20 5 EDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000055899259 201135171 /nfs/dbraw/zinc/13/51/71/201135171.db2.gz QFJAWYNFHRTHBB-ZDUSSCGKSA-N 1 1 328.390 1.483 20 5 EDBDMO COCC[NH+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194584086 138995518 /nfs/dbraw/zinc/99/55/18/138995518.db2.gz ZYYWJVKKNSWBOJ-CYBMUJFWSA-N 1 1 336.392 1.186 20 5 EDBDMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000101557044 204009150 /nfs/dbraw/zinc/00/91/50/204009150.db2.gz ZZBOQCKXRLADET-UHFFFAOYSA-N 1 1 330.392 1.662 20 5 EDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000109850245 204294871 /nfs/dbraw/zinc/29/48/71/204294871.db2.gz SWNSVKWRVJSBKK-GFCCVEGCSA-N 1 1 329.360 1.462 20 5 EDBDMO COc1cc(C[NH2+]CC(=O)NCc2ccco2)c([N+](=O)[O-])cc1O ZINC000237119319 139041150 /nfs/dbraw/zinc/04/11/50/139041150.db2.gz LKJSFCLBKBLOEE-UHFFFAOYSA-N 1 1 335.316 1.308 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000155419365 205013741 /nfs/dbraw/zinc/01/37/41/205013741.db2.gz SEFODUPWSJNXTC-HIFRSBDPSA-N 1 1 332.404 1.949 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000131615061 205297744 /nfs/dbraw/zinc/29/77/44/205297744.db2.gz QOMIBOCYROWOOC-INIZCTEOSA-N 1 1 335.404 1.490 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000132617972 205334971 /nfs/dbraw/zinc/33/49/71/205334971.db2.gz KYAIMNXEZTYANR-OCCSQVGLSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132617972 205334973 /nfs/dbraw/zinc/33/49/73/205334973.db2.gz KYAIMNXEZTYANR-OCCSQVGLSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132617972 205334977 /nfs/dbraw/zinc/33/49/77/205334977.db2.gz KYAIMNXEZTYANR-OCCSQVGLSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@H](CCO)[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245547343 139078823 /nfs/dbraw/zinc/07/88/23/139078823.db2.gz XMWUECJXNWOFQH-RHSMWYFYSA-N 1 1 348.403 1.425 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000245803316 139086516 /nfs/dbraw/zinc/08/65/16/139086516.db2.gz BLCJHAHFSWQBRS-OLZOCXBDSA-N 1 1 348.403 1.818 20 5 EDBDMO CC[N@H+]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000158262042 206181968 /nfs/dbraw/zinc/18/19/68/206181968.db2.gz XUCYWSPWIPOSSS-UHFFFAOYSA-N 1 1 332.404 1.512 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000158464322 206192448 /nfs/dbraw/zinc/19/24/48/206192448.db2.gz FJNFNBXLHDUQLU-HNNXBMFYSA-N 1 1 336.388 1.980 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000158464322 206192452 /nfs/dbraw/zinc/19/24/52/206192452.db2.gz FJNFNBXLHDUQLU-HNNXBMFYSA-N 1 1 336.388 1.980 20 5 EDBDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000246099303 139094767 /nfs/dbraw/zinc/09/47/67/139094767.db2.gz ASHMCYWVGJUVAB-RBSFLKMASA-N 1 1 337.424 1.365 20 5 EDBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000246099303 139094768 /nfs/dbraw/zinc/09/47/68/139094768.db2.gz ASHMCYWVGJUVAB-RBSFLKMASA-N 1 1 337.424 1.365 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000246989606 139129905 /nfs/dbraw/zinc/12/99/05/139129905.db2.gz UZHOLVHXRKGFIZ-UONOGXRCSA-N 1 1 334.420 1.830 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000247727378 139154517 /nfs/dbraw/zinc/15/45/17/139154517.db2.gz SVTHCWATACOBJL-WFASDCNBSA-N 1 1 346.387 1.158 20 5 EDBDMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248834923 139176999 /nfs/dbraw/zinc/17/69/99/139176999.db2.gz NQHTZBVGUVIPNH-DZGCQCFKSA-N 1 1 342.355 1.871 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC[N@H+]1C[C@@H](C)O ZINC000174624075 207039670 /nfs/dbraw/zinc/03/96/70/207039670.db2.gz SPBHBMBKPJDUMY-ZIAGYGMSSA-N 1 1 335.404 1.820 20 5 EDBDMO Cc1cccc(OCC[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000174695358 207047545 /nfs/dbraw/zinc/04/75/45/207047545.db2.gz OADHKGLWTDNOIO-HNNXBMFYSA-N 1 1 334.376 1.471 20 5 EDBDMO COc1ccc([C@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174706335 207047723 /nfs/dbraw/zinc/04/77/23/207047723.db2.gz NVJWNKXEFREBAE-DOTOQJQBSA-N 1 1 346.387 1.998 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)n1 ZINC000176245964 207206421 /nfs/dbraw/zinc/20/64/21/207206421.db2.gz NUZXSUVQMDCNGV-GFCCVEGCSA-N 1 1 331.380 1.209 20 5 EDBDMO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000423514455 252057633 /nfs/dbraw/zinc/05/76/33/252057633.db2.gz SGCPAGARVYWCEQ-CHWSQXEVSA-N 1 1 345.359 1.202 20 5 EDBDMO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccnn1C ZINC000489828786 255073333 /nfs/dbraw/zinc/07/33/33/255073333.db2.gz AYEWCYZUQQZOOT-UHFFFAOYSA-N 1 1 334.376 1.856 20 5 EDBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccnn1C ZINC000489828786 255073335 /nfs/dbraw/zinc/07/33/35/255073335.db2.gz AYEWCYZUQQZOOT-UHFFFAOYSA-N 1 1 334.376 1.856 20 5 EDBDMO COC(=O)CN(C)C(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490052083 255077077 /nfs/dbraw/zinc/07/70/77/255077077.db2.gz YFSKIIMMKANXKN-UHFFFAOYSA-N 1 1 349.387 1.581 20 5 EDBDMO COCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000490086262 255078799 /nfs/dbraw/zinc/07/87/99/255078799.db2.gz XJLKWGRRFHVHAI-HUUCEWRRSA-N 1 1 340.376 1.072 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491508899 255127246 /nfs/dbraw/zinc/12/72/46/255127246.db2.gz ZKBHBOONDANBCM-XVJNWHFHSA-N 1 1 333.388 1.835 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000495185125 255271629 /nfs/dbraw/zinc/27/16/29/255271629.db2.gz SJZFMMVBYKXKJM-GFCCVEGCSA-N 1 1 348.407 1.375 20 5 EDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347379965 533406996 /nfs/dbraw/zinc/40/69/96/533406996.db2.gz RQFLBFRGQSSKNE-JQVXPOPVSA-N 1 1 339.417 1.751 20 5 EDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347379965 533407001 /nfs/dbraw/zinc/40/70/01/533407001.db2.gz RQFLBFRGQSSKNE-JQVXPOPVSA-N 1 1 339.417 1.751 20 5 EDBDMO C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000271808900 140353961 /nfs/dbraw/zinc/35/39/61/140353961.db2.gz YDCYICWMEOSDAO-NSHDSACASA-N 1 1 346.343 1.864 20 5 EDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000332477384 141187983 /nfs/dbraw/zinc/18/79/83/141187983.db2.gz VLJZJXUBKDAHSX-NWDGAFQWSA-N 1 1 344.375 1.340 20 5 EDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000332477384 141187985 /nfs/dbraw/zinc/18/79/85/141187985.db2.gz VLJZJXUBKDAHSX-NWDGAFQWSA-N 1 1 344.375 1.340 20 5 EDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000332619573 141216371 /nfs/dbraw/zinc/21/63/71/141216371.db2.gz QYJISBZGIJMRAT-NSHDSACASA-N 1 1 335.360 1.071 20 5 EDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000332619573 141216372 /nfs/dbraw/zinc/21/63/72/141216372.db2.gz QYJISBZGIJMRAT-NSHDSACASA-N 1 1 335.360 1.071 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000339382998 142032614 /nfs/dbraw/zinc/03/26/14/142032614.db2.gz UEHKCABWXIOCEI-JKSUJKDBSA-N 1 1 345.403 1.766 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[N@@H+](C)C1 ZINC000346697285 143233345 /nfs/dbraw/zinc/23/33/45/143233345.db2.gz BTQBUPBMTZLPHE-QWHCGFSZSA-N 1 1 346.387 1.867 20 5 EDBDMO C[C@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000347104141 143283180 /nfs/dbraw/zinc/28/31/80/143283180.db2.gz ZBMIRUWRHDXYSI-SMDDNHRTSA-N 1 1 347.371 1.868 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)n1 ZINC000347324452 143308780 /nfs/dbraw/zinc/30/87/80/143308780.db2.gz DABMHFGWPPNWQS-IAQYHMDHSA-N 1 1 348.363 1.787 20 5 EDBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000347963136 143384298 /nfs/dbraw/zinc/38/42/98/143384298.db2.gz FBWDZUIKZZMDFF-CQSZACIVSA-N 1 1 343.387 1.697 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000354929699 150038076 /nfs/dbraw/zinc/03/80/76/150038076.db2.gz MPEIKSRQWATARI-AWEZNQCLSA-N 1 1 336.344 1.103 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000354929699 150038078 /nfs/dbraw/zinc/03/80/78/150038078.db2.gz MPEIKSRQWATARI-AWEZNQCLSA-N 1 1 336.344 1.103 20 5 EDBDMO CC[N@H+]1CC[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000355617804 150338895 /nfs/dbraw/zinc/33/88/95/150338895.db2.gz KCAKTSNGJIXUKT-CYBMUJFWSA-N 1 1 327.406 1.151 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+](C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000355733016 150379485 /nfs/dbraw/zinc/37/94/85/150379485.db2.gz SBYXZVYAHJKTBF-ZDUSSCGKSA-N 1 1 338.360 1.615 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000357832417 151165560 /nfs/dbraw/zinc/16/55/60/151165560.db2.gz BREFMAJFOPKBCU-GFCCVEGCSA-N 1 1 337.376 1.636 20 5 EDBDMO CC1=CC[N@H+](CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000357908555 151191275 /nfs/dbraw/zinc/19/12/75/151191275.db2.gz RWOSQIIUHPKIFH-UHFFFAOYSA-N 1 1 339.417 1.666 20 5 EDBDMO CC1=CC[N@@H+](CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000357908555 151191278 /nfs/dbraw/zinc/19/12/78/151191278.db2.gz RWOSQIIUHPKIFH-UHFFFAOYSA-N 1 1 339.417 1.666 20 5 EDBDMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357910758 151192647 /nfs/dbraw/zinc/19/26/47/151192647.db2.gz IGSIPXPNXCQQDX-AWEZNQCLSA-N 1 1 343.387 1.819 20 5 EDBDMO Cc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])nn3C)CC2)[nH+]c1 ZINC000358042028 151244416 /nfs/dbraw/zinc/24/44/16/151244416.db2.gz RDESUCIAYMDLCK-UHFFFAOYSA-N 1 1 344.375 1.431 20 5 EDBDMO COc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000358224532 151310641 /nfs/dbraw/zinc/31/06/41/151310641.db2.gz QAVXWIMDZLJYEU-JHJVBQTASA-N 1 1 340.376 1.452 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360467663 152056780 /nfs/dbraw/zinc/05/67/80/152056780.db2.gz GCRBTVXMXGYYNA-STQMWFEESA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1c(CN2CC[NH+]([C@@H]3CCCCNC3=O)CC2)cccc1[N+](=O)[O-] ZINC000360850355 152229113 /nfs/dbraw/zinc/22/91/13/152229113.db2.gz LYWIGTDJBKSNDD-QGZVFWFLSA-N 1 1 346.431 1.690 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000361429960 152393561 /nfs/dbraw/zinc/39/35/61/152393561.db2.gz LLKFBJGAZZSGIU-INIZCTEOSA-N 1 1 346.431 1.755 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)C1 ZINC000370154576 155351269 /nfs/dbraw/zinc/35/12/69/155351269.db2.gz ACMVTFDLMYGWDS-ZDUSSCGKSA-N 1 1 347.419 1.029 20 5 EDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363690475 153030756 /nfs/dbraw/zinc/03/07/56/153030756.db2.gz IGWLPHKELCVELK-AUPUMLSVSA-N 1 1 331.372 1.587 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000370202013 155375517 /nfs/dbraw/zinc/37/55/17/155375517.db2.gz RQSPKAGMCIFBMB-MRXNPFEDSA-N 1 1 335.404 1.900 20 5 EDBDMO Cc1cc(C2=CC[N@@H+](CCC(=O)NC(N)=O)CC2)cc([N+](=O)[O-])c1N ZINC000364361061 153216554 /nfs/dbraw/zinc/21/65/54/153216554.db2.gz KJBTWBQLXQIOBF-UHFFFAOYSA-N 1 1 347.375 1.160 20 5 EDBDMO COC(=O)c1cnc(N(C)C[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC000364500684 153252949 /nfs/dbraw/zinc/25/29/49/153252949.db2.gz JSCJVNPQPVSPQI-LLVKDONJSA-N 1 1 345.359 1.672 20 5 EDBDMO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1(C)C ZINC000364764683 153326487 /nfs/dbraw/zinc/32/64/87/153326487.db2.gz POBKKNXYRQKUHF-ZDUSSCGKSA-N 1 1 349.387 1.973 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1(C)C ZINC000364764683 153326489 /nfs/dbraw/zinc/32/64/89/153326489.db2.gz POBKKNXYRQKUHF-ZDUSSCGKSA-N 1 1 349.387 1.973 20 5 EDBDMO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000367493729 154148215 /nfs/dbraw/zinc/14/82/15/154148215.db2.gz VLNNODMJNLLTQX-QGZVFWFLSA-N 1 1 345.355 1.667 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000367694052 154232119 /nfs/dbraw/zinc/23/21/19/154232119.db2.gz BAFOCCIWPUMKMP-GOEBONIOSA-N 1 1 332.404 1.873 20 5 EDBDMO O=C(N[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)C1CCC1 ZINC000372154770 156245185 /nfs/dbraw/zinc/24/51/85/156245185.db2.gz BIKYZGWKVQYXFW-GDBMZVCRSA-N 1 1 333.388 1.619 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)C1CCC1 ZINC000372154770 156245188 /nfs/dbraw/zinc/24/51/88/156245188.db2.gz BIKYZGWKVQYXFW-GDBMZVCRSA-N 1 1 333.388 1.619 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)cc1 ZINC000374180198 157181871 /nfs/dbraw/zinc/18/18/71/157181871.db2.gz ZDBIQMIQEGZEOY-BRWVUGGUSA-N 1 1 336.388 1.835 20 5 EDBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000378300135 158133031 /nfs/dbraw/zinc/13/30/31/158133031.db2.gz VMRABNTYDDCRLX-KBPBESRZSA-N 1 1 348.403 1.376 20 5 EDBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000378300135 158133034 /nfs/dbraw/zinc/13/30/34/158133034.db2.gz VMRABNTYDDCRLX-KBPBESRZSA-N 1 1 348.403 1.376 20 5 EDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000408051153 158250384 /nfs/dbraw/zinc/25/03/84/158250384.db2.gz IIGLLUISTXKCBC-XQQFMLRXSA-N 1 1 335.408 1.806 20 5 EDBDMO CN(C)c1nc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000352365708 162143244 /nfs/dbraw/zinc/14/32/44/162143244.db2.gz VUQCUVMHEWVBMQ-UHFFFAOYSA-N 1 1 328.376 1.777 20 5 EDBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000067612507 287246342 /nfs/dbraw/zinc/24/63/42/287246342.db2.gz GAEFEZOOILRAEZ-CQSZACIVSA-N 1 1 348.447 1.907 20 5 EDBDMO COCc1cc([N+](=O)[O-])ccc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000267521269 273021006 /nfs/dbraw/zinc/02/10/06/273021006.db2.gz GECMBLZBRZUQSN-SUMWQHHRSA-N 1 1 335.404 1.898 20 5 EDBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000275568095 268361697 /nfs/dbraw/zinc/36/16/97/268361697.db2.gz PAFKIDONGJFNTB-SNVBAGLBSA-N 1 1 328.800 1.925 20 5 EDBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@H+]1CC(C)(C)O ZINC000275568095 268361698 /nfs/dbraw/zinc/36/16/98/268361698.db2.gz PAFKIDONGJFNTB-SNVBAGLBSA-N 1 1 328.800 1.925 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000276048026 268394063 /nfs/dbraw/zinc/39/40/63/268394063.db2.gz SVVHIKBMWKBVIH-CYBMUJFWSA-N 1 1 348.403 1.560 20 5 EDBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279809351 273328833 /nfs/dbraw/zinc/32/88/33/273328833.db2.gz PRWFPFNZLZQVGN-RRFJBIMHSA-N 1 1 338.404 1.960 20 5 EDBDMO CN(CCC[NH+]1CCCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000281825169 273537462 /nfs/dbraw/zinc/53/74/62/273537462.db2.gz KKGRCKCQFRZDOU-UHFFFAOYSA-N 1 1 347.462 1.982 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284377919 274181086 /nfs/dbraw/zinc/18/10/86/274181086.db2.gz FJUABELIAONCAR-YCPHGPKFSA-N 1 1 336.388 1.978 20 5 EDBDMO C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[N@@H+]1C1CCN(C)CC1 ZINC000376446888 274363960 /nfs/dbraw/zinc/36/39/60/274363960.db2.gz DLPYBZKFZGIMOT-CYBMUJFWSA-N 1 1 333.436 1.782 20 5 EDBDMO C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[N@H+]1C1CCN(C)CC1 ZINC000376446888 274363961 /nfs/dbraw/zinc/36/39/61/274363961.db2.gz DLPYBZKFZGIMOT-CYBMUJFWSA-N 1 1 333.436 1.782 20 5 EDBDMO O=C1[C@@H](N2CC[N@H+]3CCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000171759440 275027750 /nfs/dbraw/zinc/02/77/50/275027750.db2.gz WIVHVFHFPCOHCC-CVEARBPZSA-N 1 1 330.388 1.480 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000080702357 276300524 /nfs/dbraw/zinc/30/05/24/276300524.db2.gz NFXAYAWCUIHYFH-NEPJUHHUSA-N 1 1 334.376 1.839 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000171381513 276348779 /nfs/dbraw/zinc/34/87/79/276348779.db2.gz FBTLXJUWSJZOOO-UHFFFAOYSA-N 1 1 331.369 1.497 20 5 EDBDMO C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000357591050 280102701 /nfs/dbraw/zinc/10/27/01/280102701.db2.gz FFKMCSZYPPGLQV-JSGCOSHPSA-N 1 1 343.387 1.837 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3[C@@H](CO)CC[C@@H]3CO)co2)cc1 ZINC000287410386 288231721 /nfs/dbraw/zinc/23/17/21/288231721.db2.gz OMOHLGRHUMTMOA-HUUCEWRRSA-N 1 1 333.344 1.567 20 5 EDBDMO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000291963360 289227243 /nfs/dbraw/zinc/22/72/43/289227243.db2.gz WUSRPCZDYPRFMJ-DGCLKSJQSA-N 1 1 329.360 1.711 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000354991330 290097352 /nfs/dbraw/zinc/09/73/52/290097352.db2.gz DFSQIEWQYONIHZ-STQMWFEESA-N 1 1 336.392 1.364 20 5 EDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346159009 297305015 /nfs/dbraw/zinc/30/50/15/297305015.db2.gz CYFAWZLKFGYJQI-GUTXKFCHSA-N 1 1 349.435 1.715 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000456205731 447323926 /nfs/dbraw/zinc/32/39/26/447323926.db2.gz CBVWDBCHMXVENE-TXEJJXNPSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1 ZINC000456205731 447323932 /nfs/dbraw/zinc/32/39/32/447323932.db2.gz CBVWDBCHMXVENE-TXEJJXNPSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[NH+](CCO)CC1 ZINC000295483818 303225513 /nfs/dbraw/zinc/22/55/13/303225513.db2.gz PVZYVPPYHUZJAB-UHFFFAOYSA-N 1 1 332.360 1.266 20 5 EDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000295569681 303236268 /nfs/dbraw/zinc/23/62/68/303236268.db2.gz VBNIYPASXPGDRJ-ZDUSSCGKSA-N 1 1 347.371 1.918 20 5 EDBDMO NC(=O)c1ccc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000366291036 303344901 /nfs/dbraw/zinc/34/49/01/303344901.db2.gz LYIFZWMJNLGXMF-DZGCQCFKSA-N 1 1 348.403 1.749 20 5 EDBDMO CO[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000425412292 304963638 /nfs/dbraw/zinc/96/36/38/304963638.db2.gz FJWPFCXMNMEQDP-INIZCTEOSA-N 1 1 333.388 1.778 20 5 EDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000441116534 305217609 /nfs/dbraw/zinc/21/76/09/305217609.db2.gz CKDOXARVHAUULO-STQMWFEESA-N 1 1 348.403 1.783 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000441116534 305217610 /nfs/dbraw/zinc/21/76/10/305217610.db2.gz CKDOXARVHAUULO-STQMWFEESA-N 1 1 348.403 1.783 20 5 EDBDMO CC[N@H+]1CCC[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000445267697 305258719 /nfs/dbraw/zinc/25/87/19/305258719.db2.gz YEMFRURVGCZKOR-NSHDSACASA-N 1 1 346.391 1.755 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448941337 305305142 /nfs/dbraw/zinc/30/51/42/305305142.db2.gz LRKDZHKCSVBCSM-UHFFFAOYSA-N 1 1 343.387 1.948 20 5 EDBDMO O=C1CCCN1C[C@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548720 305352962 /nfs/dbraw/zinc/35/29/62/305352962.db2.gz NXTBAOYMSXLWQH-DOTOQJQBSA-N 1 1 347.415 1.758 20 5 EDBDMO CC[C@H]1C[N@@H+](CC)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723726 305364661 /nfs/dbraw/zinc/36/46/61/305364661.db2.gz BCLNQJISTQZKPF-GOEBONIOSA-N 1 1 337.420 1.751 20 5 EDBDMO CC[C@H]1CN(CC)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723726 305364662 /nfs/dbraw/zinc/36/46/62/305364662.db2.gz BCLNQJISTQZKPF-GOEBONIOSA-N 1 1 337.420 1.751 20 5 EDBDMO CC[C@H]1CN(CC)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723726 305364663 /nfs/dbraw/zinc/36/46/63/305364663.db2.gz BCLNQJISTQZKPF-GOEBONIOSA-N 1 1 337.420 1.751 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452347535 305390955 /nfs/dbraw/zinc/39/09/55/305390955.db2.gz ITSVBVVQPKPFGP-GFCCVEGCSA-N 1 1 341.795 1.825 20 5 EDBDMO C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000456336093 447364600 /nfs/dbraw/zinc/36/46/00/447364600.db2.gz NDHFMXWUVAGVJM-ZDUSSCGKSA-N 1 1 343.387 1.912 20 5 EDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000551907373 306167703 /nfs/dbraw/zinc/16/77/03/306167703.db2.gz FKFYOKWSFKKCDH-LBPRGKRZSA-N 1 1 338.339 1.225 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000551907373 306167704 /nfs/dbraw/zinc/16/77/04/306167704.db2.gz FKFYOKWSFKKCDH-LBPRGKRZSA-N 1 1 338.339 1.225 20 5 EDBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000556750751 306215421 /nfs/dbraw/zinc/21/54/21/306215421.db2.gz DMHFZHREUABMDR-UHFFFAOYSA-N 1 1 344.327 1.786 20 5 EDBDMO Cc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000414963981 447377018 /nfs/dbraw/zinc/37/70/18/447377018.db2.gz BOMOFFFUKNUCTC-AWEZNQCLSA-N 1 1 346.353 1.829 20 5 EDBDMO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCO ZINC000426076385 447385247 /nfs/dbraw/zinc/38/52/47/447385247.db2.gz KTRVAWKGBUYDIO-JTQLQIEISA-N 1 1 326.328 1.264 20 5 EDBDMO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000426076385 447385253 /nfs/dbraw/zinc/38/52/53/447385253.db2.gz KTRVAWKGBUYDIO-JTQLQIEISA-N 1 1 326.328 1.264 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]1CCO ZINC000426237271 447403479 /nfs/dbraw/zinc/40/34/79/447403479.db2.gz LCHNVYNUTSWVRW-LBPRGKRZSA-N 1 1 335.360 1.740 20 5 EDBDMO C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000045744969 441027279 /nfs/dbraw/zinc/02/72/79/441027279.db2.gz LVQBNMYFUOXTOC-OLZOCXBDSA-N 1 1 341.433 1.994 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080447293 441171347 /nfs/dbraw/zinc/17/13/47/441171347.db2.gz UZHOLVHXRKGFIZ-KBPBESRZSA-N 1 1 334.420 1.830 20 5 EDBDMO CCOc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000104189411 441190779 /nfs/dbraw/zinc/19/07/79/441190779.db2.gz GMUDOAYCJACIHE-NSHDSACASA-N 1 1 337.376 1.684 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072830386 441265682 /nfs/dbraw/zinc/26/56/82/441265682.db2.gz JHVXPPGGSWZEAH-YVEFUNNKSA-N 1 1 346.387 1.524 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072830386 441265690 /nfs/dbraw/zinc/26/56/90/441265690.db2.gz JHVXPPGGSWZEAH-YVEFUNNKSA-N 1 1 346.387 1.524 20 5 EDBDMO Cn1cc[nH+]c1CC1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000105793652 441271349 /nfs/dbraw/zinc/27/13/49/441271349.db2.gz TVKOEXKCAYEVML-UHFFFAOYSA-N 1 1 344.375 1.281 20 5 EDBDMO C[C@@H]1C[NH+](C[C@H](O)CN2CCc3ccc([N+](=O)[O-])cc3C2)C[C@@H](C)O1 ZINC000088616574 441516151 /nfs/dbraw/zinc/51/61/51/441516151.db2.gz CDIAOLKQOMBLCG-HBUWYVDXSA-N 1 1 349.431 1.423 20 5 EDBDMO CC(C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000112914882 441566576 /nfs/dbraw/zinc/56/65/76/441566576.db2.gz YPESWOWEVQWNFQ-MRXNPFEDSA-N 1 1 334.420 1.597 20 5 EDBDMO COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[NH+](C)C ZINC000032694911 441566241 /nfs/dbraw/zinc/56/62/41/441566241.db2.gz MAUQFAVUQNZJOV-HNNXBMFYSA-N 1 1 346.387 1.975 20 5 EDBDMO COC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112989777 441575825 /nfs/dbraw/zinc/57/58/25/441575825.db2.gz HQYVCCAPYOPSAT-GFCCVEGCSA-N 1 1 337.376 1.900 20 5 EDBDMO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112989777 441575828 /nfs/dbraw/zinc/57/58/28/441575828.db2.gz HQYVCCAPYOPSAT-GFCCVEGCSA-N 1 1 337.376 1.900 20 5 EDBDMO COC(=O)[C@H](C)C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000114062111 441632911 /nfs/dbraw/zinc/63/29/11/441632911.db2.gz OCFHXSNHLNSHMA-SNVBAGLBSA-N 1 1 334.332 1.886 20 5 EDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000114062111 441632914 /nfs/dbraw/zinc/63/29/14/441632914.db2.gz OCFHXSNHLNSHMA-SNVBAGLBSA-N 1 1 334.332 1.886 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CO)C1 ZINC000122201500 441838445 /nfs/dbraw/zinc/83/84/45/441838445.db2.gz WLNJEBVAFBEMRP-LBPRGKRZSA-N 1 1 337.376 1.636 20 5 EDBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000068798747 441853477 /nfs/dbraw/zinc/85/34/77/441853477.db2.gz BIOCMCAISBYZKU-UHFFFAOYSA-N 1 1 349.387 1.922 20 5 EDBDMO COc1cc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000141777518 441855462 /nfs/dbraw/zinc/85/54/62/441855462.db2.gz OHKAEJSJUTVOMP-GFCCVEGCSA-N 1 1 349.387 1.922 20 5 EDBDMO CCc1ccc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000174288954 441910414 /nfs/dbraw/zinc/91/04/14/441910414.db2.gz YQOZPCOUCSVYEX-CQSZACIVSA-N 1 1 347.415 1.952 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000174386107 441919794 /nfs/dbraw/zinc/91/97/94/441919794.db2.gz YATCSEZNDGESNW-GFCCVEGCSA-N 1 1 335.408 1.828 20 5 EDBDMO CC(C)[N@H+]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000069082575 441886753 /nfs/dbraw/zinc/88/67/53/441886753.db2.gz RVYRMLFEANHMBH-UHFFFAOYSA-N 1 1 346.431 1.900 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000119444182 441935161 /nfs/dbraw/zinc/93/51/61/441935161.db2.gz IAYHNUCPLOUCJP-LBPRGKRZSA-N 1 1 339.417 1.666 20 5 EDBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000078507359 441939621 /nfs/dbraw/zinc/93/96/21/441939621.db2.gz WIHRXFUQSOJPLM-ZDUSSCGKSA-N 1 1 328.376 1.678 20 5 EDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069709684 442020233 /nfs/dbraw/zinc/02/02/33/442020233.db2.gz FHZHJVVTGMECCT-AWEZNQCLSA-N 1 1 333.388 1.779 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000127162513 442176942 /nfs/dbraw/zinc/17/69/42/442176942.db2.gz LNDYHHAYQCRTEC-AWEZNQCLSA-N 1 1 337.424 1.726 20 5 EDBDMO CN(C(=O)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000170735139 442253842 /nfs/dbraw/zinc/25/38/42/442253842.db2.gz BZDWQUDOQJSHPQ-ZDUSSCGKSA-N 1 1 348.403 1.535 20 5 EDBDMO CN(C(=O)C[N@H+]1CCC[C@@H](CCC(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000170735139 442253843 /nfs/dbraw/zinc/25/38/43/442253843.db2.gz BZDWQUDOQJSHPQ-ZDUSSCGKSA-N 1 1 348.403 1.535 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000152531058 442223085 /nfs/dbraw/zinc/22/30/85/442223085.db2.gz RFQPWWUIBPIEBQ-AWEZNQCLSA-N 1 1 339.367 1.503 20 5 EDBDMO Cc1nn(C)c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000127914993 442233154 /nfs/dbraw/zinc/23/31/54/442233154.db2.gz NFNONJLZZXTNRP-UHFFFAOYSA-N 1 1 345.403 1.889 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000170886075 442283704 /nfs/dbraw/zinc/28/37/04/442283704.db2.gz FLHTUVAMVNVURJ-LLVKDONJSA-N 1 1 345.421 1.612 20 5 EDBDMO COc1cc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177066021 442292861 /nfs/dbraw/zinc/29/28/61/442292861.db2.gz AKYBXDAUSVHFIY-QWRGUYRKSA-N 1 1 349.387 1.967 20 5 EDBDMO Cc1nn(CCC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000177073438 442294409 /nfs/dbraw/zinc/29/44/09/442294409.db2.gz CGYPAUXXISUWSU-ZWNOBZJWSA-N 1 1 335.408 1.540 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000177077902 442294958 /nfs/dbraw/zinc/29/49/58/442294958.db2.gz SOLRTUGCBLGRIR-UHFFFAOYSA-N 1 1 329.784 1.946 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000171129392 442317681 /nfs/dbraw/zinc/31/76/81/442317681.db2.gz TZCKLYVWCSXEOM-UHFFFAOYSA-N 1 1 340.336 1.119 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@H+](C)C(C)C)c1C ZINC000155601636 442411783 /nfs/dbraw/zinc/41/17/83/442411783.db2.gz ZIZVBPNVLSGFBM-UHFFFAOYSA-N 1 1 329.422 1.830 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133701594 442430965 /nfs/dbraw/zinc/43/09/65/442430965.db2.gz IEYZAXQYXAQMNI-FZMZJTMJSA-N 1 1 343.387 1.752 20 5 EDBDMO C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCOCC1 ZINC000134056569 442448583 /nfs/dbraw/zinc/44/85/83/442448583.db2.gz GMUHCEUDWWNKQY-GFCCVEGCSA-N 1 1 346.387 1.774 20 5 EDBDMO Cc1c(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000134149042 442453328 /nfs/dbraw/zinc/45/33/28/442453328.db2.gz RGDPUBTUFBXOOU-ZDUSSCGKSA-N 1 1 348.403 1.642 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)C1CC1 ZINC000191914488 442540094 /nfs/dbraw/zinc/54/00/94/442540094.db2.gz IUULRFARNBZHRS-UHFFFAOYSA-N 1 1 341.433 1.974 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000179124047 442577574 /nfs/dbraw/zinc/57/75/74/442577574.db2.gz WSCQUEMMDKCLHE-LBPRGKRZSA-N 1 1 335.360 1.869 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000179124047 442577578 /nfs/dbraw/zinc/57/75/78/442577578.db2.gz WSCQUEMMDKCLHE-LBPRGKRZSA-N 1 1 335.360 1.869 20 5 EDBDMO C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000157628242 442598819 /nfs/dbraw/zinc/59/88/19/442598819.db2.gz IZUQPTIDKOMOGJ-BXUZGUMPSA-N 1 1 339.417 1.522 20 5 EDBDMO C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000157628242 442598825 /nfs/dbraw/zinc/59/88/25/442598825.db2.gz IZUQPTIDKOMOGJ-BXUZGUMPSA-N 1 1 339.417 1.522 20 5 EDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173101956 442604155 /nfs/dbraw/zinc/60/41/55/442604155.db2.gz DXJOPPDVKYNQBC-QGZVFWFLSA-N 1 1 347.415 1.851 20 5 EDBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000193464694 442745619 /nfs/dbraw/zinc/74/56/19/442745619.db2.gz YOHBSCXMBMZORV-KRWDZBQOSA-N 1 1 346.387 1.892 20 5 EDBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000193464694 442745622 /nfs/dbraw/zinc/74/56/22/442745622.db2.gz YOHBSCXMBMZORV-KRWDZBQOSA-N 1 1 346.387 1.892 20 5 EDBDMO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000188724981 442798267 /nfs/dbraw/zinc/79/82/67/442798267.db2.gz PUOCWFIVHSCFCT-HSBSLETESA-N 1 1 347.415 1.912 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268169314 442882445 /nfs/dbraw/zinc/88/24/45/442882445.db2.gz PQAPTPUKMCJKOV-FZMZJTMJSA-N 1 1 339.417 1.664 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000268222877 442906880 /nfs/dbraw/zinc/90/68/80/442906880.db2.gz QWCQDQCFIFHNMX-GXFFZTMASA-N 1 1 347.371 1.579 20 5 EDBDMO CC[N@@H+](CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000189257750 442907413 /nfs/dbraw/zinc/90/74/13/442907413.db2.gz SABKACBSBCESHW-UHFFFAOYSA-N 1 1 348.403 1.852 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000268237546 442912035 /nfs/dbraw/zinc/91/20/35/442912035.db2.gz UGOZWYXURGFSAZ-LKFCYVNXSA-N 1 1 334.332 1.716 20 5 EDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1(c2ccccc2)CC1 ZINC000189295046 442914599 /nfs/dbraw/zinc/91/45/99/442914599.db2.gz XPISUFYPAZBGLT-MRXNPFEDSA-N 1 1 330.388 1.816 20 5 EDBDMO C[N@@H+](CCOCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000268339136 442953615 /nfs/dbraw/zinc/95/36/15/442953615.db2.gz OUZAHHYIIKKNJQ-INIZCTEOSA-N 1 1 334.376 1.301 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000190130403 443061913 /nfs/dbraw/zinc/06/19/13/443061913.db2.gz ALPLTPPROHUBNR-JSGCOSHPSA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000190130403 443061918 /nfs/dbraw/zinc/06/19/18/443061918.db2.gz ALPLTPPROHUBNR-JSGCOSHPSA-N 1 1 337.376 1.313 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1C ZINC000266271825 443081743 /nfs/dbraw/zinc/08/17/43/443081743.db2.gz XQLWRRSKPUGGLQ-RYUDHWBXSA-N 1 1 346.387 1.603 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1C ZINC000266271825 443081746 /nfs/dbraw/zinc/08/17/46/443081746.db2.gz XQLWRRSKPUGGLQ-RYUDHWBXSA-N 1 1 346.387 1.603 20 5 EDBDMO COCCC[N@@H+](CCOC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266561599 443169467 /nfs/dbraw/zinc/16/94/67/443169467.db2.gz YABMZTAPWIGGIC-UHFFFAOYSA-N 1 1 342.392 1.967 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000266507478 443150456 /nfs/dbraw/zinc/15/04/56/443150456.db2.gz CMTIGEVTALJAEK-GXTWGEPZSA-N 1 1 334.351 1.781 20 5 EDBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000356724060 319109988 /nfs/dbraw/zinc/10/99/88/319109988.db2.gz BEOIQMVDNAWMJC-UHFFFAOYSA-N 1 1 327.304 1.470 20 5 EDBDMO CN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C1=O ZINC000411338847 319175503 /nfs/dbraw/zinc/17/55/03/319175503.db2.gz VPFACBBIDMFKNO-UHFFFAOYSA-N 1 1 334.376 1.476 20 5 EDBDMO CN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C1=O ZINC000411338847 319175504 /nfs/dbraw/zinc/17/55/04/319175504.db2.gz VPFACBBIDMFKNO-UHFFFAOYSA-N 1 1 334.376 1.476 20 5 EDBDMO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000411985888 319218409 /nfs/dbraw/zinc/21/84/09/319218409.db2.gz QBMUABQVMDCCIB-HNNXBMFYSA-N 1 1 329.404 1.998 20 5 EDBDMO COC(=O)[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@@H+](C)C1 ZINC000413497088 319271225 /nfs/dbraw/zinc/27/12/25/319271225.db2.gz LAHCAXOUNYYSRQ-ZDUSSCGKSA-N 1 1 344.371 1.684 20 5 EDBDMO COc1ccc(C[NH2+][C@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000185879327 443274454 /nfs/dbraw/zinc/27/44/54/443274454.db2.gz WPFKBYGYGXBBHD-CQSZACIVSA-N 1 1 336.436 1.719 20 5 EDBDMO CCCn1ccnc1CCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000191487244 443301477 /nfs/dbraw/zinc/30/14/77/443301477.db2.gz NTYMLTNYTIRLFC-UHFFFAOYSA-N 1 1 347.419 1.928 20 5 EDBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000266960414 443303827 /nfs/dbraw/zinc/30/38/27/443303827.db2.gz UHXYPMQOPCDJIC-LBPRGKRZSA-N 1 1 335.360 1.304 20 5 EDBDMO CO[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000282379887 443321701 /nfs/dbraw/zinc/32/17/01/443321701.db2.gz OIMJNNRUMYUZOK-IUODEOHRSA-N 1 1 333.388 1.983 20 5 EDBDMO CO[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000282379887 443321705 /nfs/dbraw/zinc/32/17/05/443321705.db2.gz OIMJNNRUMYUZOK-IUODEOHRSA-N 1 1 333.388 1.983 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272597412 443377484 /nfs/dbraw/zinc/37/74/84/443377484.db2.gz UQUYLEHLWHJKAH-ZDUSSCGKSA-N 1 1 342.346 1.049 20 5 EDBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000278676734 443399660 /nfs/dbraw/zinc/39/96/60/443399660.db2.gz OGMVESBXJKSVKT-UHFFFAOYSA-N 1 1 345.359 1.565 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000270587370 443476938 /nfs/dbraw/zinc/47/69/38/443476938.db2.gz SIZKFWNTEVHHMN-ZYHUDNBSSA-N 1 1 335.282 1.144 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000270587370 443476942 /nfs/dbraw/zinc/47/69/42/443476942.db2.gz SIZKFWNTEVHHMN-ZYHUDNBSSA-N 1 1 335.282 1.144 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000264833143 443445278 /nfs/dbraw/zinc/44/52/78/443445278.db2.gz ZUUPAGCZJLAMGB-LBPRGKRZSA-N 1 1 333.392 1.137 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000267581260 443503846 /nfs/dbraw/zinc/50/38/46/443503846.db2.gz STYHBJBGANLLJS-UHFFFAOYSA-N 1 1 325.365 1.635 20 5 EDBDMO NC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n[nH]1 ZINC000283132694 443534522 /nfs/dbraw/zinc/53/45/22/443534522.db2.gz NMTIXBOTUAXBBT-LLVKDONJSA-N 1 1 347.350 1.936 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](OCCO)C2)c2c(c1)COCO2 ZINC000265209113 443570495 /nfs/dbraw/zinc/57/04/95/443570495.db2.gz LLWDAKUDMXEKKM-OAHLLOKOSA-N 1 1 338.360 1.435 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](OCCO)C2)c2c(c1)COCO2 ZINC000265209113 443570499 /nfs/dbraw/zinc/57/04/99/443570499.db2.gz LLWDAKUDMXEKKM-OAHLLOKOSA-N 1 1 338.360 1.435 20 5 EDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)nc1 ZINC000273571414 443580385 /nfs/dbraw/zinc/58/03/85/443580385.db2.gz DIEZKPOEAKSJFJ-GOEBONIOSA-N 1 1 343.387 1.680 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)c1c(F)cccc1F ZINC000273134157 443545985 /nfs/dbraw/zinc/54/59/85/443545985.db2.gz SDSDYBVMNQLQRZ-CYBMUJFWSA-N 1 1 339.298 1.358 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272428112 443622771 /nfs/dbraw/zinc/62/27/71/443622771.db2.gz IVDWYSLWVQVWQI-NHYWBVRUSA-N 1 1 348.359 1.978 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000286077648 443641147 /nfs/dbraw/zinc/64/11/47/443641147.db2.gz CPROXOOUEOQRDZ-DGCLKSJQSA-N 1 1 334.376 1.697 20 5 EDBDMO CC1(C)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1O ZINC000279877862 443634528 /nfs/dbraw/zinc/63/45/28/443634528.db2.gz UFUUAGFVFZWNLM-CYBMUJFWSA-N 1 1 325.340 1.765 20 5 EDBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000286067445 443639234 /nfs/dbraw/zinc/63/92/34/443639234.db2.gz RRRIDSLOPMFUDT-HUUCEWRRSA-N 1 1 335.404 1.769 20 5 EDBDMO Cc1c(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cccc1[N+](=O)[O-] ZINC000436067831 320018752 /nfs/dbraw/zinc/01/87/52/320018752.db2.gz UUEHQQPGTRJSTC-OAHLLOKOSA-N 1 1 334.420 1.723 20 5 EDBDMO CC(C)(C[NH+]1CCCC1)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452097289 320241421 /nfs/dbraw/zinc/24/14/21/320241421.db2.gz PVAQFIFCYXVFLL-CQSZACIVSA-N 1 1 337.420 1.799 20 5 EDBDMO C[NH+](C)C1CN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000283667253 443686012 /nfs/dbraw/zinc/68/60/12/443686012.db2.gz ZPGYBUSRAZYUSS-UHFFFAOYSA-N 1 1 337.760 1.322 20 5 EDBDMO COC(=O)[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000280801069 443745701 /nfs/dbraw/zinc/74/57/01/443745701.db2.gz SDVQSWFJRMAXHD-BXUZGUMPSA-N 1 1 347.371 1.225 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000280801069 443745703 /nfs/dbraw/zinc/74/57/03/443745703.db2.gz SDVQSWFJRMAXHD-BXUZGUMPSA-N 1 1 347.371 1.225 20 5 EDBDMO C[N@H+]1CC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000290957851 443720762 /nfs/dbraw/zinc/72/07/62/443720762.db2.gz NZSKPYGBSLUETJ-KBPBESRZSA-N 1 1 341.371 1.946 20 5 EDBDMO CCOc1cc(CN2CCC([N@@H+](C)CCO)CC2)ccc1[N+](=O)[O-] ZINC000276826510 443842325 /nfs/dbraw/zinc/84/23/25/443842325.db2.gz ALDDBQHJXAUDFK-UHFFFAOYSA-N 1 1 337.420 1.882 20 5 EDBDMO C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292786119 443843109 /nfs/dbraw/zinc/84/31/09/443843109.db2.gz LCBLLWBKLHZGQB-OAHLLOKOSA-N 1 1 339.417 1.701 20 5 EDBDMO Cc1sc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000288403379 443869901 /nfs/dbraw/zinc/86/99/01/443869901.db2.gz GFWZWMIQCVTGOU-LLVKDONJSA-N 1 1 327.406 1.541 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)C1 ZINC000288417985 443874850 /nfs/dbraw/zinc/87/48/50/443874850.db2.gz LYYDTNKZWDHXRA-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)C1 ZINC000288417985 443874853 /nfs/dbraw/zinc/87/48/53/443874853.db2.gz LYYDTNKZWDHXRA-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000293171122 443942969 /nfs/dbraw/zinc/94/29/69/443942969.db2.gz CZAFFCXUMQAVBE-INIZCTEOSA-N 1 1 343.383 1.729 20 5 EDBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000288777333 443980728 /nfs/dbraw/zinc/98/07/28/443980728.db2.gz DFWFFGBLIOHQEL-NSHDSACASA-N 1 1 344.437 1.775 20 5 EDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285429869 443980916 /nfs/dbraw/zinc/98/09/16/443980916.db2.gz HJQYNVGMFJAGAB-ADNJVRNUSA-N 1 1 349.431 1.892 20 5 EDBDMO C[NH+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285429869 443980919 /nfs/dbraw/zinc/98/09/19/443980919.db2.gz HJQYNVGMFJAGAB-ADNJVRNUSA-N 1 1 349.431 1.892 20 5 EDBDMO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285429869 443980926 /nfs/dbraw/zinc/98/09/26/443980926.db2.gz HJQYNVGMFJAGAB-ADNJVRNUSA-N 1 1 349.431 1.892 20 5 EDBDMO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285429869 443980931 /nfs/dbraw/zinc/98/09/31/443980931.db2.gz HJQYNVGMFJAGAB-ADNJVRNUSA-N 1 1 349.431 1.892 20 5 EDBDMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000285429869 443980932 /nfs/dbraw/zinc/98/09/32/443980932.db2.gz HJQYNVGMFJAGAB-ADNJVRNUSA-N 1 1 349.431 1.892 20 5 EDBDMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000285429869 443980936 /nfs/dbraw/zinc/98/09/36/443980936.db2.gz HJQYNVGMFJAGAB-ADNJVRNUSA-N 1 1 349.431 1.892 20 5 EDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@](O)(c3nc(C4CC4)no3)C2)c1 ZINC000277407611 443982180 /nfs/dbraw/zinc/98/21/80/443982180.db2.gz LKLQRBLIOCYLNZ-MRXNPFEDSA-N 1 1 330.344 1.949 20 5 EDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@](O)(c3nc(C4CC4)no3)C2)c1 ZINC000277407611 443982185 /nfs/dbraw/zinc/98/21/85/443982185.db2.gz LKLQRBLIOCYLNZ-MRXNPFEDSA-N 1 1 330.344 1.949 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293550165 444051739 /nfs/dbraw/zinc/05/17/39/444051739.db2.gz DXFXIRMGNVTOMF-MRXNPFEDSA-N 1 1 331.376 1.824 20 5 EDBDMO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000569521406 321329011 /nfs/dbraw/zinc/32/90/11/321329011.db2.gz FOSVNRUQMGJBGZ-DOMZBBRYSA-N 1 1 348.403 1.154 20 5 EDBDMO COCC[C@@]1([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCOC1 ZINC000571388308 321385568 /nfs/dbraw/zinc/38/55/68/321385568.db2.gz GTGYOGCZBODPLJ-MRXNPFEDSA-N 1 1 348.359 1.930 20 5 EDBDMO Cc1[nH+]ccn1-c1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)cn1 ZINC000301089571 444143755 /nfs/dbraw/zinc/14/37/55/444143755.db2.gz MHJRSULLBOQTLM-UHFFFAOYSA-N 1 1 326.320 1.468 20 5 EDBDMO CNC(=O)c1ccc(N2CC[N@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000294868161 444152181 /nfs/dbraw/zinc/15/21/81/444152181.db2.gz DVFFTFWIZLHBFE-LBPRGKRZSA-N 1 1 332.404 1.875 20 5 EDBDMO COc1cc(C(=O)N2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000294534114 444121419 /nfs/dbraw/zinc/12/14/19/444121419.db2.gz XIMKBXGOMSGXIO-UHFFFAOYSA-N 1 1 325.340 1.909 20 5 EDBDMO C[N@@H+](C[C@@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000289713013 444194026 /nfs/dbraw/zinc/19/40/26/444194026.db2.gz GJACZRWDHGZXPY-QGZVFWFLSA-N 1 1 334.420 1.172 20 5 EDBDMO NC(=O)c1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000302023509 444200913 /nfs/dbraw/zinc/20/09/13/444200913.db2.gz JKOIFKVACUKFGO-UHFFFAOYSA-N 1 1 327.344 1.415 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](c2ccccc2)O1 ZINC000304324463 444247224 /nfs/dbraw/zinc/24/72/24/444247224.db2.gz RVQWSWPODCSSKH-XYPHTWIQSA-N 1 1 346.387 1.614 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](c2ccccc2)O1 ZINC000304324463 444247227 /nfs/dbraw/zinc/24/72/27/444247227.db2.gz RVQWSWPODCSSKH-XYPHTWIQSA-N 1 1 346.387 1.614 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H](CO)C1 ZINC000304679364 444251499 /nfs/dbraw/zinc/25/14/99/444251499.db2.gz DSAGGHPJTQHIAK-LBPRGKRZSA-N 1 1 335.360 1.597 20 5 EDBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)CN2CCOCC2)C2CC2)cc1 ZINC000305729197 444275927 /nfs/dbraw/zinc/27/59/27/444275927.db2.gz KAEXRSZEDIWQLT-QGZVFWFLSA-N 1 1 335.404 1.252 20 5 EDBDMO O=C1CCCN1C[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000305753039 444277963 /nfs/dbraw/zinc/27/79/63/444277963.db2.gz UDCOIHGTPWHCBF-INIZCTEOSA-N 1 1 333.388 1.543 20 5 EDBDMO C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C[N@H+]1C ZINC000331101907 444394614 /nfs/dbraw/zinc/39/46/14/444394614.db2.gz GLSRKDBPBLIBOG-ZJUUUORDSA-N 1 1 327.331 1.967 20 5 EDBDMO CC[C@H](CO)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298054900 444399475 /nfs/dbraw/zinc/39/94/75/444399475.db2.gz FRAKKNXYEIOGOP-LLVKDONJSA-N 1 1 325.365 1.635 20 5 EDBDMO NC(=O)c1ccc(C[NH2+][C@@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000341187453 444717517 /nfs/dbraw/zinc/71/75/17/444717517.db2.gz CKTSAONYUXKAAD-HNNXBMFYSA-N 1 1 329.356 1.907 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344034446 444741463 /nfs/dbraw/zinc/74/14/63/444741463.db2.gz DZQUBOQFSQGWIL-JVLSTEMRSA-N 1 1 335.360 1.245 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344034446 444741467 /nfs/dbraw/zinc/74/14/67/444741467.db2.gz DZQUBOQFSQGWIL-JVLSTEMRSA-N 1 1 335.360 1.245 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342718661 444833404 /nfs/dbraw/zinc/83/34/04/444833404.db2.gz FOWKNLFFZXYNSH-LLVKDONJSA-N 1 1 329.303 1.464 20 5 EDBDMO C[C@H]1[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000344298740 444887414 /nfs/dbraw/zinc/88/74/14/444887414.db2.gz RVPABEMFELJRKW-WFASDCNBSA-N 1 1 335.408 1.789 20 5 EDBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000330713623 445108352 /nfs/dbraw/zinc/10/83/52/445108352.db2.gz RMNMLXZTOVXVBO-TZMCWYRMSA-N 1 1 341.433 1.978 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCCC[C@H]2CCO)c1 ZINC000342056050 445147008 /nfs/dbraw/zinc/14/70/08/445147008.db2.gz GSPOJCFMCFZTKE-GOEBONIOSA-N 1 1 338.404 1.962 20 5 EDBDMO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000330815082 445151560 /nfs/dbraw/zinc/15/15/60/445151560.db2.gz LYHIIGWYOUSCOR-STQMWFEESA-N 1 1 341.433 1.839 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000330815082 445151562 /nfs/dbraw/zinc/15/15/62/445151562.db2.gz LYHIIGWYOUSCOR-STQMWFEESA-N 1 1 341.433 1.839 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000343562160 445244401 /nfs/dbraw/zinc/24/44/01/445244401.db2.gz YEAHLFWDOVQEOF-LBPRGKRZSA-N 1 1 349.387 1.970 20 5 EDBDMO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000348198527 445313782 /nfs/dbraw/zinc/31/37/82/445313782.db2.gz NWFCVDCWJBXEIX-HOTGVXAUSA-N 1 1 335.404 1.503 20 5 EDBDMO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000348198527 445313784 /nfs/dbraw/zinc/31/37/84/445313784.db2.gz NWFCVDCWJBXEIX-HOTGVXAUSA-N 1 1 335.404 1.503 20 5 EDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000348198527 445313786 /nfs/dbraw/zinc/31/37/86/445313786.db2.gz NWFCVDCWJBXEIX-HOTGVXAUSA-N 1 1 335.404 1.503 20 5 EDBDMO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000348198521 445313842 /nfs/dbraw/zinc/31/38/42/445313842.db2.gz NWFCVDCWJBXEIX-CVEARBPZSA-N 1 1 335.404 1.503 20 5 EDBDMO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000348198521 445313843 /nfs/dbraw/zinc/31/38/43/445313843.db2.gz NWFCVDCWJBXEIX-CVEARBPZSA-N 1 1 335.404 1.503 20 5 EDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000348198521 445313844 /nfs/dbraw/zinc/31/38/44/445313844.db2.gz NWFCVDCWJBXEIX-CVEARBPZSA-N 1 1 335.404 1.503 20 5 EDBDMO COC(=O)c1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1C ZINC000348389393 445273814 /nfs/dbraw/zinc/27/38/14/445273814.db2.gz NXEWPFZNDOQBOO-UHFFFAOYSA-N 1 1 343.343 1.886 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]3C[N@@H+]3CCC[C@@H]3CO)nn21 ZINC000362408121 445364721 /nfs/dbraw/zinc/36/47/21/445364721.db2.gz RHSDDAOTMFCHGI-CHWSQXEVSA-N 1 1 346.391 1.063 20 5 EDBDMO Cn1nccc1N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000359793024 445431116 /nfs/dbraw/zinc/43/11/16/445431116.db2.gz BHZXWZSEMVBMET-AWEZNQCLSA-N 1 1 347.350 1.753 20 5 EDBDMO O=[N+]([O-])c1ccccc1CCNc1cc[nH+]c(N2CCOCC2)n1 ZINC000353266088 445583510 /nfs/dbraw/zinc/58/35/10/445583510.db2.gz IXISHQGKISOEOG-UHFFFAOYSA-N 1 1 329.360 1.876 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000356225138 445685680 /nfs/dbraw/zinc/68/56/80/445685680.db2.gz RQJAYVZZCQTISM-CQSZACIVSA-N 1 1 343.387 1.723 20 5 EDBDMO COc1c(C(=O)NCCCNc2ccc(C)c[nH+]2)cccc1[N+](=O)[O-] ZINC000356294864 445722112 /nfs/dbraw/zinc/72/21/12/445722112.db2.gz JZOKUADHYCVQHE-UHFFFAOYSA-N 1 1 344.371 2.539 20 5 EDBDMO NC(=O)c1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363256392 445742112 /nfs/dbraw/zinc/74/21/12/445742112.db2.gz KDGLABMFHDQVOH-BZUAXINKSA-N 1 1 344.415 1.610 20 5 EDBDMO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CCn4cc[nH+]c4C3)n2)nc1 ZINC000350159444 445783352 /nfs/dbraw/zinc/78/33/52/445783352.db2.gz KDUQPKUTIIOCGU-SNVBAGLBSA-N 1 1 326.316 1.890 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000363405750 445790670 /nfs/dbraw/zinc/79/06/70/445790670.db2.gz UBEIOSPGSCDIFZ-QWRGUYRKSA-N 1 1 345.446 1.904 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000363443831 445805908 /nfs/dbraw/zinc/80/59/08/445805908.db2.gz ZFJUSDDFFQCOJF-BLLLJJGKSA-N 1 1 347.371 1.869 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000363443831 445805911 /nfs/dbraw/zinc/80/59/11/445805911.db2.gz ZFJUSDDFFQCOJF-BLLLJJGKSA-N 1 1 347.371 1.869 20 5 EDBDMO CCOc1cc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)ccc1[N+](=O)[O-] ZINC000365057656 445999009 /nfs/dbraw/zinc/99/90/09/445999009.db2.gz XNEHILXCJUPBNM-AWEZNQCLSA-N 1 1 348.403 1.983 20 5 EDBDMO CCOc1cc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)ccc1[N+](=O)[O-] ZINC000365057656 445999014 /nfs/dbraw/zinc/99/90/14/445999014.db2.gz XNEHILXCJUPBNM-AWEZNQCLSA-N 1 1 348.403 1.983 20 5 EDBDMO C[NH+]1CCC(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000366195550 446077174 /nfs/dbraw/zinc/07/71/74/446077174.db2.gz MRKDDWSGFQQNHQ-UHFFFAOYSA-N 1 1 347.419 1.278 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931072 446080801 /nfs/dbraw/zinc/08/08/01/446080801.db2.gz XUZHVSHMSMMSTB-QAPCUYQASA-N 1 1 348.447 1.432 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000365419169 446197593 /nfs/dbraw/zinc/19/75/93/446197593.db2.gz AOLBDLWERFEPFR-UHFFFAOYSA-N 1 1 344.375 1.431 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370550316 446328596 /nfs/dbraw/zinc/32/85/96/446328596.db2.gz VDORMFPUZGHKCG-ZDUSSCGKSA-N 1 1 348.359 1.368 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370550316 446328598 /nfs/dbraw/zinc/32/85/98/446328598.db2.gz VDORMFPUZGHKCG-ZDUSSCGKSA-N 1 1 348.359 1.368 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000365820730 446355701 /nfs/dbraw/zinc/35/57/01/446355701.db2.gz QXTVQWWTCPWIOY-GFCCVEGCSA-N 1 1 331.380 1.219 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000365820730 446355703 /nfs/dbraw/zinc/35/57/03/446355703.db2.gz QXTVQWWTCPWIOY-GFCCVEGCSA-N 1 1 331.380 1.219 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000376189067 446372695 /nfs/dbraw/zinc/37/26/95/446372695.db2.gz RWPGKHQLVWTWLL-QWHCGFSZSA-N 1 1 349.387 1.965 20 5 EDBDMO [NH3+]C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000420320770 446484695 /nfs/dbraw/zinc/48/46/95/446484695.db2.gz BVANZLCKEWRKSI-AWEZNQCLSA-N 1 1 335.404 1.661 20 5 EDBDMO [NH3+]C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000420320773 446485307 /nfs/dbraw/zinc/48/53/07/446485307.db2.gz BVANZLCKEWRKSI-CQSZACIVSA-N 1 1 335.404 1.661 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375016741 446517316 /nfs/dbraw/zinc/51/73/16/446517316.db2.gz FXDODVQTRFZYMU-CJNGLKHVSA-N 1 1 332.404 1.949 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376482002 446524502 /nfs/dbraw/zinc/52/45/02/446524502.db2.gz PJVDHDGXXHDYJS-QWHCGFSZSA-N 1 1 332.360 1.276 20 5 EDBDMO O=c1[nH]c(NCc2c[nH+]c3n2CCCC3)nc2ccc([N+](=O)[O-])cc12 ZINC000367417535 446543901 /nfs/dbraw/zinc/54/39/01/446543901.db2.gz HCIJWTYEBXULSC-UHFFFAOYSA-N 1 1 340.343 2.389 20 5 EDBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411511328 446578775 /nfs/dbraw/zinc/57/87/75/446578775.db2.gz IVDLXNAGRXSQMD-RKFFSXRUSA-N 1 1 327.406 1.622 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000376596103 446597316 /nfs/dbraw/zinc/59/73/16/446597316.db2.gz BDQIARLEJVQBRN-HNNXBMFYSA-N 1 1 337.376 1.329 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000411594351 446619876 /nfs/dbraw/zinc/61/98/76/446619876.db2.gz ZVHYGJAMJFMQLE-RISCZKNCSA-N 1 1 332.360 1.004 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411956065 446758892 /nfs/dbraw/zinc/75/88/92/446758892.db2.gz QXYQCFCHZUJRFI-CYBMUJFWSA-N 1 1 348.403 1.642 20 5 EDBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000371371488 446813081 /nfs/dbraw/zinc/81/30/81/446813081.db2.gz BZLFZCGFPNNPDN-CQSZACIVSA-N 1 1 328.328 1.612 20 5 EDBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000371371488 446813085 /nfs/dbraw/zinc/81/30/85/446813085.db2.gz BZLFZCGFPNNPDN-CQSZACIVSA-N 1 1 328.328 1.612 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420940082 446911143 /nfs/dbraw/zinc/91/11/43/446911143.db2.gz MGSABSDTGSDRQI-VXGBXAGGSA-N 1 1 337.376 1.492 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420940082 446911149 /nfs/dbraw/zinc/91/11/49/446911149.db2.gz MGSABSDTGSDRQI-VXGBXAGGSA-N 1 1 337.376 1.492 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420940574 446914127 /nfs/dbraw/zinc/91/41/27/446914127.db2.gz DQKMUQHBLBQQBV-JQWIXIFHSA-N 1 1 336.314 1.817 20 5 EDBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000425004483 446988361 /nfs/dbraw/zinc/98/83/61/446988361.db2.gz VGKISUKKEGVGKM-UHFFFAOYSA-N 1 1 327.406 1.839 20 5 EDBDMO C[C@@]1([C@@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000368695049 447046743 /nfs/dbraw/zinc/04/67/43/447046743.db2.gz QWERVBGGNLNZEJ-YGRLFVJLSA-N 1 1 338.389 1.466 20 5 EDBDMO C[C@@]1([C@@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000368695049 447046751 /nfs/dbraw/zinc/04/67/51/447046751.db2.gz QWERVBGGNLNZEJ-YGRLFVJLSA-N 1 1 338.389 1.466 20 5 EDBDMO CCC1(O)CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000444164524 447083465 /nfs/dbraw/zinc/08/34/65/447083465.db2.gz FOIMZTSUUPFJBP-OAHLLOKOSA-N 1 1 333.388 1.937 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H]3CNc4ccnn4C3)C2)nc1 ZINC000619266192 450438977 /nfs/dbraw/zinc/43/89/77/450438977.db2.gz ZZAKQUVKULZMFC-STQMWFEESA-N 1 1 343.391 1.414 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](c2nc[nH]n2)C1 ZINC000425540008 447217834 /nfs/dbraw/zinc/21/78/34/447217834.db2.gz DPOGWBWXTMCCIP-SNVBAGLBSA-N 1 1 346.347 1.150 20 5 EDBDMO CCOc1cc(C[NH+]2CCC(N3CCNC3=O)CC2)ccc1[N+](=O)[O-] ZINC000372810364 447295413 /nfs/dbraw/zinc/29/54/13/447295413.db2.gz QGXSMBUBXKLLKS-UHFFFAOYSA-N 1 1 348.403 1.983 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416719919 447678470 /nfs/dbraw/zinc/67/84/70/447678470.db2.gz DPFUOEFTDUUUSC-CHWSQXEVSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416719919 447678473 /nfs/dbraw/zinc/67/84/73/447678473.db2.gz DPFUOEFTDUUUSC-CHWSQXEVSA-N 1 1 336.392 1.822 20 5 EDBDMO CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cnn(C)c1 ZINC000459601683 447719028 /nfs/dbraw/zinc/71/90/28/447719028.db2.gz YQEODCIRTXFMDX-UHFFFAOYSA-N 1 1 333.392 1.648 20 5 EDBDMO C[C@@H](C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000459812716 447762649 /nfs/dbraw/zinc/76/26/49/447762649.db2.gz SDKTWMLEGWAPTK-AAEUAGOBSA-N 1 1 342.396 1.062 20 5 EDBDMO CC(C)[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@H+]1C ZINC000487951954 447838857 /nfs/dbraw/zinc/83/88/57/447838857.db2.gz IEBVFVAVGJSEID-DLBZAZTESA-N 1 1 346.431 1.972 20 5 EDBDMO COc1ccc(CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000525540231 448004416 /nfs/dbraw/zinc/00/44/16/448004416.db2.gz NCJWOUWIXGMGCI-TZMCWYRMSA-N 1 1 335.404 1.945 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000576085363 447966491 /nfs/dbraw/zinc/96/64/91/447966491.db2.gz KVBADPBQTQEQMM-CYBMUJFWSA-N 1 1 336.392 1.839 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C2(O)CC2)c1 ZINC000571381316 448144000 /nfs/dbraw/zinc/14/40/00/448144000.db2.gz BHWUMNNEYYRCNF-GDBMZVCRSA-N 1 1 336.388 1.714 20 5 EDBDMO CNc1nccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000557522955 448185226 /nfs/dbraw/zinc/18/52/26/448185226.db2.gz HBYOKIHDLJIOBD-VXGBXAGGSA-N 1 1 335.408 1.882 20 5 EDBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591146489 448272030 /nfs/dbraw/zinc/27/20/30/448272030.db2.gz BTPAQJWFXHDMNC-ZDUSSCGKSA-N 1 1 337.399 1.735 20 5 EDBDMO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577389016 448284575 /nfs/dbraw/zinc/28/45/75/448284575.db2.gz UKKRMNDVFZMWGX-BBRMVZONSA-N 1 1 346.431 1.759 20 5 EDBDMO CC(C)Oc1nc(NC[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000565220607 448360172 /nfs/dbraw/zinc/36/01/72/448360172.db2.gz DVGJBDQLZIUSAZ-CYBMUJFWSA-N 1 1 338.408 2.157 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CC(N3CCCCC3)C2)c1 ZINC000591764001 448484388 /nfs/dbraw/zinc/48/43/88/448484388.db2.gz JITZWNNLSIFSJB-PREGVCBESA-N 1 1 349.431 1.941 20 5 EDBDMO Cc1[nH+]cc2n1C[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000517574602 448595314 /nfs/dbraw/zinc/59/53/14/448595314.db2.gz FEOCCZZDKPUSSR-CYBMUJFWSA-N 1 1 344.371 1.857 20 5 EDBDMO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000517647451 448600739 /nfs/dbraw/zinc/60/07/39/448600739.db2.gz GUQLTIUZGPMISF-NSHDSACASA-N 1 1 333.344 1.632 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000567810975 448765681 /nfs/dbraw/zinc/76/56/81/448765681.db2.gz NVMKYLCVTFZLER-ZIAGYGMSSA-N 1 1 336.388 1.978 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000567810975 448765686 /nfs/dbraw/zinc/76/56/86/448765686.db2.gz NVMKYLCVTFZLER-ZIAGYGMSSA-N 1 1 336.388 1.978 20 5 EDBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000547734939 448922323 /nfs/dbraw/zinc/92/23/23/448922323.db2.gz XTNYRLLIMVKOJQ-UHFFFAOYSA-N 1 1 340.343 1.762 20 5 EDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000520824159 448934129 /nfs/dbraw/zinc/93/41/29/448934129.db2.gz PQNIPNFTZQSOIX-LLVKDONJSA-N 1 1 335.360 1.438 20 5 EDBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588859990 448941992 /nfs/dbraw/zinc/94/19/92/448941992.db2.gz AGNLWQXZWRDTJP-NWDGAFQWSA-N 1 1 339.779 1.529 20 5 EDBDMO CCCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CC[N@@H+](C)C1 ZINC000592829779 449007938 /nfs/dbraw/zinc/00/79/38/449007938.db2.gz YOSNXECXXZCFEE-GFCCVEGCSA-N 1 1 335.360 1.880 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1c([N+](=O)[O-])ncn1C ZINC000548347885 449028761 /nfs/dbraw/zinc/02/87/61/449028761.db2.gz RGQCFXORHYYDBK-GXTWGEPZSA-N 1 1 347.423 1.581 20 5 EDBDMO O=C(CC[N@H+]1CC[C@@H](Cn2ccnn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595608444 449075960 /nfs/dbraw/zinc/07/59/60/449075960.db2.gz PZVCPYHCPWDRGH-CYBMUJFWSA-N 1 1 344.375 1.537 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000589928872 449082930 /nfs/dbraw/zinc/08/29/30/449082930.db2.gz HEOPTXQYSZZZIO-ZFWWWQNUSA-N 1 1 339.417 1.103 20 5 EDBDMO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000582222982 449039731 /nfs/dbraw/zinc/03/97/31/449039731.db2.gz OKACSMHVLMQVFM-UKRRQHHQSA-N 1 1 335.404 1.661 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000590046454 449100413 /nfs/dbraw/zinc/10/04/13/449100413.db2.gz DEQDRDBXFKSNLL-BDJLRTHQSA-N 1 1 328.372 1.781 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000593035109 449110229 /nfs/dbraw/zinc/11/02/29/449110229.db2.gz XUKVUYHQIZRSRR-LBPRGKRZSA-N 1 1 345.359 1.797 20 5 EDBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599939722 449118331 /nfs/dbraw/zinc/11/83/31/449118331.db2.gz YIFUAYLVDVPABM-VXGBXAGGSA-N 1 1 344.371 1.357 20 5 EDBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000590390427 449145042 /nfs/dbraw/zinc/14/50/42/449145042.db2.gz ZPBVUBJJSBJBJP-CYBMUJFWSA-N 1 1 333.388 1.920 20 5 EDBDMO COc1cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1C ZINC000590548914 449183209 /nfs/dbraw/zinc/18/32/09/449183209.db2.gz HYXRXRGZXKXZMV-ZIAGYGMSSA-N 1 1 349.387 1.193 20 5 EDBDMO O=C(C[N@@H+]1CC[C@H]2COC[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595828369 449191829 /nfs/dbraw/zinc/19/18/29/449191829.db2.gz DBXCUCBPMPVAJQ-WDEREUQCSA-N 1 1 349.343 1.230 20 5 EDBDMO O=C(C[N@H+]1CC[C@H]2COC[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595828369 449191835 /nfs/dbraw/zinc/19/18/35/449191835.db2.gz DBXCUCBPMPVAJQ-WDEREUQCSA-N 1 1 349.343 1.230 20 5 EDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000611165852 449194696 /nfs/dbraw/zinc/19/46/96/449194696.db2.gz AFEXUCGLUUGBET-UHFFFAOYSA-N 1 1 325.340 1.263 20 5 EDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000600315270 449316005 /nfs/dbraw/zinc/31/60/05/449316005.db2.gz QVGAJYWXHRNBQO-LBPRGKRZSA-N 1 1 349.387 1.828 20 5 EDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000611516215 449317420 /nfs/dbraw/zinc/31/74/20/449317420.db2.gz ZYFIFDCTAJRNGT-UHFFFAOYSA-N 1 1 347.371 1.870 20 5 EDBDMO Cc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1[N+](=O)[O-] ZINC000593918472 449285778 /nfs/dbraw/zinc/28/57/78/449285778.db2.gz DUGMHGUVFQNBLY-UTUOFQBUSA-N 1 1 337.380 1.127 20 5 EDBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000598465704 449408709 /nfs/dbraw/zinc/40/87/09/449408709.db2.gz JEBHKPLGJPWBLB-UHFFFAOYSA-N 1 1 325.413 1.726 20 5 EDBDMO O=[N+]([O-])c1ccc2ccnc(N3CC(C[NH+]4CCOCC4)C3)c2c1 ZINC000596239762 449434680 /nfs/dbraw/zinc/43/46/80/449434680.db2.gz MPDLFNZQRVVFJK-UHFFFAOYSA-N 1 1 328.372 1.911 20 5 EDBDMO CNC(=O)C[NH+]1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702647 449388334 /nfs/dbraw/zinc/38/83/34/449388334.db2.gz QICMQXRQCVGQCE-UHFFFAOYSA-N 1 1 344.375 1.160 20 5 EDBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC(C[NH+]3CCOCC3)C2)s1 ZINC000596239174 449433584 /nfs/dbraw/zinc/43/35/84/449433584.db2.gz BYDHFLUPPPMERJ-UHFFFAOYSA-N 1 1 335.389 1.368 20 5 EDBDMO C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000596297757 449462597 /nfs/dbraw/zinc/46/25/97/449462597.db2.gz HNALQDREXDBOKU-UTUOFQBUSA-N 1 1 336.392 1.603 20 5 EDBDMO C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000596297757 449462604 /nfs/dbraw/zinc/46/26/04/449462604.db2.gz HNALQDREXDBOKU-UTUOFQBUSA-N 1 1 336.392 1.603 20 5 EDBDMO CCC[N@@H+](CC)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598603619 449487468 /nfs/dbraw/zinc/48/74/68/449487468.db2.gz XJEILOWNZOVEAP-UHFFFAOYSA-N 1 1 338.412 1.365 20 5 EDBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596487869 449525507 /nfs/dbraw/zinc/52/55/07/449525507.db2.gz GQTTXTHAIDSEFP-HNNXBMFYSA-N 1 1 334.376 1.658 20 5 EDBDMO CO[C@@]1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC000602472696 449618504 /nfs/dbraw/zinc/61/85/04/449618504.db2.gz PDBSOSBGPOCWOX-QGZVFWFLSA-N 1 1 349.387 1.158 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000594760787 449674565 /nfs/dbraw/zinc/67/45/65/449674565.db2.gz SYDRWXPJBNKTQG-NWDGAFQWSA-N 1 1 342.421 1.483 20 5 EDBDMO O=[N+]([O-])c1cnc2ccccc2c1NC1CC([NH+]2CCOCC2)C1 ZINC000599095905 449728515 /nfs/dbraw/zinc/72/85/15/449728515.db2.gz YCXRGPASVCNQRD-UHFFFAOYSA-N 1 1 328.372 1.840 20 5 EDBDMO CC(C)(CN1CCN(c2ncccc2[N+](=O)[O-])CC1)[NH+]1CCOCC1 ZINC000602687281 449750559 /nfs/dbraw/zinc/75/05/59/449750559.db2.gz JQXIFVSBJKPPJG-UHFFFAOYSA-N 1 1 349.435 1.223 20 5 EDBDMO C[C@H](C(=O)NCCCN1CCC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617728976 449789337 /nfs/dbraw/zinc/78/93/37/449789337.db2.gz BTLUYFZVCGZHCL-HNNXBMFYSA-N 1 1 348.447 1.842 20 5 EDBDMO C[C@H](C(=O)NCCC[N@@H+]1CCCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617728976 449789345 /nfs/dbraw/zinc/78/93/45/449789345.db2.gz BTLUYFZVCGZHCL-HNNXBMFYSA-N 1 1 348.447 1.842 20 5 EDBDMO C[C@H](C(=O)NCCC[N@H+]1CCCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617728976 449789350 /nfs/dbraw/zinc/78/93/50/449789350.db2.gz BTLUYFZVCGZHCL-HNNXBMFYSA-N 1 1 348.447 1.842 20 5 EDBDMO C[NH+](C)C1(CS(=O)(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601314800 449825155 /nfs/dbraw/zinc/82/51/55/449825155.db2.gz RAYNOWLVPRLAFM-UHFFFAOYSA-N 1 1 327.406 1.151 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000595075100 449855365 /nfs/dbraw/zinc/85/53/65/449855365.db2.gz WEUCCZQKPOOWKK-ZDUSSCGKSA-N 1 1 348.403 1.831 20 5 EDBDMO C[N@H+]1CCCC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000599411674 449957492 /nfs/dbraw/zinc/95/74/92/449957492.db2.gz BUXFUDMEXNLHLJ-GFCCVEGCSA-N 1 1 327.406 1.605 20 5 EDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597575617 450118913 /nfs/dbraw/zinc/11/89/13/450118913.db2.gz QEMWEIJHNULBQZ-KGLIPLIRSA-N 1 1 339.342 1.921 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000603186030 450124545 /nfs/dbraw/zinc/12/45/45/450124545.db2.gz OFIDAWXSLLQJPY-LRDDRELGSA-N 1 1 331.376 1.752 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000603186030 450124551 /nfs/dbraw/zinc/12/45/51/450124551.db2.gz OFIDAWXSLLQJPY-LRDDRELGSA-N 1 1 331.376 1.752 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599647028 450126151 /nfs/dbraw/zinc/12/61/51/450126151.db2.gz NIJURYLINPYELD-NSHDSACASA-N 1 1 342.421 1.222 20 5 EDBDMO CC(C)(C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1)n1cc([N+](=O)[O-])cn1 ZINC000597583920 450126524 /nfs/dbraw/zinc/12/65/24/450126524.db2.gz VOHMDECEHLQVCD-STQMWFEESA-N 1 1 339.371 1.171 20 5 EDBDMO O=C(C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599681845 450149117 /nfs/dbraw/zinc/14/91/17/450149117.db2.gz QGAUITFUBUBAOB-XGWLTEMNSA-N 1 1 331.372 1.329 20 5 EDBDMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000599684735 450151392 /nfs/dbraw/zinc/15/13/92/450151392.db2.gz HJNXUDLWDKACAL-SMDDNHRTSA-N 1 1 347.331 1.345 20 5 EDBDMO COC[C@@]1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000599698344 450161601 /nfs/dbraw/zinc/16/16/01/450161601.db2.gz QYAZKYDVBVXDAU-MRXNPFEDSA-N 1 1 337.376 1.661 20 5 EDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601686002 450170320 /nfs/dbraw/zinc/17/03/20/450170320.db2.gz SBPVWVPSHPNJLX-OAHLLOKOSA-N 1 1 333.388 1.199 20 5 EDBDMO COc1ccc(OCC[N@@H+](CC(N)=O)C2CCCC2)c([N+](=O)[O-])c1 ZINC000610368604 450201820 /nfs/dbraw/zinc/20/18/20/450201820.db2.gz CAVJEKDNYLIHEF-UHFFFAOYSA-N 1 1 337.376 1.712 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000610403358 450207832 /nfs/dbraw/zinc/20/78/32/450207832.db2.gz NUABAMNBIQBTHM-STQMWFEESA-N 1 1 336.392 1.756 20 5 EDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597710409 450213757 /nfs/dbraw/zinc/21/37/57/450213757.db2.gz UECCIEKTEAYAFT-CQSZACIVSA-N 1 1 348.403 1.330 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619473288 450483600 /nfs/dbraw/zinc/48/36/00/450483600.db2.gz YGZGQJFOZGFENV-NSHDSACASA-N 1 1 343.405 1.366 20 5 EDBDMO Cc1c(CC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000184352969 533836789 /nfs/dbraw/zinc/83/67/89/533836789.db2.gz QNFRAYDSJDMIMQ-CQSZACIVSA-N 1 1 348.447 1.588 20 5 EDBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000188012509 534202913 /nfs/dbraw/zinc/20/29/13/534202913.db2.gz VLXWHGCIMJBCLO-FZKQIMNGSA-N 1 1 347.415 1.967 20 5 EDBDMO Cc1nc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000189746619 534573534 /nfs/dbraw/zinc/57/35/34/534573534.db2.gz KQEPUVPHUZVVDI-JSGCOSHPSA-N 1 1 337.405 1.754 20 5 EDBDMO Cc1nc([C@@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000189746619 534573542 /nfs/dbraw/zinc/57/35/42/534573542.db2.gz KQEPUVPHUZVVDI-JSGCOSHPSA-N 1 1 337.405 1.754 20 5 EDBDMO CC1(C)NC(=O)N(CCC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000131417369 527787637 /nfs/dbraw/zinc/78/76/37/527787637.db2.gz MXXYYFFDUDZIPB-UHFFFAOYSA-N 1 1 346.387 1.673 20 5 EDBDMO CC1(C)NC(=O)N(CCC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000131417369 527787643 /nfs/dbraw/zinc/78/76/43/527787643.db2.gz MXXYYFFDUDZIPB-UHFFFAOYSA-N 1 1 346.387 1.673 20 5 EDBDMO CC1([C@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)OCCO1 ZINC000183904817 528057596 /nfs/dbraw/zinc/05/75/96/528057596.db2.gz NFPPEEUZDZNGDR-AWEZNQCLSA-N 1 1 349.387 1.669 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000183941540 528546122 /nfs/dbraw/zinc/54/61/22/528546122.db2.gz XVMHOOSTEFKJHM-UHFFFAOYSA-N 1 1 349.309 1.658 20 5 EDBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181900266 529238192 /nfs/dbraw/zinc/23/81/92/529238192.db2.gz HHAGNPLTBNRXLX-SQWLQELKSA-N 1 1 338.404 1.960 20 5 EDBDMO CC[NH+]1CCN(CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074137507 535688672 /nfs/dbraw/zinc/68/86/72/535688672.db2.gz DQEKKZHYNFNGOI-UHFFFAOYSA-N 1 1 348.447 1.671 20 5 EDBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736295987 578973807 /nfs/dbraw/zinc/97/38/07/578973807.db2.gz ZMIKYPKWYFGAAC-ZYHUDNBSSA-N 1 1 329.364 1.448 20 5 EDBDMO O=C(OCCC[NH+]1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000750881505 579785609 /nfs/dbraw/zinc/78/56/09/579785609.db2.gz YOVYSAMGEVLEPH-UHFFFAOYSA-N 1 1 333.344 1.955 20 5 EDBDMO Cc1cc(F)cc(C(=O)OCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000752558958 579861388 /nfs/dbraw/zinc/86/13/88/579861388.db2.gz SYCAXZYKSRWCQE-UHFFFAOYSA-N 1 1 326.324 1.921 20 5 EDBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000754080039 579895832 /nfs/dbraw/zinc/89/58/32/579895832.db2.gz AFYYBNQQWRXDAI-ZDUSSCGKSA-N 1 1 348.359 1.072 20 5 EDBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000754080039 579895833 /nfs/dbraw/zinc/89/58/33/579895833.db2.gz AFYYBNQQWRXDAI-ZDUSSCGKSA-N 1 1 348.359 1.072 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000769131496 580229480 /nfs/dbraw/zinc/22/94/80/580229480.db2.gz PAWRWNNTPJZHIJ-UHFFFAOYSA-N 1 1 336.323 1.756 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCC[C@H]1C ZINC000780866793 580535855 /nfs/dbraw/zinc/53/58/55/580535855.db2.gz LWIJIQKHTOTRGB-LLVKDONJSA-N 1 1 343.405 1.366 20 5 EDBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C(C)C ZINC000781970782 580562058 /nfs/dbraw/zinc/56/20/58/580562058.db2.gz RMEWQCZHPATYRB-INIZCTEOSA-N 1 1 348.403 1.934 20 5 EDBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000785735200 580651741 /nfs/dbraw/zinc/65/17/41/580651741.db2.gz NXBGZHMPVWQVGS-GHMZBOCLSA-N 1 1 335.360 1.610 20 5 EDBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCOCCO ZINC000800507670 581054200 /nfs/dbraw/zinc/05/42/00/581054200.db2.gz UUZCCBLWSNFJTK-JTQLQIEISA-N 1 1 345.783 1.516 20 5 EDBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCOCCO ZINC000800507670 581054201 /nfs/dbraw/zinc/05/42/01/581054201.db2.gz UUZCCBLWSNFJTK-JTQLQIEISA-N 1 1 345.783 1.516 20 5 EDBDMO Nc1nccc([C@H]2CCC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000801551086 581079462 /nfs/dbraw/zinc/07/94/62/581079462.db2.gz MQWYFWOZHCWICJ-BBRMVZONSA-N 1 1 343.387 1.880 20 5 EDBDMO Cn1c2ccccc2c(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1=O ZINC000893938790 591144186 /nfs/dbraw/zinc/14/41/86/591144186.db2.gz GDGXTGIEFPMSDK-RISCZKNCSA-N 1 1 328.372 1.587 20 5 EDBDMO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N[C@@H]3CC[N@@H+](C)[C@H]3C)n2)CC[NH+]1C ZINC000895735875 591264436 /nfs/dbraw/zinc/26/44/36/591264436.db2.gz GBMZOWFFKYCKQZ-UMSGYPCISA-N 1 1 349.439 1.394 20 5 EDBDMO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1C[N@H+]2CCN1CCC2 ZINC000898462172 591363737 /nfs/dbraw/zinc/36/37/37/591363737.db2.gz NGHXIALBVIXHEY-HNNXBMFYSA-N 1 1 341.371 1.471 20 5 EDBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000894959538 591493426 /nfs/dbraw/zinc/49/34/26/591493426.db2.gz XTZCZVJJPQYQIL-UHFFFAOYSA-N 1 1 343.387 1.353 20 5 EDBDMO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](C)CCN1C ZINC000895245927 591678399 /nfs/dbraw/zinc/67/83/99/591678399.db2.gz JTGQPIMHBUKXNK-ONGXEEELSA-N 1 1 336.421 1.646 20 5 EDBDMO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895245927 591678402 /nfs/dbraw/zinc/67/84/02/591678402.db2.gz JTGQPIMHBUKXNK-ONGXEEELSA-N 1 1 336.421 1.646 20 5 EDBDMO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1CN(C)CC[N@H+]1C ZINC000895245927 591678405 /nfs/dbraw/zinc/67/84/05/591678405.db2.gz JTGQPIMHBUKXNK-ONGXEEELSA-N 1 1 336.421 1.646 20 5 EDBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900048351 591882835 /nfs/dbraw/zinc/88/28/35/591882835.db2.gz CRXPCJWJMKWQMF-WFASDCNBSA-N 1 1 341.795 1.662 20 5 EDBDMO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000903492298 592184975 /nfs/dbraw/zinc/18/49/75/592184975.db2.gz MCBAWTSXIFUYSS-WDMOLILDSA-N 1 1 325.390 1.369 20 5 EDBDMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000901017021 592198287 /nfs/dbraw/zinc/19/82/87/592198287.db2.gz ORQFNCCURQMQRZ-BXUZGUMPSA-N 1 1 327.768 1.320 20 5 EDBDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000901017021 592198290 /nfs/dbraw/zinc/19/82/90/592198290.db2.gz ORQFNCCURQMQRZ-BXUZGUMPSA-N 1 1 327.768 1.320 20 5 EDBDMO CN1CC[N@@H+](C)CC(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000908359803 592465062 /nfs/dbraw/zinc/46/50/62/592465062.db2.gz FWLRIMJIKYTAGB-UHFFFAOYSA-N 1 1 334.420 1.440 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000907019089 592482017 /nfs/dbraw/zinc/48/20/17/592482017.db2.gz CGJRKYBPMCHOKY-UHFFFAOYSA-N 1 1 349.778 1.944 20 5 EDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000907208087 592547270 /nfs/dbraw/zinc/54/72/70/592547270.db2.gz VKDPVQXFTQTDON-DTWKUNHWSA-N 1 1 326.784 1.995 20 5 EDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000907208087 592547272 /nfs/dbraw/zinc/54/72/72/592547272.db2.gz VKDPVQXFTQTDON-DTWKUNHWSA-N 1 1 326.784 1.995 20 5 EDBDMO Cc1nn(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840134326 593252170 /nfs/dbraw/zinc/25/21/70/593252170.db2.gz MXUZTSZFNWWJKV-BETUJISGSA-N 1 1 347.419 1.597 20 5 EDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000840179113 593342429 /nfs/dbraw/zinc/34/24/29/593342429.db2.gz QSVFXLVAZFDBSC-ZDUSSCGKSA-N 1 1 344.375 1.221 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000840179837 593342569 /nfs/dbraw/zinc/34/25/69/593342569.db2.gz UYUCJKPWKCLAIC-INIZCTEOSA-N 1 1 329.360 1.186 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000840179837 593342571 /nfs/dbraw/zinc/34/25/71/593342571.db2.gz UYUCJKPWKCLAIC-INIZCTEOSA-N 1 1 329.360 1.186 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)[C@@H](C)C1 ZINC000804378981 593410090 /nfs/dbraw/zinc/41/00/90/593410090.db2.gz FMQWZSXYXIIAHN-LRDDRELGSA-N 1 1 346.387 1.640 20 5 EDBDMO CC[N@H+]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)[C@@H](C)C1 ZINC000804378981 593410092 /nfs/dbraw/zinc/41/00/92/593410092.db2.gz FMQWZSXYXIIAHN-LRDDRELGSA-N 1 1 346.387 1.640 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)C1 ZINC000804461601 593416999 /nfs/dbraw/zinc/41/69/99/593416999.db2.gz NAFZCZPNNDIDMJ-ZDUSSCGKSA-N 1 1 349.391 1.719 20 5 EDBDMO O=C1CC2(CCC2)C(=O)N1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000840057984 593434315 /nfs/dbraw/zinc/43/43/15/593434315.db2.gz HOIUCPZWLWRNJV-UHFFFAOYSA-N 1 1 347.375 1.315 20 5 EDBDMO NC(=O)CCCCC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172532 593521395 /nfs/dbraw/zinc/52/13/95/593521395.db2.gz NETSLTIGDOVHHC-HNNXBMFYSA-N 1 1 349.387 1.758 20 5 EDBDMO NC(=O)CCCCC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172532 593521397 /nfs/dbraw/zinc/52/13/97/593521397.db2.gz NETSLTIGDOVHHC-HNNXBMFYSA-N 1 1 349.387 1.758 20 5 EDBDMO CNC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000817282195 593588666 /nfs/dbraw/zinc/58/86/66/593588666.db2.gz CPYBTTVRELLBEQ-JTQLQIEISA-N 1 1 338.339 1.130 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000818626071 593708682 /nfs/dbraw/zinc/70/86/82/593708682.db2.gz GIBJLZLRAKODHU-DTORHVGOSA-N 1 1 335.389 1.764 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000818626071 593708683 /nfs/dbraw/zinc/70/86/83/593708683.db2.gz GIBJLZLRAKODHU-DTORHVGOSA-N 1 1 335.389 1.764 20 5 EDBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820091789 593790054 /nfs/dbraw/zinc/79/00/54/593790054.db2.gz AHXDFKINHCSNSC-NSHDSACASA-N 1 1 346.395 1.560 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821623196 593885161 /nfs/dbraw/zinc/88/51/61/593885161.db2.gz GASYWEXKLBFHAY-BXUZGUMPSA-N 1 1 343.391 1.695 20 5 EDBDMO Nc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000823962022 593895465 /nfs/dbraw/zinc/89/54/65/593895465.db2.gz ODBMFWPDLGSRME-GFCCVEGCSA-N 1 1 349.391 1.363 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000832297086 594741011 /nfs/dbraw/zinc/74/10/11/594741011.db2.gz CDAWBHBPVJTFPP-UHTWSYAYSA-N 1 1 334.294 1.873 20 5 EDBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000844146932 595285642 /nfs/dbraw/zinc/28/56/42/595285642.db2.gz SRCPKNFAUAQNEG-LLVKDONJSA-N 1 1 325.752 1.139 20 5 EDBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000844146932 595285643 /nfs/dbraw/zinc/28/56/43/595285643.db2.gz SRCPKNFAUAQNEG-LLVKDONJSA-N 1 1 325.752 1.139 20 5 EDBDMO C[N@H+](C[C@H]1CCCOC1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000107670053 595402890 /nfs/dbraw/zinc/40/28/90/595402890.db2.gz CXFAFPOSUFWLHP-SECBINFHSA-N 1 1 333.186 1.870 20 5 EDBDMO C[N@@H+](C[C@H]1CCCOC1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000107670053 595402891 /nfs/dbraw/zinc/40/28/91/595402891.db2.gz CXFAFPOSUFWLHP-SECBINFHSA-N 1 1 333.186 1.870 20 5 EDBDMO Cn1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(Br)n1 ZINC000858151116 595714262 /nfs/dbraw/zinc/71/42/62/595714262.db2.gz UGEUHEKCRNSATO-UHFFFAOYSA-N 1 1 329.158 1.077 20 5 EDBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853589074 595817503 /nfs/dbraw/zinc/81/75/03/595817503.db2.gz KYDABVCYBOATLZ-UXLLHSPISA-N 1 1 345.399 1.837 20 5 EDBDMO Cc1c[nH+]cn1CC(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000859951931 596233170 /nfs/dbraw/zinc/23/31/70/596233170.db2.gz TWTRIDNGOVNQAT-UHFFFAOYSA-N 1 1 332.316 1.306 20 5 EDBDMO Cc1c[nH+]cn1CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000859951916 596233215 /nfs/dbraw/zinc/23/32/15/596233215.db2.gz SPVJPFCPFQDORU-NSHDSACASA-N 1 1 332.316 1.670 20 5 EDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000868630068 596252649 /nfs/dbraw/zinc/25/26/49/596252649.db2.gz WKLXRCJNRHOBIM-ZDUSSCGKSA-N 1 1 339.367 1.239 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCCn1cc[nH+]c1C ZINC000120211317 596342698 /nfs/dbraw/zinc/34/26/98/596342698.db2.gz XYDWRTMJKNUSNL-UHFFFAOYSA-N 1 1 331.376 1.986 20 5 EDBDMO C[N@@H+]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CCC1(C)C ZINC000867680279 596492771 /nfs/dbraw/zinc/49/27/71/596492771.db2.gz GECSNFQBDPFQQR-UHFFFAOYSA-N 1 1 328.394 1.095 20 5 EDBDMO C[N@H+]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CCC1(C)C ZINC000867680279 596492773 /nfs/dbraw/zinc/49/27/73/596492773.db2.gz GECSNFQBDPFQQR-UHFFFAOYSA-N 1 1 328.394 1.095 20 5 EDBDMO C[N@@H+](CCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000863503081 596603212 /nfs/dbraw/zinc/60/32/12/596603212.db2.gz XJWUDEFZJONKCG-INIZCTEOSA-N 1 1 332.360 1.456 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+]2CCCCC2)cc1F ZINC000866497222 596893665 /nfs/dbraw/zinc/89/36/65/596893665.db2.gz HYQSSARYUMNTAF-UHFFFAOYSA-N 1 1 345.396 1.807 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000874097918 596927100 /nfs/dbraw/zinc/92/71/00/596927100.db2.gz GNNQXSVPDMNQHE-UHFFFAOYSA-N 1 1 348.403 1.784 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(Cn3cc(Br)c([N+](=O)[O-])n3)CC[C@H]21 ZINC000872726951 597048195 /nfs/dbraw/zinc/04/81/95/597048195.db2.gz XICNWLKUTOKFRM-GXSJLCMTSA-N 1 1 344.213 1.537 20 5 EDBDMO Cc1cn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000872785545 597067673 /nfs/dbraw/zinc/06/76/73/597067673.db2.gz UGYIFSVIQDRBIM-OKILXGFUSA-N 1 1 344.371 1.391 20 5 EDBDMO Cc1cn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000872785545 597067674 /nfs/dbraw/zinc/06/76/74/597067674.db2.gz UGYIFSVIQDRBIM-OKILXGFUSA-N 1 1 344.371 1.391 20 5 EDBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)S(C)(=O)=O ZINC000124370568 597177575 /nfs/dbraw/zinc/17/75/75/597177575.db2.gz XKNGAFJFHUURCE-UHFFFAOYSA-N 1 1 330.406 1.729 20 5 EDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)S(C)(=O)=O ZINC000124370568 597177577 /nfs/dbraw/zinc/17/75/77/597177577.db2.gz XKNGAFJFHUURCE-UHFFFAOYSA-N 1 1 330.406 1.729 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879516203 597613704 /nfs/dbraw/zinc/61/37/04/597613704.db2.gz MPIADVBJYDVGBK-UHFFFAOYSA-N 1 1 349.387 1.922 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574228 597637558 /nfs/dbraw/zinc/63/75/58/597637558.db2.gz BKOFTIPCXYRTER-CJNGLKHVSA-N 1 1 332.404 1.868 20 5 EDBDMO O=C(NCC[N@H+]1CC=CCC1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879824239 597731082 /nfs/dbraw/zinc/73/10/82/597731082.db2.gz XZYVXVCKPKFRMP-UHFFFAOYSA-N 1 1 347.371 1.748 20 5 EDBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879824239 597731085 /nfs/dbraw/zinc/73/10/85/597731085.db2.gz XZYVXVCKPKFRMP-UHFFFAOYSA-N 1 1 347.371 1.748 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879245261 597863335 /nfs/dbraw/zinc/86/33/35/597863335.db2.gz XCAWDLOLTLDQKC-FUHWJXTLSA-N 1 1 343.383 1.955 20 5 EDBDMO CO[C@@H]1COCC[C@H]1[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000880428581 597930141 /nfs/dbraw/zinc/93/01/41/597930141.db2.gz BTSKEMLZFFAPMI-HUUCEWRRSA-N 1 1 337.376 1.293 20 5 EDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000880428581 597930143 /nfs/dbraw/zinc/93/01/43/597930143.db2.gz BTSKEMLZFFAPMI-HUUCEWRRSA-N 1 1 337.376 1.293 20 5 EDBDMO COc1ccc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000880588180 597972824 /nfs/dbraw/zinc/97/28/24/597972824.db2.gz DJVOASLBNOHIMA-AWEZNQCLSA-N 1 1 336.388 1.967 20 5 EDBDMO C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@]2(C)C1 ZINC000918352472 697156752 /nfs/dbraw/zinc/15/67/52/697156752.db2.gz USHQWOMTOYUFJH-BETUJISGSA-N 1 1 345.446 1.619 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000174867451 697195738 /nfs/dbraw/zinc/19/57/38/697195738.db2.gz XNIWZBLEDJOIAN-LLVKDONJSA-N 1 1 347.335 1.281 20 5 EDBDMO CC1([NH2+]CC2CCOCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940109128 700222017 /nfs/dbraw/zinc/22/20/17/700222017.db2.gz LWCCVBXCBFRRIT-ZIAGYGMSSA-N 1 1 325.409 1.049 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000996430089 702783896 /nfs/dbraw/zinc/78/38/96/702783896.db2.gz ZNUYSTBKAYEALM-HUUCEWRRSA-N 1 1 339.342 1.711 20 5 EDBDMO Cc1n[nH]c(C)c1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001032057292 703458412 /nfs/dbraw/zinc/45/84/12/703458412.db2.gz FIZFTDZTDIULPN-UHFFFAOYSA-N 1 1 343.387 1.797 20 5 EDBDMO CO[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCS(=O)(=O)C1 ZINC000922614524 704136846 /nfs/dbraw/zinc/13/68/46/704136846.db2.gz FAGAZJQZTVGAPH-ZDUSSCGKSA-N 1 1 348.808 1.542 20 5 EDBDMO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1ccon1 ZINC001002389858 708886947 /nfs/dbraw/zinc/88/69/47/708886947.db2.gz BQZGEYQICYCBDP-UHFFFAOYSA-N 1 1 330.344 1.977 20 5 EDBDMO COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC001002783357 709389412 /nfs/dbraw/zinc/38/94/12/709389412.db2.gz RXMFHCKGQPOXOM-HZPDHXFCSA-N 1 1 333.388 1.441 20 5 EDBDMO C[N@H+]1CC[C@@](O)(CNc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000702624008 709688830 /nfs/dbraw/zinc/68/88/30/709688830.db2.gz IVBCZIKDFNYYEX-GFCCVEGCSA-N 1 1 330.182 1.836 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cnn[nH]1 ZINC001034679431 710661811 /nfs/dbraw/zinc/66/18/11/710661811.db2.gz PEZAWLZYLKHZOW-JOCQHMNTSA-N 1 1 344.375 1.544 20 5 EDBDMO CC1(C)CC[N@@H+](CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000557669693 306232666 /nfs/dbraw/zinc/23/26/66/306232666.db2.gz KTZATXIKJRTWRH-UHFFFAOYSA-N 1 1 333.388 1.916 20 5 EDBDMO CNC(=O)C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067376169 202056937 /nfs/dbraw/zinc/05/69/37/202056937.db2.gz WCHPCRFFUTVNBR-HNNXBMFYSA-N 1 1 346.387 1.158 20 5 EDBDMO COc1cc(C[N@H+]2CCCC[C@@H]2CC(N)=O)c([N+](=O)[O-])cc1OC ZINC000092588656 138289931 /nfs/dbraw/zinc/28/99/31/138289931.db2.gz AMYDIYAFIXZGOG-GFCCVEGCSA-N 1 1 337.376 1.842 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000124749243 138329271 /nfs/dbraw/zinc/32/92/71/138329271.db2.gz FDNNTIMARJGBOY-TXEJJXNPSA-N 1 1 325.390 1.418 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000124844480 138330205 /nfs/dbraw/zinc/33/02/05/138330205.db2.gz VBDRUKJHWBKINJ-PHIMTYICSA-N 1 1 341.389 1.118 20 5 EDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124941996 138330946 /nfs/dbraw/zinc/33/09/46/138330946.db2.gz NMTSJGHXJUJEIC-UHFFFAOYSA-N 1 1 335.451 1.975 20 5 EDBDMO Cc1nn(C)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126563192 138338384 /nfs/dbraw/zinc/33/83/84/138338384.db2.gz LBEQHFXEVVCYAG-TZMCWYRMSA-N 1 1 347.419 1.726 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000177084103 138721927 /nfs/dbraw/zinc/72/19/27/138721927.db2.gz AIGBOSKEJRLHHE-CQSZACIVSA-N 1 1 336.392 1.824 20 5 EDBDMO COC(=O)c1cnc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000414096890 304100076 /nfs/dbraw/zinc/10/00/76/304100076.db2.gz RDHSZYPXCNOSAE-MRVPVSSYSA-N 1 1 325.350 1.385 20 5 EDBDMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000340907510 296143444 /nfs/dbraw/zinc/14/34/44/296143444.db2.gz XLWSNXLLSVNZJP-AGIUHOORSA-N 1 1 348.403 1.358 20 5 EDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000363938228 284202890 /nfs/dbraw/zinc/20/28/90/284202890.db2.gz NRKKKZUFQJLPOC-RYUDHWBXSA-N 1 1 347.371 1.723 20 5 EDBDMO COc1ccc(S(=O)(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000104747509 204117633 /nfs/dbraw/zinc/11/76/33/204117633.db2.gz WVSHLYAOLMMGFI-NSHDSACASA-N 1 1 343.405 1.176 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000110997032 204330532 /nfs/dbraw/zinc/33/05/32/204330532.db2.gz QGDZXEWPUBNAKJ-CQSZACIVSA-N 1 1 349.387 1.777 20 5 EDBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111220120 220114149 /nfs/dbraw/zinc/11/41/49/220114149.db2.gz NYCONTHCZRUQOX-AAEUAGOBSA-N 1 1 346.387 1.070 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000131422817 205287739 /nfs/dbraw/zinc/28/77/39/205287739.db2.gz RQZBPLGIYXVDHJ-CYBMUJFWSA-N 1 1 337.376 1.132 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131195403 205277948 /nfs/dbraw/zinc/27/79/48/205277948.db2.gz PYSRYTCQMGKFNN-LBPRGKRZSA-N 1 1 329.422 1.745 20 5 EDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080405606 217302608 /nfs/dbraw/zinc/30/26/08/217302608.db2.gz UAYQROBERSFQGY-INIZCTEOSA-N 1 1 334.420 1.830 20 5 EDBDMO CCc1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000567769658 306462085 /nfs/dbraw/zinc/46/20/85/306462085.db2.gz KVNVPDRKEQQDEN-UHFFFAOYSA-N 1 1 341.433 1.921 20 5 EDBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161684394 206364462 /nfs/dbraw/zinc/36/44/62/206364462.db2.gz MRNDWCOGCRTTEU-CYBMUJFWSA-N 1 1 338.412 1.307 20 5 EDBDMO Cc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000248554952 139167316 /nfs/dbraw/zinc/16/73/16/139167316.db2.gz AQOITTMDEVXYMJ-STQMWFEESA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1cc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000248554952 139167317 /nfs/dbraw/zinc/16/73/17/139167317.db2.gz AQOITTMDEVXYMJ-STQMWFEESA-N 1 1 336.392 1.822 20 5 EDBDMO COc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000249119590 139186459 /nfs/dbraw/zinc/18/64/59/139186459.db2.gz TXVAAYGFMPAIDT-NEPJUHHUSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000249119590 139186460 /nfs/dbraw/zinc/18/64/60/139186460.db2.gz TXVAAYGFMPAIDT-NEPJUHHUSA-N 1 1 337.376 1.131 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261707229 139219405 /nfs/dbraw/zinc/21/94/05/139219405.db2.gz DISPVLQWHASYQF-AWEZNQCLSA-N 1 1 347.350 1.412 20 5 EDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000416307245 251062959 /nfs/dbraw/zinc/06/29/59/251062959.db2.gz KQBDKGAVMRYXEE-RYUDHWBXSA-N 1 1 339.367 1.190 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000416307245 251062962 /nfs/dbraw/zinc/06/29/62/251062962.db2.gz KQBDKGAVMRYXEE-RYUDHWBXSA-N 1 1 339.367 1.190 20 5 EDBDMO CCC[N@@H+](CC)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000175162907 207100406 /nfs/dbraw/zinc/10/04/06/207100406.db2.gz GLVIRQQVYABZDV-UHFFFAOYSA-N 1 1 330.410 1.386 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177193674 207305593 /nfs/dbraw/zinc/30/55/93/207305593.db2.gz ZIWNDXCQIWACET-YPMHNXCESA-N 1 1 347.371 1.528 20 5 EDBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CN1 ZINC000377394221 296344190 /nfs/dbraw/zinc/34/41/90/296344190.db2.gz ALHLUISQILAHCL-TZMCWYRMSA-N 1 1 348.359 1.994 20 5 EDBDMO C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488737097 255051504 /nfs/dbraw/zinc/05/15/04/255051504.db2.gz WJSHCSRDPBBJJZ-VHSXEESVSA-N 1 1 327.768 1.889 20 5 EDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488737097 255051506 /nfs/dbraw/zinc/05/15/06/255051506.db2.gz WJSHCSRDPBBJJZ-VHSXEESVSA-N 1 1 327.768 1.889 20 5 EDBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270996749 140216779 /nfs/dbraw/zinc/21/67/79/140216779.db2.gz PAWGBLFHJCEIJY-GFCCVEGCSA-N 1 1 343.387 1.119 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1cnccn1 ZINC000271410304 140292292 /nfs/dbraw/zinc/29/22/92/140292292.db2.gz YQMOUOLGDZWWCF-LBPRGKRZSA-N 1 1 329.360 1.886 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1cnccn1 ZINC000271410304 140292293 /nfs/dbraw/zinc/29/22/93/140292293.db2.gz YQMOUOLGDZWWCF-LBPRGKRZSA-N 1 1 329.360 1.886 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416298086 304305382 /nfs/dbraw/zinc/30/53/82/304305382.db2.gz QLDRVILBBBVATM-GHMZBOCLSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416298086 304305383 /nfs/dbraw/zinc/30/53/83/304305383.db2.gz QLDRVILBBBVATM-GHMZBOCLSA-N 1 1 341.795 1.775 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000331999754 141108680 /nfs/dbraw/zinc/10/86/80/141108680.db2.gz VJNUOTFZSBBGKJ-IIAWOOMASA-N 1 1 349.387 1.840 20 5 EDBDMO COc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000339334008 142019307 /nfs/dbraw/zinc/01/93/07/142019307.db2.gz DUQQDSBYSHDJKZ-RWMBFGLXSA-N 1 1 340.376 1.452 20 5 EDBDMO CO[C@@H]1C[C@H](CO)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000344704538 143000870 /nfs/dbraw/zinc/00/08/70/143000870.db2.gz HOCKYWXICYTYNR-ZIAGYGMSSA-N 1 1 337.376 1.313 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000345896572 143144446 /nfs/dbraw/zinc/14/44/46/143144446.db2.gz ADNDQWBORBKZOV-VXGBXAGGSA-N 1 1 337.424 1.739 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C(N)=O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000346664684 143228601 /nfs/dbraw/zinc/22/86/01/143228601.db2.gz OFAXIGTVCBIQIS-USWWRNFRSA-N 1 1 334.376 1.283 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000347943364 143382092 /nfs/dbraw/zinc/38/20/92/143382092.db2.gz OYUPTZVSYAUREL-VXGBXAGGSA-N 1 1 339.367 1.674 20 5 EDBDMO Cc1c(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000416742740 304346515 /nfs/dbraw/zinc/34/65/15/304346515.db2.gz YTGKMYBVQVYEEH-VXGBXAGGSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1c(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000416742740 304346517 /nfs/dbraw/zinc/34/65/17/304346517.db2.gz YTGKMYBVQVYEEH-VXGBXAGGSA-N 1 1 336.392 1.822 20 5 EDBDMO COc1cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000352873415 149197838 /nfs/dbraw/zinc/19/78/38/149197838.db2.gz GPHRWNHUCOKPRS-UKRRQHHQSA-N 1 1 335.404 1.898 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000353216338 149327961 /nfs/dbraw/zinc/32/79/61/149327961.db2.gz FJDKGMCZBTZABH-MNOVXSKESA-N 1 1 325.365 1.897 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000353216338 149327963 /nfs/dbraw/zinc/32/79/63/149327963.db2.gz FJDKGMCZBTZABH-MNOVXSKESA-N 1 1 325.365 1.897 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([N@@H+](C)CCO)CC1 ZINC000353266575 149345550 /nfs/dbraw/zinc/34/55/50/149345550.db2.gz ZUOUEVMBFMJKMW-UHFFFAOYSA-N 1 1 337.420 1.882 20 5 EDBDMO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000354886283 150011560 /nfs/dbraw/zinc/01/15/60/150011560.db2.gz AWIKLHDOVBSONL-KBRIMQKVSA-N 1 1 346.387 1.614 20 5 EDBDMO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000354886283 150011561 /nfs/dbraw/zinc/01/15/61/150011561.db2.gz AWIKLHDOVBSONL-KBRIMQKVSA-N 1 1 346.387 1.614 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000355526821 150303649 /nfs/dbraw/zinc/30/36/49/150303649.db2.gz LUVOCDIPBPTOOE-GFCCVEGCSA-N 1 1 336.392 1.839 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000357426853 151029737 /nfs/dbraw/zinc/02/97/37/151029737.db2.gz ZWVDMNUDCPTGQV-JSGCOSHPSA-N 1 1 348.403 1.314 20 5 EDBDMO CC[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C[C@H](C)O ZINC000361265925 152349150 /nfs/dbraw/zinc/34/91/50/152349150.db2.gz LOHGHZHZLPBNRC-STQMWFEESA-N 1 1 347.419 1.748 20 5 EDBDMO CCN1CCO[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363072209 152890128 /nfs/dbraw/zinc/89/01/28/152890128.db2.gz GSVHLMQOFPCNLH-KRWDZBQOSA-N 1 1 334.420 1.438 20 5 EDBDMO CC[N@@H+]1CCO[C@H](CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363072209 152890132 /nfs/dbraw/zinc/89/01/32/152890132.db2.gz GSVHLMQOFPCNLH-KRWDZBQOSA-N 1 1 334.420 1.438 20 5 EDBDMO CC[N@H+]1CCO[C@H](CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363072209 152890133 /nfs/dbraw/zinc/89/01/33/152890133.db2.gz GSVHLMQOFPCNLH-KRWDZBQOSA-N 1 1 334.420 1.438 20 5 EDBDMO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363593484 153008799 /nfs/dbraw/zinc/00/87/99/153008799.db2.gz YPRCHDRPVKTNAE-KBPBESRZSA-N 1 1 335.408 1.657 20 5 EDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000364904449 153365527 /nfs/dbraw/zinc/36/55/27/153365527.db2.gz HYFKLPJSUIPMCR-UHFFFAOYSA-N 1 1 330.348 1.271 20 5 EDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000367984115 154355697 /nfs/dbraw/zinc/35/56/97/154355697.db2.gz UFNHJHACZIFTOI-JTQLQIEISA-N 1 1 331.332 1.342 20 5 EDBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1C(F)F ZINC000368007567 154366391 /nfs/dbraw/zinc/36/63/91/154366391.db2.gz QXCUMWBYQRJYBD-ZDUSSCGKSA-N 1 1 342.346 1.852 20 5 EDBDMO C[C@H]1OCC[C@@]12C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000369414790 155021289 /nfs/dbraw/zinc/02/12/89/155021289.db2.gz XZYKHHIZTHAGQH-CXAGYDPISA-N 1 1 349.387 1.803 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000371689482 156064378 /nfs/dbraw/zinc/06/43/78/156064378.db2.gz PPBFVGCSTKVLFP-KBPBESRZSA-N 1 1 347.375 1.091 20 5 EDBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374415456 157283422 /nfs/dbraw/zinc/28/34/22/157283422.db2.gz NAKVJIANEDBZPR-RYUDHWBXSA-N 1 1 325.438 1.514 20 5 EDBDMO Cc1cc(N2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000377918819 158028578 /nfs/dbraw/zinc/02/85/78/158028578.db2.gz SIKKQXSLGUENIC-CABCVRRESA-N 1 1 349.435 1.139 20 5 EDBDMO Cc1cc(N2CC[N@H+](C[C@@H]3CN(C)CCO3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000377918819 158028580 /nfs/dbraw/zinc/02/85/80/158028580.db2.gz SIKKQXSLGUENIC-CABCVRRESA-N 1 1 349.435 1.139 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC=C(c3cccnc3)CC2)c1 ZINC000378346601 158147791 /nfs/dbraw/zinc/14/77/91/158147791.db2.gz GFCJFXFIRDRZRS-INIZCTEOSA-N 1 1 329.360 1.337 20 5 EDBDMO NC(=O)C1([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 ZINC000378434694 158172690 /nfs/dbraw/zinc/17/26/90/158172690.db2.gz LDEGHAGIUPEBCF-UHFFFAOYSA-N 1 1 332.404 1.905 20 5 EDBDMO Cc1cn2cc(Nc3cccc(S(N)(=O)=O)c3[N+](=O)[O-])ccc2[nH+]1 ZINC000352367804 162143649 /nfs/dbraw/zinc/14/36/49/162143649.db2.gz BFNKDORFDZMKOF-UHFFFAOYSA-N 1 1 347.356 1.942 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000352501730 162215661 /nfs/dbraw/zinc/21/56/61/162215661.db2.gz WVWNOLWELFEKAQ-LBPRGKRZSA-N 1 1 345.396 1.887 20 5 EDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366313244 162376407 /nfs/dbraw/zinc/37/64/07/162376407.db2.gz OVHPEPLZHIQHRF-KBPBESRZSA-N 1 1 347.371 1.477 20 5 EDBDMO COCCN1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122386594 222075920 /nfs/dbraw/zinc/07/59/20/222075920.db2.gz YIWRRSPPYZMKNS-UHFFFAOYSA-N 1 1 336.392 1.187 20 5 EDBDMO [NH3+]CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237813441 273013091 /nfs/dbraw/zinc/01/30/91/273013091.db2.gz LHCUOCWKVGIQNA-UHFFFAOYSA-N 1 1 328.177 1.529 20 5 EDBDMO CCC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000273381484 268038233 /nfs/dbraw/zinc/03/82/33/268038233.db2.gz SZEDIZJWYDTDEX-CYBMUJFWSA-N 1 1 326.393 1.817 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000275187584 268292993 /nfs/dbraw/zinc/29/29/93/268292993.db2.gz OIPLWYFUAGKBBT-SMDDNHRTSA-N 1 1 347.375 1.287 20 5 EDBDMO COC(=O)C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273106047 273028699 /nfs/dbraw/zinc/02/86/99/273028699.db2.gz FSCMWLIOSWKPSG-OLZOCXBDSA-N 1 1 338.360 1.362 20 5 EDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280615664 273378090 /nfs/dbraw/zinc/37/80/90/273378090.db2.gz WFMJHCIEQWNPGM-SUMWQHHRSA-N 1 1 349.387 1.803 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000280709801 273388622 /nfs/dbraw/zinc/38/86/22/273388622.db2.gz LFHDLFRMGGGWRM-UHFFFAOYSA-N 1 1 338.412 1.084 20 5 EDBDMO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000282455584 273654983 /nfs/dbraw/zinc/65/49/83/273654983.db2.gz SRRNPNSNPAIPKJ-SKDRFNHKSA-N 1 1 331.332 1.402 20 5 EDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000284593900 274257100 /nfs/dbraw/zinc/25/71/00/274257100.db2.gz AGRRHMJLUJIEFM-INIZCTEOSA-N 1 1 337.376 1.194 20 5 EDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000284593900 274257103 /nfs/dbraw/zinc/25/71/03/274257103.db2.gz AGRRHMJLUJIEFM-INIZCTEOSA-N 1 1 337.376 1.194 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000284831990 274350233 /nfs/dbraw/zinc/35/02/33/274350233.db2.gz OZQFMTJXBPTODH-BRWVUGGUSA-N 1 1 336.388 1.835 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000284831990 274350234 /nfs/dbraw/zinc/35/02/34/274350234.db2.gz OZQFMTJXBPTODH-BRWVUGGUSA-N 1 1 336.388 1.835 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000284847018 274357263 /nfs/dbraw/zinc/35/72/63/274357263.db2.gz QDOIPXIFSILPCR-NUEKZKHPSA-N 1 1 336.388 1.835 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000284847018 274357264 /nfs/dbraw/zinc/35/72/64/274357264.db2.gz QDOIPXIFSILPCR-NUEKZKHPSA-N 1 1 336.388 1.835 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000419007872 274368865 /nfs/dbraw/zinc/36/88/65/274368865.db2.gz SKUMXFMEIDVINM-NXEZZACHSA-N 1 1 325.394 1.195 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCN(c3ncccn3)CC2)cc1 ZINC000369330584 275037323 /nfs/dbraw/zinc/03/73/23/275037323.db2.gz SINIGYXLVBENOU-UHFFFAOYSA-N 1 1 343.387 1.976 20 5 EDBDMO O=c1[nH]c(N2CC[NH+]([C@H]3CCOC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000376404240 275039072 /nfs/dbraw/zinc/03/90/72/275039072.db2.gz WGABLKTWCMEAOQ-LBPRGKRZSA-N 1 1 345.359 1.155 20 5 EDBDMO CCOCC[N@@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000342221839 276323785 /nfs/dbraw/zinc/32/37/85/276323785.db2.gz KHAKPLFDLFPXKW-LBPRGKRZSA-N 1 1 336.392 1.241 20 5 EDBDMO CCOCC[N@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000342221839 276323786 /nfs/dbraw/zinc/32/37/86/276323786.db2.gz KHAKPLFDLFPXKW-LBPRGKRZSA-N 1 1 336.392 1.241 20 5 EDBDMO CC[N@H+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286555149 288033415 /nfs/dbraw/zinc/03/34/15/288033415.db2.gz AAGVJKYIQCTJSJ-LBPRGKRZSA-N 1 1 335.360 1.339 20 5 EDBDMO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261941517 278467449 /nfs/dbraw/zinc/46/74/49/278467449.db2.gz UUVXTRNZNAGWCB-YGRLFVJLSA-N 1 1 345.396 1.920 20 5 EDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000286668875 288058385 /nfs/dbraw/zinc/05/83/85/288058385.db2.gz KMMDAHSYFZTKGV-OAHLLOKOSA-N 1 1 349.435 1.025 20 5 EDBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@H](C)OC ZINC000291160760 289010072 /nfs/dbraw/zinc/01/00/72/289010072.db2.gz FTKACOPVTOBQSP-NSHDSACASA-N 1 1 325.365 1.899 20 5 EDBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@H](C)OC ZINC000291160760 289010073 /nfs/dbraw/zinc/01/00/73/289010073.db2.gz FTKACOPVTOBQSP-NSHDSACASA-N 1 1 325.365 1.899 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292139078 289270920 /nfs/dbraw/zinc/27/09/20/289270920.db2.gz YUNYBWOIDLIUFQ-HNNXBMFYSA-N 1 1 339.417 1.452 20 5 EDBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000295087118 303171688 /nfs/dbraw/zinc/17/16/88/303171688.db2.gz BNYUZKOLBFPCGG-QWHCGFSZSA-N 1 1 329.360 1.072 20 5 EDBDMO CC[C@H](C)[NH+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295265754 303196949 /nfs/dbraw/zinc/19/69/49/303196949.db2.gz HGRSSYBALNTWOP-ZDUSSCGKSA-N 1 1 341.433 1.841 20 5 EDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000295368234 303209961 /nfs/dbraw/zinc/20/99/61/303209961.db2.gz GEPNXAISRLUCKF-LBPRGKRZSA-N 1 1 341.795 1.825 20 5 EDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295530476 303230538 /nfs/dbraw/zinc/23/05/38/303230538.db2.gz VJXHBKUIEJSQQM-SJORKVTESA-N 1 1 335.404 1.769 20 5 EDBDMO CN(C)C(=O)O[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295703191 303255316 /nfs/dbraw/zinc/25/53/16/303255316.db2.gz UDCSPCWGWOKQQU-HUUCEWRRSA-N 1 1 337.376 1.791 20 5 EDBDMO CN(C)C(=O)O[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295703191 303255317 /nfs/dbraw/zinc/25/53/17/303255317.db2.gz UDCSPCWGWOKQQU-HUUCEWRRSA-N 1 1 337.376 1.791 20 5 EDBDMO C[C@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000296242083 303304005 /nfs/dbraw/zinc/30/40/05/303304005.db2.gz NMQGVGHRSZSOBA-HZMBPMFUSA-N 1 1 325.340 1.908 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000297010329 303353837 /nfs/dbraw/zinc/35/38/37/303353837.db2.gz VMZUUIHECFBUNZ-ZDUSSCGKSA-N 1 1 336.392 1.872 20 5 EDBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000301701073 303690373 /nfs/dbraw/zinc/69/03/73/303690373.db2.gz FVXKSURJCHTPMM-GFCCVEGCSA-N 1 1 343.387 1.886 20 5 EDBDMO NC(=O)c1c[nH+]ccc1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000302796597 303734994 /nfs/dbraw/zinc/73/49/94/303734994.db2.gz QDJJLMLGCLGQLQ-SNVBAGLBSA-N 1 1 328.332 1.175 20 5 EDBDMO COCC(COC)[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000411857726 303925388 /nfs/dbraw/zinc/92/53/88/303925388.db2.gz IDCBYGANLOLLQX-CQSZACIVSA-N 1 1 337.420 1.935 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000299353443 304806637 /nfs/dbraw/zinc/80/66/37/304806637.db2.gz BVPPSHXIBJGTPA-UHFFFAOYSA-N 1 1 345.396 1.888 20 5 EDBDMO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CC[N@H+]1C[C@@H](C)O ZINC000430231208 305048092 /nfs/dbraw/zinc/04/80/92/305048092.db2.gz XMZGNVLFHUYBGX-HIFRSBDPSA-N 1 1 337.420 1.880 20 5 EDBDMO CCOC(=O)CC[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000435995474 305150638 /nfs/dbraw/zinc/15/06/38/305150638.db2.gz QNKZJYGWAVCGCU-UHFFFAOYSA-N 1 1 339.348 1.427 20 5 EDBDMO CCOC(=O)CC[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000435995474 305150639 /nfs/dbraw/zinc/15/06/39/305150639.db2.gz QNKZJYGWAVCGCU-UHFFFAOYSA-N 1 1 339.348 1.427 20 5 EDBDMO C[C@H](NC(=O)NCC[N@H+]1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000446655292 305268585 /nfs/dbraw/zinc/26/85/85/305268585.db2.gz VNQWWVUVVOCKJP-ZDUSSCGKSA-N 1 1 336.392 1.677 20 5 EDBDMO C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCO1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000447912781 305288856 /nfs/dbraw/zinc/28/88/56/305288856.db2.gz HJNYIPSWBOUDMC-BPNCWPANSA-N 1 1 348.359 1.835 20 5 EDBDMO C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448570358 305298526 /nfs/dbraw/zinc/29/85/26/305298526.db2.gz UAVJTQPTFLEKIO-UHFFFAOYSA-N 1 1 329.360 1.558 20 5 EDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1 ZINC000451301660 305337566 /nfs/dbraw/zinc/33/75/66/305337566.db2.gz OCAXKCNAHDKEOJ-YSVLISHTSA-N 1 1 336.388 1.835 20 5 EDBDMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549664 305352867 /nfs/dbraw/zinc/35/28/67/305352867.db2.gz PZPSOXONJJESRG-CYBMUJFWSA-N 1 1 334.376 1.620 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532174918 305975941 /nfs/dbraw/zinc/97/59/41/305975941.db2.gz IKAMBKKSWWQRLU-KBPBESRZSA-N 1 1 336.392 1.307 20 5 EDBDMO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1=CC[N@@H+](C)CC1 ZINC000543758792 306069748 /nfs/dbraw/zinc/06/97/48/306069748.db2.gz TYWRYNIPHHIUGK-JTQLQIEISA-N 1 1 333.344 1.704 20 5 EDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000551906538 306167454 /nfs/dbraw/zinc/16/74/54/306167454.db2.gz IJDCDAIWMWYAAS-ZDUSSCGKSA-N 1 1 334.376 1.394 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000551906538 306167455 /nfs/dbraw/zinc/16/74/55/306167455.db2.gz IJDCDAIWMWYAAS-ZDUSSCGKSA-N 1 1 334.376 1.394 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1Cc1ccccc1 ZINC000552805111 306181474 /nfs/dbraw/zinc/18/14/74/306181474.db2.gz XPTAPWGVNBZLOX-INIZCTEOSA-N 1 1 340.383 1.989 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1Cc1ccccc1 ZINC000552805111 306181475 /nfs/dbraw/zinc/18/14/75/306181475.db2.gz XPTAPWGVNBZLOX-INIZCTEOSA-N 1 1 340.383 1.989 20 5 EDBDMO CC1(C)C[NH+](CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000553184220 306183606 /nfs/dbraw/zinc/18/36/06/306183606.db2.gz ZIDDPBQYZBQUAU-UHFFFAOYSA-N 1 1 332.404 1.585 20 5 EDBDMO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000493753786 447388355 /nfs/dbraw/zinc/38/83/55/447388355.db2.gz JVLSRQHRFMPOII-RNBGUABESA-N 1 1 333.388 1.522 20 5 EDBDMO C[N@H+]1CCO[C@@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C[C@@H]21 ZINC000377980975 447393697 /nfs/dbraw/zinc/39/36/97/447393697.db2.gz BZLKSMRLWDMJSZ-WDEREUQCSA-N 1 1 332.282 1.528 20 5 EDBDMO COc1cc(OCC(=O)N[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000057554630 441122332 /nfs/dbraw/zinc/12/23/32/441122332.db2.gz CTIBUZDDPBOLGG-NSHDSACASA-N 1 1 335.360 1.335 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000104076125 441189419 /nfs/dbraw/zinc/18/94/19/441189419.db2.gz WMELCHKAOIEZGE-STQMWFEESA-N 1 1 348.403 1.818 20 5 EDBDMO CCOC[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000081523031 441281687 /nfs/dbraw/zinc/28/16/87/441281687.db2.gz TVBWYKXUQACNRD-ZDUSSCGKSA-N 1 1 333.388 1.842 20 5 EDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000081941562 441325468 /nfs/dbraw/zinc/32/54/68/441325468.db2.gz JVIGKDKCIKJYIU-SNVBAGLBSA-N 1 1 344.213 1.410 20 5 EDBDMO CNC(=O)c1ccc(NCc2c[nH+]c(N(C)C)n2C)c([N+](=O)[O-])c1 ZINC000074259695 441414340 /nfs/dbraw/zinc/41/43/40/441414340.db2.gz DXSNJNKOQSGHDU-UHFFFAOYSA-N 1 1 332.364 1.366 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000028014039 441422590 /nfs/dbraw/zinc/42/25/90/441422590.db2.gz JXCCFNYQCRCYTK-LLVKDONJSA-N 1 1 327.406 1.743 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108561080 441464708 /nfs/dbraw/zinc/46/47/08/441464708.db2.gz VNHXSFVGGDILJZ-CQSZACIVSA-N 1 1 348.403 1.887 20 5 EDBDMO C[N@@H+](CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000066924616 441589488 /nfs/dbraw/zinc/58/94/88/441589488.db2.gz UZKFHGHXIYBCGZ-UHFFFAOYSA-N 1 1 329.360 1.605 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000067118767 441606241 /nfs/dbraw/zinc/60/62/41/441606241.db2.gz FFFMVCPBFYWKLR-GFCCVEGCSA-N 1 1 329.422 1.912 20 5 EDBDMO Cc1sc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000114379774 441650804 /nfs/dbraw/zinc/65/08/04/441650804.db2.gz KOJDUCJYPZDTEE-LLVKDONJSA-N 1 1 340.449 1.578 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(C)(C)O ZINC000114728232 441678561 /nfs/dbraw/zinc/67/85/61/441678561.db2.gz DHLLYEKFPQZUBF-UHFFFAOYSA-N 1 1 325.365 1.635 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000067823438 441683563 /nfs/dbraw/zinc/68/35/63/441683563.db2.gz SGQIQLGPWOTRBK-OAHLLOKOSA-N 1 1 343.387 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MBLYJMCKUNNQDR-TXEJJXNPSA-N 1 1 336.392 1.239 20 5 EDBDMO C[N@@H+]1CCO[C@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000279317659 443554344 /nfs/dbraw/zinc/55/43/44/443554344.db2.gz OJBQGXNJIUPGQL-LBPRGKRZSA-N 1 1 347.293 1.560 20 5 EDBDMO C[N@H+]1CCO[C@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000279317659 443554347 /nfs/dbraw/zinc/55/43/47/443554347.db2.gz OJBQGXNJIUPGQL-LBPRGKRZSA-N 1 1 347.293 1.560 20 5 EDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286077665 443641008 /nfs/dbraw/zinc/64/10/08/443641008.db2.gz HBHDOLLMNLFMFT-GIPNMCIBSA-N 1 1 345.359 1.759 20 5 EDBDMO CCN1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000449521067 320193711 /nfs/dbraw/zinc/19/37/11/320193711.db2.gz UDCVDLLSCULNDY-SNVBAGLBSA-N 1 1 329.303 1.907 20 5 EDBDMO CC(C)[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000487983554 320357080 /nfs/dbraw/zinc/35/70/80/320357080.db2.gz VVWSKDHHNBAOCP-GDBMZVCRSA-N 1 1 337.420 1.607 20 5 EDBDMO 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ZINC000301685795 444184992 /nfs/dbraw/zinc/18/49/92/444184992.db2.gz WUCNRPDSEWUEMM-HZPDHXFCSA-N 1 1 346.387 1.006 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000305650663 444271662 /nfs/dbraw/zinc/27/16/62/444271662.db2.gz DFCRAZSMMLEUFT-AWEZNQCLSA-N 1 1 335.404 1.870 20 5 EDBDMO Cc1cnn([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289986936 444227437 /nfs/dbraw/zinc/22/74/37/444227437.db2.gz SBWDAUMKUZLBRL-HUUCEWRRSA-N 1 1 346.387 1.786 20 5 EDBDMO C[N@@H+](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000290648279 444305968 /nfs/dbraw/zinc/30/59/68/444305968.db2.gz OOGYXUKYAKTHDK-UHFFFAOYSA-N 1 1 329.360 1.633 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000290686580 444310800 /nfs/dbraw/zinc/31/08/00/444310800.db2.gz FCMCXGNXQDBVHC-ZDUSSCGKSA-N 1 1 334.376 1.306 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1CO ZINC000305744924 444277264 /nfs/dbraw/zinc/27/72/64/444277264.db2.gz UWTOXJCMOHORES-SWLSCSKDSA-N 1 1 349.387 1.986 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000323674619 444344884 /nfs/dbraw/zinc/34/48/84/444344884.db2.gz XNKAWIXVVMEVFO-LBPRGKRZSA-N 1 1 336.314 1.879 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343975195 444704174 /nfs/dbraw/zinc/70/41/74/444704174.db2.gz RMQTYHVZRGTAJX-TZMCWYRMSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343975195 444704176 /nfs/dbraw/zinc/70/41/76/444704176.db2.gz RMQTYHVZRGTAJX-TZMCWYRMSA-N 1 1 341.433 1.973 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000344001994 444720519 /nfs/dbraw/zinc/72/05/19/444720519.db2.gz UCODQHMNANRCLE-LBPRGKRZSA-N 1 1 336.392 2.371 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344019345 444731844 /nfs/dbraw/zinc/73/18/44/444731844.db2.gz FRCGZOKXNKTPIY-NORZTCDRSA-N 1 1 349.387 1.635 20 5 EDBDMO COc1cc(C[N@H+]2CCC[C@@](O)(Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000343944991 444685889 /nfs/dbraw/zinc/68/58/89/444685889.db2.gz HKPNQXUMIUWMNC-INIZCTEOSA-N 1 1 347.375 1.222 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000344050811 444750554 /nfs/dbraw/zinc/75/05/54/444750554.db2.gz HYPCOJNKBZTIDH-WOSRLPQWSA-N 1 1 333.388 1.935 20 5 EDBDMO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344087631 444775378 /nfs/dbraw/zinc/77/53/78/444775378.db2.gz UQZGERFENBGCCL-PXWWUCIGSA-N 1 1 339.779 1.889 20 5 EDBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344087631 444775383 /nfs/dbraw/zinc/77/53/83/444775383.db2.gz UQZGERFENBGCCL-PXWWUCIGSA-N 1 1 339.779 1.889 20 5 EDBDMO CCC[N@H+](CC(=O)N(C)C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342689343 444814616 /nfs/dbraw/zinc/81/46/16/444814616.db2.gz FACRYVIWNOWWLA-ZDUSSCGKSA-N 1 1 339.392 1.135 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000344432167 444966336 /nfs/dbraw/zinc/96/63/36/444966336.db2.gz SRJQGJGWNDJYAW-WCQYABFASA-N 1 1 334.376 1.441 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000344440836 444973726 /nfs/dbraw/zinc/97/37/26/444973726.db2.gz YITSPGIDKGYBGW-DGCLKSJQSA-N 1 1 334.376 1.441 20 5 EDBDMO Cn1cc(C[N@@H+]2CC[C@](F)(CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338994771 444976263 /nfs/dbraw/zinc/97/62/63/444976263.db2.gz BEGHDBGTLKVCPE-MRXNPFEDSA-N 1 1 334.351 1.902 20 5 EDBDMO Cn1cc(C[N@H+]2CC[C@](F)(CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338994771 444976264 /nfs/dbraw/zinc/97/62/64/444976264.db2.gz BEGHDBGTLKVCPE-MRXNPFEDSA-N 1 1 334.351 1.902 20 5 EDBDMO COc1c(C(=O)N(C)C[C@H]2C[C@@H](OC)C[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000344508308 445021797 /nfs/dbraw/zinc/02/17/97/445021797.db2.gz GCWOKUPVRRDPRV-VXGBXAGGSA-N 1 1 337.376 1.395 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341850885 445034340 /nfs/dbraw/zinc/03/43/40/445034340.db2.gz XQPWGKLFJSKWEA-CYBMUJFWSA-N 1 1 348.403 1.220 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000330587293 445048216 /nfs/dbraw/zinc/04/82/16/445048216.db2.gz MEDICGJLTRDJJC-NWDGAFQWSA-N 1 1 336.392 1.566 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330596125 445053061 /nfs/dbraw/zinc/05/30/61/445053061.db2.gz XYMKZEFTDIUXBM-ZIAGYGMSSA-N 1 1 334.420 1.972 20 5 EDBDMO CN(C(=O)C[N@H+]1CCCC[C@H]1CC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000339140730 445053075 /nfs/dbraw/zinc/05/30/75/445053075.db2.gz MNXICSGTMQKMFL-AWEZNQCLSA-N 1 1 334.376 1.288 20 5 EDBDMO CO[C@@H]1C[C@H](c2nncn2C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000344561348 445060509 /nfs/dbraw/zinc/06/05/09/445060509.db2.gz CKKCHPYOZXBVJE-HUUCEWRRSA-N 1 1 331.376 1.728 20 5 EDBDMO CO[C@@H]1C[C@H](c2nncn2C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000344561348 445060514 /nfs/dbraw/zinc/06/05/14/445060514.db2.gz CKKCHPYOZXBVJE-HUUCEWRRSA-N 1 1 331.376 1.728 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000341981032 445106984 /nfs/dbraw/zinc/10/69/84/445106984.db2.gz DPBQYBCPYJGYKD-NVXWUHKLSA-N 1 1 336.388 1.837 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000330871121 445174574 /nfs/dbraw/zinc/17/45/74/445174574.db2.gz QWZBTMFUBAIXKJ-LBPRGKRZSA-N 1 1 327.406 1.605 20 5 EDBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000343291666 445184048 /nfs/dbraw/zinc/18/40/48/445184048.db2.gz SLCVXUSTOJSWLL-OLZOCXBDSA-N 1 1 343.387 1.837 20 5 EDBDMO Cc1cc(C(=O)NCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330810177 445149837 /nfs/dbraw/zinc/14/98/37/445149837.db2.gz OCWRAPSTNGQYEX-GXTWGEPZSA-N 1 1 348.403 1.232 20 5 EDBDMO C[C@@H]1[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343483386 445231550 /nfs/dbraw/zinc/23/15/50/445231550.db2.gz DRFZTRLVBUGIHE-TZMCWYRMSA-N 1 1 343.387 1.993 20 5 EDBDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000359649025 445355997 /nfs/dbraw/zinc/35/59/97/445355997.db2.gz QSLMXVXASBJZQJ-MRXNPFEDSA-N 1 1 349.387 1.425 20 5 EDBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000359649025 445356000 /nfs/dbraw/zinc/35/60/00/445356000.db2.gz QSLMXVXASBJZQJ-MRXNPFEDSA-N 1 1 349.387 1.425 20 5 EDBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357240163 445500470 /nfs/dbraw/zinc/50/04/70/445500470.db2.gz QEGYDIMYVVFZGC-LLVKDONJSA-N 1 1 344.375 1.689 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CC1(O)CCC1 ZINC000353486303 445624904 /nfs/dbraw/zinc/62/49/04/445624904.db2.gz AZXTWRZHEHLDIA-NSHDSACASA-N 1 1 337.376 1.777 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000356161025 445654942 /nfs/dbraw/zinc/65/49/42/445654942.db2.gz CBVNQZCRMBRNGU-UHFFFAOYSA-N 1 1 343.387 1.329 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000356498281 445823842 /nfs/dbraw/zinc/82/38/42/445823842.db2.gz PXGBWWKTMBZIAC-UHFFFAOYSA-N 1 1 331.376 1.580 20 5 EDBDMO O=C(CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363415449 445794991 /nfs/dbraw/zinc/79/49/91/445794991.db2.gz WNDOQFUYLUZLDP-FMKPAKJESA-N 1 1 344.415 1.949 20 5 EDBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000354056655 445879554 /nfs/dbraw/zinc/87/95/54/445879554.db2.gz KUWRWTMBSKSUNJ-BTKRWWFXSA-N 1 1 339.417 1.622 20 5 EDBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000354056655 445879559 /nfs/dbraw/zinc/87/95/59/445879559.db2.gz KUWRWTMBSKSUNJ-BTKRWWFXSA-N 1 1 339.417 1.622 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000365973987 445936622 /nfs/dbraw/zinc/93/66/22/445936622.db2.gz XHOPJXPWUNKTOJ-GFCCVEGCSA-N 1 1 334.376 1.315 20 5 EDBDMO CC(C)N1CCC[C@H]([N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000364325952 445911733 /nfs/dbraw/zinc/91/17/33/445911733.db2.gz SMSUHGSSWAFPGO-ZFWWWQNUSA-N 1 1 335.408 1.828 20 5 EDBDMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000369272932 446038859 /nfs/dbraw/zinc/03/88/59/446038859.db2.gz DMZGKVRNXVFIIZ-HNNXBMFYSA-N 1 1 346.431 1.802 20 5 EDBDMO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000369272932 446038863 /nfs/dbraw/zinc/03/88/63/446038863.db2.gz DMZGKVRNXVFIIZ-HNNXBMFYSA-N 1 1 346.431 1.802 20 5 EDBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000369319917 446071306 /nfs/dbraw/zinc/07/13/06/446071306.db2.gz SBOWEXMMDLIZRC-LLVKDONJSA-N 1 1 334.376 1.784 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354282845 446078996 /nfs/dbraw/zinc/07/89/96/446078996.db2.gz PQVGNAGFTJNCKH-LLVKDONJSA-N 1 1 325.390 1.418 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000354282845 446079001 /nfs/dbraw/zinc/07/90/01/446079001.db2.gz PQVGNAGFTJNCKH-LLVKDONJSA-N 1 1 325.390 1.418 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H]4C[NH2+]C[C@@H]4C3)o2)c1 ZINC000359300684 446133681 /nfs/dbraw/zinc/13/36/81/446133681.db2.gz HLCSXVUBBQVWCC-ZIAGYGMSSA-N 1 1 328.372 1.944 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369360880 446102129 /nfs/dbraw/zinc/10/21/29/446102129.db2.gz YYCIPVNKNSMKEC-KRWDZBQOSA-N 1 1 348.447 1.685 20 5 EDBDMO Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373239254 446115776 /nfs/dbraw/zinc/11/57/76/446115776.db2.gz CDWUNQANYFXIST-UHFFFAOYSA-N 1 1 347.379 1.407 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000370416175 446268840 /nfs/dbraw/zinc/26/88/40/446268840.db2.gz XJJCFWASDQLBPQ-UHFFFAOYSA-N 1 1 336.392 1.217 20 5 EDBDMO Cc1cc(C2=CC[N@@H+](C[C@@H]3CNC(=O)O3)CC2)cc([N+](=O)[O-])c1N ZINC000366780302 446346754 /nfs/dbraw/zinc/34/67/54/446346754.db2.gz OLQVYASMRLZHBH-ZDUSSCGKSA-N 1 1 332.360 1.683 20 5 EDBDMO CCOc1cc(C[N@@H+]2CC[C@@]3(C2)NC(=O)N(C)C3=O)ccc1[N+](=O)[O-] ZINC000370517223 446315368 /nfs/dbraw/zinc/31/53/68/446315368.db2.gz HUOLNDQMBFKCTH-INIZCTEOSA-N 1 1 348.359 1.120 20 5 EDBDMO CCOc1cc(C[N@H+]2CC[C@@]3(C2)NC(=O)N(C)C3=O)ccc1[N+](=O)[O-] ZINC000370517223 446315373 /nfs/dbraw/zinc/31/53/73/446315373.db2.gz HUOLNDQMBFKCTH-INIZCTEOSA-N 1 1 348.359 1.120 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000374881228 446433655 /nfs/dbraw/zinc/43/36/55/446433655.db2.gz NLFBDMNGTGMFAY-DZGCQCFKSA-N 1 1 339.417 1.451 20 5 EDBDMO C[C@@H]1CCC[N@H+]1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000370898788 446506250 /nfs/dbraw/zinc/50/62/50/446506250.db2.gz HDWNVICJDUVTRS-CZUORRHYSA-N 1 1 337.424 1.101 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000411435740 446542499 /nfs/dbraw/zinc/54/24/99/446542499.db2.gz CSALHMYYLIUSLC-QWHCGFSZSA-N 1 1 348.403 1.701 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000411435740 446542509 /nfs/dbraw/zinc/54/25/09/446542509.db2.gz CSALHMYYLIUSLC-QWHCGFSZSA-N 1 1 348.403 1.701 20 5 EDBDMO COC[C@@H]1C[C@@H](OC)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411703398 446652313 /nfs/dbraw/zinc/65/23/13/446652313.db2.gz WZUCQLVKCJEEJV-LSDHHAIUSA-N 1 1 337.376 1.659 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412047021 446809717 /nfs/dbraw/zinc/80/97/17/446809717.db2.gz OMDNBQROHZYLSR-LJISPDSOSA-N 1 1 336.388 1.427 20 5 EDBDMO CCc1n[nH]c(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000371372947 446812240 /nfs/dbraw/zinc/81/22/40/446812240.db2.gz JDZNYZBTYOBSDS-ZDUSSCGKSA-N 1 1 329.360 1.797 20 5 EDBDMO CCc1n[nH]c(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000371372947 446812245 /nfs/dbraw/zinc/81/22/45/446812245.db2.gz JDZNYZBTYOBSDS-ZDUSSCGKSA-N 1 1 329.360 1.797 20 5 EDBDMO Cc1cc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000368390885 446833524 /nfs/dbraw/zinc/83/35/24/446833524.db2.gz UGWKQJQDBUNDQE-KGLIPLIRSA-N 1 1 334.376 1.888 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000371545725 446925689 /nfs/dbraw/zinc/92/56/89/446925689.db2.gz JDFOTTPWIUZTII-ZFWWWQNUSA-N 1 1 347.371 1.339 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413114695 447010433 /nfs/dbraw/zinc/01/04/33/447010433.db2.gz MVHBGPFDFZQALQ-SNVBAGLBSA-N 1 1 325.344 1.128 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000421011529 446985197 /nfs/dbraw/zinc/98/51/97/446985197.db2.gz JCZVRFZIYDKSPW-VXGBXAGGSA-N 1 1 337.376 1.777 20 5 EDBDMO Cc1ccc(C(=O)N2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000444392847 447100610 /nfs/dbraw/zinc/10/06/10/447100610.db2.gz PBUWTSLYCXAMIT-CYBMUJFWSA-N 1 1 335.404 1.820 20 5 EDBDMO CN(C(=O)[C@H]1CC1[N+](=O)[O-])C1CC[NH+](CCc2ccncc2)CC1 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Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000611516396 449318278 /nfs/dbraw/zinc/31/82/78/449318278.db2.gz VSWMLSJGIORXRT-ZDUSSCGKSA-N 1 1 341.433 1.932 20 5 EDBDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000602102629 449346604 /nfs/dbraw/zinc/34/66/04/449346604.db2.gz QYVPNBPIPTUNER-STQMWFEESA-N 1 1 333.392 1.344 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](CC(=O)N(C)C)CC2)n1 ZINC000611616541 449360346 /nfs/dbraw/zinc/36/03/46/449360346.db2.gz XRWJMZIHBPHPLA-UHFFFAOYSA-N 1 1 335.408 1.571 20 5 EDBDMO CN1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596100854 449362209 /nfs/dbraw/zinc/36/22/09/449362209.db2.gz CCADLGMREAJADO-UHFFFAOYSA-N 1 1 335.408 1.133 20 5 EDBDMO C[N@@H+]1CCCN(CCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596100854 449362210 /nfs/dbraw/zinc/36/22/10/449362210.db2.gz CCADLGMREAJADO-UHFFFAOYSA-N 1 1 335.408 1.133 20 5 EDBDMO C[N@H+]1CCCN(CCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596100854 449362212 /nfs/dbraw/zinc/36/22/12/449362212.db2.gz CCADLGMREAJADO-UHFFFAOYSA-N 1 1 335.408 1.133 20 5 EDBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594025441 449330705 /nfs/dbraw/zinc/33/07/05/449330705.db2.gz LSGYTLMTAPROQI-QWHCGFSZSA-N 1 1 345.321 1.864 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)n1 ZINC000598510342 449434517 /nfs/dbraw/zinc/43/45/17/449434517.db2.gz PDYYJABJRWBOBM-CQSZACIVSA-N 1 1 343.387 1.816 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)n1 ZINC000598510342 449434525 /nfs/dbraw/zinc/43/45/25/449434525.db2.gz PDYYJABJRWBOBM-CQSZACIVSA-N 1 1 343.387 1.816 20 5 EDBDMO CCN1CC[NH+]([C@H](C)CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702487 449388549 /nfs/dbraw/zinc/38/85/49/449388549.db2.gz UIYZHDBEMXDACL-CYBMUJFWSA-N 1 1 344.419 1.976 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000596309540 449467714 /nfs/dbraw/zinc/46/77/14/449467714.db2.gz UPKJVZGIQSBIOY-LLVKDONJSA-N 1 1 331.376 2.528 20 5 EDBDMO O=[N+]([O-])c1c(NC[C@H]2CC[N@H+](C3CC3)C2)ncnc1N1CCOCC1 ZINC000598587636 449478164 /nfs/dbraw/zinc/47/81/64/449478164.db2.gz UBIVQIWGFWNEJS-GFCCVEGCSA-N 1 1 348.407 1.118 20 5 EDBDMO O=[N+]([O-])c1ccc2ncnc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)c2c1 ZINC000596537882 449545532 /nfs/dbraw/zinc/54/55/32/449545532.db2.gz JFWZADFAIBCVHS-AWEZNQCLSA-N 1 1 343.387 1.573 20 5 EDBDMO O=[N+]([O-])c1ccc2c(c1N1CCC([N@H+]3CC[C@H](O)C3)CC1)CCN2 ZINC000596541580 449546630 /nfs/dbraw/zinc/54/66/30/449546630.db2.gz ZLFZVMXWQGUDMN-ZDUSSCGKSA-N 1 1 332.404 1.598 20 5 EDBDMO O=[N+]([O-])c1ccc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nc1 ZINC000596425517 449496884 /nfs/dbraw/zinc/49/68/84/449496884.db2.gz ZIPJYIWIOAXSRL-MRXNPFEDSA-N 1 1 328.372 2.169 20 5 EDBDMO O=[N+]([O-])c1cnc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000596425500 449497495 /nfs/dbraw/zinc/49/74/95/449497495.db2.gz ZCUVPWGKKQAXJG-ZDUSSCGKSA-N 1 1 334.401 2.230 20 5 EDBDMO Cc1[nH+]cn(CCCCc2noc(Cn3cnc([N+](=O)[O-])n3)n2)c1C ZINC000594534389 449566383 /nfs/dbraw/zinc/56/63/83/449566383.db2.gz MRIFJPMLGGJEMQ-UHFFFAOYSA-N 1 1 346.351 1.454 20 5 EDBDMO CSc1cccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600807370 449555393 /nfs/dbraw/zinc/55/53/93/449555393.db2.gz BHUSEFXDCIJIGH-JTQLQIEISA-N 1 1 325.390 1.113 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2Cc2cn(C)nc2[N+](=O)[O-])C[C@H](C)O1 ZINC000602456195 449603353 /nfs/dbraw/zinc/60/33/53/449603353.db2.gz VIHMPELZSZMSIH-VNHYZAJKSA-N 1 1 337.424 1.402 20 5 EDBDMO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cn(C)nc2[N+](=O)[O-])C[C@H](C)O1 ZINC000602456195 449603361 /nfs/dbraw/zinc/60/33/61/449603361.db2.gz VIHMPELZSZMSIH-VNHYZAJKSA-N 1 1 337.424 1.402 20 5 EDBDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cn(C)nc2[N+](=O)[O-])C[C@H](C)O1 ZINC000602456195 449603364 /nfs/dbraw/zinc/60/33/64/449603364.db2.gz VIHMPELZSZMSIH-VNHYZAJKSA-N 1 1 337.424 1.402 20 5 EDBDMO C[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000594749365 449665431 /nfs/dbraw/zinc/66/54/31/449665431.db2.gz SNVCILCEGVZFLW-NWDGAFQWSA-N 1 1 342.421 1.389 20 5 EDBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000601039604 449669908 /nfs/dbraw/zinc/66/99/08/449669908.db2.gz DVNIMJFMCAJFMW-GXTWGEPZSA-N 1 1 337.351 1.405 20 5 EDBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594758376 449673034 /nfs/dbraw/zinc/67/30/34/449673034.db2.gz QEYQQYLIPYGAIC-GFCCVEGCSA-N 1 1 342.421 1.342 20 5 EDBDMO CC(=O)NC[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601119148 449701520 /nfs/dbraw/zinc/70/15/20/449701520.db2.gz URQHTLSTKRMMDP-ZDUSSCGKSA-N 1 1 330.344 1.484 20 5 EDBDMO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599069183 449717398 /nfs/dbraw/zinc/71/73/98/449717398.db2.gz BPEGHQCIKUYNEM-YRGRVCCFSA-N 1 1 329.360 1.271 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3COCC[C@H]3O)cs2)c1 ZINC000601159144 449724310 /nfs/dbraw/zinc/72/43/10/449724310.db2.gz HVQAYECUKZDIDA-ZIAGYGMSSA-N 1 1 335.385 1.958 20 5 EDBDMO C[NH+](C)CC1CCC(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594775844 449688003 /nfs/dbraw/zinc/68/80/03/449688003.db2.gz LYFWVPSROLPARY-UHFFFAOYSA-N 1 1 342.421 1.389 20 5 EDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1(O)CCOCC1 ZINC000602830937 449841760 /nfs/dbraw/zinc/84/17/60/449841760.db2.gz MLDAVJSZXJPCDQ-HNNXBMFYSA-N 1 1 338.404 1.362 20 5 EDBDMO CC1(C)CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1CCO ZINC000614923710 449878253 /nfs/dbraw/zinc/87/82/53/449878253.db2.gz RNZOYFDSOMBYQQ-UHFFFAOYSA-N 1 1 334.376 1.625 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602925463 449925457 /nfs/dbraw/zinc/92/54/57/449925457.db2.gz WGJCCDNAYOVGQV-HUUCEWRRSA-N 1 1 332.360 1.224 20 5 EDBDMO C[N@H+]1CCCC[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000599415409 449960443 /nfs/dbraw/zinc/96/04/43/449960443.db2.gz OGXSQIAGJGVGNS-ZDUSSCGKSA-N 1 1 341.433 1.746 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000601445518 449968881 /nfs/dbraw/zinc/96/88/81/449968881.db2.gz DXLUKZZWZFWDMT-OAHLLOKOSA-N 1 1 339.417 1.618 20 5 EDBDMO CCOc1cc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000599624068 450110733 /nfs/dbraw/zinc/11/07/33/450110733.db2.gz JXYCGANPTTXMSZ-CALCHBBNSA-N 1 1 338.404 1.806 20 5 EDBDMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000599683892 450150642 /nfs/dbraw/zinc/15/06/42/450150642.db2.gz WZFICPTZWDZCES-WCQYABFASA-N 1 1 347.331 1.005 20 5 EDBDMO COC(=O)C1C[C@H](C)[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599695968 450159836 /nfs/dbraw/zinc/15/98/36/450159836.db2.gz MEAMMWPYDCMHSW-QWRGUYRKSA-N 1 1 349.387 1.856 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000618460381 450209286 /nfs/dbraw/zinc/20/92/86/450209286.db2.gz DALCEOXSUVJRNK-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000618460381 450209293 /nfs/dbraw/zinc/20/92/93/450209293.db2.gz DALCEOXSUVJRNK-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000618460381 450209297 /nfs/dbraw/zinc/20/92/97/450209297.db2.gz DALCEOXSUVJRNK-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC000610447424 450222176 /nfs/dbraw/zinc/22/21/76/450222176.db2.gz GVZKXLROYZNCPF-GASCZTMLSA-N 1 1 327.388 1.860 20 5 EDBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC(C[NH+]2CCOCC2)C1 ZINC000597682005 450193582 /nfs/dbraw/zinc/19/35/82/450193582.db2.gz KHDZSEHCQIHKSB-UHFFFAOYSA-N 1 1 345.355 1.745 20 5 EDBDMO C[N@H+]1CCC[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000615676996 450195679 /nfs/dbraw/zinc/19/56/79/450195679.db2.gz MDIBLVFOLUXESW-LBPRGKRZSA-N 1 1 334.376 1.462 20 5 EDBDMO COC1(CO)CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000618621271 450259702 /nfs/dbraw/zinc/25/97/02/450259702.db2.gz BMFOJFSVAIXBAJ-UHFFFAOYSA-N 1 1 338.360 1.339 20 5 EDBDMO Cc1nc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000603421778 450293632 /nfs/dbraw/zinc/29/36/32/450293632.db2.gz CDNQTHIOXPFZPS-HNNXBMFYSA-N 1 1 349.435 1.507 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc1 ZINC000603423866 450295497 /nfs/dbraw/zinc/29/54/97/450295497.db2.gz PPGUNEHFLGSLAA-CQSZACIVSA-N 1 1 335.408 1.198 20 5 EDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603573904 450325723 /nfs/dbraw/zinc/32/57/23/450325723.db2.gz ZAMXBUHHAMUDCX-MRXNPFEDSA-N 1 1 349.387 1.297 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000619481585 450485780 /nfs/dbraw/zinc/48/57/80/450485780.db2.gz IYVYKLCVHDESGA-CQSZACIVSA-N 1 1 336.440 1.336 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000174020797 527837800 /nfs/dbraw/zinc/83/78/00/527837800.db2.gz CJVQAEKQRRHEAN-CYBMUJFWSA-N 1 1 341.433 1.866 20 5 EDBDMO CC(C)N1C(=O)N[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000345551638 535140879 /nfs/dbraw/zinc/14/08/79/535140879.db2.gz HRUVGKVAUZOZIK-HOTGVXAUSA-N 1 1 348.403 1.850 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)[N@@H+](C)C1 ZINC000346700729 536778654 /nfs/dbraw/zinc/77/86/54/536778654.db2.gz QTFPGXVQBCESMW-KBPBESRZSA-N 1 1 339.367 1.454 20 5 EDBDMO C[N@@H+](CCCNC(=O)C1CCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759998695 580021284 /nfs/dbraw/zinc/02/12/84/580021284.db2.gz IXRARTYBSYBURM-INIZCTEOSA-N 1 1 335.404 1.866 20 5 EDBDMO CCOC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000729919429 578598944 /nfs/dbraw/zinc/59/89/44/578598944.db2.gz KAMAMNXJJPQZJQ-CYBMUJFWSA-N 1 1 327.356 1.253 20 5 EDBDMO O=C(CCOc1ccccc1[N+](=O)[O-])OCCC[NH+]1CCOCC1 ZINC000735894156 578937095 /nfs/dbraw/zinc/93/70/95/578937095.db2.gz ODPOZNQOWTVIPR-UHFFFAOYSA-N 1 1 338.360 1.629 20 5 EDBDMO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000777801259 580450664 /nfs/dbraw/zinc/45/06/64/580450664.db2.gz DOVIWBWVXCZERS-NSHDSACASA-N 1 1 347.331 1.927 20 5 EDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000754366495 579901972 /nfs/dbraw/zinc/90/19/72/579901972.db2.gz FSUPGYWCQGMWJR-HCGPIYGLSA-N 1 1 333.388 1.833 20 5 EDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000754366495 579901973 /nfs/dbraw/zinc/90/19/73/579901973.db2.gz FSUPGYWCQGMWJR-HCGPIYGLSA-N 1 1 333.388 1.833 20 5 EDBDMO NC(=O)c1ccc(C[NH2+][C@H](CCO)c2cccs2)c([N+](=O)[O-])c1 ZINC000754383080 579902361 /nfs/dbraw/zinc/90/23/61/579902361.db2.gz DKGKFGPPTRPTTI-GFCCVEGCSA-N 1 1 335.385 1.969 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000754510581 579904760 /nfs/dbraw/zinc/90/47/60/579904760.db2.gz QGXTYTAXXGKKND-JTQLQIEISA-N 1 1 336.348 1.978 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000754510581 579904761 /nfs/dbraw/zinc/90/47/61/579904761.db2.gz QGXTYTAXXGKKND-JTQLQIEISA-N 1 1 336.348 1.978 20 5 EDBDMO COC(=O)[C@@H]1C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000755928235 579938422 /nfs/dbraw/zinc/93/84/22/579938422.db2.gz CBTZWFIAHKIZNB-BXUZGUMPSA-N 1 1 345.359 1.552 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000755928235 579938423 /nfs/dbraw/zinc/93/84/23/579938423.db2.gz CBTZWFIAHKIZNB-BXUZGUMPSA-N 1 1 345.359 1.552 20 5 EDBDMO COCC1(O)CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000758377272 579980986 /nfs/dbraw/zinc/98/09/86/579980986.db2.gz VQWNGSDWXOMZID-UHFFFAOYSA-N 1 1 347.375 1.284 20 5 EDBDMO O=C1OCC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000764445123 580120134 /nfs/dbraw/zinc/12/01/34/580120134.db2.gz BIVNKQFPJAIOQH-CQSZACIVSA-N 1 1 335.360 1.890 20 5 EDBDMO O=C1OCC[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000764445123 580120135 /nfs/dbraw/zinc/12/01/35/580120135.db2.gz BIVNKQFPJAIOQH-CQSZACIVSA-N 1 1 335.360 1.890 20 5 EDBDMO CN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000778268945 580460353 /nfs/dbraw/zinc/46/03/53/580460353.db2.gz JHYHHMAQJVFDLF-LLVKDONJSA-N 1 1 347.400 1.908 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC(O)(C(C)C)C1 ZINC000773892711 580348733 /nfs/dbraw/zinc/34/87/33/580348733.db2.gz HRQHUFDDDBYDIF-UHFFFAOYSA-N 1 1 337.376 1.635 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(CN3CCOCC3)CC2)cc1 ZINC000776578706 580421932 /nfs/dbraw/zinc/42/19/32/580421932.db2.gz IKOYGBOHRNHLCT-GOSISDBHSA-N 1 1 349.431 1.672 20 5 EDBDMO CCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000776578532 580421951 /nfs/dbraw/zinc/42/19/51/580421951.db2.gz GIFFEGVDGNMUCP-CABCVRRESA-N 1 1 342.417 1.527 20 5 EDBDMO CCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000776578532 580421952 /nfs/dbraw/zinc/42/19/52/580421952.db2.gz GIFFEGVDGNMUCP-CABCVRRESA-N 1 1 342.417 1.527 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781951644 580561166 /nfs/dbraw/zinc/56/11/66/580561166.db2.gz ZQUVLLRXKIRXNC-BZNIZROVSA-N 1 1 344.371 1.441 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C[C@@H]1C ZINC000782019205 580564224 /nfs/dbraw/zinc/56/42/24/580564224.db2.gz MYSKTZLRMXTBCT-BLLLJJGKSA-N 1 1 346.387 1.640 20 5 EDBDMO CC[N@H+]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C[C@@H]1C ZINC000782019205 580564225 /nfs/dbraw/zinc/56/42/25/580564225.db2.gz MYSKTZLRMXTBCT-BLLLJJGKSA-N 1 1 346.387 1.640 20 5 EDBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000793601450 580848794 /nfs/dbraw/zinc/84/87/94/580848794.db2.gz WYQYHJWFDIPUSW-INIZCTEOSA-N 1 1 330.344 1.566 20 5 EDBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000793601450 580848795 /nfs/dbraw/zinc/84/87/95/580848795.db2.gz WYQYHJWFDIPUSW-INIZCTEOSA-N 1 1 330.344 1.566 20 5 EDBDMO O=C(C[N@@H+](CCO)CC1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796178702 580947373 /nfs/dbraw/zinc/94/73/73/580947373.db2.gz DLFHOUKSZLGXPH-UHFFFAOYSA-N 1 1 327.768 1.891 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801880904 581087136 /nfs/dbraw/zinc/08/71/36/581087136.db2.gz YUEAHBTWLSQVAR-JTQLQIEISA-N 1 1 340.355 1.157 20 5 EDBDMO CN1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888983931 590949441 /nfs/dbraw/zinc/94/94/41/590949441.db2.gz VFLLDJAUKSYEMW-UHFFFAOYSA-N 1 1 348.447 1.578 20 5 EDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898485156 591371949 /nfs/dbraw/zinc/37/19/49/591371949.db2.gz BIUBRBAFGCCJCK-CYBMUJFWSA-N 1 1 338.383 1.947 20 5 EDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898485156 591371954 /nfs/dbraw/zinc/37/19/54/591371954.db2.gz BIUBRBAFGCCJCK-CYBMUJFWSA-N 1 1 338.383 1.947 20 5 EDBDMO Cc1ccc(CNC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000896219685 591391935 /nfs/dbraw/zinc/39/19/35/591391935.db2.gz GOLZJPFKKICYQK-PBHICJAKSA-N 1 1 332.404 1.996 20 5 EDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](C3OCCO3)C1)OCCO2 ZINC000896384761 591445808 /nfs/dbraw/zinc/44/58/08/591445808.db2.gz NQYFULVYFLLJAQ-NSHDSACASA-N 1 1 336.344 1.561 20 5 EDBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@@H]1CO ZINC000894886428 591458557 /nfs/dbraw/zinc/45/85/57/591458557.db2.gz VROVYHGSKRLOAL-CQSZACIVSA-N 1 1 346.362 1.909 20 5 EDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@@H]1CO ZINC000894886428 591458560 /nfs/dbraw/zinc/45/85/60/591458560.db2.gz VROVYHGSKRLOAL-CQSZACIVSA-N 1 1 346.362 1.909 20 5 EDBDMO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896557227 591522218 /nfs/dbraw/zinc/52/22/18/591522218.db2.gz SRGCJICJPCKEEQ-CZUORRHYSA-N 1 1 334.420 1.278 20 5 EDBDMO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896557227 591522224 /nfs/dbraw/zinc/52/22/24/591522224.db2.gz SRGCJICJPCKEEQ-CZUORRHYSA-N 1 1 334.420 1.278 20 5 EDBDMO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896557227 591522226 /nfs/dbraw/zinc/52/22/26/591522226.db2.gz SRGCJICJPCKEEQ-CZUORRHYSA-N 1 1 334.420 1.278 20 5 EDBDMO COc1cc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903081747 592116689 /nfs/dbraw/zinc/11/66/89/592116689.db2.gz NQRLWWCPGICDIR-QMMMGPOBSA-N 1 1 335.282 1.933 20 5 EDBDMO COc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)ccc1[N+](=O)[O-] ZINC000903214220 592139933 /nfs/dbraw/zinc/13/99/33/592139933.db2.gz SJXLMFHZHIEAFW-LLVKDONJSA-N 1 1 341.389 1.072 20 5 EDBDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000901351001 592343769 /nfs/dbraw/zinc/34/37/69/592343769.db2.gz NMGLJZWSUCHORL-WFASDCNBSA-N 1 1 341.795 1.362 20 5 EDBDMO Nc1c(-c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)cccc1[N+](=O)[O-] ZINC000904932007 592350675 /nfs/dbraw/zinc/35/06/75/592350675.db2.gz RYOIZVRRDVOELR-JOYOIKCWSA-N 1 1 331.332 1.763 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)[C@@H]2C1 ZINC000908346729 592455003 /nfs/dbraw/zinc/45/50/03/592455003.db2.gz HTYUNCMBMSSOML-DGCLKSJQSA-N 1 1 347.371 1.532 20 5 EDBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000909021730 592715208 /nfs/dbraw/zinc/71/52/08/592715208.db2.gz ZUTJXGVFEWOQBP-UHFFFAOYSA-N 1 1 349.435 1.847 20 5 EDBDMO CC[N@H+](C[C@@H](C)OC)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840077433 593119752 /nfs/dbraw/zinc/11/97/52/593119752.db2.gz MUXKUVQUIZYISQ-WBMJQRKESA-N 1 1 337.376 1.846 20 5 EDBDMO CC[N@@H+](C[C@@H](C)OC)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840077433 593119753 /nfs/dbraw/zinc/11/97/53/593119753.db2.gz MUXKUVQUIZYISQ-WBMJQRKESA-N 1 1 337.376 1.846 20 5 EDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000839392054 593296774 /nfs/dbraw/zinc/29/67/74/593296774.db2.gz AFAROJISIATVNB-LBPRGKRZSA-N 1 1 336.348 1.978 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000839392054 593296776 /nfs/dbraw/zinc/29/67/76/593296776.db2.gz AFAROJISIATVNB-LBPRGKRZSA-N 1 1 336.348 1.978 20 5 EDBDMO CN(C)C(=O)[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000840175446 593337926 /nfs/dbraw/zinc/33/79/26/593337926.db2.gz UIVNDLSVESIQLU-CYBMUJFWSA-N 1 1 344.375 1.221 20 5 EDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000840175446 593337927 /nfs/dbraw/zinc/33/79/27/593337927.db2.gz UIVNDLSVESIQLU-CYBMUJFWSA-N 1 1 344.375 1.221 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000839606632 593348479 /nfs/dbraw/zinc/34/84/79/593348479.db2.gz QXDRMJSJPOYAMX-LTIDMASMSA-N 1 1 345.399 1.678 20 5 EDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809916325 593372334 /nfs/dbraw/zinc/37/23/34/593372334.db2.gz ZHHVCEMNNMISIK-CYBMUJFWSA-N 1 1 328.756 1.436 20 5 EDBDMO COc1cc(C(=O)OCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000757929120 593389130 /nfs/dbraw/zinc/38/91/30/593389130.db2.gz LFADBDWTOLHRGL-UHFFFAOYSA-N 1 1 326.374 1.809 20 5 EDBDMO Cc1nn(CCC(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000812327869 593497058 /nfs/dbraw/zinc/49/70/58/593497058.db2.gz VTYKHKWFVFGVKB-KGLIPLIRSA-N 1 1 335.408 1.208 20 5 EDBDMO C/C(=C\C(=O)NCCC[N@H+](C)CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000813853642 593558408 /nfs/dbraw/zinc/55/84/08/593558408.db2.gz JBGJMWFWKVBXND-CCEZHUSRSA-N 1 1 348.447 1.998 20 5 EDBDMO C/C(=C\C(=O)NCCCN(C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000813853642 593558410 /nfs/dbraw/zinc/55/84/10/593558410.db2.gz JBGJMWFWKVBXND-CCEZHUSRSA-N 1 1 348.447 1.998 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000825453682 594187494 /nfs/dbraw/zinc/18/74/94/594187494.db2.gz WMBVVIXRBMXRLJ-WDEREUQCSA-N 1 1 331.380 1.694 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000825453672 594187533 /nfs/dbraw/zinc/18/75/33/594187533.db2.gz WMBVVIXRBMXRLJ-GHMZBOCLSA-N 1 1 331.380 1.694 20 5 EDBDMO CCOC(=O)Cc1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000825939375 594286407 /nfs/dbraw/zinc/28/64/07/594286407.db2.gz YZHXTIHXKVCFMA-AWEZNQCLSA-N 1 1 349.387 1.221 20 5 EDBDMO CCOC(=O)Cc1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000825939375 594286409 /nfs/dbraw/zinc/28/64/09/594286409.db2.gz YZHXTIHXKVCFMA-AWEZNQCLSA-N 1 1 349.387 1.221 20 5 EDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831416058 594626643 /nfs/dbraw/zinc/62/66/43/594626643.db2.gz KHFOJWYASHXERO-CABCVRRESA-N 1 1 335.404 1.865 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)C[C@@H]21 ZINC000834310236 595090245 /nfs/dbraw/zinc/09/02/45/595090245.db2.gz IOWHVVZHKYIRNM-XFBWCDHKSA-N 1 1 344.371 1.250 20 5 EDBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000844019403 595245082 /nfs/dbraw/zinc/24/50/82/595245082.db2.gz KXQSSKQQQCJXMO-TXEJJXNPSA-N 1 1 339.367 1.915 20 5 EDBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000844019403 595245085 /nfs/dbraw/zinc/24/50/85/595245085.db2.gz KXQSSKQQQCJXMO-TXEJJXNPSA-N 1 1 339.367 1.915 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000846942113 595341042 /nfs/dbraw/zinc/34/10/42/595341042.db2.gz ZEJIREZMEISTFW-IRXDYDNUSA-N 1 1 335.404 1.425 20 5 EDBDMO CNC(=O)CCC[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848482076 595390705 /nfs/dbraw/zinc/39/07/05/595390705.db2.gz HLFVZFMERWPGHH-UHFFFAOYSA-N 1 1 331.376 1.874 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@H]1C ZINC000853507955 595774721 /nfs/dbraw/zinc/77/47/21/595774721.db2.gz GBFILFXMECIIEP-NWDGAFQWSA-N 1 1 345.359 1.694 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@H]1C ZINC000853507955 595774724 /nfs/dbraw/zinc/77/47/24/595774724.db2.gz GBFILFXMECIIEP-NWDGAFQWSA-N 1 1 345.359 1.694 20 5 EDBDMO Cc1nn(CN2CC[NH+]([C@H]3CCOC3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000853553019 595797288 /nfs/dbraw/zinc/79/72/88/595797288.db2.gz LUOVHMVBHDROQO-HNNXBMFYSA-N 1 1 345.403 1.617 20 5 EDBDMO O=[N+]([O-])c1ccc2cnn(CN3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000853552915 595797625 /nfs/dbraw/zinc/79/76/25/595797625.db2.gz KVXNYLTZEGUVRZ-HNNXBMFYSA-N 1 1 331.376 1.309 20 5 EDBDMO COC(=O)NC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000853625463 595837255 /nfs/dbraw/zinc/83/72/55/595837255.db2.gz SKPNXVDKCZLREF-UHFFFAOYSA-N 1 1 333.348 1.722 20 5 EDBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000861343435 595950287 /nfs/dbraw/zinc/95/02/87/595950287.db2.gz HZCMSAHPAULXSE-GDBMZVCRSA-N 1 1 338.360 1.626 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000854352484 596047266 /nfs/dbraw/zinc/04/72/66/596047266.db2.gz DJISIRHBTJMBMP-WKOYGUFESA-N 1 1 344.415 1.504 20 5 EDBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cs1 ZINC000859346774 596058417 /nfs/dbraw/zinc/05/84/17/596058417.db2.gz FZXXAGQOCGOGME-LLVKDONJSA-N 1 1 345.446 1.952 20 5 EDBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cs1 ZINC000859346774 596058422 /nfs/dbraw/zinc/05/84/22/596058422.db2.gz FZXXAGQOCGOGME-LLVKDONJSA-N 1 1 345.446 1.952 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000862104227 596238489 /nfs/dbraw/zinc/23/84/89/596238489.db2.gz KVUJABIZSFOWHN-UHFFFAOYSA-N 1 1 348.403 1.254 20 5 EDBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000121149341 596268326 /nfs/dbraw/zinc/26/83/26/596268326.db2.gz YRBRNHOCHRBGAW-OKILXGFUSA-N 1 1 335.404 1.705 20 5 EDBDMO C[C@]([NH3+])(C(=O)N1CCO[C@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000870892181 596392820 /nfs/dbraw/zinc/39/28/20/596392820.db2.gz PERDCLUHGBELDP-WCQYABFASA-N 1 1 347.293 1.558 20 5 EDBDMO Cc1ccc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000867571785 596436984 /nfs/dbraw/zinc/43/69/84/596436984.db2.gz LWRUEDDWZTWBJH-UHFFFAOYSA-N 1 1 348.403 1.072 20 5 EDBDMO C[N@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000867681307 596493950 /nfs/dbraw/zinc/49/39/50/596493950.db2.gz CHVIJTSHVITIOF-UHFFFAOYSA-N 1 1 341.433 1.841 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867808688 596561277 /nfs/dbraw/zinc/56/12/77/596561277.db2.gz OCCBJTSKTMBVLR-NEPJUHHUSA-N 1 1 325.390 1.310 20 5 EDBDMO O=[N+]([O-])c1cc(CO)c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1F ZINC000865484759 596588204 /nfs/dbraw/zinc/58/82/04/596588204.db2.gz IPUSCPLUPPKLCP-VXGBXAGGSA-N 1 1 325.340 1.501 20 5 EDBDMO COc1ccc(CNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000868081358 596679074 /nfs/dbraw/zinc/67/90/74/596679074.db2.gz UQWSANSQPCOGGJ-KGLIPLIRSA-N 1 1 348.403 1.839 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865811575 596693164 /nfs/dbraw/zinc/69/31/64/596693164.db2.gz DKCSIRWYSRAXSE-UHFFFAOYSA-N 1 1 328.388 1.522 20 5 EDBDMO CN(CCCNc1cc(F)c([N+](=O)[O-])cc1CO)CC[NH+](C)C ZINC000865811575 596693165 /nfs/dbraw/zinc/69/31/65/596693165.db2.gz DKCSIRWYSRAXSE-UHFFFAOYSA-N 1 1 328.388 1.522 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000874253607 596987820 /nfs/dbraw/zinc/98/78/20/596987820.db2.gz SXUKDTALYHHWQW-UONOGXRCSA-N 1 1 333.388 1.805 20 5 EDBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872666677 597021501 /nfs/dbraw/zinc/02/15/01/597021501.db2.gz YJGIYTCAKSPRRW-NEPJUHHUSA-N 1 1 343.380 1.591 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872666677 597021505 /nfs/dbraw/zinc/02/15/05/597021505.db2.gz YJGIYTCAKSPRRW-NEPJUHHUSA-N 1 1 343.380 1.591 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000872666038 597021862 /nfs/dbraw/zinc/02/18/62/597021862.db2.gz RUVRQYPFGGBRBZ-QWHCGFSZSA-N 1 1 339.417 1.760 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000872666038 597021863 /nfs/dbraw/zinc/02/18/63/597021863.db2.gz RUVRQYPFGGBRBZ-QWHCGFSZSA-N 1 1 339.417 1.760 20 5 EDBDMO Cc1c(CNCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000873035501 597166809 /nfs/dbraw/zinc/16/68/09/597166809.db2.gz LJKQIVVCXRPHFY-KRWDZBQOSA-N 1 1 348.447 1.936 20 5 EDBDMO Cc1c(CNCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000873035501 597166812 /nfs/dbraw/zinc/16/68/12/597166812.db2.gz LJKQIVVCXRPHFY-KRWDZBQOSA-N 1 1 348.447 1.936 20 5 EDBDMO O=[N+]([O-])c1ccc2oc(CNC[C@@H]3C[N@H+]4CCC[C@H]4CO3)nc2c1 ZINC000877021415 597414122 /nfs/dbraw/zinc/41/41/22/597414122.db2.gz BAWXCLDFPMPVNT-QWHCGFSZSA-N 1 1 332.360 1.689 20 5 EDBDMO CC(C)(O)C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000879626782 597663883 /nfs/dbraw/zinc/66/38/83/597663883.db2.gz QRCCUJNOBDGVCZ-UHFFFAOYSA-N 1 1 347.415 1.967 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](n3ccnn3)CC2)cc1 ZINC000878941017 597761714 /nfs/dbraw/zinc/76/17/14/597761714.db2.gz JLFMYKGXDQXUGW-HOCLYGCPSA-N 1 1 331.376 1.947 20 5 EDBDMO CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000882490380 597975140 /nfs/dbraw/zinc/97/51/40/597975140.db2.gz OFLDVRVDSNONBS-XHDPSFHLSA-N 1 1 332.360 1.298 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000916663636 696715353 /nfs/dbraw/zinc/71/53/53/696715353.db2.gz JWZZIXDIGGIMMT-OCCSQVGLSA-N 1 1 339.417 1.308 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000917908818 697105425 /nfs/dbraw/zinc/10/54/25/697105425.db2.gz HKVHYMVMIASXAU-NEPJUHHUSA-N 1 1 325.390 1.500 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)C1=COCCO1 ZINC001031528352 697212349 /nfs/dbraw/zinc/21/23/49/697212349.db2.gz VWKYKTCKYXIEBO-UHFFFAOYSA-N 1 1 333.344 1.031 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1cc[nH]c(=O)c1 ZINC001031608118 697312851 /nfs/dbraw/zinc/31/28/51/697312851.db2.gz QIPRYGKGVWMVIX-UHFFFAOYSA-N 1 1 342.355 1.557 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccsn1 ZINC001031759888 699017512 /nfs/dbraw/zinc/01/75/12/699017512.db2.gz MDGLQSHTUBWAMI-UHFFFAOYSA-N 1 1 332.385 1.913 20 5 EDBDMO Cc1cnn(C)c1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001031908685 700890601 /nfs/dbraw/zinc/89/06/01/700890601.db2.gz HZTSZKLHPDSUEV-UHFFFAOYSA-N 1 1 343.387 1.499 20 5 EDBDMO CC(C)n1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996439853 702769261 /nfs/dbraw/zinc/76/92/61/702769261.db2.gz GISPAXOOTKBTEP-HUUCEWRRSA-N 1 1 335.408 1.210 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000996429684 702783632 /nfs/dbraw/zinc/78/36/32/702783632.db2.gz SOGZRFXAKUBBFN-NVXWUHKLSA-N 1 1 342.399 1.914 20 5 EDBDMO Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)o1 ZINC001034643998 710319995 /nfs/dbraw/zinc/31/99/95/710319995.db2.gz AVNGNCMDXZDFQY-RGCMKSIDSA-N 1 1 336.392 1.474 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ncn[nH]1 ZINC001034756855 711009084 /nfs/dbraw/zinc/00/90/84/711009084.db2.gz DUSIXFLPSKJWOR-JOCQHMNTSA-N 1 1 344.375 1.544 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1nc[nH]n1 ZINC001034756855 711009086 /nfs/dbraw/zinc/00/90/86/711009086.db2.gz DUSIXFLPSKJWOR-JOCQHMNTSA-N 1 1 344.375 1.544 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]Cc1ccc(CNC(=O)C2CC2)cc1 ZINC001034804465 711151075 /nfs/dbraw/zinc/15/10/75/711151075.db2.gz CQCIKWABDWSVSD-UHFFFAOYSA-N 1 1 343.387 1.644 20 5 EDBDMO CN(CC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000361813967 282339900 /nfs/dbraw/zinc/33/99/00/282339900.db2.gz LHJQIVQFQJZYSP-CQSZACIVSA-N 1 1 332.404 1.726 20 5 EDBDMO CC[N@@H+](CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000103955812 219331992 /nfs/dbraw/zinc/33/19/92/219331992.db2.gz FTIVRADUJWPEHI-UHFFFAOYSA-N 1 1 344.375 1.390 20 5 EDBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@H]1c1ccccc1 ZINC000246000277 283055331 /nfs/dbraw/zinc/05/53/31/283055331.db2.gz YCQKUUWEULTMGZ-HUUCEWRRSA-N 1 1 342.355 1.871 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](CC)C2)cc([N+](=O)[O-])c1 ZINC000412854757 304042467 /nfs/dbraw/zinc/04/24/67/304042467.db2.gz VJIVDRLAORLSSZ-ZDUSSCGKSA-N 1 1 335.360 1.596 20 5 EDBDMO C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000184404319 235389141 /nfs/dbraw/zinc/38/91/41/235389141.db2.gz QBXVAUZEPZFSFK-LLVKDONJSA-N 1 1 327.406 1.497 20 5 EDBDMO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000067387028 138186724 /nfs/dbraw/zinc/18/67/24/138186724.db2.gz UAFBJDDSUQGPNE-CQSZACIVSA-N 1 1 342.417 1.873 20 5 EDBDMO CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000067387028 138186726 /nfs/dbraw/zinc/18/67/26/138186726.db2.gz UAFBJDDSUQGPNE-CQSZACIVSA-N 1 1 342.417 1.873 20 5 EDBDMO CCN1CC[NH+](CCCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000068277472 138193951 /nfs/dbraw/zinc/19/39/51/138193951.db2.gz LZRFRUUADXAJCC-UHFFFAOYSA-N 1 1 349.435 1.151 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000189712327 237172166 /nfs/dbraw/zinc/17/21/66/237172166.db2.gz LFLHYVDLJUTEEH-LBPRGKRZSA-N 1 1 348.403 1.308 20 5 EDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000130705538 223171291 /nfs/dbraw/zinc/17/12/91/223171291.db2.gz GBDXSFBQVKUXCT-UHFFFAOYSA-N 1 1 335.339 1.983 20 5 EDBDMO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000565785777 306391855 /nfs/dbraw/zinc/39/18/55/306391855.db2.gz TWHJYTDWOQYMHB-GFCCVEGCSA-N 1 1 325.365 1.123 20 5 EDBDMO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000370554586 284170393 /nfs/dbraw/zinc/17/03/93/284170393.db2.gz CRTBDGOHOHQSEI-JKSUJKDBSA-N 1 1 333.388 1.968 20 5 EDBDMO CN(CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000246574853 139113476 /nfs/dbraw/zinc/11/34/76/139113476.db2.gz HXTCQUJBWPJVOP-GJZGRUSLSA-N 1 1 346.431 1.974 20 5 EDBDMO CN(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246847160 139124014 /nfs/dbraw/zinc/12/40/14/139124014.db2.gz KQCFQMISLQHMMH-WMLDXEAASA-N 1 1 346.431 1.974 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000246911755 139126689 /nfs/dbraw/zinc/12/66/89/139126689.db2.gz QFPNZHSFBGXZIB-DZGCQCFKSA-N 1 1 335.404 1.820 20 5 EDBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248489735 139166046 /nfs/dbraw/zinc/16/60/46/139166046.db2.gz NCOIETUKSPPLLL-WBVVSNMSSA-N 1 1 330.406 1.033 20 5 EDBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249740548 139197896 /nfs/dbraw/zinc/19/78/96/139197896.db2.gz IMOQSPYTRCWAAB-HOCLYGCPSA-N 1 1 349.387 1.078 20 5 EDBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000153844143 224165775 /nfs/dbraw/zinc/16/57/75/224165775.db2.gz XKACKVVSQFGJFK-NSHDSACASA-N 1 1 326.784 1.802 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000488810263 255055625 /nfs/dbraw/zinc/05/56/25/255055625.db2.gz VOEDVWAETQQUMG-NWDGAFQWSA-N 1 1 337.376 1.635 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000495135363 255269812 /nfs/dbraw/zinc/26/98/12/255269812.db2.gz GDDWMNRSAFXHDW-CYBMUJFWSA-N 1 1 336.396 1.232 20 5 EDBDMO Cc1nn(CCC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000263989281 139374157 /nfs/dbraw/zinc/37/41/57/139374157.db2.gz NESZUVJRCCYOPQ-GFCCVEGCSA-N 1 1 337.424 1.646 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000154521551 224265299 /nfs/dbraw/zinc/26/52/99/224265299.db2.gz BAPLLXHYPFMJMA-HUUCEWRRSA-N 1 1 349.435 1.741 20 5 EDBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000154583064 224275587 /nfs/dbraw/zinc/27/55/87/224275587.db2.gz RFMJWJCKJNXIPH-UHFFFAOYSA-N 1 1 331.336 1.251 20 5 EDBDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000178005724 533397997 /nfs/dbraw/zinc/39/79/97/533397997.db2.gz UYYDDCHEIDKSMI-LLVKDONJSA-N 1 1 339.373 1.817 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000331888970 141094379 /nfs/dbraw/zinc/09/43/79/141094379.db2.gz GEZUVDILIACYIH-HOTGVXAUSA-N 1 1 348.403 1.247 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000331999759 141108774 /nfs/dbraw/zinc/10/87/74/141108774.db2.gz VJNUOTFZSBBGKJ-SQWLQELKSA-N 1 1 349.387 1.840 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000339718178 142132415 /nfs/dbraw/zinc/13/24/15/142132415.db2.gz VUEOFIPDTBVGGE-SNVBAGLBSA-N 1 1 330.410 1.384 20 5 EDBDMO O=C1[C@H]([NH+]2CCC(OCCO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339787410 142156505 /nfs/dbraw/zinc/15/65/05/142156505.db2.gz OIBJCQHNDRCDPT-MRXNPFEDSA-N 1 1 349.387 1.173 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345924689 143147804 /nfs/dbraw/zinc/14/78/04/143147804.db2.gz ROFGVCNPIUNHSX-RYUDHWBXSA-N 1 1 349.387 1.936 20 5 EDBDMO C[C@@H](O)C[N@@H+](C)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000346393156 143200059 /nfs/dbraw/zinc/20/00/59/143200059.db2.gz CSYWYKCQDWKMEC-SNVBAGLBSA-N 1 1 328.800 1.925 20 5 EDBDMO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1C ZINC000347028799 143273695 /nfs/dbraw/zinc/27/36/95/143273695.db2.gz WIKHXMGXTWWBDU-AAEUAGOBSA-N 1 1 335.360 1.725 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1C ZINC000347028799 143273696 /nfs/dbraw/zinc/27/36/96/143273696.db2.gz WIKHXMGXTWWBDU-AAEUAGOBSA-N 1 1 335.360 1.725 20 5 EDBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Cn2nccc2[N+](=O)[O-])CC1 ZINC000347967538 143384830 /nfs/dbraw/zinc/38/48/30/143384830.db2.gz NQCHYKPNLDXETP-CQSZACIVSA-N 1 1 343.387 1.697 20 5 EDBDMO O=C(C[N@@H+]1CC[C@H]2OCC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000369674848 155133251 /nfs/dbraw/zinc/13/32/51/155133251.db2.gz AJQDZZDJMPTGAW-XJKSGUPXSA-N 1 1 331.372 1.595 20 5 EDBDMO O=C(C[N@H+]1CC[C@H]2OCC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000369674848 155133253 /nfs/dbraw/zinc/13/32/53/155133253.db2.gz AJQDZZDJMPTGAW-XJKSGUPXSA-N 1 1 331.372 1.595 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2COc2ccccc2)c1 ZINC000369826568 155193799 /nfs/dbraw/zinc/19/37/99/155193799.db2.gz XTXFXRZJPBTPIS-GDBMZVCRSA-N 1 1 346.387 1.696 20 5 EDBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000352585221 149073946 /nfs/dbraw/zinc/07/39/46/149073946.db2.gz BMEYYYCYDLNZKB-LLVKDONJSA-N 1 1 347.441 1.210 20 5 EDBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000358051108 151247074 /nfs/dbraw/zinc/24/70/74/151247074.db2.gz QVIFOHGWRCCTOQ-HNNXBMFYSA-N 1 1 335.385 1.606 20 5 EDBDMO C[C@H]1C[C@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC[N@H+]1C ZINC000361095083 152300685 /nfs/dbraw/zinc/30/06/85/152300685.db2.gz IIVVUOWRZBNIDH-VHSXEESVSA-N 1 1 328.394 1.137 20 5 EDBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361254092 152346204 /nfs/dbraw/zinc/34/62/04/152346204.db2.gz YWSMIOJDERQPLM-CYBMUJFWSA-N 1 1 338.360 1.757 20 5 EDBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363020877 152880456 /nfs/dbraw/zinc/88/04/56/152880456.db2.gz WYFNWZAPZIGYTI-UONOGXRCSA-N 1 1 346.387 1.068 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000363875495 153082208 /nfs/dbraw/zinc/08/22/08/153082208.db2.gz ZTDNLUSGJLPPFV-VHDGCEQUSA-N 1 1 348.403 1.609 20 5 EDBDMO C[C@]1([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000364354723 153215134 /nfs/dbraw/zinc/21/51/34/153215134.db2.gz AHMADEBGYJZZQN-BLLLJJGKSA-N 1 1 332.360 1.405 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000339045277 292291868 /nfs/dbraw/zinc/29/18/68/292291868.db2.gz SESRXXOHVFQPDF-GFCCVEGCSA-N 1 1 339.417 1.727 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000339045277 292291870 /nfs/dbraw/zinc/29/18/70/292291870.db2.gz SESRXXOHVFQPDF-GFCCVEGCSA-N 1 1 339.417 1.727 20 5 EDBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000367076542 154001192 /nfs/dbraw/zinc/00/11/92/154001192.db2.gz PFIMFVAVQJUKKR-QWHCGFSZSA-N 1 1 337.351 1.717 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000367076542 154001194 /nfs/dbraw/zinc/00/11/94/154001194.db2.gz PFIMFVAVQJUKKR-QWHCGFSZSA-N 1 1 337.351 1.717 20 5 EDBDMO Cc1cc(C)n([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000367139779 154019933 /nfs/dbraw/zinc/01/99/33/154019933.db2.gz LIFGTPDDYMYLBW-HNNXBMFYSA-N 1 1 345.403 1.907 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000367402807 154106430 /nfs/dbraw/zinc/10/64/30/154106430.db2.gz LSKUJOPPZRUUNK-SWLSCSKDSA-N 1 1 329.360 1.504 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@]12CCOC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000367446283 154125003 /nfs/dbraw/zinc/12/50/03/154125003.db2.gz CUXUHZXLGDBCPO-QGZVFWFLSA-N 1 1 331.372 1.739 20 5 EDBDMO O=C(C[N@H+]1CCC[C@]12CCOC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000367446283 154125004 /nfs/dbraw/zinc/12/50/04/154125004.db2.gz CUXUHZXLGDBCPO-QGZVFWFLSA-N 1 1 331.372 1.739 20 5 EDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[N@H+](C2CCOCC2)CC1 ZINC000371580182 156014909 /nfs/dbraw/zinc/01/49/09/156014909.db2.gz BXYLEVUANOWQSF-UHFFFAOYSA-N 1 1 349.391 1.130 20 5 EDBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])s1 ZINC000372342494 156344563 /nfs/dbraw/zinc/34/45/63/156344563.db2.gz UGZVKSNBPYTGAI-WDEREUQCSA-N 1 1 325.390 1.639 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])s1 ZINC000372342494 156344565 /nfs/dbraw/zinc/34/45/65/156344565.db2.gz UGZVKSNBPYTGAI-WDEREUQCSA-N 1 1 325.390 1.639 20 5 EDBDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000374610077 157344681 /nfs/dbraw/zinc/34/46/81/157344681.db2.gz GHOWZLVHEJMSAS-NVXWUHKLSA-N 1 1 330.388 1.950 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000366571777 162396519 /nfs/dbraw/zinc/39/65/19/162396519.db2.gz LCWLMFMSVIVEFV-KBRIMQKVSA-N 1 1 336.388 1.898 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000366571777 162396523 /nfs/dbraw/zinc/39/65/23/162396523.db2.gz LCWLMFMSVIVEFV-KBRIMQKVSA-N 1 1 336.388 1.898 20 5 EDBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000126359563 287420493 /nfs/dbraw/zinc/42/04/93/287420493.db2.gz YSLCLQNZDZYUGN-UHFFFAOYSA-N 1 1 332.320 1.070 20 5 EDBDMO CCN1CC[NH+](CCCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000122471676 222095152 /nfs/dbraw/zinc/09/51/52/222095152.db2.gz AUQCUFBMFLQBQX-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273350918 268033441 /nfs/dbraw/zinc/03/34/41/268033441.db2.gz CKGRKKIDLWTRAA-NSHDSACASA-N 1 1 340.355 1.654 20 5 EDBDMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CC[N@H+]1CCOC ZINC000274697629 268186801 /nfs/dbraw/zinc/18/68/01/268186801.db2.gz SPUNCFCYTLFLEA-LLVKDONJSA-N 1 1 326.372 1.863 20 5 EDBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000275538747 268357343 /nfs/dbraw/zinc/35/73/43/268357343.db2.gz ZJVNXSLSMRRGFI-ZDUSSCGKSA-N 1 1 329.360 1.853 20 5 EDBDMO CCOCCOCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000276210211 273152940 /nfs/dbraw/zinc/15/29/40/273152940.db2.gz HOXDGLKDOXQMDQ-UHFFFAOYSA-N 1 1 325.365 1.179 20 5 EDBDMO NS(=O)(=O)c1cccc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000273438866 273039699 /nfs/dbraw/zinc/03/96/99/273039699.db2.gz CJWDNFBGOQSOJH-JQWIXIFHSA-N 1 1 340.405 1.281 20 5 EDBDMO CCOCCOCC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000276210211 273152938 /nfs/dbraw/zinc/15/29/38/273152938.db2.gz HOXDGLKDOXQMDQ-UHFFFAOYSA-N 1 1 325.365 1.179 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000277680272 273215880 /nfs/dbraw/zinc/21/58/80/273215880.db2.gz YNECCUDKBWRYIT-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000277680272 273215881 /nfs/dbraw/zinc/21/58/81/273215881.db2.gz YNECCUDKBWRYIT-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO C[C@H]1C[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[N@H+]1C ZINC000279236128 273286935 /nfs/dbraw/zinc/28/69/35/273286935.db2.gz QXELXGWAOBGOHP-GJZGRUSLSA-N 1 1 346.431 1.974 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000280082224 273343657 /nfs/dbraw/zinc/34/36/57/273343657.db2.gz NWFKEUVKXQJJKB-MRXNPFEDSA-N 1 1 337.376 1.779 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000280082224 273343658 /nfs/dbraw/zinc/34/36/58/273343658.db2.gz NWFKEUVKXQJJKB-MRXNPFEDSA-N 1 1 337.376 1.779 20 5 EDBDMO C[C@@H]1OCC[C@@]12C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCO2 ZINC000280324034 273357043 /nfs/dbraw/zinc/35/70/43/273357043.db2.gz GXGIKAUCEDUFPX-SUMWQHHRSA-N 1 1 349.387 1.803 20 5 EDBDMO COCC[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000282102570 273587555 /nfs/dbraw/zinc/58/75/55/273587555.db2.gz CHWFBRBSEBCNIB-UHFFFAOYSA-N 1 1 346.391 1.159 20 5 EDBDMO COc1cc(N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000284493207 274222058 /nfs/dbraw/zinc/22/20/58/274222058.db2.gz HMQUFPGYZIAKJJ-QWRGUYRKSA-N 1 1 327.356 1.898 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284703971 274300765 /nfs/dbraw/zinc/30/07/65/274300765.db2.gz SVCIDBLYSFPQBX-HUUCEWRRSA-N 1 1 336.348 1.408 20 5 EDBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000365550872 275040676 /nfs/dbraw/zinc/04/06/76/275040676.db2.gz SRTQGFDKWPBWDC-VIFPVBQESA-N 1 1 332.282 1.529 20 5 EDBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000365550872 275040677 /nfs/dbraw/zinc/04/06/77/275040677.db2.gz SRTQGFDKWPBWDC-VIFPVBQESA-N 1 1 332.282 1.529 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000330447054 276176113 /nfs/dbraw/zinc/17/61/13/276176113.db2.gz RPBRKBOUTUKIFI-CYBMUJFWSA-N 1 1 341.433 1.913 20 5 EDBDMO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000370600178 277110825 /nfs/dbraw/zinc/11/08/25/277110825.db2.gz UNQANKDDILPBGC-OAHLLOKOSA-N 1 1 347.419 1.232 20 5 EDBDMO CNC(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286495365 288019660 /nfs/dbraw/zinc/01/96/60/288019660.db2.gz PHLRJJPUJYVGQN-CYBMUJFWSA-N 1 1 348.403 1.914 20 5 EDBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286495365 288019664 /nfs/dbraw/zinc/01/96/64/288019664.db2.gz PHLRJJPUJYVGQN-CYBMUJFWSA-N 1 1 348.403 1.914 20 5 EDBDMO COC(=O)c1cnc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000286526506 288027106 /nfs/dbraw/zinc/02/71/06/288027106.db2.gz YEJZPNKZTBOPFF-FUNVUKJBSA-N 1 1 334.376 1.838 20 5 EDBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286561391 288034855 /nfs/dbraw/zinc/03/48/55/288034855.db2.gz TVXJGAZRNHBBAE-CQSZACIVSA-N 1 1 348.403 1.574 20 5 EDBDMO Cc1cc(N2CC[NH2+][C@H](C(N)=O)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359829436 278712210 /nfs/dbraw/zinc/71/22/10/278712210.db2.gz GOUAOIABEHAZLT-VIFPVBQESA-N 1 1 332.282 1.186 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286763641 288081242 /nfs/dbraw/zinc/08/12/42/288081242.db2.gz ZKTNYYHZAFNMHW-CMPLNLGQSA-N 1 1 349.309 1.249 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)C1 ZINC000286789987 288088131 /nfs/dbraw/zinc/08/81/31/288088131.db2.gz JQXOKSDTOQKOGZ-WDEREUQCSA-N 1 1 347.375 1.135 20 5 EDBDMO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359638839 279315352 /nfs/dbraw/zinc/31/53/52/279315352.db2.gz RBOABXXAUGVNMF-CYBMUJFWSA-N 1 1 349.387 1.284 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCS(=O)(=O)[C@H]1C ZINC000293848234 303028566 /nfs/dbraw/zinc/02/85/66/303028566.db2.gz HOJMMQRTWPQJQP-GWCFXTLKSA-N 1 1 328.390 1.659 20 5 EDBDMO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295114538 303174986 /nfs/dbraw/zinc/17/49/86/303174986.db2.gz VNTALMUWILCYKU-JTQLQIEISA-N 1 1 335.813 1.666 20 5 EDBDMO COc1cc(CN[C@@H]2CCC[N@H+](CCCO)C2)c([N+](=O)[O-])cc1O ZINC000295174921 303183966 /nfs/dbraw/zinc/18/39/66/303183966.db2.gz UVEFZNQWBWVBSN-CYBMUJFWSA-N 1 1 339.392 1.245 20 5 EDBDMO COc1cc(CN[C@@H]2CCC[N@@H+](CCCO)C2)c([N+](=O)[O-])cc1O ZINC000295174921 303183967 /nfs/dbraw/zinc/18/39/67/303183967.db2.gz UVEFZNQWBWVBSN-CYBMUJFWSA-N 1 1 339.392 1.245 20 5 EDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000295341698 303207198 /nfs/dbraw/zinc/20/71/98/303207198.db2.gz DRSSCKBUAMCEOU-LBPRGKRZSA-N 1 1 346.387 1.653 20 5 EDBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)C(N)=O ZINC000295727713 303258405 /nfs/dbraw/zinc/25/84/05/303258405.db2.gz OOGPNUTZDFSQIL-UHFFFAOYSA-N 1 1 332.360 1.988 20 5 EDBDMO Cn1cc[nH+]c1CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301992185 303706779 /nfs/dbraw/zinc/70/67/79/303706779.db2.gz QIVJPNWPUFRUSB-UHFFFAOYSA-N 1 1 330.391 1.448 20 5 EDBDMO Cc1cn2c([nH+]1)CC[C@H](Nc1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2 ZINC000302645807 303728197 /nfs/dbraw/zinc/72/81/97/303728197.db2.gz JBLQJKGIIKARSS-JTQLQIEISA-N 1 1 343.343 1.858 20 5 EDBDMO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000430265504 305049446 /nfs/dbraw/zinc/04/94/46/305049446.db2.gz VJSFLKJGCKMQRA-INIZCTEOSA-N 1 1 334.376 1.300 20 5 EDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000430265504 305049447 /nfs/dbraw/zinc/04/94/47/305049447.db2.gz VJSFLKJGCKMQRA-INIZCTEOSA-N 1 1 334.376 1.300 20 5 EDBDMO C[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000443789121 305241464 /nfs/dbraw/zinc/24/14/64/305241464.db2.gz XWORSKOSBPTGPK-AAEUAGOBSA-N 1 1 327.406 1.497 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451632336 305357661 /nfs/dbraw/zinc/35/76/61/305357661.db2.gz OLJFLZDUBRTXMG-SWLSCSKDSA-N 1 1 348.403 1.568 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451632336 305357662 /nfs/dbraw/zinc/35/76/62/305357662.db2.gz OLJFLZDUBRTXMG-SWLSCSKDSA-N 1 1 348.403 1.568 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451632336 305357663 /nfs/dbraw/zinc/35/76/63/305357663.db2.gz OLJFLZDUBRTXMG-SWLSCSKDSA-N 1 1 348.403 1.568 20 5 EDBDMO CC[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000549158945 306145014 /nfs/dbraw/zinc/14/50/14/306145014.db2.gz HOFMZYQQYOFMJK-AWEZNQCLSA-N 1 1 343.387 1.885 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]2[C@@H]1c1ccccc1 ZINC000377830234 447375584 /nfs/dbraw/zinc/37/55/84/447375584.db2.gz BXWVTHKICORCHB-NFAWXSAZSA-N 1 1 340.387 1.706 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)nn21 ZINC000378364625 447421834 /nfs/dbraw/zinc/42/18/34/447421834.db2.gz RAFKWBOXAUWZCB-STQMWFEESA-N 1 1 346.391 1.693 20 5 EDBDMO C[C@H](NC(=O)N1CC[N@H+](CCO)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000458626665 447430095 /nfs/dbraw/zinc/43/00/95/447430095.db2.gz VBOVDNXEIXBBKM-OLZOCXBDSA-N 1 1 336.392 1.364 20 5 EDBDMO C[C@H](NC(=O)N1CC[N@@H+](CCO)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000458626665 447430100 /nfs/dbraw/zinc/43/01/00/447430100.db2.gz VBOVDNXEIXBBKM-OLZOCXBDSA-N 1 1 336.392 1.364 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000045427952 440984311 /nfs/dbraw/zinc/98/43/11/440984311.db2.gz VVQKHVCAJVAZCY-UHFFFAOYSA-N 1 1 349.387 1.938 20 5 EDBDMO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046035068 441071594 /nfs/dbraw/zinc/07/15/94/441071594.db2.gz GDWMBNKFAZICPW-LBPRGKRZSA-N 1 1 341.433 1.913 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000007423806 441051433 /nfs/dbraw/zinc/05/14/33/441051433.db2.gz OCWCKRCEFWKJAF-UHFFFAOYSA-N 1 1 347.824 1.931 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000047148054 441160800 /nfs/dbraw/zinc/16/08/00/441160800.db2.gz MRWBTLDDIDSFDG-ZDUSSCGKSA-N 1 1 348.403 1.173 20 5 EDBDMO Cc1csc(=O)n1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000018034272 441246910 /nfs/dbraw/zinc/24/69/10/441246910.db2.gz SAUSDOXWCYGLMY-UHFFFAOYSA-N 1 1 348.428 1.949 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000072697088 441252058 /nfs/dbraw/zinc/25/20/58/441252058.db2.gz JWFZAHVBIRDCKF-GFCCVEGCSA-N 1 1 346.387 1.524 20 5 EDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000072631772 441243133 /nfs/dbraw/zinc/24/31/33/441243133.db2.gz SXENBDASTGDNEW-NEPJUHHUSA-N 1 1 327.406 1.656 20 5 EDBDMO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000106444025 441343681 /nfs/dbraw/zinc/34/36/81/441343681.db2.gz LTAQSFUZWPEVHL-LBPRGKRZSA-N 1 1 342.783 1.676 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC000073988794 441379542 /nfs/dbraw/zinc/37/95/42/441379542.db2.gz ZIBNEBLGMUBXQB-UONOGXRCSA-N 1 1 335.408 1.493 20 5 EDBDMO CC[NH+]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000064670605 441389146 /nfs/dbraw/zinc/38/91/46/441389146.db2.gz AQNPQEDQVGEAIA-UHFFFAOYSA-N 1 1 343.387 1.773 20 5 EDBDMO CN(C(=O)C[NH+]1CCC(c2nnc[nH]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000083425087 441361816 /nfs/dbraw/zinc/36/18/16/441361816.db2.gz TYLFVCAIVRCKTC-UHFFFAOYSA-N 1 1 344.375 1.555 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000065202453 441407109 /nfs/dbraw/zinc/40/71/09/441407109.db2.gz ZCBSRBIUSDVQLB-LLVKDONJSA-N 1 1 342.421 1.384 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC1)OCCO2 ZINC000028077654 441425942 /nfs/dbraw/zinc/42/59/42/441425942.db2.gz YYEIFIQHCJMUGC-LBPRGKRZSA-N 1 1 335.360 1.761 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000107887524 441432725 /nfs/dbraw/zinc/43/27/25/441432725.db2.gz MOBYQMAFGYGNKF-LBPRGKRZSA-N 1 1 344.375 1.247 20 5 EDBDMO O=C(NC1CC1)c1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000028707380 441436075 /nfs/dbraw/zinc/43/60/75/441436075.db2.gz RXHJOUJICAKKNX-UHFFFAOYSA-N 1 1 348.403 1.621 20 5 EDBDMO CCCS(=O)(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000030133485 441484201 /nfs/dbraw/zinc/48/42/01/441484201.db2.gz PCUBMHCUFXPWLO-UHFFFAOYSA-N 1 1 341.433 1.889 20 5 EDBDMO C[NH+]1CCN(C(=O)CC2CCN(c3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000066860383 441576882 /nfs/dbraw/zinc/57/68/82/441576882.db2.gz JCZHODHYGABPNS-UHFFFAOYSA-N 1 1 347.419 1.370 20 5 EDBDMO C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@@H+](C)C1CC1 ZINC000067276891 441623657 /nfs/dbraw/zinc/62/36/57/441623657.db2.gz CWWOGWCRIFSHLM-NSHDSACASA-N 1 1 344.375 1.388 20 5 EDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000114372095 441650077 /nfs/dbraw/zinc/65/00/77/441650077.db2.gz QOBJUGAFAHZKNU-LLVKDONJSA-N 1 1 325.340 1.575 20 5 EDBDMO O=[N+]([O-])c1ccc(NCCCCN2CC[NH+](CCO)CC2)c(F)c1 ZINC000114450879 441657318 /nfs/dbraw/zinc/65/73/18/441657318.db2.gz IXZZUCCRPBOBKA-UHFFFAOYSA-N 1 1 340.399 1.536 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000041890041 441681660 /nfs/dbraw/zinc/68/16/60/441681660.db2.gz PYYRHKXAFZABRN-GFCCVEGCSA-N 1 1 346.387 1.442 20 5 EDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000067703149 441669585 /nfs/dbraw/zinc/66/95/85/441669585.db2.gz CRZVHMCEUZNZCR-LBPRGKRZSA-N 1 1 342.359 1.142 20 5 EDBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000067725020 441673270 /nfs/dbraw/zinc/67/32/70/441673270.db2.gz WPNNLRFEDSECFX-INIZCTEOSA-N 1 1 348.403 1.601 20 5 EDBDMO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000136944993 441733654 /nfs/dbraw/zinc/73/36/54/441733654.db2.gz ZCQLAKISTVSTQG-HIFRSBDPSA-N 1 1 337.376 1.839 20 5 EDBDMO CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000136944993 441733659 /nfs/dbraw/zinc/73/36/59/441733659.db2.gz ZCQLAKISTVSTQG-HIFRSBDPSA-N 1 1 337.376 1.839 20 5 EDBDMO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000173470569 441762444 /nfs/dbraw/zinc/76/24/44/441762444.db2.gz HAJCXFZKWBVQCV-KGLIPLIRSA-N 1 1 347.419 1.735 20 5 EDBDMO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000173470569 441762448 /nfs/dbraw/zinc/76/24/48/441762448.db2.gz HAJCXFZKWBVQCV-KGLIPLIRSA-N 1 1 347.419 1.735 20 5 EDBDMO C[C@H]1CO[C@H](CO)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000138697973 441796593 /nfs/dbraw/zinc/79/65/93/441796593.db2.gz PIXQPDWIMMSMSN-WFASDCNBSA-N 1 1 347.371 1.874 20 5 EDBDMO C[C@H]1CO[C@H](CO)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000138697973 441796601 /nfs/dbraw/zinc/79/66/01/441796601.db2.gz PIXQPDWIMMSMSN-WFASDCNBSA-N 1 1 347.371 1.874 20 5 EDBDMO COCC[N@@H+](C)CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000121883130 441804128 /nfs/dbraw/zinc/80/41/28/441804128.db2.gz MKCHSXXEKHMZLY-UHFFFAOYSA-N 1 1 345.421 1.379 20 5 EDBDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000159916586 441845940 /nfs/dbraw/zinc/84/59/40/441845940.db2.gz RPZGDQNDQFZSHN-GOEBONIOSA-N 1 1 331.376 1.693 20 5 EDBDMO CCc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000174288963 441910275 /nfs/dbraw/zinc/91/02/75/441910275.db2.gz YQOZPCOUCSVYEX-AWEZNQCLSA-N 1 1 347.415 1.952 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000146623744 441899147 /nfs/dbraw/zinc/89/91/47/441899147.db2.gz WUYILEWOUOCZCF-CQSZACIVSA-N 1 1 339.417 1.762 20 5 EDBDMO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000150714989 441935188 /nfs/dbraw/zinc/93/51/88/441935188.db2.gz YFYKWOCAJZMKJM-ZDUSSCGKSA-N 1 1 336.392 1.091 20 5 EDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069711148 442020458 /nfs/dbraw/zinc/02/04/58/442020458.db2.gz SHEGKDUEGFCGEG-AWEZNQCLSA-N 1 1 333.388 1.779 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175220705 442020691 /nfs/dbraw/zinc/02/06/91/442020691.db2.gz VGUKCDIKBJBHIF-GFCCVEGCSA-N 1 1 334.376 1.429 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175220705 442020697 /nfs/dbraw/zinc/02/06/97/442020697.db2.gz VGUKCDIKBJBHIF-GFCCVEGCSA-N 1 1 334.376 1.429 20 5 EDBDMO Cc1ccnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000151606470 442091373 /nfs/dbraw/zinc/09/13/73/442091373.db2.gz CCGZPYDAMJAWGU-ZDUSSCGKSA-N 1 1 333.392 1.041 20 5 EDBDMO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000162139709 442068291 /nfs/dbraw/zinc/06/82/91/442068291.db2.gz COISOJPCWUBJNF-JTQLQIEISA-N 1 1 333.435 1.727 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000162139709 442068296 /nfs/dbraw/zinc/06/82/96/442068296.db2.gz COISOJPCWUBJNF-JTQLQIEISA-N 1 1 333.435 1.727 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000162200506 442072838 /nfs/dbraw/zinc/07/28/38/442072838.db2.gz XENHJOXQJHNLQB-ZDUSSCGKSA-N 1 1 341.433 1.974 20 5 EDBDMO O=C1CC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]2N1C1CC1 ZINC000163004827 442138124 /nfs/dbraw/zinc/13/81/24/442138124.db2.gz RPYWYXMUXWIIEY-OCCSQVGLSA-N 1 1 333.392 1.267 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C[N@H+]1Cc1ccccc1 ZINC000126312030 442098242 /nfs/dbraw/zinc/09/82/42/442098242.db2.gz JZTDARFGRYYKPC-OCCSQVGLSA-N 1 1 343.387 1.721 20 5 EDBDMO C[C@@]([NH2+]CCn1ccc([N+](=O)[O-])n1)(C(N)=O)c1cccc(Cl)c1 ZINC000177390794 442335567 /nfs/dbraw/zinc/33/55/67/442335567.db2.gz ZOYAVKKUJMFXHH-AWEZNQCLSA-N 1 1 337.767 1.435 20 5 EDBDMO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000171881220 442387262 /nfs/dbraw/zinc/38/72/62/442387262.db2.gz YXWMZCZSCKKDDM-ZDUSSCGKSA-N 1 1 331.376 1.428 20 5 EDBDMO C[N@@H+](CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000133819380 442435932 /nfs/dbraw/zinc/43/59/32/442435932.db2.gz DOGSJKYTUHUMGY-UHFFFAOYSA-N 1 1 346.391 1.223 20 5 EDBDMO CCOC(=O)CC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000178557833 442443800 /nfs/dbraw/zinc/44/38/00/442443800.db2.gz CHCXGMFKMKFLIJ-UHFFFAOYSA-N 1 1 335.360 1.369 20 5 EDBDMO CCOC(=O)CC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000178557833 442443803 /nfs/dbraw/zinc/44/38/03/442443803.db2.gz CHCXGMFKMKFLIJ-UHFFFAOYSA-N 1 1 335.360 1.369 20 5 EDBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000180121951 442544847 /nfs/dbraw/zinc/54/48/47/442544847.db2.gz BBOLNKKONPNCFV-UKRRQHHQSA-N 1 1 343.387 1.812 20 5 EDBDMO O=C(CC[N@H+](CCO)Cc1cccnc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000157049575 442545296 /nfs/dbraw/zinc/54/52/96/442545296.db2.gz KTJIPHPJPWEIMM-UHFFFAOYSA-N 1 1 344.371 1.813 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173002763 442582154 /nfs/dbraw/zinc/58/21/54/442582154.db2.gz JETASMJLFLOQSO-UHFFFAOYSA-N 1 1 349.309 1.922 20 5 EDBDMO CC(C)C(=O)NCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157591065 442595547 /nfs/dbraw/zinc/59/55/47/442595547.db2.gz GRDZPHOWGXPCAX-UHFFFAOYSA-N 1 1 336.392 1.627 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186777818 442609297 /nfs/dbraw/zinc/60/92/97/442609297.db2.gz OLDOBADIXOJKQK-UHFFFAOYSA-N 1 1 344.371 1.603 20 5 EDBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000173264825 442635103 /nfs/dbraw/zinc/63/51/03/442635103.db2.gz KBYDANDSYKOJRK-AAEUAGOBSA-N 1 1 327.406 1.698 20 5 EDBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000173266083 442636020 /nfs/dbraw/zinc/63/60/20/442636020.db2.gz ILRNKTQKLDESSL-UWVGGRQHSA-N 1 1 333.435 1.760 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000192506406 442655019 /nfs/dbraw/zinc/65/50/19/442655019.db2.gz PPMFIEJACZYLAQ-LBPRGKRZSA-N 1 1 337.424 1.809 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180532546 442617680 /nfs/dbraw/zinc/61/76/80/442617680.db2.gz LDCZPWSRNNAWSH-LBPRGKRZSA-N 1 1 335.408 1.814 20 5 EDBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000180544238 442619721 /nfs/dbraw/zinc/61/97/21/442619721.db2.gz KYTYEMXQBKAFLR-UHFFFAOYSA-N 1 1 343.387 1.954 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000193275090 442728520 /nfs/dbraw/zinc/72/85/20/442728520.db2.gz QOASAFWLEJELDJ-VXGBXAGGSA-N 1 1 327.406 1.583 20 5 EDBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)N1 ZINC000193464012 442745304 /nfs/dbraw/zinc/74/53/04/442745304.db2.gz VJEJJSZDIUBVMF-GIZXNFQBSA-N 1 1 330.344 1.282 20 5 EDBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)C(C)(C)C ZINC000182222271 442746912 /nfs/dbraw/zinc/74/69/12/442746912.db2.gz ZRBNLUHCTUPAKD-CQSZACIVSA-N 1 1 344.433 1.707 20 5 EDBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)C(C)(C)C ZINC000182222271 442746915 /nfs/dbraw/zinc/74/69/15/442746915.db2.gz ZRBNLUHCTUPAKD-CQSZACIVSA-N 1 1 344.433 1.707 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193809067 442790405 /nfs/dbraw/zinc/79/04/05/442790405.db2.gz XZQSTUTWCQZNDI-OAHLLOKOSA-N 1 1 343.387 1.430 20 5 EDBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000193660879 442765490 /nfs/dbraw/zinc/76/54/90/442765490.db2.gz KEPDGZCWOTZNMO-OQPBUACISA-N 1 1 340.767 1.301 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000265643750 442859875 /nfs/dbraw/zinc/85/98/75/442859875.db2.gz KSMYZLJOFDCTCH-CQSZACIVSA-N 1 1 334.376 1.394 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000268158795 442876542 /nfs/dbraw/zinc/87/65/42/442876542.db2.gz IVGRSCCPUNINFG-IINYFYTJSA-N 1 1 346.387 1.441 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000183218891 442906390 /nfs/dbraw/zinc/90/63/90/442906390.db2.gz IJILCVFSQHTLIS-VXGBXAGGSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000268223976 442906712 /nfs/dbraw/zinc/90/67/12/442906712.db2.gz QWCQDQCFIFHNMX-MFKMUULPSA-N 1 1 347.371 1.579 20 5 EDBDMO C[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C)CC1 ZINC000268293505 442935306 /nfs/dbraw/zinc/93/53/06/442935306.db2.gz ZFQQMJIGRFQRFQ-LLVKDONJSA-N 1 1 340.811 1.500 20 5 EDBDMO COC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000189396506 442939818 /nfs/dbraw/zinc/93/98/18/442939818.db2.gz UPHQYXKKOAJHIO-QWHCGFSZSA-N 1 1 337.376 1.659 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249545579 442984799 /nfs/dbraw/zinc/98/47/99/442984799.db2.gz GEEMDFWAASDDMD-BXUZGUMPSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000266053532 443000916 /nfs/dbraw/zinc/00/09/16/443000916.db2.gz ZISWWLIJWYGBIA-CQSZACIVSA-N 1 1 335.404 1.758 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266053532 443000920 /nfs/dbraw/zinc/00/09/20/443000920.db2.gz ZISWWLIJWYGBIA-CQSZACIVSA-N 1 1 335.404 1.758 20 5 EDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184727840 443068018 /nfs/dbraw/zinc/06/80/18/443068018.db2.gz KFTBTQRNMRHENO-OASPWFOLSA-N 1 1 334.332 1.133 20 5 EDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184727840 443068021 /nfs/dbraw/zinc/06/80/21/443068021.db2.gz KFTBTQRNMRHENO-OASPWFOLSA-N 1 1 334.332 1.133 20 5 EDBDMO Cc1c(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000268674208 443073274 /nfs/dbraw/zinc/07/32/74/443073274.db2.gz NWBHAHRWGMQFJB-UHFFFAOYSA-N 1 1 348.403 1.139 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000185235884 443166713 /nfs/dbraw/zinc/16/67/13/443166713.db2.gz COQMQLGWRMIKCF-UHFFFAOYSA-N 1 1 327.406 1.451 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000191091239 443239521 /nfs/dbraw/zinc/23/95/21/443239521.db2.gz AZRJKEJMURBGSU-UHFFFAOYSA-N 1 1 341.389 1.072 20 5 EDBDMO C[C@@H]1CC[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000190884249 443204046 /nfs/dbraw/zinc/20/40/46/443204046.db2.gz VORUTODDJVCFFD-CZUORRHYSA-N 1 1 333.388 1.920 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190924323 443209668 /nfs/dbraw/zinc/20/96/68/443209668.db2.gz IVMDXGWARKJIQU-NEPJUHHUSA-N 1 1 337.376 1.492 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000358503252 319112637 /nfs/dbraw/zinc/11/26/37/319112637.db2.gz YHURKLNMCPYVBW-CYBMUJFWSA-N 1 1 332.404 1.997 20 5 EDBDMO CC[N@H+]1CCCC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000272441270 443318315 /nfs/dbraw/zinc/31/83/15/443318315.db2.gz DUSDNKOWUSASTC-NSHDSACASA-N 1 1 342.421 1.529 20 5 EDBDMO CN1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccc21 ZINC000269856993 443454667 /nfs/dbraw/zinc/45/46/67/443454667.db2.gz IEBYXXYESVLNFJ-UHFFFAOYSA-N 1 1 328.372 1.709 20 5 EDBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000267655831 443529514 /nfs/dbraw/zinc/52/95/14/443529514.db2.gz CMPXCTRRDINONZ-HIFRSBDPSA-N 1 1 349.435 1.509 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000279271514 443547433 /nfs/dbraw/zinc/54/74/33/443547433.db2.gz JEIIISKAZVKHAN-IFIJOSMWSA-N 1 1 336.388 1.834 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000279271514 443547437 /nfs/dbraw/zinc/54/74/37/443547437.db2.gz JEIIISKAZVKHAN-IFIJOSMWSA-N 1 1 336.388 1.834 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000272339046 443596414 /nfs/dbraw/zinc/59/64/14/443596414.db2.gz OFOVJKSETLHMMO-GOEBONIOSA-N 1 1 337.420 1.589 20 5 EDBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000286183141 443663479 /nfs/dbraw/zinc/66/34/79/443663479.db2.gz AQNJATOYKZKBPW-QWRGUYRKSA-N 1 1 333.348 1.430 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000439346045 320044895 /nfs/dbraw/zinc/04/48/95/320044895.db2.gz HOKKCWHBTDJFQX-NSHDSACASA-N 1 1 334.376 1.394 20 5 EDBDMO CC(C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448980055 320169335 /nfs/dbraw/zinc/16/93/35/320169335.db2.gz NHRPBLFLWYQMPG-UHFFFAOYSA-N 1 1 331.376 1.851 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452115834 320242789 /nfs/dbraw/zinc/24/27/89/320242789.db2.gz MGVNSXOBBMBKLY-LSDHHAIUSA-N 1 1 337.420 1.749 20 5 EDBDMO CC(C)N1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452115834 320242792 /nfs/dbraw/zinc/24/27/92/320242792.db2.gz MGVNSXOBBMBKLY-LSDHHAIUSA-N 1 1 337.420 1.749 20 5 EDBDMO CC(C)N1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452115834 320242794 /nfs/dbraw/zinc/24/27/94/320242794.db2.gz MGVNSXOBBMBKLY-LSDHHAIUSA-N 1 1 337.420 1.749 20 5 EDBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000456188026 320307105 /nfs/dbraw/zinc/30/71/05/320307105.db2.gz MPKWSAYQKHMRCN-CYBMUJFWSA-N 1 1 349.435 1.990 20 5 EDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493591879 320395348 /nfs/dbraw/zinc/39/53/48/320395348.db2.gz 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O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+](CCc2cccs2)CC1 ZINC000285209984 443896646 /nfs/dbraw/zinc/89/66/46/443896646.db2.gz VVKFLYNFAZGYNU-UHFFFAOYSA-N 1 1 335.389 1.380 20 5 EDBDMO C[N@@H+](CCCOCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281273301 443866171 /nfs/dbraw/zinc/86/61/71/443866171.db2.gz FXVFHDXDELZEFO-KRWDZBQOSA-N 1 1 348.403 1.691 20 5 EDBDMO O=C1NCCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1Cc1ccccc1 ZINC000292899198 443873010 /nfs/dbraw/zinc/87/30/10/443873010.db2.gz GLNJVNFACOUXSC-MRXNPFEDSA-N 1 1 343.387 1.225 20 5 EDBDMO O=C1NCCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1Cc1ccccc1 ZINC000292899198 443873012 /nfs/dbraw/zinc/87/30/12/443873012.db2.gz GLNJVNFACOUXSC-MRXNPFEDSA-N 1 1 343.387 1.225 20 5 EDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000293077387 443918749 /nfs/dbraw/zinc/91/87/49/443918749.db2.gz VXBONPWVTYEGGN-INIZCTEOSA-N 1 1 331.376 1.558 20 5 EDBDMO C[N@H+]1CCN(CCNc2ccc([N+](=O)[O-])c(N)c2F)CC1(C)C ZINC000281637383 443966089 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RQGGXXUYMDKFMH-CHWSQXEVSA-N 1 1 345.403 1.819 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517173 445628302 /nfs/dbraw/zinc/62/83/02/445628302.db2.gz PKYUKBRYXGCJMW-ZDUSSCGKSA-N 1 1 332.404 1.997 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358517173 445628308 /nfs/dbraw/zinc/62/83/08/445628308.db2.gz PKYUKBRYXGCJMW-ZDUSSCGKSA-N 1 1 332.404 1.997 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000349674200 445643806 /nfs/dbraw/zinc/64/38/06/445643806.db2.gz YEULZSLFXVCQFP-HNNXBMFYSA-N 1 1 348.403 1.982 20 5 EDBDMO NC(=O)c1ccc(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000363150546 445699052 /nfs/dbraw/zinc/69/90/52/445699052.db2.gz RUZXMXDTIABJCS-CHWSQXEVSA-N 1 1 334.376 1.359 20 5 EDBDMO NC(=O)c1ccc(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000363150546 445699057 /nfs/dbraw/zinc/69/90/57/445699057.db2.gz RUZXMXDTIABJCS-CHWSQXEVSA-N 1 1 334.376 1.359 20 5 EDBDMO Cc1c(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000363217926 445726583 /nfs/dbraw/zinc/72/65/83/445726583.db2.gz CXDKGEXUMRVYLI-HNNXBMFYSA-N 1 1 346.431 1.755 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363259296 445744299 /nfs/dbraw/zinc/74/42/99/445744299.db2.gz MYXUEAQLSPBBLE-IHRRRGAJSA-N 1 1 333.392 1.042 20 5 EDBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356463230 445804744 /nfs/dbraw/zinc/80/47/44/445804744.db2.gz UVVRGNXWNVSEAB-TXEJJXNPSA-N 1 1 337.424 1.815 20 5 EDBDMO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351228200 446014965 /nfs/dbraw/zinc/01/49/65/446014965.db2.gz OUAWHWAWDQUGSB-UHFFFAOYSA-N 1 1 340.355 1.519 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000361930769 446079784 /nfs/dbraw/zinc/07/97/84/446079784.db2.gz XEBFNLHOPLMVQU-RDJZCZTQSA-N 1 1 348.447 1.432 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931070 446079998 /nfs/dbraw/zinc/07/99/98/446079998.db2.gz XUZHVSHMSMMSTB-CRAIPNDOSA-N 1 1 348.447 1.432 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931073 446080458 /nfs/dbraw/zinc/08/04/58/446080458.db2.gz XUZHVSHMSMMSTB-YJBOKZPZSA-N 1 1 348.447 1.432 20 5 EDBDMO C[N@@H+](CCO)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000351484309 446083662 /nfs/dbraw/zinc/08/36/62/446083662.db2.gz CXRGYCGBLKKXNP-UHFFFAOYSA-N 1 1 325.340 1.263 20 5 EDBDMO CC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000351497690 446103335 /nfs/dbraw/zinc/10/33/35/446103335.db2.gz GGAZBBNIKKOULK-UHFFFAOYSA-N 1 1 344.371 1.686 20 5 EDBDMO COc1ccc(NC(=O)CCN2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000359296489 446131279 /nfs/dbraw/zinc/13/12/79/446131279.db2.gz CYQRUXKPPYOSHF-TXEJJXNPSA-N 1 1 334.376 1.083 20 5 EDBDMO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373565499 446262920 /nfs/dbraw/zinc/26/29/20/446262920.db2.gz BTWYPLXKSLNTHQ-UONOGXRCSA-N 1 1 337.424 1.979 20 5 EDBDMO CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373565499 446262924 /nfs/dbraw/zinc/26/29/24/446262924.db2.gz BTWYPLXKSLNTHQ-UONOGXRCSA-N 1 1 337.424 1.979 20 5 EDBDMO CC1(c2ccccc2F)C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000370519759 446316335 /nfs/dbraw/zinc/31/63/35/446316335.db2.gz ZLVSCNJKSTWSSB-CYBMUJFWSA-N 1 1 334.351 1.565 20 5 EDBDMO CC(C)c1ccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1[N+](=O)[O-] ZINC000366767616 446341522 /nfs/dbraw/zinc/34/15/22/446341522.db2.gz GYRIEYQKTOECRU-HOCLYGCPSA-N 1 1 333.388 1.808 20 5 EDBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1[N+](=O)[O-] ZINC000366767616 446341524 /nfs/dbraw/zinc/34/15/24/446341524.db2.gz GYRIEYQKTOECRU-HOCLYGCPSA-N 1 1 333.388 1.808 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000374078395 446351284 /nfs/dbraw/zinc/35/12/84/446351284.db2.gz JVRRSZSRSXKRNJ-PBHICJAKSA-N 1 1 346.431 1.942 20 5 EDBDMO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000374866143 446424413 /nfs/dbraw/zinc/42/44/13/446424413.db2.gz UOUAZMUXMVABKS-VVLHAWIVSA-N 1 1 345.399 1.754 20 5 EDBDMO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000374866143 446424417 /nfs/dbraw/zinc/42/44/17/446424417.db2.gz UOUAZMUXMVABKS-VVLHAWIVSA-N 1 1 345.399 1.754 20 5 EDBDMO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000374866143 446424422 /nfs/dbraw/zinc/42/44/22/446424422.db2.gz UOUAZMUXMVABKS-VVLHAWIVSA-N 1 1 345.399 1.754 20 5 EDBDMO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000376407461 446479312 /nfs/dbraw/zinc/47/93/12/446479312.db2.gz MLQAGKDICPBRKX-RYRKJORJSA-N 1 1 329.400 1.776 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000376407461 446479318 /nfs/dbraw/zinc/47/93/18/446479318.db2.gz MLQAGKDICPBRKX-RYRKJORJSA-N 1 1 329.400 1.776 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000376407461 446479320 /nfs/dbraw/zinc/47/93/20/446479320.db2.gz MLQAGKDICPBRKX-RYRKJORJSA-N 1 1 329.400 1.776 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000376470064 446514732 /nfs/dbraw/zinc/51/47/32/446514732.db2.gz YKQOZUZKGHIVBP-QGZVFWFLSA-N 1 1 349.387 1.779 20 5 EDBDMO COC(=O)[C@@]1(C)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411568483 446606999 /nfs/dbraw/zinc/60/69/99/446606999.db2.gz KYVIDKNCJAESHG-MRXNPFEDSA-N 1 1 335.360 1.951 20 5 EDBDMO COC(=O)[C@@]1(C)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411568483 446607008 /nfs/dbraw/zinc/60/70/08/446607008.db2.gz KYVIDKNCJAESHG-MRXNPFEDSA-N 1 1 335.360 1.951 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000371235286 446707415 /nfs/dbraw/zinc/70/74/15/446707415.db2.gz JQNHNLWNBQFZJJ-NWDGAFQWSA-N 1 1 335.408 1.875 20 5 EDBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3c[nH]c4nccnc34)C2)c1 ZINC000368227400 446722801 /nfs/dbraw/zinc/72/28/01/446722801.db2.gz QTJPBOPWCVLRSC-GFCCVEGCSA-N 1 1 327.348 1.851 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411940862 446751816 /nfs/dbraw/zinc/75/18/16/446751816.db2.gz KVDCONYBYQDQES-NWDGAFQWSA-N 1 1 334.376 1.332 20 5 EDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423957244 446798237 /nfs/dbraw/zinc/79/82/37/446798237.db2.gz BAYFUFSJENNQCK-MRXNPFEDSA-N 1 1 326.356 1.705 20 5 EDBDMO CC1(CN2CCOCC2)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000371373597 446815174 /nfs/dbraw/zinc/81/51/74/446815174.db2.gz NLJGPHSDQYXPLT-UHFFFAOYSA-N 1 1 337.424 1.226 20 5 EDBDMO NC(=O)[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000375507739 446857999 /nfs/dbraw/zinc/85/79/99/446857999.db2.gz YDGFUOYAUDVKSS-VXGBXAGGSA-N 1 1 347.293 1.569 20 5 EDBDMO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C[N@H+]1CCO ZINC000419002005 446859392 /nfs/dbraw/zinc/85/93/92/446859392.db2.gz LWIJABYPMDOFEA-NEPJUHHUSA-N 1 1 347.375 1.536 20 5 EDBDMO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000377039007 446878415 /nfs/dbraw/zinc/87/84/15/446878415.db2.gz CWUXJLXDVQTRKF-QQFIATSDSA-N 1 1 335.326 1.573 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1F ZINC000412234225 446908175 /nfs/dbraw/zinc/90/81/75/446908175.db2.gz YOJUZCDLOQNADX-WDEREUQCSA-N 1 1 339.367 1.836 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000425309552 447106602 /nfs/dbraw/zinc/10/66/02/447106602.db2.gz WNAKZDYAGKEUJZ-UHFFFAOYSA-N 1 1 332.364 1.629 20 5 EDBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000368792175 447108639 /nfs/dbraw/zinc/10/86/39/447108639.db2.gz NXARSKDKBKARSQ-INIZCTEOSA-N 1 1 327.344 1.387 20 5 EDBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000421391805 447148066 /nfs/dbraw/zinc/14/80/66/447148066.db2.gz UNCJKOPSVDASFT-ZDUSSCGKSA-N 1 1 343.387 1.563 20 5 EDBDMO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000368863038 447166636 /nfs/dbraw/zinc/16/66/36/447166636.db2.gz NKYPQAVXHCDGKZ-AWEZNQCLSA-N 1 1 345.359 1.810 20 5 EDBDMO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000368863038 447166642 /nfs/dbraw/zinc/16/66/42/447166642.db2.gz NKYPQAVXHCDGKZ-AWEZNQCLSA-N 1 1 345.359 1.810 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000372720680 447245737 /nfs/dbraw/zinc/24/57/37/447245737.db2.gz YQXIDMBIQWXMDR-UHFFFAOYSA-N 1 1 341.375 1.751 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000426976702 447523535 /nfs/dbraw/zinc/52/35/35/447523535.db2.gz YLDCZYXZJNUXNR-CHWSQXEVSA-N 1 1 338.412 1.306 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000450793485 447578755 /nfs/dbraw/zinc/57/87/55/447578755.db2.gz PPGOOOCGBYPDAX-BETUJISGSA-N 1 1 335.360 1.657 20 5 EDBDMO Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000451927713 447786459 /nfs/dbraw/zinc/78/64/59/447786459.db2.gz KWUVUGNHXKDPIA-YHWZYXNKSA-N 1 1 339.417 1.807 20 5 EDBDMO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451940932 447793305 /nfs/dbraw/zinc/79/33/05/447793305.db2.gz WOXHIMXCGMCPHX-NJZAAPMLSA-N 1 1 337.376 1.624 20 5 EDBDMO COC(=O)[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000452004716 447800293 /nfs/dbraw/zinc/80/02/93/447800293.db2.gz KXKNCAZKTNSLIG-GJZGRUSLSA-N 1 1 344.371 1.680 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H](C)C1 ZINC000552982869 447966454 /nfs/dbraw/zinc/96/64/54/447966454.db2.gz HZFNKPHOPQXGNM-NSHDSACASA-N 1 1 335.360 1.532 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H](C)C1 ZINC000552982869 447966459 /nfs/dbraw/zinc/96/64/59/447966459.db2.gz HZFNKPHOPQXGNM-NSHDSACASA-N 1 1 335.360 1.532 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@H+]1C ZINC000525104921 447969149 /nfs/dbraw/zinc/96/91/49/447969149.db2.gz HPKHPWVKGSUFSP-GHMZBOCLSA-N 1 1 335.360 1.579 20 5 EDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000571620431 448179883 /nfs/dbraw/zinc/17/98/83/448179883.db2.gz FBNWDTMZBSVZJE-ZDUSSCGKSA-N 1 1 348.403 1.703 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000571620431 448179891 /nfs/dbraw/zinc/17/98/91/448179891.db2.gz FBNWDTMZBSVZJE-ZDUSSCGKSA-N 1 1 348.403 1.703 20 5 EDBDMO COc1ccc(CC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000532080067 448197145 /nfs/dbraw/zinc/19/71/45/448197145.db2.gz INCKKQKTSRUXNZ-BXUZGUMPSA-N 1 1 333.388 1.745 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000591028970 448238957 /nfs/dbraw/zinc/23/89/57/448238957.db2.gz MMHVWMFLPKQEHV-DOMZBBRYSA-N 1 1 346.387 1.313 20 5 EDBDMO Cc1nn(Cc2ccc(-c3nc(C[NH3+])no3)cc2)c(C)c1[N+](=O)[O-] ZINC000577632432 448347431 /nfs/dbraw/zinc/34/74/31/448347431.db2.gz LLNCGECTOHAEQW-UHFFFAOYSA-N 1 1 328.332 1.965 20 5 EDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493065230 448358824 /nfs/dbraw/zinc/35/88/24/448358824.db2.gz PNYZUPBFBMQLMC-PYEVWLCESA-N 1 1 337.351 1.272 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493065230 448358831 /nfs/dbraw/zinc/35/88/31/448358831.db2.gz PNYZUPBFBMQLMC-PYEVWLCESA-N 1 1 337.351 1.272 20 5 EDBDMO COC(C)(C)C[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533342122 448390965 /nfs/dbraw/zinc/39/09/65/448390965.db2.gz NRUUQJGEBDFCMM-UHFFFAOYSA-N 1 1 339.348 1.619 20 5 EDBDMO COC(C)(C)C[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533342122 448390968 /nfs/dbraw/zinc/39/09/68/448390968.db2.gz NRUUQJGEBDFCMM-UHFFFAOYSA-N 1 1 339.348 1.619 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000591726510 448473527 /nfs/dbraw/zinc/47/35/27/448473527.db2.gz CMABQPURHIHPHX-OFQRWUPVSA-N 1 1 335.404 1.551 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000591726510 448473532 /nfs/dbraw/zinc/47/35/32/448473532.db2.gz CMABQPURHIHPHX-OFQRWUPVSA-N 1 1 335.404 1.551 20 5 EDBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)COC[C@H]1CCCO1)C2 ZINC000535251948 448491804 /nfs/dbraw/zinc/49/18/04/448491804.db2.gz KSRPNZPNWAINJN-LSDHHAIUSA-N 1 1 336.388 1.509 20 5 EDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)COC[C@H]1CCCO1)C2 ZINC000535251948 448491812 /nfs/dbraw/zinc/49/18/12/448491812.db2.gz KSRPNZPNWAINJN-LSDHHAIUSA-N 1 1 336.388 1.509 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000584406716 448514399 /nfs/dbraw/zinc/51/43/99/448514399.db2.gz BJKPXXPTBXENNU-CQSZACIVSA-N 1 1 332.404 1.510 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000573111238 448546640 /nfs/dbraw/zinc/54/66/40/448546640.db2.gz OQFZBWLETQIAKG-QLFBSQMISA-N 1 1 335.404 1.551 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000573111238 448546648 /nfs/dbraw/zinc/54/66/48/448546648.db2.gz OQFZBWLETQIAKG-QLFBSQMISA-N 1 1 335.404 1.551 20 5 EDBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1=CC[N@@H+](C)CC1 ZINC000540968588 448660704 /nfs/dbraw/zinc/66/07/04/448660704.db2.gz STEPHDLMHWEREZ-NSHDSACASA-N 1 1 347.371 1.746 20 5 EDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000573873646 448733825 /nfs/dbraw/zinc/73/38/25/448733825.db2.gz QHGZZNZXSHJCJI-SCDSUCTJSA-N 1 1 348.359 1.381 20 5 EDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000573873646 448733826 /nfs/dbraw/zinc/73/38/26/448733826.db2.gz QHGZZNZXSHJCJI-SCDSUCTJSA-N 1 1 348.359 1.381 20 5 EDBDMO CCOc1cc(C[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000592206082 448744640 /nfs/dbraw/zinc/74/46/40/448744640.db2.gz LWMOQLCXFSETRT-OLZOCXBDSA-N 1 1 338.360 1.349 20 5 EDBDMO CCOc1cc(C[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000592206082 448744643 /nfs/dbraw/zinc/74/46/43/448744643.db2.gz LWMOQLCXFSETRT-OLZOCXBDSA-N 1 1 338.360 1.349 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+](C)C[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000589196948 448986194 /nfs/dbraw/zinc/98/61/94/448986194.db2.gz PNSXCDYIIFCGQT-CQSZACIVSA-N 1 1 338.360 1.349 20 5 EDBDMO Cc1sc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000548370276 449033184 /nfs/dbraw/zinc/03/31/84/449033184.db2.gz BRHMPFLNOPLGPE-VIFPVBQESA-N 1 1 333.435 1.727 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000575344317 449082623 /nfs/dbraw/zinc/08/26/23/449082623.db2.gz YKXNTZIEXAPXTJ-CYBMUJFWSA-N 1 1 348.403 1.608 20 5 EDBDMO Cc1cc(N2CCC(NC(=O)c3c[nH]nc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000548420435 449038980 /nfs/dbraw/zinc/03/89/80/449038980.db2.gz JVWVXDLWKZAZPP-UHFFFAOYSA-N 1 1 345.363 1.124 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000589930118 449084350 /nfs/dbraw/zinc/08/43/50/449084350.db2.gz STDWPWGCBLZGNA-BXUZGUMPSA-N 1 1 325.390 1.061 20 5 EDBDMO COc1cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000590005640 449094097 /nfs/dbraw/zinc/09/40/97/449094097.db2.gz DCBLYLYPNPDBET-URLYPYJESA-N 1 1 344.314 1.875 20 5 EDBDMO COc1cc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000590005640 449094101 /nfs/dbraw/zinc/09/41/01/449094101.db2.gz DCBLYLYPNPDBET-URLYPYJESA-N 1 1 344.314 1.875 20 5 EDBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000595664576 449107222 /nfs/dbraw/zinc/10/72/22/449107222.db2.gz QIISCWMXFRAAPY-GXFFZTMASA-N 1 1 328.296 1.163 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cccc1[N+](=O)[O-] ZINC000593104223 449136735 /nfs/dbraw/zinc/13/67/35/449136735.db2.gz XUEFLEWICSZGQN-RSPIHXBNSA-N 1 1 337.401 1.437 20 5 EDBDMO COc1ccc2c(c1)CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595760138 449152833 /nfs/dbraw/zinc/15/28/33/449152833.db2.gz RJOFMDSQSAOLJM-HNNXBMFYSA-N 1 1 332.360 1.219 20 5 EDBDMO Cc1c(NC(=O)C(=O)NC[C@H]2CCCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000600036639 449155852 /nfs/dbraw/zinc/15/58/52/449155852.db2.gz UKNHNIFRRATKNX-CYBMUJFWSA-N 1 1 348.403 1.690 20 5 EDBDMO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727105 449162666 /nfs/dbraw/zinc/16/26/66/449162666.db2.gz DHXQPZILQVVQTP-ZDUSSCGKSA-N 1 1 336.392 1.120 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C ZINC000611088494 449164982 /nfs/dbraw/zinc/16/49/82/449164982.db2.gz ZLAQAXLQBKKVNV-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C ZINC000611088494 449164985 /nfs/dbraw/zinc/16/49/85/449164985.db2.gz ZLAQAXLQBKKVNV-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000595791514 449168373 /nfs/dbraw/zinc/16/83/73/449168373.db2.gz VBANVTJVXROPBO-BMFZPTHFSA-N 1 1 338.408 1.433 20 5 EDBDMO O=C(CC[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595735613 449137977 /nfs/dbraw/zinc/13/79/77/449137977.db2.gz BLIOWPHBVPYCKW-WFASDCNBSA-N 1 1 346.387 1.524 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593853106 449239451 /nfs/dbraw/zinc/23/94/51/449239451.db2.gz BVEQZOURSQPSMK-CYBMUJFWSA-N 1 1 339.779 1.068 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593853106 449239453 /nfs/dbraw/zinc/23/94/53/449239453.db2.gz BVEQZOURSQPSMK-CYBMUJFWSA-N 1 1 339.779 1.068 20 5 EDBDMO C[C@](O)(C[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000601952857 449241831 /nfs/dbraw/zinc/24/18/31/449241831.db2.gz JPUSNGRQFPLATF-YJBOKZPZSA-N 1 1 349.431 1.629 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601958284 449245402 /nfs/dbraw/zinc/24/54/02/449245402.db2.gz ZVWCEXOBSQXFJL-KRWDZBQOSA-N 1 1 329.356 1.394 20 5 EDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000604531895 449247837 /nfs/dbraw/zinc/24/78/37/449247837.db2.gz FGZFWWQFLSBTQH-GASCZTMLSA-N 1 1 333.436 1.985 20 5 EDBDMO O=[N+]([O-])c1ccc(OCCCN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595869734 449221084 /nfs/dbraw/zinc/22/10/84/449221084.db2.gz XYVPZVXUOZGUJE-QGZVFWFLSA-N 1 1 349.431 1.895 20 5 EDBDMO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598221497 449297268 /nfs/dbraw/zinc/29/72/68/449297268.db2.gz WESJKWGKQKTNIF-LBPRGKRZSA-N 1 1 335.408 1.774 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)[C@H]2C1 ZINC000611521639 449319371 /nfs/dbraw/zinc/31/93/71/449319371.db2.gz ONLFYBBETAFGPD-WFASDCNBSA-N 1 1 333.388 1.892 20 5 EDBDMO Nc1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)nc1[N+](=O)[O-] ZINC000596063044 449343271 /nfs/dbraw/zinc/34/32/71/449343271.db2.gz XENMJCGUHWYKMI-UHFFFAOYSA-N 1 1 343.387 2.016 20 5 EDBDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000602102628 449347510 /nfs/dbraw/zinc/34/75/10/449347510.db2.gz QYVPNBPIPTUNER-QWHCGFSZSA-N 1 1 333.392 1.344 20 5 EDBDMO C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594083296 449349136 /nfs/dbraw/zinc/34/91/36/449349136.db2.gz XEQKCFGIQQBXPA-UTUOFQBUSA-N 1 1 337.380 1.031 20 5 EDBDMO C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594083296 449349143 /nfs/dbraw/zinc/34/91/43/449349143.db2.gz XEQKCFGIQQBXPA-UTUOFQBUSA-N 1 1 337.380 1.031 20 5 EDBDMO CN(C)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596076764 449351295 /nfs/dbraw/zinc/35/12/95/449351295.db2.gz PGGYXZVFIXNFML-UHFFFAOYSA-N 1 1 335.408 1.132 20 5 EDBDMO C[C@H]1CCCC[N@H+]1CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596078014 449352555 /nfs/dbraw/zinc/35/25/55/449352555.db2.gz YFOHVNNLEKVXGT-NSHDSACASA-N 1 1 342.421 1.529 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598599399 449484428 /nfs/dbraw/zinc/48/44/28/449484428.db2.gz MZXGFZOZDCFFGQ-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598599399 449484435 /nfs/dbraw/zinc/48/44/35/449484435.db2.gz MZXGFZOZDCFFGQ-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1([NH3+])CCOCC1 ZINC000600678166 449487349 /nfs/dbraw/zinc/48/73/49/449487349.db2.gz MSYXSTDZIPHQHU-LBPRGKRZSA-N 1 1 336.392 1.409 20 5 EDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N)CCOCC1 ZINC000600678166 449487357 /nfs/dbraw/zinc/48/73/57/449487357.db2.gz MSYXSTDZIPHQHU-LBPRGKRZSA-N 1 1 336.392 1.409 20 5 EDBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594394256 449490947 /nfs/dbraw/zinc/49/09/47/449490947.db2.gz VZEHYRUEMPLYFU-JKSUJKDBSA-N 1 1 348.403 1.064 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3COCCN3)cs2)c1 ZINC000600777552 449543686 /nfs/dbraw/zinc/54/36/86/449543686.db2.gz UYQXHJYWJSZRRR-LBPRGKRZSA-N 1 1 334.401 1.796 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc1 ZINC000594484589 449547726 /nfs/dbraw/zinc/54/77/26/449547726.db2.gz VHYLLRPHRPWSNT-CHWSQXEVSA-N 1 1 340.405 1.285 20 5 EDBDMO C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1CO ZINC000598651742 449521526 /nfs/dbraw/zinc/52/15/26/449521526.db2.gz VLGCKNIPSRJUGS-JSGCOSHPSA-N 1 1 333.388 1.434 20 5 EDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1CO ZINC000598651742 449521529 /nfs/dbraw/zinc/52/15/29/449521529.db2.gz VLGCKNIPSRJUGS-JSGCOSHPSA-N 1 1 333.388 1.434 20 5 EDBDMO Cn1cc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602453364 449598843 /nfs/dbraw/zinc/59/88/43/449598843.db2.gz IVGJWTVDLQWSEM-UHFFFAOYSA-N 1 1 349.435 1.989 20 5 EDBDMO CO[C@]1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC000602472693 449618364 /nfs/dbraw/zinc/61/83/64/449618364.db2.gz PDBSOSBGPOCWOX-KRWDZBQOSA-N 1 1 349.387 1.158 20 5 EDBDMO Nc1ncc2c(n1)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000598948541 449666077 /nfs/dbraw/zinc/66/60/77/449666077.db2.gz HEYWUFUEYRSJPU-UHFFFAOYSA-N 1 1 342.359 1.354 20 5 EDBDMO Nc1ncc2c(n1)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000598948541 449666086 /nfs/dbraw/zinc/66/60/86/449666086.db2.gz HEYWUFUEYRSJPU-UHFFFAOYSA-N 1 1 342.359 1.354 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000594760794 449674691 /nfs/dbraw/zinc/67/46/91/449674691.db2.gz SYDRWXPJBNKTQG-VXGBXAGGSA-N 1 1 342.421 1.483 20 5 EDBDMO CC[N@H+]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000598905751 449641159 /nfs/dbraw/zinc/64/11/59/449641159.db2.gz MTLBLPSWOHQQHO-GFCCVEGCSA-N 1 1 349.391 1.269 20 5 EDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000601154507 449720893 /nfs/dbraw/zinc/72/08/93/449720893.db2.gz MRBBJJPKKVEVFH-UHFFFAOYSA-N 1 1 345.285 1.397 20 5 EDBDMO O=[N+]([O-])c1ccc2ncnc(NC3CC([NH+]4CCOCC4)C3)c2c1 ZINC000599095095 449729076 /nfs/dbraw/zinc/72/90/76/449729076.db2.gz QXKZXNDWZPQPPY-UHFFFAOYSA-N 1 1 329.360 1.813 20 5 EDBDMO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000601253445 449776360 /nfs/dbraw/zinc/77/63/60/449776360.db2.gz NWAKFGVRHRAOAS-UHFFFAOYSA-N 1 1 331.351 1.889 20 5 EDBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175654 449780723 /nfs/dbraw/zinc/78/07/23/449780723.db2.gz GTTCTFRAVHCVNU-LLVKDONJSA-N 1 1 341.339 1.389 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000594847723 449756207 /nfs/dbraw/zinc/75/62/07/449756207.db2.gz UNDXLHYDRLOBIJ-UHFFFAOYSA-N 1 1 327.406 1.394 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)N1CCN(C)CC1 ZINC000595014527 449841971 /nfs/dbraw/zinc/84/19/71/449841971.db2.gz WLWLPZHKEKTLLB-UONOGXRCSA-N 1 1 336.436 1.890 20 5 EDBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602764622 449790375 /nfs/dbraw/zinc/79/03/75/449790375.db2.gz FAJZKQIRRXVWBC-AWEZNQCLSA-N 1 1 337.424 1.728 20 5 EDBDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602847736 449854146 /nfs/dbraw/zinc/85/41/46/449854146.db2.gz BATLNESTDHHULS-GFCCVEGCSA-N 1 1 349.313 1.100 20 5 EDBDMO COc1cc(C[NH2+]C/C=C/CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000597186320 449861150 /nfs/dbraw/zinc/86/11/50/449861150.db2.gz HINCJPYXFZHXIL-NSCUHMNNSA-N 1 1 332.303 1.885 20 5 EDBDMO CC1(C)CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000614920184 449875467 /nfs/dbraw/zinc/87/54/67/449875467.db2.gz GOXJTYITRFJVHK-UHFFFAOYSA-N 1 1 337.420 1.752 20 5 EDBDMO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000614920184 449875475 /nfs/dbraw/zinc/87/54/75/449875475.db2.gz GOXJTYITRFJVHK-UHFFFAOYSA-N 1 1 337.420 1.752 20 5 EDBDMO CC1(C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000614920184 449875481 /nfs/dbraw/zinc/87/54/81/449875481.db2.gz GOXJTYITRFJVHK-UHFFFAOYSA-N 1 1 337.420 1.752 20 5 EDBDMO Cc1nnc(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)n1C ZINC000602941812 449944009 /nfs/dbraw/zinc/94/40/09/449944009.db2.gz JLVWWGKTLDRIMX-UHFFFAOYSA-N 1 1 346.391 1.233 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000602916630 449919069 /nfs/dbraw/zinc/91/90/69/449919069.db2.gz OPXJNUPOCJZPHX-CQSZACIVSA-N 1 1 338.408 1.353 20 5 EDBDMO C[C@@H]1CCCN(C(=O)C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000602965898 449968806 /nfs/dbraw/zinc/96/88/06/449968806.db2.gz QSGIBNMGDRJVRV-DYVFJYSZSA-N 1 1 335.404 1.650 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000595354960 450070633 /nfs/dbraw/zinc/07/06/33/450070633.db2.gz PTHQIJPOZDXNRB-LLVKDONJSA-N 1 1 343.405 1.366 20 5 EDBDMO CS(=O)(=O)c1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384356 450022841 /nfs/dbraw/zinc/02/28/41/450022841.db2.gz NEHPPDPQOGFNSI-GFCCVEGCSA-N 1 1 339.417 1.895 20 5 EDBDMO CS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384356 450022845 /nfs/dbraw/zinc/02/28/45/450022845.db2.gz NEHPPDPQOGFNSI-GFCCVEGCSA-N 1 1 339.417 1.895 20 5 EDBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000603111373 450073758 /nfs/dbraw/zinc/07/37/58/450073758.db2.gz PRAGMVJPGWLDFR-LSDHHAIUSA-N 1 1 333.388 1.824 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000609560676 450051107 /nfs/dbraw/zinc/05/11/07/450051107.db2.gz KCJYIGGWEDWRHZ-LLVKDONJSA-N 1 1 342.421 1.384 20 5 EDBDMO CCN1C(=O)N=NC1C1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595395040 450108825 /nfs/dbraw/zinc/10/88/25/450108825.db2.gz UMOHBBNIBSUHRY-UHFFFAOYSA-N 1 1 336.352 1.588 20 5 EDBDMO COc1cccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000597577037 450120496 /nfs/dbraw/zinc/12/04/96/450120496.db2.gz FRZNZTBLBUUNTP-STQMWFEESA-N 1 1 337.351 1.862 20 5 EDBDMO C[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C(=O)N1c1cnn(C)c1 ZINC000610272522 450179411 /nfs/dbraw/zinc/17/94/11/450179411.db2.gz XVIVYTRIZUFGLH-JOYOIKCWSA-N 1 1 335.389 1.673 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000610336430 450195551 /nfs/dbraw/zinc/19/55/51/450195551.db2.gz AAOHJRGUOZKLIG-IAGOWNOFSA-N 1 1 346.387 1.616 20 5 EDBDMO O=C1[C@H]([N@@H+]2[C@@H]3CC[C@H]2CNC(=O)C3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610506581 450247394 /nfs/dbraw/zinc/24/73/94/450247394.db2.gz DTOLATKPLGENQP-VHDGCEQUSA-N 1 1 344.371 1.053 20 5 EDBDMO COC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000610573059 450265137 /nfs/dbraw/zinc/26/51/37/450265137.db2.gz RCFKGIVJODYIPN-UHFFFAOYSA-N 1 1 327.406 1.805 20 5 EDBDMO O=[N+]([O-])c1ncccc1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000603846302 450358734 /nfs/dbraw/zinc/35/87/34/450358734.db2.gz MDJUNCVDQZAISW-UHFFFAOYSA-N 1 1 343.391 1.404 20 5 EDBDMO Cc1c(CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000616255471 450370088 /nfs/dbraw/zinc/37/00/88/450370088.db2.gz SUDUNBRDTWZXAM-IUODEOHRSA-N 1 1 336.392 1.422 20 5 EDBDMO Cc1c(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000616255471 450370091 /nfs/dbraw/zinc/37/00/91/450370091.db2.gz SUDUNBRDTWZXAM-IUODEOHRSA-N 1 1 336.392 1.422 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000619481329 450485720 /nfs/dbraw/zinc/48/57/20/450485720.db2.gz GAKRJSPQONLBHO-CYBMUJFWSA-N 1 1 336.440 1.700 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000619481329 450485723 /nfs/dbraw/zinc/48/57/23/450485723.db2.gz GAKRJSPQONLBHO-CYBMUJFWSA-N 1 1 336.440 1.700 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115548887 486876247 /nfs/dbraw/zinc/87/62/47/486876247.db2.gz SCIVSBOIXBRARF-UHFFFAOYSA-N 1 1 337.420 1.752 20 5 EDBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171718249 533837252 /nfs/dbraw/zinc/83/72/52/533837252.db2.gz VBYLKJGMNVDULB-KBPBESRZSA-N 1 1 349.435 1.591 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000174463682 527833219 /nfs/dbraw/zinc/83/32/19/527833219.db2.gz YXXDLMKJXMBAOH-GFCCVEGCSA-N 1 1 349.387 1.795 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000129210450 527840023 /nfs/dbraw/zinc/84/00/23/527840023.db2.gz MUCNRQSQZFJQJK-SNVBAGLBSA-N 1 1 347.462 1.838 20 5 EDBDMO CCC[N@H+]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000131241092 535359997 /nfs/dbraw/zinc/35/99/97/535359997.db2.gz JXDRVCPUWQYEJX-UHFFFAOYSA-N 1 1 341.433 1.842 20 5 EDBDMO C[N@H+]1CCC[C@@]2(CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000339426951 536381623 /nfs/dbraw/zinc/38/16/23/536381623.db2.gz DEUUYEYLTICIAI-MAUKXSAKSA-N 1 1 349.431 1.752 20 5 EDBDMO CN1CCC[C@@]2(CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000339426951 536381634 /nfs/dbraw/zinc/38/16/34/536381634.db2.gz DEUUYEYLTICIAI-MAUKXSAKSA-N 1 1 349.431 1.752 20 5 EDBDMO CN1CCC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000339426951 536381637 /nfs/dbraw/zinc/38/16/37/536381637.db2.gz DEUUYEYLTICIAI-MAUKXSAKSA-N 1 1 349.431 1.752 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000742404947 579451146 /nfs/dbraw/zinc/45/11/46/579451146.db2.gz NSCLATYYUZCKAZ-GFCCVEGCSA-N 1 1 336.392 1.111 20 5 EDBDMO C[N@@H+](CCCNC(=O)C1CCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759998696 580021272 /nfs/dbraw/zinc/02/12/72/580021272.db2.gz IXRARTYBSYBURM-MRXNPFEDSA-N 1 1 335.404 1.866 20 5 EDBDMO CCOCC[N@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1C ZINC000732038588 578688117 /nfs/dbraw/zinc/68/81/17/578688117.db2.gz KUKPVIFZWPFTFU-CYBMUJFWSA-N 1 1 333.392 1.790 20 5 EDBDMO CN(Cn1cc(Br)c([N+](=O)[O-])n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732188292 578695894 /nfs/dbraw/zinc/69/58/94/578695894.db2.gz HKVVRALBDRKOFT-JTQLQIEISA-N 1 1 344.213 1.680 20 5 EDBDMO O=[N+]([O-])c1ccccc1C[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000749396862 579724965 /nfs/dbraw/zinc/72/49/65/579724965.db2.gz FBXCFLGUHBICLI-UHFFFAOYSA-N 1 1 349.412 1.804 20 5 EDBDMO CC(=O)N(C)C1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749949268 579744729 /nfs/dbraw/zinc/74/47/29/579744729.db2.gz NHFISTFICBLCQX-UHFFFAOYSA-N 1 1 346.391 1.548 20 5 EDBDMO Cc1nn(C[NH+]2CCC(C3OCCO3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749954063 579745234 /nfs/dbraw/zinc/74/52/34/579745234.db2.gz HZZBLLCEQBWVNR-UHFFFAOYSA-N 1 1 347.375 1.690 20 5 EDBDMO O=C([C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000750069631 579750972 /nfs/dbraw/zinc/75/09/72/579750972.db2.gz XSRGFHWBAIKEFB-NVXWUHKLSA-N 1 1 347.415 1.963 20 5 EDBDMO Cc1cc(F)cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000753094912 579872488 /nfs/dbraw/zinc/87/24/88/579872488.db2.gz RRVCDABFSTZCBO-OLZOCXBDSA-N 1 1 337.351 1.635 20 5 EDBDMO Cc1[nH+]ccn1CCOC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000771912510 580298192 /nfs/dbraw/zinc/29/81/92/580298192.db2.gz UIUFPRWQZJCFNT-UHFFFAOYSA-N 1 1 329.316 1.693 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000778290128 580460982 /nfs/dbraw/zinc/46/09/82/580460982.db2.gz RVMLZMVZTHWLCT-WCBMZHEXSA-N 1 1 335.389 1.812 20 5 EDBDMO C/C(=C\C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000784088696 580613472 /nfs/dbraw/zinc/61/34/72/580613472.db2.gz UMXNDCBQFYFBFR-PRRUQHAXSA-N 1 1 333.388 1.833 20 5 EDBDMO C/C(=C\C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000784088696 580613473 /nfs/dbraw/zinc/61/34/73/580613473.db2.gz UMXNDCBQFYFBFR-PRRUQHAXSA-N 1 1 333.388 1.833 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000790455646 580770704 /nfs/dbraw/zinc/77/07/04/580770704.db2.gz HXGYLYPPAKGSBM-LBPRGKRZSA-N 1 1 344.375 1.302 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000790455646 580770705 /nfs/dbraw/zinc/77/07/05/580770705.db2.gz HXGYLYPPAKGSBM-LBPRGKRZSA-N 1 1 344.375 1.302 20 5 EDBDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792871551 580829818 /nfs/dbraw/zinc/82/98/18/580829818.db2.gz MKYRUVHMTJLZJP-AWEZNQCLSA-N 1 1 341.320 1.561 20 5 EDBDMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000793601451 580848790 /nfs/dbraw/zinc/84/87/90/580848790.db2.gz WYQYHJWFDIPUSW-MRXNPFEDSA-N 1 1 330.344 1.566 20 5 EDBDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000793601451 580848791 /nfs/dbraw/zinc/84/87/91/580848791.db2.gz WYQYHJWFDIPUSW-MRXNPFEDSA-N 1 1 330.344 1.566 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC000794929995 580908470 /nfs/dbraw/zinc/90/84/70/580908470.db2.gz QMCXNUGINRQGBA-XHDPSFHLSA-N 1 1 336.367 1.698 20 5 EDBDMO CN1C[C@@H]2CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC000794929995 580908471 /nfs/dbraw/zinc/90/84/71/580908471.db2.gz QMCXNUGINRQGBA-XHDPSFHLSA-N 1 1 336.367 1.698 20 5 EDBDMO CN1C[C@@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC000794929995 580908472 /nfs/dbraw/zinc/90/84/72/580908472.db2.gz QMCXNUGINRQGBA-XHDPSFHLSA-N 1 1 336.367 1.698 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(C)C ZINC000795170650 580914969 /nfs/dbraw/zinc/91/49/69/580914969.db2.gz FXDLXEZXCFQLSD-UHFFFAOYSA-N 1 1 345.421 1.612 20 5 EDBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+]1CCC[C@H]1C ZINC000795171665 580915050 /nfs/dbraw/zinc/91/50/50/580915050.db2.gz OKIRZMSGWARSCX-LLVKDONJSA-N 1 1 343.405 1.366 20 5 EDBDMO CO[C@@H](C)C[N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000795751766 580936676 /nfs/dbraw/zinc/93/66/76/580936676.db2.gz ZEYSHHXWYPKUCP-NSHDSACASA-N 1 1 336.348 1.288 20 5 EDBDMO CO[C@@H](C)C[N@@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000795751766 580936677 /nfs/dbraw/zinc/93/66/77/580936677.db2.gz ZEYSHHXWYPKUCP-NSHDSACASA-N 1 1 336.348 1.288 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000893602889 591002802 /nfs/dbraw/zinc/00/28/02/591002802.db2.gz MXWPXJJNELKTKG-GASCZTMLSA-N 1 1 327.388 1.897 20 5 EDBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnc4n3CCOC4)CC2)n1 ZINC000894080832 591188849 /nfs/dbraw/zinc/18/88/49/591188849.db2.gz ZVQUFRYLCOCOGL-UHFFFAOYSA-N 1 1 332.364 1.355 20 5 EDBDMO COc1c(O)ccc(C[N@H+](C)[C@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000894110874 591197420 /nfs/dbraw/zinc/19/74/20/591197420.db2.gz SPYYROFZJBGELT-GFCCVEGCSA-N 1 1 339.392 1.462 20 5 EDBDMO COc1c(O)ccc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000894110874 591197422 /nfs/dbraw/zinc/19/74/22/591197422.db2.gz SPYYROFZJBGELT-GFCCVEGCSA-N 1 1 339.392 1.462 20 5 EDBDMO CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000896053502 591332810 /nfs/dbraw/zinc/33/28/10/591332810.db2.gz CWPKYZBBQNZXTI-UHFFFAOYSA-N 1 1 347.824 1.762 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896533690 591499360 /nfs/dbraw/zinc/49/93/60/591499360.db2.gz IYICLUMXYKSMJY-CZUORRHYSA-N 1 1 334.420 1.576 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)n1 ZINC000895101445 591586964 /nfs/dbraw/zinc/58/69/64/591586964.db2.gz LOWZNMJFJAICEN-ZDUSSCGKSA-N 1 1 336.392 1.943 20 5 EDBDMO C[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@@H]1C[N@@H+](C)CCN1C ZINC000895245816 591678786 /nfs/dbraw/zinc/67/87/86/591678786.db2.gz IDRJFCNDFFGOEZ-FZMZJTMJSA-N 1 1 330.392 1.584 20 5 EDBDMO C[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895245816 591678787 /nfs/dbraw/zinc/67/87/87/591678787.db2.gz IDRJFCNDFFGOEZ-FZMZJTMJSA-N 1 1 330.392 1.584 20 5 EDBDMO C[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@@H]1CN(C)CC[N@H+]1C ZINC000895245816 591678788 /nfs/dbraw/zinc/67/87/88/591678788.db2.gz IDRJFCNDFFGOEZ-FZMZJTMJSA-N 1 1 330.392 1.584 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC000895574718 591805281 /nfs/dbraw/zinc/80/52/81/591805281.db2.gz YVPBYSGSLVUFRR-LBPRGKRZSA-N 1 1 326.324 1.938 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1C ZINC000903215251 592140622 /nfs/dbraw/zinc/14/06/22/592140622.db2.gz DRRCYWTZVVORNH-ZDUSSCGKSA-N 1 1 339.417 1.680 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906408020 592812391 /nfs/dbraw/zinc/81/23/91/592812391.db2.gz ANSBSXUSOAUTBR-LLVKDONJSA-N 1 1 347.371 1.723 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910295559 592833399 /nfs/dbraw/zinc/83/33/99/592833399.db2.gz NIXBWKJIYMMEJC-CYBMUJFWSA-N 1 1 348.403 1.267 20 5 EDBDMO COC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000839629657 593354889 /nfs/dbraw/zinc/35/48/89/593354889.db2.gz BNFDSEVJOPUDTA-LBPRGKRZSA-N 1 1 341.795 1.785 20 5 EDBDMO CC(C)[C@H](C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[NH+](C)C ZINC000803700723 593357174 /nfs/dbraw/zinc/35/71/74/593357174.db2.gz FXPFHBHHQCSKEM-HUUCEWRRSA-N 1 1 349.387 1.830 20 5 EDBDMO Cc1c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000816948635 593561995 /nfs/dbraw/zinc/56/19/95/593561995.db2.gz BOWDDHREYARWHQ-QMTHXVAHSA-N 1 1 334.332 1.588 20 5 EDBDMO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817907228 593647555 /nfs/dbraw/zinc/64/75/55/593647555.db2.gz MSRIZSYTZKNVBA-OLZOCXBDSA-N 1 1 327.768 1.631 20 5 EDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000819717757 593764706 /nfs/dbraw/zinc/76/47/06/593764706.db2.gz KWERHOSOFDSLRH-DZGCQCFKSA-N 1 1 347.371 1.339 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000820263880 593804180 /nfs/dbraw/zinc/80/41/80/593804180.db2.gz INIDJEHADROSTE-XVKPBYJWSA-N 1 1 342.758 1.746 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000827675745 594256479 /nfs/dbraw/zinc/25/64/79/594256479.db2.gz YFKQRNOAMKOJLP-WDEREUQCSA-N 1 1 338.383 1.965 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000827675745 594256480 /nfs/dbraw/zinc/25/64/80/594256480.db2.gz YFKQRNOAMKOJLP-WDEREUQCSA-N 1 1 338.383 1.965 20 5 EDBDMO O=C1OCCN1C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830124792 594340584 /nfs/dbraw/zinc/34/05/84/594340584.db2.gz PPXKHYBESDWVIF-IUODEOHRSA-N 1 1 335.360 1.402 20 5 EDBDMO CC1(C)CCC[N@@H+](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000831195873 594578900 /nfs/dbraw/zinc/57/89/00/594578900.db2.gz NBYRRYZTTQJKQE-OAHLLOKOSA-N 1 1 335.404 1.866 20 5 EDBDMO C[C@@H]1COCC[N@H+]1C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846911010 595336139 /nfs/dbraw/zinc/33/61/39/595336139.db2.gz GIIVYGBUEJADFP-KDOFPFPSSA-N 1 1 349.431 1.813 20 5 EDBDMO C[C@@H]1COCCN1C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846911010 595336142 /nfs/dbraw/zinc/33/61/42/595336142.db2.gz GIIVYGBUEJADFP-KDOFPFPSSA-N 1 1 349.431 1.813 20 5 EDBDMO COCCOCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000844466700 595347780 /nfs/dbraw/zinc/34/77/80/595347780.db2.gz ABGSRNWCEVNHPA-UHFFFAOYSA-N 1 1 341.383 1.515 20 5 EDBDMO C[C@H]1CCOCC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483309 595391463 /nfs/dbraw/zinc/39/14/63/595391463.db2.gz BXOOBLRJEZGWEK-XJKSGUPXSA-N 1 1 333.388 1.979 20 5 EDBDMO C[C@H]1CCOCC[N@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483309 595391466 /nfs/dbraw/zinc/39/14/66/595391466.db2.gz BXOOBLRJEZGWEK-XJKSGUPXSA-N 1 1 333.388 1.979 20 5 EDBDMO CC[N@@H+](C)C[C@H](O)Cn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000848674573 595426568 /nfs/dbraw/zinc/42/65/68/595426568.db2.gz GHNIWJGXTJJUII-VIFPVBQESA-N 1 1 340.767 1.271 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)cc([N+](=O)[O-])c1F ZINC000850592541 595542364 /nfs/dbraw/zinc/54/23/64/595542364.db2.gz OLCGLDDTIHYEFN-UHFFFAOYSA-N 1 1 331.369 1.415 20 5 EDBDMO COc1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])cc1C ZINC000853966242 595936633 /nfs/dbraw/zinc/93/66/33/595936633.db2.gz QMFSNCONZAFHTF-CQSZACIVSA-N 1 1 335.404 1.947 20 5 EDBDMO COC(CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000851848553 595945411 /nfs/dbraw/zinc/94/54/11/595945411.db2.gz MESYLSFDATYBHT-UHFFFAOYSA-N 1 1 337.376 1.362 20 5 EDBDMO Cc1[nH+]ccn1CCOC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000857021606 596141637 /nfs/dbraw/zinc/14/16/37/596141637.db2.gz QJEJQOIMYUTCIJ-UHFFFAOYSA-N 1 1 347.331 1.465 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000867812738 596564900 /nfs/dbraw/zinc/56/49/00/596564900.db2.gz LUBRANTWCGSMEG-IUODEOHRSA-N 1 1 339.417 1.618 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000867815005 596566138 /nfs/dbraw/zinc/56/61/38/596566138.db2.gz WPVOAEVHGUVOEJ-DZGCQCFKSA-N 1 1 339.417 1.451 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000868233628 596738911 /nfs/dbraw/zinc/73/89/11/596738911.db2.gz XRRUDYVRFAZICP-BBRMVZONSA-N 1 1 348.403 1.709 20 5 EDBDMO Cc1nn(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000872723647 597046124 /nfs/dbraw/zinc/04/61/24/597046124.db2.gz NJSNUSGRCNUXNP-SWLSCSKDSA-N 1 1 330.392 1.631 20 5 EDBDMO COc1ccc(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874840192 597194246 /nfs/dbraw/zinc/19/42/46/597194246.db2.gz KRZOHZVHEMBUEE-KGLIPLIRSA-N 1 1 333.388 1.841 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878022018 597569942 /nfs/dbraw/zinc/56/99/42/597569942.db2.gz VEYVNANGIYZEJG-LBPRGKRZSA-N 1 1 349.387 1.970 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[N@@H+]1C ZINC000878977604 597772057 /nfs/dbraw/zinc/77/20/57/597772057.db2.gz RIEVKFPCKIQBHT-LLVKDONJSA-N 1 1 335.360 1.532 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[N@H+]1C ZINC000878977604 597772059 /nfs/dbraw/zinc/77/20/59/597772059.db2.gz RIEVKFPCKIQBHT-LLVKDONJSA-N 1 1 335.360 1.532 20 5 EDBDMO COc1ccc(OCC[N@H+](C)[C@@H]2CCOC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000880425015 597928332 /nfs/dbraw/zinc/92/83/32/597928332.db2.gz CWKVFYRAPQZAIO-CZUORRHYSA-N 1 1 340.376 1.718 20 5 EDBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000880430973 597931562 /nfs/dbraw/zinc/93/15/62/597931562.db2.gz RMSWESURCFWQQC-GJZGRUSLSA-N 1 1 337.376 1.659 20 5 EDBDMO Cc1ccc(Cn2cc(CCC[NH+]3CCOCC3)nn2)cc1[N+](=O)[O-] ZINC000881212424 598099454 /nfs/dbraw/zinc/09/94/54/598099454.db2.gz QIBXCHODHVWURE-UHFFFAOYSA-N 1 1 345.403 1.808 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccn1 ZINC001031506089 697192039 /nfs/dbraw/zinc/19/20/39/697192039.db2.gz JNIZUBYMHRFBID-UHFFFAOYSA-N 1 1 326.356 1.852 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1cc[n+]([O-])cc1 ZINC001031531321 697216215 /nfs/dbraw/zinc/21/62/15/697216215.db2.gz PGTQJLBPVAVWHO-UHFFFAOYSA-N 1 1 342.355 1.090 20 5 EDBDMO Cc1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000919853521 697349995 /nfs/dbraw/zinc/34/99/95/697349995.db2.gz JFOCOKKBTDGBIL-QWHCGFSZSA-N 1 1 339.417 1.760 20 5 EDBDMO Cc1[nH]c(=O)[nH]c1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031749798 698921933 /nfs/dbraw/zinc/92/19/33/698921933.db2.gz RHWQPIODQJRXEO-UHFFFAOYSA-N 1 1 345.359 1.194 20 5 EDBDMO CCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC000996439876 702769557 /nfs/dbraw/zinc/76/95/57/702769557.db2.gz HHIRPDOSQWWAPS-CHWSQXEVSA-N 1 1 338.433 1.451 20 5 EDBDMO COc1cccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001005375649 708732215 /nfs/dbraw/zinc/73/22/15/708732215.db2.gz NTYKEUIXDFQGHR-IAGOWNOFSA-N 1 1 347.415 1.783 20 5 EDBDMO CCc1ccc(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000184317128 529606242 /nfs/dbraw/zinc/60/62/42/529606242.db2.gz UAUNCGKJTKIXKL-AWEZNQCLSA-N 1 1 348.447 1.913 20 5 EDBDMO CNC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000170791989 529857377 /nfs/dbraw/zinc/85/73/77/529857377.db2.gz PKKXMBQWPDPAPA-SECBINFHSA-N 1 1 342.783 1.643 20 5 EDBDMO CNC(=O)CC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000170791989 529857378 /nfs/dbraw/zinc/85/73/78/529857378.db2.gz PKKXMBQWPDPAPA-SECBINFHSA-N 1 1 342.783 1.643 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000104659617 219402531 /nfs/dbraw/zinc/40/25/31/219402531.db2.gz WXYAZZTZSLJHMB-NEPJUHHUSA-N 1 1 336.392 1.476 20 5 EDBDMO O=[N+]([O-])c1cc(CN2CCN(c3[nH]cc[nH+]3)CC2)c2c(c1)COCO2 ZINC000562925492 306312630 /nfs/dbraw/zinc/31/26/30/306312630.db2.gz LJKPIHMISMZPRO-UHFFFAOYSA-N 1 1 345.359 1.507 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000563083336 306318025 /nfs/dbraw/zinc/31/80/25/306318025.db2.gz HYXQRKOVJVFOTN-GDBMZVCRSA-N 1 1 336.388 1.835 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000563083336 306318024 /nfs/dbraw/zinc/31/80/24/306318024.db2.gz HYXQRKOVJVFOTN-GDBMZVCRSA-N 1 1 336.388 1.835 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000184411919 235391633 /nfs/dbraw/zinc/39/16/33/235391633.db2.gz VSYONQOWDPRUQE-LBPRGKRZSA-N 1 1 338.383 1.490 20 5 EDBDMO CNc1ccc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000563515506 306336492 /nfs/dbraw/zinc/33/64/92/306336492.db2.gz YWOAYQPTCSGAOJ-RYUDHWBXSA-N 1 1 336.392 1.164 20 5 EDBDMO CNc1ccc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000563515506 306336493 /nfs/dbraw/zinc/33/64/93/306336493.db2.gz YWOAYQPTCSGAOJ-RYUDHWBXSA-N 1 1 336.392 1.164 20 5 EDBDMO CCC(=O)N1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077387588 138252449 /nfs/dbraw/zinc/25/24/49/138252449.db2.gz LHCJZCDWKFOLBI-UHFFFAOYSA-N 1 1 348.403 1.868 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1C ZINC000124833468 138330001 /nfs/dbraw/zinc/33/00/01/138330001.db2.gz OQYSGRMXQKJTSF-BETUJISGSA-N 1 1 339.417 1.727 20 5 EDBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180532430 138759915 /nfs/dbraw/zinc/75/99/15/138759915.db2.gz IBDBATJLHJWWLC-LBPRGKRZSA-N 1 1 335.408 1.956 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564781275 306364334 /nfs/dbraw/zinc/36/43/34/306364334.db2.gz 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CC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000495231274 255274520 /nfs/dbraw/zinc/27/45/20/255274520.db2.gz UOOORUNUNICVSJ-ZBEGNZNMSA-N 1 1 337.376 1.777 20 5 EDBDMO CC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000495231274 255274521 /nfs/dbraw/zinc/27/45/21/255274521.db2.gz UOOORUNUNICVSJ-ZBEGNZNMSA-N 1 1 337.376 1.777 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000154521884 224266754 /nfs/dbraw/zinc/26/67/54/224266754.db2.gz BAPLLXHYPFMJMA-GJZGRUSLSA-N 1 1 349.435 1.741 20 5 EDBDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264103052 139380608 /nfs/dbraw/zinc/38/06/08/139380608.db2.gz AVSXHPPTCIVMKZ-NSHDSACASA-N 1 1 335.360 1.390 20 5 EDBDMO COc1ccc(CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000264331738 139397899 /nfs/dbraw/zinc/39/78/99/139397899.db2.gz WVLYAWPQVXPFOX-LLVKDONJSA-N 1 1 336.392 1.885 20 5 EDBDMO COc1cc(C(=O)N2CC[N@H+](C)CC2(C)C)cc([N+](=O)[O-])c1OC ZINC000270961231 140208516 /nfs/dbraw/zinc/20/85/16/140208516.db2.gz XSHGIZNGWXEMGC-UHFFFAOYSA-N 1 1 337.376 1.778 20 5 EDBDMO COc1cc(C(=O)N2CC[N@@H+](C)CC2(C)C)cc([N+](=O)[O-])c1OC ZINC000270961231 140208517 /nfs/dbraw/zinc/20/85/17/140208517.db2.gz XSHGIZNGWXEMGC-UHFFFAOYSA-N 1 1 337.376 1.778 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000271304482 140274320 /nfs/dbraw/zinc/27/43/20/140274320.db2.gz LBYHZESIESNFQZ-HNNXBMFYSA-N 1 1 343.387 1.895 20 5 EDBDMO CN(CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000331728370 141074147 /nfs/dbraw/zinc/07/41/47/141074147.db2.gz ZJDYHNRBCZBDIW-KGLIPLIRSA-N 1 1 332.404 1.774 20 5 EDBDMO C[C@]1(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000331963154 141103755 /nfs/dbraw/zinc/10/37/55/141103755.db2.gz SLHJWNKIFIMNPC-CQSZACIVSA-N 1 1 338.389 1.466 20 5 EDBDMO C[N@H+]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C(C)(C)C1 ZINC000332076034 141118538 /nfs/dbraw/zinc/11/85/38/141118538.db2.gz WWMJVJOWTDOAFF-UHFFFAOYSA-N 1 1 348.403 1.919 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000332340652 141165336 /nfs/dbraw/zinc/16/53/36/141165336.db2.gz SCHZQIVLWCLWKA-KBPBESRZSA-N 1 1 346.431 1.898 20 5 EDBDMO COCCN1C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000345678645 143120412 /nfs/dbraw/zinc/12/04/12/143120412.db2.gz BFMDQYLCXCSWBQ-DAXOMENPSA-N 1 1 348.403 1.770 20 5 EDBDMO COCCN1C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000345678645 143120413 /nfs/dbraw/zinc/12/04/13/143120413.db2.gz BFMDQYLCXCSWBQ-DAXOMENPSA-N 1 1 348.403 1.770 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)c1C ZINC000416495419 304324549 /nfs/dbraw/zinc/32/45/49/304324549.db2.gz LUJNJBXUUIJNAI-GFCCVEGCSA-N 1 1 327.406 1.442 20 5 EDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H](C)C1 ZINC000346174334 143175048 /nfs/dbraw/zinc/17/50/48/143175048.db2.gz CUGLPNUTQZNIRP-MISXGVKJSA-N 1 1 333.392 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ZINC000364282805 153195360 /nfs/dbraw/zinc/19/53/60/153195360.db2.gz ONVRNNMEUBCPTA-STQMWFEESA-N 1 1 334.376 1.160 20 5 EDBDMO CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000364468246 153246516 /nfs/dbraw/zinc/24/65/16/153246516.db2.gz ZALQOYGVMMPIPK-ZIAGYGMSSA-N 1 1 349.387 1.587 20 5 EDBDMO COc1cncc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000364548741 153266479 /nfs/dbraw/zinc/26/64/79/153266479.db2.gz XSOWNSZJLSKKSH-UHFFFAOYSA-N 1 1 343.387 1.758 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369577725 155095806 /nfs/dbraw/zinc/09/58/06/155095806.db2.gz OMCPFZXIASJFIH-GFCCVEGCSA-N 1 1 332.364 1.017 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3ncccc3C2)c1 ZINC000372155780 156247016 /nfs/dbraw/zinc/24/70/16/156247016.db2.gz HGLDUOITCZPHBM-HNNXBMFYSA-N 1 1 329.356 1.788 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3ncccc3C2)c1 ZINC000372155780 156247019 /nfs/dbraw/zinc/24/70/19/156247019.db2.gz HGLDUOITCZPHBM-HNNXBMFYSA-N 1 1 329.356 1.788 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000374305843 157234400 /nfs/dbraw/zinc/23/44/00/157234400.db2.gz ACTMZTNLVWDZEA-LSDHHAIUSA-N 1 1 343.387 1.314 20 5 EDBDMO CNC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000374509221 157312925 /nfs/dbraw/zinc/31/29/25/157312925.db2.gz VJADFBAQTHJBEJ-UHFFFAOYSA-N 1 1 343.387 1.401 20 5 EDBDMO CNC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000374509221 157312929 /nfs/dbraw/zinc/31/29/29/157312929.db2.gz VJADFBAQTHJBEJ-UHFFFAOYSA-N 1 1 343.387 1.401 20 5 EDBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000158985285 225122086 /nfs/dbraw/zinc/12/20/86/225122086.db2.gz ZPAUMKDGXYOXOK-CYBMUJFWSA-N 1 1 329.360 1.712 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000158985285 225122089 /nfs/dbraw/zinc/12/20/89/225122089.db2.gz ZPAUMKDGXYOXOK-CYBMUJFWSA-N 1 1 329.360 1.712 20 5 EDBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000158985285 225122092 /nfs/dbraw/zinc/12/20/92/225122092.db2.gz ZPAUMKDGXYOXOK-CYBMUJFWSA-N 1 1 329.360 1.712 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000122450016 222090693 /nfs/dbraw/zinc/09/06/93/222090693.db2.gz QJZGKCNJYSPJSR-MNOVXSKESA-N 1 1 345.446 1.761 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028265183 267381206 /nfs/dbraw/zinc/38/12/06/267381206.db2.gz LBHRTNZHAMCBJJ-UHFFFAOYSA-N 1 1 329.360 1.136 20 5 EDBDMO CNS(=O)(=O)NC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280701206 273387471 /nfs/dbraw/zinc/38/74/71/273387471.db2.gz AMQZDYDZMKUKRK-LLVKDONJSA-N 1 1 342.421 1.174 20 5 EDBDMO CN1CCO[C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]21 ZINC000284380011 274181826 /nfs/dbraw/zinc/18/18/26/274181826.db2.gz FKQVBQGXFRYDNP-CVEARBPZSA-N 1 1 349.387 1.366 20 5 EDBDMO CN1CCO[C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]21 ZINC000284380011 274181828 /nfs/dbraw/zinc/18/18/28/274181828.db2.gz FKQVBQGXFRYDNP-CVEARBPZSA-N 1 1 349.387 1.366 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CCC[C@H]3C(=O)N(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000284476117 274215994 /nfs/dbraw/zinc/21/59/94/274215994.db2.gz ANOTYXHRNSXBDA-UKRRQHHQSA-N 1 1 349.387 1.535 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC[C@H]3C(=O)N(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000284476117 274215996 /nfs/dbraw/zinc/21/59/96/274215996.db2.gz ANOTYXHRNSXBDA-UKRRQHHQSA-N 1 1 349.387 1.535 20 5 EDBDMO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000284667102 274286010 /nfs/dbraw/zinc/28/60/10/274286010.db2.gz WTXNZWSRVMTAAY-HOTGVXAUSA-N 1 1 333.388 1.807 20 5 EDBDMO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000284667102 274286013 /nfs/dbraw/zinc/28/60/13/274286013.db2.gz WTXNZWSRVMTAAY-HOTGVXAUSA-N 1 1 333.388 1.807 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247133776 277083910 /nfs/dbraw/zinc/08/39/10/277083910.db2.gz RVDHGVRFGAHMAT-QWHCGFSZSA-N 1 1 339.417 1.700 20 5 EDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000358066072 277158661 /nfs/dbraw/zinc/15/86/61/277158661.db2.gz MBBBFAVBYUQSOI-CYBMUJFWSA-N 1 1 347.293 1.410 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000266280811 277204810 /nfs/dbraw/zinc/20/48/10/277204810.db2.gz GHELGKXKUHJFJC-UHFFFAOYSA-N 1 1 338.408 1.116 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000182113994 277318377 /nfs/dbraw/zinc/31/83/77/277318377.db2.gz BHALGYULGYUWQS-CQSZACIVSA-N 1 1 335.404 1.707 20 5 EDBDMO COC(=O)CCN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000182113994 277318378 /nfs/dbraw/zinc/31/83/78/277318378.db2.gz BHALGYULGYUWQS-CQSZACIVSA-N 1 1 335.404 1.707 20 5 EDBDMO COC(=O)CCN1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000182113994 277318379 /nfs/dbraw/zinc/31/83/79/277318379.db2.gz BHALGYULGYUWQS-CQSZACIVSA-N 1 1 335.404 1.707 20 5 EDBDMO C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459513022 278486590 /nfs/dbraw/zinc/48/65/90/278486590.db2.gz QXKFUUOSKVVAFG-CQSZACIVSA-N 1 1 347.419 1.513 20 5 EDBDMO C[C@@H]1[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[N@H+]1C ZINC000343412421 279124492 /nfs/dbraw/zinc/12/44/92/279124492.db2.gz GFVCZQCLLSVBEW-ZYHUDNBSSA-N 1 1 335.360 1.579 20 5 EDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189144485 279311217 /nfs/dbraw/zinc/31/12/17/279311217.db2.gz YLFPRANSCZZFQN-QWHCGFSZSA-N 1 1 341.433 1.994 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000182901610 279395667 /nfs/dbraw/zinc/39/56/67/279395667.db2.gz HLHKDGXOOXKRJX-LRDDRELGSA-N 1 1 346.387 1.546 20 5 EDBDMO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000287202391 288179389 /nfs/dbraw/zinc/17/93/89/288179389.db2.gz DPCJWEHMHKZZIV-NWDGAFQWSA-N 1 1 339.396 1.779 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)n1 ZINC000089952653 280376685 /nfs/dbraw/zinc/37/66/85/280376685.db2.gz OQKBLWPAPJTITH-OLZOCXBDSA-N 1 1 326.422 1.778 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000193248331 280655174 /nfs/dbraw/zinc/65/51/74/280655174.db2.gz MJOZTKNNCBXPFU-SECBINFHSA-N 1 1 333.797 1.539 20 5 EDBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000265008683 288311936 /nfs/dbraw/zinc/31/19/36/288311936.db2.gz WPXHLINERZWAKQ-NEPJUHHUSA-N 1 1 347.371 1.675 20 5 EDBDMO C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1[NH+]1CCOCC1 ZINC000287865334 288341434 /nfs/dbraw/zinc/34/14/34/288341434.db2.gz NDXZXKSHPNJPGA-CMPLNLGQSA-N 1 1 349.416 1.756 20 5 EDBDMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000287849413 288337884 /nfs/dbraw/zinc/33/78/84/288337884.db2.gz LOACAUYWXIVASX-UHFFFAOYSA-N 1 1 344.419 1.850 20 5 EDBDMO COc1ccc(OCC[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000361587838 295186013 /nfs/dbraw/zinc/18/60/13/295186013.db2.gz XBRDODWIUQRPLV-OCCSQVGLSA-N 1 1 340.376 1.454 20 5 EDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](C)C1 ZINC000488747888 297305910 /nfs/dbraw/zinc/30/59/10/297305910.db2.gz FZZLGNWLJRKFLN-XQQFMLRXSA-N 1 1 330.392 1.804 20 5 EDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000294351067 303095965 /nfs/dbraw/zinc/09/59/65/303095965.db2.gz BDSXXFMAHHLWGM-SNVBAGLBSA-N 1 1 325.340 1.814 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000295136743 303177692 /nfs/dbraw/zinc/17/76/92/303177692.db2.gz KMUDHOZQLKPNJA-JTQLQIEISA-N 1 1 325.365 1.633 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295395832 303213585 /nfs/dbraw/zinc/21/35/85/303213585.db2.gz YVSLSWYJLROEAG-NSHDSACASA-N 1 1 326.784 1.224 20 5 EDBDMO COC[C@]1(C(=O)OC)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296350127 303312564 /nfs/dbraw/zinc/31/25/64/303312564.db2.gz QJJGSPMIPICJES-INIZCTEOSA-N 1 1 338.360 1.485 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000423599739 304900801 /nfs/dbraw/zinc/90/08/01/304900801.db2.gz BUZYRXKLALLYCP-LBPRGKRZSA-N 1 1 349.778 1.768 20 5 EDBDMO CN(C)c1[nH+]cc(CN2CCOc3ccc([N+](=O)[O-])cc3C2)n1C ZINC000425388749 304962764 /nfs/dbraw/zinc/96/27/64/304962764.db2.gz WSBDULPDYSZKJE-UHFFFAOYSA-N 1 1 331.376 1.789 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)n1 ZINC000428539434 305011091 /nfs/dbraw/zinc/01/10/91/305011091.db2.gz SJYVKKPGDFVCPC-ZDUSSCGKSA-N 1 1 345.359 1.147 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000432562228 305093903 /nfs/dbraw/zinc/09/39/03/305093903.db2.gz JCTFNTMBBDKLSH-LBPRGKRZSA-N 1 1 339.396 1.042 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000439586366 305200305 /nfs/dbraw/zinc/20/03/05/305200305.db2.gz IBDDUGZSUDDSPY-CQSZACIVSA-N 1 1 346.387 1.537 20 5 EDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000441116530 305217639 /nfs/dbraw/zinc/21/76/39/305217639.db2.gz CKDOXARVHAUULO-CHWSQXEVSA-N 1 1 348.403 1.783 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000441116530 305217640 /nfs/dbraw/zinc/21/76/40/305217640.db2.gz CKDOXARVHAUULO-CHWSQXEVSA-N 1 1 348.403 1.783 20 5 EDBDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC12COC2 ZINC000451144130 305332579 /nfs/dbraw/zinc/33/25/79/305332579.db2.gz XQLDFSSQMBFGSK-AWEZNQCLSA-N 1 1 334.372 1.915 20 5 EDBDMO CC[C@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451247748 305335274 /nfs/dbraw/zinc/33/52/74/305335274.db2.gz ACOCZMKBUSPKQO-ZFWWWQNUSA-N 1 1 333.388 1.577 20 5 EDBDMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547622 305352623 /nfs/dbraw/zinc/35/26/23/305352623.db2.gz LFZHFLCZUZRKSO-AAEUAGOBSA-N 1 1 334.376 1.618 20 5 EDBDMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547622 305352624 /nfs/dbraw/zinc/35/26/24/305352624.db2.gz LFZHFLCZUZRKSO-AAEUAGOBSA-N 1 1 334.376 1.618 20 5 EDBDMO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000452008094 305377856 /nfs/dbraw/zinc/37/78/56/305377856.db2.gz IAJLIOBCNYNGCV-CYBMUJFWSA-N 1 1 336.392 1.839 20 5 EDBDMO COc1cc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000452008094 305377857 /nfs/dbraw/zinc/37/78/57/305377857.db2.gz IAJLIOBCNYNGCV-CYBMUJFWSA-N 1 1 336.392 1.839 20 5 EDBDMO COc1c(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000452348774 305391022 /nfs/dbraw/zinc/39/10/22/305391022.db2.gz ANZJGVXROGITQY-LBPRGKRZSA-N 1 1 337.376 1.180 20 5 EDBDMO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000452362338 305392711 /nfs/dbraw/zinc/39/27/11/305392711.db2.gz KTOBFCBXVVQEIP-LLVKDONJSA-N 1 1 339.396 1.018 20 5 EDBDMO CC(C)(C(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000452389007 305397112 /nfs/dbraw/zinc/39/71/12/305397112.db2.gz KWUIMMVUQPWMPJ-INIZCTEOSA-N 1 1 349.431 1.835 20 5 EDBDMO CNc1nc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454282346 305422081 /nfs/dbraw/zinc/42/20/81/305422081.db2.gz VWDRPUQVRFTDCW-LBPRGKRZSA-N 1 1 333.348 1.657 20 5 EDBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492885401 305606629 /nfs/dbraw/zinc/60/66/29/305606629.db2.gz ZHLLHVSNYKMWSU-SAABFPIUSA-N 1 1 345.399 1.930 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000554522764 306194428 /nfs/dbraw/zinc/19/44/28/306194428.db2.gz DMPMZLQUDOBMGM-QWHCGFSZSA-N 1 1 336.392 1.191 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](CO)[C@@H](O)C3)o2)c1 ZINC000554742187 306197394 /nfs/dbraw/zinc/19/73/94/306197394.db2.gz ULINFNQOVSSJEH-ZFWWWQNUSA-N 1 1 347.371 1.467 20 5 EDBDMO CN(C)c1nccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000425984210 447371959 /nfs/dbraw/zinc/37/19/59/447371959.db2.gz ZLXZZGXUFLHYHU-UHFFFAOYSA-N 1 1 331.380 1.484 20 5 EDBDMO Cc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000414963982 447376848 /nfs/dbraw/zinc/37/68/48/447376848.db2.gz BOMOFFFUKNUCTC-CQSZACIVSA-N 1 1 346.353 1.829 20 5 EDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000456378464 447380581 /nfs/dbraw/zinc/38/05/81/447380581.db2.gz MJHMIMGCGVZYCC-GFCCVEGCSA-N 1 1 335.360 1.880 20 5 EDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000456378464 447380583 /nfs/dbraw/zinc/38/05/83/447380583.db2.gz MJHMIMGCGVZYCC-GFCCVEGCSA-N 1 1 335.360 1.880 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1CCO ZINC000070950331 441128912 /nfs/dbraw/zinc/12/89/12/441128912.db2.gz AZPRXSJCVFCXMO-LBPRGKRZSA-N 1 1 337.376 1.779 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1CCO ZINC000070950331 441128915 /nfs/dbraw/zinc/12/89/15/441128915.db2.gz AZPRXSJCVFCXMO-LBPRGKRZSA-N 1 1 337.376 1.779 20 5 EDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000047144651 441159233 /nfs/dbraw/zinc/15/92/33/441159233.db2.gz ULPHGEAPCNOGPC-ZDUSSCGKSA-N 1 1 348.403 1.315 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000047148052 441160549 /nfs/dbraw/zinc/16/05/49/441160549.db2.gz MRWBTLDDIDSFDG-CYBMUJFWSA-N 1 1 348.403 1.173 20 5 EDBDMO C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000105090241 441232678 /nfs/dbraw/zinc/23/26/78/441232678.db2.gz YEDDITJXERFTMG-GFCCVEGCSA-N 1 1 335.408 1.789 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[N@H+](C2CC2)CC1 ZINC000061603883 441280317 /nfs/dbraw/zinc/28/03/17/441280317.db2.gz DHQDGQHSDNNOLR-UHFFFAOYSA-N 1 1 337.351 1.809 20 5 EDBDMO Cc1cc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000081764976 441310910 /nfs/dbraw/zinc/31/09/10/441310910.db2.gz DRMLFYZEHDXXIF-CYBMUJFWSA-N 1 1 349.435 1.099 20 5 EDBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000073842217 441359685 /nfs/dbraw/zinc/35/96/85/441359685.db2.gz FFWTXKZOVOLDQU-GFCCVEGCSA-N 1 1 339.417 1.666 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000064305647 441370741 /nfs/dbraw/zinc/37/07/41/441370741.db2.gz XEEPVOHWICFPLT-UHFFFAOYSA-N 1 1 332.360 1.230 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000109067206 441487644 /nfs/dbraw/zinc/48/76/44/441487644.db2.gz FLWOHPDAUPFTDE-DTORHVGOSA-N 1 1 347.824 1.928 20 5 EDBDMO O=C1[C@H](N2CC[NH+](C3CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131355 441489491 /nfs/dbraw/zinc/48/94/91/441489491.db2.gz VDRCOGXYNNIWKH-MRXNPFEDSA-N 1 1 330.388 1.480 20 5 EDBDMO Cc1cc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000109308067 441494219 /nfs/dbraw/zinc/49/42/19/441494219.db2.gz NDHYAIXNYOLPBT-UHFFFAOYSA-N 1 1 348.403 1.186 20 5 EDBDMO Cc1cc(N2CCC[C@H](CN3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000074747436 441462792 /nfs/dbraw/zinc/46/27/92/441462792.db2.gz QEHZETPXULCLKP-OAHLLOKOSA-N 1 1 333.436 1.762 20 5 EDBDMO CC[N@@H+](CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(C)C ZINC000112928362 441571405 /nfs/dbraw/zinc/57/14/05/441571405.db2.gz VNVCRKJZQUYSFY-UHFFFAOYSA-N 1 1 346.391 1.636 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000067274276 441623084 /nfs/dbraw/zinc/62/30/84/441623084.db2.gz RNNNYDDSOUQOLV-UHFFFAOYSA-N 1 1 325.365 1.058 20 5 EDBDMO CC[N@@H+](C)CCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000091461645 441703574 /nfs/dbraw/zinc/70/35/74/441703574.db2.gz URJGDFUFTFBFMB-UHFFFAOYSA-N 1 1 336.392 1.431 20 5 EDBDMO Cc1c(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000041669665 441668638 /nfs/dbraw/zinc/66/86/38/441668638.db2.gz ATIJDZNYURERBA-LBPRGKRZSA-N 1 1 348.403 1.690 20 5 EDBDMO C[NH+]1CCC(N(Cc2ccccc2F)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000068113790 441735223 /nfs/dbraw/zinc/73/52/23/441735223.db2.gz ODUCXBOVMWAHJC-GDBMZVCRSA-N 1 1 335.379 1.914 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC[C@H](C)O ZINC000173571026 441795205 /nfs/dbraw/zinc/79/52/05/441795205.db2.gz SHLSFCPYDBEBJU-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO CNC(=O)c1ccc(NC[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000077995486 441894121 /nfs/dbraw/zinc/89/41/21/441894121.db2.gz FWDFDZDNMAKGTK-GFCCVEGCSA-N 1 1 336.392 1.335 20 5 EDBDMO C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC000150974061 441984555 /nfs/dbraw/zinc/98/45/55/441984555.db2.gz KEIQQFSFDMMSMN-STQMWFEESA-N 1 1 338.412 1.211 20 5 EDBDMO C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCCn1cc([N+](=O)[O-])cn1)C2 ZINC000151150007 442015623 /nfs/dbraw/zinc/01/56/23/442015623.db2.gz BMGMCAZVSYDDOP-YHWZYXNKSA-N 1 1 336.396 1.106 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000175269863 442030537 /nfs/dbraw/zinc/03/05/37/442030537.db2.gz REWCTTMPCDMRIW-ZDUSSCGKSA-N 1 1 348.403 1.819 20 5 EDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000175359916 442048374 /nfs/dbraw/zinc/04/83/74/442048374.db2.gz YCXJLDOVRBEXIA-UHFFFAOYSA-N 1 1 329.422 1.913 20 5 EDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1 ZINC000120859700 442143404 /nfs/dbraw/zinc/14/34/04/442143404.db2.gz KOJVPRPWYBHUJB-OAHLLOKOSA-N 1 1 339.417 1.293 20 5 EDBDMO CN(C(=O)C[N@@H+]1CCC[C@H](CCC(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000170735136 442253680 /nfs/dbraw/zinc/25/36/80/442253680.db2.gz BZDWQUDOQJSHPQ-CYBMUJFWSA-N 1 1 348.403 1.535 20 5 EDBDMO CN(C(=O)C[N@H+]1CCC[C@H](CCC(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000170735136 442253682 /nfs/dbraw/zinc/25/36/82/442253682.db2.gz BZDWQUDOQJSHPQ-CYBMUJFWSA-N 1 1 348.403 1.535 20 5 EDBDMO CCC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000128274615 442256618 /nfs/dbraw/zinc/25/66/18/442256618.db2.gz NIZFUJYBLQIHPC-UHFFFAOYSA-N 1 1 333.435 1.763 20 5 EDBDMO CCC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000128274615 442256622 /nfs/dbraw/zinc/25/66/22/442256622.db2.gz NIZFUJYBLQIHPC-UHFFFAOYSA-N 1 1 333.435 1.763 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000179120695 442577208 /nfs/dbraw/zinc/57/72/08/442577208.db2.gz DCPDBBKAXUYLTR-ZDUSSCGKSA-N 1 1 347.371 1.511 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000179120695 442577213 /nfs/dbraw/zinc/57/72/13/442577213.db2.gz DCPDBBKAXUYLTR-ZDUSSCGKSA-N 1 1 347.371 1.511 20 5 EDBDMO CC(C)C(=O)NCC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000157520550 442590733 /nfs/dbraw/zinc/59/07/33/442590733.db2.gz HUJXZFRYWWOSQU-AWEZNQCLSA-N 1 1 339.392 1.039 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000186753587 442606007 /nfs/dbraw/zinc/60/60/07/442606007.db2.gz HLCAHGDQIHHUOA-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO CCOCCO[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000157717070 442605984 /nfs/dbraw/zinc/60/59/84/442605984.db2.gz NTKAOSHJQXDQKZ-AWEZNQCLSA-N 1 1 337.376 1.321 20 5 EDBDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000157717070 442605990 /nfs/dbraw/zinc/60/59/90/442605990.db2.gz NTKAOSHJQXDQKZ-AWEZNQCLSA-N 1 1 337.376 1.321 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCN(C2CC2)CC1 ZINC000181643669 442707964 /nfs/dbraw/zinc/70/79/64/442707964.db2.gz ZSTFCKIYQWNIIK-HNNXBMFYSA-N 1 1 335.404 1.505 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCN(C2CC2)CC1 ZINC000181643669 442707967 /nfs/dbraw/zinc/70/79/67/442707967.db2.gz ZSTFCKIYQWNIIK-HNNXBMFYSA-N 1 1 335.404 1.505 20 5 EDBDMO C[N@@H+](CC(=O)NC(C)(C)C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181533381 442702151 /nfs/dbraw/zinc/70/21/51/442702151.db2.gz LXIYAROZTORYPJ-LBPRGKRZSA-N 1 1 339.392 1.181 20 5 EDBDMO C[N@H+](CC(=O)NC(C)(C)C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181533381 442702153 /nfs/dbraw/zinc/70/21/53/442702153.db2.gz LXIYAROZTORYPJ-LBPRGKRZSA-N 1 1 339.392 1.181 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[N@H+](C2CC2)CC1 ZINC000181643669 442707962 /nfs/dbraw/zinc/70/79/62/442707962.db2.gz ZSTFCKIYQWNIIK-HNNXBMFYSA-N 1 1 335.404 1.505 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000193273663 442728667 /nfs/dbraw/zinc/72/86/67/442728667.db2.gz ZDHHOCKCKATIKT-VXGBXAGGSA-N 1 1 327.406 1.583 20 5 EDBDMO C[N@@H+](CCc1ccncc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182329971 442757602 /nfs/dbraw/zinc/75/76/02/442757602.db2.gz YEFVMYRXXBPGQG-HNNXBMFYSA-N 1 1 331.372 1.904 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]2C1 ZINC000193612858 442759411 /nfs/dbraw/zinc/75/94/11/442759411.db2.gz IPQHUAYPYZBEQC-BETUJISGSA-N 1 1 329.360 1.638 20 5 EDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188907854 442840708 /nfs/dbraw/zinc/84/07/08/442840708.db2.gz QOXYSWJYZZGXGU-LBPRGKRZSA-N 1 1 334.376 1.334 20 5 EDBDMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000268127472 442859981 /nfs/dbraw/zinc/85/99/81/442859981.db2.gz HLKKWMDPNHEVHX-IINYFYTJSA-N 1 1 339.417 1.893 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000268127472 442859986 /nfs/dbraw/zinc/85/99/86/442859986.db2.gz HLKKWMDPNHEVHX-IINYFYTJSA-N 1 1 339.417 1.893 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268158784 442876117 /nfs/dbraw/zinc/87/61/17/442876117.db2.gz IVDFTSCRIYJCQV-SMDDNHRTSA-N 1 1 346.387 1.441 20 5 EDBDMO CCOCCCN1CC[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000248867781 442931471 /nfs/dbraw/zinc/93/14/71/442931471.db2.gz BERKYWPQCBIBEM-GJZGRUSLSA-N 1 1 339.440 1.518 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](COC)C2)c([N+](=O)[O-])c1 ZINC000265837522 442940112 /nfs/dbraw/zinc/94/01/12/442940112.db2.gz VQRKEJKGJBQUJZ-GFCCVEGCSA-N 1 1 337.376 1.900 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](COC)C2)c([N+](=O)[O-])c1 ZINC000265837522 442940113 /nfs/dbraw/zinc/94/01/13/442940113.db2.gz VQRKEJKGJBQUJZ-GFCCVEGCSA-N 1 1 337.376 1.900 20 5 EDBDMO C[C@@H](O)C[NH+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000189398243 442940913 /nfs/dbraw/zinc/94/09/13/442940913.db2.gz NGTXOPTXSQKANQ-GFCCVEGCSA-N 1 1 347.375 1.143 20 5 EDBDMO Cc1ccc(NCCCNC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000265857609 442947608 /nfs/dbraw/zinc/94/76/08/442947608.db2.gz SHHCYBLRIWDLSE-UHFFFAOYSA-N 1 1 335.408 1.662 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000189421338 442948381 /nfs/dbraw/zinc/94/83/81/442948381.db2.gz AAFQRPCFJWTTEL-AWEZNQCLSA-N 1 1 337.420 1.751 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184581575 443043462 /nfs/dbraw/zinc/04/34/62/443043462.db2.gz VINSXPHPRKYJJL-UHFFFAOYSA-N 1 1 344.799 1.626 20 5 EDBDMO CCOC(=O)c1ccnc(NCC[N@@H+](C)CCCOC)c1[N+](=O)[O-] ZINC000266213836 443060421 /nfs/dbraw/zinc/06/04/21/443060421.db2.gz GTTKYSDKXKECJD-UHFFFAOYSA-N 1 1 340.380 1.547 20 5 EDBDMO COc1cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc([N+](=O)[O-])c1C ZINC000190515538 443124878 /nfs/dbraw/zinc/12/48/78/443124878.db2.gz FHGWNWBYTBJGRM-NSHDSACASA-N 1 1 337.376 1.050 20 5 EDBDMO C[C@@H](O)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CO ZINC000190846085 443194002 /nfs/dbraw/zinc/19/40/02/443194002.db2.gz XSDOCKYKEQWRJM-VHSXEESVSA-N 1 1 345.783 1.250 20 5 EDBDMO C[C@@H](O)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CO ZINC000190846085 443194004 /nfs/dbraw/zinc/19/40/04/443194004.db2.gz XSDOCKYKEQWRJM-VHSXEESVSA-N 1 1 345.783 1.250 20 5 EDBDMO O=C(CC[N@H+]1CCO[C@@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000185152931 443149041 /nfs/dbraw/zinc/14/90/41/443149041.db2.gz QYCHGKZSYOLHKK-INIZCTEOSA-N 1 1 335.360 1.415 20 5 EDBDMO CCC[N@H+](C)Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000350980280 319084814 /nfs/dbraw/zinc/08/48/14/319084814.db2.gz DHOACMFJERVBOM-UHFFFAOYSA-N 1 1 347.375 1.679 20 5 EDBDMO CCC[N@@H+](C)Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000350980280 319084816 /nfs/dbraw/zinc/08/48/16/319084816.db2.gz DHOACMFJERVBOM-UHFFFAOYSA-N 1 1 347.375 1.679 20 5 EDBDMO C[C@H](O)C[N@@H+](C)C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000357612989 319112306 /nfs/dbraw/zinc/11/23/06/319112306.db2.gz MOEHNLVEMDYZMH-JTQLQIEISA-N 1 1 339.421 1.585 20 5 EDBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000412829732 319243717 /nfs/dbraw/zinc/24/37/17/319243717.db2.gz ACXCBAYIDHQWLP-NEPJUHHUSA-N 1 1 338.412 1.038 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000414655753 319336672 /nfs/dbraw/zinc/33/66/72/319336672.db2.gz HIXJDAONBUWQFA-UHFFFAOYSA-N 1 1 347.419 1.933 20 5 EDBDMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000191267379 443268755 /nfs/dbraw/zinc/26/87/55/443268755.db2.gz UMODUVYUHUTCRP-VXGBXAGGSA-N 1 1 333.388 1.718 20 5 EDBDMO CCc1cnc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000267007445 443312106 /nfs/dbraw/zinc/31/21/06/443312106.db2.gz GGRZQVDHNRGGSB-NSHDSACASA-N 1 1 325.394 1.303 20 5 EDBDMO CCc1cnc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000267007445 443312107 /nfs/dbraw/zinc/31/21/07/443312107.db2.gz GGRZQVDHNRGGSB-NSHDSACASA-N 1 1 325.394 1.303 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264544004 443319882 /nfs/dbraw/zinc/31/98/82/443319882.db2.gz ODKDCTOYKWWMPA-RZIFZGNASA-N 1 1 346.387 1.064 20 5 EDBDMO CNC(=O)C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272470987 443329969 /nfs/dbraw/zinc/32/99/69/443329969.db2.gz RRIUPNWDYMKGSB-UHFFFAOYSA-N 1 1 333.291 1.083 20 5 EDBDMO COCC[N@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000264571353 443331803 /nfs/dbraw/zinc/33/18/03/443331803.db2.gz HPXUHZMJLFFGKZ-GFCCVEGCSA-N 1 1 334.376 1.612 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000272630068 443388818 /nfs/dbraw/zinc/38/88/18/443388818.db2.gz NCCONWZDFZFQQK-HZMBPMFUSA-N 1 1 329.360 1.637 20 5 EDBDMO C[N@@H+]1CC[C@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000272630068 443388824 /nfs/dbraw/zinc/38/88/24/443388824.db2.gz NCCONWZDFZFQQK-HZMBPMFUSA-N 1 1 329.360 1.637 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000272630068 443388829 /nfs/dbraw/zinc/38/88/29/443388829.db2.gz NCCONWZDFZFQQK-HZMBPMFUSA-N 1 1 329.360 1.637 20 5 EDBDMO Cn1cc(N2CC[C@H]([N@H+](C)CCc3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000282526717 443364459 /nfs/dbraw/zinc/36/44/59/443364459.db2.gz UPFRIYZQYMDIFW-INIZCTEOSA-N 1 1 343.387 1.608 20 5 EDBDMO Cn1cc(N2CC[C@H]([N@@H+](C)CCc3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000282526717 443364465 /nfs/dbraw/zinc/36/44/65/443364465.db2.gz UPFRIYZQYMDIFW-INIZCTEOSA-N 1 1 343.387 1.608 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272582581 443371556 /nfs/dbraw/zinc/37/15/56/443371556.db2.gz GXBKKCBWNBGZFJ-DZGCQCFKSA-N 1 1 333.388 1.916 20 5 EDBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000278785284 443438083 /nfs/dbraw/zinc/43/80/83/443438083.db2.gz WBXYMRJNMOTBQT-HZPDHXFCSA-N 1 1 338.404 1.749 20 5 EDBDMO CC[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000267296313 443409026 /nfs/dbraw/zinc/40/90/26/443409026.db2.gz DRKDVGHWRCISCQ-HZPDHXFCSA-N 1 1 349.435 1.591 20 5 EDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000267451845 443461891 /nfs/dbraw/zinc/46/18/91/443461891.db2.gz YXFXVWHQDTZAGF-NSHDSACASA-N 1 1 341.795 1.777 20 5 EDBDMO COC(=O)[C@H](C)C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273039339 443525931 /nfs/dbraw/zinc/52/59/31/443525931.db2.gz OPYOSVOBYHDQOA-NEPJUHHUSA-N 1 1 326.349 1.075 20 5 EDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000273044488 443527511 /nfs/dbraw/zinc/52/75/11/443527511.db2.gz PRLNZFFSTKYLHI-NVXWUHKLSA-N 1 1 346.383 2.000 20 5 EDBDMO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283137359 443536539 /nfs/dbraw/zinc/53/65/39/443536539.db2.gz NVGJRCVVPMVKBK-GFCCVEGCSA-N 1 1 345.396 1.495 20 5 EDBDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283137359 443536541 /nfs/dbraw/zinc/53/65/41/443536541.db2.gz NVGJRCVVPMVKBK-GFCCVEGCSA-N 1 1 345.396 1.495 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000283137185 443536565 /nfs/dbraw/zinc/53/65/65/443536565.db2.gz NSMTUJYTBGWZQB-LBPRGKRZSA-N 1 1 339.367 1.803 20 5 EDBDMO Cc1ccc(NC(=O)N2CCC([N@@H+](C)CCO)CC2)cc1[N+](=O)[O-] ZINC000272322651 443591812 /nfs/dbraw/zinc/59/18/12/443591812.db2.gz IUTOMGMKYMUZNR-UHFFFAOYSA-N 1 1 336.392 1.824 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272316837 443590113 /nfs/dbraw/zinc/59/01/13/443590113.db2.gz JZGAOBOMLGRJOQ-DOMZBBRYSA-N 1 1 346.387 1.394 20 5 EDBDMO COCC[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1C ZINC000265271101 443590250 /nfs/dbraw/zinc/59/02/50/443590250.db2.gz GUIGQCDULIZGSI-GFCCVEGCSA-N 1 1 346.387 1.869 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1C ZINC000265271101 443590253 /nfs/dbraw/zinc/59/02/53/443590253.db2.gz GUIGQCDULIZGSI-GFCCVEGCSA-N 1 1 346.387 1.869 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000286077645 443640894 /nfs/dbraw/zinc/64/08/94/443640894.db2.gz CPROXOOUEOQRDZ-AAEUAGOBSA-N 1 1 334.376 1.697 20 5 EDBDMO C[N@@H+](CCO)C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000272331989 443594139 /nfs/dbraw/zinc/59/41/39/443594139.db2.gz LPZXDBWBGMFHNO-UHFFFAOYSA-N 1 1 341.795 1.777 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272336398 443595102 /nfs/dbraw/zinc/59/51/02/443595102.db2.gz NPUTWDFIQXWANW-JOYOIKCWSA-N 1 1 333.344 1.536 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272336397 443595536 /nfs/dbraw/zinc/59/55/36/443595536.db2.gz NPUTWDFIQXWANW-CABZTGNLSA-N 1 1 333.344 1.536 20 5 EDBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286155132 443657447 /nfs/dbraw/zinc/65/74/47/443657447.db2.gz WBKNYGLAXMSVRJ-KBRIMQKVSA-N 1 1 335.404 1.423 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448974966 320168220 /nfs/dbraw/zinc/16/82/20/320168220.db2.gz FCPWEGFHAFLAGX-CYBMUJFWSA-N 1 1 329.360 1.605 20 5 EDBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1C[NH+](C(C)C)C1 ZINC000457722504 320333448 /nfs/dbraw/zinc/33/34/48/320333448.db2.gz OCYNWUUUYWUAJL-LBPRGKRZSA-N 1 1 338.412 1.036 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493160846 320393644 /nfs/dbraw/zinc/39/36/44/320393644.db2.gz QWUQAUUEGYDYEC-HJWRWDBZSA-N 1 1 334.420 1.608 20 5 EDBDMO CN(CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000493160846 320393645 /nfs/dbraw/zinc/39/36/45/320393645.db2.gz QWUQAUUEGYDYEC-HJWRWDBZSA-N 1 1 334.420 1.608 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)n1 ZINC000286353662 443696768 /nfs/dbraw/zinc/69/67/68/443696768.db2.gz LOLZGMXJIQZFAP-AGUYFDCRSA-N 1 1 347.419 1.794 20 5 EDBDMO CCN1CC[NH+](CCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000298453929 443772220 /nfs/dbraw/zinc/77/22/20/443772220.db2.gz HTOLXJONYDJPNF-CMDGGOBGSA-N 1 1 346.431 1.752 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000281391977 443898754 /nfs/dbraw/zinc/89/87/54/443898754.db2.gz NACKQMGTKVNBGX-XHSDSOJGSA-N 1 1 335.404 1.772 20 5 EDBDMO C[N@H+]1CCN(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000281553233 443942293 /nfs/dbraw/zinc/94/22/93/443942293.db2.gz CGUUYGUUKDGNKK-UHFFFAOYSA-N 1 1 337.380 1.941 20 5 EDBDMO COC[C@H](C)OC[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285412811 443975462 /nfs/dbraw/zinc/97/54/62/443975462.db2.gz UYUADMOIIAECAI-ZFWWWQNUSA-N 1 1 326.393 1.482 20 5 EDBDMO O=c1nc([C@@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)[nH][nH]1 ZINC000288801940 443986869 /nfs/dbraw/zinc/98/68/69/443986869.db2.gz CZVWMBSKHAEOAJ-GFCCVEGCSA-N 1 1 347.375 1.655 20 5 EDBDMO Cc1n[nH]c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299436719 444045884 /nfs/dbraw/zinc/04/58/84/444045884.db2.gz HRCHHJOPWSMXNI-UWVGGRQHSA-N 1 1 339.396 1.244 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000293475389 444028296 /nfs/dbraw/zinc/02/82/96/444028296.db2.gz QUQSEBVCMVDIIM-UHFFFAOYSA-N 1 1 337.424 1.133 20 5 EDBDMO CN(CCCN(C)C(=O)c1c(N)cccc1[N+](=O)[O-])CC[NH+](C)C ZINC000293475389 444028299 /nfs/dbraw/zinc/02/82/99/444028299.db2.gz QUQSEBVCMVDIIM-UHFFFAOYSA-N 1 1 337.424 1.133 20 5 EDBDMO CN(C[C@H](O)C[NH+]1CCN(C)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302696232 444220405 /nfs/dbraw/zinc/22/04/05/444220405.db2.gz WLSIBAPJGIWONF-ZDUSSCGKSA-N 1 1 342.827 1.293 20 5 EDBDMO C[C@@H]1C[N@H+](CCCCNc2ccc3ncc([N+](=O)[O-])n3n2)C[C@H](C)O1 ZINC000301973353 444198956 /nfs/dbraw/zinc/19/89/56/444198956.db2.gz UVKVQTYQQKRCAA-BETUJISGSA-N 1 1 348.407 1.939 20 5 EDBDMO COc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304331548 444247415 /nfs/dbraw/zinc/24/74/15/444247415.db2.gz 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C[N@H+]1C[C@@H]2CCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000425058708 447006910 /nfs/dbraw/zinc/00/69/10/447006910.db2.gz PEGGLXCIJSDGEC-IINYFYTJSA-N 1 1 329.360 1.637 20 5 EDBDMO CC(C)(O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000368725145 447068029 /nfs/dbraw/zinc/06/80/29/447068029.db2.gz RQSBFMOUTXWESH-UHFFFAOYSA-N 1 1 338.364 1.786 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c2c(c1)COCO2 ZINC000425346675 447123675 /nfs/dbraw/zinc/12/36/75/447123675.db2.gz GHSQEBCOZGOFRG-AWEZNQCLSA-N 1 1 345.359 1.890 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c2c(c1)COCO2 ZINC000425346675 447123685 /nfs/dbraw/zinc/12/36/85/447123685.db2.gz GHSQEBCOZGOFRG-AWEZNQCLSA-N 1 1 345.359 1.890 20 5 EDBDMO C[C@@H]1C[C@H]1C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421395536 447149513 /nfs/dbraw/zinc/14/95/13/447149513.db2.gz YUBPCZRLXTXWDF-NEPJUHHUSA-N 1 1 327.406 1.461 20 5 EDBDMO CN(C)c1[nH+]cc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)n1C ZINC000425367117 447128239 /nfs/dbraw/zinc/12/82/39/447128239.db2.gz HFMHOUFILKREJL-UHFFFAOYSA-N 1 1 345.407 1.112 20 5 EDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421704735 447225310 /nfs/dbraw/zinc/22/53/10/447225310.db2.gz PPLBXPDLYZBHOR-HNNXBMFYSA-N 1 1 348.403 1.267 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)CCO1 ZINC000372705362 447234373 /nfs/dbraw/zinc/23/43/73/447234373.db2.gz UHVBMLVGALTNOB-GFCCVEGCSA-N 1 1 348.403 1.502 20 5 EDBDMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372714956 447240861 /nfs/dbraw/zinc/24/08/61/447240861.db2.gz MCXUTLZLVXIJNJ-CHWSQXEVSA-N 1 1 335.408 1.694 20 5 EDBDMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372714956 447240868 /nfs/dbraw/zinc/24/08/68/447240868.db2.gz MCXUTLZLVXIJNJ-CHWSQXEVSA-N 1 1 335.408 1.694 20 5 EDBDMO O=C1NC[C@H]2C[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]12 ZINC000377650493 447272249 /nfs/dbraw/zinc/27/22/49/447272249.db2.gz JEIWTIVBCDXZEL-WFASDCNBSA-N 1 1 342.355 1.818 20 5 EDBDMO O=C1NC[C@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]12 ZINC000377650493 447272254 /nfs/dbraw/zinc/27/22/54/447272254.db2.gz JEIWTIVBCDXZEL-WFASDCNBSA-N 1 1 342.355 1.818 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450324073 447455303 /nfs/dbraw/zinc/45/53/03/447455303.db2.gz MGUOJOYYAHBCRE-OAHLLOKOSA-N 1 1 343.387 1.895 20 5 EDBDMO C[C@@](O)(CNc1nccc2c1cccc2[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000450356361 447465842 /nfs/dbraw/zinc/46/58/42/447465842.db2.gz VRFGLAIVRLXQFL-QGZVFWFLSA-N 1 1 346.387 1.638 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c1 ZINC000426825720 447505378 /nfs/dbraw/zinc/50/53/78/447505378.db2.gz RFWACXFBHXTIRD-NVXWUHKLSA-N 1 1 346.387 1.096 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOC[C@H]2Cc2ccccc2)c1 ZINC000426825720 447505386 /nfs/dbraw/zinc/50/53/86/447505386.db2.gz RFWACXFBHXTIRD-NVXWUHKLSA-N 1 1 346.387 1.096 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426941989 447519967 /nfs/dbraw/zinc/51/99/67/447519967.db2.gz GZZSWVQPVWATRR-ZDUSSCGKSA-N 1 1 337.376 1.444 20 5 EDBDMO O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450598534 447534384 /nfs/dbraw/zinc/53/43/84/447534384.db2.gz RASCIFVXYYIKOS-CYBMUJFWSA-N 1 1 330.388 1.824 20 5 EDBDMO C[C@H]1C[N@H+](CCO)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000450951575 447631344 /nfs/dbraw/zinc/63/13/44/447631344.db2.gz GIEVIBUDALXMKC-JTQLQIEISA-N 1 1 344.209 1.860 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000450951575 447631348 /nfs/dbraw/zinc/63/13/48/447631348.db2.gz GIEVIBUDALXMKC-JTQLQIEISA-N 1 1 344.209 1.860 20 5 EDBDMO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1nc(C[NH3+])no1 ZINC000575748396 447889514 /nfs/dbraw/zinc/88/95/14/447889514.db2.gz KKSCKDPCTNYSIK-ZETCQYMHSA-N 1 1 341.349 1.254 20 5 EDBDMO COc1ccc(CC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000530767264 447952735 /nfs/dbraw/zinc/95/27/35/447952735.db2.gz LTXZMILINYRVEB-YPMHNXCESA-N 1 1 333.388 1.887 20 5 EDBDMO CNc1nccc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000552997098 447966940 /nfs/dbraw/zinc/96/69/40/447966940.db2.gz WGRUAZLTJFDFAM-CYBMUJFWSA-N 1 1 349.435 2.273 20 5 EDBDMO CN1C[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCC1=O ZINC000576764890 448135105 /nfs/dbraw/zinc/13/51/05/448135105.db2.gz DJUOYTCWAJNYII-CQSZACIVSA-N 1 1 346.387 1.037 20 5 EDBDMO CN1C[C@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCC1=O ZINC000576764890 448135111 /nfs/dbraw/zinc/13/51/11/448135111.db2.gz DJUOYTCWAJNYII-CQSZACIVSA-N 1 1 346.387 1.037 20 5 EDBDMO COCC[NH2+]C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000576833117 448151957 /nfs/dbraw/zinc/15/19/57/448151957.db2.gz DQFTWCZQTZHMJQ-UHFFFAOYSA-N 1 1 347.375 1.312 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000532196865 448214750 /nfs/dbraw/zinc/21/47/50/448214750.db2.gz GONWLCQMUKWCTE-RYUDHWBXSA-N 1 1 340.405 1.095 20 5 EDBDMO CC(C)(CO)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591206008 448287988 /nfs/dbraw/zinc/28/79/88/448287988.db2.gz KTKIGJDBDRTOBR-JKSUJKDBSA-N 1 1 347.415 1.613 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000572723883 448449306 /nfs/dbraw/zinc/44/93/06/448449306.db2.gz PLDBKPZTKHIRPC-CZUORRHYSA-N 1 1 336.388 1.714 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000584406715 448514514 /nfs/dbraw/zinc/51/45/14/448514514.db2.gz BJKPXXPTBXENNU-AWEZNQCLSA-N 1 1 332.404 1.510 20 5 EDBDMO C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000518315175 448663914 /nfs/dbraw/zinc/66/39/14/448663914.db2.gz ZBISMLXHBWGVJP-CJNGLKHVSA-N 1 1 335.404 1.661 20 5 EDBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc([N+](=O)[O-])cn3)n1)OC2 ZINC000579289209 448759000 /nfs/dbraw/zinc/75/90/00/448759000.db2.gz GDTKYFRHUNAKBY-DOMZBBRYSA-N 1 1 331.332 1.966 20 5 EDBDMO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000519673834 448814142 /nfs/dbraw/zinc/81/41/42/448814142.db2.gz WUYIIUHRXBHTEI-UHFFFAOYSA-N 1 1 338.383 1.712 20 5 EDBDMO C[C@H]1CC[N@@H+](CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000545356591 448792438 /nfs/dbraw/zinc/79/24/38/448792438.db2.gz FWYRRZLMNWGLNT-LBPRGKRZSA-N 1 1 327.406 1.356 20 5 EDBDMO C[C@]1(CO)CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000545398710 448794391 /nfs/dbraw/zinc/79/43/91/448794391.db2.gz ZYKAMWVNVRHQDE-MRXNPFEDSA-N 1 1 335.360 1.740 20 5 EDBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588862546 448941124 /nfs/dbraw/zinc/94/11/24/448941124.db2.gz FIILNHYAZNZUCH-GXTWGEPZSA-N 1 1 339.779 1.529 20 5 EDBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588864044 448943619 /nfs/dbraw/zinc/94/36/19/448943619.db2.gz XVZOBXDDIYKVOA-CHWSQXEVSA-N 1 1 344.371 1.357 20 5 EDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000521919736 449027769 /nfs/dbraw/zinc/02/77/69/449027769.db2.gz DFOLDDNDEGUEIG-GFCCVEGCSA-N 1 1 334.376 1.394 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000521919736 449027774 /nfs/dbraw/zinc/02/77/74/449027774.db2.gz DFOLDDNDEGUEIG-GFCCVEGCSA-N 1 1 334.376 1.394 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1C ZINC000589930110 449084797 /nfs/dbraw/zinc/08/47/97/449084797.db2.gz SQQWYPVKRRKAPX-GXTWGEPZSA-N 1 1 339.417 1.536 20 5 EDBDMO O=C(C[NH+]1CCC(C2(O)CC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000593052269 449115758 /nfs/dbraw/zinc/11/57/58/449115758.db2.gz YHFWVJMNAKXTSU-UHFFFAOYSA-N 1 1 345.399 1.721 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(Cn4cnnc4)CC3)nc2c1 ZINC000593077603 449124900 /nfs/dbraw/zinc/12/49/00/449124900.db2.gz MUTADMMYMUSSKG-UHFFFAOYSA-N 1 1 341.375 1.975 20 5 EDBDMO Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000600030491 449154418 /nfs/dbraw/zinc/15/44/18/449154418.db2.gz DSUZSKGDDXSYGW-CYBMUJFWSA-N 1 1 348.403 1.690 20 5 EDBDMO CC[N@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000611091820 449166188 /nfs/dbraw/zinc/16/61/88/449166188.db2.gz UNFLBJIKGLWUPU-ZDUSSCGKSA-N 1 1 332.404 1.510 20 5 EDBDMO Cc1cc(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000590399075 449147046 /nfs/dbraw/zinc/14/70/46/449147046.db2.gz FMGCKZOEJYRSCT-UHFFFAOYSA-N 1 1 332.404 1.223 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000590398792 449147619 /nfs/dbraw/zinc/14/76/19/449147619.db2.gz ALQYRPYICSMIEH-CVEARBPZSA-N 1 1 349.387 1.295 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000604278187 449201127 /nfs/dbraw/zinc/20/11/27/449201127.db2.gz QKMMOKRPLKUQTR-JTQLQIEISA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000604278187 449201130 /nfs/dbraw/zinc/20/11/30/449201130.db2.gz QKMMOKRPLKUQTR-JTQLQIEISA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC000601879442 449202917 /nfs/dbraw/zinc/20/29/17/449202917.db2.gz IHVFRPQLTXWXQV-CQSZACIVSA-N 1 1 343.387 1.641 20 5 EDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000611195865 449211060 /nfs/dbraw/zinc/21/10/60/449211060.db2.gz AZLMBXVOPUFHTF-GFCCVEGCSA-N 1 1 346.387 1.917 20 5 EDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000611201647 449213807 /nfs/dbraw/zinc/21/38/07/449213807.db2.gz MOBDLZFZPAPYSD-GFCCVEGCSA-N 1 1 329.360 1.605 20 5 EDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000611207166 449215058 /nfs/dbraw/zinc/21/50/58/449215058.db2.gz LLIAYANMNBDJLW-MEBBXXQBSA-N 1 1 337.376 1.633 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000590563889 449192144 /nfs/dbraw/zinc/19/21/44/449192144.db2.gz VLDIYXFJLZCTNH-HZPDHXFCSA-N 1 1 348.403 1.328 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611273986 449245461 /nfs/dbraw/zinc/24/54/61/449245461.db2.gz SKILCNBMOUWJSZ-LBPRGKRZSA-N 1 1 336.344 1.894 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611273986 449245465 /nfs/dbraw/zinc/24/54/65/449245465.db2.gz SKILCNBMOUWJSZ-LBPRGKRZSA-N 1 1 336.344 1.894 20 5 EDBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227423 449255011 /nfs/dbraw/zinc/25/50/11/449255011.db2.gz BJDSXNAFKYBQDU-ZDUSSCGKSA-N 1 1 335.408 1.774 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611348610 449268874 /nfs/dbraw/zinc/26/88/74/449268874.db2.gz DCMMUCJFGXRAMJ-OAHLLOKOSA-N 1 1 348.403 1.248 20 5 EDBDMO COCCOCC[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000593518498 449322522 /nfs/dbraw/zinc/32/25/22/449322522.db2.gz POXNFLYICBUTJK-UHFFFAOYSA-N 1 1 338.408 1.392 20 5 EDBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000602117066 449358161 /nfs/dbraw/zinc/35/81/61/449358161.db2.gz OBTWXCRWTVJNGY-BJJXKVORSA-N 1 1 333.388 1.944 20 5 EDBDMO COC(=O)c1ccnc(NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000598585307 449477455 /nfs/dbraw/zinc/47/74/55/449477455.db2.gz ABVKMBKMSAMDRJ-GFCCVEGCSA-N 1 1 336.392 2.453 20 5 EDBDMO CC(C)[N@@H+](C)CCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598590814 449480384 /nfs/dbraw/zinc/48/03/84/449480384.db2.gz QLNOLYWFQFYAAU-UHFFFAOYSA-N 1 1 338.412 1.364 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392652 449489701 /nfs/dbraw/zinc/48/97/01/449489701.db2.gz JLMDDSRDTZGSKD-UONOGXRCSA-N 1 1 333.388 1.411 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594485098 449549753 /nfs/dbraw/zinc/54/97/53/449549753.db2.gz WGPDSTRMJMZZTP-LSDHHAIUSA-N 1 1 339.417 1.890 20 5 EDBDMO C[C@@H]1C[N@H+](CCNc2ncnc3cccc([N+](=O)[O-])c32)[C@H](C)CO1 ZINC000596431541 449499368 /nfs/dbraw/zinc/49/93/68/449499368.db2.gz OXJYFDNBCGTGOM-VXGBXAGGSA-N 1 1 331.376 2.059 20 5 EDBDMO C[C@@H]1C[N@@H+](CCNc2ncnc3cccc([N+](=O)[O-])c32)[C@H](C)CO1 ZINC000596431541 449499370 /nfs/dbraw/zinc/49/93/70/449499370.db2.gz OXJYFDNBCGTGOM-VXGBXAGGSA-N 1 1 331.376 2.059 20 5 EDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000600806753 449555493 /nfs/dbraw/zinc/55/54/93/449555493.db2.gz FOMGGQURDSKBQI-JTQLQIEISA-N 1 1 325.390 1.113 20 5 EDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601041229 449670641 /nfs/dbraw/zinc/67/06/41/449670641.db2.gz WFSFDQIDNLGUEU-LLVKDONJSA-N 1 1 325.340 1.575 20 5 EDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[N@@H+]1CCCOCC1 ZINC000601154058 449720446 /nfs/dbraw/zinc/72/04/46/449720446.db2.gz XPQFGVNALBYMJZ-UHFFFAOYSA-N 1 1 337.302 1.481 20 5 EDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[N@H+]1CCCOCC1 ZINC000601154058 449720447 /nfs/dbraw/zinc/72/04/47/449720447.db2.gz XPQFGVNALBYMJZ-UHFFFAOYSA-N 1 1 337.302 1.481 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000599085958 449724034 /nfs/dbraw/zinc/72/40/34/449724034.db2.gz GHYNLMKBXIJPHC-LLVKDONJSA-N 1 1 342.421 1.044 20 5 EDBDMO Cc1c([C@@H](C)[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000599086457 449724412 /nfs/dbraw/zinc/72/44/12/449724412.db2.gz NTOSJNAATUDDMO-LLVKDONJSA-N 1 1 342.421 1.044 20 5 EDBDMO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602658735 449735584 /nfs/dbraw/zinc/73/55/84/449735584.db2.gz XCFHYLCUKMRJBF-OAHLLOKOSA-N 1 1 340.380 1.120 20 5 EDBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602658735 449735590 /nfs/dbraw/zinc/73/55/90/449735590.db2.gz XCFHYLCUKMRJBF-OAHLLOKOSA-N 1 1 340.380 1.120 20 5 EDBDMO C[NH+]1CCN(CC2CN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000599109277 449742843 /nfs/dbraw/zinc/74/28/43/449742843.db2.gz RHQAUYKEIFBWAN-UHFFFAOYSA-N 1 1 341.415 1.827 20 5 EDBDMO CN(CC1C[NH+](C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594847634 449755483 /nfs/dbraw/zinc/75/54/83/449755483.db2.gz SJCCLBMTPVANOS-UHFFFAOYSA-N 1 1 333.797 1.430 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000602791943 449812732 /nfs/dbraw/zinc/81/27/32/449812732.db2.gz KHXVSPBRPJNCPB-HNNXBMFYSA-N 1 1 343.387 1.837 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000602791943 449812735 /nfs/dbraw/zinc/81/27/35/449812735.db2.gz KHXVSPBRPJNCPB-HNNXBMFYSA-N 1 1 343.387 1.837 20 5 EDBDMO Cc1cnc(N2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)s1 ZINC000602796341 449816752 /nfs/dbraw/zinc/81/67/52/449816752.db2.gz XRDMNDSQVDMWFR-UHFFFAOYSA-N 1 1 336.421 1.687 20 5 EDBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000601272529 449791269 /nfs/dbraw/zinc/79/12/69/449791269.db2.gz KNSZZWSOKBLDBX-UHFFFAOYSA-N 1 1 337.351 1.671 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])s1 ZINC000601370369 449884967 /nfs/dbraw/zinc/88/49/67/449884967.db2.gz XTZDJXDBCIOFGG-KCJUWKMLSA-N 1 1 345.446 1.726 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])s1 ZINC000601370369 449884973 /nfs/dbraw/zinc/88/49/73/449884973.db2.gz XTZDJXDBCIOFGG-KCJUWKMLSA-N 1 1 345.446 1.726 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])s1 ZINC000601419808 449936576 /nfs/dbraw/zinc/93/65/76/449936576.db2.gz OBGDSJYKPKUHSA-UWVGGRQHSA-N 1 1 331.419 1.289 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])s1 ZINC000601419808 449936581 /nfs/dbraw/zinc/93/65/81/449936581.db2.gz OBGDSJYKPKUHSA-UWVGGRQHSA-N 1 1 331.419 1.289 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000601439485 449960575 /nfs/dbraw/zinc/96/05/75/449960575.db2.gz RKYNKKNAVGKVEE-LBPRGKRZSA-N 1 1 327.406 1.700 20 5 EDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000602961051 449962656 /nfs/dbraw/zinc/96/26/56/449962656.db2.gz TVSGTADHBXCYSL-INIZCTEOSA-N 1 1 333.392 1.670 20 5 EDBDMO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000609383414 450020990 /nfs/dbraw/zinc/02/09/90/450020990.db2.gz ZQWHBMZTMCIAQF-LLVKDONJSA-N 1 1 337.376 1.684 20 5 EDBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000603109772 450071986 /nfs/dbraw/zinc/07/19/86/450071986.db2.gz IAXXHHJANIRANU-NWDGAFQWSA-N 1 1 339.417 1.885 20 5 EDBDMO C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000601518335 450040529 /nfs/dbraw/zinc/04/05/29/450040529.db2.gz YMFOJEZJEZRDHN-NSHDSACASA-N 1 1 339.367 1.651 20 5 EDBDMO C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000601518335 450040532 /nfs/dbraw/zinc/04/05/32/450040532.db2.gz YMFOJEZJEZRDHN-NSHDSACASA-N 1 1 339.367 1.651 20 5 EDBDMO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000618284564 450116174 /nfs/dbraw/zinc/11/61/74/450116174.db2.gz QBKWVAXAHJZRMQ-BLLLJJGKSA-N 1 1 345.403 1.624 20 5 EDBDMO COC1(CO)CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000618551040 450239121 /nfs/dbraw/zinc/23/91/21/450239121.db2.gz MPZYWUIIZGQAGE-LBPRGKRZSA-N 1 1 337.376 1.395 20 5 EDBDMO COC1(CO)CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000618550795 450239349 /nfs/dbraw/zinc/23/93/49/450239349.db2.gz FCFMMJVBRBEAFY-GFCCVEGCSA-N 1 1 337.376 1.395 20 5 EDBDMO O=[N+]([O-])c1ncccc1N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603422246 450294076 /nfs/dbraw/zinc/29/40/76/450294076.db2.gz DQQGBWLTYFTCOF-AWEZNQCLSA-N 1 1 335.408 1.198 20 5 EDBDMO O=[N+]([O-])c1cc(Br)ccc1NC[C@@]1(CO)COCC[NH2+]1 ZINC000603421318 450294132 /nfs/dbraw/zinc/29/41/32/450294132.db2.gz ZPCDKYRAWXNFSB-GFCCVEGCSA-N 1 1 346.181 1.120 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000610896767 450371277 /nfs/dbraw/zinc/37/12/77/450371277.db2.gz AKFJPVBWBGSNSA-YPMHNXCESA-N 1 1 347.371 1.880 20 5 EDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131500614 534776407 /nfs/dbraw/zinc/77/64/07/534776407.db2.gz BHCDRKIGBCAHMA-PYUISTEWSA-N 1 1 347.415 1.961 20 5 EDBDMO CC[N@H+]1CCC[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332447639 535575387 /nfs/dbraw/zinc/57/53/87/535575387.db2.gz DPGMAPZYHZKJSQ-ZDUSSCGKSA-N 1 1 349.387 1.509 20 5 EDBDMO CN(C)CC[NH+]1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347425500 535873532 /nfs/dbraw/zinc/87/35/32/535873532.db2.gz JZKAMVIDACZEIL-UHFFFAOYSA-N 1 1 344.419 1.976 20 5 EDBDMO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246531632 536568037 /nfs/dbraw/zinc/56/80/37/536568037.db2.gz PQAKYYCGUVOMEP-ZBEGNZNMSA-N 1 1 335.360 1.807 20 5 EDBDMO COC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246531632 536568040 /nfs/dbraw/zinc/56/80/40/536568040.db2.gz PQAKYYCGUVOMEP-ZBEGNZNMSA-N 1 1 335.360 1.807 20 5 EDBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)NCc1ccco1 ZINC000742589426 579456027 /nfs/dbraw/zinc/45/60/27/579456027.db2.gz IDYBUFNJAIBTHN-UHFFFAOYSA-N 1 1 333.344 1.815 20 5 EDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)NCc1ccco1 ZINC000742589426 579456028 /nfs/dbraw/zinc/45/60/28/579456028.db2.gz IDYBUFNJAIBTHN-UHFFFAOYSA-N 1 1 333.344 1.815 20 5 EDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000729418855 578571947 /nfs/dbraw/zinc/57/19/47/578571947.db2.gz IZGBTCNMHFRHBX-GFCCVEGCSA-N 1 1 331.376 1.355 20 5 EDBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000760907693 580041192 /nfs/dbraw/zinc/04/11/92/580041192.db2.gz ONBKKWRKCFNVBZ-DZGCQCFKSA-N 1 1 334.376 1.164 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H]2C[C@@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000761093398 580047953 /nfs/dbraw/zinc/04/79/53/580047953.db2.gz NSGYBBWSOLANJR-CJNGLKHVSA-N 1 1 330.388 1.338 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736859252 579027779 /nfs/dbraw/zinc/02/77/79/579027779.db2.gz YACXTRHKXZASLL-LLVKDONJSA-N 1 1 331.380 1.553 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000749802572 579740536 /nfs/dbraw/zinc/74/05/36/579740536.db2.gz 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CN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@H]1CC[N@H+](C2CC2)C1 ZINC000794629567 580900601 /nfs/dbraw/zinc/90/06/01/580900601.db2.gz XCAYVKMNCVNDHI-LBPRGKRZSA-N 1 1 332.360 1.629 20 5 EDBDMO CNC(=O)[C@@]1(C)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000797416163 580975144 /nfs/dbraw/zinc/97/51/44/580975144.db2.gz JWEUBRWSZRJCKF-INIZCTEOSA-N 1 1 344.375 1.269 20 5 EDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000797416163 580975145 /nfs/dbraw/zinc/97/51/45/580975145.db2.gz JWEUBRWSZRJCKF-INIZCTEOSA-N 1 1 344.375 1.269 20 5 EDBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1c([N+](=O)[O-])cnn1C ZINC000893283882 590753702 /nfs/dbraw/zinc/75/37/02/590753702.db2.gz APFXJVKLARNPMR-KRWDZBQOSA-N 1 1 345.403 1.402 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000892697725 591136321 /nfs/dbraw/zinc/13/63/21/591136321.db2.gz WAAUAEYNANBSJK-UHFFFAOYSA-N 1 1 336.440 1.691 20 5 EDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000891612061 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CC[C@H]1C[N@@H+](C)CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818971967 593731329 /nfs/dbraw/zinc/73/13/29/593731329.db2.gz SFTAWEWUDQFWQF-ZDUSSCGKSA-N 1 1 331.376 1.497 20 5 EDBDMO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C ZINC000820656573 593855174 /nfs/dbraw/zinc/85/51/74/593855174.db2.gz GPAKISBBVPGWHO-GHMZBOCLSA-N 1 1 331.380 1.694 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000821846778 593953050 /nfs/dbraw/zinc/95/30/50/593953050.db2.gz ZXUDCBXMZYXKJM-UHFFFAOYSA-N 1 1 330.304 1.666 20 5 EDBDMO C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@@H+]1C ZINC000826542980 594521561 /nfs/dbraw/zinc/52/15/61/594521561.db2.gz GMUKLKMJBHCCDY-NSHDSACASA-N 1 1 329.360 1.761 20 5 EDBDMO C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@H+]1C ZINC000826542980 594521563 /nfs/dbraw/zinc/52/15/63/594521563.db2.gz GMUKLKMJBHCCDY-NSHDSACASA-N 1 1 329.360 1.761 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)CC[C@@H]21 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ZINC000851887118 595963732 /nfs/dbraw/zinc/96/37/32/595963732.db2.gz UVKCSUXQHRKCDG-CHWSQXEVSA-N 1 1 335.364 1.713 20 5 EDBDMO O=C(OCC[NH+]1CCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000861384681 595967899 /nfs/dbraw/zinc/96/78/99/595967899.db2.gz BQDNVNMAEYPNAH-UHFFFAOYSA-N 1 1 335.360 1.294 20 5 EDBDMO CCOc1cc(N2CC[NH+](C[C@H]3CCC(=O)O3)CC2)ccc1[N+](=O)[O-] ZINC000852004389 596004144 /nfs/dbraw/zinc/00/41/44/596004144.db2.gz ZKHMMXDWRNCROI-CQSZACIVSA-N 1 1 349.387 1.821 20 5 EDBDMO COCC[N@@H+](CCF)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000852482053 596178507 /nfs/dbraw/zinc/17/85/07/596178507.db2.gz DHCIZSNTBWBNSY-UHFFFAOYSA-N 1 1 341.339 1.811 20 5 EDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000854735015 596180787 /nfs/dbraw/zinc/18/07/87/596180787.db2.gz IBYHRRWRNSYDEV-WBVHZDCISA-N 1 1 333.388 1.573 20 5 EDBDMO O=[N+]([O-])c1ccc2nccc(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)c2c1 ZINC000865484764 596588171 /nfs/dbraw/zinc/58/81/71/596588171.db2.gz ISILLXAVMVEBGI-KBPBESRZSA-N 1 1 328.372 1.840 20 5 EDBDMO Cc1ccc(-c2noc([C@@H](C)N3CC[NH2+]CC3=O)n2)cc1[N+](=O)[O-] ZINC000863659918 596647357 /nfs/dbraw/zinc/64/73/57/596647357.db2.gz RETSHOHJUDGDPU-SNVBAGLBSA-N 1 1 331.332 1.446 20 5 EDBDMO C[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[N@H+]1CC(C)(C)O ZINC000865710245 596657154 /nfs/dbraw/zinc/65/71/54/596657154.db2.gz NWSJGNABKCMPPP-LLVKDONJSA-N 1 1 341.383 1.508 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000872284613 596867159 /nfs/dbraw/zinc/86/71/59/596867159.db2.gz OSPMLOHCYIUDQT-UHFFFAOYSA-N 1 1 349.387 1.475 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCNC(=O)CC12CCOCC2 ZINC000872284613 596867163 /nfs/dbraw/zinc/86/71/63/596867163.db2.gz OSPMLOHCYIUDQT-UHFFFAOYSA-N 1 1 349.387 1.475 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c([N+](=O)[O-])s1 ZINC000872665266 597021251 /nfs/dbraw/zinc/02/12/51/597021251.db2.gz PFMGMBMAHUSQAQ-MNOVXSKESA-N 1 1 345.446 1.822 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c([N+](=O)[O-])s1 ZINC000872665266 597021252 /nfs/dbraw/zinc/02/12/52/597021252.db2.gz PFMGMBMAHUSQAQ-MNOVXSKESA-N 1 1 345.446 1.822 20 5 EDBDMO C[N@H+]1CC[C@@H](C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000881863566 597761411 /nfs/dbraw/zinc/76/14/11/597761411.db2.gz BQZBSOOQFXYKGE-SNVBAGLBSA-N 1 1 342.193 1.925 20 5 EDBDMO C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[N@@H+]1C ZINC000878977605 597772163 /nfs/dbraw/zinc/77/21/63/597772163.db2.gz RIEVKFPCKIQBHT-NSHDSACASA-N 1 1 335.360 1.532 20 5 EDBDMO C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[N@H+]1C ZINC000878977605 597772167 /nfs/dbraw/zinc/77/21/67/597772167.db2.gz RIEVKFPCKIQBHT-NSHDSACASA-N 1 1 335.360 1.532 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880083807 597836488 /nfs/dbraw/zinc/83/64/88/597836488.db2.gz VCAZQLYOXODOBO-HNNXBMFYSA-N 1 1 345.359 1.749 20 5 EDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880430539 597931755 /nfs/dbraw/zinc/93/17/55/597931755.db2.gz NADSDLIAEWSJTI-HUUCEWRRSA-N 1 1 337.376 1.659 20 5 EDBDMO CC1(C)[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000880500407 597949797 /nfs/dbraw/zinc/94/97/97/597949797.db2.gz AJGAHCNBLLJZMP-HOTGVXAUSA-N 1 1 347.415 1.753 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000882489746 597974960 /nfs/dbraw/zinc/97/49/60/597974960.db2.gz GAZBXMWACJVJKF-CYBMUJFWSA-N 1 1 348.403 1.255 20 5 EDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000154977561 697282596 /nfs/dbraw/zinc/28/25/96/697282596.db2.gz KANFZIBMXAECIP-ZDUSSCGKSA-N 1 1 341.375 1.906 20 5 EDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1cc[nH]c(=O)c1 ZINC001031608265 697313109 /nfs/dbraw/zinc/31/31/09/697313109.db2.gz UZBWWAARBFIXJU-UHFFFAOYSA-N 1 1 342.355 1.557 20 5 EDBDMO Cc1nccc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001032193565 702561162 /nfs/dbraw/zinc/56/11/62/702561162.db2.gz DGSBWBZXXSSZBT-UHFFFAOYSA-N 1 1 341.371 1.555 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000996429730 702783675 /nfs/dbraw/zinc/78/36/75/702783675.db2.gz UZUSOLLTCQBIPJ-CHWSQXEVSA-N 1 1 338.795 1.481 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000178011628 529466180 /nfs/dbraw/zinc/46/61/80/529466180.db2.gz YYSCLMIITFASBO-UHFFFAOYSA-N 1 1 335.408 1.971 20 5 EDBDMO CNC(=O)c1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159717887 529937261 /nfs/dbraw/zinc/93/72/61/529937261.db2.gz DPGAXEHTZLTMTF-UHFFFAOYSA-N 1 1 344.371 1.248 20 5 EDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102343049 219196142 /nfs/dbraw/zinc/19/61/42/219196142.db2.gz JAXUFHMHVSAZNV-ZDUSSCGKSA-N 1 1 337.424 1.763 20 5 EDBDMO COCCC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000066865645 215088036 /nfs/dbraw/zinc/08/80/36/215088036.db2.gz QDGFVQAPDGAOCV-LLVKDONJSA-N 1 1 325.365 1.899 20 5 EDBDMO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000066878817 215090655 /nfs/dbraw/zinc/09/06/55/215090655.db2.gz GVSHPXAMDHFYKG-UHFFFAOYSA-N 1 1 341.433 1.841 20 5 EDBDMO COc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000069129525 215362512 /nfs/dbraw/zinc/36/25/12/215362512.db2.gz LWGXIYMXXNCCIS-JTQLQIEISA-N 1 1 343.405 1.364 20 5 EDBDMO COC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181685345 234283778 /nfs/dbraw/zinc/28/37/78/234283778.db2.gz WUDPBOMKCCLBIO-ZDUSSCGKSA-N 1 1 339.323 1.700 20 5 EDBDMO COC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181685345 234283784 /nfs/dbraw/zinc/28/37/84/234283784.db2.gz WUDPBOMKCCLBIO-ZDUSSCGKSA-N 1 1 339.323 1.700 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090459436 138278676 /nfs/dbraw/zinc/27/86/76/138278676.db2.gz BHJJUNKWUXCLQF-IAGOWNOFSA-N 1 1 347.415 1.897 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090459436 138278677 /nfs/dbraw/zinc/27/86/77/138278677.db2.gz BHJJUNKWUXCLQF-IAGOWNOFSA-N 1 1 347.415 1.897 20 5 EDBDMO COc1cc(C[N@H+]2CCCC[C@H]2CC(N)=O)c([N+](=O)[O-])cc1OC ZINC000092588657 138289854 /nfs/dbraw/zinc/28/98/54/138289854.db2.gz AMYDIYAFIXZGOG-LBPRGKRZSA-N 1 1 337.376 1.842 20 5 EDBDMO NC(=O)c1csc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534781 138293890 /nfs/dbraw/zinc/29/38/90/138293890.db2.gz IFMLOFKZGDQIHL-NSHDSACASA-N 1 1 347.400 1.837 20 5 EDBDMO NC(=O)c1csc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534781 138293891 /nfs/dbraw/zinc/29/38/91/138293891.db2.gz IFMLOFKZGDQIHL-NSHDSACASA-N 1 1 347.400 1.837 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124847012 138330068 /nfs/dbraw/zinc/33/00/68/138330068.db2.gz SAHQZDPPLVYQFO-NSHDSACASA-N 1 1 347.462 1.927 20 5 EDBDMO COC(=O)c1cc(N2CCC[N@@H+](CCO)CC2)cc(C)c1[N+](=O)[O-] ZINC000130580434 138342406 /nfs/dbraw/zinc/34/24/06/138342406.db2.gz XWDNWVAUTINPHG-UHFFFAOYSA-N 1 1 337.376 1.194 20 5 EDBDMO O=C(c1ccsc1)N1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176214500 138705694 /nfs/dbraw/zinc/70/56/94/138705694.db2.gz UAFDVSHJDYTYBI-UHFFFAOYSA-N 1 1 349.416 1.701 20 5 EDBDMO O=C(c1ccsc1)N1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176214500 138705695 /nfs/dbraw/zinc/70/56/95/138705695.db2.gz UAFDVSHJDYTYBI-UHFFFAOYSA-N 1 1 349.416 1.701 20 5 EDBDMO CC(C)(C[NH+]1CCOCC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000413950880 304092092 /nfs/dbraw/zinc/09/20/92/304092092.db2.gz AWEWAMKXAJHVBH-UHFFFAOYSA-N 1 1 335.404 1.754 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)N2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246394932 139106964 /nfs/dbraw/zinc/10/69/64/139106964.db2.gz PNOXYAHLCINRAZ-STQMWFEESA-N 1 1 348.403 1.710 20 5 EDBDMO CCOCCCN1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000246374228 139106083 /nfs/dbraw/zinc/10/60/83/139106083.db2.gz JPSSONWIEBQCIJ-GOEBONIOSA-N 1 1 339.440 1.518 20 5 EDBDMO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246414487 139107628 /nfs/dbraw/zinc/10/76/28/139107628.db2.gz BTRFBNHGYQDVLI-ZIAGYGMSSA-N 1 1 347.419 1.877 20 5 EDBDMO C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246414487 139107629 /nfs/dbraw/zinc/10/76/29/139107629.db2.gz BTRFBNHGYQDVLI-ZIAGYGMSSA-N 1 1 347.419 1.877 20 5 EDBDMO C[C@H](O)C[C@H]1CCC[N@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000246907884 139126511 /nfs/dbraw/zinc/12/65/11/139126511.db2.gz XXFFSRWUHMXJTM-ZENOOKHLSA-N 1 1 333.388 1.935 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000248426697 139163182 /nfs/dbraw/zinc/16/31/82/139163182.db2.gz LTTHGQWIXFMZFD-GXTWGEPZSA-N 1 1 341.433 1.697 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000411523559 250566860 /nfs/dbraw/zinc/56/68/60/250566860.db2.gz YSKDMMFNZVNNDD-ZDUSSCGKSA-N 1 1 348.403 1.703 20 5 EDBDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000411523559 250566863 /nfs/dbraw/zinc/56/68/63/250566863.db2.gz YSKDMMFNZVNNDD-ZDUSSCGKSA-N 1 1 348.403 1.703 20 5 EDBDMO CCCC[N@@H+](C)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000112333526 220305293 /nfs/dbraw/zinc/30/52/93/220305293.db2.gz SIKXJKAUUYYLHA-UHFFFAOYSA-N 1 1 330.410 1.386 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000114382702 220675143 /nfs/dbraw/zinc/67/51/43/220675143.db2.gz BPJLAYAXJPLUKD-UHFFFAOYSA-N 1 1 348.447 1.907 20 5 EDBDMO C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@H]1C ZINC000490339884 255085064 /nfs/dbraw/zinc/08/50/64/255085064.db2.gz DAPHAFAFBILGSN-OLZOCXBDSA-N 1 1 338.412 1.353 20 5 EDBDMO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000493566850 255216309 /nfs/dbraw/zinc/21/63/09/255216309.db2.gz ZVPHHDRUDXYYQC-DTRQGZQOSA-N 1 1 329.278 1.813 20 5 EDBDMO C[N@H+]1CCN(CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000493233735 255198280 /nfs/dbraw/zinc/19/82/80/255198280.db2.gz OFCATVGDEKUULC-HJWRWDBZSA-N 1 1 346.431 1.750 20 5 EDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000117241509 221038114 /nfs/dbraw/zinc/03/81/14/221038114.db2.gz SOEOEBFSLMERNW-SNVBAGLBSA-N 1 1 330.344 1.118 20 5 EDBDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000264227514 139388366 /nfs/dbraw/zinc/38/83/66/139388366.db2.gz XINLALYPSZSAGI-ZDUSSCGKSA-N 1 1 343.387 1.804 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000270351482 140084083 /nfs/dbraw/zinc/08/40/83/140084083.db2.gz GGYGBNSXRCWULM-UHFFFAOYSA-N 1 1 335.404 1.443 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000271409432 140291902 /nfs/dbraw/zinc/29/19/02/140291902.db2.gz ODHAAYZGSYQAHD-YPMHNXCESA-N 1 1 333.392 1.417 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(CCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000339387146 142033881 /nfs/dbraw/zinc/03/38/81/142033881.db2.gz FRJSWPGTWPWQOG-IAGOWNOFSA-N 1 1 335.404 1.769 20 5 EDBDMO 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COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](F)C[C@@H]1CO ZINC000346399781 143200798 /nfs/dbraw/zinc/20/07/98/143200798.db2.gz KAQYNTHDMFPPNF-ZYHUDNBSSA-N 1 1 341.339 1.337 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](F)C[C@@H]1CO ZINC000346399781 143200799 /nfs/dbraw/zinc/20/07/99/143200799.db2.gz KAQYNTHDMFPPNF-ZYHUDNBSSA-N 1 1 341.339 1.337 20 5 EDBDMO O=C(CC[N@H+]1CCN2C(=O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000346451158 143206144 /nfs/dbraw/zinc/20/61/44/143206144.db2.gz JJMYZVROBRYYSE-CQSZACIVSA-N 1 1 332.360 1.230 20 5 EDBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000347661160 143346521 /nfs/dbraw/zinc/34/65/21/143346521.db2.gz BVIUBGBHJGZWJR-CYBMUJFWSA-N 1 1 348.403 1.432 20 5 EDBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnc4cnccn34)CC2)n1 ZINC000369693380 155136911 /nfs/dbraw/zinc/13/69/11/155136911.db2.gz NPLPRFJFOXJSNS-UHFFFAOYSA-N 1 1 327.348 1.671 20 5 EDBDMO O=C(NCCCO)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000352693804 149119623 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CFZKCCXKJAEAQG-MNOVXSKESA-N 1 1 343.405 1.364 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000361044608 152288560 /nfs/dbraw/zinc/28/85/60/152288560.db2.gz UNDJSSNGWUXRSM-UHFFFAOYSA-N 1 1 339.440 1.914 20 5 EDBDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000361358348 152371108 /nfs/dbraw/zinc/37/11/08/152371108.db2.gz JZBLYWKSGKOXCU-CLWVCHIJSA-N 1 1 339.436 1.390 20 5 EDBDMO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000361358348 152371109 /nfs/dbraw/zinc/37/11/09/152371109.db2.gz JZBLYWKSGKOXCU-CLWVCHIJSA-N 1 1 339.436 1.390 20 5 EDBDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000361358348 152371111 /nfs/dbraw/zinc/37/11/11/152371111.db2.gz JZBLYWKSGKOXCU-CLWVCHIJSA-N 1 1 339.436 1.390 20 5 EDBDMO CSc1cccc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000362409891 152700706 /nfs/dbraw/zinc/70/07/06/152700706.db2.gz HLGHXTVKPIKBIW-CQSZACIVSA-N 1 1 325.390 1.113 20 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O=C(N[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)C1CCC1 ZINC000372154773 156245510 /nfs/dbraw/zinc/24/55/10/156245510.db2.gz BIKYZGWKVQYXFW-ZBFHGGJFSA-N 1 1 333.388 1.619 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000374532745 157319182 /nfs/dbraw/zinc/31/91/82/157319182.db2.gz ZQANBLSWYKVPBS-JKSUJKDBSA-N 1 1 334.351 1.723 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000374532745 157319183 /nfs/dbraw/zinc/31/91/83/157319183.db2.gz ZQANBLSWYKVPBS-JKSUJKDBSA-N 1 1 334.351 1.723 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000174356895 533683599 /nfs/dbraw/zinc/68/35/99/533683599.db2.gz LBSMEJLROWGPLR-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000174356895 533683602 /nfs/dbraw/zinc/68/36/02/533683602.db2.gz LBSMEJLROWGPLR-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO CCOc1ccc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000189711930 267782529 /nfs/dbraw/zinc/78/25/29/267782529.db2.gz ZLELWQVQHYTDGZ-LBPRGKRZSA-N 1 1 337.376 1.132 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1nncn1C ZINC000275164460 268289139 /nfs/dbraw/zinc/28/91/39/268289139.db2.gz JQZJXAFQERNSKA-JTQLQIEISA-N 1 1 348.363 1.411 20 5 EDBDMO COC(=O)c1cnc(NCc2c[nH+]c(N(C)C)n2C)c([N+](=O)[O-])c1 ZINC000276687315 268461632 /nfs/dbraw/zinc/46/16/32/268461632.db2.gz GRQISIFAMNCZST-UHFFFAOYSA-N 1 1 334.336 1.188 20 5 EDBDMO O=[N+]([O-])c1cnc(NCc2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000273226055 273033942 /nfs/dbraw/zinc/03/39/42/273033942.db2.gz WDHPGFZJSISKRD-UHFFFAOYSA-N 1 1 329.360 1.829 20 5 EDBDMO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000273542369 273042949 /nfs/dbraw/zinc/04/29/49/273042949.db2.gz ARLOAVGAAVYPSV-BXKDBHETSA-N 1 1 338.389 1.845 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000274330395 273084312 /nfs/dbraw/zinc/08/43/12/273084312.db2.gz AGLBEZTWCOUEAH-GHMZBOCLSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000274330395 273084313 /nfs/dbraw/zinc/08/43/13/273084313.db2.gz AGLBEZTWCOUEAH-GHMZBOCLSA-N 1 1 341.795 1.775 20 5 EDBDMO CCC[C@]1(CO)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000277917898 273234635 /nfs/dbraw/zinc/23/46/35/273234635.db2.gz XSSGVFPJBBBCDQ-WMLDXEAASA-N 1 1 338.404 1.962 20 5 EDBDMO C[C@@H]1OCC[C@]12C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279723144 273319726 /nfs/dbraw/zinc/31/97/26/273319726.db2.gz IYXBDLNGQZLOEY-OQUILHJVSA-N 1 1 336.388 1.897 20 5 EDBDMO C[C@@H]1OCC[C@]12C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279723144 273319728 /nfs/dbraw/zinc/31/97/28/273319728.db2.gz IYXBDLNGQZLOEY-OQUILHJVSA-N 1 1 336.388 1.897 20 5 EDBDMO C[N@H+]1CC[C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280047431 273339895 /nfs/dbraw/zinc/33/98/95/273339895.db2.gz GDMVPOKGDJCUJA-SECBINFHSA-N 1 1 329.759 1.998 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000284086949 274076067 /nfs/dbraw/zinc/07/60/67/274076067.db2.gz LRWWRNAEQLZKOX-NEPJUHHUSA-N 1 1 338.364 1.390 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC[C@@H]21 ZINC000284450424 274206685 /nfs/dbraw/zinc/20/66/85/274206685.db2.gz QXXMIVZKAOCJGR-HZMBPMFUSA-N 1 1 336.367 1.872 20 5 EDBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000284675676 274289670 /nfs/dbraw/zinc/28/96/70/274289670.db2.gz FWSIOHBTDCVPJO-SZTZYQKNSA-N 1 1 341.371 1.515 20 5 EDBDMO CCOc1cc(C[N@@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000284872323 274367552 /nfs/dbraw/zinc/36/75/52/274367552.db2.gz SOFKAAAHZRORQV-CVEARBPZSA-N 1 1 335.404 1.898 20 5 EDBDMO CCOc1cc(C[N@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000284872323 274367555 /nfs/dbraw/zinc/36/75/55/274367555.db2.gz SOFKAAAHZRORQV-CVEARBPZSA-N 1 1 335.404 1.898 20 5 EDBDMO COC(=O)[C@@H](C)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185188324 277337230 /nfs/dbraw/zinc/33/72/30/277337230.db2.gz ICQFWZSRIMSVBU-JTQLQIEISA-N 1 1 341.339 1.803 20 5 EDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000332495256 278090874 /nfs/dbraw/zinc/09/08/74/278090874.db2.gz BQDLXGWIRKIDMN-MNOVXSKESA-N 1 1 335.360 1.531 20 5 EDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000332495256 278090877 /nfs/dbraw/zinc/09/08/77/278090877.db2.gz BQDLXGWIRKIDMN-MNOVXSKESA-N 1 1 335.360 1.531 20 5 EDBDMO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000354507180 278366626 /nfs/dbraw/zinc/36/66/26/278366626.db2.gz ZJJBNELEALTEKK-JTQLQIEISA-N 1 1 331.369 1.449 20 5 EDBDMO C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000354507180 278366628 /nfs/dbraw/zinc/36/66/28/278366628.db2.gz ZJJBNELEALTEKK-JTQLQIEISA-N 1 1 331.369 1.449 20 5 EDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000286594572 288041700 /nfs/dbraw/zinc/04/17/00/288041700.db2.gz QUGZUJIULFXETC-WPAGTLKASA-N 1 1 348.399 1.690 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000286903550 288114783 /nfs/dbraw/zinc/11/47/83/288114783.db2.gz LVSZKCRZABCKSG-SWLSCSKDSA-N 1 1 328.340 1.131 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000286903550 288114784 /nfs/dbraw/zinc/11/47/84/288114784.db2.gz LVSZKCRZABCKSG-SWLSCSKDSA-N 1 1 328.340 1.131 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000286905954 288115432 /nfs/dbraw/zinc/11/54/32/288115432.db2.gz LXRMIJOMRJUSNZ-HIFRSBDPSA-N 1 1 328.340 1.131 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000286905954 288115434 /nfs/dbraw/zinc/11/54/34/288115434.db2.gz LXRMIJOMRJUSNZ-HIFRSBDPSA-N 1 1 328.340 1.131 20 5 EDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 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442485005 /nfs/dbraw/zinc/48/50/05/442485005.db2.gz BBWZBIPNSNSSPX-UHFFFAOYSA-N 1 1 332.404 1.728 20 5 EDBDMO Cc1ccc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000157625263 442599194 /nfs/dbraw/zinc/59/91/94/442599194.db2.gz SDSUDKFDZGGDCU-ZDUSSCGKSA-N 1 1 349.435 1.908 20 5 EDBDMO COCC[NH+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000192599599 442667510 /nfs/dbraw/zinc/66/75/10/442667510.db2.gz NUTHCEFHEABPQP-UHFFFAOYSA-N 1 1 347.375 1.409 20 5 EDBDMO COc1cccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000192630477 442670107 /nfs/dbraw/zinc/67/01/07/442670107.db2.gz HBWBNCAMQPPBAM-VXGBXAGGSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1cccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000192630477 442670110 /nfs/dbraw/zinc/67/01/10/442670110.db2.gz HBWBNCAMQPPBAM-VXGBXAGGSA-N 1 1 337.376 1.131 20 5 EDBDMO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246377812 442777132 /nfs/dbraw/zinc/77/71/32/442777132.db2.gz ZCQLAKISTVSTQG-UKRRQHHQSA-N 1 1 337.376 1.839 20 5 EDBDMO CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246377812 442777137 /nfs/dbraw/zinc/77/71/37/442777137.db2.gz ZCQLAKISTVSTQG-UKRRQHHQSA-N 1 1 337.376 1.839 20 5 EDBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000182500808 442777382 /nfs/dbraw/zinc/77/73/82/442777382.db2.gz RNVVDWSQURZXHP-UHFFFAOYSA-N 1 1 349.435 1.374 20 5 EDBDMO CCOC(=O)c1ccnc(NCCC[N@@H+](C)CCOC)c1[N+](=O)[O-] ZINC000265539103 442815539 /nfs/dbraw/zinc/81/55/39/442815539.db2.gz CYWRUXIJSWSLKW-UHFFFAOYSA-N 1 1 340.380 1.547 20 5 EDBDMO COc1cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000268176144 442884468 /nfs/dbraw/zinc/88/44/68/442884468.db2.gz KSBFJEMDSJFBJU-ZWNOBZJWSA-N 1 1 349.387 1.825 20 5 EDBDMO Cc1nn(CCC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000268191144 442891708 /nfs/dbraw/zinc/89/17/08/442891708.db2.gz HSCLEPPPVSXKQM-QMTHXVAHSA-N 1 1 335.408 1.397 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000183218912 442906297 /nfs/dbraw/zinc/90/62/97/442906297.db2.gz IJILCVFSQHTLIS-RYUDHWBXSA-N 1 1 337.376 1.635 20 5 EDBDMO COC(=O)c1cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000268262691 442923562 /nfs/dbraw/zinc/92/35/62/442923562.db2.gz ZPWKZCSUDIKRPO-BMIGLBTASA-N 1 1 347.371 1.594 20 5 EDBDMO CCC[C@]1(COC)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000194928821 442969836 /nfs/dbraw/zinc/96/98/36/442969836.db2.gz XCLKCRSSVDUFTP-LSDHHAIUSA-N 1 1 326.397 1.433 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189432721 442951742 /nfs/dbraw/zinc/95/17/42/442951742.db2.gz ZIMWFXFLXJRMBR-AWEZNQCLSA-N 1 1 337.420 1.751 20 5 EDBDMO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](CO)O1 ZINC000190106081 443057791 /nfs/dbraw/zinc/05/77/91/443057791.db2.gz WDUGBARADXKSSF-SWLSCSKDSA-N 1 1 347.371 1.874 20 5 EDBDMO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](CO)O1 ZINC000190106081 443057794 /nfs/dbraw/zinc/05/77/94/443057794.db2.gz WDUGBARADXKSSF-SWLSCSKDSA-N 1 1 347.371 1.874 20 5 EDBDMO COc1ccc(OCC[N@@H+](C)CCc2noc(C)n2)c([N+](=O)[O-])c1 ZINC000266748610 443228025 /nfs/dbraw/zinc/22/80/25/443228025.db2.gz PFTMMMAKMWTYAV-UHFFFAOYSA-N 1 1 336.348 1.848 20 5 EDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CCn4c[nH+]cc4C3)n2)n1C ZINC000350965537 319083609 /nfs/dbraw/zinc/08/36/09/319083609.db2.gz OSHSNMLVYFPWHQ-SECBINFHSA-N 1 1 329.320 1.613 20 5 EDBDMO CC[N@H+]1CC[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000413565234 319277723 /nfs/dbraw/zinc/27/77/23/319277723.db2.gz HBGRVNSTJCGIHF-NSHDSACASA-N 1 1 342.421 1.351 20 5 EDBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000266852073 443268125 /nfs/dbraw/zinc/26/81/25/443268125.db2.gz RUBNBCQIYDXZAQ-UHFFFAOYSA-N 1 1 349.435 1.679 20 5 EDBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000266852073 443268127 /nfs/dbraw/zinc/26/81/27/443268127.db2.gz RUBNBCQIYDXZAQ-UHFFFAOYSA-N 1 1 349.435 1.679 20 5 EDBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000272486542 443336030 /nfs/dbraw/zinc/33/60/30/443336030.db2.gz GPPAZJJJYKMYJC-UHFFFAOYSA-N 1 1 349.387 1.485 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000269680389 443393107 /nfs/dbraw/zinc/39/31/07/443393107.db2.gz XXVHJXZUHDLJEF-SJORKVTESA-N 1 1 335.404 1.425 20 5 EDBDMO COC(=O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269658307 443383111 /nfs/dbraw/zinc/38/31/11/443383111.db2.gz NTXLOETZXRYXOG-GFCCVEGCSA-N 1 1 335.360 1.951 20 5 EDBDMO C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272781276 443442676 /nfs/dbraw/zinc/44/26/76/443442676.db2.gz RMWLCECQVGGPBU-CYBMUJFWSA-N 1 1 347.419 1.956 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCSCC2)c1 ZINC000264766664 443413904 /nfs/dbraw/zinc/41/39/04/443413904.db2.gz FNNRFIXUWIFHBK-UHFFFAOYSA-N 1 1 325.390 1.382 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000267401468 443444263 /nfs/dbraw/zinc/44/42/63/443444263.db2.gz OLVJUPYKJMWRPE-SNVBAGLBSA-N 1 1 327.768 1.699 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000423624604 319795911 /nfs/dbraw/zinc/79/59/11/319795911.db2.gz DIHQBTCUMGTZRL-OAHLLOKOSA-N 1 1 343.387 1.732 20 5 EDBDMO O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000279402585 443577761 /nfs/dbraw/zinc/57/77/61/443577761.db2.gz DBCWQBSBEZPSGQ-KRWDZBQOSA-N 1 1 344.415 1.870 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000286077651 443641241 /nfs/dbraw/zinc/64/12/41/443641241.db2.gz CPROXOOUEOQRDZ-WCQYABFASA-N 1 1 334.376 1.697 20 5 EDBDMO CC1(C)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1O ZINC000279877867 443634631 /nfs/dbraw/zinc/63/46/31/443634631.db2.gz UFUUAGFVFZWNLM-ZDUSSCGKSA-N 1 1 325.340 1.765 20 5 EDBDMO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000286190757 443665249 /nfs/dbraw/zinc/66/52/49/443665249.db2.gz RTUVSMNMBDUBQB-LBPRGKRZSA-N 1 1 333.348 1.359 20 5 EDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000440834198 320081892 /nfs/dbraw/zinc/08/18/92/320081892.db2.gz QPVMCGOZQZOWMM-ZDUSSCGKSA-N 1 1 327.406 1.666 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452357193 320248382 /nfs/dbraw/zinc/24/83/82/320248382.db2.gz DTYMNMYFWADHEA-CYBMUJFWSA-N 1 1 337.376 1.180 20 5 EDBDMO CC(C)[N@H+](CCOCCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283797870 443722392 /nfs/dbraw/zinc/72/23/92/443722392.db2.gz VDQUPNXGPDOUAG-UHFFFAOYSA-N 1 1 325.365 1.253 20 5 EDBDMO CC(C)[N@@H+](CCOCCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283797870 443722397 /nfs/dbraw/zinc/72/23/97/443722397.db2.gz VDQUPNXGPDOUAG-UHFFFAOYSA-N 1 1 325.365 1.253 20 5 EDBDMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000298331344 443747773 /nfs/dbraw/zinc/74/77/73/443747773.db2.gz ZSYWDOZYDLACNO-UHFFFAOYSA-N 1 1 348.403 1.704 20 5 EDBDMO C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292691543 443818540 /nfs/dbraw/zinc/81/85/40/443818540.db2.gz CPKYLIBCMHRVLC-OAHLLOKOSA-N 1 1 339.417 1.701 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(c2ccc(N)[nH+]c2)CC1 ZINC000288257218 443822020 /nfs/dbraw/zinc/82/20/20/443822020.db2.gz YEYKIQPQOGJARP-UHFFFAOYSA-N 1 1 331.380 1.423 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285114984 443861064 /nfs/dbraw/zinc/86/10/64/443861064.db2.gz RDWZILLGDRBVMS-AAEUAGOBSA-N 1 1 334.376 1.615 20 5 EDBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000299070769 443945063 /nfs/dbraw/zinc/94/50/63/443945063.db2.gz KGIYGOMJKOGKNU-UHFFFAOYSA-N 1 1 340.449 1.754 20 5 EDBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000299070769 443945068 /nfs/dbraw/zinc/94/50/68/443945068.db2.gz KGIYGOMJKOGKNU-UHFFFAOYSA-N 1 1 340.449 1.754 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1F ZINC000285300910 443933328 /nfs/dbraw/zinc/93/33/28/443933328.db2.gz PMTWFRVHHHESOS-ZIAGYGMSSA-N 1 1 337.351 1.587 20 5 EDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289100441 444052681 /nfs/dbraw/zinc/05/26/81/444052681.db2.gz CEXDTZWOSYDABH-MRXNPFEDSA-N 1 1 329.360 1.687 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293405578 444008050 /nfs/dbraw/zinc/00/80/50/444008050.db2.gz YNRVKWOVYRCJHH-JKSUJKDBSA-N 1 1 348.403 1.328 20 5 EDBDMO Cc1sc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000285729982 444088620 /nfs/dbraw/zinc/08/86/20/444088620.db2.gz KICOJRLHXXMULB-VXGBXAGGSA-N 1 1 325.390 1.510 20 5 EDBDMO Cc1sc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000285729982 444088624 /nfs/dbraw/zinc/08/86/24/444088624.db2.gz KICOJRLHXXMULB-VXGBXAGGSA-N 1 1 325.390 1.510 20 5 EDBDMO Cc1nc(CC[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)no1 ZINC000299592811 444089295 /nfs/dbraw/zinc/08/92/95/444089295.db2.gz 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Cc1nc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)ccc1[N+](=O)[O-] ZINC000301629300 444182894 /nfs/dbraw/zinc/18/28/94/444182894.db2.gz BYHVLHFKFSCCNS-UHFFFAOYSA-N 1 1 343.391 1.481 20 5 EDBDMO CN(C)c1ncccc1O[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296068353 444202220 /nfs/dbraw/zinc/20/22/20/444202220.db2.gz VDHSPZBOIHODGC-AWEZNQCLSA-N 1 1 346.391 1.406 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000304359626 444248276 /nfs/dbraw/zinc/24/82/76/444248276.db2.gz TUKKJWAKQAFHLP-NVXWUHKLSA-N 1 1 330.388 1.859 20 5 EDBDMO C[N@@H+](C[C@@H](O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)C1CC1 ZINC000290830889 444328159 /nfs/dbraw/zinc/32/81/59/444328159.db2.gz UPQRWBQACIDVJM-OAHLLOKOSA-N 1 1 344.371 1.274 20 5 EDBDMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340579938 444448302 /nfs/dbraw/zinc/44/83/02/444448302.db2.gz JWWDNAODZLGDJG-DZGCQCFKSA-N 1 1 344.371 1.288 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 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CC1(C)CC[C@H](CO)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000598647441 449516991 /nfs/dbraw/zinc/51/69/91/449516991.db2.gz MFVTUHPMWLFEIU-OAHLLOKOSA-N 1 1 347.415 1.967 20 5 EDBDMO [NH3+]Cc1cc(=O)[n-]c(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000596655291 449589726 /nfs/dbraw/zinc/58/97/26/449589726.db2.gz UJOLMHAAURWFNI-AWEZNQCLSA-N 1 1 343.387 1.660 20 5 EDBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602453765 449601106 /nfs/dbraw/zinc/60/11/06/449601106.db2.gz OVGKQGNIIRIVJC-OLZOCXBDSA-N 1 1 337.424 1.845 20 5 EDBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602453765 449601110 /nfs/dbraw/zinc/60/11/10/449601110.db2.gz OVGKQGNIIRIVJC-OLZOCXBDSA-N 1 1 337.424 1.845 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594751689 449667012 /nfs/dbraw/zinc/66/70/12/449667012.db2.gz BDOQVAPUYOQJOJ-NSHDSACASA-N 1 1 328.394 1.000 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594800207 449711619 /nfs/dbraw/zinc/71/16/19/449711619.db2.gz ZGDOIJJESFXERP-SNVBAGLBSA-N 1 1 328.394 1.141 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594801823 449712718 /nfs/dbraw/zinc/71/27/18/449712718.db2.gz SYEXYMQZCUJOOV-ZDUSSCGKSA-N 1 1 341.433 1.887 20 5 EDBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCC[N@H+]1CC[C@H](O)C1 ZINC000602730589 449771583 /nfs/dbraw/zinc/77/15/83/449771583.db2.gz RBPICSLHTCBCOJ-LBPRGKRZSA-N 1 1 333.310 1.770 20 5 EDBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCC[N@@H+]1CC[C@H](O)C1 ZINC000602730589 449771588 /nfs/dbraw/zinc/77/15/88/449771588.db2.gz RBPICSLHTCBCOJ-LBPRGKRZSA-N 1 1 333.310 1.770 20 5 EDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000617722353 449775721 /nfs/dbraw/zinc/77/57/21/449775721.db2.gz NIRFNYFZSRTJMH-UKRRQHHQSA-N 1 1 335.404 1.925 20 5 EDBDMO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602797773 449818170 /nfs/dbraw/zinc/81/81/70/449818170.db2.gz OIPCLXSKSDZQGX-LBPRGKRZSA-N 1 1 333.396 1.880 20 5 EDBDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602797773 449818179 /nfs/dbraw/zinc/81/81/79/449818179.db2.gz OIPCLXSKSDZQGX-LBPRGKRZSA-N 1 1 333.396 1.880 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCN1CCN(C)CC1 ZINC000595005049 449839789 /nfs/dbraw/zinc/83/97/89/449839789.db2.gz WFQKNWDXMJDOFC-AWEZNQCLSA-N 1 1 336.436 1.892 20 5 EDBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000612616850 449800963 /nfs/dbraw/zinc/80/09/63/449800963.db2.gz OJZHKEBJOVEHDK-ZANVPECISA-N 1 1 326.328 1.575 20 5 EDBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000612616850 449800966 /nfs/dbraw/zinc/80/09/66/449800966.db2.gz OJZHKEBJOVEHDK-ZANVPECISA-N 1 1 326.328 1.575 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601357091 449870714 /nfs/dbraw/zinc/87/07/14/449870714.db2.gz LFVFTXCYMKFPCK-WPRPVWTQSA-N 1 1 333.435 1.726 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000597300985 449929792 /nfs/dbraw/zinc/92/97/92/449929792.db2.gz LSBOAGDJGVRSSB-CQSZACIVSA-N 1 1 348.403 1.120 20 5 EDBDMO CCn1cc(C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000609614131 450068511 /nfs/dbraw/zinc/06/85/11/450068511.db2.gz LTEAAGOYJQVHGI-HNNXBMFYSA-N 1 1 334.376 1.683 20 5 EDBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000601538448 450059780 /nfs/dbraw/zinc/05/97/80/450059780.db2.gz JUQRFVCFMILOCP-NEPJUHHUSA-N 1 1 325.315 1.992 20 5 EDBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[NH+](C2CCC2)CC1 ZINC000609594577 450062170 /nfs/dbraw/zinc/06/21/70/450062170.db2.gz UBUCAZKTFKAXGA-UHFFFAOYSA-N 1 1 333.344 1.634 20 5 EDBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC1(C)COC1 ZINC000599571552 450075603 /nfs/dbraw/zinc/07/56/03/450075603.db2.gz LFYBOOUAOWJAPF-UHFFFAOYSA-N 1 1 335.360 1.861 20 5 EDBDMO NC(=O)c1cn(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)nn1 ZINC000599574856 450076844 /nfs/dbraw/zinc/07/68/44/450076844.db2.gz FNRVQDXVVJZBGM-UHFFFAOYSA-N 1 1 348.338 1.261 20 5 EDBDMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645731 450126686 /nfs/dbraw/zinc/12/66/86/450126686.db2.gz VEZXUCFLPOHMTJ-WAAGHKOSSA-N 1 1 340.767 1.382 20 5 EDBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645731 450126690 /nfs/dbraw/zinc/12/66/90/450126690.db2.gz VEZXUCFLPOHMTJ-WAAGHKOSSA-N 1 1 340.767 1.382 20 5 EDBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645698 450126845 /nfs/dbraw/zinc/12/68/45/450126845.db2.gz SXRWVYCFINAFMO-KLPPZKSPSA-N 1 1 331.332 1.341 20 5 EDBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645698 450126849 /nfs/dbraw/zinc/12/68/49/450126849.db2.gz SXRWVYCFINAFMO-KLPPZKSPSA-N 1 1 331.332 1.341 20 5 EDBDMO O=C1[C@@H]([N@H+]2CCC[C@H](CCO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610213904 450154366 /nfs/dbraw/zinc/15/43/66/450154366.db2.gz ZBKLTTGSXJVCCF-CJNGLKHVSA-N 1 1 333.388 1.795 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000599689057 450154992 /nfs/dbraw/zinc/15/49/92/450154992.db2.gz CFQUJMOQCKSPOV-GFCCVEGCSA-N 1 1 327.406 1.356 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000599689057 450154998 /nfs/dbraw/zinc/15/49/98/450154998.db2.gz CFQUJMOQCKSPOV-GFCCVEGCSA-N 1 1 327.406 1.356 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000610240428 450158420 /nfs/dbraw/zinc/15/84/20/450158420.db2.gz HQBGISPKBFNAPM-CQSZACIVSA-N 1 1 346.431 1.802 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000610240428 450158423 /nfs/dbraw/zinc/15/84/23/450158423.db2.gz HQBGISPKBFNAPM-CQSZACIVSA-N 1 1 346.431 1.802 20 5 EDBDMO CC[C@@H]1[C@@H](C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000601776289 450233324 /nfs/dbraw/zinc/23/33/24/450233324.db2.gz IKBPRUIJWLMFGL-ZMSDIMECSA-N 1 1 335.404 1.649 20 5 EDBDMO COCC(COC)[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595534961 450214617 /nfs/dbraw/zinc/21/46/17/450214617.db2.gz KEWFYPMTYJJQEC-UHFFFAOYSA-N 1 1 341.383 1.513 20 5 EDBDMO CN(C(=O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595505015 450193095 /nfs/dbraw/zinc/19/30/95/450193095.db2.gz PHQKHEQRIYGHPO-SFHVURJKSA-N 1 1 346.431 1.975 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000619786661 450334776 /nfs/dbraw/zinc/33/47/76/450334776.db2.gz CZBRHKMRNGMGBZ-CQSZACIVSA-N 1 1 343.387 1.960 20 5 EDBDMO Cc1nc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000603421779 450294119 /nfs/dbraw/zinc/29/41/19/450294119.db2.gz CDNQTHIOXPFZPS-OAHLLOKOSA-N 1 1 349.435 1.507 20 5 EDBDMO C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000610899804 450374583 /nfs/dbraw/zinc/37/45/83/450374583.db2.gz OQHZZDAPXDMHBG-IUODEOHRSA-N 1 1 336.392 1.455 20 5 EDBDMO C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000610899804 450374586 /nfs/dbraw/zinc/37/45/86/450374586.db2.gz OQHZZDAPXDMHBG-IUODEOHRSA-N 1 1 336.392 1.455 20 5 EDBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000619488650 450488330 /nfs/dbraw/zinc/48/83/30/450488330.db2.gz RDKREWVWLFIZQB-LLVKDONJSA-N 1 1 343.405 1.224 20 5 EDBDMO COc1cc(C[NH+]2CCC(CC(N)=O)CC2)c([N+](=O)[O-])cc1F ZINC000184246438 533799605 /nfs/dbraw/zinc/79/96/05/533799605.db2.gz UVPQOKKKTJAAIL-UHFFFAOYSA-N 1 1 325.340 1.830 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000186904357 534457457 /nfs/dbraw/zinc/45/74/57/534457457.db2.gz WAZZUWVPIQRAFA-VIIAAUOXSA-N 1 1 347.415 1.912 20 5 EDBDMO Cn1cc(N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000174939226 534741446 /nfs/dbraw/zinc/74/14/46/534741446.db2.gz WSSUVDJHENFDSR-UHFFFAOYSA-N 1 1 331.376 1.529 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000174024157 527820784 /nfs/dbraw/zinc/82/07/84/527820784.db2.gz KUVFCWCXBZBRFW-ZDUSSCGKSA-N 1 1 341.433 1.866 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000174024170 527838464 /nfs/dbraw/zinc/83/84/64/527838464.db2.gz KUVFCWCXBZBRFW-CYBMUJFWSA-N 1 1 341.433 1.866 20 5 EDBDMO CCOc1ccccc1C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174740027 528722830 /nfs/dbraw/zinc/72/28/30/528722830.db2.gz XRKAUCOHRUDGHX-HNNXBMFYSA-N 1 1 334.376 1.683 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000246121711 536953149 /nfs/dbraw/zinc/95/31/49/536953149.db2.gz ILUPUMHHZFDNAP-HIFRSBDPSA-N 1 1 348.403 1.982 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000743980692 579496617 /nfs/dbraw/zinc/49/66/17/579496617.db2.gz GXSWQGZOHZZUFT-GFCCVEGCSA-N 1 1 334.376 1.442 20 5 EDBDMO C[N@H+]1CCC[C@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000731024889 578666038 /nfs/dbraw/zinc/66/60/38/578666038.db2.gz KFUISGPYMSUPGZ-GFCCVEGCSA-N 1 1 331.376 1.403 20 5 EDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000732050221 578688556 /nfs/dbraw/zinc/68/85/56/578688556.db2.gz NTVSHEBXFIEWKX-CQSZACIVSA-N 1 1 347.419 1.145 20 5 EDBDMO Cc1nn(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954120 579745161 /nfs/dbraw/zinc/74/51/61/579745161.db2.gz RCSJKXLNVHAMKO-CYBMUJFWSA-N 1 1 330.392 1.774 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000753707477 579885425 /nfs/dbraw/zinc/88/54/25/579885425.db2.gz PXPRIYASPXLPFU-DGCLKSJQSA-N 1 1 343.387 1.686 20 5 EDBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)N1CC[NH+](C)CC1)CC2 ZINC000755848178 579936486 /nfs/dbraw/zinc/93/64/86/579936486.db2.gz KYYKHNLOBIVZOT-ZDUSSCGKSA-N 1 1 332.404 1.428 20 5 EDBDMO Cc1nn(C[N@@H+](C)CCCn2ccnc2)c2ncc([N+](=O)[O-])cc12 ZINC000767760693 580198782 /nfs/dbraw/zinc/19/87/82/580198782.db2.gz ZNSCGBPPNWTWFF-UHFFFAOYSA-N 1 1 329.364 1.824 20 5 EDBDMO COc1cccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000767774242 580199149 /nfs/dbraw/zinc/19/91/49/580199149.db2.gz GDHDEMWLZGKVPZ-NWDGAFQWSA-N 1 1 335.360 1.196 20 5 EDBDMO Cc1nn(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000767781850 580199321 /nfs/dbraw/zinc/19/93/21/580199321.db2.gz LXYIGADIQPENCW-UONOGXRCSA-N 1 1 349.416 1.812 20 5 EDBDMO Cc1nn(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000767781850 580199322 /nfs/dbraw/zinc/19/93/22/580199322.db2.gz LXYIGADIQPENCW-UONOGXRCSA-N 1 1 349.416 1.812 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(CN3CCC(c4nc[nH]n4)CC3)nc2c1 ZINC000769727407 580243716 /nfs/dbraw/zinc/24/37/16/580243716.db2.gz GXBQGLLKJLDQFC-UHFFFAOYSA-N 1 1 327.348 1.969 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000770222506 580255962 /nfs/dbraw/zinc/25/59/62/580255962.db2.gz LPVZDBXWBITDCR-ZDUSSCGKSA-N 1 1 332.408 1.680 20 5 EDBDMO CC(C)c1n[nH]c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000771378693 580285366 /nfs/dbraw/zinc/28/53/66/580285366.db2.gz GZUJNVCJZLXFSE-QWRGUYRKSA-N 1 1 337.380 1.034 20 5 EDBDMO C[C@@H]1[C@H](C)N(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000771398499 580285857 /nfs/dbraw/zinc/28/58/57/580285857.db2.gz UIVDWTAHPOSKEM-NEPJUHHUSA-N 1 1 331.376 1.496 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000776578568 580421942 /nfs/dbraw/zinc/42/19/42/580421942.db2.gz GKTCFTHPCNSSII-ROUUACIJSA-N 1 1 349.431 1.815 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781951642 580561181 /nfs/dbraw/zinc/56/11/81/580561181.db2.gz ZQUVLLRXKIRXNC-BDJLRTHQSA-N 1 1 344.371 1.441 20 5 EDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)NC ZINC000782481978 580575676 /nfs/dbraw/zinc/57/56/76/580575676.db2.gz HPNPDGDVVXWUHU-UHFFFAOYSA-N 1 1 326.328 1.130 20 5 EDBDMO Cc1cc(C(=O)NCC(=O)NCC[N@@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000783919541 580608314 /nfs/dbraw/zinc/60/83/14/580608314.db2.gz RDMILDMZIZOKQU-ZDUSSCGKSA-N 1 1 348.403 1.234 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000788604912 580725715 /nfs/dbraw/zinc/72/57/15/580725715.db2.gz NFCZYZBPRFAZGX-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000788604912 580725716 /nfs/dbraw/zinc/72/57/16/580725716.db2.gz NFCZYZBPRFAZGX-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000793598830 580848688 /nfs/dbraw/zinc/84/86/88/580848688.db2.gz PAHZOODRXZGIPZ-KRWDZBQOSA-N 1 1 344.371 1.874 20 5 EDBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000793598830 580848689 /nfs/dbraw/zinc/84/86/89/580848689.db2.gz PAHZOODRXZGIPZ-KRWDZBQOSA-N 1 1 344.371 1.874 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)OCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000796251187 580949143 /nfs/dbraw/zinc/94/91/43/580949143.db2.gz ASRHXPMGPXPSFG-UHFFFAOYSA-N 1 1 326.353 1.320 20 5 EDBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000800606723 581055611 /nfs/dbraw/zinc/05/56/11/581055611.db2.gz FFOHRAYNDFKORA-JTQLQIEISA-N 1 1 338.339 1.049 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000891011162 590912854 /nfs/dbraw/zinc/91/28/54/590912854.db2.gz HRPLYUBCXYMJOB-UHFFFAOYSA-N 1 1 334.376 1.394 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000891011162 590912856 /nfs/dbraw/zinc/91/28/56/590912856.db2.gz HRPLYUBCXYMJOB-UHFFFAOYSA-N 1 1 334.376 1.394 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888977760 591051215 /nfs/dbraw/zinc/05/12/15/591051215.db2.gz NBSQEBYIKAHTBW-UHFFFAOYSA-N 1 1 334.420 1.531 20 5 EDBDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000898461320 591363255 /nfs/dbraw/zinc/36/32/55/591363255.db2.gz GIZRMOFBQVCGRO-AWEZNQCLSA-N 1 1 330.344 1.802 20 5 EDBDMO CC[N@H+]1CCO[C@H](C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000898461320 591363260 /nfs/dbraw/zinc/36/32/60/591363260.db2.gz GIZRMOFBQVCGRO-AWEZNQCLSA-N 1 1 330.344 1.802 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000896431053 591459324 /nfs/dbraw/zinc/45/93/24/591459324.db2.gz JYHCSJFTUGGBFN-GXTWGEPZSA-N 1 1 347.419 1.875 20 5 EDBDMO C[NH+]1CCC2(CCN2c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000897136460 591751659 /nfs/dbraw/zinc/75/16/59/591751659.db2.gz COTUSMBRLLCTGZ-UHFFFAOYSA-N 1 1 339.417 1.673 20 5 EDBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)c21 ZINC000897221634 591776617 /nfs/dbraw/zinc/77/66/17/591776617.db2.gz NYHXVZUEJMAKSQ-UONOGXRCSA-N 1 1 343.387 1.573 20 5 EDBDMO CCc1nn(C)c(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895565789 591807645 /nfs/dbraw/zinc/80/76/45/591807645.db2.gz DBWONXGONGOGKS-VXGBXAGGSA-N 1 1 325.438 1.882 20 5 EDBDMO CCc1nn(C)c(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895565789 591807646 /nfs/dbraw/zinc/80/76/46/591807646.db2.gz DBWONXGONGOGKS-VXGBXAGGSA-N 1 1 325.438 1.882 20 5 EDBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000902635618 592033264 /nfs/dbraw/zinc/03/32/64/592033264.db2.gz BAUUQMINLIGKKG-UONOGXRCSA-N 1 1 348.359 1.430 20 5 EDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000902635618 592033267 /nfs/dbraw/zinc/03/32/67/592033267.db2.gz BAUUQMINLIGKKG-UONOGXRCSA-N 1 1 348.359 1.430 20 5 EDBDMO Cc1cc(F)cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000900811814 592132901 /nfs/dbraw/zinc/13/29/01/592132901.db2.gz OKXQKXAZANVWNN-RISCZKNCSA-N 1 1 338.383 1.406 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC[N@@H+]1C ZINC000906813969 592338943 /nfs/dbraw/zinc/33/89/43/592338943.db2.gz GHPJTHCJXKHDGZ-LLVKDONJSA-N 1 1 335.360 1.532 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC[N@H+]1C ZINC000906813969 592338947 /nfs/dbraw/zinc/33/89/47/592338947.db2.gz GHPJTHCJXKHDGZ-LLVKDONJSA-N 1 1 335.360 1.532 20 5 EDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908573769 592544835 /nfs/dbraw/zinc/54/48/35/592544835.db2.gz PQGLCVQRUUJDBS-UHFFFAOYSA-N 1 1 335.408 1.971 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908573769 592544836 /nfs/dbraw/zinc/54/48/36/592544836.db2.gz PQGLCVQRUUJDBS-UHFFFAOYSA-N 1 1 335.408 1.971 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908573769 592544838 /nfs/dbraw/zinc/54/48/38/592544838.db2.gz PQGLCVQRUUJDBS-UHFFFAOYSA-N 1 1 335.408 1.971 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000907446717 592659783 /nfs/dbraw/zinc/65/97/83/592659783.db2.gz BURPKAILWAHLME-UHFFFAOYSA-N 1 1 326.784 1.997 20 5 EDBDMO C[C@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCc3cc([N+](=O)[O-])ccc32)O1 ZINC000906030067 592721080 /nfs/dbraw/zinc/72/10/80/592721080.db2.gz CXMUEHRKIMOZNS-BLLLJJGKSA-N 1 1 333.388 1.983 20 5 EDBDMO C[C@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCc3cc([N+](=O)[O-])ccc32)O1 ZINC000906030067 592721083 /nfs/dbraw/zinc/72/10/83/592721083.db2.gz CXMUEHRKIMOZNS-BLLLJJGKSA-N 1 1 333.388 1.983 20 5 EDBDMO CC[N@@H+](C[C@H]1CCOC1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839997571 593320801 /nfs/dbraw/zinc/32/08/01/593320801.db2.gz FGXIOHGIRAQZES-CXAGYDPISA-N 1 1 349.387 1.848 20 5 EDBDMO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000839770127 593377198 /nfs/dbraw/zinc/37/71/98/593377198.db2.gz JSRRQMJYEKLONQ-OAGGEKHMSA-N 1 1 335.404 1.858 20 5 EDBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000816681698 593540148 /nfs/dbraw/zinc/54/01/48/593540148.db2.gz DUBRZOYYTYAXNQ-LBPRGKRZSA-N 1 1 348.403 1.502 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000816953588 593563230 /nfs/dbraw/zinc/56/32/30/593563230.db2.gz JYCOWTZEHXAEKE-PRHODGIISA-N 1 1 333.373 1.376 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)CNC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000819172361 593742703 /nfs/dbraw/zinc/74/27/03/593742703.db2.gz DKAFZWRPQDOOJG-RCCFBDPRSA-N 1 1 349.431 1.596 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000820459445 593820148 /nfs/dbraw/zinc/82/01/48/593820148.db2.gz SACZXFXPOWSPES-CABCVRRESA-N 1 1 334.376 1.112 20 5 EDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000822160391 594002441 /nfs/dbraw/zinc/00/24/41/594002441.db2.gz RYTACLOXGQUPKU-LBPRGKRZSA-N 1 1 339.367 1.192 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000822160391 594002443 /nfs/dbraw/zinc/00/24/43/594002443.db2.gz RYTACLOXGQUPKU-LBPRGKRZSA-N 1 1 339.367 1.192 20 5 EDBDMO CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821332463 594019999 /nfs/dbraw/zinc/01/99/99/594019999.db2.gz PVHCHBHNIYYKRK-FPMFFAJLSA-N 1 1 346.387 1.332 20 5 EDBDMO CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821332463 594020002 /nfs/dbraw/zinc/02/00/02/594020002.db2.gz PVHCHBHNIYYKRK-FPMFFAJLSA-N 1 1 346.387 1.332 20 5 EDBDMO CC(C)(CCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[N+](=O)[O-] ZINC000823238119 594173954 /nfs/dbraw/zinc/17/39/54/594173954.db2.gz JWCUEOHAFUMUCZ-AWEZNQCLSA-N 1 1 327.425 1.535 20 5 EDBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000823619762 594222028 /nfs/dbraw/zinc/22/20/28/594222028.db2.gz APZOCEREYPFMJY-VIFPVBQESA-N 1 1 330.352 1.066 20 5 EDBDMO Cc1cccc(NCCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000826574514 594530789 /nfs/dbraw/zinc/53/07/89/594530789.db2.gz SMNYRNFPSQMOAS-OAHLLOKOSA-N 1 1 330.344 1.560 20 5 EDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831416061 594626774 /nfs/dbraw/zinc/62/67/74/594626774.db2.gz KHFOJWYASHXERO-LSDHHAIUSA-N 1 1 335.404 1.865 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)n1 ZINC000832048662 594722061 /nfs/dbraw/zinc/72/20/61/594722061.db2.gz WWVLIKWDZJOYKP-KGLIPLIRSA-N 1 1 336.392 1.799 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000832297078 594740869 /nfs/dbraw/zinc/74/08/69/594740869.db2.gz CDAWBHBPVJTFPP-CYZMBNFOSA-N 1 1 334.294 1.873 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000832297080 594740953 /nfs/dbraw/zinc/74/09/53/594740953.db2.gz CDAWBHBPVJTFPP-RAIGVLPGSA-N 1 1 334.294 1.873 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836600703 594978397 /nfs/dbraw/zinc/97/83/97/594978397.db2.gz YLWUNMAYLOEVRQ-SNVBAGLBSA-N 1 1 342.783 1.779 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836600703 594978399 /nfs/dbraw/zinc/97/83/99/594978399.db2.gz YLWUNMAYLOEVRQ-SNVBAGLBSA-N 1 1 342.783 1.779 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@@H]21 ZINC000836849859 595004336 /nfs/dbraw/zinc/00/43/36/595004336.db2.gz RBWWIJYBFDOIRV-DYVFJYSZSA-N 1 1 344.415 1.971 20 5 EDBDMO COc1ccc([C@@H]2[C@@H](COC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[N@H+]2C)cc1 ZINC000842305693 595072973 /nfs/dbraw/zinc/07/29/73/595072973.db2.gz AGVYEJNWVZPWQG-DTZQCDIJSA-N 1 1 334.372 1.896 20 5 EDBDMO COc1ccc([C@@H]2[C@@H](COC(=O)[C@@H]3CC3[N+](=O)[O-])CC[N@@H+]2C)cc1 ZINC000842305693 595072977 /nfs/dbraw/zinc/07/29/77/595072977.db2.gz AGVYEJNWVZPWQG-DTZQCDIJSA-N 1 1 334.372 1.896 20 5 EDBDMO COc1ccc([C@@H]2[C@@H](COC(=O)[C@@H]3CC3[N+](=O)[O-])CC[N@H+]2C)cc1 ZINC000842305693 595072980 /nfs/dbraw/zinc/07/29/80/595072980.db2.gz AGVYEJNWVZPWQG-DTZQCDIJSA-N 1 1 334.372 1.896 20 5 EDBDMO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c(N)c([N+](=O)[O-])c1 ZINC000834596591 595171310 /nfs/dbraw/zinc/17/13/10/595171310.db2.gz ADEKGEFKGOCFOU-STQMWFEESA-N 1 1 336.367 1.744 20 5 EDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000843791504 595187019 /nfs/dbraw/zinc/18/70/19/595187019.db2.gz LAZYZCILFDUWEF-UHFFFAOYSA-N 1 1 339.367 1.571 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000855162420 595617391 /nfs/dbraw/zinc/61/73/91/595617391.db2.gz JJFVPXJDLQMAJA-WFASDCNBSA-N 1 1 335.404 1.865 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000853538494 595790477 /nfs/dbraw/zinc/79/04/77/595790477.db2.gz HLHDAORNHXWOMY-ZDUSSCGKSA-N 1 1 345.359 1.737 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000853538494 595790481 /nfs/dbraw/zinc/79/04/81/595790481.db2.gz HLHDAORNHXWOMY-ZDUSSCGKSA-N 1 1 345.359 1.737 20 5 EDBDMO COc1cccc(C(=O)OC[C@]2(C)C[C@@H](OC)C[N@H+]2C)c1[N+](=O)[O-] ZINC000861354221 595960349 /nfs/dbraw/zinc/96/03/49/595960349.db2.gz XZXUUFNCTDSZBI-BZNIZROVSA-N 1 1 338.360 1.869 20 5 EDBDMO O=C1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000852494583 596181665 /nfs/dbraw/zinc/18/16/65/596181665.db2.gz HJLPLLYNFZYFNH-MFKMUULPSA-N 1 1 334.332 1.604 20 5 EDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000852494583 596181667 /nfs/dbraw/zinc/18/16/67/596181667.db2.gz HJLPLLYNFZYFNH-MFKMUULPSA-N 1 1 334.332 1.604 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cc([N+](=O)[O-])ccc1F ZINC000854743751 596184440 /nfs/dbraw/zinc/18/44/40/596184440.db2.gz OWSQIOVPVUMHQX-LBPRGKRZSA-N 1 1 325.340 1.311 20 5 EDBDMO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852680250 596226548 /nfs/dbraw/zinc/22/65/48/596226548.db2.gz PXBHHUVVCAMMEP-LBPRGKRZSA-N 1 1 348.359 1.947 20 5 EDBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852680250 596226550 /nfs/dbraw/zinc/22/65/50/596226550.db2.gz PXBHHUVVCAMMEP-LBPRGKRZSA-N 1 1 348.359 1.947 20 5 EDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000863316333 596548644 /nfs/dbraw/zinc/54/86/44/596548644.db2.gz MAGJTQNMLHRGPW-CQSZACIVSA-N 1 1 329.356 1.544 20 5 EDBDMO C[S@](=O)CCN1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000865554372 596609804 /nfs/dbraw/zinc/60/98/04/596609804.db2.gz YLGBIQNLCNGVHK-DEOSSOPVSA-N 1 1 348.428 1.644 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000867974828 596641025 /nfs/dbraw/zinc/64/10/25/596641025.db2.gz WOOPLQGJMPNDJA-FDQGKXFDSA-N 1 1 346.431 1.711 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000868233629 596738610 /nfs/dbraw/zinc/73/86/10/596738610.db2.gz XRRUDYVRFAZICP-CJNGLKHVSA-N 1 1 348.403 1.709 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC[C@H]21 ZINC000866205727 596827110 /nfs/dbraw/zinc/82/71/10/596827110.db2.gz GZLQJAWHKLZCSQ-GXFFZTMASA-N 1 1 329.360 1.774 20 5 EDBDMO C[NH+]1CCN(C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000866211232 596829375 /nfs/dbraw/zinc/82/93/75/596829375.db2.gz CLZRMRBFBCLTSR-UHFFFAOYSA-N 1 1 339.827 1.859 20 5 EDBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)N1CCN(C)CC1 ZINC000866259321 596840518 /nfs/dbraw/zinc/84/05/18/596840518.db2.gz AMMGLNWOUCPUDK-KBPBESRZSA-N 1 1 338.427 1.890 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000874366392 597038424 /nfs/dbraw/zinc/03/84/24/597038424.db2.gz HSHYVFQDGHSQFW-LSDHHAIUSA-N 1 1 346.387 1.537 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000874847501 597199314 /nfs/dbraw/zinc/19/93/14/597199314.db2.gz PEAHWWZTFQHEAM-STQMWFEESA-N 1 1 347.371 1.675 20 5 EDBDMO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 ZINC000877714208 597550056 /nfs/dbraw/zinc/55/00/56/597550056.db2.gz KYLNRINRTZFWEM-MRXNPFEDSA-N 1 1 333.344 1.797 20 5 EDBDMO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 ZINC000877714208 597550057 /nfs/dbraw/zinc/55/00/57/597550057.db2.gz KYLNRINRTZFWEM-MRXNPFEDSA-N 1 1 333.344 1.797 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000878484323 597610716 /nfs/dbraw/zinc/61/07/16/597610716.db2.gz NRAZYEHCVVPJJV-UHFFFAOYSA-N 1 1 348.382 1.846 20 5 EDBDMO O=C1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CN1CC1CC1 ZINC000883011320 597616562 /nfs/dbraw/zinc/61/65/62/597616562.db2.gz QXLHHEWXAUIAIA-GFCCVEGCSA-N 1 1 326.356 1.988 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879580268 597642011 /nfs/dbraw/zinc/64/20/11/597642011.db2.gz GNANREPEAALKPB-ILXRZTDVSA-N 1 1 335.404 1.361 20 5 EDBDMO CC(C)(O)[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000879962288 597785275 /nfs/dbraw/zinc/78/52/75/597785275.db2.gz LWXXHGIXULABST-CQSZACIVSA-N 1 1 347.415 1.967 20 5 EDBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000917292369 696994496 /nfs/dbraw/zinc/99/44/96/696994496.db2.gz KJVFOPOEBWTSJY-KBPBESRZSA-N 1 1 343.387 1.688 20 5 EDBDMO Cc1conc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589395 704158740 /nfs/dbraw/zinc/15/87/40/704158740.db2.gz WZSSAKJZDFHEPH-HLPPOEQASA-N 1 1 348.403 1.319 20 5 EDBDMO Cc1conc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589395 704158743 /nfs/dbraw/zinc/15/87/43/704158743.db2.gz WZSSAKJZDFHEPH-HLPPOEQASA-N 1 1 348.403 1.319 20 5 EDBDMO Cc1conc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589395 704158745 /nfs/dbraw/zinc/15/87/45/704158745.db2.gz WZSSAKJZDFHEPH-HLPPOEQASA-N 1 1 348.403 1.319 20 5 EDBDMO COc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OC ZINC000174696475 231282216 /nfs/dbraw/zinc/28/22/16/231282216.db2.gz DNTPOJWIHDAVBS-NWDGAFQWSA-N 1 1 349.387 1.921 20 5 EDBDMO CC[C@@]1(CO)CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000187550657 529551119 /nfs/dbraw/zinc/55/11/19/529551119.db2.gz OSQNFECFLIAPOD-GOSISDBHSA-N 1 1 347.415 1.968 20 5 EDBDMO CC[C@@]1(CO)CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000187550657 529551122 /nfs/dbraw/zinc/55/11/22/529551122.db2.gz OSQNFECFLIAPOD-GOSISDBHSA-N 1 1 347.415 1.968 20 5 EDBDMO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000175078547 231380925 /nfs/dbraw/zinc/38/09/25/231380925.db2.gz JMQRLDULOORKFM-MNOVXSKESA-N 1 1 345.396 1.885 20 5 EDBDMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000067394026 215139720 /nfs/dbraw/zinc/13/97/20/215139720.db2.gz DHLOYXASFICLLF-ZDUSSCGKSA-N 1 1 348.403 1.690 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000067961022 215260570 /nfs/dbraw/zinc/26/05/70/215260570.db2.gz QUAOTGWRNOYMLR-CQSZACIVSA-N 1 1 334.376 1.572 20 5 EDBDMO COCC[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478459 306299750 /nfs/dbraw/zinc/29/97/50/306299750.db2.gz HNJWCJDCYWGNJZ-UKRRQHHQSA-N 1 1 325.409 1.493 20 5 EDBDMO COCCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478459 306299751 /nfs/dbraw/zinc/29/97/51/306299751.db2.gz HNJWCJDCYWGNJZ-UKRRQHHQSA-N 1 1 325.409 1.493 20 5 EDBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000104496641 219390249 /nfs/dbraw/zinc/39/02/49/219390249.db2.gz TZIYHKMICCXOOL-OLZOCXBDSA-N 1 1 348.403 1.123 20 5 EDBDMO CC(C)Cn1ccnc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000562997276 306314960 /nfs/dbraw/zinc/31/49/60/306314960.db2.gz WXWCZMNNDKHDLU-HNNXBMFYSA-N 1 1 348.403 1.977 20 5 EDBDMO CC(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413056401 304053569 /nfs/dbraw/zinc/05/35/69/304053569.db2.gz USFQOSIUBDKNJQ-UHFFFAOYSA-N 1 1 343.387 1.719 20 5 EDBDMO C[C@H]1CCC[N@H+]1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090564483 138279568 /nfs/dbraw/zinc/27/95/68/138279568.db2.gz VTWBYCUOUOONDH-AWEZNQCLSA-N 1 1 334.420 1.705 20 5 EDBDMO COC(=O)c1cccc(Oc2ncnc3c2C[N@@H+](C)CC3)c1[N+](=O)[O-] ZINC000413553979 304066211 /nfs/dbraw/zinc/06/62/11/304066211.db2.gz MRBZTJZPDCLXOG-UHFFFAOYSA-N 1 1 344.327 1.952 20 5 EDBDMO CC[NH+](CC)C[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565298873 306381099 /nfs/dbraw/zinc/38/10/99/306381099.db2.gz ATQBNTAWKBHTIK-CYBMUJFWSA-N 1 1 343.449 1.688 20 5 EDBDMO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000363793322 284024714 /nfs/dbraw/zinc/02/47/14/284024714.db2.gz PROOLMGWMISLFY-HZPDHXFCSA-N 1 1 333.388 1.968 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078621085 217089344 /nfs/dbraw/zinc/08/93/44/217089344.db2.gz NPPRNTURQKPDBR-UHFFFAOYSA-N 1 1 330.344 1.255 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078621085 217089345 /nfs/dbraw/zinc/08/93/45/217089345.db2.gz NPPRNTURQKPDBR-UHFFFAOYSA-N 1 1 330.344 1.255 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000247257252 139142582 /nfs/dbraw/zinc/14/25/82/139142582.db2.gz DWUKXPLNGWNKPR-IINYFYTJSA-N 1 1 331.376 1.883 20 5 EDBDMO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000247257252 139142583 /nfs/dbraw/zinc/14/25/83/139142583.db2.gz DWUKXPLNGWNKPR-IINYFYTJSA-N 1 1 331.376 1.883 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000247257252 139142584 /nfs/dbraw/zinc/14/25/84/139142584.db2.gz DWUKXPLNGWNKPR-IINYFYTJSA-N 1 1 331.376 1.883 20 5 EDBDMO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000247747519 139154882 /nfs/dbraw/zinc/15/48/82/139154882.db2.gz YKJZRNOSYXFJCW-NWDGAFQWSA-N 1 1 334.376 1.380 20 5 EDBDMO CNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000247747519 139154883 /nfs/dbraw/zinc/15/48/83/139154883.db2.gz YKJZRNOSYXFJCW-NWDGAFQWSA-N 1 1 334.376 1.380 20 5 EDBDMO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)ccc1[N+](=O)[O-] ZINC000261638593 291709597 /nfs/dbraw/zinc/70/95/97/291709597.db2.gz BUZZYLKXOGUNDU-AWEZNQCLSA-N 1 1 329.360 1.423 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112198399 220259436 /nfs/dbraw/zinc/25/94/36/220259436.db2.gz LZIVHFQCXAIODG-CQSZACIVSA-N 1 1 348.403 1.483 20 5 EDBDMO 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C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000425067931 252297120 /nfs/dbraw/zinc/29/71/20/252297120.db2.gz SMSPGOLSCCHPKY-ZUZCIYMTSA-N 1 1 339.342 1.968 20 5 EDBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000371801449 285083723 /nfs/dbraw/zinc/08/37/23/285083723.db2.gz GQLHRPGIRFQERF-JTQLQIEISA-N 1 1 343.181 1.273 20 5 EDBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000371801449 285083724 /nfs/dbraw/zinc/08/37/24/285083724.db2.gz GQLHRPGIRFQERF-JTQLQIEISA-N 1 1 343.181 1.273 20 5 EDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000263674449 139351831 /nfs/dbraw/zinc/35/18/31/139351831.db2.gz GZANQURCQCVCRW-CQSZACIVSA-N 1 1 332.404 1.585 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000108874313 285225115 /nfs/dbraw/zinc/22/51/15/285225115.db2.gz HKOUPKZEPQGERT-UHFFFAOYSA-N 1 1 331.369 1.450 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000108874313 285225118 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Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416392808 304315117 /nfs/dbraw/zinc/31/51/17/304315117.db2.gz ROTVRMSFLJAXCS-GFCCVEGCSA-N 1 1 339.417 1.727 20 5 EDBDMO Cn1c(C(=O)N2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000345503844 143099282 /nfs/dbraw/zinc/09/92/82/143099282.db2.gz AXBIUPVXYKMNOK-UHFFFAOYSA-N 1 1 342.399 1.934 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)c1C ZINC000416495420 304324579 /nfs/dbraw/zinc/32/45/79/304324579.db2.gz LUJNJBXUUIJNAI-LBPRGKRZSA-N 1 1 327.406 1.442 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000416494474 304324361 /nfs/dbraw/zinc/32/43/61/304324361.db2.gz IVJFMJIBEBIXPU-LBPRGKRZSA-N 1 1 327.406 1.442 20 5 EDBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000355101907 150116694 /nfs/dbraw/zinc/11/66/94/150116694.db2.gz KJJLXOJUELMGND-ZDUSSCGKSA-N 1 1 334.376 1.510 20 5 EDBDMO C[C@@H]1C[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000355636864 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20 5 EDBDMO C[N@H+]1CCO[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000357631752 277131786 /nfs/dbraw/zinc/13/17/86/277131786.db2.gz SQLZQLZURVOSTN-OLZOCXBDSA-N 1 1 331.332 1.164 20 5 EDBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C1([NH+]2CCOCC2)CCCC1 ZINC000378148331 278330750 /nfs/dbraw/zinc/33/07/50/278330750.db2.gz ZMGWOQWCVWAJRO-CYBMUJFWSA-N 1 1 348.403 1.753 20 5 EDBDMO Cc1c(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000286754071 288078512 /nfs/dbraw/zinc/07/85/12/288078512.db2.gz LXAUUUQLRCRZAM-CABCVRRESA-N 1 1 343.387 1.338 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000066579341 279291123 /nfs/dbraw/zinc/29/11/23/279291123.db2.gz MWGUMTHVPMCSDJ-UHFFFAOYSA-N 1 1 347.824 1.965 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000066579341 279291124 /nfs/dbraw/zinc/29/11/24/279291124.db2.gz MWGUMTHVPMCSDJ-UHFFFAOYSA-N 1 1 347.824 1.965 20 5 EDBDMO COc1ccc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000292388972 289333586 /nfs/dbraw/zinc/33/35/86/289333586.db2.gz ZQLJJKLTQYUGEG-GFCCVEGCSA-N 1 1 343.405 1.069 20 5 EDBDMO COc1ccc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000292388972 289333588 /nfs/dbraw/zinc/33/35/88/289333588.db2.gz ZQLJJKLTQYUGEG-GFCCVEGCSA-N 1 1 343.405 1.069 20 5 EDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCC2OCCCO2)CC1 ZINC000293067264 289512442 /nfs/dbraw/zinc/51/24/42/289512442.db2.gz IUMPFEGMMXMHSN-UHFFFAOYSA-N 1 1 349.387 1.506 20 5 EDBDMO C[N@H+]1CCO[C@@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC000343279552 290088230 /nfs/dbraw/zinc/08/82/30/290088230.db2.gz JIVGNYADOMFMRB-UONOGXRCSA-N 1 1 329.360 1.447 20 5 EDBDMO COc1cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000295120729 303175614 /nfs/dbraw/zinc/17/56/14/303175614.db2.gz MIVGVKWSDFPCDZ-RNCFNFMXSA-N 1 1 337.351 1.955 20 5 EDBDMO COCCOC[C@@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000296874878 303344018 /nfs/dbraw/zinc/34/40/18/303344018.db2.gz WMOGZKKKQWXBGP-ZDUSSCGKSA-N 1 1 332.784 1.704 20 5 EDBDMO COCCOC[C@@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000296874878 303344021 /nfs/dbraw/zinc/34/40/21/303344021.db2.gz WMOGZKKKQWXBGP-ZDUSSCGKSA-N 1 1 332.784 1.704 20 5 EDBDMO Cc1nc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000296929075 303347455 /nfs/dbraw/zinc/34/74/55/303347455.db2.gz BDKTTXFXZGRHHD-MRXNPFEDSA-N 1 1 343.387 1.549 20 5 EDBDMO CCn1cc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)cn1 ZINC000297116806 303360989 /nfs/dbraw/zinc/36/09/89/303360989.db2.gz MDIPFMASXCCMBT-UHFFFAOYSA-N 1 1 345.407 1.622 20 5 EDBDMO CCn1cc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)cn1 ZINC000297116806 303360991 /nfs/dbraw/zinc/36/09/91/303360991.db2.gz MDIPFMASXCCMBT-UHFFFAOYSA-N 1 1 345.407 1.622 20 5 EDBDMO CNC(=O)[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430284173 305049605 /nfs/dbraw/zinc/04/96/05/305049605.db2.gz MODOXXOOWBFGLR-PXAZEXFGSA-N 1 1 348.403 1.688 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430939015 305069433 /nfs/dbraw/zinc/06/94/33/305069433.db2.gz JYDUVCIVPLWQNL-AAEUAGOBSA-N 1 1 336.392 1.601 20 5 EDBDMO Cc1c(C(=O)N2CCC([N@H+](C)C[C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000444350429 305246565 /nfs/dbraw/zinc/24/65/65/305246565.db2.gz HQCQEWNDKVNEKB-GFCCVEGCSA-N 1 1 335.404 1.820 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)CSc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000448037228 305291164 /nfs/dbraw/zinc/29/11/64/305291164.db2.gz CQGVPFIQHLAKKR-NTZNESFSSA-N 1 1 327.406 1.552 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H](O)CSc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000448037228 305291165 /nfs/dbraw/zinc/29/11/65/305291165.db2.gz CQGVPFIQHLAKKR-NTZNESFSSA-N 1 1 327.406 1.552 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cc(F)cc([N+](=O)[O-])c1 ZINC000452346576 305390718 /nfs/dbraw/zinc/39/07/18/305390718.db2.gz GYJWBLWHLVTUPT-ZDUSSCGKSA-N 1 1 325.340 1.311 20 5 EDBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000548414339 306127496 /nfs/dbraw/zinc/12/74/96/306127496.db2.gz QMFYKRFXGCWNCD-UTUOFQBUSA-N 1 1 337.380 1.032 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000046035268 441071653 /nfs/dbraw/zinc/07/16/53/441071653.db2.gz JPLDVDOZTZAENZ-LBPRGKRZSA-N 1 1 341.433 1.913 20 5 EDBDMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000104748832 441203710 /nfs/dbraw/zinc/20/37/10/441203710.db2.gz YOXQCZUHBMGMOX-JTQLQIEISA-N 1 1 347.824 1.820 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072830388 441265028 /nfs/dbraw/zinc/26/50/28/441265028.db2.gz JHVXPPGGSWZEAH-SJKOYZFVSA-N 1 1 346.387 1.524 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072830388 441265034 /nfs/dbraw/zinc/26/50/34/441265034.db2.gz JHVXPPGGSWZEAH-SJKOYZFVSA-N 1 1 346.387 1.524 20 5 EDBDMO O=C(C[N@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000073605336 441332534 /nfs/dbraw/zinc/33/25/34/441332534.db2.gz CWTMLBAIUIJUPL-UHFFFAOYSA-N 1 1 346.431 1.725 20 5 EDBDMO O=C(C[N@@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000073605336 441332537 /nfs/dbraw/zinc/33/25/37/441332537.db2.gz CWTMLBAIUIJUPL-UHFFFAOYSA-N 1 1 346.431 1.725 20 5 EDBDMO COCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000048426229 441304431 /nfs/dbraw/zinc/30/44/31/441304431.db2.gz NSUBHRXVOXDRIJ-UHFFFAOYSA-N 1 1 337.376 1.398 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000063865788 441359688 /nfs/dbraw/zinc/35/96/88/441359688.db2.gz DEAAZASVFTXMNT-CYBMUJFWSA-N 1 1 348.403 1.173 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000108718297 441472366 /nfs/dbraw/zinc/47/23/66/441472366.db2.gz QASAQLZNLBDWDL-CYBMUJFWSA-N 1 1 327.406 1.499 20 5 EDBDMO C[C@@H]1C[N@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000032926985 441578806 /nfs/dbraw/zinc/57/88/06/441578806.db2.gz GTWOJLKWJRDDOP-OKILXGFUSA-N 1 1 335.404 1.753 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CCO)c1ccccc1 ZINC000090550917 441633381 /nfs/dbraw/zinc/63/33/81/441633381.db2.gz RIPYJVFVPWSKGN-INIZCTEOSA-N 1 1 331.372 1.812 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000076776686 441684565 /nfs/dbraw/zinc/68/45/65/441684565.db2.gz OMDPXYGVODRTBA-UHFFFAOYSA-N 1 1 344.419 1.688 20 5 EDBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173414663 441742018 /nfs/dbraw/zinc/74/20/18/441742018.db2.gz YVUREKZVIHJENY-JTQLQIEISA-N 1 1 331.369 1.449 20 5 EDBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173414663 441742020 /nfs/dbraw/zinc/74/20/20/441742020.db2.gz YVUREKZVIHJENY-JTQLQIEISA-N 1 1 331.369 1.449 20 5 EDBDMO COC(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000068935838 441871460 /nfs/dbraw/zinc/87/14/60/441871460.db2.gz AQNLQGPHTCFGSX-LBPRGKRZSA-N 1 1 349.387 1.842 20 5 EDBDMO CCc1ccc(C(=O)N(C)CCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000174216648 441904826 /nfs/dbraw/zinc/90/48/26/441904826.db2.gz KHFXPXUXWMJNIK-UHFFFAOYSA-N 1 1 348.447 1.867 20 5 EDBDMO C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCOCC1 ZINC000078343433 441921941 /nfs/dbraw/zinc/92/19/41/441921941.db2.gz NEPSWTRBEWYPNM-CQSZACIVSA-N 1 1 329.784 1.743 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000069129166 441895411 /nfs/dbraw/zinc/89/54/11/441895411.db2.gz ISIBHNSMWPATRP-LLVKDONJSA-N 1 1 327.406 1.664 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000069129275 441896235 /nfs/dbraw/zinc/89/62/35/441896235.db2.gz XAUSXCIJEMWJGZ-NSHDSACASA-N 1 1 327.406 1.664 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000069143791 441897974 /nfs/dbraw/zinc/89/79/74/441897974.db2.gz DEAAZASVFTXMNT-ZDUSSCGKSA-N 1 1 348.403 1.173 20 5 EDBDMO COc1ccc(CC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000069547062 441972281 /nfs/dbraw/zinc/97/22/81/441972281.db2.gz ZTCOHODSUOLFCH-ZDUSSCGKSA-N 1 1 333.388 1.746 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000078583874 441947031 /nfs/dbraw/zinc/94/70/31/441947031.db2.gz PQGGXWGZXWNXFO-GFCCVEGCSA-N 1 1 341.433 1.776 20 5 EDBDMO NC(=O)C[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000175221564 442021046 /nfs/dbraw/zinc/02/10/46/442021046.db2.gz LIHXXUIIVDIGFE-IUODEOHRSA-N 1 1 346.387 1.288 20 5 EDBDMO COC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000120831067 442139950 /nfs/dbraw/zinc/13/99/50/442139950.db2.gz BPIWRYVVFJOXPG-ABAIWWIYSA-N 1 1 349.387 1.794 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000172017551 442399611 /nfs/dbraw/zinc/39/96/11/442399611.db2.gz IHKJABHGTRCSSI-LBPRGKRZSA-N 1 1 341.433 1.913 20 5 EDBDMO Cc1nn(C)c(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000154838240 442359557 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ZINC000285464482 443995500 /nfs/dbraw/zinc/99/55/00/443995500.db2.gz ZNUYHURLVGXMOP-UHFFFAOYSA-N 1 1 331.376 1.750 20 5 EDBDMO COCCOCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000289014580 444034818 /nfs/dbraw/zinc/03/48/18/444034818.db2.gz NKRMYRHRPPWYAN-UHFFFAOYSA-N 1 1 339.392 1.827 20 5 EDBDMO Cc1ccc2c(c1)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000285584977 444038254 /nfs/dbraw/zinc/03/82/54/444038254.db2.gz OONBOYLAYRSKRF-HNNXBMFYSA-N 1 1 332.360 1.355 20 5 EDBDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000285499661 444008679 /nfs/dbraw/zinc/00/86/79/444008679.db2.gz FCWOYLOWQSDBFH-GFCCVEGCSA-N 1 1 325.369 1.392 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CN(C)CCC[N@@H+](C)CCN(C)C ZINC000289169412 444068527 /nfs/dbraw/zinc/06/85/27/444068527.db2.gz FEYIEMSUNRAGPD-UHFFFAOYSA-N 1 1 338.452 1.919 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@H]2C1 ZINC000285723286 444085413 /nfs/dbraw/zinc/08/54/13/444085413.db2.gz JXSHPPXAIGHJAA-UONOGXRCSA-N 1 1 339.779 1.793 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285734447 444090342 /nfs/dbraw/zinc/09/03/42/444090342.db2.gz KQCWLYMRHCYDDR-HOTGVXAUSA-N 1 1 348.403 1.328 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000285869124 444135575 /nfs/dbraw/zinc/13/55/75/444135575.db2.gz IYBCPBWNOGNHAN-CJNGLKHVSA-N 1 1 335.404 1.898 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])cn(Cc2cn3cccc(C)c3[nH+]2)c1=O ZINC000574624266 321492700 /nfs/dbraw/zinc/49/27/00/321492700.db2.gz HWJXBMSITZXGGC-UHFFFAOYSA-N 1 1 342.311 1.548 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289632585 444183741 /nfs/dbraw/zinc/18/37/41/444183741.db2.gz KNVXSGQCGZKEPG-UHFFFAOYSA-N 1 1 330.772 1.684 20 5 EDBDMO COC(=O)c1cc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc(C)c1[N+](=O)[O-] ZINC000301742888 444188073 /nfs/dbraw/zinc/18/80/73/444188073.db2.gz FRZBKIPMUWXJQP-BXUZGUMPSA-N 1 1 337.376 1.821 20 5 EDBDMO COC(=O)c1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc(C)c1[N+](=O)[O-] ZINC000301742888 444188076 /nfs/dbraw/zinc/18/80/76/444188076.db2.gz FRZBKIPMUWXJQP-BXUZGUMPSA-N 1 1 337.376 1.821 20 5 EDBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000296366348 444223904 /nfs/dbraw/zinc/22/39/04/444223904.db2.gz RFIWTCNRLJXXIJ-MRXNPFEDSA-N 1 1 338.360 1.485 20 5 EDBDMO COc1cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])cc1OC ZINC000325304575 444364397 /nfs/dbraw/zinc/36/43/97/444364397.db2.gz VGRVDCVVYYPLTR-NEPJUHHUSA-N 1 1 337.376 1.887 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000298067081 444404592 /nfs/dbraw/zinc/40/45/92/444404592.db2.gz JGBHWLUZYHSCTO-CYBMUJFWSA-N 1 1 348.403 1.751 20 5 EDBDMO CCCCN1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000580640513 322077116 /nfs/dbraw/zinc/07/71/16/322077116.db2.gz BLNPINCWCRGLGA-HNNXBMFYSA-N 1 1 325.413 1.006 20 5 EDBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000581070912 322132172 /nfs/dbraw/zinc/13/21/72/322132172.db2.gz ASDXKGRHQFUVSA-NSHDSACASA-N 1 1 338.389 1.714 20 5 EDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000332218234 444505337 /nfs/dbraw/zinc/50/53/37/444505337.db2.gz LGDDHFHMVLHGRS-SNVBAGLBSA-N 1 1 330.344 1.625 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000332218234 444505341 /nfs/dbraw/zinc/50/53/41/444505341.db2.gz LGDDHFHMVLHGRS-SNVBAGLBSA-N 1 1 330.344 1.625 20 5 EDBDMO C[C@H](SC[C@@H]1C[N@H+](C)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000581824142 322221218 /nfs/dbraw/zinc/22/12/18/322221218.db2.gz ZDVSOXZNYQJKSS-FZMZJTMJSA-N 1 1 339.417 1.986 20 5 EDBDMO C[C@H](SC[C@@H]1C[N@@H+](C)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000581824142 322221220 /nfs/dbraw/zinc/22/12/20/322221220.db2.gz ZDVSOXZNYQJKSS-FZMZJTMJSA-N 1 1 339.417 1.986 20 5 EDBDMO C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000343887752 444647500 /nfs/dbraw/zinc/64/75/00/444647500.db2.gz VLYLBGYJPMUXNA-SNVBAGLBSA-N 1 1 347.412 1.989 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343972752 444702710 /nfs/dbraw/zinc/70/27/10/444702710.db2.gz OUOWTDFYZOSEDV-WCQYABFASA-N 1 1 327.406 1.664 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343972752 444702711 /nfs/dbraw/zinc/70/27/11/444702711.db2.gz OUOWTDFYZOSEDV-WCQYABFASA-N 1 1 327.406 1.664 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1C ZINC000343975631 444705024 /nfs/dbraw/zinc/70/50/24/444705024.db2.gz IVNXAQOOGYYEPZ-CHWSQXEVSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1C ZINC000343975631 444705029 /nfs/dbraw/zinc/70/50/29/444705029.db2.gz IVNXAQOOGYYEPZ-CHWSQXEVSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1sc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000342517452 444727312 /nfs/dbraw/zinc/72/73/12/444727312.db2.gz VFWRFVXNQPMCEH-KOLCDFICSA-N 1 1 347.462 1.925 20 5 EDBDMO CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](C)C1 ZINC000342433612 444689982 /nfs/dbraw/zinc/68/99/82/444689982.db2.gz IABYQHOFTXBMBM-JTQLQIEISA-N 1 1 327.331 1.968 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)n2)cc1 ZINC000344031698 444740153 /nfs/dbraw/zinc/74/01/53/444740153.db2.gz CUANVGKVBXKIDT-FPMFFAJLSA-N 1 1 330.344 1.848 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000342791357 444869590 /nfs/dbraw/zinc/86/95/90/444869590.db2.gz ULMUYZDEMOVHHX-ZDUSSCGKSA-N 1 1 348.403 1.945 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1ccnn1 ZINC000344423199 444959890 /nfs/dbraw/zinc/95/98/90/444959890.db2.gz URBKZBBWGLGDOK-CQSZACIVSA-N 1 1 344.375 1.598 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1Cn1ccnn1 ZINC000344423199 444959897 /nfs/dbraw/zinc/95/98/97/444959897.db2.gz URBKZBBWGLGDOK-CQSZACIVSA-N 1 1 344.375 1.598 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000344528491 445035725 /nfs/dbraw/zinc/03/57/25/445035725.db2.gz LQASJDYHKNIYCH-LBPRGKRZSA-N 1 1 328.390 1.660 20 5 EDBDMO C[C@@H](NC(=O)NCCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000341825346 445019346 /nfs/dbraw/zinc/01/93/46/445019346.db2.gz PMHJDZHSGXSZFW-CYBMUJFWSA-N 1 1 336.392 1.677 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000339136692 445051030 /nfs/dbraw/zinc/05/10/30/445051030.db2.gz XSXIECOPTWCEFE-GFCCVEGCSA-N 1 1 334.376 1.572 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000339136692 445051034 /nfs/dbraw/zinc/05/10/34/445051034.db2.gz XSXIECOPTWCEFE-GFCCVEGCSA-N 1 1 334.376 1.572 20 5 EDBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2[C@H](CO)CC[C@H]2CO)c1 ZINC000339196356 445083577 /nfs/dbraw/zinc/08/35/77/445083577.db2.gz AJQIYRVMMKXULY-RYUDHWBXSA-N 1 1 334.294 1.931 20 5 EDBDMO CC[N@H+](CCOCCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000337450553 445086792 /nfs/dbraw/zinc/08/67/92/445086792.db2.gz STENQYOBSNGFHQ-UHFFFAOYSA-N 1 1 325.365 1.173 20 5 EDBDMO CC[N@@H+](CCOCCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000337450553 445086796 /nfs/dbraw/zinc/08/67/96/445086796.db2.gz STENQYOBSNGFHQ-UHFFFAOYSA-N 1 1 325.365 1.173 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCCC[C@H]1CCO ZINC000342031242 445133864 /nfs/dbraw/zinc/13/38/64/445133864.db2.gz KPPHEYVMXQTVGY-GJZGRUSLSA-N 1 1 338.404 1.962 20 5 EDBDMO CN(C)c1[nH+]cc(CNc2ncnc3cccc([N+](=O)[O-])c32)n1C ZINC000347421456 445238047 /nfs/dbraw/zinc/23/80/47/445238047.db2.gz QKFXBGXHDHKQPU-UHFFFAOYSA-N 1 1 327.348 1.950 20 5 EDBDMO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000354787565 445388872 /nfs/dbraw/zinc/38/88/72/445388872.db2.gz DEYSQGMTOWIQEG-UHFFFAOYSA-N 1 1 349.366 1.969 20 5 EDBDMO COc1ccc(OCC[N@@H+](C)CCNC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000348916619 445440822 /nfs/dbraw/zinc/44/08/22/445440822.db2.gz FMTQNKJZVXEETM-UHFFFAOYSA-N 1 1 340.380 1.185 20 5 EDBDMO Cn1nccc1[C@H]1[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@H+]1C ZINC000348948857 445450776 /nfs/dbraw/zinc/45/07/76/445450776.db2.gz JPLHLEGAVPQIPA-IAQYHMDHSA-N 1 1 346.391 1.469 20 5 EDBDMO Cc1sc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000363103949 445680067 /nfs/dbraw/zinc/68/00/67/445680067.db2.gz LJYQTZCIFSWQSI-MNOVXSKESA-N 1 1 325.390 1.558 20 5 EDBDMO CC[C@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358707249 445732263 /nfs/dbraw/zinc/73/22/63/445732263.db2.gz ONQHYQCRJWXNCC-GOEBONIOSA-N 1 1 336.392 1.412 20 5 EDBDMO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000361553979 445815950 /nfs/dbraw/zinc/81/59/50/445815950.db2.gz DHQMMWSRNBMJFY-DLBZAZTESA-N 1 1 331.416 1.988 20 5 EDBDMO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361588904 445836197 /nfs/dbraw/zinc/83/61/97/445836197.db2.gz STWDDBVMUOAXKQ-SMDDNHRTSA-N 1 1 348.359 1.617 20 5 EDBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361588904 445836203 /nfs/dbraw/zinc/83/62/03/445836203.db2.gz STWDDBVMUOAXKQ-SMDDNHRTSA-N 1 1 348.359 1.617 20 5 EDBDMO CCOC(=O)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000363512927 445838977 /nfs/dbraw/zinc/83/89/77/445838977.db2.gz XQTRCHKGRIGAQE-MRXNPFEDSA-N 1 1 344.371 1.954 20 5 EDBDMO CCOC(=O)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000363512927 445838980 /nfs/dbraw/zinc/83/89/80/445838980.db2.gz XQTRCHKGRIGAQE-MRXNPFEDSA-N 1 1 344.371 1.954 20 5 EDBDMO Cc1cc(OCC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000369079839 445916019 /nfs/dbraw/zinc/91/60/19/445916019.db2.gz YLBRUDIIFLHRQG-CQSZACIVSA-N 1 1 333.388 1.979 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000350838450 445924709 /nfs/dbraw/zinc/92/47/09/445924709.db2.gz VDYPNQAJXJMRON-CHWSQXEVSA-N 1 1 341.433 1.492 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000350838450 445924713 /nfs/dbraw/zinc/92/47/13/445924713.db2.gz VDYPNQAJXJMRON-CHWSQXEVSA-N 1 1 341.433 1.492 20 5 EDBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369269034 446034067 /nfs/dbraw/zinc/03/40/67/446034067.db2.gz VHOXLCBNMLNCQE-HNNXBMFYSA-N 1 1 346.431 1.422 20 5 EDBDMO C[NH+]1CCC(N2CC[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369269034 446034069 /nfs/dbraw/zinc/03/40/69/446034069.db2.gz VHOXLCBNMLNCQE-HNNXBMFYSA-N 1 1 346.431 1.422 20 5 EDBDMO Cn1ccnc1[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000373116433 446040030 /nfs/dbraw/zinc/04/00/30/446040030.db2.gz VYELNXAPUBXXRD-ZDUSSCGKSA-N 1 1 331.376 1.370 20 5 EDBDMO CO[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000583852296 326151161 /nfs/dbraw/zinc/15/11/61/326151161.db2.gz CGSDVMWMSLSPBI-BYCMXARLSA-N 1 1 347.371 1.584 20 5 EDBDMO CO[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000583852296 326151163 /nfs/dbraw/zinc/15/11/63/326151163.db2.gz CGSDVMWMSLSPBI-BYCMXARLSA-N 1 1 347.371 1.584 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354280475 446078192 /nfs/dbraw/zinc/07/81/92/446078192.db2.gz FYCPVXZHSYGCOC-SNVBAGLBSA-N 1 1 341.389 1.118 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000354280475 446078196 /nfs/dbraw/zinc/07/81/96/446078196.db2.gz FYCPVXZHSYGCOC-SNVBAGLBSA-N 1 1 341.389 1.118 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000361935236 446083707 /nfs/dbraw/zinc/08/37/07/446083707.db2.gz BGPUAOHVLFCIQH-QMTHXVAHSA-N 1 1 329.360 1.637 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000361935236 446083711 /nfs/dbraw/zinc/08/37/11/446083711.db2.gz BGPUAOHVLFCIQH-QMTHXVAHSA-N 1 1 329.360 1.637 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000361935236 446083716 /nfs/dbraw/zinc/08/37/16/446083716.db2.gz BGPUAOHVLFCIQH-QMTHXVAHSA-N 1 1 329.360 1.637 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000356899458 446106188 /nfs/dbraw/zinc/10/61/88/446106188.db2.gz SDGDFWCIRMDWBR-RYUDHWBXSA-N 1 1 339.367 1.190 20 5 EDBDMO CNC(=O)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000365375635 446176236 /nfs/dbraw/zinc/17/62/36/446176236.db2.gz GNAVJPIRTMGVNS-UHFFFAOYSA-N 1 1 340.811 1.502 20 5 EDBDMO CNC(=O)C[N@H+]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000365375635 446176239 /nfs/dbraw/zinc/17/62/39/446176239.db2.gz GNAVJPIRTMGVNS-UHFFFAOYSA-N 1 1 340.811 1.502 20 5 EDBDMO Cc1cn2c(n1)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000373308614 446156966 /nfs/dbraw/zinc/15/69/66/446156966.db2.gz AWJQJHSMPJZOPV-UHFFFAOYSA-N 1 1 329.360 1.944 20 5 EDBDMO Cc1cn2c(n1)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000373308614 446156970 /nfs/dbraw/zinc/15/69/70/446156970.db2.gz AWJQJHSMPJZOPV-UHFFFAOYSA-N 1 1 329.360 1.944 20 5 EDBDMO CCn1nc2c(cc1=O)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000366706217 446317147 /nfs/dbraw/zinc/31/71/47/446317147.db2.gz BUNWWLYGYMEHKT-MRXNPFEDSA-N 1 1 344.371 1.263 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21 ZINC000375024811 446524311 /nfs/dbraw/zinc/52/43/11/446524311.db2.gz YADZMHCIEAMINZ-LRDDRELGSA-N 1 1 333.388 1.987 20 5 EDBDMO O=C(CC[N@@H+]1CCSC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411424884 446535201 /nfs/dbraw/zinc/53/52/01/446535201.db2.gz LXBBGUBIIVJMMS-ZDUSSCGKSA-N 1 1 325.390 1.333 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375042316 446537529 /nfs/dbraw/zinc/53/75/29/446537529.db2.gz SBFHQVXFCAQIAP-SWLSCSKDSA-N 1 1 346.387 1.394 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000367931885 446610545 /nfs/dbraw/zinc/61/05/45/446610545.db2.gz YTOGYTOYGODYME-NEPJUHHUSA-N 1 1 335.360 1.180 20 5 EDBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000420444675 446620351 /nfs/dbraw/zinc/62/03/51/446620351.db2.gz MIOQXULSDKENDC-LBPRGKRZSA-N 1 1 349.359 1.054 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@H]21 ZINC000375233255 446658938 /nfs/dbraw/zinc/65/89/38/446658938.db2.gz JPMHKKIOIUPPBZ-QMTHXVAHSA-N 1 1 329.360 1.774 20 5 EDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC000411943320 446752800 /nfs/dbraw/zinc/75/28/00/446752800.db2.gz QHLZNWZFLBELGY-GFCCVEGCSA-N 1 1 337.376 1.392 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411956794 446759242 /nfs/dbraw/zinc/75/92/42/446759242.db2.gz RLQJUTSKWDKFCX-GFCCVEGCSA-N 1 1 334.376 1.252 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411956794 446759246 /nfs/dbraw/zinc/75/92/46/446759246.db2.gz RLQJUTSKWDKFCX-GFCCVEGCSA-N 1 1 334.376 1.252 20 5 EDBDMO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CCN2C1=O ZINC000368313947 446779567 /nfs/dbraw/zinc/77/95/67/446779567.db2.gz BDMWEIAGEJIXML-AWEZNQCLSA-N 1 1 332.360 1.372 20 5 EDBDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CCN2C1=O ZINC000368313947 446779572 /nfs/dbraw/zinc/77/95/72/446779572.db2.gz BDMWEIAGEJIXML-AWEZNQCLSA-N 1 1 332.360 1.372 20 5 EDBDMO O=C(NC1CCC([NH+]2CCNCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423952867 446796315 /nfs/dbraw/zinc/79/63/15/446796315.db2.gz QLOAMZLUOUNTIR-UHFFFAOYSA-N 1 1 332.404 1.541 20 5 EDBDMO Cc1ncccc1O[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000375458884 446814251 /nfs/dbraw/zinc/81/42/51/446814251.db2.gz PAHNEJRWRWZNQR-OAHLLOKOSA-N 1 1 344.371 1.613 20 5 EDBDMO Cc1sc(C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000368419486 446850577 /nfs/dbraw/zinc/85/05/77/446850577.db2.gz LMNJODWQJUOOQF-UHFFFAOYSA-N 1 1 341.433 1.884 20 5 EDBDMO Cc1cc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000368390887 446833161 /nfs/dbraw/zinc/83/31/61/446833161.db2.gz UGWKQJQDBUNDQE-ZIAGYGMSSA-N 1 1 334.376 1.888 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1F ZINC000412233375 446906628 /nfs/dbraw/zinc/90/66/28/446906628.db2.gz TWMFDWAHTVCWID-MNOVXSKESA-N 1 1 339.367 1.836 20 5 EDBDMO CNc1nc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000454743389 446960216 /nfs/dbraw/zinc/96/02/16/446960216.db2.gz PNZCLKUHEAWQHO-NEPJUHHUSA-N 1 1 335.408 1.882 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC000420993678 446972169 /nfs/dbraw/zinc/97/21/69/446972169.db2.gz MCICOTZEJXXLKY-CABCVRRESA-N 1 1 336.388 1.714 20 5 EDBDMO Cc1cccc(NC[C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)[nH+]1 ZINC000368695693 447045868 /nfs/dbraw/zinc/04/58/68/447045868.db2.gz DYHVDEZNZZOAPM-CYBMUJFWSA-N 1 1 344.375 1.598 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000455156165 447066799 /nfs/dbraw/zinc/06/67/99/447066799.db2.gz CQBQJOAYBAHCDH-LLVKDONJSA-N 1 1 338.364 1.134 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000455156165 447066808 /nfs/dbraw/zinc/06/68/08/447066808.db2.gz CQBQJOAYBAHCDH-LLVKDONJSA-N 1 1 338.364 1.134 20 5 EDBDMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000444391154 447101060 /nfs/dbraw/zinc/10/10/60/447101060.db2.gz JHHUUJYGTUDNSG-SNVBAGLBSA-N 1 1 327.406 1.574 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455330099 447109972 /nfs/dbraw/zinc/10/99/72/447109972.db2.gz JVNAQARNYLZDHL-ZDUSSCGKSA-N 1 1 340.355 1.702 20 5 EDBDMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372714963 447240500 /nfs/dbraw/zinc/24/05/00/447240500.db2.gz MCXUTLZLVXIJNJ-QWHCGFSZSA-N 1 1 335.408 1.694 20 5 EDBDMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372714963 447240505 /nfs/dbraw/zinc/24/05/05/447240505.db2.gz MCXUTLZLVXIJNJ-QWHCGFSZSA-N 1 1 335.408 1.694 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452072703 447810483 /nfs/dbraw/zinc/81/04/83/447810483.db2.gz XOMYURFDEBQHTC-AAEUAGOBSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000524721292 447944548 /nfs/dbraw/zinc/94/45/48/447944548.db2.gz KRVLMADPVUPGMN-ZDUSSCGKSA-N 1 1 343.387 1.852 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000525211310 447978085 /nfs/dbraw/zinc/97/80/85/447978085.db2.gz HNUBQAAHPAYKLG-AWEZNQCLSA-N 1 1 335.404 1.946 20 5 EDBDMO CC[N@H+]1CCCC[C@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000530940892 447987692 /nfs/dbraw/zinc/98/76/92/447987692.db2.gz CUMGSNQONFWFKB-NSHDSACASA-N 1 1 342.421 1.529 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000525307199 447994665 /nfs/dbraw/zinc/99/46/65/447994665.db2.gz KVLJURYZTBAKAS-GFCCVEGCSA-N 1 1 341.433 1.777 20 5 EDBDMO COC(=O)c1cc(C)nc(NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000552976091 447966113 /nfs/dbraw/zinc/96/61/13/447966113.db2.gz GOUXKDYWSODVKN-NSHDSACASA-N 1 1 334.376 1.981 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000514645194 448177437 /nfs/dbraw/zinc/17/74/37/448177437.db2.gz NLZMOQIQJFDJLO-NWDGAFQWSA-N 1 1 340.405 1.095 20 5 EDBDMO CNc1nccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000557623714 448187552 /nfs/dbraw/zinc/18/75/52/448187552.db2.gz FJHYWJWNQBHZBR-UHFFFAOYSA-N 1 1 347.419 2.122 20 5 EDBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000572330986 448345407 /nfs/dbraw/zinc/34/54/07/448345407.db2.gz RAMRGFXICXLPOG-LLVKDONJSA-N 1 1 344.437 1.775 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000582881799 448365048 /nfs/dbraw/zinc/36/50/48/448365048.db2.gz UMHKZPGJTLJLPL-OAHLLOKOSA-N 1 1 344.371 1.752 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000572455542 448381264 /nfs/dbraw/zinc/38/12/64/448381264.db2.gz DVIXUPYDWQTOQK-CJNGLKHVSA-N 1 1 341.371 1.557 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2c(F)c(F)cc(F)c2F)c1 ZINC000591750255 448480205 /nfs/dbraw/zinc/48/02/05/448480205.db2.gz FRYHPDNSZVXUPP-MRVPVSSYSA-N 1 1 348.256 1.498 20 5 EDBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CN1 ZINC000579670405 448845222 /nfs/dbraw/zinc/84/52/22/448845222.db2.gz NUOVGOAJTJUIHA-NHYWBVRUSA-N 1 1 343.387 1.962 20 5 EDBDMO O=[N+]([O-])c1cccc2c1CCN(c1cc[nH+]c(N3CCOCC3)n1)C2 ZINC000546758160 448849342 /nfs/dbraw/zinc/84/93/42/448849342.db2.gz QZXRGPQZKUFSQD-UHFFFAOYSA-N 1 1 341.371 1.784 20 5 EDBDMO CN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000579854729 448897171 /nfs/dbraw/zinc/89/71/71/448897171.db2.gz JUFBYYHEFKLSPQ-HNNXBMFYSA-N 1 1 337.424 1.103 20 5 EDBDMO C[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000579854729 448897176 /nfs/dbraw/zinc/89/71/76/448897176.db2.gz JUFBYYHEFKLSPQ-HNNXBMFYSA-N 1 1 337.424 1.103 20 5 EDBDMO C[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000579854729 448897182 /nfs/dbraw/zinc/89/71/82/448897182.db2.gz JUFBYYHEFKLSPQ-HNNXBMFYSA-N 1 1 337.424 1.103 20 5 EDBDMO CNc1nccc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000521367229 448974216 /nfs/dbraw/zinc/97/42/16/448974216.db2.gz WFBDFQQKYLKXBY-UHFFFAOYSA-N 1 1 335.408 1.978 20 5 EDBDMO O=C(C[N@@H+]1CC[C@H](Cn2ccnn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595608436 449077052 /nfs/dbraw/zinc/07/70/52/449077052.db2.gz PUXXZKRYXNLYNO-LBPRGKRZSA-N 1 1 330.348 1.147 20 5 EDBDMO O=C(C[N@H+]1CC[C@H](Cn2ccnn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595608436 449077057 /nfs/dbraw/zinc/07/70/57/449077057.db2.gz PUXXZKRYXNLYNO-LBPRGKRZSA-N 1 1 330.348 1.147 20 5 EDBDMO NS(=O)(=O)c1c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000603932351 449161109 /nfs/dbraw/zinc/16/11/09/449161109.db2.gz FRCPDCWBHCXPPO-WDEREUQCSA-N 1 1 340.405 1.281 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000603930034 449161319 /nfs/dbraw/zinc/16/13/19/449161319.db2.gz FUBUMFWTALZBBT-LLVKDONJSA-N 1 1 342.421 1.386 20 5 EDBDMO Cc1nn(CCC(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000593188711 449164493 /nfs/dbraw/zinc/16/44/93/449164493.db2.gz OHXHAXUXDUQHGU-WXHSDQCUSA-N 1 1 337.424 1.738 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000593188777 449164697 /nfs/dbraw/zinc/16/46/97/449164697.db2.gz POHLZDGQQSNQBM-MGPQQGTHSA-N 1 1 334.420 1.971 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088192 449164698 /nfs/dbraw/zinc/16/46/98/449164698.db2.gz JCPWYVFSFXFDMX-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088192 449164703 /nfs/dbraw/zinc/16/47/03/449164703.db2.gz JCPWYVFSFXFDMX-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1OC ZINC000590445038 449165546 /nfs/dbraw/zinc/16/55/46/449165546.db2.gz PQJGPLQORINZNY-RISCZKNCSA-N 1 1 349.387 1.778 20 5 EDBDMO O=C(NC1CC([NH+]2CCOCC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000600068908 449170260 /nfs/dbraw/zinc/17/02/60/449170260.db2.gz MLEPQXGWHAAHDX-UHFFFAOYSA-N 1 1 344.371 1.669 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000590375493 449139174 /nfs/dbraw/zinc/13/91/74/449139174.db2.gz CBYLUMSTCIVFGM-UHFFFAOYSA-N 1 1 335.408 1.999 20 5 EDBDMO COC(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000597926340 449144837 /nfs/dbraw/zinc/14/48/37/449144837.db2.gz YXTGBTXATVGRGG-ZDUSSCGKSA-N 1 1 349.387 1.984 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595823618 449186691 /nfs/dbraw/zinc/18/66/91/449186691.db2.gz PGPDTDBKZKFFJB-CQSZACIVSA-N 1 1 336.392 1.791 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595823618 449186696 /nfs/dbraw/zinc/18/66/96/449186696.db2.gz PGPDTDBKZKFFJB-CQSZACIVSA-N 1 1 336.392 1.791 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000590563917 449191225 /nfs/dbraw/zinc/19/12/25/449191225.db2.gz VSFONUWTLODSQX-TZMCWYRMSA-N 1 1 334.376 1.112 20 5 EDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000600105427 449192012 /nfs/dbraw/zinc/19/20/12/449192012.db2.gz QLYPFXOBLYFRAF-UHFFFAOYSA-N 1 1 334.376 1.114 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)n1 ZINC000593324071 449226455 /nfs/dbraw/zinc/22/64/55/449226455.db2.gz WBAZOJJZDCTWKK-AWEZNQCLSA-N 1 1 343.387 1.327 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)n1 ZINC000593324071 449226461 /nfs/dbraw/zinc/22/64/61/449226461.db2.gz WBAZOJJZDCTWKK-AWEZNQCLSA-N 1 1 343.387 1.327 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000593336795 449230864 /nfs/dbraw/zinc/23/08/64/449230864.db2.gz ACVWYEKOCNPODA-UHFFFAOYSA-N 1 1 335.404 1.707 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](Cc2ccccc2)C1 ZINC000593847935 449235615 /nfs/dbraw/zinc/23/56/15/449235615.db2.gz HTUPLIWLHROWMO-AWEZNQCLSA-N 1 1 328.372 1.922 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](Cc2ccccc2)C1 ZINC000593847935 449235620 /nfs/dbraw/zinc/23/56/20/449235620.db2.gz HTUPLIWLHROWMO-AWEZNQCLSA-N 1 1 328.372 1.922 20 5 EDBDMO C[C@@H](C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000593857326 449241743 /nfs/dbraw/zinc/24/17/43/449241743.db2.gz XJDMDRNQNVSKEZ-ZWNOBZJWSA-N 1 1 337.351 1.115 20 5 EDBDMO C[C@@H](C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000593857326 449241752 /nfs/dbraw/zinc/24/17/52/449241752.db2.gz XJDMDRNQNVSKEZ-ZWNOBZJWSA-N 1 1 337.351 1.115 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000600230016 449256185 /nfs/dbraw/zinc/25/61/85/449256185.db2.gz OCRFPEFOEDCYNH-CYBMUJFWSA-N 1 1 335.408 1.948 20 5 EDBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@H](CO)C1 ZINC000601980424 449261727 /nfs/dbraw/zinc/26/17/27/449261727.db2.gz WHYTWRATNQKWOD-AWEZNQCLSA-N 1 1 328.372 1.770 20 5 EDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@H](CO)C1 ZINC000601980424 449261730 /nfs/dbraw/zinc/26/17/30/449261730.db2.gz WHYTWRATNQKWOD-AWEZNQCLSA-N 1 1 328.372 1.770 20 5 EDBDMO CC(C)C[N@@H+](C)CCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000593479906 449303485 /nfs/dbraw/zinc/30/34/85/449303485.db2.gz LJCGSEILUTUONL-UHFFFAOYSA-N 1 1 344.437 1.632 20 5 EDBDMO COc1ccc(CN2CC[C@@H]2CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000600298893 449307109 /nfs/dbraw/zinc/30/71/09/449307109.db2.gz OGRZIJVOSFZCQO-GFCCVEGCSA-N 1 1 345.359 1.331 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596050861 449337534 /nfs/dbraw/zinc/33/75/34/449337534.db2.gz RGXBOBGXGMWVDA-NSHDSACASA-N 1 1 328.394 1.138 20 5 EDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000600529968 449427683 /nfs/dbraw/zinc/42/76/83/449427683.db2.gz FOMGGQURDSKBQI-SNVBAGLBSA-N 1 1 325.390 1.113 20 5 EDBDMO Cn1c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000598507796 449433258 /nfs/dbraw/zinc/43/32/58/449433258.db2.gz CWJKIXRVIQCCBI-AWEZNQCLSA-N 1 1 328.372 1.938 20 5 EDBDMO Cn1c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000598507796 449433265 /nfs/dbraw/zinc/43/32/65/449433265.db2.gz CWJKIXRVIQCCBI-AWEZNQCLSA-N 1 1 328.372 1.938 20 5 EDBDMO C[C@@H]1C[C@@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000596155399 449388283 /nfs/dbraw/zinc/38/82/83/449388283.db2.gz JSNSUDUSVQCAPS-MWLCHTKSSA-N 1 1 340.405 1.279 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611710212 449390705 /nfs/dbraw/zinc/39/07/05/449390705.db2.gz ZVAZTYWNDHCITN-UHFFFAOYSA-N 1 1 339.359 1.598 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594325061 449450793 /nfs/dbraw/zinc/45/07/93/449450793.db2.gz AUIOCRJUQFMTIG-CABCVRRESA-N 1 1 346.387 1.666 20 5 EDBDMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000596553255 449549640 /nfs/dbraw/zinc/54/96/40/449549640.db2.gz XMLCSYIIZMSNNU-INIZCTEOSA-N 1 1 342.403 1.613 20 5 EDBDMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000596553255 449549642 /nfs/dbraw/zinc/54/96/42/449549642.db2.gz XMLCSYIIZMSNNU-INIZCTEOSA-N 1 1 342.403 1.613 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594485097 449549880 /nfs/dbraw/zinc/54/98/80/449549880.db2.gz WGPDSTRMJMZZTP-HUUCEWRRSA-N 1 1 339.417 1.890 20 5 EDBDMO COC(=O)c1ccnc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000598634160 449510831 /nfs/dbraw/zinc/51/08/31/449510831.db2.gz RGKQXUNHNMAXLN-PHIMTYICSA-N 1 1 336.348 1.052 20 5 EDBDMO CC1(C)CC[C@@H](CO)[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598647030 449516177 /nfs/dbraw/zinc/51/61/77/449516177.db2.gz JQURRXWSILVFCG-GJZGRUSLSA-N 1 1 338.404 1.817 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000596588367 449564467 /nfs/dbraw/zinc/56/44/67/449564467.db2.gz PZZQKFVKPWNZGL-LLVKDONJSA-N 1 1 346.391 1.755 20 5 EDBDMO CC1CCN(C(=O)C2CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)CC1 ZINC000602455740 449602556 /nfs/dbraw/zinc/60/25/56/449602556.db2.gz VRGXGSAVRBLWPC-UHFFFAOYSA-N 1 1 349.435 1.799 20 5 EDBDMO C[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000594748176 449664327 /nfs/dbraw/zinc/66/43/27/449664327.db2.gz KVBZFWBIFFWWPH-NEPJUHHUSA-N 1 1 342.421 1.531 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596841548 449678990 /nfs/dbraw/zinc/67/89/90/449678990.db2.gz HQQYUCDWDQVKQT-HNNXBMFYSA-N 1 1 348.403 1.966 20 5 EDBDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594788803 449697032 /nfs/dbraw/zinc/69/70/32/449697032.db2.gz GKWPMIFLEABYEU-SNVBAGLBSA-N 1 1 328.394 1.141 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594788803 449697036 /nfs/dbraw/zinc/69/70/36/449697036.db2.gz GKWPMIFLEABYEU-SNVBAGLBSA-N 1 1 328.394 1.141 20 5 EDBDMO C[N@H+]1CC[C@](O)(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602612768 449704927 /nfs/dbraw/zinc/70/49/27/449704927.db2.gz QOGRUTYUBZJVSD-ZDUSSCGKSA-N 1 1 333.310 1.770 20 5 EDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[NH+](CCCF)CC1 ZINC000601183636 449738065 /nfs/dbraw/zinc/73/80/65/449738065.db2.gz HYNHGXHLKQDSJV-UHFFFAOYSA-N 1 1 339.293 1.829 20 5 EDBDMO COCCO[C@H]1COCC[C@@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601147672 449716888 /nfs/dbraw/zinc/71/68/88/449716888.db2.gz VSICHIDRPCTHGA-IRXDYDNUSA-N 1 1 347.371 1.797 20 5 EDBDMO O=[N+]([O-])c1cccc(CN2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000602743587 449779332 /nfs/dbraw/zinc/77/93/32/449779332.db2.gz URRHCUCBYBKYHS-UHFFFAOYSA-N 1 1 327.388 1.745 20 5 EDBDMO Cc1cc(NCC[N@H+]2CC[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599175952 449780472 /nfs/dbraw/zinc/78/04/72/449780472.db2.gz KVTCNLBGKPMUAB-OAHLLOKOSA-N 1 1 343.387 1.261 20 5 EDBDMO Cc1[nH+]cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)n1C ZINC000596991563 449751034 /nfs/dbraw/zinc/75/10/34/449751034.db2.gz MGHISOBVMQNOJK-UHFFFAOYSA-N 1 1 349.416 1.656 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)c1c(F)cccc1F ZINC000602806820 449822737 /nfs/dbraw/zinc/82/27/37/449822737.db2.gz QKHMZNIHMUJEFA-GFCCVEGCSA-N 1 1 326.303 1.701 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000601319856 449829356 /nfs/dbraw/zinc/82/93/56/449829356.db2.gz JGHAQTRBGAKUBN-JTQLQIEISA-N 1 1 331.369 1.415 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000601319856 449829364 /nfs/dbraw/zinc/82/93/64/449829364.db2.gz JGHAQTRBGAKUBN-JTQLQIEISA-N 1 1 331.369 1.415 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601356121 449869360 /nfs/dbraw/zinc/86/93/60/449869360.db2.gz HHRGHSKBKMLTKJ-ONGXEEELSA-N 1 1 347.462 1.925 20 5 EDBDMO CN(C(=O)CN1CCC2(C1)CC[NH+](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000602878858 449887003 /nfs/dbraw/zinc/88/70/03/449887003.db2.gz ZMYIJOLVRZRKIG-UHFFFAOYSA-N 1 1 346.431 1.975 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601434795 449955848 /nfs/dbraw/zinc/95/58/48/449955848.db2.gz VRFDGZLQINRNQL-SNVBAGLBSA-N 1 1 331.369 1.272 20 5 EDBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599411629 449956687 /nfs/dbraw/zinc/95/66/87/449956687.db2.gz AWOWYTCNLKYZAE-CYBMUJFWSA-N 1 1 341.433 1.913 20 5 EDBDMO CNc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000609285212 449998877 /nfs/dbraw/zinc/99/88/77/449998877.db2.gz FIZLTPHODWRVEW-HOCLYGCPSA-N 1 1 348.403 1.308 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000595353332 450067386 /nfs/dbraw/zinc/06/73/86/450067386.db2.gz FKYGXNRMUKMUMI-SNVBAGLBSA-N 1 1 331.369 1.497 20 5 EDBDMO CC1(C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000603111402 450073040 /nfs/dbraw/zinc/07/30/40/450073040.db2.gz QCEZIKLCMLOQNM-HUUCEWRRSA-N 1 1 333.388 1.824 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000613310340 450129226 /nfs/dbraw/zinc/12/92/26/450129226.db2.gz NSTUVVJTKPYLGB-GFCCVEGCSA-N 1 1 348.403 1.703 20 5 EDBDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000613310340 450129230 /nfs/dbraw/zinc/12/92/30/450129230.db2.gz NSTUVVJTKPYLGB-GFCCVEGCSA-N 1 1 348.403 1.703 20 5 EDBDMO O=[N+]([O-])c1cc(Cn2cc(C[NH+]3CCCC3)nn2)c2c(c1)COCO2 ZINC000603170768 450109221 /nfs/dbraw/zinc/10/92/21/450109221.db2.gz IEWDRGJIMIVDCB-UHFFFAOYSA-N 1 1 345.359 1.697 20 5 EDBDMO COC(=O)[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc21 ZINC000599683030 450149622 /nfs/dbraw/zinc/14/96/22/450149622.db2.gz WDWSYIPZJRHRDD-AWEZNQCLSA-N 1 1 330.344 1.564 20 5 EDBDMO COC(=O)[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc21 ZINC000599683030 450149629 /nfs/dbraw/zinc/14/96/29/450149629.db2.gz WDWSYIPZJRHRDD-AWEZNQCLSA-N 1 1 330.344 1.564 20 5 EDBDMO COC(=O)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc21 ZINC000599683032 450150662 /nfs/dbraw/zinc/15/06/62/450150662.db2.gz WDWSYIPZJRHRDD-CQSZACIVSA-N 1 1 330.344 1.564 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc21 ZINC000599683032 450150667 /nfs/dbraw/zinc/15/06/67/450150667.db2.gz WDWSYIPZJRHRDD-CQSZACIVSA-N 1 1 330.344 1.564 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000610240547 450157569 /nfs/dbraw/zinc/15/75/69/450157569.db2.gz SBZOWWYEBFYPKP-HNNXBMFYSA-N 1 1 346.431 1.755 20 5 EDBDMO COc1cc(C(=O)N2CC(C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000597682525 450193836 /nfs/dbraw/zinc/19/38/36/450193836.db2.gz QJIFSVSOUCIRNM-UHFFFAOYSA-N 1 1 335.360 1.008 20 5 EDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603424494 450295928 /nfs/dbraw/zinc/29/59/28/450295928.db2.gz YIGQXEOWRYITJD-OAHLLOKOSA-N 1 1 349.435 1.507 20 5 EDBDMO Cc1c(CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000616255465 450370204 /nfs/dbraw/zinc/37/02/04/450370204.db2.gz SUDUNBRDTWZXAM-DOMZBBRYSA-N 1 1 336.392 1.422 20 5 EDBDMO Cc1c(CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000616255465 450370208 /nfs/dbraw/zinc/37/02/08/450370208.db2.gz SUDUNBRDTWZXAM-DOMZBBRYSA-N 1 1 336.392 1.422 20 5 EDBDMO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000616740182 450471924 /nfs/dbraw/zinc/47/19/24/450471924.db2.gz VCKSKGMNTWBIDG-ZDUSSCGKSA-N 1 1 347.371 1.563 20 5 EDBDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000616740182 450471926 /nfs/dbraw/zinc/47/19/26/450471926.db2.gz VCKSKGMNTWBIDG-ZDUSSCGKSA-N 1 1 347.371 1.563 20 5 EDBDMO COC(=O)c1cc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000155104858 533730231 /nfs/dbraw/zinc/73/02/31/533730231.db2.gz MYMNASBVMOLPSF-GHMZBOCLSA-N 1 1 335.360 1.546 20 5 EDBDMO CCn1ncnc1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355584917 517888470 /nfs/dbraw/zinc/88/84/70/517888470.db2.gz QFRNTXJDKQVMEC-NSHDSACASA-N 1 1 332.364 1.713 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000174869777 534889051 /nfs/dbraw/zinc/88/90/51/534889051.db2.gz SWWHSTONGQIDMY-ZDUSSCGKSA-N 1 1 341.375 1.714 20 5 EDBDMO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000153999389 528863374 /nfs/dbraw/zinc/86/33/74/528863374.db2.gz OREZAQLRSJWXIL-CYBMUJFWSA-N 1 1 342.396 1.204 20 5 EDBDMO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000153999389 528863382 /nfs/dbraw/zinc/86/33/82/528863382.db2.gz OREZAQLRSJWXIL-CYBMUJFWSA-N 1 1 342.396 1.204 20 5 EDBDMO CCN1CC[NH+](CCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000174534480 529141123 /nfs/dbraw/zinc/14/11/23/529141123.db2.gz TUUCYDHYTPIDRB-UHFFFAOYSA-N 1 1 332.404 1.512 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264071503 535522346 /nfs/dbraw/zinc/52/23/46/535522346.db2.gz BUQQJFLIZJUSFE-UHFFFAOYSA-N 1 1 327.406 1.452 20 5 EDBDMO CNC(=O)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000346472061 536317145 /nfs/dbraw/zinc/31/71/45/536317145.db2.gz ATHJFQGFUAUQDK-UHFFFAOYSA-N 1 1 349.391 1.189 20 5 EDBDMO COc1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)c(F)cc1[N+](=O)[O-] ZINC000345034133 536827334 /nfs/dbraw/zinc/82/73/34/536827334.db2.gz NXBKBLPRCYUSRX-NSHDSACASA-N 1 1 327.356 1.635 20 5 EDBDMO CC[C@@H](CO)[NH+]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743017852 579467985 /nfs/dbraw/zinc/46/79/85/579467985.db2.gz IUGHXCSSEDGLSX-ZDUSSCGKSA-N 1 1 338.433 1.680 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000743405884 579479354 /nfs/dbraw/zinc/47/93/54/579479354.db2.gz QFJGIFQLQUMPRW-UHFFFAOYSA-N 1 1 333.344 1.963 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC2(C1)CCOCC2 ZINC000743405884 579479355 /nfs/dbraw/zinc/47/93/55/579479355.db2.gz QFJGIFQLQUMPRW-UHFFFAOYSA-N 1 1 333.344 1.963 20 5 EDBDMO COc1ccc(CC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000727675785 578537079 /nfs/dbraw/zinc/53/70/79/578537079.db2.gz SHMFERNJYFBPEL-KGLIPLIRSA-N 1 1 349.387 1.125 20 5 EDBDMO CCOC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000729919430 578598931 /nfs/dbraw/zinc/59/89/31/578598931.db2.gz KAMAMNXJJPQZJQ-ZDUSSCGKSA-N 1 1 327.356 1.253 20 5 EDBDMO CC[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000729921194 578599755 /nfs/dbraw/zinc/59/97/55/578599755.db2.gz RUMYBIHTMPZPMA-QWHCGFSZSA-N 1 1 333.392 1.524 20 5 EDBDMO CCCC[N@@H+](C)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000732771547 578727169 /nfs/dbraw/zinc/72/71/69/578727169.db2.gz JFVAWPTXXYBXBI-UHFFFAOYSA-N 1 1 333.392 1.793 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000761074623 580046674 /nfs/dbraw/zinc/04/66/74/580046674.db2.gz XZZALSZJWNTTKY-RYUDHWBXSA-N 1 1 336.392 1.566 20 5 EDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H](C)[NH+]1CCOCC1 ZINC000736139722 578956421 /nfs/dbraw/zinc/95/64/21/578956421.db2.gz QTKOQTQGUPDQLS-QWRGUYRKSA-N 1 1 347.379 1.296 20 5 EDBDMO CC(C)(C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000739708038 579239311 /nfs/dbraw/zinc/23/93/11/579239311.db2.gz CRWAPWRZWGFVER-JKSUJKDBSA-N 1 1 347.415 1.852 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1[N+](=O)[O-] ZINC000777555462 580444496 /nfs/dbraw/zinc/44/44/96/580444496.db2.gz BIWHBXBPUUGFRI-INIZCTEOSA-N 1 1 327.344 1.653 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1[N+](=O)[O-] ZINC000777555462 580444497 /nfs/dbraw/zinc/44/44/97/580444497.db2.gz BIWHBXBPUUGFRI-INIZCTEOSA-N 1 1 327.344 1.653 20 5 EDBDMO C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000747985135 579665787 /nfs/dbraw/zinc/66/57/87/579665787.db2.gz YXYLVBTYLURARE-CQSZACIVSA-N 1 1 346.431 1.974 20 5 EDBDMO C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@H+]1C ZINC000747985135 579665788 /nfs/dbraw/zinc/66/57/88/579665788.db2.gz YXYLVBTYLURARE-CQSZACIVSA-N 1 1 346.431 1.974 20 5 EDBDMO COCC1(O)CC[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777957730 580453547 /nfs/dbraw/zinc/45/35/47/580453547.db2.gz KTSITOLILHMPQX-UHFFFAOYSA-N 1 1 346.387 1.889 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000762966437 580088851 /nfs/dbraw/zinc/08/88/51/580088851.db2.gz GHRKERJRBAMDCO-RYUDHWBXSA-N 1 1 344.371 1.669 20 5 EDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000768841743 580221955 /nfs/dbraw/zinc/22/19/55/580221955.db2.gz NBEASIDALPPJHM-QWRGUYRKSA-N 1 1 325.340 1.664 20 5 EDBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1 ZINC000776599256 580423703 /nfs/dbraw/zinc/42/37/03/580423703.db2.gz ZLIPWPLRFYMENT-IMJJTQAJSA-N 1 1 333.388 1.619 20 5 EDBDMO C/C(=C/C(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784607202 580624913 /nfs/dbraw/zinc/62/49/13/580624913.db2.gz VECIQHSVCGUJAG-BENRWUELSA-N 1 1 346.387 1.064 20 5 EDBDMO CCc1cc(C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)[nH]n1 ZINC000788961630 580733667 /nfs/dbraw/zinc/73/36/67/580733667.db2.gz CHNNXNAFRGTXNX-UHFFFAOYSA-N 1 1 348.359 1.722 20 5 EDBDMO CN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000794629565 580900589 /nfs/dbraw/zinc/90/05/89/580900589.db2.gz XCAYVKMNCVNDHI-GFCCVEGCSA-N 1 1 332.360 1.629 20 5 EDBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796375437 580952467 /nfs/dbraw/zinc/95/24/67/580952467.db2.gz JBOGGBGCFIDAOF-XOKHGSTOSA-N 1 1 335.404 1.423 20 5 EDBDMO O=C(CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2)Nc1cc([N+](=O)[O-])ccc1F ZINC000801588822 581080868 /nfs/dbraw/zinc/08/08/68/581080868.db2.gz DZKLFICBHLGEOU-TXEJJXNPSA-N 1 1 339.323 1.162 20 5 EDBDMO O=C(CC[N@H+]1C[C@@H]2COC[C@H](C1)O2)Nc1cc([N+](=O)[O-])ccc1F ZINC000801588822 581080869 /nfs/dbraw/zinc/08/08/69/581080869.db2.gz DZKLFICBHLGEOU-TXEJJXNPSA-N 1 1 339.323 1.162 20 5 EDBDMO C[C@H](COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2)[N+](=O)[O-] ZINC000893044827 590632667 /nfs/dbraw/zinc/63/26/67/590632667.db2.gz OMCCTLGALAXQPV-KYJSFNMBSA-N 1 1 348.399 1.734 20 5 EDBDMO C[N@H+]1CC[C@](O)(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC000893187502 590701638 /nfs/dbraw/zinc/70/16/38/590701638.db2.gz RKRZYLXMTXEFLZ-HNNXBMFYSA-N 1 1 336.779 1.697 20 5 EDBDMO C[N@H+]1CC[C@@](O)(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC000893187606 590701751 /nfs/dbraw/zinc/70/17/51/590701751.db2.gz RKRZYLXMTXEFLZ-OAHLLOKOSA-N 1 1 336.779 1.697 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)OCCC[N@H+]1CCO[C@@H](C)C1 ZINC000893385165 590822794 /nfs/dbraw/zinc/82/27/94/590822794.db2.gz FUAVMYUQKMUJLF-LBPRGKRZSA-N 1 1 338.360 1.871 20 5 EDBDMO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N[C@H]3CC[N@@H+](C)[C@H]3C)n2)CC[NH+]1C ZINC000895735873 591264757 /nfs/dbraw/zinc/26/47/57/591264757.db2.gz GBMZOWFFKYCKQZ-QNWHQSFQSA-N 1 1 349.439 1.394 20 5 EDBDMO CNC(=O)c1ccc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896517452 591488709 /nfs/dbraw/zinc/48/87/09/591488709.db2.gz GBFLOAKSHHXYHQ-AWEZNQCLSA-N 1 1 348.403 1.620 20 5 EDBDMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000895002860 591514577 /nfs/dbraw/zinc/51/45/77/591514577.db2.gz OZOAKOZBEMQNNP-OAHLLOKOSA-N 1 1 345.403 1.950 20 5 EDBDMO Cc1ccccc1C[N@H+]1CCO[C@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000895002860 591514580 /nfs/dbraw/zinc/51/45/80/591514580.db2.gz OZOAKOZBEMQNNP-OAHLLOKOSA-N 1 1 345.403 1.950 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(CN3C(=O)C[C@@H]3Oc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000840130147 593228214 /nfs/dbraw/zinc/22/82/14/593228214.db2.gz LEHDEPNREUENKR-PVUWLOKVSA-N 1 1 346.387 1.125 20 5 EDBDMO CC(C)[N@@H+](C[C@H]1CCC(=O)N1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840187630 593367778 /nfs/dbraw/zinc/36/77/78/593367778.db2.gz VWTPMGODFCHACC-CYBMUJFWSA-N 1 1 331.376 1.891 20 5 EDBDMO CON(C)C(=O)C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000812291485 593494596 /nfs/dbraw/zinc/49/45/96/593494596.db2.gz BUDIHGYELDJPBH-UHFFFAOYSA-N 1 1 347.375 1.634 20 5 EDBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1COCCO1 ZINC000813172052 593521357 /nfs/dbraw/zinc/52/13/57/593521357.db2.gz FJDIRCURKQJYQK-LSDHHAIUSA-N 1 1 336.344 1.128 20 5 EDBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1COCCO1 ZINC000813172052 593521358 /nfs/dbraw/zinc/52/13/58/593521358.db2.gz FJDIRCURKQJYQK-LSDHHAIUSA-N 1 1 336.344 1.128 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000813740045 593552420 /nfs/dbraw/zinc/55/24/20/593552420.db2.gz XNJOCEMCWJAAOU-SKDRFNHKSA-N 1 1 345.808 1.573 20 5 EDBDMO CN(C)c1cc(F)c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000816953695 593563349 /nfs/dbraw/zinc/56/33/49/593563349.db2.gz MFIITCGFQONNMJ-BONVTDFDSA-N 1 1 336.367 1.576 20 5 EDBDMO CNC(=O)[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000817369692 593596687 /nfs/dbraw/zinc/59/66/87/593596687.db2.gz AWKXLGRZBDRAAL-SECBINFHSA-N 1 1 337.767 1.623 20 5 EDBDMO CNC(=O)[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000817369692 593596688 /nfs/dbraw/zinc/59/66/88/593596688.db2.gz AWKXLGRZBDRAAL-SECBINFHSA-N 1 1 337.767 1.623 20 5 EDBDMO C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000820711282 593868452 /nfs/dbraw/zinc/86/84/52/593868452.db2.gz VUIKBQUNPURDNU-QWRGUYRKSA-N 1 1 346.395 1.702 20 5 EDBDMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820752143 593881471 /nfs/dbraw/zinc/88/14/71/593881471.db2.gz KXIZUDGOWWDNKA-IINYFYTJSA-N 1 1 331.380 1.916 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820753062 593882061 /nfs/dbraw/zinc/88/20/61/593882061.db2.gz VXGNJKYPQJRFOD-MFKMUULPSA-N 1 1 331.380 1.551 20 5 EDBDMO C[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000825079208 594127071 /nfs/dbraw/zinc/12/70/71/594127071.db2.gz NXTCSHLSBLSCGK-WWGRRREGSA-N 1 1 335.404 1.865 20 5 EDBDMO COC(=O)Cc1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000827783718 594277406 /nfs/dbraw/zinc/27/74/06/594277406.db2.gz PBDGTTFKFYLJPV-CQSZACIVSA-N 1 1 349.387 1.221 20 5 EDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826570292 594529464 /nfs/dbraw/zinc/52/94/64/594529464.db2.gz YBTOUQQKLSCUQY-HOCLYGCPSA-N 1 1 335.404 1.961 20 5 EDBDMO C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000833426864 594846407 /nfs/dbraw/zinc/84/64/07/594846407.db2.gz RNZFHSFXYDMLLW-GUYCJALGSA-N 1 1 347.415 1.961 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1Cl ZINC000848307107 595357749 /nfs/dbraw/zinc/35/77/49/595357749.db2.gz PUYDSEJPLAUODJ-WDEREUQCSA-N 1 1 339.779 1.448 20 5 EDBDMO C[N@@H+]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848579976 595407712 /nfs/dbraw/zinc/40/77/12/595407712.db2.gz UIDBCQFQRXZQEL-UHFFFAOYSA-N 1 1 329.303 1.731 20 5 EDBDMO C[N@H+]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848579976 595407715 /nfs/dbraw/zinc/40/77/15/595407715.db2.gz UIDBCQFQRXZQEL-UHFFFAOYSA-N 1 1 329.303 1.731 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000853560180 595804451 /nfs/dbraw/zinc/80/44/51/595804451.db2.gz WFIFORCWFFOWDY-WFASDCNBSA-N 1 1 343.387 1.811 20 5 EDBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000853594145 595821663 /nfs/dbraw/zinc/82/16/63/595821663.db2.gz OZXRJIICUMWTQL-ZDUSSCGKSA-N 1 1 343.387 1.846 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000856073950 595888985 /nfs/dbraw/zinc/88/89/85/595888985.db2.gz YLUHVIVPJINHFL-JTQLQIEISA-N 1 1 335.389 1.814 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(c3cc(F)ncn3)CC2)cc1 ZINC000852130275 596055633 /nfs/dbraw/zinc/05/56/33/596055633.db2.gz NBQPBSNJOHVNMP-UHFFFAOYSA-N 1 1 347.350 1.725 20 5 EDBDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852652988 596219701 /nfs/dbraw/zinc/21/97/01/596219701.db2.gz IZHBLNCMLDUBSY-GJZGRUSLSA-N 1 1 336.392 1.316 20 5 EDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863031524 596490795 /nfs/dbraw/zinc/49/07/95/596490795.db2.gz HRHMMQDSEOKBRW-HZPDHXFCSA-N 1 1 333.388 1.761 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874362556 597033864 /nfs/dbraw/zinc/03/38/64/597033864.db2.gz AWGJTHPJPAILJI-HUUCEWRRSA-N 1 1 346.387 1.537 20 5 EDBDMO C[N@H+]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CCC1(C)C ZINC000872695772 597035519 /nfs/dbraw/zinc/03/55/19/597035519.db2.gz YCLJHLSTFQXFMY-UHFFFAOYSA-N 1 1 334.376 1.876 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)CC[C@H]21 ZINC000872725948 597047689 /nfs/dbraw/zinc/04/76/89/597047689.db2.gz KGELCFVRFLODKV-HUUCEWRRSA-N 1 1 342.403 1.837 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000877874616 597561627 /nfs/dbraw/zinc/56/16/27/597561627.db2.gz DLVJLWJCNPODEH-CZUORRHYSA-N 1 1 332.360 1.456 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000878360044 597597619 /nfs/dbraw/zinc/59/76/19/597597619.db2.gz XMGDESGECIBDDK-LBPRGKRZSA-N 1 1 349.387 1.828 20 5 EDBDMO COc1ccc([C@@H]2C[N@H+](CCn3c(C)ncc3[N+](=O)[O-])CCN2)cc1 ZINC000879523195 597616766 /nfs/dbraw/zinc/61/67/66/597616766.db2.gz VHFVATMIUBINKS-INIZCTEOSA-N 1 1 345.403 1.755 20 5 EDBDMO COc1ccc([C@@H]2C[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])CCN2)cc1 ZINC000879523195 597616769 /nfs/dbraw/zinc/61/67/69/597616769.db2.gz VHFVATMIUBINKS-INIZCTEOSA-N 1 1 345.403 1.755 20 5 EDBDMO CC1(C)C[C@H](O)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000879620633 597661491 /nfs/dbraw/zinc/66/14/91/597661491.db2.gz INLBYXXYNDUZEO-AWEZNQCLSA-N 1 1 333.388 1.577 20 5 EDBDMO CC1(C)C[C@H](O)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000879620633 597661494 /nfs/dbraw/zinc/66/14/94/597661494.db2.gz INLBYXXYNDUZEO-AWEZNQCLSA-N 1 1 333.388 1.577 20 5 EDBDMO CCOC(=O)[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCC1(F)F ZINC000879369466 597902246 /nfs/dbraw/zinc/90/22/46/597902246.db2.gz IGSXVTYDXNEJQI-SNVBAGLBSA-N 1 1 332.307 1.312 20 5 EDBDMO CCOC(=O)[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCC1(F)F ZINC000879369466 597902249 /nfs/dbraw/zinc/90/22/49/597902249.db2.gz IGSXVTYDXNEJQI-SNVBAGLBSA-N 1 1 332.307 1.312 20 5 EDBDMO CO[C@H]1COCC[C@@H]1[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000880427113 597929304 /nfs/dbraw/zinc/92/93/04/597929304.db2.gz BNKWIHQSZBHGOL-GJZGRUSLSA-N 1 1 337.376 1.577 20 5 EDBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000880427113 597929306 /nfs/dbraw/zinc/92/93/06/597929306.db2.gz BNKWIHQSZBHGOL-GJZGRUSLSA-N 1 1 337.376 1.577 20 5 EDBDMO CO[C@H]1COCC[C@@H]1[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880431374 597931802 /nfs/dbraw/zinc/93/18/02/597931802.db2.gz XRGRSFUBPSTTNL-HOTGVXAUSA-N 1 1 349.387 1.220 20 5 EDBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880431374 597931804 /nfs/dbraw/zinc/93/18/04/597931804.db2.gz XRGRSFUBPSTTNL-HOTGVXAUSA-N 1 1 349.387 1.220 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CCOC[C@H]2OC)c1 ZINC000880436460 597934294 /nfs/dbraw/zinc/93/42/94/597934294.db2.gz WKSHHARYQVENGU-HUUCEWRRSA-N 1 1 338.360 1.617 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000880741658 598001228 /nfs/dbraw/zinc/00/12/28/598001228.db2.gz MNLHFLVXOUBKLG-GFCCVEGCSA-N 1 1 349.387 1.970 20 5 EDBDMO C[N@@H+](CCNc1cc(Cl)c(F)cc1[N+](=O)[O-])CCOCCO ZINC000882950961 598113851 /nfs/dbraw/zinc/11/38/51/598113851.db2.gz IAUYQFJQGHNZAD-UHFFFAOYSA-N 1 1 335.763 1.740 20 5 EDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000153629560 695938332 /nfs/dbraw/zinc/93/83/32/695938332.db2.gz PIYYHUPOGLSPDI-HNNXBMFYSA-N 1 1 346.387 1.420 20 5 EDBDMO CCN1CC[NH+]([C@@H](C)CNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000917067972 696907599 /nfs/dbraw/zinc/90/75/99/696907599.db2.gz GFINKMNUPLNGRU-NSHDSACASA-N 1 1 334.380 1.569 20 5 EDBDMO C[N@H+](C[C@@H]1CCCO1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154757292 697180164 /nfs/dbraw/zinc/18/01/64/697180164.db2.gz CKOHSKQNIXBZHG-ZDUSSCGKSA-N 1 1 334.376 1.905 20 5 EDBDMO C[N@@H+](C[C@@H]1CCCO1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154757292 697180166 /nfs/dbraw/zinc/18/01/66/697180166.db2.gz CKOHSKQNIXBZHG-ZDUSSCGKSA-N 1 1 334.376 1.905 20 5 EDBDMO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001031531420 697216323 /nfs/dbraw/zinc/21/63/23/697216323.db2.gz UNBJLNHCUYJLII-UHFFFAOYSA-N 1 1 330.344 1.753 20 5 EDBDMO Cn1nccc1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001031575938 697272666 /nfs/dbraw/zinc/27/26/66/697272666.db2.gz ODHGVEHFUYPDGG-UHFFFAOYSA-N 1 1 329.360 1.190 20 5 EDBDMO CC1([NH2+]Cc2ccc(CO)cc2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940107285 700218677 /nfs/dbraw/zinc/21/86/77/700218677.db2.gz GWFNZWQHVDPKKD-HZPDHXFCSA-N 1 1 347.415 1.315 20 5 EDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(=O)[nH]c1 ZINC001032168240 702075568 /nfs/dbraw/zinc/07/55/68/702075568.db2.gz WFECXWNTEIVZDW-UHFFFAOYSA-N 1 1 342.355 1.557 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1ccc(=O)[nH]c1 ZINC001032168656 702076903 /nfs/dbraw/zinc/07/69/03/702076903.db2.gz LVVMBFYRXMCQNK-UHFFFAOYSA-N 1 1 342.355 1.557 20 5 EDBDMO Cc1oncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589333 704158589 /nfs/dbraw/zinc/15/85/89/704158589.db2.gz SSNFSSFXEJWECS-OCVGTWLNSA-N 1 1 348.403 1.319 20 5 EDBDMO Cc1oncc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589333 704158591 /nfs/dbraw/zinc/15/85/91/704158591.db2.gz SSNFSSFXEJWECS-OCVGTWLNSA-N 1 1 348.403 1.319 20 5 EDBDMO Cc1oncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589333 704158595 /nfs/dbraw/zinc/15/85/95/704158595.db2.gz SSNFSSFXEJWECS-OCVGTWLNSA-N 1 1 348.403 1.319 20 5 EDBDMO COc1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000052217504 214123008 /nfs/dbraw/zinc/12/30/08/214123008.db2.gz LRIDDPCRCCQSJM-UHFFFAOYSA-N 1 1 334.376 1.593 20 5 EDBDMO CCc1n[nH]c(C(=O)NCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000171677663 529467256 /nfs/dbraw/zinc/46/72/56/529467256.db2.gz RPNPTXKOVWFJJU-UHFFFAOYSA-N 1 1 331.376 1.742 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000558693652 306244389 /nfs/dbraw/zinc/24/43/89/306244389.db2.gz DABYHJXZOQBMTR-DZGCQCFKSA-N 1 1 335.404 1.613 20 5 EDBDMO CNC(=O)CCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000154723483 529851850 /nfs/dbraw/zinc/85/18/50/529851850.db2.gz GVLQLKXWUMDNRZ-UHFFFAOYSA-N 1 1 336.392 1.690 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000186770777 529902666 /nfs/dbraw/zinc/90/26/66/529902666.db2.gz MVWRPLNWXAPEOX-UHFFFAOYSA-N 1 1 344.375 1.342 20 5 EDBDMO Cc1noc(C)c1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459512174 282381484 /nfs/dbraw/zinc/38/14/84/282381484.db2.gz PPAQTJCGLCVGLF-UHFFFAOYSA-N 1 1 331.376 1.959 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1C(N)=O ZINC000067961019 215261206 /nfs/dbraw/zinc/26/12/06/215261206.db2.gz OGBNOVDTWLPLDM-AWEZNQCLSA-N 1 1 334.376 1.572 20 5 EDBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN(c3ccc(N)cc3[N+](=O)[O-])C2)CC1 ZINC000376217955 282916607 /nfs/dbraw/zinc/91/66/07/282916607.db2.gz HNZJCWSLSCARRA-ZDUSSCGKSA-N 1 1 347.419 1.167 20 5 EDBDMO Cc1c(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000041664483 138103511 /nfs/dbraw/zinc/10/35/11/138103511.db2.gz HULVGWRABSNGRH-GFCCVEGCSA-N 1 1 348.403 1.832 20 5 EDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090464784 138278958 /nfs/dbraw/zinc/27/89/58/138278958.db2.gz ZTOUBHVOEYAOFY-BRBWODKKSA-N 1 1 345.399 1.978 20 5 EDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090464784 138278959 /nfs/dbraw/zinc/27/89/59/138278959.db2.gz ZTOUBHVOEYAOFY-BRBWODKKSA-N 1 1 345.399 1.978 20 5 EDBDMO Cc1nn(C)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126563920 138338324 /nfs/dbraw/zinc/33/83/24/138338324.db2.gz LBEQHFXEVVCYAG-JSGCOSHPSA-N 1 1 347.419 1.726 20 5 EDBDMO COCCC[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000189914053 237396227 /nfs/dbraw/zinc/39/62/27/237396227.db2.gz NSCUTDIRSBJGHR-UHFFFAOYSA-N 1 1 325.365 1.173 20 5 EDBDMO COCCC[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000189914053 237396236 /nfs/dbraw/zinc/39/62/36/237396236.db2.gz NSCUTDIRSBJGHR-UHFFFAOYSA-N 1 1 325.365 1.173 20 5 EDBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000129980964 223109418 /nfs/dbraw/zinc/10/94/18/223109418.db2.gz MJGGPEDFHPVQEN-INIZCTEOSA-N 1 1 343.387 1.572 20 5 EDBDMO COCC(COC)[NH+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000414477140 304117543 /nfs/dbraw/zinc/11/75/43/304117543.db2.gz YYWODVIZWJDIIG-UHFFFAOYSA-N 1 1 337.420 1.682 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000110355139 220033099 /nfs/dbraw/zinc/03/30/99/220033099.db2.gz PZJNUSHYKAGUQG-CYBMUJFWSA-N 1 1 345.403 1.736 20 5 EDBDMO 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NEBUKFXWLBTAEO-UHFFFAOYSA-N 1 1 335.282 1.146 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000139976522 441830090 /nfs/dbraw/zinc/83/00/90/441830090.db2.gz LXLXAYNKGDLJNM-ZFWWWQNUSA-N 1 1 332.404 1.610 20 5 EDBDMO CCc1ccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000174228513 441905941 /nfs/dbraw/zinc/90/59/41/441905941.db2.gz GPLNWWBDVDMHLM-UHFFFAOYSA-N 1 1 348.403 1.051 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000152397842 442207174 /nfs/dbraw/zinc/20/71/74/442207174.db2.gz GAGIDZTZZMOZRN-UHFFFAOYSA-N 1 1 338.408 1.359 20 5 EDBDMO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000170648862 442241429 /nfs/dbraw/zinc/24/14/29/442241429.db2.gz JPXBZVLKVPPORB-UHFFFAOYSA-N 1 1 343.387 1.976 20 5 EDBDMO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCSCC1 ZINC000153575933 442290196 /nfs/dbraw/zinc/29/01/96/442290196.db2.gz BAAYPPUMIMJNIL-GFCCVEGCSA-N 1 1 335.429 1.917 20 5 EDBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000154198749 442326302 /nfs/dbraw/zinc/32/63/02/442326302.db2.gz QXLMHPXYERLICN-AWEZNQCLSA-N 1 1 337.424 1.808 20 5 EDBDMO CC[N@@H+](CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000132611081 442397310 /nfs/dbraw/zinc/39/73/10/442397310.db2.gz AKRTWOVQRUPNLZ-GFCCVEGCSA-N 1 1 333.392 1.487 20 5 EDBDMO CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000156506721 442488213 /nfs/dbraw/zinc/48/82/13/442488213.db2.gz CTGNNRCBVBJBRF-AWEZNQCLSA-N 1 1 348.403 1.642 20 5 EDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186523919 442552405 /nfs/dbraw/zinc/55/24/05/442552405.db2.gz ZXXVWVOJGGOZAP-JTQLQIEISA-N 1 1 329.360 1.828 20 5 EDBDMO COc1ccccc1N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157311181 442570703 /nfs/dbraw/zinc/57/07/03/442570703.db2.gz CLUJOUPPLTVPSR-UHFFFAOYSA-N 1 1 331.376 1.622 20 5 EDBDMO C[N@@H+](CCC1CC1)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000135295645 442576399 /nfs/dbraw/zinc/57/63/99/442576399.db2.gz ZLCKWNRIJHPTIK-UHFFFAOYSA-N 1 1 346.431 1.975 20 5 EDBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000173023094 442588168 /nfs/dbraw/zinc/58/81/68/442588168.db2.gz MODIPTGFVGGRPI-CYBMUJFWSA-N 1 1 339.417 1.499 20 5 EDBDMO CC[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000135641642 442620917 /nfs/dbraw/zinc/62/09/17/442620917.db2.gz RHNQGQWFLVJQRC-AWEZNQCLSA-N 1 1 343.387 1.885 20 5 EDBDMO CC[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000135641642 442620922 /nfs/dbraw/zinc/62/09/22/442620922.db2.gz RHNQGQWFLVJQRC-AWEZNQCLSA-N 1 1 343.387 1.885 20 5 EDBDMO CC[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000135641642 442620927 /nfs/dbraw/zinc/62/09/27/442620927.db2.gz RHNQGQWFLVJQRC-AWEZNQCLSA-N 1 1 343.387 1.885 20 5 EDBDMO C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000135635256 442621189 /nfs/dbraw/zinc/62/11/89/442621189.db2.gz FNAUTNIXCNVDKS-VIFPVBQESA-N 1 1 335.389 1.556 20 5 EDBDMO C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000135635256 442621191 /nfs/dbraw/zinc/62/11/91/442621191.db2.gz FNAUTNIXCNVDKS-VIFPVBQESA-N 1 1 335.389 1.556 20 5 EDBDMO C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000157863124 442622723 /nfs/dbraw/zinc/62/27/23/442622723.db2.gz XXLHRNHXFXWYRP-IUODEOHRSA-N 1 1 336.392 1.232 20 5 EDBDMO C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000157863124 442622728 /nfs/dbraw/zinc/62/27/28/442622728.db2.gz XXLHRNHXFXWYRP-IUODEOHRSA-N 1 1 336.392 1.232 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173255186 442634221 /nfs/dbraw/zinc/63/42/21/442634221.db2.gz SWAVCKSVRSAVHP-IUODEOHRSA-N 1 1 341.433 1.946 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000187744935 442690004 /nfs/dbraw/zinc/69/00/04/442690004.db2.gz KBDNEBDXFZVHSF-UHFFFAOYSA-N 1 1 348.359 1.475 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000181549661 442703113 /nfs/dbraw/zinc/70/31/13/442703113.db2.gz KMCXJCBKADFUHR-ZFWWWQNUSA-N 1 1 336.388 1.835 20 5 EDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181975896 442724581 /nfs/dbraw/zinc/72/45/81/442724581.db2.gz MIOJRTBFAFFSQX-PMPSAXMXSA-N 1 1 349.431 1.893 20 5 EDBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181975896 442724583 /nfs/dbraw/zinc/72/45/83/442724583.db2.gz MIOJRTBFAFFSQX-PMPSAXMXSA-N 1 1 349.431 1.893 20 5 EDBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181975896 442724585 /nfs/dbraw/zinc/72/45/85/442724585.db2.gz MIOJRTBFAFFSQX-PMPSAXMXSA-N 1 1 349.431 1.893 20 5 EDBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000193580342 442755748 /nfs/dbraw/zinc/75/57/48/442755748.db2.gz ZJVZLYMKXINRCZ-GFCCVEGCSA-N 1 1 340.449 1.660 20 5 EDBDMO C[N@@H+]1C[C@H]2CN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]2C1 ZINC000193599481 442757896 /nfs/dbraw/zinc/75/78/96/442757896.db2.gz XGWOGYMMWXZHTK-ZENOOKHLSA-N 1 1 330.388 1.194 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247133754 442837272 /nfs/dbraw/zinc/83/72/72/442837272.db2.gz RVDHGVRFGAHMAT-CHWSQXEVSA-N 1 1 339.417 1.700 20 5 EDBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000268127481 442859961 /nfs/dbraw/zinc/85/99/61/442859961.db2.gz HLKKWMDPNHEVHX-YGRLFVJLSA-N 1 1 339.417 1.893 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000268127481 442859965 /nfs/dbraw/zinc/85/99/65/442859965.db2.gz HLKKWMDPNHEVHX-YGRLFVJLSA-N 1 1 339.417 1.893 20 5 EDBDMO CCOC(=O)c1cc(NC[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000268178390 442886864 /nfs/dbraw/zinc/88/68/64/442886864.db2.gz KMCGEBBQDMGEKR-ZDUSSCGKSA-N 1 1 336.392 1.429 20 5 EDBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194703874 442940519 /nfs/dbraw/zinc/94/05/19/442940519.db2.gz HTMGMVMMDOFGJF-CQSZACIVSA-N 1 1 348.447 1.907 20 5 EDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000249180417 442958924 /nfs/dbraw/zinc/95/89/24/442958924.db2.gz NBTZURGZISWNGR-OLZOCXBDSA-N 1 1 341.433 1.994 20 5 EDBDMO COc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000265940860 442976977 /nfs/dbraw/zinc/97/69/77/442976977.db2.gz JEDUDDQLRGGGGA-YPMHNXCESA-N 1 1 349.387 1.921 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249597595 442993646 /nfs/dbraw/zinc/99/36/46/442993646.db2.gz XGVPARRIUVHVPK-SMDDNHRTSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@H]([C@H](C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000209841422 443051045 /nfs/dbraw/zinc/05/10/45/443051045.db2.gz UHDNKTIHSXYTBZ-CQUCYFNQSA-N 1 1 333.388 1.833 20 5 EDBDMO C[C@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000255725873 443108678 /nfs/dbraw/zinc/10/86/78/443108678.db2.gz BKUDZWURZPSNML-IDTUSYRASA-N 1 1 346.431 1.608 20 5 EDBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000266415737 443120911 /nfs/dbraw/zinc/12/09/11/443120911.db2.gz RGKZYYDYQRVTGJ-CYBMUJFWSA-N 1 1 332.360 1.836 20 5 EDBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000266415739 443121256 /nfs/dbraw/zinc/12/12/56/443121256.db2.gz RGKZYYDYQRVTGJ-ZDUSSCGKSA-N 1 1 332.360 1.836 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000245447311 443229096 /nfs/dbraw/zinc/22/90/96/443229096.db2.gz LYZVLNFKJKUIRE-NVXWUHKLSA-N 1 1 346.387 1.134 20 5 EDBDMO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000411661694 319193259 /nfs/dbraw/zinc/19/32/59/319193259.db2.gz AQOYOIOUGIAKFG-GFCCVEGCSA-N 1 1 334.376 1.381 20 5 EDBDMO CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185798891 443259150 /nfs/dbraw/zinc/25/91/50/443259150.db2.gz OTJGKQDJRLPVFE-WBVHZDCISA-N 1 1 330.388 1.989 20 5 EDBDMO CCOC(=O)C1(O)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000266958241 443303238 /nfs/dbraw/zinc/30/32/38/443303238.db2.gz WEPFBBKAYZLWQI-UHFFFAOYSA-N 1 1 338.360 1.364 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000264488927 443307440 /nfs/dbraw/zinc/30/74/40/443307440.db2.gz IZOFMIOUUYFPDG-AWEZNQCLSA-N 1 1 346.387 1.386 20 5 EDBDMO CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C)C1=O ZINC000282362053 443316005 /nfs/dbraw/zinc/31/60/05/443316005.db2.gz BJOQAJNOPWJOEU-KGLIPLIRSA-N 1 1 335.360 1.098 20 5 EDBDMO CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C)C1=O ZINC000282362053 443316008 /nfs/dbraw/zinc/31/60/08/443316008.db2.gz BJOQAJNOPWJOEU-KGLIPLIRSA-N 1 1 335.360 1.098 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000264598337 443340601 /nfs/dbraw/zinc/34/06/01/443340601.db2.gz XIBSAVOZEIOKOY-LBPRGKRZSA-N 1 1 339.417 1.524 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000264686334 443374460 /nfs/dbraw/zinc/37/44/60/443374460.db2.gz BDVJMKMPIHDISU-GFCCVEGCSA-N 1 1 328.376 1.678 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000278614150 443378595 /nfs/dbraw/zinc/37/85/95/443378595.db2.gz LZWXCJLQOXGXIB-NWDGAFQWSA-N 1 1 346.387 1.603 20 5 EDBDMO C[NH+]1CCC(C)(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000272562605 443364533 /nfs/dbraw/zinc/36/45/33/443364533.db2.gz UEUQDWZLMMKUFI-UHFFFAOYSA-N 1 1 331.376 1.933 20 5 EDBDMO Cc1cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278582796 443368578 /nfs/dbraw/zinc/36/85/78/443368578.db2.gz PBTPYIIJHGNPPL-QWHCGFSZSA-N 1 1 336.392 1.822 20 5 EDBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000272573565 443368739 /nfs/dbraw/zinc/36/87/39/443368739.db2.gz WOOHRLNLXABGGY-HOCLYGCPSA-N 1 1 332.360 1.159 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCCO1 ZINC000278728937 443416119 /nfs/dbraw/zinc/41/61/19/443416119.db2.gz WFIBHQVZHYZJQN-GFCCVEGCSA-N 1 1 336.392 1.408 20 5 EDBDMO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272683439 443407990 /nfs/dbraw/zinc/40/79/90/443407990.db2.gz OFFARAXQDJUWFE-CYBMUJFWSA-N 1 1 337.376 1.267 20 5 EDBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272683439 443407994 /nfs/dbraw/zinc/40/79/94/443407994.db2.gz OFFARAXQDJUWFE-CYBMUJFWSA-N 1 1 337.376 1.267 20 5 EDBDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000264945418 443486222 /nfs/dbraw/zinc/48/62/22/443486222.db2.gz JJVWDIKZCPDFJR-NEPJUHHUSA-N 1 1 330.406 1.727 20 5 EDBDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000264945418 443486225 /nfs/dbraw/zinc/48/62/25/443486225.db2.gz JJVWDIKZCPDFJR-NEPJUHHUSA-N 1 1 330.406 1.727 20 5 EDBDMO Cc1cc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)nc(C)[nH+]1 ZINC000267415106 443449498 /nfs/dbraw/zinc/44/94/98/443449498.db2.gz VRZDHKVBTAPZLP-UHFFFAOYSA-N 1 1 344.375 1.729 20 5 EDBDMO C[C@H]1OCC[C@@]12C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](C)O2 ZINC000279877684 443634446 /nfs/dbraw/zinc/63/44/46/443634446.db2.gz UFAXTBHXXBNCNH-XJKCOSOUSA-N 1 1 337.376 1.025 20 5 EDBDMO C[C@H]1OCC[C@@]12C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](C)O2 ZINC000279877684 443634448 /nfs/dbraw/zinc/63/44/48/443634448.db2.gz UFAXTBHXXBNCNH-XJKCOSOUSA-N 1 1 337.376 1.025 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272401826 443614646 /nfs/dbraw/zinc/61/46/46/443614646.db2.gz ZNTILCKSAMUCGA-IUODEOHRSA-N 1 1 346.387 1.394 20 5 EDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000440861400 320084246 /nfs/dbraw/zinc/08/42/46/320084246.db2.gz MCXRXBCBILXXLX-ZDUSSCGKSA-N 1 1 327.406 1.666 20 5 EDBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448764117 320157628 /nfs/dbraw/zinc/15/76/28/320157628.db2.gz QMTLNVIEIBJPKI-GFCCVEGCSA-N 1 1 329.360 1.462 20 5 EDBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC1 ZINC000448792627 320160407 /nfs/dbraw/zinc/16/04/07/320160407.db2.gz DNZGTJJMMPGVGH-UHFFFAOYSA-N 1 1 329.360 1.605 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000452098216 320241213 /nfs/dbraw/zinc/24/12/13/320241213.db2.gz AILLSEXLICDLMZ-OAHLLOKOSA-N 1 1 341.433 1.839 20 5 EDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000457080667 320319000 /nfs/dbraw/zinc/31/90/00/320319000.db2.gz AWEZNPUVCUWMOV-NSHDSACASA-N 1 1 332.360 1.215 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000457080667 320319001 /nfs/dbraw/zinc/31/90/01/320319001.db2.gz AWEZNPUVCUWMOV-NSHDSACASA-N 1 1 332.360 1.215 20 5 EDBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457094818 320319503 /nfs/dbraw/zinc/31/95/03/320319503.db2.gz HPBOPONKJUQANX-GOEBONIOSA-N 1 1 349.431 1.689 20 5 EDBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C 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347.368 1.115 20 5 EDBDMO COc1c(F)cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000276854120 443853127 /nfs/dbraw/zinc/85/31/27/443853127.db2.gz HRLDQKVLRONVMU-SECBINFHSA-N 1 1 347.368 1.115 20 5 EDBDMO CN(C(=O)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000281234219 443855512 /nfs/dbraw/zinc/85/55/12/443855512.db2.gz UFRLUCCGVLMKIY-AWEZNQCLSA-N 1 1 343.387 1.776 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000281417755 443906139 /nfs/dbraw/zinc/90/61/39/443906139.db2.gz AYARPHMZQIGEQT-NEPJUHHUSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000281417755 443906141 /nfs/dbraw/zinc/90/61/41/443906141.db2.gz AYARPHMZQIGEQT-NEPJUHHUSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285376663 443961454 /nfs/dbraw/zinc/96/14/54/443961454.db2.gz WFLGKEJYKNXELX-KBPBESRZSA-N 1 1 335.360 1.149 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](O)(c2nc(C)no2)C1 ZINC000277394588 443976946 /nfs/dbraw/zinc/97/69/46/443976946.db2.gz KOYLTXYGSABOMF-MRXNPFEDSA-N 1 1 348.359 1.778 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](O)(c2nc(C)no2)C1 ZINC000277394588 443976951 /nfs/dbraw/zinc/97/69/51/443976951.db2.gz KOYLTXYGSABOMF-MRXNPFEDSA-N 1 1 348.359 1.778 20 5 EDBDMO Cc1c(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000277942593 444067963 /nfs/dbraw/zinc/06/79/63/444067963.db2.gz ZNBLBLSPTNMBBN-HOTGVXAUSA-N 1 1 330.388 1.845 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O ZINC000289199471 444075776 /nfs/dbraw/zinc/07/57/76/444075776.db2.gz BFWYIAHRGHOETQ-YOEHRIQHSA-N 1 1 346.387 1.856 20 5 EDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000562394544 321055004 /nfs/dbraw/zinc/05/50/04/321055004.db2.gz SQSXISDBPNOEON-UHFFFAOYSA-N 1 1 331.332 1.046 20 5 EDBDMO COC(=O)c1cc(NC[C@@H](C)[N@@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301253454 444158573 /nfs/dbraw/zinc/15/85/73/444158573.db2.gz SILZDJDGIURCPS-VXGBXAGGSA-N 1 1 337.376 1.903 20 5 EDBDMO COC(=O)c1cc(NC[C@@H](C)[N@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301253454 444158576 /nfs/dbraw/zinc/15/85/76/444158576.db2.gz SILZDJDGIURCPS-VXGBXAGGSA-N 1 1 337.376 1.903 20 5 EDBDMO CCc1nn(C)c(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000301361751 444166883 /nfs/dbraw/zinc/16/68/83/444166883.db2.gz OINYLQVPZRLAIJ-AWEZNQCLSA-N 1 1 338.456 1.575 20 5 EDBDMO COc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1C ZINC000285843290 444127047 /nfs/dbraw/zinc/12/70/47/444127047.db2.gz PZJHWBBYHSOTQV-GJZGRUSLSA-N 1 1 349.387 1.457 20 5 EDBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301593057 444181331 /nfs/dbraw/zinc/18/13/31/444181331.db2.gz RDSHEKSRJFJVKG-QWHCGFSZSA-N 1 1 343.387 1.666 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000302104757 444204284 /nfs/dbraw/zinc/20/42/84/444204284.db2.gz RMZOZEDUZBIRLA-RYUDHWBXSA-N 1 1 337.376 1.273 20 5 EDBDMO Cc1cc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc(N2CCCC2)[nH+]1 ZINC000290571508 444296777 /nfs/dbraw/zinc/29/67/77/444296777.db2.gz OJTWJEFFWNHPIP-UHFFFAOYSA-N 1 1 344.375 1.411 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000290612831 444301635 /nfs/dbraw/zinc/30/16/35/444301635.db2.gz KLSVFVZVCVDJOI-JTQLQIEISA-N 1 1 330.410 1.384 20 5 EDBDMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340579941 444448128 /nfs/dbraw/zinc/44/81/28/444448128.db2.gz JWWDNAODZLGDJG-ZFWWWQNUSA-N 1 1 344.371 1.288 20 5 EDBDMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000342323572 444629955 /nfs/dbraw/zinc/62/99/55/444629955.db2.gz IJRPWAWQRNXYJI-JTQLQIEISA-N 1 1 345.359 1.875 20 5 EDBDMO CO[C@H]1C[C@H](C(=O)N2CCCC2)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000344024903 444735262 /nfs/dbraw/zinc/73/52/62/444735262.db2.gz WTXNZWSRVMTAAY-JKSUJKDBSA-N 1 1 333.388 1.807 20 5 EDBDMO CO[C@H]1C[C@H](C(=O)N2CCCC2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000344024903 444735269 /nfs/dbraw/zinc/73/52/69/444735269.db2.gz WTXNZWSRVMTAAY-JKSUJKDBSA-N 1 1 333.388 1.807 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000338677739 444803466 /nfs/dbraw/zinc/80/34/66/444803466.db2.gz RMKQIQCTYVRZMD-AWEZNQCLSA-N 1 1 337.424 1.646 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344238332 444856176 /nfs/dbraw/zinc/85/61/76/444856176.db2.gz IUSXYYFYJNZABG-ZDUSSCGKSA-N 1 1 325.340 1.575 20 5 EDBDMO COC[C@H]1C[C@H](OC)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000344377063 444928642 /nfs/dbraw/zinc/92/86/42/444928642.db2.gz XKYATIKYGVFJGW-KGLIPLIRSA-N 1 1 348.359 1.881 20 5 EDBDMO COC[C@H]1C[C@H](OC)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000344377063 444928646 /nfs/dbraw/zinc/92/86/46/444928646.db2.gz XKYATIKYGVFJGW-KGLIPLIRSA-N 1 1 348.359 1.881 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1Cn1ccnn1 ZINC000344402394 444942823 /nfs/dbraw/zinc/94/28/23/444942823.db2.gz XYXWPNLBJVKMDW-KBPBESRZSA-N 1 1 347.375 1.091 20 5 EDBDMO Cn1nccc1[C@@H]1[C@@H](CNc2ccc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000344443426 444975959 /nfs/dbraw/zinc/97/59/59/444975959.db2.gz CDZKHQXIWGZAJV-WBMJQRKESA-N 1 1 330.392 2.218 20 5 EDBDMO Cn1nccc1[C@H]1[C@H](CNc2ncc([N+](=O)[O-])s2)CCC[N@@H+]1C ZINC000344462510 444990780 /nfs/dbraw/zinc/99/07/80/444990780.db2.gz UJLDTACFBWROOH-GXFFZTMASA-N 1 1 336.421 2.280 20 5 EDBDMO Cn1nccc1[C@H]1[C@H](CNc2ncc([N+](=O)[O-])s2)CCC[N@H+]1C ZINC000344462510 444990785 /nfs/dbraw/zinc/99/07/85/444990785.db2.gz UJLDTACFBWROOH-GXFFZTMASA-N 1 1 336.421 2.280 20 5 EDBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337546201 445130404 /nfs/dbraw/zinc/13/04/04/445130404.db2.gz MMNKBHJIQADZBW-UONOGXRCSA-N 1 1 347.419 1.933 20 5 EDBDMO C[C@@H]1C[NH+](C[C@@H](O)COc2cc(F)cc([N+](=O)[O-])c2)C[C@@H](C)O1 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C[C@H]1CCC[N@H+]1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000891618345 591151650 /nfs/dbraw/zinc/15/16/50/591151650.db2.gz OWSMGDADNHWKGT-ZDUSSCGKSA-N 1 1 335.408 1.790 20 5 EDBDMO COc1c(O)ccc(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000894158942 591211542 /nfs/dbraw/zinc/21/15/42/591211542.db2.gz RCCISRCJBLDDBM-NEPJUHHUSA-N 1 1 339.392 1.196 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000895193035 591651871 /nfs/dbraw/zinc/65/18/71/591651871.db2.gz QZTGLDCXRBQVDB-NWDGAFQWSA-N 1 1 339.417 1.671 20 5 EDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000895193035 591651874 /nfs/dbraw/zinc/65/18/74/591651874.db2.gz QZTGLDCXRBQVDB-NWDGAFQWSA-N 1 1 339.417 1.671 20 5 EDBDMO C[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@H]1C[N@@H+](C)CCN1C ZINC000895245821 591678717 /nfs/dbraw/zinc/67/87/17/591678717.db2.gz IDRJFCNDFFGOEZ-SMDDNHRTSA-N 1 1 330.392 1.584 20 5 EDBDMO C[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@H]1CN(C)CC[N@@H+]1C ZINC000895245821 591678718 /nfs/dbraw/zinc/67/87/18/591678718.db2.gz IDRJFCNDFFGOEZ-SMDDNHRTSA-N 1 1 330.392 1.584 20 5 EDBDMO C[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@H]1CN(C)CC[N@H+]1C ZINC000895245821 591678720 /nfs/dbraw/zinc/67/87/20/591678720.db2.gz IDRJFCNDFFGOEZ-SMDDNHRTSA-N 1 1 330.392 1.584 20 5 EDBDMO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1C[N@@H+](C)CCN1C ZINC000895246540 591679486 /nfs/dbraw/zinc/67/94/86/591679486.db2.gz ACFFHRXZTNNRIP-ZBEGNZNMSA-N 1 1 347.419 1.526 20 5 EDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897220209 591775195 /nfs/dbraw/zinc/77/51/95/591775195.db2.gz UUFWYATYCFTCRP-DLBZAZTESA-N 1 1 333.388 1.833 20 5 EDBDMO O=[N+]([O-])c1ccc2cnn(CN3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)c2c1 ZINC000902643840 592034885 /nfs/dbraw/zinc/03/48/85/592034885.db2.gz MOSOKGLZRZJHJR-JKSUJKDBSA-N 1 1 345.403 1.433 20 5 EDBDMO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000903843475 592343117 /nfs/dbraw/zinc/34/31/17/592343117.db2.gz LNWZBTJUQQVQCY-SHUKQUCYSA-N 1 1 330.388 1.512 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c1C ZINC000908199974 592378201 /nfs/dbraw/zinc/37/82/01/592378201.db2.gz HEIHBWGDIJROGK-KBPBESRZSA-N 1 1 333.388 1.493 20 5 EDBDMO C/C(=C\C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000793872953 593179872 /nfs/dbraw/zinc/17/98/72/593179872.db2.gz PGEDHZWBZJWDJX-XGWPRKDGSA-N 1 1 347.415 1.912 20 5 EDBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000794635528 593184128 /nfs/dbraw/zinc/18/41/28/593184128.db2.gz XCZGANQTKISLHP-RYUDHWBXSA-N 1 1 333.344 1.819 20 5 EDBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000794635528 593184129 /nfs/dbraw/zinc/18/41/29/593184129.db2.gz XCZGANQTKISLHP-RYUDHWBXSA-N 1 1 333.344 1.819 20 5 EDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000840173402 593337279 /nfs/dbraw/zinc/33/72/79/593337279.db2.gz CENDOVPTCCVPME-CYBMUJFWSA-N 1 1 344.375 1.221 20 5 EDBDMO C[NH+](C)C1(CS(=O)(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000867018341 593378573 /nfs/dbraw/zinc/37/85/73/593378573.db2.gz OXRMSLGUHIXHSV-UHFFFAOYSA-N 1 1 339.417 1.377 20 5 EDBDMO CC[NH+]1CCN(c2ccc(C(=O)OC[C@H](C)[N+](=O)[O-])cc2F)CC1 ZINC000813102930 593517333 /nfs/dbraw/zinc/51/73/33/593517333.db2.gz LWWJHHVLUZPIEC-LBPRGKRZSA-N 1 1 339.367 1.790 20 5 EDBDMO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000819058255 593736438 /nfs/dbraw/zinc/73/64/38/593736438.db2.gz HBEJDGPXTKFZLP-WMLDXEAASA-N 1 1 336.436 1.101 20 5 EDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC(C[NH+]2CCOCC2)C1 ZINC000820249264 593802945 /nfs/dbraw/zinc/80/29/45/593802945.db2.gz LHMIPUNGHDHNHQ-ZZXKWVIFSA-N 1 1 331.372 1.399 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820750314 593879397 /nfs/dbraw/zinc/87/93/97/593879397.db2.gz ATOLSXOJALAEEQ-OTYXRUKQSA-N 1 1 329.364 1.670 20 5 EDBDMO C[N@H+]1CCCC12CCN(c1nccc(-c3nn[nH]n3)c1[N+](=O)[O-])CC2 ZINC000826034910 594312081 /nfs/dbraw/zinc/31/20/81/594312081.db2.gz YWMVGRSBWKEBBJ-UHFFFAOYSA-N 1 1 344.379 1.235 20 5 EDBDMO Cc1cc(Cl)c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000828505372 594438943 /nfs/dbraw/zinc/43/89/43/594438943.db2.gz OXBRRZSRLBTXEG-CQSZACIVSA-N 1 1 327.768 1.353 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000826673985 594552131 /nfs/dbraw/zinc/55/21/31/594552131.db2.gz PGNWWVQZRJKVTC-CQSZACIVSA-N 1 1 335.408 1.705 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000827340348 594662818 /nfs/dbraw/zinc/66/28/18/594662818.db2.gz ZGMHXGPZBMDIOZ-UONOGXRCSA-N 1 1 333.388 1.916 20 5 EDBDMO C[N@@H+](CCCCNS(=O)(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000841526897 594915558 /nfs/dbraw/zinc/91/55/58/594915558.db2.gz BWUHVCDHOCKCPF-UHFFFAOYSA-N 1 1 333.435 1.809 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000834315202 595091937 /nfs/dbraw/zinc/09/19/37/595091937.db2.gz WYRDLKKIEZFDCQ-YGRLFVJLSA-N 1 1 334.332 1.588 20 5 EDBDMO C[NH+](C)C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000846132016 595153318 /nfs/dbraw/zinc/15/33/18/595153318.db2.gz WJKJNOPDCLVOGP-MRVWCRGKSA-N 1 1 325.796 1.767 20 5 EDBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834601283 595172470 /nfs/dbraw/zinc/17/24/70/595172470.db2.gz ZYWCVAJFHMVTHS-SOUVJXGZSA-N 1 1 337.351 1.273 20 5 EDBDMO C[N@@H+](C[C@@H]1CCOC1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479761 595390416 /nfs/dbraw/zinc/39/04/16/595390416.db2.gz BDHFKESULBHPCZ-BBRMVZONSA-N 1 1 333.388 1.837 20 5 EDBDMO C[N@H+]1CC[C@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848580736 595408492 /nfs/dbraw/zinc/40/84/92/595408492.db2.gz BSUBNJICLLUXRU-SNVBAGLBSA-N 1 1 329.303 1.634 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000860266807 595631489 /nfs/dbraw/zinc/63/14/89/595631489.db2.gz FUTDYTIUJPUAMS-JOYOIKCWSA-N 1 1 327.768 1.697 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000860266807 595631492 /nfs/dbraw/zinc/63/14/92/595631492.db2.gz FUTDYTIUJPUAMS-JOYOIKCWSA-N 1 1 327.768 1.697 20 5 EDBDMO CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[N@@H+](C)C1 ZINC000855363743 595686225 /nfs/dbraw/zinc/68/62/25/595686225.db2.gz WHBWMSOXSILTAC-NSHDSACASA-N 1 1 325.340 1.665 20 5 EDBDMO O=C1CC[C@H]2C[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@H]2N1 ZINC000853556138 595799427 /nfs/dbraw/zinc/79/94/27/595799427.db2.gz XZWBDJKOGLYUPY-GXTWGEPZSA-N 1 1 329.360 1.503 20 5 EDBDMO O=C1CC[C@H]2C[N@@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@H]2N1 ZINC000853556138 595799430 /nfs/dbraw/zinc/79/94/30/595799430.db2.gz XZWBDJKOGLYUPY-GXTWGEPZSA-N 1 1 329.360 1.503 20 5 EDBDMO C[C@@H]1CCC[N@H+]1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000856733104 596064774 /nfs/dbraw/zinc/06/47/74/596064774.db2.gz OJWLHDJWSFNPPJ-GFCCVEGCSA-N 1 1 336.396 1.118 20 5 EDBDMO O=C1CCCN1C[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852680022 596226398 /nfs/dbraw/zinc/22/63/98/596226398.db2.gz JLLKRIJYWBVNFL-BBRMVZONSA-N 1 1 333.388 1.573 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000867807694 596560366 /nfs/dbraw/zinc/56/03/66/596560366.db2.gz KCSVPRCFJROZOD-BXUZGUMPSA-N 1 1 325.390 1.310 20 5 EDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000869785774 596637391 /nfs/dbraw/zinc/63/73/91/596637391.db2.gz DMLAIJSWRKNEMW-GPAKFWEMSA-N 1 1 333.388 1.569 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119572402 596650081 /nfs/dbraw/zinc/65/00/81/596650081.db2.gz XSDGOFZRDZJLTN-JTQLQIEISA-N 1 1 333.435 1.667 20 5 EDBDMO COC(=O)Cc1ccc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866209857 596828665 /nfs/dbraw/zinc/82/86/65/596828665.db2.gz WLEWIGYIAJBWOI-KGLIPLIRSA-N 1 1 333.388 1.841 20 5 EDBDMO CCC(=O)c1ccc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000872757575 597059676 /nfs/dbraw/zinc/05/96/76/597059676.db2.gz GDQBAOYLJZBMLI-UONOGXRCSA-N 1 1 333.388 1.833 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000876757330 597325089 /nfs/dbraw/zinc/32/50/89/597325089.db2.gz BWRSLBPXMSSMCL-OAHLLOKOSA-N 1 1 337.420 1.337 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879576075 597639136 /nfs/dbraw/zinc/63/91/36/597639136.db2.gz PQBIDVXMDMKPDL-XJKCOSOUSA-N 1 1 332.404 1.948 20 5 EDBDMO COc1cc(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000883404068 597733777 /nfs/dbraw/zinc/73/37/77/597733777.db2.gz OMTOUPWKVWRTFD-CYBMUJFWSA-N 1 1 349.387 1.713 20 5 EDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CO)(CO)CC1 ZINC000879968823 597789358 /nfs/dbraw/zinc/78/93/58/597789358.db2.gz XVRCSZDTNIUSBF-UHFFFAOYSA-N 1 1 338.404 1.949 20 5 EDBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881955338 597817210 /nfs/dbraw/zinc/81/72/10/597817210.db2.gz FEKMFASGPFCEMR-ZDUSSCGKSA-N 1 1 337.399 1.735 20 5 EDBDMO CCOC(=O)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCC1(F)F ZINC000879369464 597902398 /nfs/dbraw/zinc/90/23/98/597902398.db2.gz IGSXVTYDXNEJQI-JTQLQIEISA-N 1 1 332.307 1.312 20 5 EDBDMO CCOC(=O)[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCC1(F)F ZINC000879369464 597902400 /nfs/dbraw/zinc/90/24/00/597902400.db2.gz IGSXVTYDXNEJQI-JTQLQIEISA-N 1 1 332.307 1.312 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000882246879 597912191 /nfs/dbraw/zinc/91/21/91/597912191.db2.gz TYXGHPRJMPFOTN-JTQLQIEISA-N 1 1 347.824 1.787 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000882246880 597912476 /nfs/dbraw/zinc/91/24/76/597912476.db2.gz TYXGHPRJMPFOTN-SNVBAGLBSA-N 1 1 347.824 1.787 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000880741659 598001102 /nfs/dbraw/zinc/00/11/02/598001102.db2.gz MNLHFLVXOUBKLG-LBPRGKRZSA-N 1 1 349.387 1.970 20 5 EDBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000918581337 697184099 /nfs/dbraw/zinc/18/40/99/697184099.db2.gz NFOHPDUPBAGQOL-LSDHHAIUSA-N 1 1 343.387 1.688 20 5 EDBDMO Cc1c(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)cnn1C ZINC001031549996 697234935 /nfs/dbraw/zinc/23/49/35/697234935.db2.gz FQAJQPMWUGUMJD-UHFFFAOYSA-N 1 1 343.387 1.499 20 5 EDBDMO CC[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000919125951 697246686 /nfs/dbraw/zinc/24/66/86/697246686.db2.gz DBYXDWDMDYAGQR-IUODEOHRSA-N 1 1 336.392 1.676 20 5 EDBDMO CC[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000919125951 697246688 /nfs/dbraw/zinc/24/66/88/697246688.db2.gz DBYXDWDMDYAGQR-IUODEOHRSA-N 1 1 336.392 1.676 20 5 EDBDMO Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC001031659106 697430267 /nfs/dbraw/zinc/43/02/67/697430267.db2.gz MQSVYVHPFHFBLQ-UHFFFAOYSA-N 1 1 341.371 1.555 20 5 EDBDMO COc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000940107995 700220063 /nfs/dbraw/zinc/22/00/63/700220063.db2.gz VALJMGWKFBAECT-HUUCEWRRSA-N 1 1 348.403 1.226 20 5 EDBDMO CCc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000996429286 702783464 /nfs/dbraw/zinc/78/34/64/702783464.db2.gz OJGLWCKPGITULJ-IAGOWNOFSA-N 1 1 331.416 1.995 20 5 EDBDMO Cn1ccc(C(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC001004145107 711553713 /nfs/dbraw/zinc/55/37/13/711553713.db2.gz SLPBNGNDPRFINL-UHFFFAOYSA-N 1 1 343.387 1.723 20 5 EDBDMO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000190034438 529837861 /nfs/dbraw/zinc/83/78/61/529837861.db2.gz KAXKDJUXNHYVPB-UHFFFAOYSA-N 1 1 327.768 1.891 20 5 EDBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000190034438 529837862 /nfs/dbraw/zinc/83/78/62/529837862.db2.gz KAXKDJUXNHYVPB-UHFFFAOYSA-N 1 1 327.768 1.891 20 5 EDBDMO COC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000066836021 215084706 /nfs/dbraw/zinc/08/47/06/215084706.db2.gz JGZFMHFQRUWITQ-LBPRGKRZSA-N 1 1 335.360 1.808 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412362504 304001767 /nfs/dbraw/zinc/00/17/67/304001767.db2.gz AZMHQCQSTDEFSH-YESZJQIVSA-N 1 1 347.415 1.661 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000067429743 215143701 /nfs/dbraw/zinc/14/37/01/215143701.db2.gz TXLUDGCARCSMJP-CYBMUJFWSA-N 1 1 341.433 1.920 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000067429743 215143705 /nfs/dbraw/zinc/14/37/05/215143705.db2.gz TXLUDGCARCSMJP-CYBMUJFWSA-N 1 1 341.433 1.920 20 5 EDBDMO C[N@H+]1CCC[C@@H](CN[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000563347911 306328695 /nfs/dbraw/zinc/32/86/95/306328695.db2.gz GDBXJMROHPEAGA-SWLSCSKDSA-N 1 1 346.387 1.158 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000362024462 283152644 /nfs/dbraw/zinc/15/26/44/283152644.db2.gz QIRCCNFXTJHIIA-JQWIXIFHSA-N 1 1 343.380 1.449 20 5 EDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090461709 138278622 /nfs/dbraw/zinc/27/86/22/138278622.db2.gz XTTXKBAOSSQDDN-USQNJUIBSA-N 1 1 345.399 1.978 20 5 EDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090461709 138278623 /nfs/dbraw/zinc/27/86/23/138278623.db2.gz XTTXKBAOSSQDDN-USQNJUIBSA-N 1 1 345.399 1.978 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090461900 138278700 /nfs/dbraw/zinc/27/87/00/138278700.db2.gz OMNGHCDHYDPSIZ-GDBMZVCRSA-N 1 1 349.387 1.343 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090461900 138278701 /nfs/dbraw/zinc/27/87/01/138278701.db2.gz OMNGHCDHYDPSIZ-GDBMZVCRSA-N 1 1 349.387 1.343 20 5 EDBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000090462235 138278754 /nfs/dbraw/zinc/27/87/54/138278754.db2.gz QRNJGNXIRLAMEG-OLZOCXBDSA-N 1 1 337.351 1.717 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000090462235 138278755 /nfs/dbraw/zinc/27/87/55/138278755.db2.gz QRNJGNXIRLAMEG-OLZOCXBDSA-N 1 1 337.351 1.717 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000186879313 236052266 /nfs/dbraw/zinc/05/22/66/236052266.db2.gz IHZXWSOKRBICFW-NSHDSACASA-N 1 1 336.392 1.215 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000186879313 236052268 /nfs/dbraw/zinc/05/22/68/236052268.db2.gz IHZXWSOKRBICFW-NSHDSACASA-N 1 1 336.392 1.215 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000186964211 236080538 /nfs/dbraw/zinc/08/05/38/236080538.db2.gz XXNHPWYINYMHFI-GHMZBOCLSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000186964211 236080540 /nfs/dbraw/zinc/08/05/40/236080540.db2.gz XXNHPWYINYMHFI-GHMZBOCLSA-N 1 1 325.340 1.261 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000186967151 236081763 /nfs/dbraw/zinc/08/17/63/236081763.db2.gz NISLSWUKKGQKNM-CYBMUJFWSA-N 1 1 335.404 1.820 20 5 EDBDMO CNC(=O)CN1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000365007417 283318931 /nfs/dbraw/zinc/31/89/31/283318931.db2.gz IXJAGSOJGWEONY-AWEZNQCLSA-N 1 1 334.420 1.718 20 5 EDBDMO Nc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000131346867 223224878 /nfs/dbraw/zinc/22/48/78/223224878.db2.gz TWICGMFZQFLADX-ZDUSSCGKSA-N 1 1 336.392 1.144 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000246109454 139095287 /nfs/dbraw/zinc/09/52/87/139095287.db2.gz IBBISBACNKLBAD-GXFFZTMASA-N 1 1 345.396 1.695 20 5 EDBDMO CC[C@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000246790599 139121900 /nfs/dbraw/zinc/12/19/00/139121900.db2.gz JJIBVHOHMFRZIR-ZFWWWQNUSA-N 1 1 335.404 1.820 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000266043029 248057886 /nfs/dbraw/zinc/05/78/86/248057886.db2.gz SUCRQGVZGJZGBU-HNNXBMFYSA-N 1 1 334.420 1.234 20 5 EDBDMO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000247881000 139155543 /nfs/dbraw/zinc/15/55/43/139155543.db2.gz BPXBKWHVXAKSHF-KYJSFNMBSA-N 1 1 349.431 1.751 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000247881000 139155544 /nfs/dbraw/zinc/15/55/44/139155544.db2.gz BPXBKWHVXAKSHF-KYJSFNMBSA-N 1 1 349.431 1.751 20 5 EDBDMO CCOCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000093314332 218213846 /nfs/dbraw/zinc/21/38/46/218213846.db2.gz QYHCVYCGFQJGBM-LLVKDONJSA-N 1 1 325.365 1.899 20 5 EDBDMO CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000093314332 218213848 /nfs/dbraw/zinc/21/38/48/218213848.db2.gz QYHCVYCGFQJGBM-LLVKDONJSA-N 1 1 325.365 1.899 20 5 EDBDMO Cc1c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000249142814 139187338 /nfs/dbraw/zinc/18/73/38/139187338.db2.gz FWIGSSQULXRJDK-BXUZGUMPSA-N 1 1 348.403 1.640 20 5 EDBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000263215080 139328624 /nfs/dbraw/zinc/32/86/24/139328624.db2.gz KURXPRSKOPQVKN-IAQYHMDHSA-N 1 1 333.413 1.993 20 5 EDBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)CN2CCOCC2)C2CC2)cc1 ZINC000305728735 285111844 /nfs/dbraw/zinc/11/18/44/285111844.db2.gz KAEXRSZEDIWQLT-KRWDZBQOSA-N 1 1 335.404 1.252 20 5 EDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000112363981 220314796 /nfs/dbraw/zinc/31/47/96/220314796.db2.gz PZMPYKLBKRHPMG-UHFFFAOYSA-N 1 1 329.422 1.913 20 5 EDBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000263743300 139357203 /nfs/dbraw/zinc/35/72/03/139357203.db2.gz WDQKOGQIPIYWNX-OAHLLOKOSA-N 1 1 348.403 1.267 20 5 EDBDMO C[NH+]1CCN(CCCCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000491094655 255120376 /nfs/dbraw/zinc/12/03/76/255120376.db2.gz XAOZXSXTPXVXKB-HJWRWDBZSA-N 1 1 346.431 1.752 20 5 EDBDMO COC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000263889550 139367615 /nfs/dbraw/zinc/36/76/15/139367615.db2.gz RLNLOLHXJGHOLB-JSGCOSHPSA-N 1 1 338.360 1.220 20 5 EDBDMO COCC[NH+]1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271768224 140346834 /nfs/dbraw/zinc/34/68/34/140346834.db2.gz WWUWEGZEQOHICJ-ZDUSSCGKSA-N 1 1 336.392 1.629 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1OC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000339328875 142017598 /nfs/dbraw/zinc/01/75/98/142017598.db2.gz SZLYAWDGNCLDOU-SGMGOOAPSA-N 1 1 340.376 1.452 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC)[C@@H]2C1 ZINC000339389233 142034285 /nfs/dbraw/zinc/03/42/85/142034285.db2.gz BGRYVDRODMRSFP-WBVHZDCISA-N 1 1 335.404 1.898 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000345687061 143121525 /nfs/dbraw/zinc/12/15/25/143121525.db2.gz YGYIUVMOQIOVRN-NSHDSACASA-N 1 1 340.355 1.654 20 5 EDBDMO CCCc1[nH]nc(C(=O)N(C)C[C@H]2C[C@H](OC)C[N@H+]2C)c1[N+](=O)[O-] ZINC000346701263 143234264 /nfs/dbraw/zinc/23/42/64/143234264.db2.gz SGPIPHSAFOSMBU-MNOVXSKESA-N 1 1 339.396 1.062 20 5 EDBDMO CCCc1n[nH]c(C(=O)N(C)C[C@H]2C[C@H](OC)C[N@@H+]2C)c1[N+](=O)[O-] ZINC000346701263 143234265 /nfs/dbraw/zinc/23/42/65/143234265.db2.gz SGPIPHSAFOSMBU-MNOVXSKESA-N 1 1 339.396 1.062 20 5 EDBDMO CCCc1n[nH]c(C(=O)N(C)C[C@H]2C[C@H](OC)C[N@H+]2C)c1[N+](=O)[O-] ZINC000346701263 143234266 /nfs/dbraw/zinc/23/42/66/143234266.db2.gz SGPIPHSAFOSMBU-MNOVXSKESA-N 1 1 339.396 1.062 20 5 EDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000347127922 143285539 /nfs/dbraw/zinc/28/55/39/143285539.db2.gz HDXYMOXNXMBXME-GFCCVEGCSA-N 1 1 347.371 1.870 20 5 EDBDMO CCOCC[NH+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347227433 143297365 /nfs/dbraw/zinc/29/73/65/143297365.db2.gz JAKLKEBZPDCOIJ-UHFFFAOYSA-N 1 1 340.355 1.920 20 5 EDBDMO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000352758541 149153556 /nfs/dbraw/zinc/15/35/56/149153556.db2.gz OOXQOIXMHRYSMT-CYBMUJFWSA-N 1 1 329.360 1.631 20 5 EDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000355720332 150374155 /nfs/dbraw/zinc/37/41/55/150374155.db2.gz XZEKHSHVYGJRKT-STQMWFEESA-N 1 1 341.433 1.492 20 5 EDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000355720332 150374157 /nfs/dbraw/zinc/37/41/57/150374157.db2.gz XZEKHSHVYGJRKT-STQMWFEESA-N 1 1 341.433 1.492 20 5 EDBDMO CC[C@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000355753289 150386770 /nfs/dbraw/zinc/38/67/70/150386770.db2.gz ZLUMCLYVVAAZNU-JSGCOSHPSA-N 1 1 338.360 1.349 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+](C)CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000355755484 150387520 /nfs/dbraw/zinc/38/75/20/150387520.db2.gz AAAPOZXXUOROBD-LLVKDONJSA-N 1 1 326.349 1.349 20 5 EDBDMO O=[N+]([O-])c1cc(F)c(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(F)c1 ZINC000360465984 152055073 /nfs/dbraw/zinc/05/50/73/152055073.db2.gz IEMKAEKGDIVQST-KGLIPLIRSA-N 1 1 327.331 1.908 20 5 EDBDMO COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000360650286 152138726 /nfs/dbraw/zinc/13/87/26/152138726.db2.gz CFZKCCXKJAEAQG-QWRGUYRKSA-N 1 1 343.405 1.364 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000360651728 152138980 /nfs/dbraw/zinc/13/89/80/152138980.db2.gz IQQIHIRWTFHABK-CHWSQXEVSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1c(CN2CC[NH+]([C@H]3CCCCNC3=O)CC2)cccc1[N+](=O)[O-] ZINC000360850354 152228970 /nfs/dbraw/zinc/22/89/70/152228970.db2.gz LYWIGTDJBKSNDD-KRWDZBQOSA-N 1 1 346.431 1.690 20 5 EDBDMO CNc1c(C(=O)NC[C@H]2CCC[N@H+]2CCOC)cccc1[N+](=O)[O-] ZINC000361209926 152336638 /nfs/dbraw/zinc/33/66/38/152336638.db2.gz JHJUMZPFMPDLJA-GFCCVEGCSA-N 1 1 336.392 1.477 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363834917 153070487 /nfs/dbraw/zinc/07/04/87/153070487.db2.gz RRDDXURLYFKFSZ-WZFZXHKMSA-N 1 1 345.399 1.978 20 5 EDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000364180002 153164574 /nfs/dbraw/zinc/16/45/74/153164574.db2.gz ATODBVJGIIOLEQ-LLVKDONJSA-N 1 1 327.431 1.920 20 5 EDBDMO Cc1nn(CCC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000365328166 153484368 /nfs/dbraw/zinc/48/43/68/153484368.db2.gz UQHJUBKVYUYDIT-CQSZACIVSA-N 1 1 335.408 1.495 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000367582910 154185203 /nfs/dbraw/zinc/18/52/03/154185203.db2.gz QCVJIIWUCKSTBG-WFASDCNBSA-N 1 1 339.417 1.618 20 5 EDBDMO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000371584931 156016447 /nfs/dbraw/zinc/01/64/47/156016447.db2.gz CYZVWYHGLOTTDT-GOEBONIOSA-N 1 1 335.379 1.819 20 5 EDBDMO O=C(N[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)C1CCC1 ZINC000372154772 156244784 /nfs/dbraw/zinc/24/47/84/156244784.db2.gz BIKYZGWKVQYXFW-HOCLYGCPSA-N 1 1 333.388 1.619 20 5 EDBDMO O=C(N[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)C1CCC1 ZINC000372154772 156244789 /nfs/dbraw/zinc/24/47/89/156244789.db2.gz BIKYZGWKVQYXFW-HOCLYGCPSA-N 1 1 333.388 1.619 20 5 EDBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000373896068 157053066 /nfs/dbraw/zinc/05/30/66/157053066.db2.gz PURRJQBEVUDBCZ-YNEHKIRRSA-N 1 1 332.360 1.252 20 5 EDBDMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000377938874 158033597 /nfs/dbraw/zinc/03/35/97/158033597.db2.gz IVEYXTHMLFYGJK-CYBMUJFWSA-N 1 1 344.375 1.537 20 5 EDBDMO C[C@@]1(c2ccccc2)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000378127274 158086112 /nfs/dbraw/zinc/08/61/12/158086112.db2.gz PIXBNCIETPVKKP-DLBZAZTESA-N 1 1 330.388 1.816 20 5 EDBDMO Cc1ccc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000273511265 268055600 /nfs/dbraw/zinc/05/56/00/268055600.db2.gz ISZCXQZUDXVECV-UHFFFAOYSA-N 1 1 342.399 1.887 20 5 EDBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000274164207 268111237 /nfs/dbraw/zinc/11/12/37/268111237.db2.gz LNWQTGNIFJRAJB-SNVBAGLBSA-N 1 1 334.405 1.912 20 5 EDBDMO C[N@@H+]1CC=C(CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000273105103 273028516 /nfs/dbraw/zinc/02/85/16/273028516.db2.gz MVRFNVMEJZBZSY-MRXNPFEDSA-N 1 1 344.371 1.466 20 5 EDBDMO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000275746173 268371603 /nfs/dbraw/zinc/37/16/03/268371603.db2.gz PYPHHXKTWATKNW-AWEZNQCLSA-N 1 1 328.376 1.678 20 5 EDBDMO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000275746173 268371604 /nfs/dbraw/zinc/37/16/04/268371604.db2.gz PYPHHXKTWATKNW-AWEZNQCLSA-N 1 1 328.376 1.678 20 5 EDBDMO CCCC[N@@H+](CCCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273174796 273032120 /nfs/dbraw/zinc/03/21/20/273032120.db2.gz PHRQLAOVJKWNHT-AWEZNQCLSA-N 1 1 326.393 1.819 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000277507951 273202252 /nfs/dbraw/zinc/20/22/52/273202252.db2.gz QJZMPDOXFYGYKF-AWEZNQCLSA-N 1 1 339.417 1.890 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000277507951 273202254 /nfs/dbraw/zinc/20/22/54/273202254.db2.gz QJZMPDOXFYGYKF-AWEZNQCLSA-N 1 1 339.417 1.890 20 5 EDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284491310 274221429 /nfs/dbraw/zinc/22/14/29/274221429.db2.gz GJQXLZVEQLOIDD-BBRMVZONSA-N 1 1 331.376 1.774 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284527059 274234313 /nfs/dbraw/zinc/23/43/13/274234313.db2.gz WNOOECQDGIAMGF-QMTHXVAHSA-N 1 1 336.367 1.872 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)[N@H+](C)C1 ZINC000284546435 274240349 /nfs/dbraw/zinc/24/03/49/274240349.db2.gz GKKJMESYHNICTE-QWRGUYRKSA-N 1 1 327.406 1.756 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)[N@@H+](C)C1 ZINC000284546435 274240352 /nfs/dbraw/zinc/24/03/52/274240352.db2.gz GKKJMESYHNICTE-QWRGUYRKSA-N 1 1 327.406 1.756 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000272481316 276075329 /nfs/dbraw/zinc/07/53/29/276075329.db2.gz JMLDLPJGBWTKEZ-LLVKDONJSA-N 1 1 342.421 1.020 20 5 EDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](C)C1 ZINC000488747890 279008137 /nfs/dbraw/zinc/00/81/37/279008137.db2.gz FZZLGNWLJRKFLN-YNEHKIRRSA-N 1 1 330.392 1.804 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287387498 288226540 /nfs/dbraw/zinc/22/65/40/288226540.db2.gz INRUBMODZXAGCX-OCCSQVGLSA-N 1 1 343.387 1.958 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420232971 281259023 /nfs/dbraw/zinc/25/90/23/281259023.db2.gz ASGGNLWEQSAVHV-UHFFFAOYSA-N 1 1 342.403 1.982 20 5 EDBDMO COCC[C@@H]1COCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000291273827 289029524 /nfs/dbraw/zinc/02/95/24/289029524.db2.gz PUYMSPPPWYOMBF-CABCVRRESA-N 1 1 340.376 1.072 20 5 EDBDMO COCC[C@@H]1COCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000291273827 289029525 /nfs/dbraw/zinc/02/95/25/289029525.db2.gz PUYMSPPPWYOMBF-CABCVRRESA-N 1 1 340.376 1.072 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000291734985 289165437 /nfs/dbraw/zinc/16/54/37/289165437.db2.gz AEHGEPIVERVJAV-UHFFFAOYSA-N 1 1 336.436 1.859 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000291734985 289165438 /nfs/dbraw/zinc/16/54/38/289165438.db2.gz AEHGEPIVERVJAV-UHFFFAOYSA-N 1 1 336.436 1.859 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292166177 289279033 /nfs/dbraw/zinc/27/90/33/289279033.db2.gz PAHOXYHWVKIIAL-YOEHRIQHSA-N 1 1 335.404 1.362 20 5 EDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293666473 303000584 /nfs/dbraw/zinc/00/05/84/303000584.db2.gz JVNNMCXOSCQQRI-LLVKDONJSA-N 1 1 335.408 1.827 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293666473 303000587 /nfs/dbraw/zinc/00/05/87/303000587.db2.gz JVNNMCXOSCQQRI-LLVKDONJSA-N 1 1 335.408 1.827 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293666473 303000590 /nfs/dbraw/zinc/00/05/90/303000590.db2.gz JVNNMCXOSCQQRI-LLVKDONJSA-N 1 1 335.408 1.827 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[N@H+](CCCO)C1 ZINC000294688338 303136333 /nfs/dbraw/zinc/13/63/33/303136333.db2.gz BPRFZMAWJQLVFY-HNNXBMFYSA-N 1 1 337.420 1.930 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[N@@H+](CCCO)C1 ZINC000294688338 303136335 /nfs/dbraw/zinc/13/63/35/303136335.db2.gz BPRFZMAWJQLVFY-HNNXBMFYSA-N 1 1 337.420 1.930 20 5 EDBDMO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000295053513 303168091 /nfs/dbraw/zinc/16/80/91/303168091.db2.gz NQGVPIBJYHETRB-SNVBAGLBSA-N 1 1 335.813 1.666 20 5 EDBDMO COCC(COC)[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000411857721 303925185 /nfs/dbraw/zinc/92/51/85/303925185.db2.gz IDCBYGANLOLLQX-AWEZNQCLSA-N 1 1 337.420 1.935 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000423613989 304901531 /nfs/dbraw/zinc/90/15/31/304901531.db2.gz PPRLXRMJFOOCLS-LBPRGKRZSA-N 1 1 333.323 1.254 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000428552114 305011563 /nfs/dbraw/zinc/01/15/63/305011563.db2.gz UNQVOQSUYGDPSF-CYBMUJFWSA-N 1 1 345.359 1.147 20 5 EDBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000430111492 305045794 /nfs/dbraw/zinc/04/57/94/305045794.db2.gz RLLFMIWSHWEHHX-VSKVDJIOSA-N 1 1 339.417 1.574 20 5 EDBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000430111492 305045795 /nfs/dbraw/zinc/04/57/95/305045795.db2.gz RLLFMIWSHWEHHX-VSKVDJIOSA-N 1 1 339.417 1.574 20 5 EDBDMO C[N@H+]1CCO[C@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C[C@H]21 ZINC000436399005 305156687 /nfs/dbraw/zinc/15/66/87/305156687.db2.gz BZLKSMRLWDMJSZ-MNOVXSKESA-N 1 1 332.282 1.528 20 5 EDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000443222883 305237098 /nfs/dbraw/zinc/23/70/98/305237098.db2.gz YTNLUGRKLJFQKI-AWEZNQCLSA-N 1 1 341.433 1.994 20 5 EDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000449571556 305314075 /nfs/dbraw/zinc/31/40/75/305314075.db2.gz GVIBJNPCGZIEPM-INIZCTEOSA-N 1 1 347.350 1.554 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000451339615 305340088 /nfs/dbraw/zinc/34/00/88/305340088.db2.gz ILCCVMAOGAJCSM-FPCVCCKLSA-N 1 1 338.408 1.168 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc([N+](=O)[O-])cc1F ZINC000452350863 305391670 /nfs/dbraw/zinc/39/16/70/305391670.db2.gz OWZJBEMMLIXGDB-LBPRGKRZSA-N 1 1 325.340 1.311 20 5 EDBDMO COC(=O)COc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414934944 447364557 /nfs/dbraw/zinc/36/45/57/447364557.db2.gz YJHAFFSSKUEPOQ-QWHCGFSZSA-N 1 1 337.376 1.506 20 5 EDBDMO CC(C)(NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000551815193 306162643 /nfs/dbraw/zinc/16/26/43/306162643.db2.gz IWFZDAOWZLXXOU-HNNXBMFYSA-N 1 1 332.404 1.336 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000046035188 441071364 /nfs/dbraw/zinc/07/13/64/441071364.db2.gz JTPSMUDVCFREJI-LBPRGKRZSA-N 1 1 341.433 1.913 20 5 EDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000072577474 441238817 /nfs/dbraw/zinc/23/88/17/441238817.db2.gz XERSMNHAKAAGRR-QWHCGFSZSA-N 1 1 341.433 1.917 20 5 EDBDMO Cc1cc(C)n(CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665200 441247750 /nfs/dbraw/zinc/24/77/50/441247750.db2.gz NTZUUUKZYNTIFW-AWEZNQCLSA-N 1 1 330.392 1.990 20 5 EDBDMO COCC[N@H+]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000081723385 441305183 /nfs/dbraw/zinc/30/51/83/441305183.db2.gz FODFRGONTQHVEW-UHFFFAOYSA-N 1 1 336.392 1.280 20 5 EDBDMO O=C(C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1)N1CCCC1 ZINC000026705606 441382340 /nfs/dbraw/zinc/38/23/40/441382340.db2.gz WWWOQLXBGQPPML-UHFFFAOYSA-N 1 1 333.392 1.124 20 5 EDBDMO O=C(C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1)N1CCCC1 ZINC000026705606 441382346 /nfs/dbraw/zinc/38/23/46/441382346.db2.gz WWWOQLXBGQPPML-UHFFFAOYSA-N 1 1 333.392 1.124 20 5 EDBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000106542545 441353750 /nfs/dbraw/zinc/35/37/50/441353750.db2.gz NIXJKPOUVXNOAP-CQSZACIVSA-N 1 1 349.435 1.072 20 5 EDBDMO CNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000027965941 441420210 /nfs/dbraw/zinc/42/02/10/441420210.db2.gz VAVWMYLXJUWIAT-GFCCVEGCSA-N 1 1 348.403 1.688 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087301859 441485647 /nfs/dbraw/zinc/48/56/47/441485647.db2.gz AMQQEFXNUGBJJN-INIZCTEOSA-N 1 1 335.404 1.754 20 5 EDBDMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000108406169 441451251 /nfs/dbraw/zinc/45/12/51/441451251.db2.gz QWZSUTGMTHPJQB-LLVKDONJSA-N 1 1 343.405 1.224 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108406699 441451938 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/nfs/dbraw/zinc/22/70/67/443227067.db2.gz NVABUKAZLDQLGW-WBMJQRKESA-N 1 1 334.376 1.941 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000190862168 443197990 /nfs/dbraw/zinc/19/79/90/443197990.db2.gz JDFCGFHMWDVUHV-NEPJUHHUSA-N 1 1 337.376 1.492 20 5 EDBDMO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000266667469 443202237 /nfs/dbraw/zinc/20/22/37/443202237.db2.gz MCTLNJZHXQRTIG-CYBMUJFWSA-N 1 1 332.404 1.921 20 5 EDBDMO COCC(COC)[NH+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000413470729 319269752 /nfs/dbraw/zinc/26/97/52/319269752.db2.gz HFAXJYOLEICZPX-UHFFFAOYSA-N 1 1 339.392 1.387 20 5 EDBDMO Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000269366204 443294980 /nfs/dbraw/zinc/29/49/80/443294980.db2.gz MABDQYKOVPHCCJ-OAHLLOKOSA-N 1 1 335.404 1.870 20 5 EDBDMO COC(=O)C[C@@H]1CSCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000266919869 443290529 /nfs/dbraw/zinc/29/05/29/443290529.db2.gz LLVNKETTXMTJKB-GFCCVEGCSA-N 1 1 340.401 1.954 20 5 EDBDMO COC(=O)C[C@@H]1CSCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000266919869 443290534 /nfs/dbraw/zinc/29/05/34/443290534.db2.gz LLVNKETTXMTJKB-GFCCVEGCSA-N 1 1 340.401 1.954 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270881008 443483191 /nfs/dbraw/zinc/48/31/91/443483191.db2.gz FEACOLCTBMZVIU-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270881008 443483193 /nfs/dbraw/zinc/48/31/93/443483193.db2.gz FEACOLCTBMZVIU-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000265202325 443568179 /nfs/dbraw/zinc/56/81/79/443568179.db2.gz AZDXECFOTVENSC-ZDUSSCGKSA-N 1 1 332.422 1.891 20 5 EDBDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000265202325 443568184 /nfs/dbraw/zinc/56/81/84/443568184.db2.gz AZDXECFOTVENSC-ZDUSSCGKSA-N 1 1 332.422 1.891 20 5 EDBDMO Cc1cc(C(=O)NCC(=O)NCC[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000279910807 443639861 /nfs/dbraw/zinc/63/98/61/443639861.db2.gz FMRIJQMVNCIMSO-UHFFFAOYSA-N 1 1 346.387 1.011 20 5 EDBDMO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000283547733 443658138 /nfs/dbraw/zinc/65/81/38/443658138.db2.gz PQAOQTFIKBDKJB-AWEZNQCLSA-N 1 1 328.376 1.675 20 5 EDBDMO C[C@H](O)C[N@@H+](C)C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000434958595 320008296 /nfs/dbraw/zinc/00/82/96/320008296.db2.gz NZXLLVFZVVCSOD-JTQLQIEISA-N 1 1 328.800 1.925 20 5 EDBDMO C[C@H]([NH3+])CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440342666 320072703 /nfs/dbraw/zinc/07/27/03/320072703.db2.gz RZHXCJVFTHSAOW-LURJTMIESA-N 1 1 342.204 1.917 20 5 EDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H](C)C1 ZINC000452121576 320243159 /nfs/dbraw/zinc/24/31/59/320243159.db2.gz KNHKYAQQTMJNED-WDMOLILDSA-N 1 1 334.376 1.498 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000281021311 443798008 /nfs/dbraw/zinc/79/80/08/443798008.db2.gz PPUXOVDOFITMBI-CYBMUJFWSA-N 1 1 335.408 1.855 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000298468204 443776630 /nfs/dbraw/zinc/77/66/30/443776630.db2.gz ADSHWCUMPHKLEB-CZUORRHYSA-N 1 1 336.388 1.835 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000281089097 443814804 /nfs/dbraw/zinc/81/48/04/443814804.db2.gz CXTCRIWZBPTQMQ-AWEZNQCLSA-N 1 1 341.433 1.841 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000281121873 443825362 /nfs/dbraw/zinc/82/53/62/443825362.db2.gz WVTRVBQHFGMOFF-CQSZACIVSA-N 1 1 335.408 1.705 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000276802468 443833858 /nfs/dbraw/zinc/83/38/58/443833858.db2.gz KWJDRFRGIPJMEC-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000276802468 443833861 /nfs/dbraw/zinc/83/38/61/443833861.db2.gz KWJDRFRGIPJMEC-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])[C@H]2C1 ZINC000285050372 443836991 /nfs/dbraw/zinc/83/69/91/443836991.db2.gz BHNIZIUUGZETAJ-STQMWFEESA-N 1 1 339.779 1.793 20 5 EDBDMO C[C@@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000288428341 443877727 /nfs/dbraw/zinc/87/77/27/443877727.db2.gz XTVPWSMCVOJHKM-CZUORRHYSA-N 1 1 343.387 1.571 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293071600 443918080 /nfs/dbraw/zinc/91/80/80/443918080.db2.gz IZDBJSSHUDHPOJ-GFCCVEGCSA-N 1 1 337.376 1.636 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000293071600 443918084 /nfs/dbraw/zinc/91/80/84/443918084.db2.gz IZDBJSSHUDHPOJ-GFCCVEGCSA-N 1 1 337.376 1.636 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285379701 443962135 /nfs/dbraw/zinc/96/21/35/443962135.db2.gz CSCGHQIFEIQLDG-ZDUSSCGKSA-N 1 1 329.360 1.712 20 5 EDBDMO C[C@H](C(=O)Nc1ncccn1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285425922 443979941 /nfs/dbraw/zinc/97/99/41/443979941.db2.gz WDIMKHJFPORDHU-GFCCVEGCSA-N 1 1 329.360 1.886 20 5 EDBDMO C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285425922 443979944 /nfs/dbraw/zinc/97/99/44/443979944.db2.gz WDIMKHJFPORDHU-GFCCVEGCSA-N 1 1 329.360 1.886 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000288816606 443990566 /nfs/dbraw/zinc/99/05/66/443990566.db2.gz HASKSQAILTWVEA-UHFFFAOYSA-N 1 1 339.396 1.823 20 5 EDBDMO CN(CCCN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC[NH+](C)C ZINC000288816606 443990567 /nfs/dbraw/zinc/99/05/67/443990567.db2.gz HASKSQAILTWVEA-UHFFFAOYSA-N 1 1 339.396 1.823 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000299234275 443990691 /nfs/dbraw/zinc/99/06/91/443990691.db2.gz JPGDHHMDCAZVFB-AAEUAGOBSA-N 1 1 346.387 1.583 20 5 EDBDMO CN(C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)S(C)(=O)=O ZINC000285601861 444044502 /nfs/dbraw/zinc/04/45/02/444044502.db2.gz MBLVMMGDECOTRD-AWEZNQCLSA-N 1 1 341.433 1.698 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)S(C)(=O)=O ZINC000285601861 444044506 /nfs/dbraw/zinc/04/45/06/444044506.db2.gz MBLVMMGDECOTRD-AWEZNQCLSA-N 1 1 341.433 1.698 20 5 EDBDMO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000293431458 444016068 /nfs/dbraw/zinc/01/60/68/444016068.db2.gz NXJCVRFDNDBICE-UONOGXRCSA-N 1 1 332.404 1.584 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281851748 444023020 /nfs/dbraw/zinc/02/30/20/444023020.db2.gz NONFGZCFDLENSL-HOTGVXAUSA-N 1 1 347.346 1.704 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281851748 444023024 /nfs/dbraw/zinc/02/30/24/444023024.db2.gz NONFGZCFDLENSL-HOTGVXAUSA-N 1 1 347.346 1.704 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000285680816 444070744 /nfs/dbraw/zinc/07/07/44/444070744.db2.gz HRXYDBCXIMECSV-KGLIPLIRSA-N 1 1 339.779 1.793 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000299538998 444073648 /nfs/dbraw/zinc/07/36/48/444073648.db2.gz UBEDWAMZBXRVSM-CHWSQXEVSA-N 1 1 337.424 1.726 20 5 EDBDMO CCC[C@]1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281986193 444055995 /nfs/dbraw/zinc/05/59/95/444055995.db2.gz IAINYVWOYRZVBG-QGZVFWFLSA-N 1 1 348.403 1.914 20 5 EDBDMO CCC[C@]1(C)C(=O)NCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281986193 444056000 /nfs/dbraw/zinc/05/60/00/444056000.db2.gz IAINYVWOYRZVBG-QGZVFWFLSA-N 1 1 348.403 1.914 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@H]2C1 ZINC000285723281 444085978 /nfs/dbraw/zinc/08/59/78/444085978.db2.gz JXSHPPXAIGHJAA-KBPBESRZSA-N 1 1 339.779 1.793 20 5 EDBDMO CC(C)[N@H+](C)C[C@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566005703 321210352 /nfs/dbraw/zinc/21/03/52/321210352.db2.gz BNCWIOSQLOTGOT-DZGCQCFKSA-N 1 1 325.409 1.653 20 5 EDBDMO CC(C)[N@@H+](C)C[C@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566005703 321210353 /nfs/dbraw/zinc/21/03/53/321210353.db2.gz BNCWIOSQLOTGOT-DZGCQCFKSA-N 1 1 325.409 1.653 20 5 EDBDMO CC(C)(C(=O)N1CC[NH2+]Cc2ccccc21)n1cc([N+](=O)[O-])cn1 ZINC000567890885 321266166 /nfs/dbraw/zinc/26/61/66/321266166.db2.gz GAZZHTFCMAUGJE-UHFFFAOYSA-N 1 1 329.360 1.663 20 5 EDBDMO COC(=O)[C@]1(C)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282219222 444117906 /nfs/dbraw/zinc/11/79/06/444117906.db2.gz YPNNOCSRHCJNIQ-INIZCTEOSA-N 1 1 335.360 1.951 20 5 EDBDMO COC(=O)[C@]1(C)CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282219222 444117909 /nfs/dbraw/zinc/11/79/09/444117909.db2.gz YPNNOCSRHCJNIQ-INIZCTEOSA-N 1 1 335.360 1.951 20 5 EDBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000285880776 444139399 /nfs/dbraw/zinc/13/93/99/444139399.db2.gz JKTYCDRPGCGLKX-GDBMZVCRSA-N 1 1 335.404 1.769 20 5 EDBDMO CCc1nn(C)c(NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000301361752 444167045 /nfs/dbraw/zinc/16/70/45/444167045.db2.gz OINYLQVPZRLAIJ-CQSZACIVSA-N 1 1 338.456 1.575 20 5 EDBDMO COc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000289672169 444189094 /nfs/dbraw/zinc/18/90/94/444189094.db2.gz FYTODABWIPQUFN-UKRRQHHQSA-N 1 1 335.404 1.898 20 5 EDBDMO Cc1ccc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000301800418 444190848 /nfs/dbraw/zinc/19/08/48/444190848.db2.gz BWDOSMVVODGIDF-HNNXBMFYSA-N 1 1 332.404 1.822 20 5 EDBDMO Cc1ccnc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000301827239 444192504 /nfs/dbraw/zinc/19/25/04/444192504.db2.gz PNIHFXNZARERPK-ZDUSSCGKSA-N 1 1 333.392 1.217 20 5 EDBDMO C[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000301885308 444195457 /nfs/dbraw/zinc/19/54/57/444195457.db2.gz LYWOBIDAZILMRD-JTQLQIEISA-N 1 1 327.406 1.893 20 5 EDBDMO CC(C)OCC[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302019203 444200683 /nfs/dbraw/zinc/20/06/83/444200683.db2.gz ZXEBTNSOWFILKL-UHFFFAOYSA-N 1 1 334.380 1.185 20 5 EDBDMO COC[C@]1(C)CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000296536097 444236890 /nfs/dbraw/zinc/23/68/90/444236890.db2.gz BDXJZNPBCZFGSF-MRXNPFEDSA-N 1 1 337.376 1.900 20 5 EDBDMO COC[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000296536097 444236892 /nfs/dbraw/zinc/23/68/92/444236892.db2.gz BDXJZNPBCZFGSF-MRXNPFEDSA-N 1 1 337.376 1.900 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000290635635 444303972 /nfs/dbraw/zinc/30/39/72/444303972.db2.gz MEYLXEZFIOMKKI-UHFFFAOYSA-N 1 1 338.408 1.256 20 5 EDBDMO CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-])CC[NH+](C)C ZINC000290635635 444303974 /nfs/dbraw/zinc/30/39/74/444303974.db2.gz MEYLXEZFIOMKKI-UHFFFAOYSA-N 1 1 338.408 1.256 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000297635307 444311859 /nfs/dbraw/zinc/31/18/59/444311859.db2.gz XIYQCRUEBPLPKG-DGCLKSJQSA-N 1 1 341.433 1.775 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000290591816 444299069 /nfs/dbraw/zinc/29/90/69/444299069.db2.gz IQAJWMDXHQYNLV-UHFFFAOYSA-N 1 1 342.827 1.862 20 5 EDBDMO CN(CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])CC[NH+](C)C ZINC000290591816 444299071 /nfs/dbraw/zinc/29/90/71/444299071.db2.gz IQAJWMDXHQYNLV-UHFFFAOYSA-N 1 1 342.827 1.862 20 5 EDBDMO COc1cccc(C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)c1[N+](=O)[O-] ZINC000578858803 321842439 /nfs/dbraw/zinc/84/24/39/321842439.db2.gz VBEOUJLKJVYPDH-LBPRGKRZSA-N 1 1 345.359 1.124 20 5 EDBDMO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000580553246 322065908 /nfs/dbraw/zinc/06/59/08/322065908.db2.gz ZGAQGFNGHVXBLL-NEPJUHHUSA-N 1 1 347.375 1.223 20 5 EDBDMO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000580553249 322066113 /nfs/dbraw/zinc/06/61/13/322066113.db2.gz ZGAQGFNGHVXBLL-VXGBXAGGSA-N 1 1 347.375 1.223 20 5 EDBDMO CCOc1ccc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000581676302 322208288 /nfs/dbraw/zinc/20/82/88/322208288.db2.gz RHCLKOPYVVUAGN-UHFFFAOYSA-N 1 1 345.359 1.679 20 5 EDBDMO C[C@@H](SC[C@H]1C[N@H+](C)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000581824141 322221016 /nfs/dbraw/zinc/22/10/16/322221016.db2.gz ZDVSOXZNYQJKSS-BXUZGUMPSA-N 1 1 339.417 1.986 20 5 EDBDMO C[C@@H](SC[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000581824141 322221018 /nfs/dbraw/zinc/22/10/18/322221018.db2.gz ZDVSOXZNYQJKSS-BXUZGUMPSA-N 1 1 339.417 1.986 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000342455145 444698625 /nfs/dbraw/zinc/69/86/25/444698625.db2.gz GXNKMBHTPGEKKQ-TUAOUCFPSA-N 1 1 328.340 1.583 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000342455145 444698630 /nfs/dbraw/zinc/69/86/30/444698630.db2.gz GXNKMBHTPGEKKQ-TUAOUCFPSA-N 1 1 328.340 1.583 20 5 EDBDMO Cc1sc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000342487270 444712515 /nfs/dbraw/zinc/71/25/15/444712515.db2.gz BRGJWAAOXPSLLB-JQWIXIFHSA-N 1 1 345.446 1.679 20 5 EDBDMO Cc1sc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000342487270 444712518 /nfs/dbraw/zinc/71/25/18/444712518.db2.gz BRGJWAAOXPSLLB-JQWIXIFHSA-N 1 1 345.446 1.679 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343999528 444718988 /nfs/dbraw/zinc/71/89/88/444718988.db2.gz YYCQQJFPTCSXMF-SMDDNHRTSA-N 1 1 341.433 1.918 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000343999528 444718992 /nfs/dbraw/zinc/71/89/92/444718992.db2.gz YYCQQJFPTCSXMF-SMDDNHRTSA-N 1 1 341.433 1.918 20 5 EDBDMO CS[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000342539596 444736494 /nfs/dbraw/zinc/73/64/94/444736494.db2.gz GEPXMJDMJFJEFZ-CABCVRRESA-N 1 1 325.434 1.951 20 5 EDBDMO C[C@H]1C[C@H](CO)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344139169 444803306 /nfs/dbraw/zinc/80/33/06/444803306.db2.gz YQIVHXWRYSFBLG-QWHCGFSZSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@H]1C[C@H](CO)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344139169 444803307 /nfs/dbraw/zinc/80/33/07/444803307.db2.gz YQIVHXWRYSFBLG-QWHCGFSZSA-N 1 1 333.388 1.577 20 5 EDBDMO COC[C@H]1C[C@H](OC)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000344351687 444912947 /nfs/dbraw/zinc/91/29/47/444912947.db2.gz LFGDTUQOKNCUKL-KGLIPLIRSA-N 1 1 348.359 1.881 20 5 EDBDMO COC[C@H]1C[C@H](OC)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000344351687 444912951 /nfs/dbraw/zinc/91/29/51/444912951.db2.gz LFGDTUQOKNCUKL-KGLIPLIRSA-N 1 1 348.359 1.881 20 5 EDBDMO Cc1c(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000338967998 444960284 /nfs/dbraw/zinc/96/02/84/444960284.db2.gz ZJFYWCOHJNAEAC-ZDUSSCGKSA-N 1 1 348.403 1.220 20 5 EDBDMO COc1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000330594015 445052466 /nfs/dbraw/zinc/05/24/66/445052466.db2.gz AQWUKPGGGGWHDV-MNOVXSKESA-N 1 1 337.376 1.777 20 5 EDBDMO COc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000330594015 445052470 /nfs/dbraw/zinc/05/24/70/445052470.db2.gz AQWUKPGGGGWHDV-MNOVXSKESA-N 1 1 337.376 1.777 20 5 EDBDMO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000330815073 445151899 /nfs/dbraw/zinc/15/18/99/445151899.db2.gz LYHIIGWYOUSCOR-CHWSQXEVSA-N 1 1 341.433 1.839 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000330815073 445151902 /nfs/dbraw/zinc/15/19/02/445151902.db2.gz LYHIIGWYOUSCOR-CHWSQXEVSA-N 1 1 341.433 1.839 20 5 EDBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C(N)=O ZINC000346590653 445219069 /nfs/dbraw/zinc/21/90/69/445219069.db2.gz QXERHDKVWVBCDH-RISCZKNCSA-N 1 1 344.371 1.846 20 5 EDBDMO COC(=O)c1cc(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000343495604 445233898 /nfs/dbraw/zinc/23/38/98/445233898.db2.gz GUUNTTJNSLHBDP-YGRLFVJLSA-N 1 1 335.360 1.594 20 5 EDBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000348331526 445259412 /nfs/dbraw/zinc/25/94/12/445259412.db2.gz JWWCJOMZOCKIES-LBPRGKRZSA-N 1 1 343.380 1.591 20 5 EDBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000348331526 445259417 /nfs/dbraw/zinc/25/94/17/445259417.db2.gz JWWCJOMZOCKIES-LBPRGKRZSA-N 1 1 343.380 1.591 20 5 EDBDMO CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000348198538 445313394 /nfs/dbraw/zinc/31/33/94/445313394.db2.gz NWFCVDCWJBXEIX-JKSUJKDBSA-N 1 1 335.404 1.503 20 5 EDBDMO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000348198538 445313398 /nfs/dbraw/zinc/31/33/98/445313398.db2.gz NWFCVDCWJBXEIX-JKSUJKDBSA-N 1 1 335.404 1.503 20 5 EDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000348198538 445313402 /nfs/dbraw/zinc/31/34/02/445313402.db2.gz NWFCVDCWJBXEIX-JKSUJKDBSA-N 1 1 335.404 1.503 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000362412134 445368046 /nfs/dbraw/zinc/36/80/46/445368046.db2.gz YFEIRAMWEFTYEZ-PXAZEXFGSA-N 1 1 346.387 1.524 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000362412134 445368050 /nfs/dbraw/zinc/36/80/50/445368050.db2.gz YFEIRAMWEFTYEZ-PXAZEXFGSA-N 1 1 346.387 1.524 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000351998589 445427829 /nfs/dbraw/zinc/42/78/29/445427829.db2.gz WLDZKYCVOSKMDH-UKRRQHHQSA-N 1 1 335.404 1.898 20 5 EDBDMO C[N@H+](CCc1cnccn1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000357048619 445394536 /nfs/dbraw/zinc/39/45/36/445394536.db2.gz ZYOFMOVFXCLFHW-MRXNPFEDSA-N 1 1 341.371 1.665 20 5 EDBDMO C[N@@H+](CCc1cnccn1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000357048619 445394540 /nfs/dbraw/zinc/39/45/40/445394540.db2.gz ZYOFMOVFXCLFHW-MRXNPFEDSA-N 1 1 341.371 1.665 20 5 EDBDMO C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356047990 445589776 /nfs/dbraw/zinc/58/97/76/445589776.db2.gz OVFODMOMJZTSPL-RISCZKNCSA-N 1 1 346.387 1.603 20 5 EDBDMO Cc1sc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000363103950 445679408 /nfs/dbraw/zinc/67/94/08/445679408.db2.gz LJYQTZCIFSWQSI-WDEREUQCSA-N 1 1 325.390 1.558 20 5 EDBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000363106405 445680667 /nfs/dbraw/zinc/68/06/67/445680667.db2.gz KWEMLROACJLSAR-UHFFFAOYSA-N 1 1 341.331 1.709 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363217989 445726100 /nfs/dbraw/zinc/72/61/00/445726100.db2.gz DLIFGOZCZNYIJA-KRWDZBQOSA-N 1 1 348.447 1.815 20 5 EDBDMO Cc1c(CN2CCO[C@@H](C[NH+]3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000363492312 445829870 /nfs/dbraw/zinc/82/98/70/445829870.db2.gz AXDOKXRERYPTLZ-KRWDZBQOSA-N 1 1 348.447 1.351 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000356433356 445787037 /nfs/dbraw/zinc/78/70/37/445787037.db2.gz XEYJKCIXPGYTOS-UHFFFAOYSA-N 1 1 349.416 1.390 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000363443832 445805852 /nfs/dbraw/zinc/80/58/52/445805852.db2.gz ZFJUSDDFFQCOJF-LRDDRELGSA-N 1 1 347.371 1.869 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000363443832 445805857 /nfs/dbraw/zinc/80/58/57/445805857.db2.gz ZFJUSDDFFQCOJF-LRDDRELGSA-N 1 1 347.371 1.869 20 5 EDBDMO CCCN1CC[NH+](C2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000369155495 445958682 /nfs/dbraw/zinc/95/86/82/445958682.db2.gz LILPXIPTZGNKMH-UHFFFAOYSA-N 1 1 333.436 1.986 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000373090902 446021517 /nfs/dbraw/zinc/02/15/17/446021517.db2.gz BNQAQVZKRSHKJW-ZFWWWQNUSA-N 1 1 333.388 1.574 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000351340933 446036578 /nfs/dbraw/zinc/03/65/78/446036578.db2.gz OXUWTDSHLMSTLC-OAHLLOKOSA-N 1 1 329.356 1.790 20 5 EDBDMO C[C@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1c1ccccc1[N+](=O)[O-] ZINC000365147023 446052294 /nfs/dbraw/zinc/05/22/94/446052294.db2.gz RCOGEVJNGLOFLG-GJZGRUSLSA-N 1 1 334.420 1.436 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1c1ccccc1[N+](=O)[O-] ZINC000365147023 446052299 /nfs/dbraw/zinc/05/22/99/446052299.db2.gz RCOGEVJNGLOFLG-GJZGRUSLSA-N 1 1 334.420 1.436 20 5 EDBDMO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[N@H+]1CCCC[C@@H]1C ZINC000354270919 446066722 /nfs/dbraw/zinc/06/67/22/446066722.db2.gz CIMHLIJNCBWSGB-QWHCGFSZSA-N 1 1 336.392 1.136 20 5 EDBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000356874968 446088123 /nfs/dbraw/zinc/08/81/23/446088123.db2.gz IEDOQFFBQKQDFH-MNOVXSKESA-N 1 1 337.376 1.777 20 5 EDBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000356874968 446088127 /nfs/dbraw/zinc/08/81/27/446088127.db2.gz IEDOQFFBQKQDFH-MNOVXSKESA-N 1 1 337.376 1.777 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000362074692 446195020 /nfs/dbraw/zinc/19/50/20/446195020.db2.gz GHBGJGLAIPJVOE-SDDRHHMPSA-N 1 1 337.376 1.491 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000362074692 446195025 /nfs/dbraw/zinc/19/50/25/446195025.db2.gz GHBGJGLAIPJVOE-SDDRHHMPSA-N 1 1 337.376 1.491 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362075186 446195377 /nfs/dbraw/zinc/19/53/77/446195377.db2.gz HVHVGOGCFFPPBV-RYUDHWBXSA-N 1 1 337.376 1.492 20 5 EDBDMO COC(=O)[C@]12C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000366462130 446224060 /nfs/dbraw/zinc/22/40/60/446224060.db2.gz LJCBMYBNWVNMEN-BLLLJJGKSA-N 1 1 338.335 1.745 20 5 EDBDMO NC(=O)c1ncn([C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000370429537 446274845 /nfs/dbraw/zinc/27/48/45/446274845.db2.gz BDRXHTQFADLCKU-AWEZNQCLSA-N 1 1 344.375 1.165 20 5 EDBDMO NC(=O)c1ccc(C[NH+]2CCC(c3cnccn3)CC2)c([N+](=O)[O-])c1 ZINC000370452518 446285297 /nfs/dbraw/zinc/28/52/97/446285297.db2.gz KKKPXZVAPIWWAQ-UHFFFAOYSA-N 1 1 341.371 1.863 20 5 EDBDMO Cc1ccc(C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000366687581 446311050 /nfs/dbraw/zinc/31/10/50/446311050.db2.gz WWPXHSIBVINTIA-UHFFFAOYSA-N 1 1 335.404 1.822 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CCN3C(=O)OC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000370557699 446331550 /nfs/dbraw/zinc/33/15/50/446331550.db2.gz OZDHDQKISNVQES-GFCCVEGCSA-N 1 1 348.359 1.368 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCN3C(=O)OC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000370557699 446331553 /nfs/dbraw/zinc/33/15/53/446331553.db2.gz OZDHDQKISNVQES-GFCCVEGCSA-N 1 1 348.359 1.368 20 5 EDBDMO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000376345833 446444843 /nfs/dbraw/zinc/44/48/43/446444843.db2.gz CYLWECQINSUZTK-MNOVXSKESA-N 1 1 345.446 1.904 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000376306542 446421623 /nfs/dbraw/zinc/42/16/23/446421623.db2.gz UNVRZABQCHKRMQ-HNNXBMFYSA-N 1 1 339.417 1.559 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000376306542 446421624 /nfs/dbraw/zinc/42/16/24/446421624.db2.gz UNVRZABQCHKRMQ-HNNXBMFYSA-N 1 1 339.417 1.559 20 5 EDBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000370908547 446513744 /nfs/dbraw/zinc/51/37/44/446513744.db2.gz DSBCHJYNJXXCAN-CYBMUJFWSA-N 1 1 348.403 1.232 20 5 EDBDMO O=c1[nH]c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000367711719 446577292 /nfs/dbraw/zinc/57/72/92/446577292.db2.gz FCZIOIMCGUIZEZ-WDEREUQCSA-N 1 1 329.360 2.282 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420584323 446691124 /nfs/dbraw/zinc/69/11/24/446691124.db2.gz LYMIFPXEANCATG-GFCCVEGCSA-N 1 1 336.392 1.462 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@H]2[C@H]1c1ccccc1 ZINC000371301070 446755463 /nfs/dbraw/zinc/75/54/63/446755463.db2.gz DAGLCBSPNTVDEZ-XJKCOSOUSA-N 1 1 341.371 1.693 20 5 EDBDMO C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375391227 446766164 /nfs/dbraw/zinc/76/61/64/446766164.db2.gz KPVPTDFDCASELW-UONOGXRCSA-N 1 1 335.408 1.829 20 5 EDBDMO C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375391227 446766169 /nfs/dbraw/zinc/76/61/69/446766169.db2.gz KPVPTDFDCASELW-UONOGXRCSA-N 1 1 335.408 1.829 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000412068604 446829788 /nfs/dbraw/zinc/82/97/88/446829788.db2.gz FEVTYHDKARXHNS-IUODEOHRSA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000412068604 446829793 /nfs/dbraw/zinc/82/97/93/446829793.db2.gz FEVTYHDKARXHNS-IUODEOHRSA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420769277 446807258 /nfs/dbraw/zinc/80/72/58/446807258.db2.gz PCCAQEIJMVKNFJ-ZDUSSCGKSA-N 1 1 341.433 1.926 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000371542460 446924517 /nfs/dbraw/zinc/92/45/17/446924517.db2.gz KSPWXXRYXURZKV-GHMZBOCLSA-N 1 1 347.400 1.956 20 5 EDBDMO CNC(=O)[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000420970887 446941901 /nfs/dbraw/zinc/94/19/01/446941901.db2.gz HGBQAUMVKPPHGM-CYBMUJFWSA-N 1 1 344.371 1.860 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000368663785 447015142 /nfs/dbraw/zinc/01/51/42/447015142.db2.gz RJPOFAOFECSFGS-HUUCEWRRSA-N 1 1 337.351 1.405 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@]12CCOC2 ZINC000421026743 446996318 /nfs/dbraw/zinc/99/63/18/446996318.db2.gz STROIBIQUIYAMM-MRXNPFEDSA-N 1 1 333.344 1.758 20 5 EDBDMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425218571 447069305 /nfs/dbraw/zinc/06/93/05/447069305.db2.gz YJJRRFXUCBMEGQ-DZGCQCFKSA-N 1 1 339.417 1.451 20 5 EDBDMO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000444389321 447100463 /nfs/dbraw/zinc/10/04/63/447100463.db2.gz AZEXGXQGOWQGJS-NSHDSACASA-N 1 1 336.392 1.094 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000375818125 447077675 /nfs/dbraw/zinc/07/76/75/447077675.db2.gz VVFJSSFYTBRLSU-GJZGRUSLSA-N 1 1 332.404 1.752 20 5 EDBDMO O=C(CC[N@H+]1CC[C@H](n2cncn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000368882333 447176821 /nfs/dbraw/zinc/17/68/21/447176821.db2.gz NGWYPYBXSPKAOD-LBPRGKRZSA-N 1 1 348.338 1.601 20 5 EDBDMO CCc1nn(C)c(N2CCC[N@@H+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000372591890 447167933 /nfs/dbraw/zinc/16/79/33/447167933.db2.gz HMGPWTYFUBLIQW-UHFFFAOYSA-N 1 1 325.413 1.174 20 5 EDBDMO Cc1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(N)c([N+](=O)[O-])c1 ZINC000369020710 447268983 /nfs/dbraw/zinc/26/89/83/447268983.db2.gz ANZDQNPNRGSWQT-VXGBXAGGSA-N 1 1 334.376 1.078 20 5 EDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457115586 447522070 /nfs/dbraw/zinc/52/20/70/447522070.db2.gz IQTTUTRGMHQNMJ-NSHDSACASA-N 1 1 332.360 1.215 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457115586 447522072 /nfs/dbraw/zinc/52/20/72/447522072.db2.gz IQTTUTRGMHQNMJ-NSHDSACASA-N 1 1 332.360 1.215 20 5 EDBDMO CSc1ccc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000457136190 447534584 /nfs/dbraw/zinc/53/45/84/447534584.db2.gz VDMIVOGQVKFVLV-NSHDSACASA-N 1 1 339.417 1.455 20 5 EDBDMO CSc1ccc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000457136190 447534590 /nfs/dbraw/zinc/53/45/90/447534590.db2.gz VDMIVOGQVKFVLV-NSHDSACASA-N 1 1 339.417 1.455 20 5 EDBDMO C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@H+]1CCO ZINC000416292117 447557857 /nfs/dbraw/zinc/55/78/57/447557857.db2.gz IJEBDINOYRSROX-NEPJUHHUSA-N 1 1 346.387 1.603 20 5 EDBDMO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000451081253 447672875 /nfs/dbraw/zinc/67/28/75/447672875.db2.gz DCZUJXSFXOOSPX-AWEZNQCLSA-N 1 1 346.431 1.974 20 5 EDBDMO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000458207024 447744626 /nfs/dbraw/zinc/74/46/26/447744626.db2.gz VEFVWSOZXLVYNY-UHFFFAOYSA-N 1 1 337.405 1.892 20 5 EDBDMO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000429761973 447757193 /nfs/dbraw/zinc/75/71/93/447757193.db2.gz PCJIICYIQBMHEM-OLZOCXBDSA-N 1 1 345.359 1.649 20 5 EDBDMO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000451938337 447791673 /nfs/dbraw/zinc/79/16/73/447791673.db2.gz WRJVVQPNABIWPA-AWEZNQCLSA-N 1 1 341.433 1.841 20 5 EDBDMO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000451938337 447791676 /nfs/dbraw/zinc/79/16/76/447791676.db2.gz WRJVVQPNABIWPA-AWEZNQCLSA-N 1 1 341.433 1.841 20 5 EDBDMO CC(C)[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@H+]1C ZINC000487951958 447838672 /nfs/dbraw/zinc/83/86/72/447838672.db2.gz IEBVFVAVGJSEID-SJORKVTESA-N 1 1 346.431 1.972 20 5 EDBDMO COC[C@]1(C)CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000570591314 448034800 /nfs/dbraw/zinc/03/48/00/448034800.db2.gz DZAHIDNZYXJENK-RHSMWYFYSA-N 1 1 347.371 1.585 20 5 EDBDMO COC[C@]1(C)CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000570591314 448034803 /nfs/dbraw/zinc/03/48/03/448034803.db2.gz DZAHIDNZYXJENK-RHSMWYFYSA-N 1 1 347.371 1.585 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531823631 448153808 /nfs/dbraw/zinc/15/38/08/448153808.db2.gz KJKSTQQFXCUAPP-CABZTGNLSA-N 1 1 333.344 1.536 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCCO)C1CC1 ZINC000591014521 448230856 /nfs/dbraw/zinc/23/08/56/448230856.db2.gz FHRUJGMBASLWKF-UHFFFAOYSA-N 1 1 337.376 1.779 20 5 EDBDMO C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000563373703 448298540 /nfs/dbraw/zinc/29/85/40/448298540.db2.gz KSWGOXJDBOYSAS-GFCCVEGCSA-N 1 1 343.387 1.822 20 5 EDBDMO CC[N@@H+](CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])CCC(F)(F)F ZINC000577961867 448428874 /nfs/dbraw/zinc/42/88/74/448428874.db2.gz FOPXGVYBWKZJBE-UHFFFAOYSA-N 1 1 349.313 1.576 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)Cc1cnc[nH]1 ZINC000567250306 448650008 /nfs/dbraw/zinc/65/00/08/448650008.db2.gz HBKDKPCAKWUNCU-UHFFFAOYSA-N 1 1 331.332 1.532 20 5 EDBDMO Cc1cc(C[C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000574071874 448785307 /nfs/dbraw/zinc/78/53/07/448785307.db2.gz NLUPWQBXIMVTPA-SMDDNHRTSA-N 1 1 334.376 1.587 20 5 EDBDMO Nc1cc(NCCc2cn3c([nH+]2)CCCC3)cc(CO)c1[N+](=O)[O-] ZINC000587133071 448836206 /nfs/dbraw/zinc/83/62/06/448836206.db2.gz STBKYYYQJHAMRH-UHFFFAOYSA-N 1 1 331.376 1.857 20 5 EDBDMO CS(=O)(=O)c1ccc(N[C@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000588067873 448866272 /nfs/dbraw/zinc/86/62/72/448866272.db2.gz WEDOESJWOSKYPL-JTQLQIEISA-N 1 1 336.373 1.622 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588020933 448858395 /nfs/dbraw/zinc/85/83/95/448858395.db2.gz ZYZGITIUJPTSPF-LBPRGKRZSA-N 1 1 337.424 1.107 20 5 EDBDMO CNc1nccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000575193303 449059419 /nfs/dbraw/zinc/05/94/19/449059419.db2.gz CRAZTCKWFSWTBE-JTQLQIEISA-N 1 1 332.364 1.603 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000589930481 449085030 /nfs/dbraw/zinc/08/50/30/449085030.db2.gz YCIPFMGRPDYPTR-JSGCOSHPSA-N 1 1 339.417 1.482 20 5 EDBDMO C[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593088449 449128699 /nfs/dbraw/zinc/12/86/99/449128699.db2.gz DMYNKJOVBCPXAM-DZGCQCFKSA-N 1 1 336.388 1.978 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593088449 449128703 /nfs/dbraw/zinc/12/87/03/449128703.db2.gz DMYNKJOVBCPXAM-DZGCQCFKSA-N 1 1 336.388 1.978 20 5 EDBDMO O=C(C[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595634326 449091566 /nfs/dbraw/zinc/09/15/66/449091566.db2.gz IIPBHXHPJWHGSK-IJEWVQPXSA-N 1 1 345.399 1.577 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000590010597 449095391 /nfs/dbraw/zinc/09/53/91/449095391.db2.gz BAXMEMDWKCSUEH-CZUORRHYSA-N 1 1 332.404 1.868 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590010597 449095397 /nfs/dbraw/zinc/09/53/97/449095397.db2.gz BAXMEMDWKCSUEH-CZUORRHYSA-N 1 1 332.404 1.868 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590010597 449095403 /nfs/dbraw/zinc/09/54/03/449095403.db2.gz BAXMEMDWKCSUEH-CZUORRHYSA-N 1 1 332.404 1.868 20 5 EDBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595678626 449115372 /nfs/dbraw/zinc/11/53/72/449115372.db2.gz RPRVKEVLVQPMSK-XJKSGUPXSA-N 1 1 347.415 1.967 20 5 EDBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595680332 449116499 /nfs/dbraw/zinc/11/64/99/449116499.db2.gz ZLUPGURSDWEQEZ-XJKSGUPXSA-N 1 1 347.415 1.967 20 5 EDBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000595701170 449124701 /nfs/dbraw/zinc/12/47/01/449124701.db2.gz QXBWHTBATKIDCX-FRFSOERESA-N 1 1 338.404 1.817 20 5 EDBDMO CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C)C1 ZINC000597946354 449154473 /nfs/dbraw/zinc/15/44/73/449154473.db2.gz OYFPDKPGXGYXOM-SNVBAGLBSA-N 1 1 327.331 1.968 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000600034336 449155457 /nfs/dbraw/zinc/15/54/57/449155457.db2.gz GFTTVWOKKWIJGW-ZDUSSCGKSA-N 1 1 348.403 1.690 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000590443565 449165907 /nfs/dbraw/zinc/16/59/07/449165907.db2.gz KTASRHILBUWXHM-WBMJQRKESA-N 1 1 341.371 1.557 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000595736577 449138434 /nfs/dbraw/zinc/13/84/34/449138434.db2.gz MOVPFJKJOIYADC-STQMWFEESA-N 1 1 337.376 1.577 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000595736577 449138437 /nfs/dbraw/zinc/13/84/37/449138437.db2.gz MOVPFJKJOIYADC-STQMWFEESA-N 1 1 337.376 1.577 20 5 EDBDMO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593120842 449144773 /nfs/dbraw/zinc/14/47/73/449144773.db2.gz FNWXFAJXPJIYHN-CHWSQXEVSA-N 1 1 342.396 1.204 20 5 EDBDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593120842 449144778 /nfs/dbraw/zinc/14/47/78/449144778.db2.gz FNWXFAJXPJIYHN-CHWSQXEVSA-N 1 1 342.396 1.204 20 5 EDBDMO COc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000590403014 449149683 /nfs/dbraw/zinc/14/96/83/449149683.db2.gz WFTLWXTUJBDBRX-HIFRSBDPSA-N 1 1 349.387 1.539 20 5 EDBDMO O=C(CC[N@@H+]1CCc2nccnc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595851909 449208161 /nfs/dbraw/zinc/20/81/61/449208161.db2.gz VMLBLHXBQGVTOB-UHFFFAOYSA-N 1 1 327.344 1.772 20 5 EDBDMO O=C(CC[N@H+]1CCc2nccnc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595851909 449208169 /nfs/dbraw/zinc/20/81/69/449208169.db2.gz VMLBLHXBQGVTOB-UHFFFAOYSA-N 1 1 327.344 1.772 20 5 EDBDMO COc1cc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1C ZINC000590548912 449184223 /nfs/dbraw/zinc/18/42/23/449184223.db2.gz HYXRXRGZXKXZMV-UONOGXRCSA-N 1 1 349.387 1.193 20 5 EDBDMO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595829513 449194058 /nfs/dbraw/zinc/19/40/58/449194058.db2.gz QSQHNRLLFGQFJM-GFCCVEGCSA-N 1 1 343.387 1.915 20 5 EDBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595829513 449194061 /nfs/dbraw/zinc/19/40/61/449194061.db2.gz QSQHNRLLFGQFJM-GFCCVEGCSA-N 1 1 343.387 1.915 20 5 EDBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@H](CO)C1 ZINC000601980367 449261903 /nfs/dbraw/zinc/26/19/03/449261903.db2.gz UIKZMHZIENYNCI-AWEZNQCLSA-N 1 1 346.362 1.909 20 5 EDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@H](CO)C1 ZINC000601980367 449261907 /nfs/dbraw/zinc/26/19/07/449261907.db2.gz UIKZMHZIENYNCI-AWEZNQCLSA-N 1 1 346.362 1.909 20 5 EDBDMO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)CO ZINC000595871993 449223515 /nfs/dbraw/zinc/22/35/15/449223515.db2.gz JHQZKNKBCWOPEX-SJCJKPOMSA-N 1 1 333.388 1.434 20 5 EDBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)CO ZINC000595871993 449223522 /nfs/dbraw/zinc/22/35/22/449223522.db2.gz JHQZKNKBCWOPEX-SJCJKPOMSA-N 1 1 333.388 1.434 20 5 EDBDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C(=O)N1c1cnn(C)c1 ZINC000611498278 449309873 /nfs/dbraw/zinc/30/98/73/449309873.db2.gz DQJGNEHTCORNRR-MEBBXXQBSA-N 1 1 347.350 1.751 20 5 EDBDMO Cc1cc(N2CC(N3CC[C@@H](O)C3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593502956 449312243 /nfs/dbraw/zinc/31/22/43/449312243.db2.gz GDDIAVNDMBEPQA-CQSZACIVSA-N 1 1 328.372 1.707 20 5 EDBDMO Cc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000593502956 449312251 /nfs/dbraw/zinc/31/22/51/449312251.db2.gz GDDIAVNDMBEPQA-CQSZACIVSA-N 1 1 328.372 1.707 20 5 EDBDMO Cc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000593502956 449312257 /nfs/dbraw/zinc/31/22/57/449312257.db2.gz GDDIAVNDMBEPQA-CQSZACIVSA-N 1 1 328.372 1.707 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCCCC2)O1 ZINC000594057710 449342639 /nfs/dbraw/zinc/34/26/39/449342639.db2.gz LVBYWHWTHGORHH-UKRRQHHQSA-N 1 1 338.408 1.576 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+](C[C@H](C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000594061925 449343850 /nfs/dbraw/zinc/34/38/50/449343850.db2.gz DAJUXSZISSWZTP-NSHDSACASA-N 1 1 337.376 1.777 20 5 EDBDMO Cn1c2cc(N[C@H]3CC[N@H+](C4CC4)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000596091050 449357961 /nfs/dbraw/zinc/35/79/61/449357961.db2.gz GDLVYRMFWNOJBZ-JTQLQIEISA-N 1 1 331.376 1.434 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598343368 449358547 /nfs/dbraw/zinc/35/85/47/449358547.db2.gz WHFUPGLHQQTQMR-AWEZNQCLSA-N 1 1 348.403 1.315 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598450650 449400979 /nfs/dbraw/zinc/40/09/79/449400979.db2.gz FBGUWYIXITYTOG-CQSZACIVSA-N 1 1 333.388 1.574 20 5 EDBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393852 449490510 /nfs/dbraw/zinc/49/05/10/449490510.db2.gz RWHRVJMCCHBKDF-BHYGNILZSA-N 1 1 347.415 1.441 20 5 EDBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596487872 449525680 /nfs/dbraw/zinc/52/56/80/449525680.db2.gz GQTTXTHAIDSEFP-OAHLLOKOSA-N 1 1 334.376 1.658 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)nc1 ZINC000594484590 449548680 /nfs/dbraw/zinc/54/86/80/449548680.db2.gz VHYLLRPHRPWSNT-OLZOCXBDSA-N 1 1 340.405 1.285 20 5 EDBDMO C[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594589747 449586896 /nfs/dbraw/zinc/58/68/96/449586896.db2.gz NBZCGGDCKOHKLN-SDDRHHMPSA-N 1 1 336.392 1.603 20 5 EDBDMO C[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594589747 449586900 /nfs/dbraw/zinc/58/69/00/449586900.db2.gz NBZCGGDCKOHKLN-SDDRHHMPSA-N 1 1 336.392 1.603 20 5 EDBDMO C[N@@H+](CCNS(=O)(=O)c1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC000594751865 449667251 /nfs/dbraw/zinc/66/72/51/449667251.db2.gz FHBXOXQCSUGFNF-UHFFFAOYSA-N 1 1 342.421 1.533 20 5 EDBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753790 449668000 /nfs/dbraw/zinc/66/80/00/449668000.db2.gz NLJRQGZRTHUUSS-LBPRGKRZSA-N 1 1 342.421 1.533 20 5 EDBDMO COC(=O)c1cc(C)nc(N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000601184821 449739603 /nfs/dbraw/zinc/73/96/03/449739603.db2.gz OQAPCPSPLBBMFQ-NWDGAFQWSA-N 1 1 334.376 1.473 20 5 EDBDMO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000594965780 449823036 /nfs/dbraw/zinc/82/30/36/449823036.db2.gz JQAYKKKTQGFHHB-XBJHSPDSSA-N 1 1 340.401 1.400 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000602828817 449840210 /nfs/dbraw/zinc/84/02/10/449840210.db2.gz UZBIBFDWEWXONS-QGZVFWFLSA-N 1 1 343.431 1.958 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000602828817 449840222 /nfs/dbraw/zinc/84/02/22/449840222.db2.gz UZBIBFDWEWXONS-QGZVFWFLSA-N 1 1 343.431 1.958 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CC1 ZINC000601334194 449842386 /nfs/dbraw/zinc/84/23/86/449842386.db2.gz YQCVHWJGHUXBAP-UHFFFAOYSA-N 1 1 333.435 1.727 20 5 EDBDMO Cn1cc(C[N@H+]2CCC(=O)N(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597214172 449874407 /nfs/dbraw/zinc/87/44/07/449874407.db2.gz LTUXTDBSCJTYOJ-UHFFFAOYSA-N 1 1 343.387 1.659 20 5 EDBDMO Cn1cc(C[N@@H+]2CCC(=O)N(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597214172 449874413 /nfs/dbraw/zinc/87/44/13/449874413.db2.gz LTUXTDBSCJTYOJ-UHFFFAOYSA-N 1 1 343.387 1.659 20 5 EDBDMO COc1ccc(CC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000609016220 449956692 /nfs/dbraw/zinc/95/66/92/449956692.db2.gz ISNYHSLDAUHZHP-KGLIPLIRSA-N 1 1 333.388 1.889 20 5 EDBDMO CC[C@]1(O)CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000602983385 449980449 /nfs/dbraw/zinc/98/04/49/449980449.db2.gz JHDDZLZJJQYTBC-RDJZCZTQSA-N 1 1 333.388 1.937 20 5 EDBDMO O=[N+]([O-])c1ccc2c(c1N1CC[NH+](C[C@H]3CCCO3)CC1)CCN2 ZINC000618150394 450029664 /nfs/dbraw/zinc/02/96/64/450029664.db2.gz PHDNTCCTXPSCFL-CYBMUJFWSA-N 1 1 332.404 1.864 20 5 EDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000609478996 450033514 /nfs/dbraw/zinc/03/35/14/450033514.db2.gz DKOCJCHXROUHCZ-NSHDSACASA-N 1 1 339.396 1.111 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000609560677 450051368 /nfs/dbraw/zinc/05/13/68/450051368.db2.gz KCJYIGGWEDWRHZ-NSHDSACASA-N 1 1 342.421 1.384 20 5 EDBDMO CNc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000597576699 450120719 /nfs/dbraw/zinc/12/07/19/450120719.db2.gz XTEQELNYFAHQMP-OCCSQVGLSA-N 1 1 336.367 1.895 20 5 EDBDMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599671597 450143156 /nfs/dbraw/zinc/14/31/56/450143156.db2.gz IINDHKNDIRNZLG-JGZJWPJOSA-N 1 1 327.768 1.889 20 5 EDBDMO COC(=O)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000599681681 450148764 /nfs/dbraw/zinc/14/87/64/450148764.db2.gz RZXMUXRYAJAZEH-HNNXBMFYSA-N 1 1 330.344 1.564 20 5 EDBDMO COC(=O)[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000599681681 450148771 /nfs/dbraw/zinc/14/87/71/450148771.db2.gz RZXMUXRYAJAZEH-HNNXBMFYSA-N 1 1 330.344 1.564 20 5 EDBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000610212372 450153787 /nfs/dbraw/zinc/15/37/87/450153787.db2.gz YQMVTPVVJFAZKH-NSHDSACASA-N 1 1 340.405 1.285 20 5 EDBDMO COC(=O)CCN1CC[C@@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000595485086 450176068 /nfs/dbraw/zinc/17/60/68/450176068.db2.gz RANOADCPLLGFCI-OAHLLOKOSA-N 1 1 349.387 1.233 20 5 EDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834699 450241139 /nfs/dbraw/zinc/24/11/39/450241139.db2.gz NBLROHCFZXCQJX-LLVKDONJSA-N 1 1 345.359 1.331 20 5 EDBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)n1 ZINC000618571849 450249750 /nfs/dbraw/zinc/24/97/50/450249750.db2.gz COCDUXVKCUHZKL-NEPJUHHUSA-N 1 1 332.368 1.386 20 5 EDBDMO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nnc2n1CCCCC2 ZINC000616012934 450300164 /nfs/dbraw/zinc/30/01/64/450300164.db2.gz ITVPIZSEJQLIPA-GFCCVEGCSA-N 1 1 346.391 1.425 20 5 EDBDMO O=[N+]([O-])c1ccccc1CCNc1nc(N2CCOCC2)cc[nH+]1 ZINC000610909177 450377354 /nfs/dbraw/zinc/37/73/54/450377354.db2.gz QLBRTAXCSMKQKM-UHFFFAOYSA-N 1 1 329.360 1.876 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000619567023 450507344 /nfs/dbraw/zinc/50/73/44/450507344.db2.gz ILCBZNZVHADVEQ-AWEZNQCLSA-N 1 1 348.403 1.267 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000171865619 529057669 /nfs/dbraw/zinc/05/76/69/529057669.db2.gz XUGYDQCBBVDDSO-LLVKDONJSA-N 1 1 344.371 1.650 20 5 EDBDMO CCC(CC)(NC(=O)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000353201768 534999076 /nfs/dbraw/zinc/99/90/76/534999076.db2.gz HUUBRALFRVQUQP-UHFFFAOYSA-N 1 1 348.403 1.187 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000332352283 535510206 /nfs/dbraw/zinc/51/02/06/535510206.db2.gz VRCLDROBIGTTGZ-UHFFFAOYSA-N 1 1 327.331 1.970 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000746526010 579599522 /nfs/dbraw/zinc/59/95/22/579599522.db2.gz VTIZSESONCVQIE-CYBMUJFWSA-N 1 1 345.403 1.793 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000748843414 579703545 /nfs/dbraw/zinc/70/35/45/579703545.db2.gz BSCABEUMASAGGG-CYBMUJFWSA-N 1 1 345.403 1.791 20 5 EDBDMO COCCOC[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749962468 579745596 /nfs/dbraw/zinc/74/55/96/579745596.db2.gz WVNCGRVEQREQKR-ZDUSSCGKSA-N 1 1 349.391 1.590 20 5 EDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777964390 580453649 /nfs/dbraw/zinc/45/36/49/580453649.db2.gz OZQYHVRQWBYJSX-ZBFHGGJFSA-N 1 1 341.371 1.769 20 5 EDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777964390 580453650 /nfs/dbraw/zinc/45/36/50/580453650.db2.gz OZQYHVRQWBYJSX-ZBFHGGJFSA-N 1 1 341.371 1.769 20 5 EDBDMO C/C(=C\C(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000752268580 579843663 /nfs/dbraw/zinc/84/36/63/579843663.db2.gz DWLMXOVHZLLHOQ-ISBHARSQSA-N 1 1 332.404 1.360 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@H](c3nccn3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000755792782 579935445 /nfs/dbraw/zinc/93/54/45/579935445.db2.gz WUNQKPTXXCQHNA-LBPRGKRZSA-N 1 1 341.375 1.828 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000768862236 580222863 /nfs/dbraw/zinc/22/28/63/580222863.db2.gz JKEBDMPKDXHSNY-CMPLNLGQSA-N 1 1 345.446 1.761 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000770222501 580255945 /nfs/dbraw/zinc/25/59/45/580255945.db2.gz LPVZDBXWBITDCR-CYBMUJFWSA-N 1 1 332.408 1.680 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 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CC[N@@H+](C)C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000072860948 216320919 /nfs/dbraw/zinc/32/09/19/216320919.db2.gz CVUNWRHYWBXBNL-CQSZACIVSA-N 1 1 346.431 1.758 20 5 EDBDMO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000363793321 284169959 /nfs/dbraw/zinc/16/99/59/284169959.db2.gz PROOLMGWMISLFY-HOTGVXAUSA-N 1 1 333.388 1.968 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000111220718 220113577 /nfs/dbraw/zinc/11/35/77/220113577.db2.gz MRSIKRGMWMCRHJ-NWDGAFQWSA-N 1 1 334.376 1.428 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000111220718 220113581 /nfs/dbraw/zinc/11/35/81/220113581.db2.gz MRSIKRGMWMCRHJ-NWDGAFQWSA-N 1 1 334.376 1.428 20 5 EDBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000111220984 220114138 /nfs/dbraw/zinc/11/41/38/220114138.db2.gz LQVOFTHIULUAKM-NWDGAFQWSA-N 1 1 334.376 1.143 20 5 EDBDMO 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ZINC000093808809 218249959 /nfs/dbraw/zinc/24/99/59/218249959.db2.gz QXBPJSOUAUBYFN-NSHDSACASA-N 1 1 337.376 1.699 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1F ZINC000413762242 250805153 /nfs/dbraw/zinc/80/51/53/250805153.db2.gz URTAGVMNBXXWEY-PHIMTYICSA-N 1 1 337.351 1.305 20 5 EDBDMO CN(CC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000458185245 254895725 /nfs/dbraw/zinc/89/57/25/254895725.db2.gz HAUDDTZEJKCZDN-CQSZACIVSA-N 1 1 334.420 1.879 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491508306 255127691 /nfs/dbraw/zinc/12/76/91/255127691.db2.gz WYWQUWZVHSVHAC-KXPUMZMLSA-N 1 1 333.388 1.835 20 5 EDBDMO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000493367633 255207114 /nfs/dbraw/zinc/20/71/14/255207114.db2.gz KJWNMUGJWGUWSU-MYNJGTHASA-N 1 1 333.388 1.522 20 5 EDBDMO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000493566853 255216283 /nfs/dbraw/zinc/21/62/83/255216283.db2.gz ZVPHHDRUDXYYQC-FXMSTWTQSA-N 1 1 329.278 1.813 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000493708778 255219624 /nfs/dbraw/zinc/21/96/24/255219624.db2.gz PXXWRBXVQQQXTK-LBPRGKRZSA-N 1 1 339.417 1.727 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000493708778 255219625 /nfs/dbraw/zinc/21/96/25/255219625.db2.gz PXXWRBXVQQQXTK-LBPRGKRZSA-N 1 1 339.417 1.727 20 5 EDBDMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000493767575 255221383 /nfs/dbraw/zinc/22/13/83/255221383.db2.gz BFVZHAVMEXDNIO-XITLMJRVSA-N 1 1 333.388 1.571 20 5 EDBDMO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CC[NH+](C)CC1 ZINC000130273035 533220045 /nfs/dbraw/zinc/22/00/45/533220045.db2.gz ZNSRTDXQQXNSAS-ZDUSSCGKSA-N 1 1 332.404 1.115 20 5 EDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000118112259 221119266 /nfs/dbraw/zinc/11/92/66/221119266.db2.gz OAYXQETXAMDKIE-ZDUSSCGKSA-N 1 1 348.403 1.770 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000171651362 533221125 /nfs/dbraw/zinc/22/11/25/533221125.db2.gz ZSBLJXBUQFXSPF-UHFFFAOYSA-N 1 1 334.376 1.593 20 5 EDBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270765778 140164611 /nfs/dbraw/zinc/16/46/11/140164611.db2.gz GPSHMAKPROKEDG-LBPRGKRZSA-N 1 1 337.424 1.959 20 5 EDBDMO Cn1cc([C@@H]2CCCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000331400487 141017371 /nfs/dbraw/zinc/01/73/71/141017371.db2.gz DCEIJTINXQDKET-CABCVRRESA-N 1 1 334.380 1.113 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000331888936 141094409 /nfs/dbraw/zinc/09/44/09/141094409.db2.gz GEZUVDILIACYIH-CVEARBPZSA-N 1 1 348.403 1.247 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000332127076 141127590 /nfs/dbraw/zinc/12/75/90/141127590.db2.gz HEYCRLXFJJCDFT-GJZGRUSLSA-N 1 1 348.403 1.247 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[N@H+]1C ZINC000332657494 141224370 /nfs/dbraw/zinc/22/43/70/141224370.db2.gz JRZLOLFEPMEVRU-RYUDHWBXSA-N 1 1 344.375 1.388 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000344825539 143016545 /nfs/dbraw/zinc/01/65/45/143016545.db2.gz IQNZTBMTGYRLQN-GFCCVEGCSA-N 1 1 334.376 1.381 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000416494473 304324154 /nfs/dbraw/zinc/32/41/54/304324154.db2.gz IVJFMJIBEBIXPU-GFCCVEGCSA-N 1 1 327.406 1.442 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346259931 143184376 /nfs/dbraw/zinc/18/43/76/143184376.db2.gz KGHSPBUSCBNWEI-GZBFAFLISA-N 1 1 349.435 1.679 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](F)C[C@H]1CO ZINC000346430199 143203805 /nfs/dbraw/zinc/20/38/05/143203805.db2.gz WZRSIEIEYNLBKP-YPMHNXCESA-N 1 1 325.340 1.637 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347050687 143276693 /nfs/dbraw/zinc/27/66/93/143276693.db2.gz RCGYNYHWZXYNAH-NJZAAPMLSA-N 1 1 338.360 1.218 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000347127924 143285553 /nfs/dbraw/zinc/28/55/53/143285553.db2.gz HDXYMOXNXMBXME-LBPRGKRZSA-N 1 1 347.371 1.870 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@@H+](C)CCO)[C@H]1C ZINC000347169179 143290378 /nfs/dbraw/zinc/29/03/78/143290378.db2.gz NIEWBGUMDMZXJR-RISCZKNCSA-N 1 1 337.376 1.131 20 5 EDBDMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(CCn3cc([N+](=O)[O-])cn3)n1)OC2 ZINC000347335178 143310045 /nfs/dbraw/zinc/31/00/45/143310045.db2.gz KRICVGPWGXKSPP-IUODEOHRSA-N 1 1 348.363 1.343 20 5 EDBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(CCn3cc([N+](=O)[O-])cn3)n1)OC2 ZINC000347335178 143310046 /nfs/dbraw/zinc/31/00/46/143310046.db2.gz KRICVGPWGXKSPP-IUODEOHRSA-N 1 1 348.363 1.343 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000348069631 143397315 /nfs/dbraw/zinc/39/73/15/143397315.db2.gz HFSXDBQNQSPRNN-UHFFFAOYSA-N 1 1 337.424 1.893 20 5 EDBDMO Cc1sc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416561925 304331808 /nfs/dbraw/zinc/33/18/08/304331808.db2.gz VJMOQUOZIJOFQS-NSHDSACASA-N 1 1 347.462 1.975 20 5 EDBDMO C[N@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000355682825 150359260 /nfs/dbraw/zinc/35/92/60/150359260.db2.gz MKKJMVCPNVHNRR-LBPRGKRZSA-N 1 1 330.182 1.836 20 5 EDBDMO NC(=O)c1ccnc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000357508895 151051920 /nfs/dbraw/zinc/05/19/20/151051920.db2.gz IRHKMNBDXKWYFM-LBPRGKRZSA-N 1 1 333.392 1.765 20 5 EDBDMO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCC[N@@H+]1CC=CCC1 ZINC000357664872 151107963 /nfs/dbraw/zinc/10/79/63/151107963.db2.gz ZFTZENMKHXDAAL-UHFFFAOYSA-N 1 1 347.371 1.287 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000357816254 151159843 /nfs/dbraw/zinc/15/98/43/151159843.db2.gz MPGZHKWVCZBFEV-LBPRGKRZSA-N 1 1 337.376 1.636 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000357816254 151159844 /nfs/dbraw/zinc/15/98/44/151159844.db2.gz MPGZHKWVCZBFEV-LBPRGKRZSA-N 1 1 337.376 1.636 20 5 EDBDMO O=[N+]([O-])c1cc(F)c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(F)c1 ZINC000360465983 152055387 /nfs/dbraw/zinc/05/53/87/152055387.db2.gz IEMKAEKGDIVQST-KBPBESRZSA-N 1 1 327.331 1.908 20 5 EDBDMO CC[C@H]1CN(c2c([N+](=O)[O-])nc(C)n2CC)C[C@@H]1[NH+]1CCOCC1 ZINC000361042574 152286996 /nfs/dbraw/zinc/28/69/96/152286996.db2.gz AGRQEHFYPFHKBM-KBPBESRZSA-N 1 1 337.424 1.667 20 5 EDBDMO Cc1ncc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000574053330 306642066 /nfs/dbraw/zinc/64/20/66/306642066.db2.gz CIEPRUMYAFLHSU-UHFFFAOYSA-N 1 1 338.389 1.200 20 5 EDBDMO O=C1NCCN1[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000363636496 153018976 /nfs/dbraw/zinc/01/89/76/153018976.db2.gz BXJKRGXYDNYMCB-HNNXBMFYSA-N 1 1 348.403 1.853 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000364089718 153142721 /nfs/dbraw/zinc/14/27/21/153142721.db2.gz BMXAWPRAMBTBAV-LSDHHAIUSA-N 1 1 349.387 1.275 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000364264555 153190746 /nfs/dbraw/zinc/19/07/46/153190746.db2.gz NUFOFBUJESRVBB-HNNXBMFYSA-N 1 1 348.403 1.983 20 5 EDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000364939693 153376678 /nfs/dbraw/zinc/37/66/78/153376678.db2.gz ZQLFSXAVWQOFEW-LLVKDONJSA-N 1 1 341.795 1.777 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000373940112 157074069 /nfs/dbraw/zinc/07/40/69/157074069.db2.gz UATQDSFSJRQTCW-AWEZNQCLSA-N 1 1 341.433 1.841 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000374070075 157130098 /nfs/dbraw/zinc/13/00/98/157130098.db2.gz RMXCIUKEVOKFEJ-JKSUJKDBSA-N 1 1 344.371 1.680 20 5 EDBDMO CCc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000575311335 306667950 /nfs/dbraw/zinc/66/79/50/306667950.db2.gz BIWKWKKIDCPKNW-BETUJISGSA-N 1 1 339.417 1.672 20 5 EDBDMO Cc1cc(N2CC[N@@H+](C[C@H]3CN(C)CCO3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000377918843 158029038 /nfs/dbraw/zinc/02/90/38/158029038.db2.gz SIKKQXSLGUENIC-HUUCEWRRSA-N 1 1 349.435 1.139 20 5 EDBDMO Cc1cc(N2CC[N@H+](C[C@H]3CN(C)CCO3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000377918843 158029040 /nfs/dbraw/zinc/02/90/40/158029040.db2.gz SIKKQXSLGUENIC-HUUCEWRRSA-N 1 1 349.435 1.139 20 5 EDBDMO C[C@@H]1C[C@@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123334666 222258020 /nfs/dbraw/zinc/25/80/20/222258020.db2.gz HCHKIESEWCFPQD-CJNGLKHVSA-N 1 1 334.420 1.972 20 5 EDBDMO C[C@H](CC[NH+]1CCN(C)CC1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000274470701 268145150 /nfs/dbraw/zinc/14/51/50/268145150.db2.gz MIHGPZSIQSRHCN-LLVKDONJSA-N 1 1 338.437 1.742 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000274612724 268169054 /nfs/dbraw/zinc/16/90/54/268169054.db2.gz ZQURJUYGQSYYGL-UHFFFAOYSA-N 1 1 331.319 1.117 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-] ZINC000278915111 273271002 /nfs/dbraw/zinc/27/10/02/273271002.db2.gz QVQLVMWHPOYKIK-SJCJKPOMSA-N 1 1 346.387 1.442 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-] ZINC000278915111 273271003 /nfs/dbraw/zinc/27/10/03/273271003.db2.gz QVQLVMWHPOYKIK-SJCJKPOMSA-N 1 1 346.387 1.442 20 5 EDBDMO COc1cc(C(=O)NCC[N@@H+]2CC=CCC2)cc([N+](=O)[O-])c1OC ZINC000280301871 273354114 /nfs/dbraw/zinc/35/41/14/273354114.db2.gz SCAGBKSUMBEABM-UHFFFAOYSA-N 1 1 335.360 1.604 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000284533030 274235930 /nfs/dbraw/zinc/23/59/30/274235930.db2.gz ADBGBLQUHBOQST-UONOGXRCSA-N 1 1 345.359 1.016 20 5 EDBDMO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000284533030 274235932 /nfs/dbraw/zinc/23/59/32/274235932.db2.gz ADBGBLQUHBOQST-UONOGXRCSA-N 1 1 345.359 1.016 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000284533030 274235934 /nfs/dbraw/zinc/23/59/34/274235934.db2.gz ADBGBLQUHBOQST-UONOGXRCSA-N 1 1 345.359 1.016 20 5 EDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@](O)(Cn3ccnn3)C2)cc1 ZINC000284633044 274272501 /nfs/dbraw/zinc/27/25/01/274272501.db2.gz SXYFNAVVRXSTFM-INIZCTEOSA-N 1 1 331.376 1.256 20 5 EDBDMO CN1CCO[C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000284767342 274324002 /nfs/dbraw/zinc/32/40/02/274324002.db2.gz MLLICJZIDRCBBX-JKSUJKDBSA-N 1 1 348.403 1.328 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000267197063 276075290 /nfs/dbraw/zinc/07/52/90/276075290.db2.gz FBTVPOQLTGRPBT-LLVKDONJSA-N 1 1 342.421 1.020 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450774988 277149665 /nfs/dbraw/zinc/14/96/65/277149665.db2.gz AIEAMULMEYCKDJ-YGRLFVJLSA-N 1 1 325.390 1.139 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450774988 277149666 /nfs/dbraw/zinc/14/96/66/277149666.db2.gz AIEAMULMEYCKDJ-YGRLFVJLSA-N 1 1 325.390 1.139 20 5 EDBDMO COCC[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1C ZINC000342922830 277224949 /nfs/dbraw/zinc/22/49/49/277224949.db2.gz YMSZCBGWUANBKS-GFCCVEGCSA-N 1 1 346.387 1.869 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1C ZINC000342922830 277224950 /nfs/dbraw/zinc/22/49/50/277224950.db2.gz YMSZCBGWUANBKS-GFCCVEGCSA-N 1 1 346.387 1.869 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@H+]1CCCOCC1 ZINC000286835042 288100370 /nfs/dbraw/zinc/10/03/70/288100370.db2.gz ZOTTZRQVQNOVAV-UHFFFAOYSA-N 1 1 337.376 1.824 20 5 EDBDMO C[C@@H]1[C@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000357040399 279103658 /nfs/dbraw/zinc/10/36/58/279103658.db2.gz PEUGFZFJXRRYEB-OLZOCXBDSA-N 1 1 332.404 1.508 20 5 EDBDMO CC[N@@H+](CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000263795782 279205528 /nfs/dbraw/zinc/20/55/28/279205528.db2.gz YDLPXBZVHDNOHU-UHFFFAOYSA-N 1 1 337.376 1.826 20 5 EDBDMO O=c1[nH]c(NCC[NH+]2CCSCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000287159700 288169311 /nfs/dbraw/zinc/16/93/11/288169311.db2.gz GOGBJAUBXNYBMC-UHFFFAOYSA-N 1 1 335.389 1.704 20 5 EDBDMO CN(C(=O)C[N@@H+]1CC[C@@H](n2cccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000291751462 289170546 /nfs/dbraw/zinc/17/05/46/289170546.db2.gz KNZJUZBBEAYTKO-OAHLLOKOSA-N 1 1 329.360 1.701 20 5 EDBDMO CN(C(=O)C[N@H+]1CC[C@@H](n2cccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000291751462 289170547 /nfs/dbraw/zinc/17/05/47/289170547.db2.gz KNZJUZBBEAYTKO-OAHLLOKOSA-N 1 1 329.360 1.701 20 5 EDBDMO NC(=O)CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090552889 295039011 /nfs/dbraw/zinc/03/90/11/295039011.db2.gz OLPGABUILIOQAT-UHFFFAOYSA-N 1 1 344.371 1.134 20 5 EDBDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000295586792 303238561 /nfs/dbraw/zinc/23/85/61/303238561.db2.gz WDFKSJFLPWLWSY-CYBMUJFWSA-N 1 1 337.376 1.180 20 5 EDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000296186505 303301092 /nfs/dbraw/zinc/30/10/92/303301092.db2.gz ZYSWVDBRPORGBT-UHFFFAOYSA-N 1 1 339.359 1.583 20 5 EDBDMO Cc1noc(CCC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000298028817 303489554 /nfs/dbraw/zinc/48/95/54/303489554.db2.gz FPTLPZCKCUVYLQ-UHFFFAOYSA-N 1 1 332.364 1.436 20 5 EDBDMO C[NH+](C)CCNC(=O)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000299636962 303640924 /nfs/dbraw/zinc/64/09/24/303640924.db2.gz VBBOKWYNZLWNCX-UHFFFAOYSA-N 1 1 334.420 1.485 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123340061 304806557 /nfs/dbraw/zinc/80/65/57/304806557.db2.gz RMKUFJLIJUEMJL-ULKQDVFKSA-N 1 1 329.353 1.295 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@H+]1CCO ZINC000456233678 447344502 /nfs/dbraw/zinc/34/45/02/447344502.db2.gz YVUOSXAVICQZDF-PHIMTYICSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@@H+]1CCO ZINC000456233678 447344509 /nfs/dbraw/zinc/34/45/09/447344509.db2.gz YVUOSXAVICQZDF-PHIMTYICSA-N 1 1 341.795 1.775 20 5 EDBDMO COc1cc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000428799461 305017748 /nfs/dbraw/zinc/01/77/48/305017748.db2.gz DOCWZMXONYWGQH-GFCCVEGCSA-N 1 1 343.405 1.069 20 5 EDBDMO COc1cc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000428799461 305017749 /nfs/dbraw/zinc/01/77/49/305017749.db2.gz DOCWZMXONYWGQH-GFCCVEGCSA-N 1 1 343.405 1.069 20 5 EDBDMO C[C@H]1C[N@@H+](CCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000432859299 305096333 /nfs/dbraw/zinc/09/63/33/305096333.db2.gz NMBCODFGPUMAKR-LBPRGKRZSA-N 1 1 336.392 1.607 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000442164179 305226548 /nfs/dbraw/zinc/22/65/48/305226548.db2.gz QXECWKQUCIAXQA-JQWIXIFHSA-N 1 1 334.376 1.441 20 5 EDBDMO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000442327785 305228843 /nfs/dbraw/zinc/22/88/43/305228843.db2.gz BOGFAVROIYWDKF-NSHDSACASA-N 1 1 332.360 1.300 20 5 EDBDMO C[C@H](CC[NH3+])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000447260217 305276549 /nfs/dbraw/zinc/27/65/49/305276549.db2.gz ZTUQPVCVDHDJMT-ZCFIWIBFSA-N 1 1 342.204 1.917 20 5 EDBDMO CCOc1ccc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000449574320 305314232 /nfs/dbraw/zinc/31/42/32/305314232.db2.gz WCTCNLHMODFLKO-OAHLLOKOSA-N 1 1 325.340 1.767 20 5 EDBDMO O=[N+]([O-])c1c(NC[C@H]2CCCC[N@@H+]2CCO)nc2sccn21 ZINC000450610156 305330929 /nfs/dbraw/zinc/33/09/29/305330929.db2.gz GPPDMNWOXVZDJS-SNVBAGLBSA-N 1 1 325.394 1.563 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000451339618 305340106 /nfs/dbraw/zinc/34/01/06/305340106.db2.gz ILCCVMAOGAJCSM-QXSJWSMHSA-N 1 1 338.408 1.168 20 5 EDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC(=O)NC1CCCC1 ZINC000554847049 306198657 /nfs/dbraw/zinc/19/86/57/306198657.db2.gz PHHXTRUFXLYJMP-UHFFFAOYSA-N 1 1 348.403 1.838 20 5 EDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC(=O)NC1CCCC1 ZINC000554847049 306198658 /nfs/dbraw/zinc/19/86/58/306198658.db2.gz PHHXTRUFXLYJMP-UHFFFAOYSA-N 1 1 348.403 1.838 20 5 EDBDMO Cc1[nH+]ccn1CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000080375390 441165424 /nfs/dbraw/zinc/16/54/24/441165424.db2.gz RVJGXHLLCZQBSR-UHFFFAOYSA-N 1 1 328.332 1.796 20 5 EDBDMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000104748009 441203471 /nfs/dbraw/zinc/20/34/71/441203471.db2.gz IUDFTFPCKRWHFG-JTQLQIEISA-N 1 1 347.824 1.820 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000104748475 441203524 /nfs/dbraw/zinc/20/35/24/441203524.db2.gz NSXVRKUHZKBCQJ-NSHDSACASA-N 1 1 343.405 1.176 20 5 EDBDMO CC[N@H+](CCC(=O)OC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000064570491 441384565 /nfs/dbraw/zinc/38/45/65/441384565.db2.gz ACHVMHLLQXXNMY-UHFFFAOYSA-N 1 1 339.348 1.427 20 5 EDBDMO CC[N@@H+](CCC(=O)OC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000064570491 441384568 /nfs/dbraw/zinc/38/45/68/441384568.db2.gz ACHVMHLLQXXNMY-UHFFFAOYSA-N 1 1 339.348 1.427 20 5 EDBDMO NC(=O)C1([NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 ZINC000074285895 441416233 /nfs/dbraw/zinc/41/62/33/441416233.db2.gz IPJFXHLXFLVNNK-UHFFFAOYSA-N 1 1 346.431 1.901 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000108334162 441445303 /nfs/dbraw/zinc/44/53/03/441445303.db2.gz BKUOMTNSTJNGEE-ZDUSSCGKSA-N 1 1 343.387 1.852 20 5 EDBDMO C[N@@H+](CCCNC(=O)CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000065770938 441483551 /nfs/dbraw/zinc/48/35/51/441483551.db2.gz NREOXYKXSBKTPQ-UHFFFAOYSA-N 1 1 345.403 1.820 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000108406058 441451550 /nfs/dbraw/zinc/45/15/50/441451550.db2.gz KQVAFFUBYJBSSE-JTQLQIEISA-N 1 1 331.369 1.354 20 5 EDBDMO CCN1CC[NH+](CCC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000075158432 441504811 /nfs/dbraw/zinc/50/48/11/441504811.db2.gz SBNDEHJSUCWEDT-UHFFFAOYSA-N 1 1 334.420 1.281 20 5 EDBDMO CCOC(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000109849501 441510720 /nfs/dbraw/zinc/51/07/20/441510720.db2.gz USLMAMIILSAQAC-NSHDSACASA-N 1 1 335.360 1.453 20 5 EDBDMO COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[NH+](C)C ZINC000032694910 441565830 /nfs/dbraw/zinc/56/58/30/441565830.db2.gz MAUQFAVUQNZJOV-OAHLLOKOSA-N 1 1 346.387 1.975 20 5 EDBDMO C[NH+](C)CCN1CCC(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000114381879 441651209 /nfs/dbraw/zinc/65/12/09/441651209.db2.gz RSSWQEQCQPFCCL-UHFFFAOYSA-N 1 1 349.435 1.180 20 5 EDBDMO O=C(NCCC[NH+]1CCOCC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000136730588 441719234 /nfs/dbraw/zinc/71/92/34/441719234.db2.gz LESBAKODULSFAQ-UHFFFAOYSA-N 1 1 336.392 1.159 20 5 EDBDMO C[NH+](C)C1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000158351132 441727679 /nfs/dbraw/zinc/72/76/79/441727679.db2.gz QQUCSJVWOGOFFV-UHFFFAOYSA-N 1 1 335.407 1.927 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000150336826 441931926 /nfs/dbraw/zinc/93/19/26/441931926.db2.gz NIEDIVSQEOHDEH-HNNXBMFYSA-N 1 1 348.403 1.784 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000069499345 441953976 /nfs/dbraw/zinc/95/39/76/441953976.db2.gz FANGYZKOCGEXOY-LBPRGKRZSA-N 1 1 337.376 1.444 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000126216689 442089768 /nfs/dbraw/zinc/08/97/68/442089768.db2.gz NWWXKHWUEIXQMW-NEPJUHHUSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000126216689 442089770 /nfs/dbraw/zinc/08/97/70/442089770.db2.gz NWWXKHWUEIXQMW-NEPJUHHUSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1[nH+]ccn1CCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079679206 442075333 /nfs/dbraw/zinc/07/53/33/442075333.db2.gz JMWDKCMYUPTTLV-UHFFFAOYSA-N 1 1 331.376 1.742 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000127055543 442166052 /nfs/dbraw/zinc/16/60/52/442166052.db2.gz NHLQORMTPISHJD-OAHLLOKOSA-N 1 1 333.436 1.905 20 5 EDBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176217496 442194028 /nfs/dbraw/zinc/19/40/28/442194028.db2.gz GQENTZHEMPHFDF-ZIAGYGMSSA-N 1 1 337.424 1.808 20 5 EDBDMO CCN(C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)CC(F)(F)F ZINC000176395604 442217507 /nfs/dbraw/zinc/21/75/07/442217507.db2.gz OYICGHZEHVAVCV-GFCCVEGCSA-N 1 1 349.357 1.997 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000171129494 442317557 /nfs/dbraw/zinc/31/75/57/442317557.db2.gz YOWSKQPWLGDYJO-UHFFFAOYSA-N 1 1 340.336 1.119 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000172020229 442400246 /nfs/dbraw/zinc/40/02/46/442400246.db2.gz KXNGQGJEIMONNO-LLVKDONJSA-N 1 1 327.406 1.664 20 5 EDBDMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000155669302 442417788 /nfs/dbraw/zinc/41/77/88/442417788.db2.gz HCBRJPXMHZNURN-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000155831725 442430762 /nfs/dbraw/zinc/43/07/62/442430762.db2.gz SWWFNFJKRDTWKS-LBPRGKRZSA-N 1 1 339.367 1.361 20 5 EDBDMO Cc1c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000134148869 442452944 /nfs/dbraw/zinc/45/29/44/442452944.db2.gz RGDPUBTUFBXOOU-CYBMUJFWSA-N 1 1 348.403 1.642 20 5 EDBDMO O=C(NCCC[NH+]1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134477206 442485887 /nfs/dbraw/zinc/48/58/87/442485887.db2.gz LTVHJFYPDVWWTP-UHFFFAOYSA-N 1 1 327.768 1.700 20 5 EDBDMO CC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000134509652 442488963 /nfs/dbraw/zinc/48/89/63/442488963.db2.gz NTYSJXMDYPJVND-IRXDYDNUSA-N 1 1 348.403 1.425 20 5 EDBDMO NC(=O)c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000135518407 442605856 /nfs/dbraw/zinc/60/58/56/442605856.db2.gz FFAXQZWXQBJSIX-JSGCOSHPSA-N 1 1 337.401 1.400 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000135518407 442605860 /nfs/dbraw/zinc/60/58/60/442605860.db2.gz FFAXQZWXQBJSIX-JSGCOSHPSA-N 1 1 337.401 1.400 20 5 EDBDMO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000135859083 442637225 /nfs/dbraw/zinc/63/72/25/442637225.db2.gz AKTANRPKWYAINP-UHFFFAOYSA-N 1 1 339.421 1.409 20 5 EDBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(CO)CO ZINC000135933971 442642315 /nfs/dbraw/zinc/64/23/15/442642315.db2.gz ONKQMRFOIJKDSH-UHFFFAOYSA-N 1 1 349.387 1.715 20 5 EDBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000157981733 442634195 /nfs/dbraw/zinc/63/41/95/442634195.db2.gz RNRJLAGGVFLVKO-OAHLLOKOSA-N 1 1 329.360 1.529 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000157981733 442634197 /nfs/dbraw/zinc/63/41/97/442634197.db2.gz RNRJLAGGVFLVKO-OAHLLOKOSA-N 1 1 329.360 1.529 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000192851136 442692582 /nfs/dbraw/zinc/69/25/82/442692582.db2.gz NRNDAUDHMOGTBM-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000192922516 442698202 /nfs/dbraw/zinc/69/82/02/442698202.db2.gz CNTCHEJWLDJOCT-TXEJJXNPSA-N 1 1 325.390 1.085 20 5 EDBDMO Cc1cc(N2CCC[N@H+](CCO)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181501999 442700355 /nfs/dbraw/zinc/70/03/55/442700355.db2.gz WWJXZASCOYHAMY-UHFFFAOYSA-N 1 1 330.388 1.956 20 5 EDBDMO Cc1cc(N2CCC[N@@H+](CCO)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181501999 442700356 /nfs/dbraw/zinc/70/03/56/442700356.db2.gz WWJXZASCOYHAMY-UHFFFAOYSA-N 1 1 330.388 1.956 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000193621810 442760228 /nfs/dbraw/zinc/76/02/28/442760228.db2.gz PZIKHCXFSWHZTM-PHIMTYICSA-N 1 1 338.795 1.680 20 5 EDBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000193638799 442762685 /nfs/dbraw/zinc/76/26/85/442762685.db2.gz VZHVICQUNIIIOG-AMIZOPFISA-N 1 1 340.767 1.301 20 5 EDBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000193660853 442765432 /nfs/dbraw/zinc/76/54/32/442765432.db2.gz KEPDGZCWOTZNMO-AMIZOPFISA-N 1 1 340.767 1.301 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000183148023 442889183 /nfs/dbraw/zinc/88/91/83/442889183.db2.gz KYDYPXFIWVDBKZ-NWDGAFQWSA-N 1 1 337.376 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000248615098 442907102 /nfs/dbraw/zinc/90/71/02/442907102.db2.gz WXPHFLJXBGJJGT-RYUDHWBXSA-N 1 1 337.376 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000248615098 442907106 /nfs/dbraw/zinc/90/71/06/442907106.db2.gz WXPHFLJXBGJJGT-RYUDHWBXSA-N 1 1 337.376 1.635 20 5 EDBDMO COC(=O)c1cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000268262698 442923380 /nfs/dbraw/zinc/92/33/80/442923380.db2.gz ZPWKZCSUDIKRPO-ZUZCIYMTSA-N 1 1 347.371 1.594 20 5 EDBDMO CCC[C@@]1(COC)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248757897 442923961 /nfs/dbraw/zinc/92/39/61/442923961.db2.gz XCLKCRSSVDUFTP-CABCVRRESA-N 1 1 326.397 1.433 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000268340110 442954272 /nfs/dbraw/zinc/95/42/72/442954272.db2.gz KWCNKYGJBUXNKU-XJKSGUPXSA-N 1 1 338.360 1.220 20 5 EDBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)[nH]1 ZINC000268421333 442983035 /nfs/dbraw/zinc/98/30/35/442983035.db2.gz CSIWJBSYUSQYIX-ZDUSSCGKSA-N 1 1 344.375 1.500 20 5 EDBDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000268421333 442983039 /nfs/dbraw/zinc/98/30/39/442983039.db2.gz CSIWJBSYUSQYIX-ZDUSSCGKSA-N 1 1 344.375 1.500 20 5 EDBDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000268421333 442983044 /nfs/dbraw/zinc/98/30/44/442983044.db2.gz CSIWJBSYUSQYIX-ZDUSSCGKSA-N 1 1 344.375 1.500 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC1(CO)CC1 ZINC000190031947 443048743 /nfs/dbraw/zinc/04/87/43/443048743.db2.gz NJUGHHNVQAQSSN-UHFFFAOYSA-N 1 1 337.376 1.636 20 5 EDBDMO Cc1nc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000268476414 443003241 /nfs/dbraw/zinc/00/32/41/443003241.db2.gz KKEZIHDQJHERFN-OAHLLOKOSA-N 1 1 333.436 1.905 20 5 EDBDMO C[C@@H](C(=O)NCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184724061 443066934 /nfs/dbraw/zinc/06/69/34/443066934.db2.gz MWRDZWDRVQJBQF-GFCCVEGCSA-N 1 1 339.367 1.676 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000190434107 443107344 /nfs/dbraw/zinc/10/73/44/443107344.db2.gz HFPDNECSKDZQSL-NHYWBVRUSA-N 1 1 337.376 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000190434107 443107349 /nfs/dbraw/zinc/10/73/49/443107349.db2.gz HFPDNECSKDZQSL-NHYWBVRUSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000266510138 443151447 /nfs/dbraw/zinc/15/14/47/443151447.db2.gz DDCOQRGMJMEENK-HNNXBMFYSA-N 1 1 334.376 1.601 20 5 EDBDMO CCOC(=O)C1(O)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000266904344 443286251 /nfs/dbraw/zinc/28/62/51/443286251.db2.gz HIPLKKNGJKJNGS-UHFFFAOYSA-N 1 1 338.360 1.364 20 5 EDBDMO Cn1ccnc1[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000272554371 443361924 /nfs/dbraw/zinc/36/19/24/443361924.db2.gz RVBHZZOQVBPHGQ-GDBMZVCRSA-N 1 1 348.428 1.875 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272582585 443371010 /nfs/dbraw/zinc/37/10/10/443371010.db2.gz GXBKKCBWNBGZFJ-UKRRQHHQSA-N 1 1 333.388 1.916 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@H]2C1 ZINC000272661948 443400662 /nfs/dbraw/zinc/40/06/62/443400662.db2.gz ROQJJSJKSDUKJI-MFKMUULPSA-N 1 1 333.344 1.490 20 5 EDBDMO CCCc1n[nH]c(C(=O)NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000264863077 443457961 /nfs/dbraw/zinc/45/79/61/443457961.db2.gz PFULYYWEHSUJJV-UHFFFAOYSA-N 1 1 327.410 1.049 20 5 EDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1[NH+]1CCOCC1 ZINC000267577952 443503354 /nfs/dbraw/zinc/50/33/54/443503354.db2.gz YJEYTMIYPOEEDS-GXFFZTMASA-N 1 1 333.348 1.288 20 5 EDBDMO COc1cc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000273040028 443525950 /nfs/dbraw/zinc/52/59/50/443525950.db2.gz WACGUKQLRUMDCX-NSHDSACASA-N 1 1 349.387 1.992 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C(N)=O ZINC000286166372 443660154 /nfs/dbraw/zinc/66/01/54/443660154.db2.gz MEWMKQIEDMPBTB-BXKDBHETSA-N 1 1 331.332 1.198 20 5 EDBDMO COC[C@](C)(O)CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000449382609 320186309 /nfs/dbraw/zinc/18/63/09/320186309.db2.gz CWWLMLGWGBXIPJ-NVXWUHKLSA-N 1 1 348.403 1.795 20 5 EDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H](C)C1 ZINC000452121567 320243120 /nfs/dbraw/zinc/24/31/20/320243120.db2.gz KNHKYAQQTMJNED-COPLHBTASA-N 1 1 334.376 1.498 20 5 EDBDMO COCCOCCOCC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000276245249 443675938 /nfs/dbraw/zinc/67/59/38/443675938.db2.gz MRAVQJGKXRBBBP-UHFFFAOYSA-N 1 1 326.393 1.749 20 5 EDBDMO COC(=O)[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000280519724 443734253 /nfs/dbraw/zinc/73/42/53/443734253.db2.gz DSNXPYBARVHCSS-ZWNOBZJWSA-N 1 1 346.343 1.886 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000280519724 443734259 /nfs/dbraw/zinc/73/42/59/443734259.db2.gz DSNXPYBARVHCSS-ZWNOBZJWSA-N 1 1 346.343 1.886 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000298274607 443736061 /nfs/dbraw/zinc/73/60/61/443736061.db2.gz WVIFUCWMFNFZFT-UHFFFAOYSA-N 1 1 348.403 1.784 20 5 EDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000298366198 443754374 /nfs/dbraw/zinc/75/43/74/443754374.db2.gz CGMFAOOBSUMHPP-UHFFFAOYSA-N 1 1 346.391 1.636 20 5 EDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000281120883 443825244 /nfs/dbraw/zinc/82/52/44/443825244.db2.gz HLUYKMVKPOUJEQ-LBPRGKRZSA-N 1 1 336.392 1.945 20 5 EDBDMO C[C@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000288428335 443878058 /nfs/dbraw/zinc/87/80/58/443878058.db2.gz XTVPWSMCVOJHKM-BBRMVZONSA-N 1 1 343.387 1.571 20 5 EDBDMO Cc1cc(OCC(=O)NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000281317701 443878528 /nfs/dbraw/zinc/87/85/28/443878528.db2.gz IUHYJKISXXUMJW-UHFFFAOYSA-N 1 1 339.417 1.447 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@@H](CO)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000293048847 443912155 /nfs/dbraw/zinc/91/21/55/443912155.db2.gz HQEOJHBAJQBGGK-CYBMUJFWSA-N 1 1 333.388 1.578 20 5 EDBDMO Cc1cc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000281727175 443990286 /nfs/dbraw/zinc/99/02/86/443990286.db2.gz IXSZGPNBNZOCHJ-UHFFFAOYSA-N 1 1 349.435 1.241 20 5 EDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289100434 444052970 /nfs/dbraw/zinc/05/29/70/444052970.db2.gz CEXDTZWOSYDABH-INIZCTEOSA-N 1 1 329.360 1.687 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000285655140 444062330 /nfs/dbraw/zinc/06/23/30/444062330.db2.gz LWZDYQYORGEYPD-LLVKDONJSA-N 1 1 325.365 1.899 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000285655140 444062333 /nfs/dbraw/zinc/06/23/33/444062333.db2.gz LWZDYQYORGEYPD-LLVKDONJSA-N 1 1 325.365 1.899 20 5 EDBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C1([NH+]2CCOCC2)CCCC1 ZINC000285665879 444065320 /nfs/dbraw/zinc/06/53/20/444065320.db2.gz NCBLFQPNUKFEHY-NSHDSACASA-N 1 1 337.380 1.081 20 5 EDBDMO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562986629 321084913 /nfs/dbraw/zinc/08/49/13/321084913.db2.gz QLIPGNYZJYYJAI-CTASWTNQSA-N 1 1 339.440 1.108 20 5 EDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562986629 321084915 /nfs/dbraw/zinc/08/49/15/321084915.db2.gz QLIPGNYZJYYJAI-CTASWTNQSA-N 1 1 339.440 1.108 20 5 EDBDMO Cc1nc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc2ccccc12 ZINC000562987527 321085328 /nfs/dbraw/zinc/08/53/28/321085328.db2.gz SAKNRGBQAJOARE-ZDUSSCGKSA-N 1 1 342.359 1.194 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000564881095 321153944 /nfs/dbraw/zinc/15/39/44/321153944.db2.gz NZBQAUVMUAXKMY-CYBMUJFWSA-N 1 1 348.403 1.919 20 5 EDBDMO CC[C@@H]1CN(C)CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000564881095 321153945 /nfs/dbraw/zinc/15/39/45/321153945.db2.gz NZBQAUVMUAXKMY-CYBMUJFWSA-N 1 1 348.403 1.919 20 5 EDBDMO CC[C@@H]1CN(C)CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000564881095 321153947 /nfs/dbraw/zinc/15/39/47/321153947.db2.gz NZBQAUVMUAXKMY-CYBMUJFWSA-N 1 1 348.403 1.919 20 5 EDBDMO Cc1ccnc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000567605704 321248036 /nfs/dbraw/zinc/24/80/36/321248036.db2.gz APVXHDBCQJLRKL-UHFFFAOYSA-N 1 1 335.385 1.862 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000299635554 444102113 /nfs/dbraw/zinc/10/21/13/444102113.db2.gz KGSWJJJSAKDFIR-GFCCVEGCSA-N 1 1 346.387 1.608 20 5 EDBDMO COC(=O)Cc1ccc(NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000294899743 444156412 /nfs/dbraw/zinc/15/64/12/444156412.db2.gz GYACHCYSQRICRD-UHFFFAOYSA-N 1 1 337.376 1.445 20 5 EDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])cc3OC(F)F)C[C@H]21 ZINC000302226851 444209785 /nfs/dbraw/zinc/20/97/85/444209785.db2.gz PYMKFAAKOFGOFO-YPMHNXCESA-N 1 1 329.303 1.715 20 5 EDBDMO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1ccc(F)cc1 ZINC000301817405 444191969 /nfs/dbraw/zinc/19/19/69/444191969.db2.gz FDBVWELGJJLTOZ-DGCLKSJQSA-N 1 1 332.339 1.963 20 5 EDBDMO COc1cc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301971430 444198757 /nfs/dbraw/zinc/19/87/57/444198757.db2.gz SIQRNFJBWZCLSG-HNNXBMFYSA-N 1 1 348.403 1.522 20 5 EDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000303043298 444232977 /nfs/dbraw/zinc/23/29/77/444232977.db2.gz WTATWLGUUWPXGL-TUAOUCFPSA-N 1 1 336.392 1.792 20 5 EDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000577848968 321687597 /nfs/dbraw/zinc/68/75/97/321687597.db2.gz PRGXXESPILKHAV-OAHLLOKOSA-N 1 1 339.323 1.140 20 5 EDBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337936276 444464887 /nfs/dbraw/zinc/46/48/87/444464887.db2.gz OAVRRAMXRURLDH-UHFFFAOYSA-N 1 1 338.389 1.777 20 5 EDBDMO CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1CC ZINC000342351918 444648777 /nfs/dbraw/zinc/64/87/77/444648777.db2.gz ANKAVXIWFIXBTH-CYBMUJFWSA-N 1 1 338.408 1.506 20 5 EDBDMO CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1CC ZINC000342351918 444648780 /nfs/dbraw/zinc/64/87/80/444648780.db2.gz ANKAVXIWFIXBTH-CYBMUJFWSA-N 1 1 338.408 1.506 20 5 EDBDMO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)OC ZINC000343908796 444662207 /nfs/dbraw/zinc/66/22/07/444662207.db2.gz OCMTWITYLFQVED-UHFFFAOYSA-N 1 1 337.332 1.388 20 5 EDBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)OC ZINC000343908796 444662209 /nfs/dbraw/zinc/66/22/09/444662209.db2.gz OCMTWITYLFQVED-UHFFFAOYSA-N 1 1 337.332 1.388 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344019336 444731861 /nfs/dbraw/zinc/73/18/61/444731861.db2.gz FRCGZOKXNKTPIY-GHJWDPDVSA-N 1 1 349.387 1.635 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000334004206 444744309 /nfs/dbraw/zinc/74/43/09/444744309.db2.gz NXOWDLNADRWCSY-AGIUHOORSA-N 1 1 348.403 1.264 20 5 EDBDMO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000338598874 444768081 /nfs/dbraw/zinc/76/80/81/444768081.db2.gz MPAYIXONWNFOED-GFCCVEGCSA-N 1 1 345.359 1.792 20 5 EDBDMO C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000341573713 444902366 /nfs/dbraw/zinc/90/23/66/444902366.db2.gz MSBSPOSHNIOZSV-ZDUSSCGKSA-N 1 1 346.431 1.988 20 5 EDBDMO COc1cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c([N+](=O)[O-])cc1O ZINC000344371556 444925178 /nfs/dbraw/zinc/92/51/78/444925178.db2.gz YZXASSOEPXJNQK-LLVKDONJSA-N 1 1 344.389 1.366 20 5 EDBDMO C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C[NH+]1CCOCC1 ZINC000342934199 444951210 /nfs/dbraw/zinc/95/12/10/444951210.db2.gz KHSSQSRAFLLLPS-GFCCVEGCSA-N 1 1 346.387 1.774 20 5 EDBDMO Cn1nccc1[C@@H]1[C@H](CNc2ccc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000344443424 444975414 /nfs/dbraw/zinc/97/54/14/444975414.db2.gz CDZKHQXIWGZAJV-LRDDRELGSA-N 1 1 330.392 2.218 20 5 EDBDMO COc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000339040811 445002791 /nfs/dbraw/zinc/00/27/91/445002791.db2.gz CYVBZJXWQXNQAG-SNVBAGLBSA-N 1 1 341.389 1.118 20 5 EDBDMO COc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000339040811 445002795 /nfs/dbraw/zinc/00/27/95/445002795.db2.gz CYVBZJXWQXNQAG-SNVBAGLBSA-N 1 1 341.389 1.118 20 5 EDBDMO COc1cc(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000344502953 445017256 /nfs/dbraw/zinc/01/72/56/445017256.db2.gz CJLQUOZWDRTINJ-STQMWFEESA-N 1 1 337.376 1.395 20 5 EDBDMO COc1ccc(C(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000344503576 445018901 /nfs/dbraw/zinc/01/89/01/445018901.db2.gz FJBPXTRXAIPERB-QWHCGFSZSA-N 1 1 337.376 1.395 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000330586564 445048477 /nfs/dbraw/zinc/04/84/77/445048477.db2.gz LRKFIMVXSVLZSU-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000330586564 445048481 /nfs/dbraw/zinc/04/84/81/445048481.db2.gz LRKFIMVXSVLZSU-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000330665323 445087108 /nfs/dbraw/zinc/08/71/08/445087108.db2.gz GXBNSFSWRKCKKF-SNVBAGLBSA-N 1 1 326.784 1.823 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000330871120 445174403 /nfs/dbraw/zinc/17/44/03/445174403.db2.gz QWZBTMFUBAIXKJ-GFCCVEGCSA-N 1 1 327.406 1.605 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC000337648558 445186892 /nfs/dbraw/zinc/18/68/92/445186892.db2.gz ZGFDOHMTNAZVEN-UHFFFAOYSA-N 1 1 327.304 1.319 20 5 EDBDMO C[C@@H]1[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343533285 445239710 /nfs/dbraw/zinc/23/97/10/445239710.db2.gz WPPJUAVMSVRUSZ-YPMHNXCESA-N 1 1 344.375 1.388 20 5 EDBDMO CO[C@@H]1C[C@H](CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)[N@@H+](C)C1 ZINC000343579585 445249887 /nfs/dbraw/zinc/24/98/87/445249887.db2.gz KDNFLUGJDQBGRD-VXGBXAGGSA-N 1 1 340.355 1.917 20 5 EDBDMO COc1ccc(CNC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343644877 445279355 /nfs/dbraw/zinc/27/93/55/445279355.db2.gz BHZZOQADOJJDKG-AAEUAGOBSA-N 1 1 336.392 1.885 20 5 EDBDMO [NH3+]CC1CCC(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000343645891 445280064 /nfs/dbraw/zinc/28/00/64/445280064.db2.gz RTAYSOIMARCRAS-UHFFFAOYSA-N 1 1 331.376 1.966 20 5 EDBDMO C[C@@H]([NH3+])[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000351857515 445344830 /nfs/dbraw/zinc/34/48/30/445344830.db2.gz BZNXDKDXWYSRCV-NEPJUHHUSA-N 1 1 334.376 1.562 20 5 EDBDMO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000349127113 445515473 /nfs/dbraw/zinc/51/54/73/445515473.db2.gz HYKUDLMIZNSRDM-LLVKDONJSA-N 1 1 325.340 1.432 20 5 EDBDMO O=C1CNCCN1[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000362824721 445567230 /nfs/dbraw/zinc/56/72/30/445567230.db2.gz BKBFFDSZNPZAGP-MRXNPFEDSA-N 1 1 332.404 1.034 20 5 EDBDMO C[C@H](CCNc1ncc([N+](=O)[O-])c(N)n1)[N@@H+](C)Cc1ccccc1 ZINC000353451612 445608094 /nfs/dbraw/zinc/60/80/94/445608094.db2.gz SZKKZEPOWBTBPF-GFCCVEGCSA-N 1 1 330.392 1.711 20 5 EDBDMO CCN1CCO[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)C1 ZINC000363139249 445692856 /nfs/dbraw/zinc/69/28/56/445692856.db2.gz MQIXCKVEBWVZJW-QGZVFWFLSA-N 1 1 348.447 1.746 20 5 EDBDMO CC[N@@H+]1CCO[C@@H](CN2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)C1 ZINC000363139249 445692861 /nfs/dbraw/zinc/69/28/61/445692861.db2.gz MQIXCKVEBWVZJW-QGZVFWFLSA-N 1 1 348.447 1.746 20 5 EDBDMO CC[N@H+]1CCO[C@@H](CN2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)C1 ZINC000363139249 445692865 /nfs/dbraw/zinc/69/28/65/445692865.db2.gz MQIXCKVEBWVZJW-QGZVFWFLSA-N 1 1 348.447 1.746 20 5 EDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nc1 ZINC000363887234 445881769 /nfs/dbraw/zinc/88/17/69/445881769.db2.gz SYRZWKOAFWDOQB-AWEZNQCLSA-N 1 1 328.376 2.104 20 5 EDBDMO CCOCCN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000356573797 445865264 /nfs/dbraw/zinc/86/52/64/445865264.db2.gz HHAXCUJBHXUBNH-GFCCVEGCSA-N 1 1 337.376 1.483 20 5 EDBDMO O=C(C[N@@H+]1CC[C@@]2(CCOC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000365997357 445952332 /nfs/dbraw/zinc/95/23/32/445952332.db2.gz VTKGVCMMLZVAAF-MRXNPFEDSA-N 1 1 349.343 1.374 20 5 EDBDMO O=C(C[N@H+]1CC[C@@]2(CCOC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000365997357 445952338 /nfs/dbraw/zinc/95/23/38/445952338.db2.gz VTKGVCMMLZVAAF-MRXNPFEDSA-N 1 1 349.343 1.374 20 5 EDBDMO Cc1cc(C(=O)N2CCC[C@H]2c2nc(C[NH3+])no2)ccc1[N+](=O)[O-] ZINC000583692876 326120663 /nfs/dbraw/zinc/12/06/63/326120663.db2.gz KSXSWAJTFJDTGD-LBPRGKRZSA-N 1 1 331.332 1.722 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354282846 446078844 /nfs/dbraw/zinc/07/88/44/446078844.db2.gz PQVGNAGFTJNCKH-NSHDSACASA-N 1 1 325.390 1.418 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000354282846 446078848 /nfs/dbraw/zinc/07/88/48/446078848.db2.gz PQVGNAGFTJNCKH-NSHDSACASA-N 1 1 325.390 1.418 20 5 EDBDMO [NH3+][C@@H]1CC[C@@H]2CN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]12 ZINC000351479569 446080800 /nfs/dbraw/zinc/08/08/00/446080800.db2.gz RXXDDXCFEDGBDO-RAEVTNRLSA-N 1 1 330.388 1.369 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000370435666 446278931 /nfs/dbraw/zinc/27/89/31/446278931.db2.gz BRPXQLPWCNQITQ-SMDDNHRTSA-N 1 1 344.375 1.683 20 5 EDBDMO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000373623730 446284003 /nfs/dbraw/zinc/28/40/03/446284003.db2.gz GUEULPUYQKDBGZ-CJNGLKHVSA-N 1 1 329.360 1.815 20 5 EDBDMO COC(=O)C[C@]1([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000362262888 446291627 /nfs/dbraw/zinc/29/16/27/446291627.db2.gz PGOVSXFTRVIUKX-OAHLLOKOSA-N 1 1 342.323 1.554 20 5 EDBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000366684429 446308502 /nfs/dbraw/zinc/30/85/02/446308502.db2.gz KXBYWDPCCXBJOS-BQYQJAHWSA-N 1 1 347.415 1.913 20 5 EDBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000359631014 446327784 /nfs/dbraw/zinc/32/77/84/446327784.db2.gz FYSWKRQCCZGANF-OAHLLOKOSA-N 1 1 335.360 1.037 20 5 EDBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000359631014 446327787 /nfs/dbraw/zinc/32/77/87/446327787.db2.gz FYSWKRQCCZGANF-OAHLLOKOSA-N 1 1 335.360 1.037 20 5 EDBDMO O=C(CC[N@@H+]1CCN2C(=O)OC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000370549252 446327950 /nfs/dbraw/zinc/32/79/50/446327950.db2.gz YITDYEOFVHFOKI-LLVKDONJSA-N 1 1 334.332 1.060 20 5 EDBDMO O=C(CC[N@H+]1CCN2C(=O)OC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000370549252 446327955 /nfs/dbraw/zinc/32/79/55/446327955.db2.gz YITDYEOFVHFOKI-LLVKDONJSA-N 1 1 334.332 1.060 20 5 EDBDMO CC[N@@H+]1CCO[C@H](CN2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)C1 ZINC000373855381 446338417 /nfs/dbraw/zinc/33/84/17/446338417.db2.gz NZAMJWNBJOCRQJ-HNNXBMFYSA-N 1 1 349.435 1.020 20 5 EDBDMO CC[N@H+]1CCO[C@H](CN2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)C1 ZINC000373855381 446338424 /nfs/dbraw/zinc/33/84/24/446338424.db2.gz NZAMJWNBJOCRQJ-HNNXBMFYSA-N 1 1 349.435 1.020 20 5 EDBDMO CCN1CCO[C@H](C[NH+]2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)C1 ZINC000373855381 446338433 /nfs/dbraw/zinc/33/84/33/446338433.db2.gz NZAMJWNBJOCRQJ-HNNXBMFYSA-N 1 1 349.435 1.020 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000411363824 446508099 /nfs/dbraw/zinc/50/80/99/446508099.db2.gz UQECBRQLDVEQLB-CHWSQXEVSA-N 1 1 348.403 1.749 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000411404973 446523069 /nfs/dbraw/zinc/52/30/69/446523069.db2.gz XYWCGSVOQFWULV-AWEZNQCLSA-N 1 1 346.387 1.537 20 5 EDBDMO [NH3+]C1CCN(CCCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000433144228 446537288 /nfs/dbraw/zinc/53/72/88/446537288.db2.gz BMNYBYXETMUHFG-UHFFFAOYSA-N 1 1 332.404 1.687 20 5 EDBDMO O=c1[nH]c(N[C@@H]2CCc3[nH+]ccn3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000367718760 446578689 /nfs/dbraw/zinc/57/86/89/446578689.db2.gz ZSWUNQJDSLUZCG-SECBINFHSA-N 1 1 326.316 1.867 20 5 EDBDMO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411548857 446598868 /nfs/dbraw/zinc/59/88/68/446598868.db2.gz XXKXVBWUNKBCQX-IUODEOHRSA-N 1 1 337.376 1.395 20 5 EDBDMO C[C@@H](O)C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411548857 446598872 /nfs/dbraw/zinc/59/88/72/446598872.db2.gz XXKXVBWUNKBCQX-IUODEOHRSA-N 1 1 337.376 1.395 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000375320148 446718481 /nfs/dbraw/zinc/71/84/81/446718481.db2.gz QZPMEISEGGXKOM-CQSZACIVSA-N 1 1 344.375 1.770 20 5 EDBDMO O=C(C[N@@H+]1CC[C@@H](n2cncn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375332966 446727752 /nfs/dbraw/zinc/72/77/52/446727752.db2.gz RFTUOMZDRZBXCU-CQSZACIVSA-N 1 1 342.359 1.022 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H](n2cncn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375332966 446727760 /nfs/dbraw/zinc/72/77/60/446727760.db2.gz RFTUOMZDRZBXCU-CQSZACIVSA-N 1 1 342.359 1.022 20 5 EDBDMO COCCN1C(=O)N[C@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000411815842 446679880 /nfs/dbraw/zinc/67/98/80/446679880.db2.gz BFMDQYLCXCSWBQ-VBNZEHGJSA-N 1 1 348.403 1.770 20 5 EDBDMO COCCN1C(=O)N[C@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000411815842 446679883 /nfs/dbraw/zinc/67/98/83/446679883.db2.gz BFMDQYLCXCSWBQ-VBNZEHGJSA-N 1 1 348.403 1.770 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1F ZINC000411978492 446771100 /nfs/dbraw/zinc/77/11/00/446771100.db2.gz LIZWMCDFEFUXCV-SNVBAGLBSA-N 1 1 339.367 1.884 20 5 EDBDMO Cc1ccc(NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000454136509 446787976 /nfs/dbraw/zinc/78/79/76/446787976.db2.gz ACXTXGHVFJFRTO-BETUJISGSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1ccc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000454136509 446787979 /nfs/dbraw/zinc/78/79/79/446787979.db2.gz ACXTXGHVFJFRTO-BETUJISGSA-N 1 1 336.392 1.822 20 5 EDBDMO O=C1[C@H]([N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000412031498 446792741 /nfs/dbraw/zinc/79/27/41/446792741.db2.gz ATOSAHQUFSEMCL-UWWPHRKUSA-N 1 1 345.399 1.793 20 5 EDBDMO C[C@@H]1C[C@@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000424076029 446841932 /nfs/dbraw/zinc/84/19/32/446841932.db2.gz PXJZQELJRXYXHE-GMTAPVOTSA-N 1 1 331.376 1.917 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000439094563 446806093 /nfs/dbraw/zinc/80/60/93/446806093.db2.gz BTCMWVXJUCUMBC-LLVKDONJSA-N 1 1 331.376 2.387 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000419002008 446859182 /nfs/dbraw/zinc/85/91/82/446859182.db2.gz LWIJABYPMDOFEA-VXGBXAGGSA-N 1 1 347.375 1.536 20 5 EDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442551722 446905687 /nfs/dbraw/zinc/90/56/87/446905687.db2.gz FGAMEJNPLWMYLB-LLVKDONJSA-N 1 1 345.359 1.491 20 5 EDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412220479 446903046 /nfs/dbraw/zinc/90/30/46/446903046.db2.gz VRBGLPCIUMEDQD-BHYGNILZSA-N 1 1 347.415 1.613 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000420988897 446966360 /nfs/dbraw/zinc/96/63/60/446966360.db2.gz BDQFZRCFKAZXHQ-KBPBESRZSA-N 1 1 336.388 1.714 20 5 EDBDMO Cc1sc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425214939 447067884 /nfs/dbraw/zinc/06/78/84/447067884.db2.gz LGRPVHANEXYMHN-CMPLNLGQSA-N 1 1 345.446 1.679 20 5 EDBDMO Cc1sc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425214939 447067889 /nfs/dbraw/zinc/06/78/89/447067889.db2.gz LGRPVHANEXYMHN-CMPLNLGQSA-N 1 1 345.446 1.679 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000375818127 447077621 /nfs/dbraw/zinc/07/76/21/447077621.db2.gz VVFJSSFYTBRLSU-LSDHHAIUSA-N 1 1 332.404 1.752 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000375818759 447079315 /nfs/dbraw/zinc/07/93/15/447079315.db2.gz WZNMXAZUBMPCNZ-KBAYOESNSA-N 1 1 349.431 1.893 20 5 EDBDMO CN1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000375818759 447079323 /nfs/dbraw/zinc/07/93/23/447079323.db2.gz WZNMXAZUBMPCNZ-KBAYOESNSA-N 1 1 349.431 1.893 20 5 EDBDMO CN1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000375818759 447079332 /nfs/dbraw/zinc/07/93/32/447079332.db2.gz WZNMXAZUBMPCNZ-KBAYOESNSA-N 1 1 349.431 1.893 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000444176123 447089197 /nfs/dbraw/zinc/08/91/97/447089197.db2.gz NPHLLBJIMNGRSQ-UHFFFAOYSA-N 1 1 329.422 1.912 20 5 EDBDMO CNc1nc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000455552886 447165873 /nfs/dbraw/zinc/16/58/73/447165873.db2.gz LKMDDQXPSKRBLV-NSHDSACASA-N 1 1 333.392 1.778 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H](c2nnc[nH]2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000425551241 447226406 /nfs/dbraw/zinc/22/64/06/447226406.db2.gz QCTHXWRQRRJZLU-GFCCVEGCSA-N 1 1 342.359 1.092 20 5 EDBDMO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372714959 447240247 /nfs/dbraw/zinc/24/02/47/447240247.db2.gz MCXUTLZLVXIJNJ-OLZOCXBDSA-N 1 1 335.408 1.694 20 5 EDBDMO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372714959 447240254 /nfs/dbraw/zinc/24/02/54/447240254.db2.gz MCXUTLZLVXIJNJ-OLZOCXBDSA-N 1 1 335.408 1.694 20 5 EDBDMO O=C1NC[C@H]2C[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC[C@H]12 ZINC000377683922 447292244 /nfs/dbraw/zinc/29/22/44/447292244.db2.gz VKWSIAMXSAUBJX-AAEUAGOBSA-N 1 1 343.343 1.213 20 5 EDBDMO O=C1NC[C@H]2C[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC[C@H]12 ZINC000377683922 447292250 /nfs/dbraw/zinc/29/22/50/447292250.db2.gz VKWSIAMXSAUBJX-AAEUAGOBSA-N 1 1 343.343 1.213 20 5 EDBDMO C[C@H](CN1CC[NH+](C)CC1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450316582 447452078 /nfs/dbraw/zinc/45/20/78/447452078.db2.gz HSMDWGPASHHANY-CYBMUJFWSA-N 1 1 329.404 2.191 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000415495574 447478425 /nfs/dbraw/zinc/47/84/25/447478425.db2.gz FTUJLIAAJYQSPQ-CQSZACIVSA-N 1 1 326.328 1.769 20 5 EDBDMO CNC(=O)c1ccc(NC[C@H]2CCCC[N@H+]2CCO)c([N+](=O)[O-])c1 ZINC000450613251 447537614 /nfs/dbraw/zinc/53/76/14/447537614.db2.gz LGYGROKHELMNSR-CYBMUJFWSA-N 1 1 336.392 1.213 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000408074036 447626068 /nfs/dbraw/zinc/62/60/68/447626068.db2.gz SCOKNNUIMYTZEB-GHMZBOCLSA-N 1 1 335.360 1.531 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000408074036 447626072 /nfs/dbraw/zinc/62/60/72/447626072.db2.gz SCOKNNUIMYTZEB-GHMZBOCLSA-N 1 1 335.360 1.531 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)c1C ZINC000416499103 447626665 /nfs/dbraw/zinc/62/66/65/447626665.db2.gz ZSPAWMJNTRDGCM-LBPRGKRZSA-N 1 1 327.406 1.442 20 5 EDBDMO C[N@@H+](CCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000416503043 447629454 /nfs/dbraw/zinc/62/94/54/447629454.db2.gz UDBJPTPADJWJRQ-UHFFFAOYSA-N 1 1 327.406 1.748 20 5 EDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000500409388 448087134 /nfs/dbraw/zinc/08/71/34/448087134.db2.gz JZFRTVSWBSNDQD-GLQYFDAESA-N 1 1 343.387 1.590 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531821408 448153052 /nfs/dbraw/zinc/15/30/52/448153052.db2.gz KHUOTFVGOZEXPP-YGRLFVJLSA-N 1 1 347.371 1.579 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492764101 448283786 /nfs/dbraw/zinc/28/37/86/448283786.db2.gz PBKDAOJFZRKQLK-CKXPSTMWSA-N 1 1 347.415 1.912 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+](C2CC2)C1 ZINC000578114487 448463885 /nfs/dbraw/zinc/46/38/85/448463885.db2.gz HXOCJTRMYPHHBA-NSHDSACASA-N 1 1 347.371 1.880 20 5 EDBDMO O=C(CC[NH2+]Cc1nnnn1CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000578524306 448571596 /nfs/dbraw/zinc/57/15/96/448571596.db2.gz UMKZSDWVSNUVRH-UHFFFAOYSA-N 1 1 345.363 1.110 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000573385254 448614156 /nfs/dbraw/zinc/61/41/56/448614156.db2.gz SQGYLKADNIRZGS-AAEUAGOBSA-N 1 1 335.408 1.834 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CSC[C@H]1C[N@H+](C)CCO1 ZINC000573322852 448599851 /nfs/dbraw/zinc/59/98/51/448599851.db2.gz GMYLPGFOJKVHOR-GFCCVEGCSA-N 1 1 339.417 1.906 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CSC[C@H]1C[N@@H+](C)CCO1 ZINC000573322852 448599855 /nfs/dbraw/zinc/59/98/55/448599855.db2.gz GMYLPGFOJKVHOR-GFCCVEGCSA-N 1 1 339.417 1.906 20 5 EDBDMO CC(C)N1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000517922593 448630294 /nfs/dbraw/zinc/63/02/94/448630294.db2.gz LJMVFPNQVKWMSY-HNNXBMFYSA-N 1 1 337.420 1.797 20 5 EDBDMO CC(C)[NH+]1CCC(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000517922593 448630298 /nfs/dbraw/zinc/63/02/98/448630298.db2.gz LJMVFPNQVKWMSY-HNNXBMFYSA-N 1 1 337.420 1.797 20 5 EDBDMO CC(C)Oc1nc(N[C@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000584790897 448634639 /nfs/dbraw/zinc/63/46/39/448634639.db2.gz XAERCXRBMVCKSW-ZDUSSCGKSA-N 1 1 338.408 2.036 20 5 EDBDMO C[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@H+]1C ZINC000587985127 448850424 /nfs/dbraw/zinc/85/04/24/448850424.db2.gz WNLCQOIVXWROEG-MNOVXSKESA-N 1 1 333.392 1.680 20 5 EDBDMO CC(C)c1ccc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000588830338 448936211 /nfs/dbraw/zinc/93/62/11/448936211.db2.gz XQJLHQQLORNTBW-OAHLLOKOSA-N 1 1 346.431 1.838 20 5 EDBDMO CNc1nccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1[N+](=O)[O-] ZINC000580568745 448952162 /nfs/dbraw/zinc/95/21/62/448952162.db2.gz OPJNCTFHHXLZON-OLZOCXBDSA-N 1 1 347.419 2.119 20 5 EDBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000548169740 448997078 /nfs/dbraw/zinc/99/70/78/448997078.db2.gz UYRFIZSPCKRJAB-LLVKDONJSA-N 1 1 332.364 1.392 20 5 EDBDMO CCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CC[N@@H+](C)C1 ZINC000592832589 449008561 /nfs/dbraw/zinc/00/85/61/449008561.db2.gz UFXOZLYDTCZMFK-AWEZNQCLSA-N 1 1 337.424 1.741 20 5 EDBDMO CNC(=O)C1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589494589 449026115 /nfs/dbraw/zinc/02/61/15/449026115.db2.gz HNLLCBAASLUEIS-UHFFFAOYSA-N 1 1 335.360 1.339 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1 ZINC000595727388 449133270 /nfs/dbraw/zinc/13/32/70/449133270.db2.gz BRTKJLABLDTMQK-JSGCOSHPSA-N 1 1 347.371 1.482 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1 ZINC000595727388 449133272 /nfs/dbraw/zinc/13/32/72/449133272.db2.gz BRTKJLABLDTMQK-JSGCOSHPSA-N 1 1 347.371 1.482 20 5 EDBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599939721 449118023 /nfs/dbraw/zinc/11/80/23/449118023.db2.gz YIFUAYLVDVPABM-RYUDHWBXSA-N 1 1 344.371 1.357 20 5 EDBDMO C[C@@]12COC[C@]1(C)C[N@@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC000595688513 449119700 /nfs/dbraw/zinc/11/97/00/449119700.db2.gz IZCVPIXHEORFNN-HDICACEKSA-N 1 1 345.399 1.842 20 5 EDBDMO C[C@@]12COC[C@]1(C)C[N@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC000595688513 449119703 /nfs/dbraw/zinc/11/97/03/449119703.db2.gz IZCVPIXHEORFNN-HDICACEKSA-N 1 1 345.399 1.842 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590282229 449124679 /nfs/dbraw/zinc/12/46/79/449124679.db2.gz ULTIIYWEPMGWTD-BXUZGUMPSA-N 1 1 332.360 1.004 20 5 EDBDMO 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348.403 1.890 20 5 EDBDMO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602791418 449812046 /nfs/dbraw/zinc/81/20/46/449812046.db2.gz BSHBJCMNJPEYQS-BXUZGUMPSA-N 1 1 332.360 1.968 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CN(c2ccncn2)C1 ZINC000601304839 449814554 /nfs/dbraw/zinc/81/45/54/449814554.db2.gz WJESPMYKGKLNOP-LLVKDONJSA-N 1 1 329.360 1.933 20 5 EDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](Cn3ccnn3)C1)OCCO2 ZINC000597173671 449853067 /nfs/dbraw/zinc/85/30/67/449853067.db2.gz GVWLWZKZQGIUGS-GFCCVEGCSA-N 1 1 345.359 1.480 20 5 EDBDMO C[C@]12C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602935304 449937107 /nfs/dbraw/zinc/93/71/07/449937107.db2.gz KCNJXYQVEXEYCW-GASCZTMLSA-N 1 1 337.763 1.733 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2nccs2)c1 ZINC000608982487 449953606 /nfs/dbraw/zinc/95/36/06/449953606.db2.gz NTTVDNFYZPYBOX-UHFFFAOYSA-N 1 1 342.402 1.119 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602951915 449953768 /nfs/dbraw/zinc/95/37/68/449953768.db2.gz LZUSNBWZBOCJQP-OLZOCXBDSA-N 1 1 335.408 1.914 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000601394593 449910404 /nfs/dbraw/zinc/91/04/04/449910404.db2.gz VCCXVBZTDLEFKA-UHFFFAOYSA-N 1 1 333.435 1.679 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599416115 449962869 /nfs/dbraw/zinc/96/28/69/449962869.db2.gz SSLNJUJFRADAAK-CYBMUJFWSA-N 1 1 341.433 1.913 20 5 EDBDMO CO[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@](C)(CO)C1 ZINC000602963183 449964212 /nfs/dbraw/zinc/96/42/12/449964212.db2.gz BYECAYLNFFCXLG-GOEBONIOSA-N 1 1 338.360 1.433 20 5 EDBDMO CO[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@](C)(CO)C1 ZINC000602963183 449964217 /nfs/dbraw/zinc/96/42/17/449964217.db2.gz BYECAYLNFFCXLG-GOEBONIOSA-N 1 1 338.360 1.433 20 5 EDBDMO CC(C)(C)c1ncc2c(n1)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 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COC(=O)COc1ccc(C[N@H+]2CCCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000616135975 450332006 /nfs/dbraw/zinc/33/20/06/450332006.db2.gz FIWYAJGCBWAEBS-GFCCVEGCSA-N 1 1 338.360 1.757 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619481980 450485553 /nfs/dbraw/zinc/48/55/53/450485553.db2.gz CCWUTWFJRNIGDR-UHFFFAOYSA-N 1 1 343.405 1.320 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619481980 450485556 /nfs/dbraw/zinc/48/55/56/450485556.db2.gz CCWUTWFJRNIGDR-UHFFFAOYSA-N 1 1 343.405 1.320 20 5 EDBDMO Cc1cccc(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000184311477 534615007 /nfs/dbraw/zinc/61/50/07/534615007.db2.gz WQKVTUIAEFEWEF-AWEZNQCLSA-N 1 1 334.420 1.659 20 5 EDBDMO CC[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000174630843 529280468 /nfs/dbraw/zinc/28/04/68/529280468.db2.gz QFPNZHSFBGXZIB-HIFRSBDPSA-N 1 1 335.404 1.820 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000345353772 535128056 /nfs/dbraw/zinc/12/80/56/535128056.db2.gz WMIMDMZKIRUKHO-CYBMUJFWSA-N 1 1 336.392 1.462 20 5 EDBDMO CN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000353311578 535996316 /nfs/dbraw/zinc/99/63/16/535996316.db2.gz ATDUGTQVIVOZPH-HNNXBMFYSA-N 1 1 346.387 1.020 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000124614961 536759970 /nfs/dbraw/zinc/75/99/70/536759970.db2.gz NLJCIWHCRVXUDO-INIZCTEOSA-N 1 1 337.376 1.779 20 5 EDBDMO C[C@H](C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741017961 579393780 /nfs/dbraw/zinc/39/37/80/579393780.db2.gz DOSRYCORDONCKQ-GRYCIOLGSA-N 1 1 349.387 1.998 20 5 EDBDMO CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732188508 578696189 /nfs/dbraw/zinc/69/61/89/578696189.db2.gz JYNAOWWRPYXEKZ-INIZCTEOSA-N 1 1 342.403 1.979 20 5 EDBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC[NH+]1CCSCC1 ZINC000732777665 578727418 /nfs/dbraw/zinc/72/74/18/578727418.db2.gz UWZKQMKPSPBWEP-UHFFFAOYSA-N 1 1 349.416 1.110 20 5 EDBDMO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000761077210 580046839 /nfs/dbraw/zinc/04/68/39/580046839.db2.gz LESFKKIVUUEITN-SNVBAGLBSA-N 1 1 326.784 1.823 20 5 EDBDMO C[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000747985134 579665816 /nfs/dbraw/zinc/66/58/16/579665816.db2.gz YXYLVBTYLURARE-AWEZNQCLSA-N 1 1 346.431 1.974 20 5 EDBDMO C[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@H+]1C ZINC000747985134 579665817 /nfs/dbraw/zinc/66/58/17/579665817.db2.gz YXYLVBTYLURARE-AWEZNQCLSA-N 1 1 346.431 1.974 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCOCC1 ZINC000748500362 579690665 /nfs/dbraw/zinc/69/06/65/579690665.db2.gz OQZIFAPVBZZRFS-UHFFFAOYSA-N 1 1 337.376 1.540 20 5 EDBDMO CN(CC(=O)OCCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000750889897 579786179 /nfs/dbraw/zinc/78/61/79/579786179.db2.gz IKDXFFIOPSEBLE-UHFFFAOYSA-N 1 1 337.376 1.297 20 5 EDBDMO Cc1nn(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000767781848 580199382 /nfs/dbraw/zinc/19/93/82/580199382.db2.gz LXYIGADIQPENCW-KBPBESRZSA-N 1 1 349.416 1.812 20 5 EDBDMO Cc1nn(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000767781848 580199383 /nfs/dbraw/zinc/19/93/83/580199383.db2.gz LXYIGADIQPENCW-KBPBESRZSA-N 1 1 349.416 1.812 20 5 EDBDMO CS[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000776595883 580423343 /nfs/dbraw/zinc/42/33/43/580423343.db2.gz BUIHAHHTRLPIKF-RBSFLKMASA-N 1 1 325.434 1.606 20 5 EDBDMO CS[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000776595883 580423344 /nfs/dbraw/zinc/42/33/44/580423344.db2.gz BUIHAHHTRLPIKF-RBSFLKMASA-N 1 1 325.434 1.606 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+]1CCC[C@H]1C ZINC000780867531 580536029 /nfs/dbraw/zinc/53/60/29/580536029.db2.gz MPXXVFZHPMDGDK-LLVKDONJSA-N 1 1 343.405 1.366 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)c1C ZINC000780868258 580536163 /nfs/dbraw/zinc/53/61/63/580536163.db2.gz RSARVJGQUBLOEI-LBPRGKRZSA-N 1 1 341.433 1.974 20 5 EDBDMO CC[N@@H+](CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C(C)C ZINC000781970784 580562091 /nfs/dbraw/zinc/56/20/91/580562091.db2.gz RMEWQCZHPATYRB-MRXNPFEDSA-N 1 1 348.403 1.934 20 5 EDBDMO CO[C@@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H]1OC ZINC000792709668 580825200 /nfs/dbraw/zinc/82/52/00/580825200.db2.gz JXFPZDQVVJMDIH-IYBDPMFKSA-N 1 1 332.360 1.761 20 5 EDBDMO CO[C@@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H]1OC ZINC000792709668 580825201 /nfs/dbraw/zinc/82/52/01/580825201.db2.gz JXFPZDQVVJMDIH-IYBDPMFKSA-N 1 1 332.360 1.761 20 5 EDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000794708387 580903924 /nfs/dbraw/zinc/90/39/24/580903924.db2.gz AAHTUJZVGSUXAL-INIZCTEOSA-N 1 1 329.360 1.613 20 5 EDBDMO CN(C(=O)C[NH2+]C(C)(C)C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000796579961 580957107 /nfs/dbraw/zinc/95/71/07/580957107.db2.gz LGMCWTLYHFHPDF-UHFFFAOYSA-N 1 1 348.403 1.548 20 5 EDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000797416246 580975159 /nfs/dbraw/zinc/97/51/59/580975159.db2.gz ZCEFDNSMQWUFNB-HNNXBMFYSA-N 1 1 332.364 1.063 20 5 EDBDMO CC1(C)C[NH+](CCOC(=O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000893477343 590897822 /nfs/dbraw/zinc/89/78/22/590897822.db2.gz PMSGSHDZQFNWEQ-UHFFFAOYSA-N 1 1 340.380 1.224 20 5 EDBDMO C[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000896541022 591504539 /nfs/dbraw/zinc/50/45/39/591504539.db2.gz BZJQMUFHUCFWGA-XEZPLFJOSA-N 1 1 334.420 1.449 20 5 EDBDMO CNc1c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896550444 591515714 /nfs/dbraw/zinc/51/57/14/591515714.db2.gz YUPBWUDIPMZDGS-SMDDNHRTSA-N 1 1 335.408 1.001 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)c(C)cc1[N+](=O)[O-] ZINC000903208212 592138474 /nfs/dbraw/zinc/13/84/74/592138474.db2.gz CTFMRADURCJYGZ-ZDUSSCGKSA-N 1 1 339.417 1.680 20 5 EDBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000900801824 592143298 /nfs/dbraw/zinc/14/32/98/592143298.db2.gz DZDJDJZYLBEQSY-MFKMUULPSA-N 1 1 340.811 1.612 20 5 EDBDMO Cc1cc(N2CC[C@H]([NH2+]CC[N+](=O)[O-])C2=O)ccc1Br ZINC000905214464 592469161 /nfs/dbraw/zinc/46/91/61/592469161.db2.gz IDNVOUYVOVVECB-LBPRGKRZSA-N 1 1 342.193 1.729 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907440961 592635643 /nfs/dbraw/zinc/63/56/43/592635643.db2.gz UOXMYVMYZQKVHZ-UHFFFAOYSA-N 1 1 343.811 1.611 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906623106 592860072 /nfs/dbraw/zinc/86/00/72/592860072.db2.gz WATYTGXDAJQGNY-LBPRGKRZSA-N 1 1 349.387 1.828 20 5 EDBDMO C[C@H]1C[N@H+](C)C[C@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)O1 ZINC000911474897 592923414 /nfs/dbraw/zinc/92/34/14/592923414.db2.gz ZQLTWGUCBFGFOX-ISVAXAHUSA-N 1 1 329.303 1.208 20 5 EDBDMO C[C@H]1C[N@@H+](C)C[C@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)O1 ZINC000911474897 592923416 /nfs/dbraw/zinc/92/34/16/592923416.db2.gz ZQLTWGUCBFGFOX-ISVAXAHUSA-N 1 1 329.303 1.208 20 5 EDBDMO C[C@@H]1CN(CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000840089553 593162830 /nfs/dbraw/zinc/16/28/30/593162830.db2.gz HIYIWONKZNCNCD-IIYDPXPESA-N 1 1 348.403 1.514 20 5 EDBDMO COc1cccc(C(=O)OC[C@H]2C[N@@H+](C(C)C)CCO2)c1[N+](=O)[O-] ZINC000802137310 593222529 /nfs/dbraw/zinc/22/25/29/593222529.db2.gz PWTQXOVEHXGRNA-GFCCVEGCSA-N 1 1 338.360 1.869 20 5 EDBDMO COc1cccc(C(=O)OC[C@H]2C[N@H+](C(C)C)CCO2)c1[N+](=O)[O-] ZINC000802137310 593222531 /nfs/dbraw/zinc/22/25/31/593222531.db2.gz PWTQXOVEHXGRNA-GFCCVEGCSA-N 1 1 338.360 1.869 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000840152473 593304747 /nfs/dbraw/zinc/30/47/47/593304747.db2.gz NCZBVPJULJSGMZ-SNVBAGLBSA-N 1 1 346.229 1.926 20 5 EDBDMO CC(C)[C@@H](C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[NH+](C)C ZINC000803494617 593336481 /nfs/dbraw/zinc/33/64/81/593336481.db2.gz JBCOTZJTPJKGBJ-INIZCTEOSA-N 1 1 349.387 1.613 20 5 EDBDMO C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1CO ZINC000839574449 593341551 /nfs/dbraw/zinc/34/15/51/593341551.db2.gz MAVBFHKEDGHCNR-ZANVPECISA-N 1 1 327.768 1.889 20 5 EDBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1CO ZINC000839574449 593341554 /nfs/dbraw/zinc/34/15/54/593341554.db2.gz MAVBFHKEDGHCNR-ZANVPECISA-N 1 1 327.768 1.889 20 5 EDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)CN1CCOCC1 ZINC000839674339 593367862 /nfs/dbraw/zinc/36/78/62/593367862.db2.gz NJPHBIRFMGRKAD-INIZCTEOSA-N 1 1 337.420 1.671 20 5 EDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813516445 593537887 /nfs/dbraw/zinc/53/78/87/593537887.db2.gz DHDNXNVENNLXOL-CYBMUJFWSA-N 1 1 348.186 1.698 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000813740044 593552479 /nfs/dbraw/zinc/55/24/79/593552479.db2.gz XNJOCEMCWJAAOU-JOYOIKCWSA-N 1 1 345.808 1.573 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000816950202 593562451 /nfs/dbraw/zinc/56/24/51/593562451.db2.gz NGVDDKSYVHEISG-IUODEOHRSA-N 1 1 329.360 1.107 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000817374243 593598130 /nfs/dbraw/zinc/59/81/30/593598130.db2.gz QTKVYAPQIBFCGU-LLVKDONJSA-N 1 1 332.360 1.174 20 5 EDBDMO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C ZINC000820656574 593854684 /nfs/dbraw/zinc/85/46/84/593854684.db2.gz GPAKISBBVPGWHO-MNOVXSKESA-N 1 1 331.380 1.694 20 5 EDBDMO C[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000823993388 593903159 /nfs/dbraw/zinc/90/31/59/593903159.db2.gz DTTYCXGGPHCZDX-LLVKDONJSA-N 1 1 337.380 1.267 20 5 EDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821087534 593962563 /nfs/dbraw/zinc/96/25/63/593962563.db2.gz CSOAEKMTUFCWQD-GFCCVEGCSA-N 1 1 345.407 1.943 20 5 EDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000821101271 593966200 /nfs/dbraw/zinc/96/62/00/593966200.db2.gz IKBAZLVHRXCSOK-AWEZNQCLSA-N 1 1 335.404 1.740 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000822160495 594002255 /nfs/dbraw/zinc/00/22/55/594002255.db2.gz SSWMJBABAXIZLP-UHOFOFEASA-N 1 1 333.388 1.223 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000822160495 594002257 /nfs/dbraw/zinc/00/22/57/594002257.db2.gz SSWMJBABAXIZLP-UHOFOFEASA-N 1 1 333.388 1.223 20 5 EDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C1=CC[N@@H+](C)CC1 ZINC000824658536 594052121 /nfs/dbraw/zinc/05/21/21/594052121.db2.gz XXDLDEKINKWHTC-JTQLQIEISA-N 1 1 329.364 1.837 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC000825182160 594143733 /nfs/dbraw/zinc/14/37/33/594143733.db2.gz YJLNLTIWOBUIPD-HNNXBMFYSA-N 1 1 343.387 1.581 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@](C)(O)c1ccccc1 ZINC000823605130 594220921 /nfs/dbraw/zinc/22/09/21/594220921.db2.gz IBYNAIFHTKVYTH-QGZVFWFLSA-N 1 1 331.372 1.596 20 5 EDBDMO C[N@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)CC2 ZINC000826034420 594311676 /nfs/dbraw/zinc/31/16/76/594311676.db2.gz QGLZLQVYZKNJTG-UHFFFAOYSA-N 1 1 344.379 1.235 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000826636384 594544522 /nfs/dbraw/zinc/54/45/22/594544522.db2.gz UHBIMGGKKMTHPX-HNNXBMFYSA-N 1 1 343.387 1.490 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000831724077 594696554 /nfs/dbraw/zinc/69/65/54/594696554.db2.gz SUXQUKYVRBCASA-YGRLFVJLSA-N 1 1 338.795 1.823 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000832264567 594738915 /nfs/dbraw/zinc/73/89/15/594738915.db2.gz DLWPYCFJXUUDFU-SKDRFNHKSA-N 1 1 345.808 1.573 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000832264567 594738916 /nfs/dbraw/zinc/73/89/16/594738916.db2.gz DLWPYCFJXUUDFU-SKDRFNHKSA-N 1 1 345.808 1.573 20 5 EDBDMO O=C1O[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1C1CC1 ZINC000844274603 595314996 /nfs/dbraw/zinc/31/49/96/595314996.db2.gz DMUPNORBGAJJBB-AWEZNQCLSA-N 1 1 347.375 1.095 20 5 EDBDMO O=C1O[C@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CN1C1CC1 ZINC000844306890 595320678 /nfs/dbraw/zinc/32/06/78/595320678.db2.gz LXLUEEYBNULUJO-SMDDNHRTSA-N 1 1 347.375 1.459 20 5 EDBDMO C[C@H]1COCC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481796 595390689 /nfs/dbraw/zinc/39/06/89/595390689.db2.gz DLPZMUQERAZTPA-CJNGLKHVSA-N 1 1 333.388 1.837 20 5 EDBDMO C[C@H]1COCC[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481796 595390691 /nfs/dbraw/zinc/39/06/91/595390691.db2.gz DLPZMUQERAZTPA-CJNGLKHVSA-N 1 1 333.388 1.837 20 5 EDBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cs1 ZINC000848507951 595399321 /nfs/dbraw/zinc/39/93/21/595399321.db2.gz BMQVKWKMAUQPDQ-RYUDHWBXSA-N 1 1 345.446 1.952 20 5 EDBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cs1 ZINC000848507951 595399324 /nfs/dbraw/zinc/39/93/24/595399324.db2.gz BMQVKWKMAUQPDQ-RYUDHWBXSA-N 1 1 345.446 1.952 20 5 EDBDMO COc1cc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c([N+](=O)[O-])cc1O ZINC000848577172 595407374 /nfs/dbraw/zinc/40/73/74/595407374.db2.gz BCYXKUYPXMOIMH-LLVKDONJSA-N 1 1 337.332 1.382 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000850592173 595542274 /nfs/dbraw/zinc/54/22/74/595542274.db2.gz HWHKGIXJERDTDP-UHFFFAOYSA-N 1 1 347.824 1.929 20 5 EDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857767461 595601779 /nfs/dbraw/zinc/60/17/79/595601779.db2.gz DLQLQWIZAGITQO-CYBMUJFWSA-N 1 1 347.293 1.726 20 5 EDBDMO CCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000855360971 595685508 /nfs/dbraw/zinc/68/55/08/595685508.db2.gz PTLWLBWFSKCBOL-JTQLQIEISA-N 1 1 335.389 1.766 20 5 EDBDMO CN(C)C(=O)[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853516846 595780020 /nfs/dbraw/zinc/78/00/20/595780020.db2.gz WNVCPWGMXIVIMX-LBPRGKRZSA-N 1 1 344.375 1.221 20 5 EDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853516846 595780023 /nfs/dbraw/zinc/78/00/23/595780023.db2.gz WNVCPWGMXIVIMX-LBPRGKRZSA-N 1 1 344.375 1.221 20 5 EDBDMO C[C@]12COC[C@@H]1C[N@@H+](Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000853565377 595806215 /nfs/dbraw/zinc/80/62/15/595806215.db2.gz DYVFYQRKSXIWJF-BBRMVZONSA-N 1 1 329.360 1.779 20 5 EDBDMO O=C(Cn1cnc([N+](=O)[O-])n1)OC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000851465853 595816680 /nfs/dbraw/zinc/81/66/80/595816680.db2.gz DXTPPHBGWYZCAO-ZDUSSCGKSA-N 1 1 331.332 1.004 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000860976460 595851263 /nfs/dbraw/zinc/85/12/63/595851263.db2.gz WCAMVJSQUNJIGI-QWRGUYRKSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000860976460 595851265 /nfs/dbraw/zinc/85/12/65/595851265.db2.gz WCAMVJSQUNJIGI-QWRGUYRKSA-N 1 1 341.795 1.775 20 5 EDBDMO CC1([NH+]2CCOCC2)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000859777739 596194871 /nfs/dbraw/zinc/19/48/71/596194871.db2.gz XBVBHDAWGZRPKN-KRWDZBQOSA-N 1 1 349.431 1.815 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)cc1F ZINC000866753882 596322838 /nfs/dbraw/zinc/32/28/38/596322838.db2.gz GVVOQGSTTBALQE-LLVKDONJSA-N 1 1 345.396 1.662 20 5 EDBDMO C[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)CC1(C)COC1 ZINC000863299115 596543307 /nfs/dbraw/zinc/54/33/07/596543307.db2.gz UXLSFDVOPWSDHG-UHFFFAOYSA-N 1 1 348.359 1.289 20 5 EDBDMO C[N@@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)CC1(C)COC1 ZINC000863299115 596543308 /nfs/dbraw/zinc/54/33/08/596543308.db2.gz UXLSFDVOPWSDHG-UHFFFAOYSA-N 1 1 348.359 1.289 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000867812491 596564884 /nfs/dbraw/zinc/56/48/84/596564884.db2.gz KKBOZUWCTRSASP-GWCFXTLKSA-N 1 1 343.380 1.449 20 5 EDBDMO C[N@@H+](CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000863503082 596602800 /nfs/dbraw/zinc/60/28/00/596602800.db2.gz XJWUDEFZJONKCG-MRXNPFEDSA-N 1 1 332.360 1.456 20 5 EDBDMO CC[NH2+][C@@H](C)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000863672477 596653293 /nfs/dbraw/zinc/65/32/93/596653293.db2.gz HOABUJAGIQDIAG-JTQLQIEISA-N 1 1 333.348 1.507 20 5 EDBDMO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000124027062 596867235 /nfs/dbraw/zinc/86/72/35/596867235.db2.gz VMTVMQKGWDVHAB-DTORHVGOSA-N 1 1 333.797 1.619 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000874253605 596987993 /nfs/dbraw/zinc/98/79/93/596987993.db2.gz SXUKDTALYHHWQW-KBPBESRZSA-N 1 1 333.388 1.805 20 5 EDBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000872780166 597064638 /nfs/dbraw/zinc/06/46/38/597064638.db2.gz KCEVPHNWBVFBII-OLZOCXBDSA-N 1 1 339.417 1.671 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000872780166 597064640 /nfs/dbraw/zinc/06/46/40/597064640.db2.gz KCEVPHNWBVFBII-OLZOCXBDSA-N 1 1 339.417 1.671 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000874836839 597192718 /nfs/dbraw/zinc/19/27/18/597192718.db2.gz FMVRHEOITCARLX-UONOGXRCSA-N 1 1 347.371 1.675 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]21 ZINC000877744426 597552303 /nfs/dbraw/zinc/55/23/03/597552303.db2.gz STTFCSPIXVKYGP-MLGOLLRUSA-N 1 1 333.388 1.987 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879576074 597638983 /nfs/dbraw/zinc/63/89/83/597638983.db2.gz PQBIDVXMDMKPDL-WWGRRREGSA-N 1 1 332.404 1.948 20 5 EDBDMO COc1cc(C[NH+]2CCC([C@@H](F)C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000879041357 597796831 /nfs/dbraw/zinc/79/68/31/597796831.db2.gz FALVUVDNVSMOCD-CQSZACIVSA-N 1 1 325.340 1.639 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880135481 597852034 /nfs/dbraw/zinc/85/20/34/597852034.db2.gz WCBVAQRCKXYIJN-LSDHHAIUSA-N 1 1 348.403 1.710 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880577862 597968919 /nfs/dbraw/zinc/96/89/19/597968919.db2.gz CKAABDRLRWXUMV-HNNXBMFYSA-N 1 1 336.388 1.967 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000882495658 597977634 /nfs/dbraw/zinc/97/76/34/597977634.db2.gz JLRVAAKCEDCJAW-GFCCVEGCSA-N 1 1 347.350 1.744 20 5 EDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c(-c2nn[nH]n2)c1 ZINC000738369231 598504380 /nfs/dbraw/zinc/50/43/80/598504380.db2.gz JLQGLMNVZBQKRJ-SNVBAGLBSA-N 1 1 330.352 1.066 20 5 EDBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000917223567 696975065 /nfs/dbraw/zinc/97/50/65/696975065.db2.gz KGRJTDLMTPESHT-ZIAGYGMSSA-N 1 1 349.435 1.591 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)C1CCOCC1 ZINC001031513925 697195126 /nfs/dbraw/zinc/19/51/26/697195126.db2.gz VLWJUQKUYYUWCH-UHFFFAOYSA-N 1 1 333.388 1.569 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccncc1 ZINC001031514412 697195776 /nfs/dbraw/zinc/19/57/76/697195776.db2.gz PURAPSFNUBQYSU-UHFFFAOYSA-N 1 1 326.356 1.852 20 5 EDBDMO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC001031566261 697257126 /nfs/dbraw/zinc/25/71/26/697257126.db2.gz QAOPHPWKTQXJMX-UHFFFAOYSA-N 1 1 343.387 1.499 20 5 EDBDMO Cc1ccc(NCCCNC(=O)NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000919875318 697356964 /nfs/dbraw/zinc/35/69/64/697356964.db2.gz RJDRXJPNFXHCQW-CYBMUJFWSA-N 1 1 335.408 1.709 20 5 EDBDMO O=C(NCC1CN(Cc2ccc(F)c(Cl)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661962 697437033 /nfs/dbraw/zinc/43/70/33/697437033.db2.gz OUEPZRPTAJSLBJ-BXUZGUMPSA-N 1 1 341.770 1.692 20 5 EDBDMO Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC000940108004 700220125 /nfs/dbraw/zinc/22/01/25/700220125.db2.gz VFYPWZNSLJYLQM-VXGBXAGGSA-N 1 1 338.433 1.587 20 5 EDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccsn1 ZINC001031760153 699013821 /nfs/dbraw/zinc/01/38/21/699013821.db2.gz WQJAELJKAICKQR-UHFFFAOYSA-N 1 1 332.385 1.913 20 5 EDBDMO Cn1cncc1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001031819434 699555750 /nfs/dbraw/zinc/55/57/50/699555750.db2.gz TUAHDXYAERYBGV-UHFFFAOYSA-N 1 1 329.360 1.190 20 5 EDBDMO Cc1nccc(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC001032193877 701631260 /nfs/dbraw/zinc/63/12/60/701631260.db2.gz IXEHEVJVUWFLHV-UHFFFAOYSA-N 1 1 341.371 1.555 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1csc(=O)[nH]1 ZINC001031914119 700953195 /nfs/dbraw/zinc/95/31/95/700953195.db2.gz ARLRGGRMLDFANJ-UHFFFAOYSA-N 1 1 348.384 1.619 20 5 EDBDMO COc1ccnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000997767544 704671025 /nfs/dbraw/zinc/67/10/25/704671025.db2.gz HIBDSAGAESNIEM-HZPDHXFCSA-N 1 1 348.403 1.084 20 5 EDBDMO C[C@H](c1cccnc1)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174864379 231327031 /nfs/dbraw/zinc/32/70/31/231327031.db2.gz OYLBRQQLOIONDU-CQSZACIVSA-N 1 1 330.392 1.565 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000433837413 305113699 /nfs/dbraw/zinc/11/36/99/305113699.db2.gz TYVNGMYKUYFMMT-UHFFFAOYSA-N 1 1 327.385 1.139 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(=O)NCc1ccco1 ZINC000101591077 219143024 /nfs/dbraw/zinc/14/30/24/219143024.db2.gz LAPONTVIUKTEQG-UHFFFAOYSA-N 1 1 333.344 1.993 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCN(C(N)=O)CC1 ZINC000102180549 219189507 /nfs/dbraw/zinc/18/95/07/219189507.db2.gz CLWMBXPJSKPMIL-UHFFFAOYSA-N 1 1 349.391 1.318 20 5 EDBDMO Cc1cc(OCC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000563389051 306331361 /nfs/dbraw/zinc/33/13/61/306331361.db2.gz ZHTKYASCTFRJHD-UHFFFAOYSA-N 1 1 345.359 1.354 20 5 EDBDMO CCOC[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000081519060 138266927 /nfs/dbraw/zinc/26/69/27/138266927.db2.gz LHHBJVILPSNURF-CYBMUJFWSA-N 1 1 333.388 1.842 20 5 EDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCOCC1 ZINC000123957802 138322681 /nfs/dbraw/zinc/32/26/81/138322681.db2.gz FXEDZVMPOSRBOS-UHFFFAOYSA-N 1 1 337.376 1.154 20 5 EDBDMO Cc1c(CC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000186957265 236077951 /nfs/dbraw/zinc/07/79/51/236077951.db2.gz UQRRCBJTYQADPW-CYBMUJFWSA-N 1 1 349.431 1.749 20 5 EDBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000187938168 236349407 /nfs/dbraw/zinc/34/94/07/236349407.db2.gz XAMVVULBTSDQGD-JLJPHGGASA-N 1 1 338.404 1.817 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413898349 304085770 /nfs/dbraw/zinc/08/57/70/304085770.db2.gz IMCBONCINJBEND-GFCCVEGCSA-N 1 1 335.360 1.080 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413898349 304085771 /nfs/dbraw/zinc/08/57/71/304085771.db2.gz IMCBONCINJBEND-GFCCVEGCSA-N 1 1 335.360 1.080 20 5 EDBDMO COc1ccc(NC(=O)C[NH2+][C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000182914267 138779658 /nfs/dbraw/zinc/77/96/58/138779658.db2.gz KWUXDUGVAPDXPJ-HNNXBMFYSA-N 1 1 345.355 1.865 20 5 EDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072725281 216300611 /nfs/dbraw/zinc/30/06/11/216300611.db2.gz IZKOQLBXKUUMNF-HNNXBMFYSA-N 1 1 334.420 2.000 20 5 EDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C(F)F ZINC000377587042 283787374 /nfs/dbraw/zinc/78/73/74/283787374.db2.gz LNJFSEPJQUNBHL-LBPRGKRZSA-N 1 1 328.319 1.462 20 5 EDBDMO Cn1cc(CNC[C@H]2C[NH2+]CCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415093163 304159242 /nfs/dbraw/zinc/15/92/42/304159242.db2.gz HOQWVAQYFRFTMU-OAHLLOKOSA-N 1 1 331.376 1.073 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1F ZINC000246347862 139105076 /nfs/dbraw/zinc/10/50/76/139105076.db2.gz VRSPYHFKMGQYPA-NSHDSACASA-N 1 1 343.380 1.511 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000247257258 139142742 /nfs/dbraw/zinc/14/27/42/139142742.db2.gz DWUKXPLNGWNKPR-QMTHXVAHSA-N 1 1 331.376 1.883 20 5 EDBDMO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000247257258 139142743 /nfs/dbraw/zinc/14/27/43/139142743.db2.gz DWUKXPLNGWNKPR-QMTHXVAHSA-N 1 1 331.376 1.883 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000247257258 139142744 /nfs/dbraw/zinc/14/27/44/139142744.db2.gz DWUKXPLNGWNKPR-QMTHXVAHSA-N 1 1 331.376 1.883 20 5 EDBDMO O=C(CC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000247461660 139149337 /nfs/dbraw/zinc/14/93/37/139149337.db2.gz UKXNPRCRPKTXRS-HZPDHXFCSA-N 1 1 349.387 1.803 20 5 EDBDMO O=C(CC[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000247461660 139149338 /nfs/dbraw/zinc/14/93/38/139149338.db2.gz UKXNPRCRPKTXRS-HZPDHXFCSA-N 1 1 349.387 1.803 20 5 EDBDMO CCCO[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247531735 139151470 /nfs/dbraw/zinc/15/14/70/139151470.db2.gz OGSBJRJJFZEBQC-CABCVRRESA-N 1 1 326.397 1.433 20 5 EDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000248458299 139164909 /nfs/dbraw/zinc/16/49/09/139164909.db2.gz MWKMAEDCSWITKA-IJEWVQPXSA-N 1 1 338.404 1.817 20 5 EDBDMO C[NH2+][C@@H](C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000261786065 139225824 /nfs/dbraw/zinc/22/58/24/139225824.db2.gz QKSJEPLQCNTSFM-LURJTMIESA-N 1 1 342.204 1.788 20 5 EDBDMO C[C@H]1C[C@H]1C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000488316953 255041935 /nfs/dbraw/zinc/04/19/35/255041935.db2.gz UEBCJXYGDITTQZ-STQMWFEESA-N 1 1 339.417 1.557 20 5 EDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000493216955 255197414 /nfs/dbraw/zinc/19/74/14/255197414.db2.gz IVTTVSVRKOAZRD-WUKHSURWSA-N 1 1 333.388 1.571 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000415788953 304271278 /nfs/dbraw/zinc/27/12/78/304271278.db2.gz RXYDODBPIJWIKX-HNNXBMFYSA-N 1 1 338.339 1.002 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000264106942 139380887 /nfs/dbraw/zinc/38/08/87/139380887.db2.gz IMAJPZFZFMDIQP-LLVKDONJSA-N 1 1 345.421 1.612 20 5 EDBDMO Cn1cc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155009438 224342475 /nfs/dbraw/zinc/34/24/75/224342475.db2.gz GUMQDDRLPGAREY-CYBMUJFWSA-N 1 1 343.387 1.693 20 5 EDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000347363541 533380567 /nfs/dbraw/zinc/38/05/67/533380567.db2.gz RSFCRXXWOMRDCS-QWSHFYNQSA-N 1 1 349.431 1.623 20 5 EDBDMO Cc1ccc(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000184305205 533590209 /nfs/dbraw/zinc/59/02/09/533590209.db2.gz MEXWQIQXPLBCOS-CQSZACIVSA-N 1 1 334.420 1.659 20 5 EDBDMO CCc1nn(C)c(N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1[N+](=O)[O-] ZINC000271304111 140274479 /nfs/dbraw/zinc/27/44/79/140274479.db2.gz RIVJBFAPKNBOAC-UHFFFAOYSA-N 1 1 347.423 1.337 20 5 EDBDMO CCc1nn(C)c(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1[N+](=O)[O-] ZINC000271304111 140274481 /nfs/dbraw/zinc/27/44/81/140274481.db2.gz RIVJBFAPKNBOAC-UHFFFAOYSA-N 1 1 347.423 1.337 20 5 EDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000330568632 140879109 /nfs/dbraw/zinc/87/91/09/140879109.db2.gz BYRCWOLKOIIUIK-RYUDHWBXSA-N 1 1 344.375 1.340 20 5 EDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000330568632 140879112 /nfs/dbraw/zinc/87/91/12/140879112.db2.gz BYRCWOLKOIIUIK-RYUDHWBXSA-N 1 1 344.375 1.340 20 5 EDBDMO Cn1cc([C@H]2CCCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000331400489 141017399 /nfs/dbraw/zinc/01/73/99/141017399.db2.gz DCEIJTINXQDKET-HUUCEWRRSA-N 1 1 334.380 1.113 20 5 EDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000332435129 141181669 /nfs/dbraw/zinc/18/16/69/141181669.db2.gz GMUUPKGKXWMKAD-LBPRGKRZSA-N 1 1 329.360 1.557 20 5 EDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000332435129 141181671 /nfs/dbraw/zinc/18/16/71/141181671.db2.gz GMUUPKGKXWMKAD-LBPRGKRZSA-N 1 1 329.360 1.557 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3ccc(OC)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000339383658 142032579 /nfs/dbraw/zinc/03/25/79/142032579.db2.gz ATQPIIUDNSQDTC-RDJZCZTQSA-N 1 1 335.404 1.898 20 5 EDBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@H+]1C ZINC000344960398 143031307 /nfs/dbraw/zinc/03/13/07/143031307.db2.gz AWUVZVUMAFDEDY-WDEREUQCSA-N 1 1 327.406 1.893 20 5 EDBDMO COCCN1C(=O)N[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000345686102 143121302 /nfs/dbraw/zinc/12/13/02/143121302.db2.gz OAXXRRFWWZBXIH-CVEARBPZSA-N 1 1 348.403 1.252 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345922997 143147586 /nfs/dbraw/zinc/14/75/86/143147586.db2.gz PSYGWBDFDKMEIN-KBPBESRZSA-N 1 1 334.420 1.972 20 5 EDBDMO CNc1c(C(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@H+]2C)cccc1[N+](=O)[O-] ZINC000346700407 143234055 /nfs/dbraw/zinc/23/40/55/143234055.db2.gz PSEXBMJHURUGNB-NWDGAFQWSA-N 1 1 336.392 1.428 20 5 EDBDMO C[C@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000347148813 143287917 /nfs/dbraw/zinc/28/79/17/143287917.db2.gz ARPPAXQSYFSJJB-XHDPSFHLSA-N 1 1 339.367 1.190 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347229100 143297780 /nfs/dbraw/zinc/29/77/80/143297780.db2.gz JZKJYHQELIXBPG-ZDUSSCGKSA-N 1 1 340.355 1.966 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000347836292 143368909 /nfs/dbraw/zinc/36/89/09/143368909.db2.gz RYOMLIMLMANOGL-NSHDSACASA-N 1 1 332.335 1.852 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000354444143 149813915 /nfs/dbraw/zinc/81/39/15/149813915.db2.gz XOIHAJAQGLIEGE-TZMCWYRMSA-N 1 1 337.424 1.821 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3C)[C@@H]2C1 ZINC000355342219 150225688 /nfs/dbraw/zinc/22/56/88/150225688.db2.gz XXYNDOSSMKMVBL-CVEARBPZSA-N 1 1 333.388 1.838 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000357569022 151070590 /nfs/dbraw/zinc/07/05/90/151070590.db2.gz KSSBFKQRBNIQAO-XHDPSFHLSA-N 1 1 337.376 1.635 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000357649862 151101211 /nfs/dbraw/zinc/10/12/11/151101211.db2.gz DGSZBPKFPDWZBV-SNVBAGLBSA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000357649862 151101213 /nfs/dbraw/zinc/10/12/13/151101213.db2.gz DGSZBPKFPDWZBV-SNVBAGLBSA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000358006906 151232862 /nfs/dbraw/zinc/23/28/62/151232862.db2.gz SYRSVSMGWGNTPM-UHFFFAOYSA-N 1 1 345.359 1.704 20 5 EDBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000358041277 151244550 /nfs/dbraw/zinc/24/45/50/151244550.db2.gz JUVDQEXRQBIHRH-LBPRGKRZSA-N 1 1 346.387 1.917 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000370079631 155315158 /nfs/dbraw/zinc/31/51/58/155315158.db2.gz FPENMLCAZSYTFV-WWGRRREGSA-N 1 1 332.404 1.948 20 5 EDBDMO CNc1c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361210817 152336350 /nfs/dbraw/zinc/33/63/50/152336350.db2.gz CYDJQVZJQOKLMY-NWDGAFQWSA-N 1 1 336.392 1.164 20 5 EDBDMO CNc1c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361210817 152336353 /nfs/dbraw/zinc/33/63/53/152336353.db2.gz CYDJQVZJQOKLMY-NWDGAFQWSA-N 1 1 336.392 1.164 20 5 EDBDMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000361377840 152376718 /nfs/dbraw/zinc/37/67/18/152376718.db2.gz KUQJTZNGZSPGRM-LSDHHAIUSA-N 1 1 349.435 1.965 20 5 EDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363560691 153000188 /nfs/dbraw/zinc/00/01/88/153000188.db2.gz RNCNBNXBZPMBOY-RRQGHBQHSA-N 1 1 345.399 1.916 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000363587771 153006398 /nfs/dbraw/zinc/00/63/98/153006398.db2.gz UMKNEFHDZXIFFJ-AWEZNQCLSA-N 1 1 349.435 1.943 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000363587771 153006402 /nfs/dbraw/zinc/00/64/02/153006402.db2.gz UMKNEFHDZXIFFJ-AWEZNQCLSA-N 1 1 349.435 1.943 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000364089687 153141873 /nfs/dbraw/zinc/14/18/73/153141873.db2.gz BIGWJSNXPWNKKY-HOTGVXAUSA-N 1 1 333.388 1.574 20 5 EDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000364959369 153383746 /nfs/dbraw/zinc/38/37/46/153383746.db2.gz ZGCXDCJGKDONTO-MAZHCROVSA-N 1 1 333.388 1.950 20 5 EDBDMO CC1=C(c2ccco2)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000367225349 154048177 /nfs/dbraw/zinc/04/81/77/154048177.db2.gz QXTHOCWNSOXAKH-CQSZACIVSA-N 1 1 332.360 1.925 20 5 EDBDMO O=C(C[NH+]1CCC2(CCO2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000367244449 154052888 /nfs/dbraw/zinc/05/28/88/154052888.db2.gz QGCKKYVPYYGTAO-UHFFFAOYSA-N 1 1 331.372 1.739 20 5 EDBDMO CC(=O)c1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000367442875 154123854 /nfs/dbraw/zinc/12/38/54/154123854.db2.gz MBPLJENUYDSXTB-IRXDYDNUSA-N 1 1 333.388 1.833 20 5 EDBDMO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)nc1 ZINC000367515746 154156313 /nfs/dbraw/zinc/15/63/13/154156313.db2.gz WMFDQKSZWWUJFU-CQSZACIVSA-N 1 1 345.359 1.810 20 5 EDBDMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)nc1 ZINC000367515746 154156316 /nfs/dbraw/zinc/15/63/16/154156316.db2.gz WMFDQKSZWWUJFU-CQSZACIVSA-N 1 1 345.359 1.810 20 5 EDBDMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000367916949 154324202 /nfs/dbraw/zinc/32/42/02/154324202.db2.gz KFIDRAQWPGYTFO-OLZOCXBDSA-N 1 1 333.392 1.892 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])cc1OC 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CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000452100692 305382635 /nfs/dbraw/zinc/38/26/35/305382635.db2.gz FBZZPUVQVZLABO-SNVBAGLBSA-N 1 1 333.435 1.760 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452385045 305396024 /nfs/dbraw/zinc/39/60/24/305396024.db2.gz STIRQWYCMFHUNM-CYBMUJFWSA-N 1 1 339.367 1.239 20 5 EDBDMO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[NH+]1CCOCC1 ZINC000515785200 305727803 /nfs/dbraw/zinc/72/78/03/305727803.db2.gz DPXMBOKEMMGRDY-CYBMUJFWSA-N 1 1 338.408 1.410 20 5 EDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000533561539 306000863 /nfs/dbraw/zinc/00/08/63/306000863.db2.gz KEILPYUHYIGETD-UHFFFAOYSA-N 1 1 338.408 1.364 20 5 EDBDMO COc1ccc(C)cc1C[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000008375357 441090698 /nfs/dbraw/zinc/09/06/98/441090698.db2.gz BAYOENVTRWBTHY-UHFFFAOYSA-N 1 1 345.403 1.968 20 5 EDBDMO COC(=O)c1cc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000047142739 441159556 /nfs/dbraw/zinc/15/95/56/441159556.db2.gz PZJZWZHGZXGFJQ-GFCCVEGCSA-N 1 1 349.387 1.986 20 5 EDBDMO CNC(=O)c1ccc(N2CCC[N@@H+](CCOC)CC2)c([N+](=O)[O-])c1 ZINC000080948102 441210909 /nfs/dbraw/zinc/21/09/09/441210909.db2.gz IXPJXLWVRAJVOY-UHFFFAOYSA-N 1 1 336.392 1.113 20 5 EDBDMO C[N@@H+](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000072721744 441254947 /nfs/dbraw/zinc/25/49/47/441254947.db2.gz JPMUKIAKOSVDIK-UHFFFAOYSA-N 1 1 332.404 1.728 20 5 EDBDMO CCC1(O)CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000072724909 441255325 /nfs/dbraw/zinc/25/53/25/441255325.db2.gz OCGFXFYMZCKBPL-UHFFFAOYSA-N 1 1 333.388 1.721 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1C ZINC000074096549 441392174 /nfs/dbraw/zinc/39/21/74/441392174.db2.gz YIOISROAQUTBIU-BQYQJAHWSA-N 1 1 329.360 1.724 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000026256852 441372084 /nfs/dbraw/zinc/37/20/84/441372084.db2.gz OQCXMILFDXTNBZ-UHFFFAOYSA-N 1 1 347.375 1.798 20 5 EDBDMO CC[NH+]1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000074137555 441398184 /nfs/dbraw/zinc/39/81/84/441398184.db2.gz CXDDJYMJANWSHL-UHFFFAOYSA-N 1 1 334.420 1.742 20 5 EDBDMO Cc1cc(NCC[NH+]2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] ZINC000052433785 441451054 /nfs/dbraw/zinc/45/10/54/441451054.db2.gz IRKBFYAMKUKGKX-UHFFFAOYSA-N 1 1 342.403 1.927 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000053666785 441534852 /nfs/dbraw/zinc/53/48/52/441534852.db2.gz KHTKOLZYAKCMOL-UHFFFAOYSA-N 1 1 328.372 1.923 20 5 EDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000075718606 441551801 /nfs/dbraw/zinc/55/18/01/441551801.db2.gz IBDVSMZCMMSIQU-NWDGAFQWSA-N 1 1 342.421 1.161 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000076158426 441604579 /nfs/dbraw/zinc/60/45/79/441604579.db2.gz SKGAPTPJMGWMEH-OAHLLOKOSA-N 1 1 336.388 1.837 20 5 EDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067190803 441615987 /nfs/dbraw/zinc/61/59/87/441615987.db2.gz NTFYGUFCVXXOKE-NSHDSACASA-N 1 1 347.371 1.580 20 5 EDBDMO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCOCC1 ZINC000076267723 441619360 /nfs/dbraw/zinc/61/93/60/441619360.db2.gz YZNJNNHKBVVOTM-GFCCVEGCSA-N 1 1 338.412 1.516 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000114383181 441652318 /nfs/dbraw/zinc/65/23/18/441652318.db2.gz JIBWFQMHUNNYAR-UHFFFAOYSA-N 1 1 349.435 1.302 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000041423151 441653562 /nfs/dbraw/zinc/65/35/62/441653562.db2.gz NTYVUILATRLPIH-UHFFFAOYSA-N 1 1 325.365 1.302 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121475484 441713187 /nfs/dbraw/zinc/71/31/87/441713187.db2.gz IMECKFZZCWSBJS-CYBMUJFWSA-N 1 1 348.403 1.751 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000115585389 441762609 /nfs/dbraw/zinc/76/26/09/441762609.db2.gz AZUUPLHBKIYJAQ-ZDUSSCGKSA-N 1 1 341.433 1.866 20 5 EDBDMO Cc1nn(CCC(=O)N2CCC[N@H+](C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000068776769 441850407 /nfs/dbraw/zinc/85/04/07/441850407.db2.gz YHRTYJOOBXIGIL-UHFFFAOYSA-N 1 1 337.424 1.741 20 5 EDBDMO CCc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000174275751 441909214 /nfs/dbraw/zinc/90/92/14/441909214.db2.gz ACFHIWQOMKIERD-CYBMUJFWSA-N 1 1 335.404 1.855 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000160778602 441920379 /nfs/dbraw/zinc/92/03/79/441920379.db2.gz DHWZZCPNYKNHLU-OAHLLOKOSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000119163673 441921299 /nfs/dbraw/zinc/92/12/99/441921299.db2.gz SHSXARJDHAEXAH-QMTHXVAHSA-N 1 1 341.795 1.626 20 5 EDBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000119163673 441921307 /nfs/dbraw/zinc/92/13/07/441921307.db2.gz SHSXARJDHAEXAH-QMTHXVAHSA-N 1 1 341.795 1.626 20 5 EDBDMO CC(C)[N@H+]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000069081975 441886176 /nfs/dbraw/zinc/88/61/76/441886176.db2.gz KZTVKDMYKJBTNT-UHFFFAOYSA-N 1 1 346.431 1.900 20 5 EDBDMO C[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000077995577 441894583 /nfs/dbraw/zinc/89/45/83/441894583.db2.gz WFEOQADPGCGRCG-LLVKDONJSA-N 1 1 347.375 1.212 20 5 EDBDMO C[C@@H]1C[C@@H](N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000175100731 442004312 /nfs/dbraw/zinc/00/43/12/442004312.db2.gz MISRNFOVFJBPPN-OCCSQVGLSA-N 1 1 348.403 1.266 20 5 EDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000151095281 442005059 /nfs/dbraw/zinc/00/50/59/442005059.db2.gz ONKLPJLLPMTJMY-QGZVFWFLSA-N 1 1 347.415 1.897 20 5 EDBDMO C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000162084183 442062090 /nfs/dbraw/zinc/06/20/90/442062090.db2.gz VHWDHVHRIWAQGM-GFCCVEGCSA-N 1 1 341.433 1.539 20 5 EDBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000151974787 442149007 /nfs/dbraw/zinc/14/90/07/442149007.db2.gz RTECIRGKACTKEO-UHFFFAOYSA-N 1 1 339.417 1.452 20 5 EDBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)C[S@](C)=O)c([N+](=O)[O-])c1 ZINC000126328280 442100572 /nfs/dbraw/zinc/10/05/72/442100572.db2.gz GCFPBHVZHHBYSB-KPWVOAKYSA-N 1 1 330.406 1.681 20 5 EDBDMO C[C@H](CCNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000126860141 442148814 /nfs/dbraw/zinc/14/88/14/442148814.db2.gz PRJQVAGREPLOHY-GFCCVEGCSA-N 1 1 331.376 1.958 20 5 EDBDMO C[C@H](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000126860141 442148815 /nfs/dbraw/zinc/14/88/15/442148815.db2.gz PRJQVAGREPLOHY-GFCCVEGCSA-N 1 1 331.376 1.958 20 5 EDBDMO C[C@H](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000126860141 442148819 /nfs/dbraw/zinc/14/88/19/442148819.db2.gz PRJQVAGREPLOHY-GFCCVEGCSA-N 1 1 331.376 1.958 20 5 EDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1(O)CCCC1 ZINC000152161908 442173777 /nfs/dbraw/zinc/17/37/77/442173777.db2.gz PBLBXKCQCSBCRP-UHFFFAOYSA-N 1 1 333.388 1.721 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000172023269 442400828 /nfs/dbraw/zinc/40/08/28/442400828.db2.gz CDIPGYDANJTCSP-CYBMUJFWSA-N 1 1 341.433 1.866 20 5 EDBDMO CCCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178858526 442504853 /nfs/dbraw/zinc/50/48/53/442504853.db2.gz CPDRMPFAQILPMY-HOCLYGCPSA-N 1 1 335.404 1.866 20 5 EDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134864320 442529396 /nfs/dbraw/zinc/52/93/96/442529396.db2.gz HOAQPRMSKAINNN-AWEZNQCLSA-N 1 1 341.795 1.777 20 5 EDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)c1[N+](=O)[O-] ZINC000192664385 442674886 /nfs/dbraw/zinc/67/48/86/442674886.db2.gz BQQDCGSKDDUUAI-UHFFFAOYSA-N 1 1 335.408 1.971 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)CC23CCCCC3)c1[N+](=O)[O-] ZINC000192664385 442674887 /nfs/dbraw/zinc/67/48/87/442674887.db2.gz BQQDCGSKDDUUAI-UHFFFAOYSA-N 1 1 335.408 1.971 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)c1[N+](=O)[O-] ZINC000192664385 442674890 /nfs/dbraw/zinc/67/48/90/442674890.db2.gz BQQDCGSKDDUUAI-UHFFFAOYSA-N 1 1 335.408 1.971 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182235040 442748781 /nfs/dbraw/zinc/74/87/81/442748781.db2.gz GZLHREDIFUHEBZ-LLVKDONJSA-N 1 1 335.360 1.737 20 5 EDBDMO C[N@@H+](CCc1nccs1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182245745 442749829 /nfs/dbraw/zinc/74/98/29/442749829.db2.gz OEICIOJMBPVRBQ-LBPRGKRZSA-N 1 1 337.401 1.966 20 5 EDBDMO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181677187 442709364 /nfs/dbraw/zinc/70/93/64/442709364.db2.gz NIMPOFPBISHRDK-UONOGXRCSA-N 1 1 349.435 1.951 20 5 EDBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000193945270 442816335 /nfs/dbraw/zinc/81/63/35/442816335.db2.gz GKHDGAGPHXZLPD-TXEJJXNPSA-N 1 1 337.380 1.563 20 5 EDBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000193945270 442816340 /nfs/dbraw/zinc/81/63/40/442816340.db2.gz GKHDGAGPHXZLPD-TXEJJXNPSA-N 1 1 337.380 1.563 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000268193898 442893828 /nfs/dbraw/zinc/89/38/28/442893828.db2.gz WYHCUOQKUCYXPX-BXUZGUMPSA-N 1 1 339.417 1.664 20 5 EDBDMO CC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2CC)CC[N@H+]1C[C@H](C)O ZINC000248660925 442914365 /nfs/dbraw/zinc/91/43/65/442914365.db2.gz DUKAJBPRSPTCTA-AAEUAGOBSA-N 1 1 325.413 1.401 20 5 EDBDMO O=C(NCC[N@@H+]1CCCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000189402957 442942789 /nfs/dbraw/zinc/94/27/89/442942789.db2.gz CWJXPRGLSIHSKL-UHFFFAOYSA-N 1 1 327.768 1.700 20 5 EDBDMO O=C(NCC[N@H+]1CCCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000189402957 442942794 /nfs/dbraw/zinc/94/27/94/442942794.db2.gz CWJXPRGLSIHSKL-UHFFFAOYSA-N 1 1 327.768 1.700 20 5 EDBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1OC ZINC000265910911 442966539 /nfs/dbraw/zinc/96/65/39/442966539.db2.gz TWDREHHRVAAUEW-CHWSQXEVSA-N 1 1 349.387 1.969 20 5 EDBDMO COCCO[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000249388151 442970785 /nfs/dbraw/zinc/97/07/85/442970785.db2.gz QFNMGUMSXHAPAQ-HOTGVXAUSA-N 1 1 349.387 1.437 20 5 EDBDMO COCCO[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000249388151 442970787 /nfs/dbraw/zinc/97/07/87/442970787.db2.gz QFNMGUMSXHAPAQ-HOTGVXAUSA-N 1 1 349.387 1.437 20 5 EDBDMO CCOc1cccc(NC[C@@](C)(O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000184123718 442994180 /nfs/dbraw/zinc/99/41/80/442994180.db2.gz UZDBWRYCCZMMAF-MRXNPFEDSA-N 1 1 339.392 1.489 20 5 EDBDMO CN(c1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268461160 442996873 /nfs/dbraw/zinc/99/68/73/442996873.db2.gz DXUHBENPFTZUEM-CYBMUJFWSA-N 1 1 328.376 1.678 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1(O)CCOCC1 ZINC000189753332 443003318 /nfs/dbraw/zinc/00/33/18/443003318.db2.gz DBKYHVSFNXKEFE-GFCCVEGCSA-N 1 1 337.376 1.395 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000184915581 443098006 /nfs/dbraw/zinc/09/80/06/443098006.db2.gz YGAQBGAWGCWRFO-CCEZHUSRSA-N 1 1 346.431 1.752 20 5 EDBDMO CN1CC[NH+](CCCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000209254385 443050452 /nfs/dbraw/zinc/05/04/52/443050452.db2.gz BBCFXKUTKASNSJ-SREVYHEPSA-N 1 1 332.404 1.362 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccccc2F)C2CC2)c1 ZINC000266400333 443117242 /nfs/dbraw/zinc/11/72/42/443117242.db2.gz DTZDGQUSOUAWDV-OAHLLOKOSA-N 1 1 334.351 1.956 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000185237016 443167066 /nfs/dbraw/zinc/16/70/66/443167066.db2.gz FBXYCROZYGCPTK-UHFFFAOYSA-N 1 1 331.369 1.449 20 5 EDBDMO C[C@H](O)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C)CO ZINC000190836210 443192269 /nfs/dbraw/zinc/19/22/69/443192269.db2.gz MWMMKVVMDXVHLD-STQMWFEESA-N 1 1 349.387 1.856 20 5 EDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000266697489 443211720 /nfs/dbraw/zinc/21/17/20/443211720.db2.gz XERSMNHAKAAGRR-STQMWFEESA-N 1 1 341.433 1.917 20 5 EDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000185555929 443218895 /nfs/dbraw/zinc/21/88/95/443218895.db2.gz AWBDSWQGOFCONN-XHDPSFHLSA-N 1 1 345.403 1.661 20 5 EDBDMO CCc1[nH]nc(-c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)c1[N+](=O)[O-] ZINC000351260617 319098832 /nfs/dbraw/zinc/09/88/32/319098832.db2.gz DMZHNVZNYGKWQT-SCZZXKLOSA-N 1 1 334.336 1.466 20 5 EDBDMO COC(=O)[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+](C)C1 ZINC000413493492 319270775 /nfs/dbraw/zinc/27/07/75/319270775.db2.gz FRAHGGUIONRIDL-ZDUSSCGKSA-N 1 1 344.371 1.684 20 5 EDBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185861052 443270729 /nfs/dbraw/zinc/27/07/29/443270729.db2.gz WRGQJCWIRZQHCH-ZDUSSCGKSA-N 1 1 341.433 1.947 20 5 EDBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[NH+]3CCN2CC3)cc1OC(F)F ZINC000269445173 443311719 /nfs/dbraw/zinc/31/17/19/443311719.db2.gz CCZSMHITPVZVIC-NSHDSACASA-N 1 1 328.319 1.608 20 5 EDBDMO 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Cc1nc(CC[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000299615881 444096124 /nfs/dbraw/zinc/09/61/24/444096124.db2.gz PDIFFHRBHAVNGJ-CYBMUJFWSA-N 1 1 336.348 1.200 20 5 EDBDMO O=c1nc([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000289397658 444129530 /nfs/dbraw/zinc/12/95/30/444129530.db2.gz KSPXFOGWNGWXQW-JTQLQIEISA-N 1 1 348.319 1.294 20 5 EDBDMO CC(C)N1C(=O)N[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000285866220 444134383 /nfs/dbraw/zinc/13/43/83/444134383.db2.gz HRUVGKVAUZOZIK-CVEARBPZSA-N 1 1 348.403 1.850 20 5 EDBDMO CNC(=O)C[NH+]1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000294782317 444141612 /nfs/dbraw/zinc/14/16/12/444141612.db2.gz AAQIAYGHGDXHEZ-UHFFFAOYSA-N 1 1 343.387 1.765 20 5 EDBDMO Cc1cc(N2CCC(N(C)c3ncc([N+](=O)[O-])cn3)CC2)nc(C)[nH+]1 ZINC000302157815 444206442 /nfs/dbraw/zinc/20/64/42/444206442.db2.gz NPGFFFCBHXXNTQ-UHFFFAOYSA-N 1 1 343.391 1.897 20 5 EDBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302621252 444218304 /nfs/dbraw/zinc/21/83/04/444218304.db2.gz DOMQYJQHBVYXEO-CYBMUJFWSA-N 1 1 347.423 1.323 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295512000 444187538 /nfs/dbraw/zinc/18/75/38/444187538.db2.gz QASFQNVWOZSQFP-HNNXBMFYSA-N 1 1 335.404 1.490 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000296442813 444230337 /nfs/dbraw/zinc/23/03/37/444230337.db2.gz YWJPDLKPBAPWBX-OLMNPRSZSA-N 1 1 348.399 1.978 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000296442813 444230339 /nfs/dbraw/zinc/23/03/39/444230339.db2.gz YWJPDLKPBAPWBX-OLMNPRSZSA-N 1 1 348.399 1.978 20 5 EDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000296550301 444238299 /nfs/dbraw/zinc/23/82/99/444238299.db2.gz YXGJBXCQAGJVOM-LBPRGKRZSA-N 1 1 341.795 1.825 20 5 EDBDMO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319622385 444324957 /nfs/dbraw/zinc/32/49/57/444324957.db2.gz 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COc1c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000331043871 444371545 /nfs/dbraw/zinc/37/15/45/444371545.db2.gz DVORWXBZOLLXAT-VXGBXAGGSA-N 1 1 337.376 1.131 20 5 EDBDMO CS(=O)(=O)c1ccc(NC[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000320058823 444327625 /nfs/dbraw/zinc/32/76/25/444327625.db2.gz UILYXKBAJSCSIM-LLVKDONJSA-N 1 1 339.417 1.895 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000332654422 444524647 /nfs/dbraw/zinc/52/46/47/444524647.db2.gz YYPYKSJRXYYPKD-MNOVXSKESA-N 1 1 335.360 1.579 20 5 EDBDMO CC[C@@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000341026059 444639601 /nfs/dbraw/zinc/63/96/01/444639601.db2.gz ILMZKKKRXOFLNV-BXUZGUMPSA-N 1 1 335.360 1.596 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000341039415 444646929 /nfs/dbraw/zinc/64/69/29/444646929.db2.gz NDBHWHRKQRRTQU-UHFFFAOYSA-N 1 1 332.408 1.833 20 5 EDBDMO CN(CCCNc1ncnc2cccc([N+](=O)[O-])c21)CC[NH+](C)C ZINC000341039415 444646931 /nfs/dbraw/zinc/64/69/31/444646931.db2.gz NDBHWHRKQRRTQU-UHFFFAOYSA-N 1 1 332.408 1.833 20 5 EDBDMO COC[C@H]1C[C@@H](OC)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344368607 444923059 /nfs/dbraw/zinc/92/30/59/444923059.db2.gz NIBOPGQONSJIBE-HUUCEWRRSA-N 1 1 349.387 1.220 20 5 EDBDMO COC[C@H]1C[C@@H](OC)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344368607 444923065 /nfs/dbraw/zinc/92/30/65/444923065.db2.gz NIBOPGQONSJIBE-HUUCEWRRSA-N 1 1 349.387 1.220 20 5 EDBDMO COc1cc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c([N+](=O)[O-])cc1O ZINC000344371560 444925108 /nfs/dbraw/zinc/92/51/08/444925108.db2.gz YZXASSOEPXJNQK-NSHDSACASA-N 1 1 344.389 1.366 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000344432163 444966885 /nfs/dbraw/zinc/96/68/85/444966885.db2.gz SRJQGJGWNDJYAW-AAEUAGOBSA-N 1 1 334.376 1.441 20 5 EDBDMO C[C@@H]1[C@H](C)N(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330631575 445070929 /nfs/dbraw/zinc/07/09/29/445070929.db2.gz 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CCc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC[NH2+]2)cc1 ZINC000355810038 445489936 /nfs/dbraw/zinc/48/99/36/445489936.db2.gz WARORNCWXKTWTA-AWEZNQCLSA-N 1 1 329.360 1.667 20 5 EDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000362818853 445564436 /nfs/dbraw/zinc/56/44/36/445564436.db2.gz WNIBAQAVGOODDD-BZPMIXESSA-N 1 1 333.392 1.200 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000360249200 445655726 /nfs/dbraw/zinc/65/57/26/445655726.db2.gz JCJWWEXCQOEHHN-LBPRGKRZSA-N 1 1 327.406 1.618 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[N@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000360249200 445655729 /nfs/dbraw/zinc/65/57/29/445655729.db2.gz JCJWWEXCQOEHHN-LBPRGKRZSA-N 1 1 327.406 1.618 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000353797515 445761226 /nfs/dbraw/zinc/76/12/26/445761226.db2.gz YCLOVPMQWHGDKU-UHFFFAOYSA-N 1 1 345.359 1.056 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000361575148 445827527 /nfs/dbraw/zinc/82/75/27/445827527.db2.gz AULBHIISZSMEBB-SWLSCSKDSA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000361575148 445827531 /nfs/dbraw/zinc/82/75/31/445827531.db2.gz AULBHIISZSMEBB-SWLSCSKDSA-N 1 1 337.376 1.313 20 5 EDBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000356419765 445781158 /nfs/dbraw/zinc/78/11/58/445781158.db2.gz NJWBNWKVAURNPT-UHFFFAOYSA-N 1 1 335.408 1.586 20 5 EDBDMO COc1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c([N+](=O)[O-])cc1O ZINC000363414619 445794452 /nfs/dbraw/zinc/79/44/52/445794452.db2.gz PMNUEGNZQREDMO-WCQGTBRESA-N 1 1 335.360 1.408 20 5 EDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CCn4cc[nH+]c4C3)n2)n1C ZINC000350280586 445805866 /nfs/dbraw/zinc/80/58/66/445805866.db2.gz YVDMBVVOOKSPBF-SECBINFHSA-N 1 1 329.320 1.613 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(c2[nH+]ccn2C)CC1 ZINC000358914651 445845628 /nfs/dbraw/zinc/84/56/28/445845628.db2.gz KIINLAFMUADFEW-UHFFFAOYSA-N 1 1 333.396 1.934 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000361660579 445866251 /nfs/dbraw/zinc/86/62/51/445866251.db2.gz LCRGLBNSSJTVJZ-YPMHNXCESA-N 1 1 338.360 1.207 20 5 EDBDMO Cc1cc(OCC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000369066612 445908312 /nfs/dbraw/zinc/90/83/12/445908312.db2.gz SGSXAAFZMWEPSP-ZFWWWQNUSA-N 1 1 349.387 1.261 20 5 EDBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000356736044 445978503 /nfs/dbraw/zinc/97/85/03/445978503.db2.gz ACVVXHMLVVUQNP-NEPJUHHUSA-N 1 1 335.408 1.711 20 5 EDBDMO COc1ccc(CNC(=O)c2cc(C[NH+](C)C)on2)cc1[N+](=O)[O-] ZINC000359166394 445993662 /nfs/dbraw/zinc/99/36/62/445993662.db2.gz IGQLWSXSSCOEEK-UHFFFAOYSA-N 1 1 334.332 1.583 20 5 EDBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)cn1 ZINC000369282458 446048181 /nfs/dbraw/zinc/04/81/81/446048181.db2.gz GVXOGNIOZYUDAV-OCCSQVGLSA-N 1 1 334.380 1.150 20 5 EDBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)cn1 ZINC000369282458 446048187 /nfs/dbraw/zinc/04/81/87/446048187.db2.gz GVXOGNIOZYUDAV-OCCSQVGLSA-N 1 1 334.380 1.150 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000583607248 326102938 /nfs/dbraw/zinc/10/29/38/326102938.db2.gz OUOAOZWASIEMKE-BBRMVZONSA-N 1 1 335.404 1.925 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000365190105 446071486 /nfs/dbraw/zinc/07/14/86/446071486.db2.gz AUIRKAXWNROZMK-GFCCVEGCSA-N 1 1 337.376 1.132 20 5 EDBDMO CO[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000359240968 446072553 /nfs/dbraw/zinc/07/25/53/446072553.db2.gz ZFGPAJRIDSOBIT-GHMZBOCLSA-N 1 1 333.348 1.049 20 5 EDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000356861970 446078197 /nfs/dbraw/zinc/07/81/97/446078197.db2.gz VKPKJRAFXATGQA-VXGBXAGGSA-N 1 1 344.375 1.340 20 5 EDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000356861970 446078201 /nfs/dbraw/zinc/07/82/01/446078201.db2.gz VKPKJRAFXATGQA-VXGBXAGGSA-N 1 1 344.375 1.340 20 5 EDBDMO CCC[N@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000369338057 446083432 /nfs/dbraw/zinc/08/34/32/446083432.db2.gz MNWSXLGNAPZFGS-UHFFFAOYSA-N 1 1 349.387 1.924 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366395461 446190627 /nfs/dbraw/zinc/19/06/27/446190627.db2.gz GSICJAUZRGOHJI-CHWSQXEVSA-N 1 1 333.344 1.088 20 5 EDBDMO Nc1ccc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000365552044 446251245 /nfs/dbraw/zinc/25/12/45/446251245.db2.gz MYANNYRXQJCECK-YDHLFZDLSA-N 1 1 330.388 1.733 20 5 EDBDMO O=[N+]([O-])c1cccc(N2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000362238436 446280005 /nfs/dbraw/zinc/28/00/05/446280005.db2.gz MXSAKBUTIMBVKH-HDICACEKSA-N 1 1 346.431 1.580 20 5 EDBDMO O=[N+]([O-])c1cccc(N2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000362238436 446280007 /nfs/dbraw/zinc/28/00/07/446280007.db2.gz MXSAKBUTIMBVKH-HDICACEKSA-N 1 1 346.431 1.580 20 5 EDBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000362238436 446280009 /nfs/dbraw/zinc/28/00/09/446280009.db2.gz MXSAKBUTIMBVKH-HDICACEKSA-N 1 1 346.431 1.580 20 5 EDBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000366709522 446317980 /nfs/dbraw/zinc/31/79/80/446317980.db2.gz KMSPQTZHUWNSKY-HNNXBMFYSA-N 1 1 339.417 1.595 20 5 EDBDMO O=C(CC[N@H+]1CCC[C@]2(CNC(=O)O2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000373674405 446298263 /nfs/dbraw/zinc/29/82/63/446298263.db2.gz PQZCSPMTHLFWRR-INIZCTEOSA-N 1 1 348.359 1.498 20 5 EDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000411409551 446526314 /nfs/dbraw/zinc/52/63/14/446526314.db2.gz QQXRYWOCZRTZLQ-CHWSQXEVSA-N 1 1 348.403 1.783 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000411409551 446526322 /nfs/dbraw/zinc/52/63/22/446526322.db2.gz QQXRYWOCZRTZLQ-CHWSQXEVSA-N 1 1 348.403 1.783 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000411523557 446583032 /nfs/dbraw/zinc/58/30/32/446583032.db2.gz YSKDMMFNZVNNDD-CYBMUJFWSA-N 1 1 348.403 1.703 20 5 EDBDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000411523557 446583039 /nfs/dbraw/zinc/58/30/39/446583039.db2.gz YSKDMMFNZVNNDD-CYBMUJFWSA-N 1 1 348.403 1.703 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000375116963 446591557 /nfs/dbraw/zinc/59/15/57/446591557.db2.gz ZUHSWTNXBWGHIL-UHFFFAOYSA-N 1 1 336.373 1.606 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420764108 446802975 /nfs/dbraw/zinc/80/29/75/446802975.db2.gz JTUWZGLRCCEQHU-SNVBAGLBSA-N 1 1 347.824 1.963 20 5 EDBDMO NC(=O)[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000375514419 446864533 /nfs/dbraw/zinc/86/45/33/446864533.db2.gz XLVLCJOVOLNWJI-VXGBXAGGSA-N 1 1 331.294 1.733 20 5 EDBDMO C[N@H+]1CCN(CCNc2ncc([N+](=O)[O-])s2)[C@H](c2ccccc2)C1 ZINC000375585828 446907208 /nfs/dbraw/zinc/90/72/08/446907208.db2.gz VJCGSQZHXWEOOQ-AWEZNQCLSA-N 1 1 347.444 2.452 20 5 EDBDMO Cn1ccc(N2CC[C@@H]([N@H+](C)CCc3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000375628112 446936334 /nfs/dbraw/zinc/93/63/34/446936334.db2.gz BDEZZFQDDOAWTO-OAHLLOKOSA-N 1 1 343.387 1.608 20 5 EDBDMO Cn1ccc(N2CC[C@@H]([N@@H+](C)CCc3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000375628112 446936340 /nfs/dbraw/zinc/93/63/40/446936340.db2.gz BDEZZFQDDOAWTO-OAHLLOKOSA-N 1 1 343.387 1.608 20 5 EDBDMO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000444665914 447117228 /nfs/dbraw/zinc/11/72/28/447117228.db2.gz VORLLKAOYVDHSI-MRXNPFEDSA-N 1 1 329.360 1.573 20 5 EDBDMO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000444665914 447117235 /nfs/dbraw/zinc/11/72/35/447117235.db2.gz VORLLKAOYVDHSI-MRXNPFEDSA-N 1 1 329.360 1.573 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000425541494 447219714 /nfs/dbraw/zinc/21/97/14/447219714.db2.gz FZYBOAHOTMRARB-NEPJUHHUSA-N 1 1 344.375 1.838 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000425541494 447219718 /nfs/dbraw/zinc/21/97/18/447219718.db2.gz FZYBOAHOTMRARB-NEPJUHHUSA-N 1 1 344.375 1.838 20 5 EDBDMO O=C1[C@H]([N@@H+]2CC[C@H](c3nnc[nH]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000425551650 447228271 /nfs/dbraw/zinc/22/82/71/447228271.db2.gz QPMCRORWKBOCKN-SMDDNHRTSA-N 1 1 342.359 1.308 20 5 EDBDMO O=C1[C@H]([N@H+]2CC[C@H](c3nnc[nH]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000425551650 447228276 /nfs/dbraw/zinc/22/82/76/447228276.db2.gz QPMCRORWKBOCKN-SMDDNHRTSA-N 1 1 342.359 1.308 20 5 EDBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455842800 447240791 /nfs/dbraw/zinc/24/07/91/447240791.db2.gz JZBWQCFDKZLIPR-VXGBXAGGSA-N 1 1 333.392 1.730 20 5 EDBDMO CNc1nc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000455999716 447282064 /nfs/dbraw/zinc/28/20/64/447282064.db2.gz XXVZROFLNQEWAJ-YPMHNXCESA-N 1 1 333.392 1.588 20 5 EDBDMO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000451260461 447717798 /nfs/dbraw/zinc/71/77/98/447717798.db2.gz UODDBISGWCGHMK-FZMZJTMJSA-N 1 1 337.376 1.635 20 5 EDBDMO CC[C@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000451260461 447717800 /nfs/dbraw/zinc/71/78/00/447717800.db2.gz UODDBISGWCGHMK-FZMZJTMJSA-N 1 1 337.376 1.635 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000451269423 447720852 /nfs/dbraw/zinc/72/08/52/447720852.db2.gz SVCLBGBQSSFMFV-JKSUJKDBSA-N 1 1 334.351 1.591 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000451269423 447720859 /nfs/dbraw/zinc/72/08/59/447720859.db2.gz SVCLBGBQSSFMFV-JKSUJKDBSA-N 1 1 334.351 1.591 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC000459686912 447739782 /nfs/dbraw/zinc/73/97/82/447739782.db2.gz VPJKNCKUJDFQOE-DZGCQCFKSA-N 1 1 331.372 1.695 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451877464 447771959 /nfs/dbraw/zinc/77/19/59/447771959.db2.gz ISBVSCHERIZTGR-HIFRSBDPSA-N 1 1 339.417 1.103 20 5 EDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000530491839 447898881 /nfs/dbraw/zinc/89/88/81/447898881.db2.gz CIZZEKFMOKCGGE-VXGBXAGGSA-N 1 1 342.421 1.389 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000591028678 448238662 /nfs/dbraw/zinc/23/86/62/448238662.db2.gz AQGFLFLQGXFBSJ-FZMZJTMJSA-N 1 1 332.360 1.004 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CC[C@H]21 ZINC000532237961 448220038 /nfs/dbraw/zinc/22/00/38/448220038.db2.gz CLYCGBIMQWRUFF-WCQYABFASA-N 1 1 347.371 1.880 20 5 EDBDMO C[NH+](C)C1(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000515055183 448249258 /nfs/dbraw/zinc/24/92/58/448249258.db2.gz TVAZRVJUBHNAKV-CQSZACIVSA-N 1 1 337.420 1.799 20 5 EDBDMO Cc1cc([N+](=O)[O-])cn(C[C@H](O)C[N@H+](C)Cc2ccccc2)c1=O ZINC000591241515 448297158 /nfs/dbraw/zinc/29/71/58/448297158.db2.gz VLJQRANIZQVWJI-MRXNPFEDSA-N 1 1 331.372 1.558 20 5 EDBDMO C[N@H+](C[C@@H](O)CNCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000572150324 448301702 /nfs/dbraw/zinc/30/17/02/448301702.db2.gz UJRDNRZMCLYQBK-AWEZNQCLSA-N 1 1 327.812 1.835 20 5 EDBDMO C[N@@H+](C[C@@H](O)CNCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000572150324 448301704 /nfs/dbraw/zinc/30/17/04/448301704.db2.gz UJRDNRZMCLYQBK-AWEZNQCLSA-N 1 1 327.812 1.835 20 5 EDBDMO O=C(CCN[C@H]1CC[N@H+](CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591735084 448476341 /nfs/dbraw/zinc/47/63/41/448476341.db2.gz QATBGGHGQTZQAL-AWEZNQCLSA-N 1 1 332.404 1.997 20 5 EDBDMO O=C(CCN[C@H]1CC[N@@H+](CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591735084 448476347 /nfs/dbraw/zinc/47/63/47/448476347.db2.gz QATBGGHGQTZQAL-AWEZNQCLSA-N 1 1 332.404 1.997 20 5 EDBDMO O=c1[nH]cnc2cc(NC[C@H]3CCC[N@@H+]3CCCO)c([N+](=O)[O-])cc12 ZINC000516848132 448478842 /nfs/dbraw/zinc/47/88/42/448478842.db2.gz HYBWZFNNMZJIAT-LLVKDONJSA-N 1 1 347.375 1.502 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000573111356 448546152 /nfs/dbraw/zinc/54/61/52/448546152.db2.gz APMVSEQLHDYJRU-NWDGAFQWSA-N 1 1 332.360 1.205 20 5 EDBDMO C[N@@H+]1CC=C(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000538373896 448584369 /nfs/dbraw/zinc/58/43/69/448584369.db2.gz FMVPNTJONLLZCH-UHFFFAOYSA-N 1 1 334.376 1.535 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CSC[C@@H]1C[N@H+](C)CCO1 ZINC000573322853 448599302 /nfs/dbraw/zinc/59/93/02/448599302.db2.gz GMYLPGFOJKVHOR-LBPRGKRZSA-N 1 1 339.417 1.906 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CSC[C@@H]1C[N@@H+](C)CCO1 ZINC000573322853 448599310 /nfs/dbraw/zinc/59/93/10/448599310.db2.gz GMYLPGFOJKVHOR-LBPRGKRZSA-N 1 1 339.417 1.906 20 5 EDBDMO CCc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000592026249 448633967 /nfs/dbraw/zinc/63/39/67/448633967.db2.gz OYCZJCSHSVWGDI-NSHDSACASA-N 1 1 341.433 1.918 20 5 EDBDMO Cc1ccc(C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2CC2)cn1 ZINC000592144905 448706189 /nfs/dbraw/zinc/70/61/89/448706189.db2.gz JZELVXVWFKMYHY-QGZVFWFLSA-N 1 1 345.403 1.768 20 5 EDBDMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000518781644 448710788 /nfs/dbraw/zinc/71/07/88/448710788.db2.gz PMGJATODKTXVPZ-UHFFFAOYSA-N 1 1 346.391 1.317 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000585781909 448764062 /nfs/dbraw/zinc/76/40/62/448764062.db2.gz BSEILVYYEBSHPL-CABCVRRESA-N 1 1 335.360 1.291 20 5 EDBDMO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000568329110 448854862 /nfs/dbraw/zinc/85/48/62/448854862.db2.gz CTOJVNNIEHKFRO-NSHDSACASA-N 1 1 328.394 1.095 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000568329110 448854869 /nfs/dbraw/zinc/85/48/69/448854869.db2.gz CTOJVNNIEHKFRO-NSHDSACASA-N 1 1 328.394 1.095 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000589107778 448969865 /nfs/dbraw/zinc/96/98/65/448969865.db2.gz YWFIRXGDMZJCBR-LLVKDONJSA-N 1 1 342.421 1.386 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](C(=O)OC)C2)c1 ZINC000589495083 449025303 /nfs/dbraw/zinc/02/53/03/449025303.db2.gz XBXVQQVXJYNZFC-LBPRGKRZSA-N 1 1 336.344 1.766 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](C(=O)OC)C2)c1 ZINC000589495083 449025308 /nfs/dbraw/zinc/02/53/08/449025308.db2.gz XBXVQQVXJYNZFC-LBPRGKRZSA-N 1 1 336.344 1.766 20 5 EDBDMO CN(C(=O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595606575 449074734 /nfs/dbraw/zinc/07/47/34/449074734.db2.gz IMTSHNRYEPZWKB-CYBMUJFWSA-N 1 1 344.375 1.171 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000589930185 449084840 /nfs/dbraw/zinc/08/48/40/449084840.db2.gz UBCRTMUSUQNXQY-JOYOIKCWSA-N 1 1 345.808 1.573 20 5 EDBDMO CO[C@@]1(CO)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000595664157 449106311 /nfs/dbraw/zinc/10/63/11/449106311.db2.gz YINZVZNENFZWNX-INIZCTEOSA-N 1 1 348.359 1.618 20 5 EDBDMO CO[C@@]1(CO)CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000595664157 449106313 /nfs/dbraw/zinc/10/63/13/449106313.db2.gz YINZVZNENFZWNX-INIZCTEOSA-N 1 1 348.359 1.618 20 5 EDBDMO C[C@@H]1COC2(CCC2)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595681844 449117180 /nfs/dbraw/zinc/11/71/80/449117180.db2.gz NAJNXRWOVJVHJN-KGLIPLIRSA-N 1 1 336.388 1.978 20 5 EDBDMO C[C@@H]1COC2(CCC2)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595681844 449117186 /nfs/dbraw/zinc/11/71/86/449117186.db2.gz NAJNXRWOVJVHJN-KGLIPLIRSA-N 1 1 336.388 1.978 20 5 EDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000593065955 449120986 /nfs/dbraw/zinc/12/09/86/449120986.db2.gz HLJXGDCXQTYRHA-ZIAGYGMSSA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590282231 449124898 /nfs/dbraw/zinc/12/48/98/449124898.db2.gz ULTIIYWEPMGWTD-RISCZKNCSA-N 1 1 332.360 1.004 20 5 EDBDMO CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597946607 449155492 /nfs/dbraw/zinc/15/54/92/449155492.db2.gz QMBIZAVZETXXOV-CQSZACIVSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@@H]1C ZINC000611087647 449164972 /nfs/dbraw/zinc/16/49/72/449164972.db2.gz BDIAPRXGGSXBIK-NSHDSACASA-N 1 1 335.360 1.532 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@@H]1C ZINC000611087647 449164975 /nfs/dbraw/zinc/16/49/75/449164975.db2.gz BDIAPRXGGSXBIK-NSHDSACASA-N 1 1 335.360 1.532 20 5 EDBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000600064616 449166694 /nfs/dbraw/zinc/16/66/94/449166694.db2.gz SWAOZKIELHMITD-HNNXBMFYSA-N 1 1 346.387 1.666 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@H]12 ZINC000595738364 449140137 /nfs/dbraw/zinc/14/01/37/449140137.db2.gz RECXDVAUYYKSTP-RBSFLKMASA-N 1 1 336.392 1.845 20 5 EDBDMO Cc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590399903 449147306 /nfs/dbraw/zinc/14/73/06/449147306.db2.gz QBWXHJYWRQMMNP-GOEBONIOSA-N 1 1 333.388 1.838 20 5 EDBDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000601878916 449202486 /nfs/dbraw/zinc/20/24/86/449202486.db2.gz CVSIWHKSRNJMCA-HNNXBMFYSA-N 1 1 343.387 1.490 20 5 EDBDMO COc1cc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000595862397 449213878 /nfs/dbraw/zinc/21/38/78/449213878.db2.gz BJLOMNHJMKSKSG-OAHLLOKOSA-N 1 1 335.404 1.634 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000590563907 449191996 /nfs/dbraw/zinc/19/19/96/449191996.db2.gz VSFONUWTLODSQX-GXTWGEPZSA-N 1 1 334.376 1.112 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000590561733 449192121 /nfs/dbraw/zinc/19/21/21/449192121.db2.gz FVFPAMVYPAUXLJ-HUUCEWRRSA-N 1 1 334.376 1.233 20 5 EDBDMO O=C1[C@H]([N@H+]2CC[C@@H]3COC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595829856 449193545 /nfs/dbraw/zinc/19/35/45/449193545.db2.gz IVULKKUWHVCMLJ-XJKCOSOUSA-N 1 1 331.372 1.668 20 5 EDBDMO CNS(=O)(=O)c1ccc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000611256800 449240720 /nfs/dbraw/zinc/24/07/20/449240720.db2.gz GTHSINYBLCOHFW-MNOVXSKESA-N 1 1 342.421 1.032 20 5 EDBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@@H](CO)C1 ZINC000601980425 449261699 /nfs/dbraw/zinc/26/16/99/449261699.db2.gz WHYTWRATNQKWOD-CQSZACIVSA-N 1 1 328.372 1.770 20 5 EDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@@H](CO)C1 ZINC000601980425 449261701 /nfs/dbraw/zinc/26/17/01/449261701.db2.gz WHYTWRATNQKWOD-CQSZACIVSA-N 1 1 328.372 1.770 20 5 EDBDMO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@]1(C)CO ZINC000595875531 449224790 /nfs/dbraw/zinc/22/47/90/449224790.db2.gz QLKSDISMDSDOIZ-VMGRFDJRSA-N 1 1 333.388 1.650 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CCC3)[C@H]2c2ccncc2)c1 ZINC000596040765 449332881 /nfs/dbraw/zinc/33/28/81/449332881.db2.gz YUQUDLOCRMAKEU-HZPDHXFCSA-N 1 1 343.387 1.774 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC3(CCC3)[C@H]2c2ccncc2)c1 ZINC000596040765 449332885 /nfs/dbraw/zinc/33/28/85/449332885.db2.gz YUQUDLOCRMAKEU-HZPDHXFCSA-N 1 1 343.387 1.774 20 5 EDBDMO C[N@H+]1CC[C@@](O)(CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596198849 449409045 /nfs/dbraw/zinc/40/90/45/449409045.db2.gz XIZZBNRRCBOXTQ-GFCCVEGCSA-N 1 1 330.182 1.836 20 5 EDBDMO CC(=O)c1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596540573 449545655 /nfs/dbraw/zinc/54/56/55/449545655.db2.gz URPBQAYQOUTVER-OAHLLOKOSA-N 1 1 333.388 1.833 20 5 EDBDMO C[C@H]1C[N@H+](CCNc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)CO1 ZINC000596427294 449496971 /nfs/dbraw/zinc/49/69/71/449496971.db2.gz FIRWTGGDPNHEEW-RYUDHWBXSA-N 1 1 331.376 2.059 20 5 EDBDMO C[C@H]1C[N@@H+](CCNc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)CO1 ZINC000596427294 449496978 /nfs/dbraw/zinc/49/69/78/449496978.db2.gz FIRWTGGDPNHEEW-RYUDHWBXSA-N 1 1 331.376 2.059 20 5 EDBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600809655 449557503 /nfs/dbraw/zinc/55/75/03/449557503.db2.gz WIFFQHBMBVKFST-YPMHNXCESA-N 1 1 339.417 1.258 20 5 EDBDMO C[N@@H+](CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000600817194 449562307 /nfs/dbraw/zinc/56/23/07/449562307.db2.gz LBDSGZIHJMBBBS-LBPRGKRZSA-N 1 1 333.392 1.487 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594793930 449705365 /nfs/dbraw/zinc/70/53/65/449705365.db2.gz WPJOYXPAIIRIMT-GFCCVEGCSA-N 1 1 341.433 1.994 20 5 EDBDMO Cn1cc(CN2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602656872 449734148 /nfs/dbraw/zinc/73/41/48/449734148.db2.gz ZJJISNFXEBAAIQ-INIZCTEOSA-N 1 1 329.404 1.687 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000601335272 449843675 /nfs/dbraw/zinc/84/36/75/449843675.db2.gz JUMCZMFJKHXKOU-QMMMGPOBSA-N 1 1 333.435 1.726 20 5 EDBDMO C[N@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000599416199 449962677 /nfs/dbraw/zinc/96/26/77/449962677.db2.gz UVFGOXBJGFWDGM-LLVKDONJSA-N 1 1 328.394 1.000 20 5 EDBDMO COc1cc(C[N@H+]2C[C@H](OC)C[C@@]2(C)CO)c([N+](=O)[O-])cc1F ZINC000602963222 449965694 /nfs/dbraw/zinc/96/56/94/449965694.db2.gz CUERZMHCHWMXCB-ABAIWWIYSA-N 1 1 328.340 1.714 20 5 EDBDMO COc1cc(C[N@@H+]2C[C@H](OC)C[C@@]2(C)CO)c([N+](=O)[O-])cc1F ZINC000602963222 449965698 /nfs/dbraw/zinc/96/56/98/449965698.db2.gz CUERZMHCHWMXCB-ABAIWWIYSA-N 1 1 328.340 1.714 20 5 EDBDMO CC1CCN(C(=O)C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC000602965715 449967669 /nfs/dbraw/zinc/96/76/69/449967669.db2.gz MNEZUVAWROLLJV-QGZVFWFLSA-N 1 1 335.404 1.650 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601468913 449992016 /nfs/dbraw/zinc/99/20/16/449992016.db2.gz VYHNDABJHHALBN-LLVKDONJSA-N 1 1 345.396 1.805 20 5 EDBDMO Cc1cc(C(=O)NCCCN2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000609619851 450072051 /nfs/dbraw/zinc/07/20/51/450072051.db2.gz NJYDOGANOJDZQY-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO Cc1cc(C(=O)NCCC[N@H+]2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000609619851 450072059 /nfs/dbraw/zinc/07/20/59/450072059.db2.gz NJYDOGANOJDZQY-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO Cc1cc(C(=O)NCCC[N@@H+]2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000609619851 450072068 /nfs/dbraw/zinc/07/20/68/450072068.db2.gz NJYDOGANOJDZQY-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609559653 450051899 /nfs/dbraw/zinc/05/18/99/450051899.db2.gz MBJAXDVNPISMQE-CYBMUJFWSA-N 1 1 335.408 1.163 20 5 EDBDMO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1[NH+]1CCOCC1 ZINC000603113768 450076588 /nfs/dbraw/zinc/07/65/88/450076588.db2.gz DCTNAVSJNDSNNW-ZIAGYGMSSA-N 1 1 334.376 1.219 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCO[C@@H]3CC3(F)F)C2)nc1 ZINC000595373224 450086510 /nfs/dbraw/zinc/08/65/10/450086510.db2.gz YQBNVXSOAJHACA-ZYHUDNBSSA-N 1 1 328.319 1.900 20 5 EDBDMO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000595381409 450095548 /nfs/dbraw/zinc/09/55/48/450095548.db2.gz KFJAYCFVHVLRTK-UHFFFAOYSA-N 1 1 330.410 1.389 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000610240549 450158265 /nfs/dbraw/zinc/15/82/65/450158265.db2.gz SBZOWWYEBFYPKP-OAHLLOKOSA-N 1 1 346.431 1.755 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599695407 450158830 /nfs/dbraw/zinc/15/88/30/450158830.db2.gz YDEKGVCEQJFGBS-CHWSQXEVSA-N 1 1 341.433 1.917 20 5 EDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000599767475 450205904 /nfs/dbraw/zinc/20/59/04/450205904.db2.gz WZTUUGZNELQUDQ-CYBMUJFWSA-N 1 1 333.392 1.940 20 5 EDBDMO C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000610907206 450377210 /nfs/dbraw/zinc/37/72/10/450377210.db2.gz DQKQTYNFKAWKPL-HZMBPMFUSA-N 1 1 332.360 1.525 20 5 EDBDMO C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610907206 450377215 /nfs/dbraw/zinc/37/72/15/450377215.db2.gz DQKQTYNFKAWKPL-HZMBPMFUSA-N 1 1 332.360 1.525 20 5 EDBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265245153 485932107 /nfs/dbraw/zinc/93/21/07/485932107.db2.gz POWLOVTXCVNHOX-UHFFFAOYSA-N 1 1 349.435 1.679 20 5 EDBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265245153 485932116 /nfs/dbraw/zinc/93/21/16/485932116.db2.gz POWLOVTXCVNHOX-UHFFFAOYSA-N 1 1 349.435 1.679 20 5 EDBDMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000155193423 534442360 /nfs/dbraw/zinc/44/23/60/534442360.db2.gz CVJBAYUIWYZQSQ-TXEJJXNPSA-N 1 1 344.375 1.340 20 5 EDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000155193423 534442370 /nfs/dbraw/zinc/44/23/70/534442370.db2.gz CVJBAYUIWYZQSQ-TXEJJXNPSA-N 1 1 344.375 1.340 20 5 EDBDMO CCC(CC)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000159582482 528821064 /nfs/dbraw/zinc/82/10/64/528821064.db2.gz GRLBRPYVZRFDII-GFCCVEGCSA-N 1 1 339.396 1.185 20 5 EDBDMO CC(C)N1C(=O)N[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000345564612 535140767 /nfs/dbraw/zinc/14/07/67/535140767.db2.gz ZMHAAALVAZTCOF-HOTGVXAUSA-N 1 1 348.403 1.850 20 5 EDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000339787761 536800356 /nfs/dbraw/zinc/80/03/56/536800356.db2.gz PMHLFDZQAWOENW-NEPJUHHUSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000339787761 536800360 /nfs/dbraw/zinc/80/03/60/536800360.db2.gz PMHLFDZQAWOENW-NEPJUHHUSA-N 1 1 337.376 1.777 20 5 EDBDMO CCOc1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000742195235 579439401 /nfs/dbraw/zinc/43/94/01/579439401.db2.gz CGKZKUXGADKVQW-LLVKDONJSA-N 1 1 337.376 1.778 20 5 EDBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000742195235 579439402 /nfs/dbraw/zinc/43/94/02/579439402.db2.gz CGKZKUXGADKVQW-LLVKDONJSA-N 1 1 337.376 1.778 20 5 EDBDMO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732034413 578687918 /nfs/dbraw/zinc/68/79/18/578687918.db2.gz FHZOEDQCOLDNJA-OAHLLOKOSA-N 1 1 343.387 1.640 20 5 EDBDMO CN(Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732187979 578695938 /nfs/dbraw/zinc/69/59/38/578695938.db2.gz CJMZGCHYLNRRHT-ZDUSSCGKSA-N 1 1 332.360 1.629 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)C1 ZINC000734484949 578816178 /nfs/dbraw/zinc/81/61/78/578816178.db2.gz NVHGWRDDMYPPTN-AWEZNQCLSA-N 1 1 344.419 1.459 20 5 EDBDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000760907695 580041137 /nfs/dbraw/zinc/04/11/37/580041137.db2.gz ONBKKWRKCFNVBZ-HIFRSBDPSA-N 1 1 334.376 1.164 20 5 EDBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736292183 578974648 /nfs/dbraw/zinc/97/46/48/578974648.db2.gz IOBMGJIVYABFOU-YPMHNXCESA-N 1 1 343.391 1.838 20 5 EDBDMO CCC[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736481549 578993185 /nfs/dbraw/zinc/99/31/85/578993185.db2.gz WJALNRYMXDMUEH-JTQLQIEISA-N 1 1 332.368 1.314 20 5 EDBDMO Cc1nn(CCC(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000788114213 579214005 /nfs/dbraw/zinc/21/40/05/579214005.db2.gz DNNCIDKQVHRZFC-ZIAGYGMSSA-N 1 1 336.392 1.968 20 5 EDBDMO CNc1ccc(C(=O)OCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000757926057 579973236 /nfs/dbraw/zinc/97/32/36/579973236.db2.gz OUCSZBZKSVDSDN-UHFFFAOYSA-N 1 1 325.390 1.842 20 5 EDBDMO C[N@H+](CC(=O)OCCOc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000772047153 580301655 /nfs/dbraw/zinc/30/16/55/580301655.db2.gz HYGPBPCTQLBGCH-ZDUSSCGKSA-N 1 1 340.401 1.954 20 5 EDBDMO C[N@@H+](CC(=O)OCCOc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000772047153 580301656 /nfs/dbraw/zinc/30/16/56/580301656.db2.gz HYGPBPCTQLBGCH-ZDUSSCGKSA-N 1 1 340.401 1.954 20 5 EDBDMO CCOC(=O)C1(O)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776591098 580422946 /nfs/dbraw/zinc/42/29/46/580422946.db2.gz GNFRAXQFBQTFDE-CQSZACIVSA-N 1 1 338.360 1.018 20 5 EDBDMO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780516243 580525489 /nfs/dbraw/zinc/52/54/89/580525489.db2.gz KYOHOTVUSNTWQK-MRXNPFEDSA-N 1 1 349.387 1.674 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000780864766 580535431 /nfs/dbraw/zinc/53/54/31/580535431.db2.gz GKTMCZVWIMZHHM-GFCCVEGCSA-N 1 1 327.406 1.666 20 5 EDBDMO C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@H+]1C ZINC000782042914 580564881 /nfs/dbraw/zinc/56/48/81/580564881.db2.gz WKDJEXSMMZIOHH-BFQNTYOBSA-N 1 1 346.387 1.639 20 5 EDBDMO C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+]1C ZINC000782042914 580564882 /nfs/dbraw/zinc/56/48/82/580564882.db2.gz WKDJEXSMMZIOHH-BFQNTYOBSA-N 1 1 346.387 1.639 20 5 EDBDMO C[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788594661 580725393 /nfs/dbraw/zinc/72/53/93/580725393.db2.gz OJMAFTYJEWAOJX-GXTWGEPZSA-N 1 1 349.435 1.415 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000891008761 590911369 /nfs/dbraw/zinc/91/13/69/590911369.db2.gz KOGQMNWHMJMCEQ-UHFFFAOYSA-N 1 1 334.376 1.394 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000891008761 590911371 /nfs/dbraw/zinc/91/13/71/590911371.db2.gz KOGQMNWHMJMCEQ-UHFFFAOYSA-N 1 1 334.376 1.394 20 5 EDBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892417680 591019575 /nfs/dbraw/zinc/01/95/75/591019575.db2.gz GFWDTPMKXPSPCM-HZPDHXFCSA-N 1 1 348.403 1.335 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)C1 ZINC000892561021 591072836 /nfs/dbraw/zinc/07/28/36/591072836.db2.gz KYBYWUAYCALQAP-ZDUSSCGKSA-N 1 1 349.391 1.719 20 5 EDBDMO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896561406 591514892 /nfs/dbraw/zinc/51/48/92/591514892.db2.gz AHGNCZWJDXXGJH-QMTHXVAHSA-N 1 1 340.811 1.612 20 5 EDBDMO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896557223 591522166 /nfs/dbraw/zinc/52/21/66/591522166.db2.gz SRGCJICJPCKEEQ-CJNGLKHVSA-N 1 1 334.420 1.278 20 5 EDBDMO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896557223 591522171 /nfs/dbraw/zinc/52/21/71/591522171.db2.gz SRGCJICJPCKEEQ-CJNGLKHVSA-N 1 1 334.420 1.278 20 5 EDBDMO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896557223 591522173 /nfs/dbraw/zinc/52/21/73/591522173.db2.gz SRGCJICJPCKEEQ-CJNGLKHVSA-N 1 1 334.420 1.278 20 5 EDBDMO C[C@H](Nc1c2ccccc2ncc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895245839 591678300 /nfs/dbraw/zinc/67/83/00/591678300.db2.gz IGXJLXPMBMLPQC-BLLLJJGKSA-N 1 1 329.404 1.611 20 5 EDBDMO C[C@H](Nc1c2ccccc2ncc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895245839 591678305 /nfs/dbraw/zinc/67/83/05/591678305.db2.gz IGXJLXPMBMLPQC-BLLLJJGKSA-N 1 1 329.404 1.611 20 5 EDBDMO C[C@H](Nc1c2ccccc2ncc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895245839 591678310 /nfs/dbraw/zinc/67/83/10/591678310.db2.gz IGXJLXPMBMLPQC-BLLLJJGKSA-N 1 1 329.404 1.611 20 5 EDBDMO CCOc1cc(NCC[N@@H+]2CCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC000895253660 591683126 /nfs/dbraw/zinc/68/31/26/591683126.db2.gz ILKWVFLTRBDIKC-UHFFFAOYSA-N 1 1 337.376 1.854 20 5 EDBDMO CCOc1cc(NCC[N@H+]2CCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC000895253660 591683129 /nfs/dbraw/zinc/68/31/29/591683129.db2.gz ILKWVFLTRBDIKC-UHFFFAOYSA-N 1 1 337.376 1.854 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(N[C@H]3CCC[N@H+]4CCSC[C@@H]34)nn21 ZINC000895566309 591807443 /nfs/dbraw/zinc/80/74/43/591807443.db2.gz JAWQEAKTYNVZCZ-QWRGUYRKSA-N 1 1 334.405 1.629 20 5 EDBDMO C[N@@H+](CCO)CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000899737763 591926256 /nfs/dbraw/zinc/92/62/56/591926256.db2.gz PPTAGRFZPKLVNE-UHFFFAOYSA-N 1 1 339.395 1.335 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000903027659 592108374 /nfs/dbraw/zinc/10/83/74/592108374.db2.gz DUDGXJHJDBESPE-ZDUSSCGKSA-N 1 1 329.360 1.950 20 5 EDBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)ccc1Cl ZINC000903215925 592140490 /nfs/dbraw/zinc/14/04/90/592140490.db2.gz QYFLQFRMPSGHDS-JTQLQIEISA-N 1 1 345.808 1.717 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907548164 592702457 /nfs/dbraw/zinc/70/24/57/592702457.db2.gz OEQKOIDWHICTDN-YGRLFVJLSA-N 1 1 343.380 1.306 20 5 EDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906361731 592805042 /nfs/dbraw/zinc/80/50/42/592805042.db2.gz MBPPLYPMJZPEMV-GFCCVEGCSA-N 1 1 349.387 1.828 20 5 EDBDMO C[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906585500 592850540 /nfs/dbraw/zinc/85/05/40/592850540.db2.gz UIVUIQQRGPFBEZ-NSHDSACASA-N 1 1 335.360 1.580 20 5 EDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906623105 592860044 /nfs/dbraw/zinc/86/00/44/592860044.db2.gz WATYTGXDAJQGNY-GFCCVEGCSA-N 1 1 349.387 1.828 20 5 EDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000838140245 593132866 /nfs/dbraw/zinc/13/28/66/593132866.db2.gz FCRNFWIHSSMZHF-ZDUSSCGKSA-N 1 1 345.403 1.793 20 5 EDBDMO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000809841332 593364370 /nfs/dbraw/zinc/36/43/70/593364370.db2.gz FZCCXKBRIHMGTQ-JTQLQIEISA-N 1 1 333.435 1.761 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000809841332 593364373 /nfs/dbraw/zinc/36/43/73/593364373.db2.gz FZCCXKBRIHMGTQ-JTQLQIEISA-N 1 1 333.435 1.761 20 5 EDBDMO COc1ccc(C[NH2+]C2(CO)COC(C)(C)OC2)cc1[N+](=O)[O-] ZINC000812837638 593510608 /nfs/dbraw/zinc/51/06/08/593510608.db2.gz GUAQZCYKONYMBM-UHFFFAOYSA-N 1 1 326.349 1.207 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC000813741563 593552771 /nfs/dbraw/zinc/55/27/71/593552771.db2.gz RFDRTSUAAQKXBX-GXSJLCMTSA-N 1 1 329.353 1.059 20 5 EDBDMO Cc1c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000816952214 593562745 /nfs/dbraw/zinc/56/27/45/593562745.db2.gz FNYFUHZYLYTOIW-RISCZKNCSA-N 1 1 348.359 1.896 20 5 EDBDMO CN(C)c1cc(F)c(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000817493245 593608034 /nfs/dbraw/zinc/60/80/34/593608034.db2.gz CVGIJYWJHOCXPG-LLVKDONJSA-N 1 1 338.383 1.966 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000817526246 593609453 /nfs/dbraw/zinc/60/94/53/593609453.db2.gz ASAIZKPCXDSOOD-KBPBESRZSA-N 1 1 333.388 1.805 20 5 EDBDMO CCn1nc(C)c(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000819379982 593752774 /nfs/dbraw/zinc/75/27/74/593752774.db2.gz LWTWOOLSIWMXQD-CYBMUJFWSA-N 1 1 335.364 1.044 20 5 EDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC(C[NH+]2CCOCC2)C1 ZINC000820249263 593803101 /nfs/dbraw/zinc/80/31/01/593803101.db2.gz LHMIPUNGHDHNHQ-UTCJRWHESA-N 1 1 331.372 1.399 20 5 EDBDMO CC(C)[N@@H+]1C[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000820751998 593880877 /nfs/dbraw/zinc/88/08/77/593880877.db2.gz JOURGSRNQUYGSP-GWCFXTLKSA-N 1 1 331.380 1.916 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821623813 593884490 /nfs/dbraw/zinc/88/44/90/593884490.db2.gz SYPUBDFESSYCIW-STQMWFEESA-N 1 1 343.391 1.695 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927470 593889358 /nfs/dbraw/zinc/88/93/58/593889358.db2.gz YVEVKJQKOHBZAX-GHMZBOCLSA-N 1 1 337.380 1.096 20 5 EDBDMO Cc1ccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000822236303 594016268 /nfs/dbraw/zinc/01/62/68/594016268.db2.gz SXNOYJBBQCYRQB-UHFFFAOYSA-N 1 1 326.320 1.528 20 5 EDBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000823619760 594221926 /nfs/dbraw/zinc/22/19/26/594221926.db2.gz APZOCEREYPFMJY-SECBINFHSA-N 1 1 330.352 1.066 20 5 EDBDMO CC(C)(CCC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)[N+](=O)[O-] ZINC000826982708 594616269 /nfs/dbraw/zinc/61/62/69/594616269.db2.gz ONFDDMVWXHIXAW-KBPBESRZSA-N 1 1 327.425 1.582 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000832297083 594740986 /nfs/dbraw/zinc/74/09/86/594740986.db2.gz CDAWBHBPVJTFPP-RTXFEEFZSA-N 1 1 334.294 1.873 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1Cl ZINC000836685186 594987785 /nfs/dbraw/zinc/98/77/85/594987785.db2.gz KIIYNXUCHQWYQA-NSHDSACASA-N 1 1 340.811 1.532 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1Cl ZINC000836685186 594987788 /nfs/dbraw/zinc/98/77/88/594987788.db2.gz KIIYNXUCHQWYQA-NSHDSACASA-N 1 1 340.811 1.532 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000104687785 595057787 /nfs/dbraw/zinc/05/77/87/595057787.db2.gz UFTDWHKBTCIHAA-CQSZACIVSA-N 1 1 334.420 1.974 20 5 EDBDMO C[C@@H]1[C@H](COC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000845815294 595071846 /nfs/dbraw/zinc/07/18/46/595071846.db2.gz XBTXYZRRQSNKLI-YPMHNXCESA-N 1 1 332.360 1.828 20 5 EDBDMO O=C1CC2(CCCC2)N1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000844704716 595379203 /nfs/dbraw/zinc/37/92/03/595379203.db2.gz OLEIMMGLDJEIQB-UHFFFAOYSA-N 1 1 333.392 1.931 20 5 EDBDMO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848582017 595408652 /nfs/dbraw/zinc/40/86/52/595408652.db2.gz DRRXGGNHMRBHRG-JTQLQIEISA-N 1 1 341.314 1.919 20 5 EDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848582017 595408653 /nfs/dbraw/zinc/40/86/53/595408653.db2.gz DRRXGGNHMRBHRG-JTQLQIEISA-N 1 1 341.314 1.919 20 5 EDBDMO O=C1CC[C@H]2C[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]2N1 ZINC000853556139 595799367 /nfs/dbraw/zinc/79/93/67/595799367.db2.gz XZWBDJKOGLYUPY-JSGCOSHPSA-N 1 1 329.360 1.503 20 5 EDBDMO O=C1CC[C@H]2C[N@@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]2N1 ZINC000853556139 595799371 /nfs/dbraw/zinc/79/93/71/595799371.db2.gz XZWBDJKOGLYUPY-JSGCOSHPSA-N 1 1 329.360 1.503 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853558205 595802878 /nfs/dbraw/zinc/80/28/78/595802878.db2.gz PAHTVROTAIMFGH-RISCZKNCSA-N 1 1 344.375 1.206 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853558205 595802880 /nfs/dbraw/zinc/80/28/80/595802880.db2.gz PAHTVROTAIMFGH-RISCZKNCSA-N 1 1 344.375 1.206 20 5 EDBDMO COC(=O)/C=C\c1ccc(NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000858867583 595909538 /nfs/dbraw/zinc/90/95/38/595909538.db2.gz QANWAUQKOLPVSZ-DXTPNHAXSA-N 1 1 335.360 1.260 20 5 EDBDMO C/C(=C\C(=O)N1CC(C[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000854589183 596129335 /nfs/dbraw/zinc/12/93/35/596129335.db2.gz DEXIEQJEDFGSPH-GXDHUFHOSA-N 1 1 345.399 1.789 20 5 EDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C2 ZINC000854735463 596180934 /nfs/dbraw/zinc/18/09/34/596180934.db2.gz PXVUWRXPXHZEFN-INIZCTEOSA-N 1 1 336.367 1.874 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859962379 596234884 /nfs/dbraw/zinc/23/48/84/596234884.db2.gz QMASUGHZLPEFQG-JGZJWPJOSA-N 1 1 338.339 1.258 20 5 EDBDMO Cc1ccc(CNS(=O)(=O)CC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000867784663 596548108 /nfs/dbraw/zinc/54/81/08/596548108.db2.gz FSWCSFCLHONCBE-UHFFFAOYSA-N 1 1 327.406 1.417 20 5 EDBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Cn2ncc([N+](=O)[O-])n2)CC1 ZINC000863375410 596566675 /nfs/dbraw/zinc/56/66/75/596566675.db2.gz RBIYRBKTSQBSPT-CYBMUJFWSA-N 1 1 344.375 1.092 20 5 EDBDMO CN1CCC[N@@H+](CCCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865485448 596588081 /nfs/dbraw/zinc/58/80/81/596588081.db2.gz RKIAVPZWSNAENA-UHFFFAOYSA-N 1 1 340.399 1.666 20 5 EDBDMO C[N@@H+]1CCCN(CCCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865485448 596588082 /nfs/dbraw/zinc/58/80/82/596588082.db2.gz RKIAVPZWSNAENA-UHFFFAOYSA-N 1 1 340.399 1.666 20 5 EDBDMO C[N@H+]1CCCN(CCCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865485448 596588083 /nfs/dbraw/zinc/58/80/83/596588083.db2.gz RKIAVPZWSNAENA-UHFFFAOYSA-N 1 1 340.399 1.666 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865584613 596618069 /nfs/dbraw/zinc/61/80/69/596618069.db2.gz YEUGGVZPGHASRT-GFCCVEGCSA-N 1 1 325.340 1.113 20 5 EDBDMO C[C@]([NH3+])(C(=O)N1CCC[C@H]2COCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000867966886 596637984 /nfs/dbraw/zinc/63/79/84/596637984.db2.gz VBHIIMNLQGWWBT-YLQAJVPDSA-N 1 1 333.388 1.796 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868310510 596783450 /nfs/dbraw/zinc/78/34/50/596783450.db2.gz UWEFFAXBZZZZGU-UHFFFAOYSA-N 1 1 338.408 1.671 20 5 EDBDMO Cn1c2cc([N+](=O)[O-])c(N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)cc2n(C)c1=O ZINC000866208532 596827561 /nfs/dbraw/zinc/82/75/61/596827561.db2.gz NEMNXIROBDUCPE-RYUDHWBXSA-N 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Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000189386314 442935957 /nfs/dbraw/zinc/93/59/57/442935957.db2.gz UYFWLAIYYWZDED-ZDUSSCGKSA-N 1 1 336.392 1.742 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000189386314 442935962 /nfs/dbraw/zinc/93/59/62/442935962.db2.gz UYFWLAIYYWZDED-ZDUSSCGKSA-N 1 1 336.392 1.742 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183576188 442942604 /nfs/dbraw/zinc/94/26/04/442942604.db2.gz PASDLDXKHFEQIQ-GFCCVEGCSA-N 1 1 337.380 1.468 20 5 EDBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266150463 443035665 /nfs/dbraw/zinc/03/56/65/443035665.db2.gz FNBPHZUVRYNRTP-JTQLQIEISA-N 1 1 331.369 1.449 20 5 EDBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266150463 443035669 /nfs/dbraw/zinc/03/56/69/443035669.db2.gz FNBPHZUVRYNRTP-JTQLQIEISA-N 1 1 331.369 1.449 20 5 EDBDMO COCC[N@@H+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000255034815 443082063 /nfs/dbraw/zinc/08/20/63/443082063.db2.gz HFOLALBMTUAAEM-DANTVBBOSA-N 1 1 333.388 1.787 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000255034815 443082067 /nfs/dbraw/zinc/08/20/67/443082067.db2.gz HFOLALBMTUAAEM-DANTVBBOSA-N 1 1 333.388 1.787 20 5 EDBDMO CCOc1cc(C(=O)NCC(F)(F)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000190315312 443084527 /nfs/dbraw/zinc/08/45/27/443084527.db2.gz LXDSLHNBJBLRRD-UHFFFAOYSA-N 1 1 333.291 1.326 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000266538140 443161512 /nfs/dbraw/zinc/16/15/12/443161512.db2.gz OXVJACBGBGBUQT-NVXWUHKLSA-N 1 1 330.388 1.717 20 5 EDBDMO COC(=O)[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411922863 319214339 /nfs/dbraw/zinc/21/43/39/319214339.db2.gz VJCJHLQGYZEEMI-NSHDSACASA-N 1 1 341.795 1.785 20 5 EDBDMO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000411984873 319217906 /nfs/dbraw/zinc/21/79/06/319217906.db2.gz NVLYLNKNHSTLOC-OAHLLOKOSA-N 1 1 329.404 1.998 20 5 EDBDMO CCN1CC[NH+](C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413078518 319263622 /nfs/dbraw/zinc/26/36/22/319263622.db2.gz NFGAFAXURTZTPH-LBPRGKRZSA-N 1 1 325.388 1.814 20 5 EDBDMO C[C@@]1(C(N)=O)CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185880499 443275602 /nfs/dbraw/zinc/27/56/02/443275602.db2.gz QWNJAMZAVUORTA-BBRMVZONSA-N 1 1 337.376 1.064 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185841554 443267665 /nfs/dbraw/zinc/26/76/65/443267665.db2.gz HUUYEWOGOMRGNX-RISCZKNCSA-N 1 1 327.406 1.556 20 5 EDBDMO COc1ccc(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272447522 443320617 /nfs/dbraw/zinc/32/06/17/443320617.db2.gz MBWSUMJEPNDUCX-UKRRQHHQSA-N 1 1 348.403 1.839 20 5 EDBDMO NC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n[nH]1 ZINC000267059842 443328397 /nfs/dbraw/zinc/32/83/97/443328397.db2.gz SYANPYMGBIBVAM-NSHDSACASA-N 1 1 347.350 1.936 20 5 EDBDMO NC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n[nH]1 ZINC000267059842 443328400 /nfs/dbraw/zinc/32/84/00/443328400.db2.gz SYANPYMGBIBVAM-NSHDSACASA-N 1 1 347.350 1.936 20 5 EDBDMO CCCCC[N@H+](CC(N)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000272479094 443333217 /nfs/dbraw/zinc/33/32/17/443333217.db2.gz AWCBEFGKUOUUMH-CQSZACIVSA-N 1 1 339.392 1.312 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000278520287 443350835 /nfs/dbraw/zinc/35/08/35/443350835.db2.gz PZUKEKDPIWDOMV-LLVKDONJSA-N 1 1 339.417 1.982 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278738462 443420275 /nfs/dbraw/zinc/42/02/75/443420275.db2.gz LOJHJINNYRRHKJ-BETUJISGSA-N 1 1 330.388 1.485 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000283137184 443536090 /nfs/dbraw/zinc/53/60/90/443536090.db2.gz NSMTUJYTBGWZQB-GFCCVEGCSA-N 1 1 339.367 1.803 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000442001845 320105086 /nfs/dbraw/zinc/10/50/86/320105086.db2.gz LPMIHTHTBRMDSD-LBPRGKRZSA-N 1 1 332.360 1.195 20 5 EDBDMO C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443768409 320112979 /nfs/dbraw/zinc/11/29/79/320112979.db2.gz FJWQFWRKLMWNEG-LBPRGKRZSA-N 1 1 327.406 1.451 20 5 EDBDMO Cc1sc(C(=O)N2CCC([N@H+](C)C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000444366879 320127945 /nfs/dbraw/zinc/12/79/45/320127945.db2.gz PYNQKJDFIWNMIN-JTQLQIEISA-N 1 1 341.433 1.882 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC000449472351 320192065 /nfs/dbraw/zinc/19/20/65/320192065.db2.gz PKTZDLGZAPOVKP-RISCZKNCSA-N 1 1 338.360 1.492 20 5 EDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000453978416 320274835 /nfs/dbraw/zinc/27/48/35/320274835.db2.gz PTNBLOTXTLIMAM-CQSZACIVSA-N 1 1 348.403 1.784 20 5 EDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000453978416 320274837 /nfs/dbraw/zinc/27/48/37/320274837.db2.gz PTNBLOTXTLIMAM-CQSZACIVSA-N 1 1 348.403 1.784 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492742567 320384525 /nfs/dbraw/zinc/38/45/25/320384525.db2.gz XJYHKWHKOHFISD-DANTVBBOSA-N 1 1 347.415 1.912 20 5 EDBDMO CN1CCO[C@@H]2CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284956978 443798147 /nfs/dbraw/zinc/79/81/47/443798147.db2.gz XEBZTTAQRTXZND-DLBZAZTESA-N 1 1 335.404 1.769 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000298455124 443773174 /nfs/dbraw/zinc/77/31/74/443773174.db2.gz RHEBSWVMXODOKI-XHDPSFHLSA-N 1 1 337.376 1.777 20 5 EDBDMO COC(=O)[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000298703546 443844146 /nfs/dbraw/zinc/84/41/46/443844146.db2.gz FOUVLSRWJZZETR-NSHDSACASA-N 1 1 332.316 1.640 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000298703546 443844150 /nfs/dbraw/zinc/84/41/50/443844150.db2.gz FOUVLSRWJZZETR-NSHDSACASA-N 1 1 332.316 1.640 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292891704 443871069 /nfs/dbraw/zinc/87/10/69/443871069.db2.gz ZAWQNMCQEZYAEU-CQSZACIVSA-N 1 1 327.406 1.369 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292891704 443871072 /nfs/dbraw/zinc/87/10/72/443871072.db2.gz ZAWQNMCQEZYAEU-CQSZACIVSA-N 1 1 327.406 1.369 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285310891 443937281 /nfs/dbraw/zinc/93/72/81/443937281.db2.gz QMFNQTBZPCUTGK-BUWFCSEKSA-N 1 1 331.372 1.540 20 5 EDBDMO C[C@@H](NC(=O)NCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000298940373 443908350 /nfs/dbraw/zinc/90/83/50/443908350.db2.gz GZZDXMXDKBWATL-CYBMUJFWSA-N 1 1 336.392 1.677 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293084607 443921089 /nfs/dbraw/zinc/92/10/89/443921089.db2.gz JYMLSKAXYAYSKK-OAHLLOKOSA-N 1 1 346.431 1.837 20 5 EDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCn1cc([N+](=O)[O-])ccc1=O ZINC000285428359 443981143 /nfs/dbraw/zinc/98/11/43/443981143.db2.gz WJSBJLDBKQRONI-UHFFFAOYSA-N 1 1 346.343 1.839 20 5 EDBDMO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000285444022 443986672 /nfs/dbraw/zinc/98/66/72/443986672.db2.gz IKHQXJZZFLXAGL-GFCCVEGCSA-N 1 1 325.369 1.344 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000299363242 444027929 /nfs/dbraw/zinc/02/79/29/444027929.db2.gz DGEBUIOGPDLGSH-UHFFFAOYSA-N 1 1 331.369 1.498 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1nccn1C(F)F ZINC000566108849 321215626 /nfs/dbraw/zinc/21/56/26/321215626.db2.gz GHECPUBAAFFPGW-SNVBAGLBSA-N 1 1 342.302 1.716 20 5 EDBDMO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000566765356 321233264 /nfs/dbraw/zinc/23/32/64/321233264.db2.gz RWNFWNYFLMPJLX-OAHLLOKOSA-N 1 1 340.376 1.679 20 5 EDBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000566765356 321233266 /nfs/dbraw/zinc/23/32/66/321233266.db2.gz RWNFWNYFLMPJLX-OAHLLOKOSA-N 1 1 340.376 1.679 20 5 EDBDMO Cc1cc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c[nH+]1 ZINC000568660722 321301027 /nfs/dbraw/zinc/30/10/27/321301027.db2.gz ZOXXXLYJUNSENO-UHFFFAOYSA-N 1 1 342.355 1.787 20 5 EDBDMO CC(C)Oc1nc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000568781994 321306840 /nfs/dbraw/zinc/30/68/40/321306840.db2.gz DGSYWNJFBLOXIM-OLZOCXBDSA-N 1 1 338.408 1.668 20 5 EDBDMO COC(=O)[C@@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000568970621 321312547 /nfs/dbraw/zinc/31/25/47/321312547.db2.gz PLAYAILQZOWDOF-JSGCOSHPSA-N 1 1 349.387 1.262 20 5 EDBDMO COCC[NH+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278160516 444110432 /nfs/dbraw/zinc/11/04/32/444110432.db2.gz BYNRLIDVRRBMCI-UHFFFAOYSA-N 1 1 334.298 1.777 20 5 EDBDMO O=C(CCC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000294684956 444136374 /nfs/dbraw/zinc/13/63/74/444136374.db2.gz SCJHJBSXYKHCRW-HNNXBMFYSA-N 1 1 331.372 1.864 20 5 EDBDMO CC(C)[N@@H+]1CC[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301897054 444195838 /nfs/dbraw/zinc/19/58/38/444195838.db2.gz QVHUZLSYDQQDPB-LLVKDONJSA-N 1 1 327.406 1.893 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301897054 444195840 /nfs/dbraw/zinc/19/58/40/444195840.db2.gz QVHUZLSYDQQDPB-LLVKDONJSA-N 1 1 327.406 1.893 20 5 EDBDMO Cn1cc(C[N@H+]2CCCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)cn1 ZINC000302041470 444201651 /nfs/dbraw/zinc/20/16/51/444201651.db2.gz NTJVKQGEGOGHNE-UHFFFAOYSA-N 1 1 345.403 1.533 20 5 EDBDMO O=C(NCC[NH+]1CCC(O)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000296847737 444258957 /nfs/dbraw/zinc/25/89/57/444258957.db2.gz HHZOKUGQVQOADW-UHFFFAOYSA-N 1 1 343.330 1.260 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(CN3CCOCC3)CC2)c1 ZINC000305165530 444262438 /nfs/dbraw/zinc/26/24/38/444262438.db2.gz HJHHHZDSDTZUMC-SFHVURJKSA-N 1 1 349.431 1.672 20 5 EDBDMO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc(N2CCCC2)[nH+]1 ZINC000290619522 444302210 /nfs/dbraw/zinc/30/22/10/444302210.db2.gz TZFRAWVDZZFLSJ-UHFFFAOYSA-N 1 1 330.348 1.552 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1CO ZINC000297766414 444331068 /nfs/dbraw/zinc/33/10/68/444331068.db2.gz FVRBPOAYYDZCEV-ZDUSSCGKSA-N 1 1 337.376 1.779 20 5 EDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000298050690 444397959 /nfs/dbraw/zinc/39/79/59/444397959.db2.gz IQRGYQIMJQKRLA-MRXNPFEDSA-N 1 1 346.362 1.985 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000340736782 444493877 /nfs/dbraw/zinc/49/38/77/444493877.db2.gz JEPZQZQMUWWIQY-UONOGXRCSA-N 1 1 349.431 1.786 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000340736782 444493878 /nfs/dbraw/zinc/49/38/78/444493878.db2.gz JEPZQZQMUWWIQY-UONOGXRCSA-N 1 1 349.431 1.786 20 5 EDBDMO COC[C@@H](C)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580549044 322065415 /nfs/dbraw/zinc/06/54/15/322065415.db2.gz JWAKZYJLRIOCSN-LBPRGKRZSA-N 1 1 345.421 1.087 20 5 EDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000332469749 444516534 /nfs/dbraw/zinc/51/65/34/444516534.db2.gz UGJGQZUPTCBZQK-CYBMUJFWSA-N 1 1 332.404 1.971 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000332469749 444516537 /nfs/dbraw/zinc/51/65/37/444516537.db2.gz UGJGQZUPTCBZQK-CYBMUJFWSA-N 1 1 332.404 1.971 20 5 EDBDMO CCOCC[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000343779047 444586197 /nfs/dbraw/zinc/58/61/97/444586197.db2.gz ZXOGITGRIRUDFF-LBPRGKRZSA-N 1 1 339.367 1.917 20 5 EDBDMO CCOCC[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000343779047 444586198 /nfs/dbraw/zinc/58/61/98/444586198.db2.gz ZXOGITGRIRUDFF-LBPRGKRZSA-N 1 1 339.367 1.917 20 5 EDBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000341046533 444651837 /nfs/dbraw/zinc/65/18/37/444651837.db2.gz MIKKSNOUOMQQBR-NHYWBVRUSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000341316303 444776298 /nfs/dbraw/zinc/77/62/98/444776298.db2.gz JBOQJENZCSFBFL-BLLLJJGKSA-N 1 1 332.404 1.919 20 5 EDBDMO C[C@@H]1C[C@H](CO)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344160079 444813831 /nfs/dbraw/zinc/81/38/31/444813831.db2.gz XFYWCVCXJYQFPO-CHWSQXEVSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H]1C[C@H](CO)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344160079 444813834 /nfs/dbraw/zinc/81/38/34/444813834.db2.gz XFYWCVCXJYQFPO-CHWSQXEVSA-N 1 1 333.388 1.577 20 5 EDBDMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000344441008 444973643 /nfs/dbraw/zinc/97/36/43/444973643.db2.gz PMTLACSAQFCHMP-MRXNPFEDSA-N 1 1 349.435 1.221 20 5 EDBDMO C[C@H]1[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCC[N@H+]1C ZINC000343425563 445220375 /nfs/dbraw/zinc/22/03/75/445220375.db2.gz DWSMOGSXOKQGST-SMDDNHRTSA-N 1 1 344.375 1.388 20 5 EDBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCC[N@H+]1C ZINC000343488952 445232915 /nfs/dbraw/zinc/23/29/15/445232915.db2.gz ZMMAHJLRSTWWQU-ONGXEEELSA-N 1 1 328.394 1.137 20 5 EDBDMO C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000354499650 445265168 /nfs/dbraw/zinc/26/51/68/445265168.db2.gz RPVPRWXKHBMSHP-GFCCVEGCSA-N 1 1 327.406 1.451 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1C[C@@H](F)CN1c1ccncn1 ZINC000348183654 445308665 /nfs/dbraw/zinc/30/86/65/445308665.db2.gz SXWGWRXBPQSHLB-CHWSQXEVSA-N 1 1 349.370 1.130 20 5 EDBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351730274 445297183 /nfs/dbraw/zinc/29/71/83/445297183.db2.gz KRMCGPRMOOPPSR-LBPRGKRZSA-N 1 1 335.408 1.812 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](O)CC2)cc1[N+](=O)[O-] ZINC000354747176 445363023 /nfs/dbraw/zinc/36/30/23/445363023.db2.gz NGVZECLWJARCEY-CYBMUJFWSA-N 1 1 338.360 1.493 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CCn3ccnc3C2)cccc1[N+](=O)[O-] ZINC000357037184 445387547 /nfs/dbraw/zinc/38/75/47/445387547.db2.gz JELFIBIMXBRLPJ-UHFFFAOYSA-N 1 1 329.360 1.944 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCn3ccnc3C2)cccc1[N+](=O)[O-] ZINC000357037184 445387552 /nfs/dbraw/zinc/38/75/52/445387552.db2.gz JELFIBIMXBRLPJ-UHFFFAOYSA-N 1 1 329.360 1.944 20 5 EDBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C(C)C ZINC000357238191 445499850 /nfs/dbraw/zinc/49/98/50/445499850.db2.gz MPGYXYQDMIMQRY-UHFFFAOYSA-N 1 1 330.410 1.384 20 5 EDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000362818855 445564393 /nfs/dbraw/zinc/56/43/93/445564393.db2.gz WNIBAQAVGOODDD-MBNYWOFBSA-N 1 1 333.392 1.200 20 5 EDBDMO Cc1ccnc(NC2CC[NH+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000363219815 445728138 /nfs/dbraw/zinc/72/81/38/445728138.db2.gz WEPTWNXRNYZZFV-UHFFFAOYSA-N 1 1 347.419 1.797 20 5 EDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(C(N)=O)no1 ZINC000350461857 445833291 /nfs/dbraw/zinc/83/32/91/445833291.db2.gz OFUHFCUBHNFLSP-VIFPVBQESA-N 1 1 347.331 1.189 20 5 EDBDMO O=[N+]([O-])c1ccc(Cc2noc([C@H]3CCn4cc[nH+]c4C3)n2)nc1 ZINC000350159440 445782983 /nfs/dbraw/zinc/78/29/83/445782983.db2.gz KDUQPKUTIIOCGU-JTQLQIEISA-N 1 1 326.316 1.890 20 5 EDBDMO COc1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000363414085 445794013 /nfs/dbraw/zinc/79/40/13/445794013.db2.gz JYECDZTVLGXQFI-CYZMBNFOSA-N 1 1 349.387 1.711 20 5 EDBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356453688 445799190 /nfs/dbraw/zinc/79/91/90/445799190.db2.gz HNVRHIUSCWAIEO-UHFFFAOYSA-N 1 1 343.387 1.595 20 5 EDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000354006237 445851143 /nfs/dbraw/zinc/85/11/43/445851143.db2.gz LIAJZEPKIUUDOH-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000372936607 445931104 /nfs/dbraw/zinc/93/11/04/445931104.db2.gz XJFQSCYHSCSUOV-CVEARBPZSA-N 1 1 333.388 1.574 20 5 EDBDMO NC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000372883076 445902341 /nfs/dbraw/zinc/90/23/41/445902341.db2.gz QRWFVYWODNAAGR-UHFFFAOYSA-N 1 1 346.309 1.611 20 5 EDBDMO NC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000372883076 445902346 /nfs/dbraw/zinc/90/23/46/445902346.db2.gz QRWFVYWODNAAGR-UHFFFAOYSA-N 1 1 346.309 1.611 20 5 EDBDMO O=C1[C@H]([N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000361754380 445918112 /nfs/dbraw/zinc/91/81/12/445918112.db2.gz GATFNLVMBIRMDW-RIRPEUGRSA-N 1 1 345.399 1.793 20 5 EDBDMO Cc1ccncc1C1=CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000372923182 445923347 /nfs/dbraw/zinc/92/33/47/445923347.db2.gz CSESACHRVOGPNO-MRXNPFEDSA-N 1 1 343.387 1.645 20 5 EDBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000356736052 445978434 /nfs/dbraw/zinc/97/84/34/445978434.db2.gz ACVVXHMLVVUQNP-VXGBXAGGSA-N 1 1 335.408 1.711 20 5 EDBDMO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356805833 446038244 /nfs/dbraw/zinc/03/82/44/446038244.db2.gz RUQLLZYVQWTARR-UHFFFAOYSA-N 1 1 344.371 1.899 20 5 EDBDMO COC(=O)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000359223396 446053441 /nfs/dbraw/zinc/05/34/41/446053441.db2.gz ICQIHEODZRGMLO-LBPRGKRZSA-N 1 1 345.359 1.791 20 5 EDBDMO COC(=O)c1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000359223396 446053447 /nfs/dbraw/zinc/05/34/47/446053447.db2.gz ICQIHEODZRGMLO-LBPRGKRZSA-N 1 1 345.359 1.791 20 5 EDBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NCc1ccccc1 ZINC000373238966 446115986 /nfs/dbraw/zinc/11/59/86/446115986.db2.gz AZBZILAXJWHCAX-UHFFFAOYSA-N 1 1 343.387 1.745 20 5 EDBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000354418064 446191669 /nfs/dbraw/zinc/19/16/69/446191669.db2.gz CRMHJYHAZOFHOG-LBPRGKRZSA-N 1 1 328.390 1.340 20 5 EDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000354418064 446191674 /nfs/dbraw/zinc/19/16/74/446191674.db2.gz CRMHJYHAZOFHOG-LBPRGKRZSA-N 1 1 328.390 1.340 20 5 EDBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000354422945 446194090 /nfs/dbraw/zinc/19/40/90/446194090.db2.gz AIMFYDMVAGMJCA-GFCCVEGCSA-N 1 1 328.390 1.340 20 5 EDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000354422945 446194096 /nfs/dbraw/zinc/19/40/96/446194096.db2.gz AIMFYDMVAGMJCA-GFCCVEGCSA-N 1 1 328.390 1.340 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000373740103 446319574 /nfs/dbraw/zinc/31/95/74/446319574.db2.gz DTHCETJSPYEZJC-LBPRGKRZSA-N 1 1 334.376 1.625 20 5 EDBDMO C[C@H](CO)[N@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000373740102 446319958 /nfs/dbraw/zinc/31/99/58/446319958.db2.gz DTHCETJSPYEZJC-GFCCVEGCSA-N 1 1 334.376 1.625 20 5 EDBDMO COc1cc(C[NH+]2CCC(OCCO)CC2)c([N+](=O)[O-])cc1F ZINC000362327217 446321411 /nfs/dbraw/zinc/32/14/11/446321411.db2.gz PYPSQZVKIQWIGW-UHFFFAOYSA-N 1 1 328.340 1.716 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000374831164 446410570 /nfs/dbraw/zinc/41/05/70/446410570.db2.gz WXTOVCFWYLSIED-GXTWGEPZSA-N 1 1 349.387 1.587 20 5 EDBDMO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000432496403 446475470 /nfs/dbraw/zinc/47/54/70/446475470.db2.gz VPMSCXNSJXDKSP-GFCCVEGCSA-N 1 1 336.392 1.056 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+]2CCOCC23CC3)c([N+](=O)[O-])c1 ZINC000411687678 446647354 /nfs/dbraw/zinc/64/73/54/446647354.db2.gz AQYWHSQRQNNWKP-UHFFFAOYSA-N 1 1 335.360 1.797 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CCOCC23CC3)c([N+](=O)[O-])c1 ZINC000411687678 446647365 /nfs/dbraw/zinc/64/73/65/446647365.db2.gz AQYWHSQRQNNWKP-UHFFFAOYSA-N 1 1 335.360 1.797 20 5 EDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000411908665 446719608 /nfs/dbraw/zinc/71/96/08/446719608.db2.gz ILULCIKZJOXTSE-GJZGRUSLSA-N 1 1 347.371 1.874 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000412068607 446829644 /nfs/dbraw/zinc/82/96/44/446829644.db2.gz FEVTYHDKARXHNS-WFASDCNBSA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000412068607 446829645 /nfs/dbraw/zinc/82/96/45/446829645.db2.gz FEVTYHDKARXHNS-WFASDCNBSA-N 1 1 337.376 1.313 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412091173 446852728 /nfs/dbraw/zinc/85/27/28/446852728.db2.gz QNKQUTUOJZMVAL-RYUDHWBXSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412091173 446852730 /nfs/dbraw/zinc/85/27/30/446852730.db2.gz QNKQUTUOJZMVAL-RYUDHWBXSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000412098978 446859302 /nfs/dbraw/zinc/85/93/02/446859302.db2.gz VXEWEYASKLWDBZ-TZMCWYRMSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000412098978 446859306 /nfs/dbraw/zinc/85/93/06/446859306.db2.gz VXEWEYASKLWDBZ-TZMCWYRMSA-N 1 1 333.388 1.577 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@H]21 ZINC000371507038 446901773 /nfs/dbraw/zinc/90/17/73/446901773.db2.gz XHLUHYXDUPFYAF-NXEZZACHSA-N 1 1 331.419 1.371 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@H]21 ZINC000371507038 446901775 /nfs/dbraw/zinc/90/17/75/446901775.db2.gz XHLUHYXDUPFYAF-NXEZZACHSA-N 1 1 331.419 1.371 20 5 EDBDMO COCCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979790 446953170 /nfs/dbraw/zinc/95/31/70/446953170.db2.gz ZYBPOPZCUOPTPD-UHFFFAOYSA-N 1 1 345.421 1.232 20 5 EDBDMO Cc1c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000421294338 447108004 /nfs/dbraw/zinc/10/80/04/447108004.db2.gz GLXQVLSMOLCKFE-LBPRGKRZSA-N 1 1 334.376 1.394 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421297261 447111450 /nfs/dbraw/zinc/11/14/50/447111450.db2.gz LDSYXCATHDRSJI-AWEZNQCLSA-N 1 1 348.403 1.648 20 5 EDBDMO CCc1nn(C)c(N2CC[NH+](C(C)(C)COC)CC2)c1[N+](=O)[O-] ZINC000425277702 447093190 /nfs/dbraw/zinc/09/31/90/447093190.db2.gz IRUMSESTAPGGGN-UHFFFAOYSA-N 1 1 325.413 1.438 20 5 EDBDMO CC1(C)C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1O ZINC000446060127 447222679 /nfs/dbraw/zinc/22/26/79/447222679.db2.gz LRHFYISDGIMLQJ-OAHLLOKOSA-N 1 1 349.387 1.986 20 5 EDBDMO CNc1nc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000456025210 447286606 /nfs/dbraw/zinc/28/66/06/447286606.db2.gz CEQVLNSXEXCCAO-INIZCTEOSA-N 1 1 333.392 1.589 20 5 EDBDMO O=C1NC[C@@H]2C[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC[C@H]12 ZINC000377683928 447292642 /nfs/dbraw/zinc/29/26/42/447292642.db2.gz VKWSIAMXSAUBJX-YPMHNXCESA-N 1 1 343.343 1.213 20 5 EDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC[C@H]12 ZINC000377683928 447292645 /nfs/dbraw/zinc/29/26/45/447292645.db2.gz VKWSIAMXSAUBJX-YPMHNXCESA-N 1 1 343.343 1.213 20 5 EDBDMO COC(=O)[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000414394422 447295852 /nfs/dbraw/zinc/29/58/52/447295852.db2.gz BFJPVVZKXUKUQU-NSHDSACASA-N 1 1 336.348 1.163 20 5 EDBDMO NC(=O)c1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446840009 447258664 /nfs/dbraw/zinc/25/86/64/447258664.db2.gz WNCMOSAGWSAHQD-UHFFFAOYSA-N 1 1 325.328 1.860 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000421866074 447264887 /nfs/dbraw/zinc/26/48/87/447264887.db2.gz DEYNFCUJHOQYKV-AWEZNQCLSA-N 1 1 335.404 1.740 20 5 EDBDMO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017506 447267327 /nfs/dbraw/zinc/26/73/27/447267327.db2.gz OXBLXAWTSCYDTL-LBPRGKRZSA-N 1 1 339.396 1.953 20 5 EDBDMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017506 447267331 /nfs/dbraw/zinc/26/73/31/447267331.db2.gz OXBLXAWTSCYDTL-LBPRGKRZSA-N 1 1 339.396 1.953 20 5 EDBDMO Cc1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(N)c([N+](=O)[O-])c1 ZINC000369020708 447268635 /nfs/dbraw/zinc/26/86/35/447268635.db2.gz ANZDQNPNRGSWQT-NWDGAFQWSA-N 1 1 334.376 1.078 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[N@H+](C)CCN(C)C ZINC000421906031 447273903 /nfs/dbraw/zinc/27/39/03/447273903.db2.gz KLMLDPWPCPQVAS-UHFFFAOYSA-N 1 1 336.436 1.825 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCN(C)CC[NH+](C)C ZINC000421906031 447273909 /nfs/dbraw/zinc/27/39/09/447273909.db2.gz KLMLDPWPCPQVAS-UHFFFAOYSA-N 1 1 336.436 1.825 20 5 EDBDMO CC[N@@H+](CCNC(=O)c1c([N+](=O)[O-])cnn1C)CCC(F)(F)F ZINC000427292487 447575706 /nfs/dbraw/zinc/57/57/06/447575706.db2.gz QSLPVTZJSMZKGJ-UHFFFAOYSA-N 1 1 337.302 1.332 20 5 EDBDMO O=[N+]([O-])c1cccc2ncnc(NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)c21 ZINC000450787348 447576772 /nfs/dbraw/zinc/57/67/72/447576772.db2.gz FMQKPNDPQCEEMF-TXEJJXNPSA-N 1 1 329.360 1.813 20 5 EDBDMO COCC[N@H+](C)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416476000 447617312 /nfs/dbraw/zinc/61/73/12/447617312.db2.gz WJNNJTHGPKMGMD-UHFFFAOYSA-N 1 1 345.421 1.068 20 5 EDBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416476000 447617315 /nfs/dbraw/zinc/61/73/15/447617315.db2.gz WJNNJTHGPKMGMD-UHFFFAOYSA-N 1 1 345.421 1.068 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000451900007 447777390 /nfs/dbraw/zinc/77/73/90/447777390.db2.gz JOOCYQNFHPPSFH-DOTOQJQBSA-N 1 1 336.388 1.837 20 5 EDBDMO CC(C)[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000487964618 447839391 /nfs/dbraw/zinc/83/93/91/447839391.db2.gz PTVFERDRNWMNDJ-INIZCTEOSA-N 1 1 334.420 1.830 20 5 EDBDMO CCC1CCC([N@@H+](CCO)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000488231142 447844053 /nfs/dbraw/zinc/84/40/53/447844053.db2.gz JSBVWKHVKARWHD-XUJLQICISA-N 1 1 340.424 1.415 20 5 EDBDMO COc1ccc(CC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000523741092 447905978 /nfs/dbraw/zinc/90/59/78/447905978.db2.gz XJTJAOLNBDAQRN-AWEZNQCLSA-N 1 1 335.404 1.946 20 5 EDBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000576924291 448170731 /nfs/dbraw/zinc/17/07/31/448170731.db2.gz RANCWNVHBRMHJS-LBPRGKRZSA-N 1 1 346.391 1.875 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)CNC2CC[NH+](CC3CC3)CC2)c1 ZINC000577500705 448314702 /nfs/dbraw/zinc/31/47/02/448314702.db2.gz OBERXOOGXYKJOE-KRWDZBQOSA-N 1 1 349.431 1.799 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000577500705 448314711 /nfs/dbraw/zinc/31/47/11/448314711.db2.gz OBERXOOGXYKJOE-KRWDZBQOSA-N 1 1 349.431 1.799 20 5 EDBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000565782573 448380447 /nfs/dbraw/zinc/38/04/47/448380447.db2.gz CUEGDDRSXUMRMI-LBPRGKRZSA-N 1 1 335.408 1.956 20 5 EDBDMO O=c1[nH]cnc2cc(NC[C@@H]3CCC[N@@H+]3CCCO)c([N+](=O)[O-])cc12 ZINC000516848133 448479702 /nfs/dbraw/zinc/47/97/02/448479702.db2.gz HYBWZFNNMZJIAT-NSHDSACASA-N 1 1 347.375 1.502 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000585703489 448742016 /nfs/dbraw/zinc/74/20/16/448742016.db2.gz ZVZRXVBTLDDRTD-GFCCVEGCSA-N 1 1 347.419 1.929 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000579494615 448810140 /nfs/dbraw/zinc/81/01/40/448810140.db2.gz UHMLCLFBKNTRBZ-ZDUSSCGKSA-N 1 1 338.408 2.300 20 5 EDBDMO C[C@@H](CC[NH+](C)C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519502042 448773791 /nfs/dbraw/zinc/77/37/91/448773791.db2.gz KNMMJRSENALQSC-LBPRGKRZSA-N 1 1 329.422 1.298 20 5 EDBDMO CC[C@@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@@H]1[NH3+] ZINC000592488747 448859766 /nfs/dbraw/zinc/85/97/66/448859766.db2.gz MYUGFQBFUGSVOH-OCCSQVGLSA-N 1 1 348.403 1.952 20 5 EDBDMO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000589113524 448970826 /nfs/dbraw/zinc/97/08/26/448970826.db2.gz PEGLHSCTFCOYJC-LLVKDONJSA-N 1 1 326.784 1.802 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000588830153 448936603 /nfs/dbraw/zinc/93/66/03/448936603.db2.gz GSKSVXZWPWYNAO-CQSZACIVSA-N 1 1 338.795 1.368 20 5 EDBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588859981 448941175 /nfs/dbraw/zinc/94/11/75/448941175.db2.gz AGNLWQXZWRDTJP-NEPJUHHUSA-N 1 1 339.779 1.529 20 5 EDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522383615 449078874 /nfs/dbraw/zinc/07/88/74/449078874.db2.gz GZWRJKBVXKWMEB-NSHDSACASA-N 1 1 335.360 1.737 20 5 EDBDMO COC(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000597858568 449126642 /nfs/dbraw/zinc/12/66/42/449126642.db2.gz NFAGSYLAPMVHGA-ZDUSSCGKSA-N 1 1 349.387 1.984 20 5 EDBDMO CO[C@]1(CO)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000595661189 449102857 /nfs/dbraw/zinc/10/28/57/449102857.db2.gz JNKYSRZRCLHHJB-MRXNPFEDSA-N 1 1 338.360 1.435 20 5 EDBDMO CO[C@]1(CO)CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000595661189 449102862 /nfs/dbraw/zinc/10/28/62/449102862.db2.gz JNKYSRZRCLHHJB-MRXNPFEDSA-N 1 1 338.360 1.435 20 5 EDBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595680324 449116798 /nfs/dbraw/zinc/11/67/98/449116798.db2.gz ZLUPGURSDWEQEZ-BBRMVZONSA-N 1 1 347.415 1.967 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599940822 449118698 /nfs/dbraw/zinc/11/86/98/449118698.db2.gz RLYVPLRCOIYVAR-KBPBESRZSA-N 1 1 333.388 1.493 20 5 EDBDMO C[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1CCO ZINC000595692967 449121806 /nfs/dbraw/zinc/12/18/06/449121806.db2.gz CIPSCNSFZWXVER-BBRMVZONSA-N 1 1 347.415 1.967 20 5 EDBDMO Cc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590399901 449146982 /nfs/dbraw/zinc/14/69/82/449146982.db2.gz QBWXHJYWRQMMNP-GDBMZVCRSA-N 1 1 333.388 1.838 20 5 EDBDMO Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000590399160 449148142 /nfs/dbraw/zinc/14/81/42/449148142.db2.gz CGYZGIHLOPCVNM-JKSUJKDBSA-N 1 1 333.388 1.838 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC2(COC2)C1 ZINC000595832001 449196613 /nfs/dbraw/zinc/19/66/13/449196613.db2.gz AUCQBXLYHLLJFV-UHFFFAOYSA-N 1 1 333.344 1.615 20 5 EDBDMO CCN1CC[NH+]([C@@H](C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000611525606 449321961 /nfs/dbraw/zinc/32/19/61/449321961.db2.gz ODABDNLGWSRYFR-LBPRGKRZSA-N 1 1 337.424 1.107 20 5 EDBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593557056 449346756 /nfs/dbraw/zinc/34/67/56/449346756.db2.gz RBHYSXKWSZTUJX-GFCCVEGCSA-N 1 1 342.421 1.485 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342093 449356576 /nfs/dbraw/zinc/35/65/76/449356576.db2.gz DYGMSRYACVJXLB-TZMCWYRMSA-N 1 1 348.403 1.314 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3(CCC3)[C@@H]2c2ccncc2)c1 ZINC000596040764 449332738 /nfs/dbraw/zinc/33/27/38/449332738.db2.gz YUQUDLOCRMAKEU-HOTGVXAUSA-N 1 1 343.387 1.774 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC3(CCC3)[C@@H]2c2ccncc2)c1 ZINC000596040764 449332746 /nfs/dbraw/zinc/33/27/46/449332746.db2.gz YUQUDLOCRMAKEU-HOTGVXAUSA-N 1 1 343.387 1.774 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598453659 449403453 /nfs/dbraw/zinc/40/34/53/449403453.db2.gz SPJGXAZBAISSEC-ZDUSSCGKSA-N 1 1 337.351 1.405 20 5 EDBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594236619 449404023 /nfs/dbraw/zinc/40/40/23/449404023.db2.gz XTTOEFIDXWKRER-AEGPPILISA-N 1 1 348.403 1.425 20 5 EDBDMO NC(=O)c1cc(N2CCC([N@H+]3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596267977 449446391 /nfs/dbraw/zinc/44/63/91/449446391.db2.gz DXTXGNXIJYSYIR-UHFFFAOYSA-N 1 1 348.403 1.385 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598560901 449466114 /nfs/dbraw/zinc/46/61/14/449466114.db2.gz ORGQSMQZNFUVFM-AWEZNQCLSA-N 1 1 335.408 1.338 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(C)c1[N+](=O)[O-] ZINC000598716212 449560290 /nfs/dbraw/zinc/56/02/90/449560290.db2.gz AXOJMKZXRLJABX-BETUJISGSA-N 1 1 339.417 1.727 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598716891 449560984 /nfs/dbraw/zinc/56/09/84/449560984.db2.gz UWVKEFNRAKWEKC-PHIMTYICSA-N 1 1 327.406 1.583 20 5 EDBDMO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599069221 449717323 /nfs/dbraw/zinc/71/73/23/449717323.db2.gz CMDCCPMKQZILBQ-YRGRVCCFSA-N 1 1 329.360 1.271 20 5 EDBDMO C[C@@H]1OCC[C@@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000602763631 449789330 /nfs/dbraw/zinc/78/93/30/449789330.db2.gz REBGFWANXXURTA-NWDGAFQWSA-N 1 1 339.417 1.839 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000602813364 449826431 /nfs/dbraw/zinc/82/64/31/449826431.db2.gz YHLVMZTVWPVLOT-UHFFFAOYSA-N 1 1 345.407 1.522 20 5 EDBDMO COC(=O)c1c(Cl)c(NCC[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199179 449792304 /nfs/dbraw/zinc/79/23/04/449792304.db2.gz GRASINGIAPXKCA-VIFPVBQESA-N 1 1 343.767 1.513 20 5 EDBDMO COC(=O)c1c(Cl)c(NCC[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199179 449792313 /nfs/dbraw/zinc/79/23/13/449792313.db2.gz GRASINGIAPXKCA-VIFPVBQESA-N 1 1 343.767 1.513 20 5 EDBDMO C[NH+](C)C1(CS(=O)(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000601380712 449898082 /nfs/dbraw/zinc/89/80/82/449898082.db2.gz ZJNSZWQKZKDDEO-UHFFFAOYSA-N 1 1 327.406 1.151 20 5 EDBDMO C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](CO)C1 ZINC000602931785 449932241 /nfs/dbraw/zinc/93/22/41/449932241.db2.gz RMDVBNTYZFHTHV-DOMZBBRYSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](CO)C1 ZINC000602931785 449932243 /nfs/dbraw/zinc/93/22/43/449932243.db2.gz RMDVBNTYZFHTHV-DOMZBBRYSA-N 1 1 333.388 1.577 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000601438987 449959494 /nfs/dbraw/zinc/95/94/94/449959494.db2.gz ACJPJSZJHKAFCB-LLVKDONJSA-N 1 1 345.396 1.839 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000601438987 449959495 /nfs/dbraw/zinc/95/94/95/449959495.db2.gz ACJPJSZJHKAFCB-LLVKDONJSA-N 1 1 345.396 1.839 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000603007124 450003389 /nfs/dbraw/zinc/00/33/89/450003389.db2.gz ZAZAWVLVHMLZJV-UHFFFAOYSA-N 1 1 345.403 1.623 20 5 EDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609383122 450021301 /nfs/dbraw/zinc/02/13/01/450021301.db2.gz JLSYPNNLHAJESR-AWEZNQCLSA-N 1 1 332.404 1.997 20 5 EDBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000609383421 450020630 /nfs/dbraw/zinc/02/06/30/450020630.db2.gz ZQWHBMZTMCIAQF-NSHDSACASA-N 1 1 337.376 1.684 20 5 EDBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000595354035 450069433 /nfs/dbraw/zinc/06/94/33/450069433.db2.gz LIZRHSRSQKTSDT-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000609448247 450029214 /nfs/dbraw/zinc/02/92/14/450029214.db2.gz DEIQZDWTLCGOMA-GJZGRUSLSA-N 1 1 337.351 1.405 20 5 EDBDMO CC(C)(C)n1nnc(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000595423298 450132359 /nfs/dbraw/zinc/13/23/59/450132359.db2.gz LSRHXVUIPQBFBO-UHFFFAOYSA-N 1 1 331.380 1.332 20 5 EDBDMO CC(C)CNC(=O)CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595524227 450206377 /nfs/dbraw/zinc/20/63/77/450206377.db2.gz QNQWMLRIRIRAEK-UHFFFAOYSA-N 1 1 349.435 1.664 20 5 EDBDMO CNc1nccc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597709938 450213599 /nfs/dbraw/zinc/21/35/99/450213599.db2.gz DKFFQIQULARQCO-INIZCTEOSA-N 1 1 333.392 1.589 20 5 EDBDMO O=[N+]([O-])c1cccc(Br)c1NC[C@]1(CO)COCC[NH2+]1 ZINC000603417808 450290195 /nfs/dbraw/zinc/29/01/95/450290195.db2.gz BPLUCEQXBDBYGF-LBPRGKRZSA-N 1 1 346.181 1.120 20 5 EDBDMO C[N@H+]1CCCN(CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000610712849 450308850 /nfs/dbraw/zinc/30/88/50/450308850.db2.gz AWHFZBPQFPHWJL-UHFFFAOYSA-N 1 1 338.383 1.491 20 5 EDBDMO CN1CCC[N@H+](CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000610712849 450308852 /nfs/dbraw/zinc/30/88/52/450308852.db2.gz AWHFZBPQFPHWJL-UHFFFAOYSA-N 1 1 338.383 1.491 20 5 EDBDMO CN1CCC[N@@H+](CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000610712849 450308858 /nfs/dbraw/zinc/30/88/58/450308858.db2.gz AWHFZBPQFPHWJL-UHFFFAOYSA-N 1 1 338.383 1.491 20 5 EDBDMO C[C@H]1CN(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000282405130 486467668 /nfs/dbraw/zinc/46/76/68/486467668.db2.gz IBGLUEHSLCSSDU-KBPBESRZSA-N 1 1 335.404 1.705 20 5 EDBDMO C[C@H]1CN(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000282405130 486467670 /nfs/dbraw/zinc/46/76/70/486467670.db2.gz IBGLUEHSLCSSDU-KBPBESRZSA-N 1 1 335.404 1.705 20 5 EDBDMO COc1cc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])ccn1 ZINC000347567575 491006460 /nfs/dbraw/zinc/00/64/60/491006460.db2.gz UGRSSYGFDLDZRA-JTQLQIEISA-N 1 1 330.344 1.948 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000174025397 527837910 /nfs/dbraw/zinc/83/79/10/527837910.db2.gz CYWYDWIHNRXNBL-LLVKDONJSA-N 1 1 345.396 1.696 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000183987807 528545819 /nfs/dbraw/zinc/54/58/19/528545819.db2.gz XCGSZZUVNUZYOF-UHFFFAOYSA-N 1 1 327.406 1.361 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000741725724 579426261 /nfs/dbraw/zinc/42/62/61/579426261.db2.gz SIWRMNAWNGYFIG-AAEUAGOBSA-N 1 1 335.360 1.385 20 5 EDBDMO C[N@H+]1CCCN(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000748534729 579691864 /nfs/dbraw/zinc/69/18/64/579691864.db2.gz GIXCOVOJQLKIJB-UHFFFAOYSA-N 1 1 337.380 1.943 20 5 EDBDMO CN1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000748534729 579691865 /nfs/dbraw/zinc/69/18/65/579691865.db2.gz GIXCOVOJQLKIJB-UHFFFAOYSA-N 1 1 337.380 1.943 20 5 EDBDMO CN1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000748534729 579691867 /nfs/dbraw/zinc/69/18/67/579691867.db2.gz GIXCOVOJQLKIJB-UHFFFAOYSA-N 1 1 337.380 1.943 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1 ZINC000750036262 579749315 /nfs/dbraw/zinc/74/93/15/579749315.db2.gz KHKMIHQKOCWHGC-MSOLQXFVSA-N 1 1 349.431 1.815 20 5 EDBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000752235425 579842666 /nfs/dbraw/zinc/84/26/66/579842666.db2.gz MFSFTTRUGYGXRB-JTQLQIEISA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000752235425 579842668 /nfs/dbraw/zinc/84/26/68/579842668.db2.gz MFSFTTRUGYGXRB-JTQLQIEISA-N 1 1 347.824 1.929 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000758331011 579980049 /nfs/dbraw/zinc/98/00/49/579980049.db2.gz LWCVVIGZOMLIDC-IAQYHMDHSA-N 1 1 343.387 1.543 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000765930636 580153900 /nfs/dbraw/zinc/15/39/00/580153900.db2.gz QFYYKMHREUUFQH-OLZOCXBDSA-N 1 1 345.403 1.886 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000776589476 580422813 /nfs/dbraw/zinc/42/28/13/580422813.db2.gz SLQINZMTYBAREK-IRXDYDNUSA-N 1 1 335.404 1.425 20 5 EDBDMO C[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000782004159 580563595 /nfs/dbraw/zinc/56/35/95/580563595.db2.gz HZIUIOPEELNTIY-BBRMVZONSA-N 1 1 337.420 1.405 20 5 EDBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1CCO ZINC000782054933 580565094 /nfs/dbraw/zinc/56/50/94/580565094.db2.gz JSFMPYIKQOABNZ-UHFFFAOYSA-N 1 1 341.795 1.777 20 5 EDBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1CCO ZINC000782054933 580565095 /nfs/dbraw/zinc/56/50/95/580565095.db2.gz JSFMPYIKQOABNZ-UHFFFAOYSA-N 1 1 341.795 1.777 20 5 EDBDMO O=C(CC[N@@H+]1CCn2ncnc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782543259 580577291 /nfs/dbraw/zinc/57/72/91/580577291.db2.gz HHUBJJUNFJTXGM-UHFFFAOYSA-N 1 1 334.311 1.170 20 5 EDBDMO O=C(CC[N@H+]1CCn2ncnc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782543259 580577292 /nfs/dbraw/zinc/57/72/92/580577292.db2.gz HHUBJJUNFJTXGM-UHFFFAOYSA-N 1 1 334.311 1.170 20 5 EDBDMO O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000783442581 580600118 /nfs/dbraw/zinc/60/01/18/580600118.db2.gz XMLVQDMAKHELLX-AWEZNQCLSA-N 1 1 345.359 1.394 20 5 EDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000792878937 580829987 /nfs/dbraw/zinc/82/99/87/580829987.db2.gz CIJIXPHGIUANIA-UHFFFAOYSA-N 1 1 325.321 1.476 20 5 EDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C[C@@H]21 ZINC000794992396 580910393 /nfs/dbraw/zinc/91/03/93/580910393.db2.gz VCYODJLLSCIWDT-VIKVFOODSA-N 1 1 347.371 1.583 20 5 EDBDMO Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[nH+]1 ZINC000801913892 581087787 /nfs/dbraw/zinc/08/77/87/581087787.db2.gz BMMWPXQQPGVPMV-UHFFFAOYSA-N 1 1 333.323 1.861 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804808903 590776610 /nfs/dbraw/zinc/77/66/10/590776610.db2.gz MPHBBDFMIOOZPI-JSGCOSHPSA-N 1 1 348.403 1.254 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000892203731 590863078 /nfs/dbraw/zinc/86/30/78/590863078.db2.gz UQMLEUNIIKFYFE-GFCCVEGCSA-N 1 1 336.392 1.744 20 5 EDBDMO CC[NH+]1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC000891469238 591081288 /nfs/dbraw/zinc/08/12/88/591081288.db2.gz FMRBJQZYOVYSEM-UHFFFAOYSA-N 1 1 344.375 1.012 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000892687633 591130633 /nfs/dbraw/zinc/13/06/33/591130633.db2.gz NGRHBFWFWCNSBV-ZDUSSCGKSA-N 1 1 338.408 1.576 20 5 EDBDMO C[N@@H+]1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[C@@H]1CO ZINC000894882133 591455022 /nfs/dbraw/zinc/45/50/22/591455022.db2.gz RIHMMZXDVKHRNN-LLVKDONJSA-N 1 1 336.779 1.909 20 5 EDBDMO C[N@H+]1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[C@@H]1CO ZINC000894882133 591455024 /nfs/dbraw/zinc/45/50/24/591455024.db2.gz RIHMMZXDVKHRNN-LLVKDONJSA-N 1 1 336.779 1.909 20 5 EDBDMO C[C@@H](Nc1c2cc(F)ccc2ncc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895249987 591678802 /nfs/dbraw/zinc/67/88/02/591678802.db2.gz YYQWGFFEAAKFMF-BDJLRTHQSA-N 1 1 347.394 1.750 20 5 EDBDMO C[C@@H](Nc1c2cc(F)ccc2ncc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895249987 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ZINC000868896019 596343136 /nfs/dbraw/zinc/34/31/36/596343136.db2.gz FZRGEGITZSLZLK-VXGBXAGGSA-N 1 1 339.367 1.190 20 5 EDBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000121929934 596627685 /nfs/dbraw/zinc/62/76/85/596627685.db2.gz UMTOIXDRQIIVFE-OKILXGFUSA-N 1 1 335.404 1.705 20 5 EDBDMO Cc1c(-c2noc([C@H](C)N3CC[NH2+]CC3=O)n2)cccc1[N+](=O)[O-] ZINC000863677855 596655408 /nfs/dbraw/zinc/65/54/08/596655408.db2.gz MNTXILFSLDPQCT-JTQLQIEISA-N 1 1 331.332 1.446 20 5 EDBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000872663815 597019413 /nfs/dbraw/zinc/01/94/13/597019413.db2.gz OHVGJHBHUSYVDE-MNOVXSKESA-N 1 1 331.419 1.514 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000872663815 597019414 /nfs/dbraw/zinc/01/94/14/597019414.db2.gz OHVGJHBHUSYVDE-MNOVXSKESA-N 1 1 331.419 1.514 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000872666037 597021460 /nfs/dbraw/zinc/02/14/60/597021460.db2.gz RUVRQYPFGGBRBZ-OLZOCXBDSA-N 1 1 339.417 1.760 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000872666037 597021464 /nfs/dbraw/zinc/02/14/64/597021464.db2.gz RUVRQYPFGGBRBZ-OLZOCXBDSA-N 1 1 339.417 1.760 20 5 EDBDMO Cc1nn(CCC(=O)OCC[NH+]2CCSCC2)c(C)c1[N+](=O)[O-] ZINC000127284105 597686556 /nfs/dbraw/zinc/68/65/56/597686556.db2.gz CSJQYJNXEMEBIC-UHFFFAOYSA-N 1 1 342.421 1.390 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000127289803 597688058 /nfs/dbraw/zinc/68/80/58/597688058.db2.gz AVUCXWBCVCJFNH-NXEZZACHSA-N 1 1 336.348 1.976 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[N@H+]1C ZINC000878960580 597767529 /nfs/dbraw/zinc/76/75/29/597767529.db2.gz NLAZYVJGQBMAFJ-VXGBXAGGSA-N 1 1 349.387 1.969 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C[C@H]1C ZINC000879286981 597876404 /nfs/dbraw/zinc/87/64/04/597876404.db2.gz IVESTSNJKXBKKJ-GFCCVEGCSA-N 1 1 349.387 1.922 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C[C@H]1C ZINC000879286981 597876406 /nfs/dbraw/zinc/87/64/06/597876406.db2.gz IVESTSNJKXBKKJ-GFCCVEGCSA-N 1 1 349.387 1.922 20 5 EDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880431848 597932689 /nfs/dbraw/zinc/93/26/89/597932689.db2.gz HLXPAPDWNFUMMQ-WOSRLPQWSA-N 1 1 340.376 1.070 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CCOC[C@@H]2OC)c1 ZINC000880436459 597934273 /nfs/dbraw/zinc/93/42/73/597934273.db2.gz WKSHHARYQVENGU-GJZGRUSLSA-N 1 1 338.360 1.617 20 5 EDBDMO CCN1CC[C@H]1CNc1ncnc(NC[C@@H]2CC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000882959081 598116891 /nfs/dbraw/zinc/11/68/91/598116891.db2.gz UIVTXCYDYZJLKK-STQMWFEESA-N 1 1 349.439 1.397 20 5 EDBDMO CCN1CC[C@H]1CNc1ncnc(NC[C@@H]2CC[N@H+]2CC)c1[N+](=O)[O-] ZINC000882959081 598116893 /nfs/dbraw/zinc/11/68/93/598116893.db2.gz UIVTXCYDYZJLKK-STQMWFEESA-N 1 1 349.439 1.397 20 5 EDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1cc[n+]([O-])cc1 ZINC001031531490 697216497 /nfs/dbraw/zinc/21/64/97/697216497.db2.gz XRXWKKMAEWYJSF-UHFFFAOYSA-N 1 1 342.355 1.090 20 5 EDBDMO Cn1cnc(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001031613236 697327690 /nfs/dbraw/zinc/32/76/90/697327690.db2.gz IVHAEXNXBRUJLZ-UHFFFAOYSA-N 1 1 329.360 1.190 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000920044675 697386002 /nfs/dbraw/zinc/38/60/02/697386002.db2.gz PVVICZZMNZDJAX-UWVGGRQHSA-N 1 1 331.419 1.561 20 5 EDBDMO Cc1cn(C)nc1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001031660847 697430618 /nfs/dbraw/zinc/43/06/18/697430618.db2.gz ULOBVRFAHQOREG-UHFFFAOYSA-N 1 1 343.387 1.499 20 5 EDBDMO Cc1ccc(C)c(OCC[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001031660340 697434625 /nfs/dbraw/zinc/43/46/25/697434625.db2.gz GHPYIXXOSAUXRF-HZPDHXFCSA-N 1 1 347.415 1.395 20 5 EDBDMO Cc1cccc(CCC[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001031662533 697439359 /nfs/dbraw/zinc/43/93/59/697439359.db2.gz GPWCUOUZGNJWIY-IAGOWNOFSA-N 1 1 331.416 1.641 20 5 EDBDMO Cc1ncn(C)c1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031747891 698896560 /nfs/dbraw/zinc/89/65/60/698896560.db2.gz RGZNFQGQKQNFJF-UHFFFAOYSA-N 1 1 343.387 1.499 20 5 EDBDMO Cc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034642353 710318164 /nfs/dbraw/zinc/31/81/64/710318164.db2.gz BTGSBVBRAAWACS-KLHDSHLOSA-N 1 1 332.404 1.572 20 5 EDBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000052134305 214119322 /nfs/dbraw/zinc/11/93/22/214119322.db2.gz CHIVVXOINGKVRS-CQSZACIVSA-N 1 1 341.433 1.889 20 5 EDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180838381 529804392 /nfs/dbraw/zinc/80/43/92/529804392.db2.gz CNHNJVKHOJJJLG-SECBINFHSA-N 1 1 329.303 1.878 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178574983 232266031 /nfs/dbraw/zinc/26/60/31/232266031.db2.gz USXOITJVZPJRJQ-WFASDCNBSA-N 1 1 333.392 1.267 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000104076117 219345358 /nfs/dbraw/zinc/34/53/58/219345358.db2.gz BLCJHAHFSWQBRS-STQMWFEESA-N 1 1 348.403 1.818 20 5 EDBDMO CCOc1cc(C(=O)N[C@H]2CC[N@@H+](CC)C2)c([N+](=O)[O-])cc1OC ZINC000412853311 304042161 /nfs/dbraw/zinc/04/21/61/304042161.db2.gz SZUNLSVLMAALHC-NSHDSACASA-N 1 1 337.376 1.826 20 5 EDBDMO C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000183601249 235159052 /nfs/dbraw/zinc/15/90/52/235159052.db2.gz NWQWLGRTDARCKI-CQSZACIVSA-N 1 1 346.431 1.722 20 5 EDBDMO O=C(CC[NH+]1CCN(CC(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000057919832 138159381 /nfs/dbraw/zinc/15/93/81/138159381.db2.gz OUVALJAQIQAOLC-UHFFFAOYSA-N 1 1 342.346 1.806 20 5 EDBDMO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)CO1 ZINC000076148577 138247246 /nfs/dbraw/zinc/24/72/46/138247246.db2.gz CETIJQIAIILQCY-JQFCIGGWSA-N 1 1 346.387 1.614 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)CO1 ZINC000076148577 138247247 /nfs/dbraw/zinc/24/72/47/138247247.db2.gz CETIJQIAIILQCY-JQFCIGGWSA-N 1 1 346.387 1.614 20 5 EDBDMO Cc1nc(Sc2nnnn2C[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000131979336 138369052 /nfs/dbraw/zinc/36/90/52/138369052.db2.gz PMFGVBFZNQSWCO-SNVBAGLBSA-N 1 1 335.393 1.388 20 5 EDBDMO Cc1cc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000186922073 236064974 /nfs/dbraw/zinc/06/49/74/236064974.db2.gz WGYPSMDFXRHCNP-ZDUSSCGKSA-N 1 1 335.404 1.820 20 5 EDBDMO Cc1c(CC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000186957248 236078602 /nfs/dbraw/zinc/07/86/02/236078602.db2.gz UQRRCBJTYQADPW-ZDUSSCGKSA-N 1 1 349.431 1.749 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072858410 216318707 /nfs/dbraw/zinc/31/87/07/216318707.db2.gz NTMIGDUHGWHIHO-CQSZACIVSA-N 1 1 334.420 1.831 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000111264617 220124728 /nfs/dbraw/zinc/12/47/28/220124728.db2.gz NDGIXMAGAMYOQA-LBPRGKRZSA-N 1 1 334.376 1.300 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000111264617 220124730 /nfs/dbraw/zinc/12/47/30/220124730.db2.gz NDGIXMAGAMYOQA-LBPRGKRZSA-N 1 1 334.376 1.300 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245420711 139073567 /nfs/dbraw/zinc/07/35/67/139073567.db2.gz HRFDXRXKYBCXBJ-WFASDCNBSA-N 1 1 334.420 1.856 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000246283197 139102293 /nfs/dbraw/zinc/10/22/93/139102293.db2.gz VSLCCXIRZASYBI-BXUZGUMPSA-N 1 1 327.406 1.556 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000246452495 139109089 /nfs/dbraw/zinc/10/90/89/139109089.db2.gz ONUBCDGPFMNRJV-GXTWGEPZSA-N 1 1 338.412 1.163 20 5 EDBDMO COc1cccc([C@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000246735539 139119509 /nfs/dbraw/zinc/11/95/09/139119509.db2.gz NNJLGDKIPJMWAA-NVXWUHKLSA-N 1 1 346.387 1.998 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246744396 139119903 /nfs/dbraw/zinc/11/99/03/139119903.db2.gz PSRKGZIVTAJYTA-SWLSCSKDSA-N 1 1 341.433 1.697 20 5 EDBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000262022917 139244521 /nfs/dbraw/zinc/24/45/21/139244521.db2.gz RTFZDJWNUBMTSX-GFCCVEGCSA-N 1 1 345.359 1.422 20 5 EDBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000262022917 139244522 /nfs/dbraw/zinc/24/45/22/139244522.db2.gz RTFZDJWNUBMTSX-GFCCVEGCSA-N 1 1 345.359 1.422 20 5 EDBDMO O=C(NC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000262256483 139264118 /nfs/dbraw/zinc/26/41/18/139264118.db2.gz QSTUNCWDPNVVNG-WBVHZDCISA-N 1 1 346.431 1.675 20 5 EDBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000425000414 252292502 /nfs/dbraw/zinc/29/25/02/252292502.db2.gz NEMSQJFGDGKKOL-UHFFFAOYSA-N 1 1 339.367 1.917 20 5 EDBDMO CC[N@H+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000487759329 255034731 /nfs/dbraw/zinc/03/47/31/255034731.db2.gz XZECCCZPSSMNCT-SNVBAGLBSA-N 1 1 327.331 1.968 20 5 EDBDMO CC(C)(C[NH+]1CCOCC1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493512865 255213301 /nfs/dbraw/zinc/21/33/01/255213301.db2.gz BLCOVLCOYQDWBR-FPLPWBNLSA-N 1 1 333.388 1.835 20 5 EDBDMO Cc1nn(CCC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000119352802 221301168 /nfs/dbraw/zinc/30/11/68/221301168.db2.gz QADIDHVJGLTRMW-HUUCEWRRSA-N 1 1 349.435 1.741 20 5 EDBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1[N+](=O)[O-] ZINC000270681073 140147016 /nfs/dbraw/zinc/14/70/16/140147016.db2.gz QBFMFVHCJLXEQU-CYBMUJFWSA-N 1 1 339.367 1.701 20 5 EDBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271334111 140280213 /nfs/dbraw/zinc/28/02/13/140280213.db2.gz RWTUDTMRYGDSHI-ONGXEEELSA-N 1 1 347.400 1.908 20 5 EDBDMO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000271800538 140352129 /nfs/dbraw/zinc/35/21/29/140352129.db2.gz WLQHAXYVCZOQSO-JTQLQIEISA-N 1 1 333.797 1.621 20 5 EDBDMO C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000271800538 140352131 /nfs/dbraw/zinc/35/21/31/140352131.db2.gz WLQHAXYVCZOQSO-JTQLQIEISA-N 1 1 333.797 1.621 20 5 EDBDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000331834117 141086568 /nfs/dbraw/zinc/08/65/68/141086568.db2.gz BPVWTQYAGIPWBU-FMKPAKJESA-N 1 1 336.388 1.965 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@@H]1C ZINC000347169184 143290368 /nfs/dbraw/zinc/29/03/68/143290368.db2.gz NIEWBGUMDMZXJR-SMDDNHRTSA-N 1 1 337.376 1.131 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347242749 143299299 /nfs/dbraw/zinc/29/92/99/143299299.db2.gz TYHLMRMRYHEFAD-NSHDSACASA-N 1 1 325.340 1.263 20 5 EDBDMO C[C@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)c1ccc([N+](=O)[O-])cc1F ZINC000347944241 143382198 /nfs/dbraw/zinc/38/21/98/143382198.db2.gz PSBXMEVKYOXGER-JTQLQIEISA-N 1 1 349.366 1.953 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000408127493 292175372 /nfs/dbraw/zinc/17/53/72/292175372.db2.gz DSKAXNCNWGPGRY-LBPRGKRZSA-N 1 1 325.390 1.372 20 5 EDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[C@H]1O ZINC000352658164 149105107 /nfs/dbraw/zinc/10/51/07/149105107.db2.gz DFCRZJZUDVOJCX-TZMCWYRMSA-N 1 1 335.360 1.738 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000353134979 149299811 /nfs/dbraw/zinc/29/98/11/149299811.db2.gz IRCCONUIYSRPRD-UHFFFAOYSA-N 1 1 331.332 1.513 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000353323466 149365408 /nfs/dbraw/zinc/36/54/08/149365408.db2.gz YWGANIDRWCCARX-AWEZNQCLSA-N 1 1 334.376 1.524 20 5 EDBDMO Cc1[nH]nc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1[N+](=O)[O-] ZINC000355344493 150225564 /nfs/dbraw/zinc/22/55/64/150225564.db2.gz RKAOGSNZTWFYKR-ZDUSSCGKSA-N 1 1 345.359 1.445 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000357567710 151069671 /nfs/dbraw/zinc/06/96/71/151069671.db2.gz IVFSTEIVPGONKV-SMDDNHRTSA-N 1 1 337.376 1.635 20 5 EDBDMO O=[N+]([O-])c1ccc(Cc2noc([C@H]3CCc4[nH+]ccn4C3)n2)nc1 ZINC000370059879 155306761 /nfs/dbraw/zinc/30/67/61/155306761.db2.gz LWLILQNMJGDXAQ-JTQLQIEISA-N 1 1 326.316 1.890 20 5 EDBDMO CC[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C[C@@H](C)O ZINC000361265923 152349334 /nfs/dbraw/zinc/34/93/34/152349334.db2.gz LOHGHZHZLPBNRC-OLZOCXBDSA-N 1 1 347.419 1.748 20 5 EDBDMO CC(C)N1C(=O)N[C@@]2(CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1=O ZINC000364038457 153129213 /nfs/dbraw/zinc/12/92/13/153129213.db2.gz WFVSLDOVEHVJJQ-MRXNPFEDSA-N 1 1 332.360 1.500 20 5 EDBDMO CC(C)N1C(=O)N[C@@]2(CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1=O ZINC000364038457 153129215 /nfs/dbraw/zinc/12/92/15/153129215.db2.gz WFVSLDOVEHVJJQ-MRXNPFEDSA-N 1 1 332.360 1.500 20 5 EDBDMO COc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000364037726 153129655 /nfs/dbraw/zinc/12/96/55/153129655.db2.gz VSKHWWRPGBOTSA-UKRRQHHQSA-N 1 1 349.387 1.275 20 5 EDBDMO CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000365100027 153423320 /nfs/dbraw/zinc/42/33/20/153423320.db2.gz NLTMDHQKNYKAJK-ZDUSSCGKSA-N 1 1 344.371 1.891 20 5 EDBDMO Cc1c(CC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000367082550 154002900 /nfs/dbraw/zinc/00/29/00/154002900.db2.gz XYWIRUCKFDGOOI-JKSUJKDBSA-N 1 1 347.415 1.815 20 5 EDBDMO Cc1c(CC(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000367082550 154002901 /nfs/dbraw/zinc/00/29/01/154002901.db2.gz XYWIRUCKFDGOOI-JKSUJKDBSA-N 1 1 347.415 1.815 20 5 EDBDMO CCC[N@H+]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000367899232 154317524 /nfs/dbraw/zinc/31/75/24/154317524.db2.gz CBGVJLWDMTZQKX-UHFFFAOYSA-N 1 1 335.360 1.881 20 5 EDBDMO O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000371711882 156074256 /nfs/dbraw/zinc/07/42/56/156074256.db2.gz WUBTZEXDYYBECT-UUAJXVIYSA-N 1 1 329.400 1.678 20 5 EDBDMO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CC1[N+](=O)[O-] ZINC000371711882 156074258 /nfs/dbraw/zinc/07/42/58/156074258.db2.gz WUBTZEXDYYBECT-UUAJXVIYSA-N 1 1 329.400 1.678 20 5 EDBDMO O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CC1[N+](=O)[O-] ZINC000371711882 156074264 /nfs/dbraw/zinc/07/42/64/156074264.db2.gz WUBTZEXDYYBECT-UUAJXVIYSA-N 1 1 329.400 1.678 20 5 EDBDMO CC1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000372288886 156315068 /nfs/dbraw/zinc/31/50/68/156315068.db2.gz MZAHOCWPHIPEKY-CQSZACIVSA-N 1 1 335.408 1.687 20 5 EDBDMO CC1CCN(C(=O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000372288886 156315071 /nfs/dbraw/zinc/31/50/71/156315071.db2.gz MZAHOCWPHIPEKY-CQSZACIVSA-N 1 1 335.408 1.687 20 5 EDBDMO CCc1ccc([C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC[NH2+]2)cc1 ZINC000374322288 157243317 /nfs/dbraw/zinc/24/33/17/157243317.db2.gz CZRXRGRDDFAWHN-OAHLLOKOSA-N 1 1 343.387 1.527 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000352534940 162237739 /nfs/dbraw/zinc/23/77/39/162237739.db2.gz ZJTQXURANCAFGV-HNNXBMFYSA-N 1 1 341.433 1.889 20 5 EDBDMO CCOc1cc(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366315101 162376056 /nfs/dbraw/zinc/37/60/56/162376056.db2.gz RRULDUIWUPUGPT-NEPJUHHUSA-N 1 1 333.344 1.088 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366482503 162387198 /nfs/dbraw/zinc/38/71/98/162387198.db2.gz NHAWTSKKEWJMPR-KRWDZBQOSA-N 1 1 332.404 1.869 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)c1C ZINC000120467420 287361462 /nfs/dbraw/zinc/36/14/62/287361462.db2.gz QMGFPCBNKNENHF-CYBMUJFWSA-N 1 1 341.433 1.832 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000160693411 225454252 /nfs/dbraw/zinc/45/42/52/225454252.db2.gz KULZDSLWZOSCGI-UHFFFAOYSA-N 1 1 343.387 1.329 20 5 EDBDMO CCCCC[N@@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273283251 268013442 /nfs/dbraw/zinc/01/34/42/268013442.db2.gz DNTYAZREQDCQRK-AWEZNQCLSA-N 1 1 326.393 1.819 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000275352498 268328597 /nfs/dbraw/zinc/32/85/97/268328597.db2.gz UEZPCEDPGTVOAU-NSHDSACASA-N 1 1 336.373 1.332 20 5 EDBDMO COCCO[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000275553553 268359752 /nfs/dbraw/zinc/35/97/52/268359752.db2.gz NBQPUSTUXITXGD-GOEBONIOSA-N 1 1 340.376 1.072 20 5 EDBDMO Cn1ccnc(N2CCC[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1=O ZINC000275711141 268370786 /nfs/dbraw/zinc/37/07/86/268370786.db2.gz YGFQCIGZYFLLAP-LBPRGKRZSA-N 1 1 349.416 1.509 20 5 EDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000275840896 268377513 /nfs/dbraw/zinc/37/75/13/268377513.db2.gz PTYIYOPNHIBRFM-SNVBAGLBSA-N 1 1 326.328 1.264 20 5 EDBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)O1 ZINC000160468854 272929804 /nfs/dbraw/zinc/92/98/04/272929804.db2.gz NBQBXOYPFIOEFS-UTUOFQBUSA-N 1 1 336.396 1.045 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000276215775 273153626 /nfs/dbraw/zinc/15/36/26/273153626.db2.gz WPLIDPFHJLCKTL-LBPRGKRZSA-N 1 1 346.387 1.608 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000277368851 273193852 /nfs/dbraw/zinc/19/38/52/273193852.db2.gz CWEMELRRZUUVMP-UHFFFAOYSA-N 1 1 333.348 1.333 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278886848 273267643 /nfs/dbraw/zinc/26/76/43/273267643.db2.gz NUBXLJMDWUYTFC-ZBEGNZNMSA-N 1 1 332.360 1.134 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278886848 273267644 /nfs/dbraw/zinc/26/76/44/273267644.db2.gz NUBXLJMDWUYTFC-ZBEGNZNMSA-N 1 1 332.360 1.134 20 5 EDBDMO O=C1C[C@@]2(CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)CN1 ZINC000279485854 273301278 /nfs/dbraw/zinc/30/12/78/273301278.db2.gz UKWLBVLFXMGRSC-HNNXBMFYSA-N 1 1 341.314 1.908 20 5 EDBDMO O=C1C[C@@]2(CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)CN1 ZINC000279485854 273301279 /nfs/dbraw/zinc/30/12/79/273301279.db2.gz UKWLBVLFXMGRSC-HNNXBMFYSA-N 1 1 341.314 1.908 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000279572656 273306772 /nfs/dbraw/zinc/30/67/72/273306772.db2.gz AQLLYIWGKMUSIM-UHFFFAOYSA-N 1 1 328.390 1.660 20 5 EDBDMO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000284676280 274289914 /nfs/dbraw/zinc/28/99/14/274289914.db2.gz HCGYWOKBEJOQPU-TZMCWYRMSA-N 1 1 325.321 1.787 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]21 ZINC000368590596 277143636 /nfs/dbraw/zinc/14/36/36/277143636.db2.gz KYQGJWRSRSUKKQ-RISCZKNCSA-N 1 1 347.371 1.532 20 5 EDBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000426189947 277289897 /nfs/dbraw/zinc/28/98/97/277289897.db2.gz CVYKWRRDDZNIPL-CQSZACIVSA-N 1 1 327.406 1.151 20 5 EDBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000052133769 278113163 /nfs/dbraw/zinc/11/31/63/278113163.db2.gz OTNIGSMIWSVZIK-AWEZNQCLSA-N 1 1 341.433 1.889 20 5 EDBDMO CC[C@H](C)[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000286724212 288070627 /nfs/dbraw/zinc/07/06/27/288070627.db2.gz BHLALFLXJZGDTA-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO COC(=O)c1cc(C)nc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000287169370 288171963 /nfs/dbraw/zinc/17/19/63/288171963.db2.gz GWRGXMBVTBQFKG-NEPJUHHUSA-N 1 1 334.376 1.758 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1C ZINC000288059613 288393592 /nfs/dbraw/zinc/39/35/92/288393592.db2.gz UVEMDZCGPVMKRK-NXEZZACHSA-N 1 1 337.405 1.491 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000291262038 289027309 /nfs/dbraw/zinc/02/73/09/289027309.db2.gz KPQDFMYMMLZQBV-BETUJISGSA-N 1 1 346.387 1.116 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000420245819 295253958 /nfs/dbraw/zinc/25/39/58/295253958.db2.gz SDEDPUQBELATTB-GFCCVEGCSA-N 1 1 334.376 1.004 20 5 EDBDMO CCc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000456207885 447326004 /nfs/dbraw/zinc/32/60/04/447326004.db2.gz HMLAUDWTQRXJHI-BETUJISGSA-N 1 1 335.404 1.684 20 5 EDBDMO CCc1ccc(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000456207885 447326010 /nfs/dbraw/zinc/32/60/10/447326010.db2.gz HMLAUDWTQRXJHI-BETUJISGSA-N 1 1 335.404 1.684 20 5 EDBDMO CC(C)C[C@@H]1C(=O)NCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293710121 303007038 /nfs/dbraw/zinc/00/70/38/303007038.db2.gz XSBIWRIXCAHQES-CVEARBPZSA-N 1 1 335.404 1.865 20 5 EDBDMO CC(C)C[C@@H]1C(=O)NCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293710121 303007039 /nfs/dbraw/zinc/00/70/39/303007039.db2.gz XSBIWRIXCAHQES-CVEARBPZSA-N 1 1 335.404 1.865 20 5 EDBDMO COCC[N@H+](C)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294373851 303098830 /nfs/dbraw/zinc/09/88/30/303098830.db2.gz BKNPBFVOOSJXKT-UHFFFAOYSA-N 1 1 337.376 1.252 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294373851 303098832 /nfs/dbraw/zinc/09/88/32/303098832.db2.gz BKNPBFVOOSJXKT-UHFFFAOYSA-N 1 1 337.376 1.252 20 5 EDBDMO COc1cc(CNCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])cc1OC ZINC000294835956 303149378 /nfs/dbraw/zinc/14/93/78/303149378.db2.gz LZUFTCYRXDDLKE-UHFFFAOYSA-N 1 1 339.392 1.158 20 5 EDBDMO COC(=O)[C@@H]([NH2+]CCCNc1c([N+](=O)[O-])c(C)nn1C)C(C)C ZINC000294881203 303152482 /nfs/dbraw/zinc/15/24/82/303152482.db2.gz FFQOIKVRFPIPMK-NSHDSACASA-N 1 1 327.385 1.226 20 5 EDBDMO COc1c(C)cnc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000295184935 303185339 /nfs/dbraw/zinc/18/53/39/303185339.db2.gz QGJWNKYSPZRPPK-AWEZNQCLSA-N 1 1 349.391 1.305 20 5 EDBDMO CC(C)(CCC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[N+](=O)[O-] ZINC000295678768 303251291 /nfs/dbraw/zinc/25/12/91/303251291.db2.gz LQFYNHKOIGTGGL-INIZCTEOSA-N 1 1 349.431 1.705 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456233969 447344701 /nfs/dbraw/zinc/34/47/01/447344701.db2.gz ZIBYMEMNGKLZTI-TXEJJXNPSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456233969 447344706 /nfs/dbraw/zinc/34/47/06/447344706.db2.gz ZIBYMEMNGKLZTI-TXEJJXNPSA-N 1 1 337.376 1.131 20 5 EDBDMO C[NH+](C)Cc1cc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)no1 ZINC000427794950 304997324 /nfs/dbraw/zinc/99/73/24/304997324.db2.gz DMPLENHQQKSIQX-UHFFFAOYSA-N 1 1 348.363 1.318 20 5 EDBDMO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000429562485 305032231 /nfs/dbraw/zinc/03/22/31/305032231.db2.gz KVRKLANIBHYZIF-SFDCACGMSA-N 1 1 339.417 1.766 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000429562485 305032232 /nfs/dbraw/zinc/03/22/32/305032232.db2.gz KVRKLANIBHYZIF-SFDCACGMSA-N 1 1 339.417 1.766 20 5 EDBDMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000444360360 305246963 /nfs/dbraw/zinc/24/69/63/305246963.db2.gz CYOUXMMYBLRNRO-CYBMUJFWSA-N 1 1 335.404 1.441 20 5 EDBDMO O=[N+]([O-])c1c(NC[C@H]2CCC[N@@H+]2CCCO)nc2sccn21 ZINC000450595655 305330364 /nfs/dbraw/zinc/33/03/64/305330364.db2.gz MGVNRWLADPUOHO-SNVBAGLBSA-N 1 1 325.394 1.563 20 5 EDBDMO NC(=O)NC(=O)CCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549689 305352888 /nfs/dbraw/zinc/35/28/88/305352888.db2.gz QEBPOCGQWRCCNN-ZDUSSCGKSA-N 1 1 334.376 1.749 20 5 EDBDMO CCOc1cccc(C[N@@H+](CCO)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000452044330 305379738 /nfs/dbraw/zinc/37/97/38/305379738.db2.gz GTSOITLHTWINKM-UHFFFAOYSA-N 1 1 334.376 1.685 20 5 EDBDMO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000452090638 305382269 /nfs/dbraw/zinc/38/22/69/305382269.db2.gz UXEVPBVIHBINPB-UHFFFAOYSA-N 1 1 333.435 1.809 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc([N+](=O)[O-])cc1F ZINC000452388181 305397133 /nfs/dbraw/zinc/39/71/33/305397133.db2.gz JDGVJBLVVHEPKC-LBPRGKRZSA-N 1 1 325.340 1.311 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452396161 305397735 /nfs/dbraw/zinc/39/77/35/305397735.db2.gz XVWHTDMDYDSTCT-AWEZNQCLSA-N 1 1 339.367 1.239 20 5 EDBDMO O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000489947360 305567039 /nfs/dbraw/zinc/56/70/39/305567039.db2.gz PHWJYVGSXHSIKX-MRVPVSSYSA-N 1 1 338.165 1.798 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H]1C ZINC000535747808 306016312 /nfs/dbraw/zinc/01/63/12/306016312.db2.gz PHHWQJYGVHDOAA-VXGBXAGGSA-N 1 1 349.387 1.921 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000542778271 306057875 /nfs/dbraw/zinc/05/78/75/306057875.db2.gz YPSSQJUBIDGCFO-CZUORRHYSA-N 1 1 348.403 1.709 20 5 EDBDMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000548411982 306127316 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C[C@H](O)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CO ZINC000190846068 443194601 /nfs/dbraw/zinc/19/46/01/443194601.db2.gz XSDOCKYKEQWRJM-UWVGGRQHSA-N 1 1 345.783 1.250 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000245443512 443228183 /nfs/dbraw/zinc/22/81/83/443228183.db2.gz IVHZLOSFJUEYQV-VXGBXAGGSA-N 1 1 334.376 1.428 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000245443512 443228185 /nfs/dbraw/zinc/22/81/85/443228185.db2.gz IVHZLOSFJUEYQV-VXGBXAGGSA-N 1 1 334.376 1.428 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC[C@H](C)O ZINC000245461667 443229856 /nfs/dbraw/zinc/22/98/56/443229856.db2.gz WNKOFVJMKOVXEH-WDEREUQCSA-N 1 1 325.365 1.633 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@H](C)O ZINC000245461667 443229857 /nfs/dbraw/zinc/22/98/57/443229857.db2.gz WNKOFVJMKOVXEH-WDEREUQCSA-N 1 1 325.365 1.633 20 5 EDBDMO C[C@H](O)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)CO ZINC000190922139 443209686 /nfs/dbraw/zinc/20/96/86/443209686.db2.gz UHBJEJIWCUTFLQ-QWRGUYRKSA-N 1 1 336.348 1.208 20 5 EDBDMO C[C@H](O)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)CO ZINC000190922139 443209687 /nfs/dbraw/zinc/20/96/87/443209687.db2.gz UHBJEJIWCUTFLQ-QWRGUYRKSA-N 1 1 336.348 1.208 20 5 EDBDMO [NH3+]CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000383295572 319125439 /nfs/dbraw/zinc/12/54/39/319125439.db2.gz MMNOSFZWRYUJSC-ZETCQYMHSA-N 1 1 343.739 1.509 20 5 EDBDMO COC(=O)[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)CC[N@@H+](C)C1 ZINC000413494168 319271352 /nfs/dbraw/zinc/27/13/52/319271352.db2.gz GWFQPPQQICLOSY-NSHDSACASA-N 1 1 325.340 1.583 20 5 EDBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000264424032 443287120 /nfs/dbraw/zinc/28/71/20/443287120.db2.gz KTBHPESVHWOEPD-AWEZNQCLSA-N 1 1 349.435 1.149 20 5 EDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000264488125 443307597 /nfs/dbraw/zinc/30/75/97/443307597.db2.gz VYROIVRFMNCWQV-CYBMUJFWSA-N 1 1 346.387 1.605 20 5 EDBDMO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000272488607 443336015 /nfs/dbraw/zinc/33/60/15/443336015.db2.gz HLVHGMXXWPWTGV-JTQLQIEISA-N 1 1 333.373 1.520 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c(C)c1[N+](=O)[O-] ZINC000272493319 443338215 /nfs/dbraw/zinc/33/82/15/443338215.db2.gz NEASOYZIEYZUHJ-ZIAGYGMSSA-N 1 1 335.408 1.351 20 5 EDBDMO Cc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269669581 443387634 /nfs/dbraw/zinc/38/76/34/443387634.db2.gz JZQXJZXXMXPACP-DGCLKSJQSA-N 1 1 333.392 1.715 20 5 EDBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269669581 443387637 /nfs/dbraw/zinc/38/76/37/443387637.db2.gz JZQXJZXXMXPACP-DGCLKSJQSA-N 1 1 333.392 1.715 20 5 EDBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269669581 443387643 /nfs/dbraw/zinc/38/76/43/443387643.db2.gz JZQXJZXXMXPACP-DGCLKSJQSA-N 1 1 333.392 1.715 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269551311 443345468 /nfs/dbraw/zinc/34/54/68/443345468.db2.gz YNOZCMJGXWRCRA-GFCCVEGCSA-N 1 1 341.795 1.777 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264611966 443346812 /nfs/dbraw/zinc/34/68/12/443346812.db2.gz NYEDHKSJYRRTMM-GFCCVEGCSA-N 1 1 335.408 1.971 20 5 EDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000264678182 443371164 /nfs/dbraw/zinc/37/11/64/443371164.db2.gz KKLNQHLWZIKACR-NSHDSACASA-N 1 1 338.433 1.292 20 5 EDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000264678182 443371167 /nfs/dbraw/zinc/37/11/67/443371167.db2.gz KKLNQHLWZIKACR-NSHDSACASA-N 1 1 338.433 1.292 20 5 EDBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000278785277 443438626 /nfs/dbraw/zinc/43/86/26/443438626.db2.gz WBXYMRJNMOTBQT-CVEARBPZSA-N 1 1 338.404 1.749 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000270909600 443484344 /nfs/dbraw/zinc/48/43/44/443484344.db2.gz LKZUPOINIFKMKZ-UHFFFAOYSA-N 1 1 336.348 1.978 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000270909600 443484347 /nfs/dbraw/zinc/48/43/47/443484347.db2.gz LKZUPOINIFKMKZ-UHFFFAOYSA-N 1 1 336.348 1.978 20 5 EDBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000272906202 443485458 /nfs/dbraw/zinc/48/54/58/443485458.db2.gz NAXPPFIMZOIZRH-ZWNOBZJWSA-N 1 1 342.421 1.383 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000279382964 443571707 /nfs/dbraw/zinc/57/17/07/443571707.db2.gz SXWGWRXBPQSHLB-STQMWFEESA-N 1 1 349.370 1.130 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272316839 443590006 /nfs/dbraw/zinc/59/00/06/443590006.db2.gz JZGAOBOMLGRJOQ-SWLSCSKDSA-N 1 1 346.387 1.394 20 5 EDBDMO C[C@@H]1C[N@H+](CC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000273144414 443550337 /nfs/dbraw/zinc/55/03/37/443550337.db2.gz FWVIQRIXPZZVNA-BETUJISGSA-N 1 1 335.408 1.710 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCCC[C@H]2CC(N)=O)c([N+](=O)[O-])c1 ZINC000441505182 320097076 /nfs/dbraw/zinc/09/70/76/320097076.db2.gz GSXSINUSUPSXNG-LBPRGKRZSA-N 1 1 337.376 1.712 20 5 EDBDMO C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1CC(C)(C)O ZINC000443983131 320118017 /nfs/dbraw/zinc/11/80/17/320118017.db2.gz QWHSRHYMCGZYCH-LBPRGKRZSA-N 1 1 345.403 1.819 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000452390052 320249014 /nfs/dbraw/zinc/24/90/14/320249014.db2.gz NMCIKVVNWVLNRD-AWEZNQCLSA-N 1 1 347.371 1.918 20 5 EDBDMO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@]2(CCOC2)O1 ZINC000280326836 443694562 /nfs/dbraw/zinc/69/45/62/443694562.db2.gz HKCRPOVMIXQQJT-MRXNPFEDSA-N 1 1 337.376 1.026 20 5 EDBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@]2(CCOC2)O1 ZINC000280326836 443694563 /nfs/dbraw/zinc/69/45/63/443694563.db2.gz HKCRPOVMIXQQJT-MRXNPFEDSA-N 1 1 337.376 1.026 20 5 EDBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000291048659 443739966 /nfs/dbraw/zinc/73/99/66/443739966.db2.gz DJDARPKYMQWGEI-LLVKDONJSA-N 1 1 344.437 1.775 20 5 EDBDMO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000276710276 443799447 /nfs/dbraw/zinc/79/94/47/443799447.db2.gz JGKPBECEJKJTTM-WCQYABFASA-N 1 1 334.376 1.697 20 5 EDBDMO O=C(CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000298682431 443837402 /nfs/dbraw/zinc/83/74/02/443837402.db2.gz ANILPXVCOFAQCD-UHFFFAOYSA-N 1 1 346.431 1.377 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[N@@H+](C)C1 ZINC000285301612 443933570 /nfs/dbraw/zinc/93/35/70/443933570.db2.gz SCINGKCUIHQIMI-STQMWFEESA-N 1 1 346.387 1.867 20 5 EDBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cs1 ZINC000285502578 444008360 /nfs/dbraw/zinc/00/83/60/444008360.db2.gz NFGRPTRYWFYXHN-LLVKDONJSA-N 1 1 345.446 1.703 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285707471 444079658 /nfs/dbraw/zinc/07/96/58/444079658.db2.gz JDHVQYGPIDIRMZ-JKSUJKDBSA-N 1 1 333.388 1.459 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568465154 321292209 /nfs/dbraw/zinc/29/22/09/321292209.db2.gz PQEOHKCQVSDHCY-GFCCVEGCSA-N 1 1 344.375 1.467 20 5 EDBDMO Nc1c([N+](=O)[O-])cnn1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000289302771 444101552 /nfs/dbraw/zinc/10/15/52/444101552.db2.gz AENYMYKHHSEAIK-CQSZACIVSA-N 1 1 331.376 1.665 20 5 EDBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000285873288 444136398 /nfs/dbraw/zinc/13/63/98/444136398.db2.gz QIPZWBAGACDAFQ-GPPYNADXSA-N 1 1 345.399 1.930 20 5 EDBDMO O=c1nc([C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289437454 444143963 /nfs/dbraw/zinc/14/39/63/444143963.db2.gz OENBSQIKAWYWEE-NSHDSACASA-N 1 1 333.348 1.265 20 5 EDBDMO COC(=O)c1cc(NC[C@H](C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000301241376 444157258 /nfs/dbraw/zinc/15/72/58/444157258.db2.gz OKPPJCXGIYSXDD-LBPRGKRZSA-N 1 1 336.392 1.429 20 5 EDBDMO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(N)=O)N1CC[NH+](C)CC1 ZINC000301343088 444165340 /nfs/dbraw/zinc/16/53/40/444165340.db2.gz GEKAXCKYZGZVDU-INIZCTEOSA-N 1 1 349.435 1.378 20 5 EDBDMO Cc1c(CC(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000285989922 444169995 /nfs/dbraw/zinc/16/99/95/444169995.db2.gz YIFIHLKXJBZYAB-HZPDHXFCSA-N 1 1 333.388 1.377 20 5 EDBDMO Cn1ccnc1[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000289715063 444194443 /nfs/dbraw/zinc/19/44/43/444194443.db2.gz JIKLHEGPGKPEFO-HNNXBMFYSA-N 1 1 326.360 1.973 20 5 EDBDMO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c2cccc([N+](=O)[O-])c2n1 ZINC000302040364 444201787 /nfs/dbraw/zinc/20/17/87/444201787.db2.gz WEFNGADLJYNRIP-CVEARBPZSA-N 1 1 328.372 1.971 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000305161404 444261707 /nfs/dbraw/zinc/26/17/07/444261707.db2.gz FOWYOENXELMLLX-RDTXWAMCSA-N 1 1 349.431 1.813 20 5 EDBDMO C[C@@H]1CN(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000305161404 444261710 /nfs/dbraw/zinc/26/17/10/444261710.db2.gz FOWYOENXELMLLX-RDTXWAMCSA-N 1 1 349.431 1.813 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(c2cc(F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000302824399 444226117 /nfs/dbraw/zinc/22/61/17/444226117.db2.gz WVOOKZHVIIFENB-LLVKDONJSA-N 1 1 325.340 1.808 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(c2cc(F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000302824399 444226120 /nfs/dbraw/zinc/22/61/20/444226120.db2.gz WVOOKZHVIIFENB-LLVKDONJSA-N 1 1 325.340 1.808 20 5 EDBDMO CCN1CCC([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303997992 444239200 /nfs/dbraw/zinc/23/92/00/444239200.db2.gz PWKPLJVZSXJJNQ-INIZCTEOSA-N 1 1 337.420 1.751 20 5 EDBDMO CC[NH+]1CCC(N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303997992 444239207 /nfs/dbraw/zinc/23/92/07/444239207.db2.gz 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CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000580046780 322001097 /nfs/dbraw/zinc/00/10/97/322001097.db2.gz XQHQNIWLLYMVAO-LLVKDONJSA-N 1 1 335.360 1.532 20 5 EDBDMO CN(C)c1[nH+]cc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C ZINC000581007971 322123687 /nfs/dbraw/zinc/12/36/87/322123687.db2.gz PRKFJWMPZNBHEE-UHFFFAOYSA-N 1 1 345.407 1.112 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000332610648 444522112 /nfs/dbraw/zinc/52/21/12/444522112.db2.gz UJQMEDYEHMYLFT-ZDUSSCGKSA-N 1 1 339.417 1.680 20 5 EDBDMO Cc1nn(C)c(C(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000340844136 444538138 /nfs/dbraw/zinc/53/81/38/444538138.db2.gz JKTLKCMZEHEVQU-UHFFFAOYSA-N 1 1 332.364 1.455 20 5 EDBDMO CC[N@H+]1CCC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000342244751 444585377 /nfs/dbraw/zinc/58/53/77/444585377.db2.gz GMSZIYAKAOHJDG-AWEZNQCLSA-N 1 1 348.403 1.315 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338385301 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PUPXGIAEZWKKFG-ZDUSSCGKSA-N 1 1 341.433 1.926 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000356736280 445978213 /nfs/dbraw/zinc/97/82/13/445978213.db2.gz AOEJAONLIUZZEO-WCQYABFASA-N 1 1 333.392 1.417 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361884242 446038605 /nfs/dbraw/zinc/03/86/05/446038605.db2.gz IFHBRHFVOZXKLX-WCQYABFASA-N 1 1 348.403 1.749 20 5 EDBDMO CCCCOC[C@@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365306903 446137509 /nfs/dbraw/zinc/13/75/09/446137509.db2.gz MZCXFIQAVYAQHI-ZFWWWQNUSA-N 1 1 326.397 1.606 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000366595447 446274267 /nfs/dbraw/zinc/27/42/67/446274267.db2.gz KQOGOJZZXMJYFR-QGZVFWFLSA-N 1 1 333.388 1.918 20 5 EDBDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000366619746 446283422 /nfs/dbraw/zinc/28/34/22/446283422.db2.gz JARMEXYVNVIPTF-SRCQZFHVSA-N 1 1 346.387 1.476 20 5 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C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000412098975 446858812 /nfs/dbraw/zinc/85/88/12/446858812.db2.gz VXEWEYASKLWDBZ-OCCSQVGLSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000412098975 446858819 /nfs/dbraw/zinc/85/88/19/446858819.db2.gz VXEWEYASKLWDBZ-OCCSQVGLSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412266953 446916072 /nfs/dbraw/zinc/91/60/72/446916072.db2.gz FLDUJCKVHBVFSN-VBNZEHGJSA-N 1 1 333.388 1.223 20 5 EDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@@H]2C1 ZINC000425063120 447010370 /nfs/dbraw/zinc/01/03/70/447010370.db2.gz FEYSLARSJRAKIU-GXFFZTMASA-N 1 1 333.344 1.490 20 5 EDBDMO Cc1nn(CCC(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000368658574 447012402 /nfs/dbraw/zinc/01/24/02/447012402.db2.gz MDXXJNUBZPAKMF-DOMZBBRYSA-N 1 1 349.435 1.883 20 5 EDBDMO O=C(CC[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000375740717 447014965 /nfs/dbraw/zinc/01/49/65/447014965.db2.gz GHIHEFAAHGCJBX-HOTGVXAUSA-N 1 1 349.387 1.803 20 5 EDBDMO O=C(CC[N@H+]1CCOC[C@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000375740717 447014970 /nfs/dbraw/zinc/01/49/70/447014970.db2.gz GHIHEFAAHGCJBX-HOTGVXAUSA-N 1 1 349.387 1.803 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000421007440 446981957 /nfs/dbraw/zinc/98/19/57/446981957.db2.gz HLPOESVCTTUYAN-YPMHNXCESA-N 1 1 337.376 1.777 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000455151715 447065126 /nfs/dbraw/zinc/06/51/26/447065126.db2.gz AANYOOJSIPWLAO-AWEZNQCLSA-N 1 1 336.392 1.872 20 5 EDBDMO O=C1NCCN1[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000368804101 447118812 /nfs/dbraw/zinc/11/88/12/447118812.db2.gz FJAIHHNICSPNRW-ZDUSSCGKSA-N 1 1 334.376 1.463 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000421372717 447144209 /nfs/dbraw/zinc/14/42/09/447144209.db2.gz LPEXWATZBAELBQ-WCQYABFASA-N 1 1 338.360 1.492 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000377483756 447154927 /nfs/dbraw/zinc/15/49/27/447154927.db2.gz GAQUCIUPEUXLBQ-UHFFFAOYSA-N 1 1 330.344 1.255 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000377483756 447154931 /nfs/dbraw/zinc/15/49/31/447154931.db2.gz GAQUCIUPEUXLBQ-UHFFFAOYSA-N 1 1 330.344 1.255 20 5 EDBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425440287 447163346 /nfs/dbraw/zinc/16/33/46/447163346.db2.gz DQKMCHFVPWRBOZ-PRHODGIISA-N 1 1 342.193 1.972 20 5 EDBDMO CCOC(=O)c1ccnc(NCC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000413437232 447180845 /nfs/dbraw/zinc/18/08/45/447180845.db2.gz JWAMQVTVBCGQEU-LBPRGKRZSA-N 1 1 336.392 2.310 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](c2nc[nH]n2)C1 ZINC000425550292 447225426 /nfs/dbraw/zinc/22/54/26/447225426.db2.gz OYHVJSFBFHBTEY-MNOVXSKESA-N 1 1 330.348 1.529 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C[C@H]2CCC[N@H+]2C)c1F ZINC000421715533 447229449 /nfs/dbraw/zinc/22/94/49/447229449.db2.gz YAUJEFIGNWPJCH-LLVKDONJSA-N 1 1 339.367 1.838 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000421741344 447237417 /nfs/dbraw/zinc/23/74/17/447237417.db2.gz OFIXIUVUAIGYFE-UHFFFAOYSA-N 1 1 334.420 1.579 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000415495573 447478473 /nfs/dbraw/zinc/47/84/73/447478473.db2.gz FTUJLIAAJYQSPQ-AWEZNQCLSA-N 1 1 326.328 1.769 20 5 EDBDMO O=[N+]([O-])c1ccc2nc(NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)ccc2c1 ZINC000450787807 447576547 /nfs/dbraw/zinc/57/65/47/447576547.db2.gz GFNNWDQXIIINBD-GASCZTMLSA-N 1 1 328.372 2.418 20 5 EDBDMO CNC(=O)c1ccc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000450789765 447577307 /nfs/dbraw/zinc/57/73/07/447577307.db2.gz JSMKOJJXPBJJBT-BETUJISGSA-N 1 1 334.376 1.230 20 5 EDBDMO NC(=O)NC(=O)OCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000495627740 447530492 /nfs/dbraw/zinc/53/04/92/447530492.db2.gz YCWKOOIYIPKLGV-UHFFFAOYSA-N 1 1 336.348 1.754 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000416568414 447651135 /nfs/dbraw/zinc/65/11/35/447651135.db2.gz XCBZDBKZEGPFAK-ZDUSSCGKSA-N 1 1 341.433 1.913 20 5 EDBDMO C[C@H]([NH3+])[C@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430559482 447778824 /nfs/dbraw/zinc/77/88/24/447778824.db2.gz XHGRQLAHDDMHKN-STQMWFEESA-N 1 1 348.403 1.952 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000486929464 447826585 /nfs/dbraw/zinc/82/65/85/447826585.db2.gz DABQWFKGXMXUEH-NEPJUHHUSA-N 1 1 347.375 1.536 20 5 EDBDMO C[C@H]1C[C@H](Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC[N@H+]1C ZINC000524688767 447940526 /nfs/dbraw/zinc/94/05/26/447940526.db2.gz HTLPALCSSPNRLC-VHSXEESVSA-N 1 1 328.394 1.137 20 5 EDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000524720818 447942848 /nfs/dbraw/zinc/94/28/48/447942848.db2.gz AVSXNEAAHBSBPR-ZDUSSCGKSA-N 1 1 343.387 1.852 20 5 EDBDMO COc1ccc(CC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000525540229 448003740 /nfs/dbraw/zinc/00/37/40/448003740.db2.gz NCJWOUWIXGMGCI-JSGCOSHPSA-N 1 1 335.404 1.945 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000525536234 448003892 /nfs/dbraw/zinc/00/38/92/448003892.db2.gz MYKYSUHVJCCVNX-JQWIXIFHSA-N 1 1 335.360 1.736 20 5 EDBDMO C[N@H+]1CC[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000525729346 448017833 /nfs/dbraw/zinc/01/78/33/448017833.db2.gz FIHMDODZAYCHQZ-ZDUSSCGKSA-N 1 1 333.388 1.916 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000507314446 448139537 /nfs/dbraw/zinc/13/95/37/448139537.db2.gz AGVJPCXVKSJUIG-SECBINFHSA-N 1 1 333.797 1.539 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000507314446 448139544 /nfs/dbraw/zinc/13/95/44/448139544.db2.gz AGVJPCXVKSJUIG-SECBINFHSA-N 1 1 333.797 1.539 20 5 EDBDMO CNS(=O)(=O)[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000527054797 448148253 /nfs/dbraw/zinc/14/82/53/448148253.db2.gz AYZIYSLIGKAXNP-LDCOFTPGSA-N 1 1 339.417 1.622 20 5 EDBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000527054797 448148255 /nfs/dbraw/zinc/14/82/55/448148255.db2.gz AYZIYSLIGKAXNP-LDCOFTPGSA-N 1 1 339.417 1.622 20 5 EDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000571620430 448180222 /nfs/dbraw/zinc/18/02/22/448180222.db2.gz FBNWDTMZBSVZJE-CYBMUJFWSA-N 1 1 348.403 1.703 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000571620430 448180226 /nfs/dbraw/zinc/18/02/26/448180226.db2.gz FBNWDTMZBSVZJE-CYBMUJFWSA-N 1 1 348.403 1.703 20 5 EDBDMO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1n[nH]c3ccc([N+](=O)[O-])cc31)CC2 ZINC000557662831 448187233 /nfs/dbraw/zinc/18/72/33/448187233.db2.gz GNOQDWGRFUGCNL-SNVBAGLBSA-N 1 1 340.343 2.177 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492764102 448283759 /nfs/dbraw/zinc/28/37/59/448283759.db2.gz PBKDAOJFZRKQLK-QIAWRQBBSA-N 1 1 347.415 1.912 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1nnc2n1CCCC2 ZINC000577654008 448353670 /nfs/dbraw/zinc/35/36/70/448353670.db2.gz CQJKWNKZGCGXIF-GFCCVEGCSA-N 1 1 347.375 1.052 20 5 EDBDMO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000572393831 448367587 /nfs/dbraw/zinc/36/75/87/448367587.db2.gz ZSBHEBCYGODABE-HUUCEWRRSA-N 1 1 337.420 1.656 20 5 EDBDMO CCC[N@H+]1CC[C@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000572393831 448367590 /nfs/dbraw/zinc/36/75/90/448367590.db2.gz ZSBHEBCYGODABE-HUUCEWRRSA-N 1 1 337.420 1.656 20 5 EDBDMO CNc1nccc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000584182186 448474209 /nfs/dbraw/zinc/47/42/09/448474209.db2.gz TVWLIWGFRMRPBZ-CYBMUJFWSA-N 1 1 347.419 1.835 20 5 EDBDMO Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000573137997 448553259 /nfs/dbraw/zinc/55/32/59/448553259.db2.gz CFXGBFWXHZWMHT-OCCSQVGLSA-N 1 1 341.371 1.200 20 5 EDBDMO CNC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130337 448700862 /nfs/dbraw/zinc/70/08/62/448700862.db2.gz CPWLQICANCKLRV-SHTZXODSSA-N 1 1 335.404 1.836 20 5 EDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000579152200 448728226 /nfs/dbraw/zinc/72/82/26/448728226.db2.gz OQXHVCNIQNTCBH-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000579152200 448728230 /nfs/dbraw/zinc/72/82/30/448728230.db2.gz OQXHVCNIQNTCBH-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000579494614 448810102 /nfs/dbraw/zinc/81/01/02/448810102.db2.gz UHMLCLFBKNTRBZ-CYBMUJFWSA-N 1 1 338.408 2.300 20 5 EDBDMO Cn1c2cc(NC[C@H]3CC[N@H+](C4CC4)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587178314 448836297 /nfs/dbraw/zinc/83/62/97/448836297.db2.gz HDWYGJMFULFAEJ-LLVKDONJSA-N 1 1 345.403 1.681 20 5 EDBDMO C[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@H+]1C ZINC000587985128 448850323 /nfs/dbraw/zinc/85/03/23/448850323.db2.gz WNLCQOIVXWROEG-QWRGUYRKSA-N 1 1 333.392 1.680 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCCN(C[C@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000592495825 448863526 /nfs/dbraw/zinc/86/35/26/448863526.db2.gz QWUBMYKGFUONFW-ZDUSSCGKSA-N 1 1 344.419 1.593 20 5 EDBDMO NC(=O)C[C@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000588977225 448957341 /nfs/dbraw/zinc/95/73/41/448957341.db2.gz KAHXJOVXWPOOBI-LLVKDONJSA-N 1 1 348.359 1.090 20 5 EDBDMO Cc1nn(C)c(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000521231786 448966524 /nfs/dbraw/zinc/96/65/24/448966524.db2.gz YFLXVTCRJBWZTO-UHFFFAOYSA-N 1 1 337.424 1.829 20 5 EDBDMO CN1C[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000575369731 449085787 /nfs/dbraw/zinc/08/57/87/449085787.db2.gz LXNNBFYLDWZRLK-AWEZNQCLSA-N 1 1 346.387 1.037 20 5 EDBDMO CN1C[C@@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000575369731 449085791 /nfs/dbraw/zinc/08/57/91/449085791.db2.gz LXNNBFYLDWZRLK-AWEZNQCLSA-N 1 1 346.387 1.037 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608847 449076752 /nfs/dbraw/zinc/07/67/52/449076752.db2.gz XKOMULORIBRLDA-ZDUSSCGKSA-N 1 1 344.375 1.455 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608847 449076755 /nfs/dbraw/zinc/07/67/55/449076755.db2.gz XKOMULORIBRLDA-ZDUSSCGKSA-N 1 1 344.375 1.455 20 5 EDBDMO C[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1CCO ZINC000595706086 449126138 /nfs/dbraw/zinc/12/61/38/449126138.db2.gz XJRHGBFZEDGQBT-BBRMVZONSA-N 1 1 347.415 1.967 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCCC1 ZINC000592994532 449096386 /nfs/dbraw/zinc/09/63/86/449096386.db2.gz BPKGAGPLHLLBMT-UHFFFAOYSA-N 1 1 334.376 1.478 20 5 EDBDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593046602 449112705 /nfs/dbraw/zinc/11/27/05/449112705.db2.gz PPFZWJDYTLSWBU-IAGOWNOFSA-N 1 1 348.378 1.955 20 5 EDBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1CCO ZINC000595691515 449120784 /nfs/dbraw/zinc/12/07/84/449120784.db2.gz BXGOSMFXOODHFM-KFWWJZLASA-N 1 1 338.404 1.817 20 5 EDBDMO CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000597945011 449154403 /nfs/dbraw/zinc/15/44/03/449154403.db2.gz GKBDSDKARMXSBI-INIZCTEOSA-N 1 1 343.387 1.947 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600036698 449155900 /nfs/dbraw/zinc/15/59/00/449155900.db2.gz VZOBPXWKCRDXBQ-ZDUSSCGKSA-N 1 1 348.403 1.690 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000590443326 449164715 /nfs/dbraw/zinc/16/47/15/449164715.db2.gz IFLQTXDFEMDOIC-HIFRSBDPSA-N 1 1 333.388 1.835 20 5 EDBDMO CC[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000611092308 449167063 /nfs/dbraw/zinc/16/70/63/449167063.db2.gz OVEYYMUKKVIKFQ-LBPRGKRZSA-N 1 1 336.392 1.568 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595758999 449151907 /nfs/dbraw/zinc/15/19/07/449151907.db2.gz OKISOHPXZLEQMF-SJCJKPOMSA-N 1 1 349.387 1.900 20 5 EDBDMO COc1c(C(=O)N2CC[NH+](CCCF)CC2)cccc1[N+](=O)[O-] ZINC000600076537 449175506 /nfs/dbraw/zinc/17/55/06/449175506.db2.gz OKVJXHAAFSWTMS-UHFFFAOYSA-N 1 1 325.340 1.721 20 5 EDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593745101 449176905 /nfs/dbraw/zinc/17/69/05/449176905.db2.gz VTIRWKQGWCBWJC-RYUDHWBXSA-N 1 1 339.367 1.190 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593745101 449176910 /nfs/dbraw/zinc/17/69/10/449176910.db2.gz VTIRWKQGWCBWJC-RYUDHWBXSA-N 1 1 339.367 1.190 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595834989 449197091 /nfs/dbraw/zinc/19/70/91/449197091.db2.gz UBHIKDANZHYTRI-NEPJUHHUSA-N 1 1 335.360 1.510 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595834989 449197094 /nfs/dbraw/zinc/19/70/94/449197094.db2.gz UBHIKDANZHYTRI-NEPJUHHUSA-N 1 1 335.360 1.510 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000604239847 449197140 /nfs/dbraw/zinc/19/71/40/449197140.db2.gz PKAQBPIGMQDJMG-ZIAGYGMSSA-N 1 1 329.360 1.828 20 5 EDBDMO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000604239847 449197143 /nfs/dbraw/zinc/19/71/43/449197143.db2.gz PKAQBPIGMQDJMG-ZIAGYGMSSA-N 1 1 329.360 1.828 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000604239847 449197147 /nfs/dbraw/zinc/19/71/47/449197147.db2.gz PKAQBPIGMQDJMG-ZIAGYGMSSA-N 1 1 329.360 1.828 20 5 EDBDMO O=C(CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595864939 449216052 /nfs/dbraw/zinc/21/60/52/449216052.db2.gz XSPKMSBXKBAKIG-CQSZACIVSA-N 1 1 348.403 1.064 20 5 EDBDMO CN(c1ccccc1)[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595829139 449192466 /nfs/dbraw/zinc/19/24/66/449192466.db2.gz WWANDUPMLVFZCQ-DOTOQJQBSA-N 1 1 345.403 1.363 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC(C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000590567708 449194750 /nfs/dbraw/zinc/19/47/50/449194750.db2.gz CKVLDTDEKZGDGR-UHFFFAOYSA-N 1 1 328.372 1.911 20 5 EDBDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C(=O)N1c1cnn(C)c1 ZINC000611498279 449310040 /nfs/dbraw/zinc/31/00/40/449310040.db2.gz DQJGNEHTCORNRR-ZUZCIYMTSA-N 1 1 347.350 1.751 20 5 EDBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593545788 449338534 /nfs/dbraw/zinc/33/85/34/449338534.db2.gz VVUAJPJMFOYPKA-GFCCVEGCSA-N 1 1 342.421 1.533 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598453082 449402540 /nfs/dbraw/zinc/40/25/40/449402540.db2.gz OETSOXGLUWCPGW-LLVKDONJSA-N 1 1 325.390 1.328 20 5 EDBDMO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000600526783 449426660 /nfs/dbraw/zinc/42/66/60/449426660.db2.gz LZQYBGMVVOLJDY-GFCCVEGCSA-N 1 1 335.385 1.606 20 5 EDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000600526783 449426666 /nfs/dbraw/zinc/42/66/66/449426666.db2.gz LZQYBGMVVOLJDY-GFCCVEGCSA-N 1 1 335.385 1.606 20 5 EDBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC(C[NH+]2CCOCC2)C1 ZINC000596239251 449433269 /nfs/dbraw/zinc/43/32/69/449433269.db2.gz DPLWQOQFIXOPDE-UHFFFAOYSA-N 1 1 328.372 1.911 20 5 EDBDMO COC(=O)c1ccnc(NCCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000598600691 449485979 /nfs/dbraw/zinc/48/59/79/449485979.db2.gz WSFVDRNFBHUZQQ-UHFFFAOYSA-N 1 1 333.348 2.174 20 5 EDBDMO Cc1ccc(S(=O)(=O)NCC2=CC[N@@H+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000598606845 449489782 /nfs/dbraw/zinc/48/97/82/449489782.db2.gz KGWBCEZJGRIGFD-UHFFFAOYSA-N 1 1 339.417 1.752 20 5 EDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594482713 449547124 /nfs/dbraw/zinc/54/71/24/449547124.db2.gz CTFRSEYAWDSGIN-STQMWFEESA-N 1 1 339.417 1.890 20 5 EDBDMO C[C@H](CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000598895905 449634045 /nfs/dbraw/zinc/63/40/45/449634045.db2.gz ARVXHMWWEBFVGD-LLVKDONJSA-N 1 1 349.391 1.315 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCO[C@@H](Cn4cncn4)C3)c2c1 ZINC000601114747 449698466 /nfs/dbraw/zinc/69/84/66/449698466.db2.gz UGEQMQIICGHLBA-CYBMUJFWSA-N 1 1 340.343 1.640 20 5 EDBDMO COCCC[N@@H+](C)CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601119800 449701398 /nfs/dbraw/zinc/70/13/98/449701398.db2.gz WFVXPXUWQGUAJE-UHFFFAOYSA-N 1 1 339.318 1.727 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000602793750 449813534 /nfs/dbraw/zinc/81/35/34/449813534.db2.gz KLYFPNQZVUFWHJ-UHFFFAOYSA-N 1 1 345.403 1.623 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000602793750 449813543 /nfs/dbraw/zinc/81/35/43/449813543.db2.gz KLYFPNQZVUFWHJ-UHFFFAOYSA-N 1 1 345.403 1.623 20 5 EDBDMO CCn1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000594971887 449824968 /nfs/dbraw/zinc/82/49/68/449824968.db2.gz SDMDHUDEUPYQFK-UHFFFAOYSA-N 1 1 341.375 1.897 20 5 EDBDMO CC1(C)CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CC[N@@H+]1CCO ZINC000614895409 449863902 /nfs/dbraw/zinc/86/39/02/449863902.db2.gz SHIZYDCHKJWUHS-UHFFFAOYSA-N 1 1 346.387 1.605 20 5 EDBDMO CC1(C)CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CC[N@H+]1CCO ZINC000614895409 449863906 /nfs/dbraw/zinc/86/39/06/449863906.db2.gz SHIZYDCHKJWUHS-UHFFFAOYSA-N 1 1 346.387 1.605 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595089827 449865166 /nfs/dbraw/zinc/86/51/66/449865166.db2.gz MVEYCHYVOCKYCH-LBPRGKRZSA-N 1 1 348.403 1.831 20 5 EDBDMO COC(=O)[C@]12C[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000602873290 449881220 /nfs/dbraw/zinc/88/12/20/449881220.db2.gz IQTFZAGGUZISHE-CZUORRHYSA-N 1 1 336.392 1.765 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000602887621 449894506 /nfs/dbraw/zinc/89/45/06/449894506.db2.gz IRCNSWSGJKHFTR-MCIONIFRSA-N 1 1 336.392 1.882 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000601400015 449916099 /nfs/dbraw/zinc/91/60/99/449916099.db2.gz WFFIRYPVHQADQS-UHFFFAOYSA-N 1 1 333.385 1.661 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000601439697 449961357 /nfs/dbraw/zinc/96/13/57/449961357.db2.gz IZIDFJBRVKKHNV-LLVKDONJSA-N 1 1 328.394 1.095 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000601439697 449961362 /nfs/dbraw/zinc/96/13/62/449961362.db2.gz IZIDFJBRVKKHNV-LLVKDONJSA-N 1 1 328.394 1.095 20 5 EDBDMO COCCO[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000615140444 449976084 /nfs/dbraw/zinc/97/60/84/449976084.db2.gz MEAICCJCEFLHMX-ZDUSSCGKSA-N 1 1 338.360 1.603 20 5 EDBDMO COCCO[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000615140444 449976091 /nfs/dbraw/zinc/97/60/91/449976091.db2.gz MEAICCJCEFLHMX-ZDUSSCGKSA-N 1 1 338.360 1.603 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601474761 449998196 /nfs/dbraw/zinc/99/81/96/449998196.db2.gz SRHWOTFKDWNPEC-LLVKDONJSA-N 1 1 347.462 1.975 20 5 EDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000609268795 449996196 /nfs/dbraw/zinc/99/61/96/449996196.db2.gz BWPYPYKZUSFVCD-GFCCVEGCSA-N 1 1 346.387 1.917 20 5 EDBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000609467502 450032867 /nfs/dbraw/zinc/03/28/67/450032867.db2.gz QTOXWSZSJLUWSS-UKRRQHHQSA-N 1 1 348.403 1.900 20 5 EDBDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC000595333829 450048657 /nfs/dbraw/zinc/04/86/57/450048657.db2.gz UMSQYMCQEGFHJM-CHWSQXEVSA-N 1 1 325.365 1.643 20 5 EDBDMO COc1cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000603087032 450056640 /nfs/dbraw/zinc/05/66/40/450056640.db2.gz NIDXSXCKILYHRT-MEBBXXQBSA-N 1 1 344.314 1.814 20 5 EDBDMO COc1cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000603087032 450056647 /nfs/dbraw/zinc/05/66/47/450056647.db2.gz NIDXSXCKILYHRT-MEBBXXQBSA-N 1 1 344.314 1.814 20 5 EDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)N(C)C ZINC000609845773 450104074 /nfs/dbraw/zinc/10/40/74/450104074.db2.gz OLDCWBAQUIYJMJ-UHFFFAOYSA-N 1 1 336.392 1.642 20 5 EDBDMO CC(=O)NCC(=O)N1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000599623723 450110317 /nfs/dbraw/zinc/11/03/17/450110317.db2.gz WIHLIWHHKUACQB-CYBMUJFWSA-N 1 1 348.403 1.326 20 5 EDBDMO CC(=O)NCC(=O)N1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000599623723 450110322 /nfs/dbraw/zinc/11/03/22/450110322.db2.gz WIHLIWHHKUACQB-CYBMUJFWSA-N 1 1 348.403 1.326 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599640253 450121048 /nfs/dbraw/zinc/12/10/48/450121048.db2.gz SGCQNJYVNZKULS-SUMWQHHRSA-N 1 1 333.388 1.936 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599640253 450121052 /nfs/dbraw/zinc/12/10/52/450121052.db2.gz SGCQNJYVNZKULS-SUMWQHHRSA-N 1 1 333.388 1.936 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000610239964 450158155 /nfs/dbraw/zinc/15/81/55/450158155.db2.gz OEMMJMGOJDFYLS-JKSUJKDBSA-N 1 1 333.388 1.574 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000610615069 450273368 /nfs/dbraw/zinc/27/33/68/450273368.db2.gz NLAPWXJQLHGADN-GFCCVEGCSA-N 1 1 327.406 1.623 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610615069 450273373 /nfs/dbraw/zinc/27/33/73/450273373.db2.gz NLAPWXJQLHGADN-GFCCVEGCSA-N 1 1 327.406 1.623 20 5 EDBDMO COc1ccccc1C[N@H+](CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159805687 534067022 /nfs/dbraw/zinc/06/70/22/534067022.db2.gz ADSKLBHMQVZLBO-UHFFFAOYSA-N 1 1 347.371 1.260 20 5 EDBDMO COc1ccccc1C[N@@H+](CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159805687 534067026 /nfs/dbraw/zinc/06/70/26/534067026.db2.gz ADSKLBHMQVZLBO-UHFFFAOYSA-N 1 1 347.371 1.260 20 5 EDBDMO 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ZINC000823993516 593903150 /nfs/dbraw/zinc/90/31/50/593903150.db2.gz GUGSCBFXRHWSNC-UHFFFAOYSA-N 1 1 325.394 1.347 20 5 EDBDMO CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000821329104 594019098 /nfs/dbraw/zinc/01/90/98/594019098.db2.gz VFHOAPATJQSYDT-FPMFFAJLSA-N 1 1 346.387 1.332 20 5 EDBDMO CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000821329104 594019099 /nfs/dbraw/zinc/01/90/99/594019099.db2.gz VFHOAPATJQSYDT-FPMFFAJLSA-N 1 1 346.387 1.332 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831486203 594641107 /nfs/dbraw/zinc/64/11/07/594641107.db2.gz OVXLTRSLFWFAGP-UHFFFAOYSA-N 1 1 347.350 1.113 20 5 EDBDMO C/C(=C\C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000841457143 594903747 /nfs/dbraw/zinc/90/37/47/594903747.db2.gz ORIOAEZLBSHELF-XEZFYOOLSA-N 1 1 347.415 1.912 20 5 EDBDMO C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843347684 595082003 /nfs/dbraw/zinc/08/20/03/595082003.db2.gz XDFYJADIPYSLJS-LBPRGKRZSA-N 1 1 338.383 1.994 20 5 EDBDMO C[NH2+]C[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843347684 595082007 /nfs/dbraw/zinc/08/20/07/595082007.db2.gz XDFYJADIPYSLJS-LBPRGKRZSA-N 1 1 338.383 1.994 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000843792771 595187853 /nfs/dbraw/zinc/18/78/53/595187853.db2.gz WEJHBOZMLMEAMR-UHFFFAOYSA-N 1 1 336.348 1.979 20 5 EDBDMO COc1cc(Cc2noc(C[NH2+]C[C@H]3CCCO3)n2)ccc1[N+](=O)[O-] ZINC000843191715 595302295 /nfs/dbraw/zinc/30/22/95/595302295.db2.gz KWUKJHCKLQEHKD-GFCCVEGCSA-N 1 1 348.359 1.846 20 5 EDBDMO O=[N+]([O-])c1ccc(CN2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000846875377 595330591 /nfs/dbraw/zinc/33/05/91/595330591.db2.gz GFUNBYZTIFZBCR-UHFFFAOYSA-N 1 1 332.320 1.548 20 5 EDBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000848351725 595366677 /nfs/dbraw/zinc/36/66/77/595366677.db2.gz GKAHDDDVBCIQAD-PMPSAXMXSA-N 1 1 333.388 1.761 20 5 EDBDMO C[N@@H+](C[C@H]1CCOC1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479762 595390188 /nfs/dbraw/zinc/39/01/88/595390188.db2.gz BDHFKESULBHPCZ-CJNGLKHVSA-N 1 1 333.388 1.837 20 5 EDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857767462 595601501 /nfs/dbraw/zinc/60/15/01/595601501.db2.gz DLQLQWIZAGITQO-ZDUSSCGKSA-N 1 1 347.293 1.726 20 5 EDBDMO C[N@H+](C[C@@H]1COCCO1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000853558045 595802569 /nfs/dbraw/zinc/80/25/69/595802569.db2.gz PZDMUCBIHNDVCQ-MRXNPFEDSA-N 1 1 332.360 1.763 20 5 EDBDMO C[N@@H+](C[C@@H]1COCCO1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000853558045 595802573 /nfs/dbraw/zinc/80/25/73/595802573.db2.gz PZDMUCBIHNDVCQ-MRXNPFEDSA-N 1 1 332.360 1.763 20 5 EDBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CN1CC[NH+](C)CC1 ZINC000111548249 595867035 /nfs/dbraw/zinc/86/70/35/595867035.db2.gz IIGXIZJSKUEMJW-UHFFFAOYSA-N 1 1 340.811 1.454 20 5 EDBDMO Cc1noc(COC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1[N+](=O)[O-] ZINC000853901695 595917154 /nfs/dbraw/zinc/91/71/54/595917154.db2.gz HZPVCYSVZUDVNY-CYBMUJFWSA-N 1 1 341.364 1.728 20 5 EDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853966988 595936382 /nfs/dbraw/zinc/93/63/82/595936382.db2.gz ZOUURESTQVUNHE-HNNXBMFYSA-N 1 1 333.388 1.833 20 5 EDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000852315287 596122652 /nfs/dbraw/zinc/12/26/52/596122652.db2.gz XUJGBEYEXZRGKW-NSHDSACASA-N 1 1 332.320 1.617 20 5 EDBDMO Cc1ccc(CNC(=O)NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000868647264 596258972 /nfs/dbraw/zinc/25/89/72/596258972.db2.gz GANVQIYCXNSKOX-UHFFFAOYSA-N 1 1 336.392 1.425 20 5 EDBDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000121233607 596342318 /nfs/dbraw/zinc/34/23/18/596342318.db2.gz SAVZPNBXOIUHIN-UHFFFAOYSA-N 1 1 340.811 1.454 20 5 EDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000862791045 596412971 /nfs/dbraw/zinc/41/29/71/596412971.db2.gz BNLMIMIFWBJPFK-AWEZNQCLSA-N 1 1 349.387 1.634 20 5 EDBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000119084212 596415940 /nfs/dbraw/zinc/41/59/40/596415940.db2.gz XPEFIQNMUWXFJB-XHDPSFHLSA-N 1 1 336.392 1.110 20 5 EDBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000119084212 596415941 /nfs/dbraw/zinc/41/59/41/596415941.db2.gz XPEFIQNMUWXFJB-XHDPSFHLSA-N 1 1 336.392 1.110 20 5 EDBDMO COc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])n3C)CC[NH2+]2)cc1 ZINC000870137408 596766460 /nfs/dbraw/zinc/76/64/60/596766460.db2.gz UMTXAWMBIFJTAL-AWEZNQCLSA-N 1 1 344.371 1.729 20 5 EDBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCN(C)CC1 ZINC000866219608 596832126 /nfs/dbraw/zinc/83/21/26/596832126.db2.gz SZCHZXPXDDJGGM-CQSZACIVSA-N 1 1 338.427 1.892 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000872664679 597019794 /nfs/dbraw/zinc/01/97/94/597019794.db2.gz NVSZEAOGAJGWPS-HUUCEWRRSA-N 1 1 339.417 1.593 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC[C@H]21 ZINC000872725587 597047410 /nfs/dbraw/zinc/04/74/10/597047410.db2.gz UTIHBHDDMLEOIW-WCQYABFASA-N 1 1 344.371 1.174 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)CC[C@@H]21 ZINC000872725947 597047932 /nfs/dbraw/zinc/04/79/32/597047932.db2.gz KGELCFVRFLODKV-GJZGRUSLSA-N 1 1 342.403 1.837 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000876751446 597321733 /nfs/dbraw/zinc/32/17/33/597321733.db2.gz QHQAEKBTJALFGW-LBPRGKRZSA-N 1 1 327.406 1.335 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000876751446 597321734 /nfs/dbraw/zinc/32/17/34/597321734.db2.gz QHQAEKBTJALFGW-LBPRGKRZSA-N 1 1 327.406 1.335 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)Cn2cc(C[NH+]3CCCCC3)nn2)c1 ZINC000881411145 597606634 /nfs/dbraw/zinc/60/66/34/597606634.db2.gz VCYJEDNXUSFXGY-INIZCTEOSA-N 1 1 331.376 1.906 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879580270 597642208 /nfs/dbraw/zinc/64/22/08/597642208.db2.gz GNANREPEAALKPB-QLFBSQMISA-N 1 1 335.404 1.361 20 5 EDBDMO CNC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000879758357 597713414 /nfs/dbraw/zinc/71/34/14/597713414.db2.gz PLVNVYGZFZOKRU-QGZVFWFLSA-N 1 1 343.383 1.876 20 5 EDBDMO CNC(=O)C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000879758357 597713419 /nfs/dbraw/zinc/71/34/19/597713419.db2.gz PLVNVYGZFZOKRU-QGZVFWFLSA-N 1 1 343.383 1.876 20 5 EDBDMO CNC(=O)NC[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000879334809 597889797 /nfs/dbraw/zinc/88/97/97/597889797.db2.gz NGFQJSHRWTVBMZ-CQSZACIVSA-N 1 1 336.392 1.757 20 5 EDBDMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000883893606 597933211 /nfs/dbraw/zinc/93/32/11/597933211.db2.gz OCJCKIAABCSEOT-INIZCTEOSA-N 1 1 347.419 1.521 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000882483460 597972326 /nfs/dbraw/zinc/97/23/26/597972326.db2.gz ATLKASGNTJUFDG-CQSZACIVSA-N 1 1 329.360 1.605 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1ccncc1 ZINC001031514149 697195350 /nfs/dbraw/zinc/19/53/50/697195350.db2.gz DMOXPBLBURCZLI-UHFFFAOYSA-N 1 1 326.356 1.852 20 5 EDBDMO Cn1cccc1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001031552963 697238376 /nfs/dbraw/zinc/23/83/76/697238376.db2.gz PQGSHZPYLVBDOG-UHFFFAOYSA-N 1 1 328.372 1.795 20 5 EDBDMO COc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC001005379761 708842212 /nfs/dbraw/zinc/84/22/12/708842212.db2.gz VOXWCAIZZYFCBL-IAGOWNOFSA-N 1 1 347.415 1.783 20 5 EDBDMO O=C(NC1CC[NH+](CCC2CCOCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789248 709383755 /nfs/dbraw/zinc/38/37/55/709383755.db2.gz SVAYGDWUXINYJE-HUUCEWRRSA-N 1 1 325.409 1.049 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]CCc2cccs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034645814 710322178 /nfs/dbraw/zinc/32/21/78/710322178.db2.gz WPQTWZROLIQYSN-QHSBEEBCSA-N 1 1 337.445 1.973 20 5 EDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@@H]1O ZINC000181473849 529961145 /nfs/dbraw/zinc/96/11/45/529961145.db2.gz GCIJHZHTEMIRNX-QRTARXTBSA-N 1 1 338.404 1.817 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000066140540 215015908 /nfs/dbraw/zinc/01/59/08/215015908.db2.gz PNNJJXRSSHZYLF-GFCCVEGCSA-N 1 1 339.392 1.829 20 5 EDBDMO CC1(C)CC[N@@H+](CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000561155476 306283003 /nfs/dbraw/zinc/28/30/03/306283003.db2.gz KYQQPIPKDBGOEY-UHFFFAOYSA-N 1 1 346.431 1.975 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000090553945 138279537 /nfs/dbraw/zinc/27/95/37/138279537.db2.gz RCQINCUOVKSFKA-OAHLLOKOSA-N 1 1 328.372 1.943 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000186945569 236073834 /nfs/dbraw/zinc/07/38/34/236073834.db2.gz FFCHTCSTRCWTFH-LLVKDONJSA-N 1 1 336.392 1.094 20 5 EDBDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072875631 216322300 /nfs/dbraw/zinc/32/23/00/216322300.db2.gz SZWHWWNZXCAIQT-CQSZACIVSA-N 1 1 332.404 1.728 20 5 EDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C1 ZINC000565711841 306389393 /nfs/dbraw/zinc/38/93/93/306389393.db2.gz ILWIJIHYLQDWSY-GXFFZTMASA-N 1 1 333.344 1.490 20 5 EDBDMO Cc1sc(C(=O)N(C)CCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000110866508 220072993 /nfs/dbraw/zinc/07/29/93/220072993.db2.gz VBHZPBRZDSTPPO-UHFFFAOYSA-N 1 1 340.449 1.674 20 5 EDBDMO CCOCC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000110924315 220081869 /nfs/dbraw/zinc/08/18/69/220081869.db2.gz GVCWZFJQYXVPMQ-UHFFFAOYSA-N 1 1 337.376 1.154 20 5 EDBDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000245570774 139079817 /nfs/dbraw/zinc/07/98/17/139079817.db2.gz BAJYDMRIFBXXHA-ILXRZTDVSA-N 1 1 337.376 1.025 20 5 EDBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000245570774 139079818 /nfs/dbraw/zinc/07/98/18/139079818.db2.gz BAJYDMRIFBXXHA-ILXRZTDVSA-N 1 1 337.376 1.025 20 5 EDBDMO C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000247072155 139134244 /nfs/dbraw/zinc/13/42/44/139134244.db2.gz WQBGAQPDRCKBMD-IIAWOOMASA-N 1 1 337.420 1.749 20 5 EDBDMO C[C@@H]1C[C@H](N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000247072155 139134249 /nfs/dbraw/zinc/13/42/49/139134249.db2.gz WQBGAQPDRCKBMD-IIAWOOMASA-N 1 1 337.420 1.749 20 5 EDBDMO C[C@@H]1C[C@H](N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000247072155 139134250 /nfs/dbraw/zinc/13/42/50/139134250.db2.gz WQBGAQPDRCKBMD-IIAWOOMASA-N 1 1 337.420 1.749 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000247107634 139135898 /nfs/dbraw/zinc/13/58/98/139135898.db2.gz OZAPJLOPPFMYJF-SWLSCSKDSA-N 1 1 346.387 1.476 20 5 EDBDMO C[C@H](C[S@](C)=O)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248489734 139166025 /nfs/dbraw/zinc/16/60/25/139166025.db2.gz NCOIETUKSPPLLL-GHIWOLQHSA-N 1 1 330.406 1.033 20 5 EDBDMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC(C)(CO)CO ZINC000425428481 252306036 /nfs/dbraw/zinc/30/60/36/252306036.db2.gz VYWLSOPYWKMPQK-UHFFFAOYSA-N 1 1 347.209 1.780 20 5 EDBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC(C)(CO)CO ZINC000425428481 252306039 /nfs/dbraw/zinc/30/60/39/252306039.db2.gz VYWLSOPYWKMPQK-UHFFFAOYSA-N 1 1 347.209 1.780 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH+]2CCOCC2)c1 ZINC000114368994 220670309 /nfs/dbraw/zinc/67/03/09/220670309.db2.gz GAAMQQGOLHEFPX-GFCCVEGCSA-N 1 1 337.376 1.444 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000488712470 255050113 /nfs/dbraw/zinc/05/01/13/255050113.db2.gz AOPSYMGHWWFDAG-VXGBXAGGSA-N 1 1 337.376 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000488712470 255050115 /nfs/dbraw/zinc/05/01/15/255050115.db2.gz AOPSYMGHWWFDAG-VXGBXAGGSA-N 1 1 337.376 1.635 20 5 EDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000493216954 255197452 /nfs/dbraw/zinc/19/74/52/255197452.db2.gz IVTTVSVRKOAZRD-AJHXJQRKSA-N 1 1 333.388 1.571 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494682197 255257866 /nfs/dbraw/zinc/25/78/66/255257866.db2.gz OWKKXDYQRMULBP-CQSZACIVSA-N 1 1 333.344 1.350 20 5 EDBDMO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cn[nH]c1 ZINC000494685406 255257898 /nfs/dbraw/zinc/25/78/98/255257898.db2.gz NEVVDFMWRMFNTP-MRVPVSSYSA-N 1 1 333.304 1.336 20 5 EDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347379969 533382890 /nfs/dbraw/zinc/38/28/90/533382890.db2.gz RQFLBFRGQSSKNE-PINLSGDHSA-N 1 1 339.417 1.751 20 5 EDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347379969 533382894 /nfs/dbraw/zinc/38/28/94/533382894.db2.gz RQFLBFRGQSSKNE-PINLSGDHSA-N 1 1 339.417 1.751 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)c1 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JJKRTARHTHPDNH-UHFFFAOYSA-N 1 1 334.376 1.665 20 5 EDBDMO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000331285659 141003681 /nfs/dbraw/zinc/00/36/81/141003681.db2.gz NAPRDUUVMRZABM-UHFFFAOYSA-N 1 1 341.433 1.995 20 5 EDBDMO CC1(C)CCC[N@@H+](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000331285659 141003682 /nfs/dbraw/zinc/00/36/82/141003682.db2.gz NAPRDUUVMRZABM-UHFFFAOYSA-N 1 1 341.433 1.995 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[N@@H+](C)C1 ZINC000345133250 143055215 /nfs/dbraw/zinc/05/52/15/143055215.db2.gz OVEFVCWXDJSMQE-STQMWFEESA-N 1 1 333.392 1.622 20 5 EDBDMO Cc1noc([C@@H]2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000346242479 143182787 /nfs/dbraw/zinc/18/27/87/143182787.db2.gz OGXNFYYJOAWMHA-OCCSQVGLSA-N 1 1 348.359 1.515 20 5 EDBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000416494637 304324334 /nfs/dbraw/zinc/32/43/34/304324334.db2.gz JAALKFIRCBHEIB-GFCCVEGCSA-N 1 1 327.406 1.008 20 5 EDBDMO 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Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000108406313 441452376 /nfs/dbraw/zinc/45/23/76/441452376.db2.gz UDFZMOCWERVCEZ-GFCCVEGCSA-N 1 1 327.406 1.523 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108406697 441452892 /nfs/dbraw/zinc/45/28/92/441452892.db2.gz OBWWTDYRWOYFBH-LBPRGKRZSA-N 1 1 341.433 1.777 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108561085 441465007 /nfs/dbraw/zinc/46/50/07/441465007.db2.gz VNHXSFVGGDILJZ-AWEZNQCLSA-N 1 1 348.403 1.887 20 5 EDBDMO NC(=O)c1cc([N+](=O)[O-])cn(Cc2cn3cc(Cl)ccc3[nH+]2)c1=O ZINC000031811717 441539649 /nfs/dbraw/zinc/53/96/49/441539649.db2.gz GERKTHDHAMKFHG-UHFFFAOYSA-N 1 1 347.718 1.205 20 5 EDBDMO C[NH+]1CCN(C(=O)CC2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000066860313 441576363 /nfs/dbraw/zinc/57/63/63/441576363.db2.gz QMOBXDFIZHLDGG-UHFFFAOYSA-N 1 1 346.431 1.975 20 5 EDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC(CO)CC1 ZINC000089924641 441595204 /nfs/dbraw/zinc/59/52/04/441595204.db2.gz FOYFBEOTIAWUJA-UHFFFAOYSA-N 1 1 347.415 1.967 20 5 EDBDMO COC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000114063953 441633072 /nfs/dbraw/zinc/63/30/72/441633072.db2.gz UMRKBKROZYTLTJ-LLVKDONJSA-N 1 1 335.360 1.225 20 5 EDBDMO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000114063953 441633074 /nfs/dbraw/zinc/63/30/74/441633074.db2.gz UMRKBKROZYTLTJ-LLVKDONJSA-N 1 1 335.360 1.225 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000090615337 441639100 /nfs/dbraw/zinc/63/91/00/441639100.db2.gz NMSGNJOZJNICOU-OAHLLOKOSA-N 1 1 336.779 1.864 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000090615337 441639103 /nfs/dbraw/zinc/63/91/03/441639103.db2.gz NMSGNJOZJNICOU-OAHLLOKOSA-N 1 1 336.779 1.864 20 5 EDBDMO NC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000055356951 441644433 /nfs/dbraw/zinc/64/44/33/441644433.db2.gz TXXSYMNBXDZHNM-UHFFFAOYSA-N 1 1 329.360 1.505 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000067703277 441668880 /nfs/dbraw/zinc/66/88/80/441668880.db2.gz NVYLQKWZMIKADY-CYBMUJFWSA-N 1 1 347.371 1.738 20 5 EDBDMO CCN1CC[NH+](CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068117109 441736201 /nfs/dbraw/zinc/73/62/01/441736201.db2.gz PRIOIDXMDXAXIN-RMKNXTFCSA-N 1 1 346.431 1.752 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1C ZINC000173410052 441740013 /nfs/dbraw/zinc/74/00/13/441740013.db2.gz GHOZECIGXLQOJV-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000173410052 441740018 /nfs/dbraw/zinc/74/00/18/441740018.db2.gz GHOZECIGXLQOJV-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000115585466 441762741 /nfs/dbraw/zinc/76/27/41/441762741.db2.gz ARHAYMPMUVOCDH-GFCCVEGCSA-N 1 1 327.406 1.557 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000173505715 441772088 /nfs/dbraw/zinc/77/20/88/441772088.db2.gz YDABGLGVEXKACB-ZDUSSCGKSA-N 1 1 337.376 1.535 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000173505715 441772095 /nfs/dbraw/zinc/77/20/95/441772095.db2.gz YDABGLGVEXKACB-ZDUSSCGKSA-N 1 1 337.376 1.535 20 5 EDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000137574889 441774370 /nfs/dbraw/zinc/77/43/70/441774370.db2.gz ZJNBFVRHBSLYHW-LBPRGKRZSA-N 1 1 329.360 1.462 20 5 EDBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000173529832 441779749 /nfs/dbraw/zinc/77/97/49/441779749.db2.gz ZRUVHEMDWXACRW-HNNXBMFYSA-N 1 1 337.401 1.371 20 5 EDBDMO C[NH+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116712929 441836522 /nfs/dbraw/zinc/83/65/22/441836522.db2.gz XEPMQKMZNNKPFX-UHFFFAOYSA-N 1 1 327.768 1.791 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000078293486 441915724 /nfs/dbraw/zinc/91/57/24/441915724.db2.gz HTVGXRMGDYJPGB-UHFFFAOYSA-N 1 1 333.377 1.364 20 5 EDBDMO COc1cc(CCNC(=O)C[N@@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000144317337 441881219 /nfs/dbraw/zinc/88/12/19/441881219.db2.gz ZXNHHGRHNKGVHC-UHFFFAOYSA-N 1 1 339.392 1.611 20 5 EDBDMO CC(C)[N@H+]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000069082404 441886571 /nfs/dbraw/zinc/88/65/71/441886571.db2.gz BAHSSUHHHGHIRJ-UHFFFAOYSA-N 1 1 334.420 1.974 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1(C(N)=O)CCCC1 ZINC000120154044 442017372 /nfs/dbraw/zinc/01/73/72/442017372.db2.gz KGDAEGGNTIPIOW-UHFFFAOYSA-N 1 1 348.403 1.962 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000175934523 442149812 /nfs/dbraw/zinc/14/98/12/442149812.db2.gz DJZYYYQGODURSM-UHFFFAOYSA-N 1 1 346.387 1.396 20 5 EDBDMO COc1cc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000127160775 442176955 /nfs/dbraw/zinc/17/69/55/442176955.db2.gz ICBDXSDAUFRJGJ-PHIMTYICSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000127160775 442176958 /nfs/dbraw/zinc/17/69/58/442176958.db2.gz ICBDXSDAUFRJGJ-PHIMTYICSA-N 1 1 337.376 1.777 20 5 EDBDMO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 ZINC000176236875 442197896 /nfs/dbraw/zinc/19/78/96/442197896.db2.gz ZOGXTZWXEMROMP-GFCCVEGCSA-N 1 1 330.410 1.081 20 5 EDBDMO CCCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 ZINC000176236875 442197900 /nfs/dbraw/zinc/19/79/00/442197900.db2.gz ZOGXTZWXEMROMP-GFCCVEGCSA-N 1 1 330.410 1.081 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000127951258 442236138 /nfs/dbraw/zinc/23/61/38/442236138.db2.gz XXNMPQUOGUDJPM-LBPRGKRZSA-N 1 1 335.408 1.828 20 5 EDBDMO CNC(=O)CC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000170792648 442265167 /nfs/dbraw/zinc/26/51/67/442265167.db2.gz BOAXCNVSSZSHFQ-SNVBAGLBSA-N 1 1 333.348 1.774 20 5 EDBDMO CNC(=O)CC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000170792648 442265169 /nfs/dbraw/zinc/26/51/69/442265169.db2.gz BOAXCNVSSZSHFQ-SNVBAGLBSA-N 1 1 333.348 1.774 20 5 EDBDMO COC(=O)c1cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177054454 442291375 /nfs/dbraw/zinc/29/13/75/442291375.db2.gz OEYQQMYHKLQLEF-ZWNOBZJWSA-N 1 1 347.371 1.736 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171127772 442316805 /nfs/dbraw/zinc/31/68/05/442316805.db2.gz JYBDCHZMJCCDNT-UHFFFAOYSA-N 1 1 347.375 1.089 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000133591805 442425622 /nfs/dbraw/zinc/42/56/22/442425622.db2.gz GCUNWXJZUSOPEO-WCQYABFASA-N 1 1 346.387 1.066 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000133591609 442425783 /nfs/dbraw/zinc/42/57/83/442425783.db2.gz GCUNWXJZUSOPEO-DGCLKSJQSA-N 1 1 346.387 1.066 20 5 EDBDMO CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000156538418 442491272 /nfs/dbraw/zinc/49/12/72/442491272.db2.gz MOMRJHBGSYAPRN-JSGCOSHPSA-N 1 1 348.403 1.722 20 5 EDBDMO Cc1n[nH]c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000156667640 442507284 /nfs/dbraw/zinc/50/72/84/442507284.db2.gz PFAFWSVGJAFPAU-FZMZJTMJSA-N 1 1 343.387 1.877 20 5 EDBDMO CC(=O)N1CC[C@H](C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000156419307 442478709 /nfs/dbraw/zinc/47/87/09/442478709.db2.gz NDTUQCBXBJKCGX-CQSZACIVSA-N 1 1 348.403 1.724 20 5 EDBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000180275506 442572527 /nfs/dbraw/zinc/57/25/27/442572527.db2.gz HPXJAOQAEQSVSM-UHFFFAOYSA-N 1 1 338.389 1.811 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180532412 442617085 /nfs/dbraw/zinc/61/70/85/442617085.db2.gz IBDBATJLHJWWLC-GFCCVEGCSA-N 1 1 335.408 1.956 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186868090 442623384 /nfs/dbraw/zinc/62/33/84/442623384.db2.gz XGVPARRIUVHVPK-RISCZKNCSA-N 1 1 337.376 1.635 20 5 EDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187712160 442687896 /nfs/dbraw/zinc/68/78/96/442687896.db2.gz NXOIUTYXIJLXMW-AWEZNQCLSA-N 1 1 337.420 1.880 20 5 EDBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000181345316 442691633 /nfs/dbraw/zinc/69/16/33/442691633.db2.gz WTXMLGALIXMYGG-ZDUSSCGKSA-N 1 1 348.403 1.255 20 5 EDBDMO CCc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000181382809 442693983 /nfs/dbraw/zinc/69/39/83/442693983.db2.gz SYAYQLOHYOHXEC-MRXNPFEDSA-N 1 1 343.387 1.677 20 5 EDBDMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000193822808 442794515 /nfs/dbraw/zinc/79/45/15/442794515.db2.gz VPKYUEQURJGHJK-GFCCVEGCSA-N 1 1 327.406 1.666 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000193822808 442794518 /nfs/dbraw/zinc/79/45/18/442794518.db2.gz 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Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000249212559 442960387 /nfs/dbraw/zinc/96/03/87/442960387.db2.gz SRCBIWLCUCVRAU-DOMZBBRYSA-N 1 1 348.403 1.640 20 5 EDBDMO CC[NH+]1CCN(C(=O)CNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000195164578 442991781 /nfs/dbraw/zinc/99/17/81/442991781.db2.gz AZYLVJDJYPFOAF-UHFFFAOYSA-N 1 1 334.376 1.373 20 5 EDBDMO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)C1CC1 ZINC000268878615 443135670 /nfs/dbraw/zinc/13/56/70/443135670.db2.gz XCOWHZRNEZPSEU-IAGOWNOFSA-N 1 1 333.432 1.962 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000266496740 443146510 /nfs/dbraw/zinc/14/65/10/443146510.db2.gz WMTMUECJZHMMIP-CQSZACIVSA-N 1 1 349.366 1.114 20 5 EDBDMO C[C@]1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000261981994 443178524 /nfs/dbraw/zinc/17/85/24/443178524.db2.gz AMSPFDGANOTPAF-ZDUSSCGKSA-N 1 1 331.369 1.402 20 5 EDBDMO C[C@@H](O)C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000190868912 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WWUMHKUHMIORTB-WBVHZDCISA-N 1 1 345.403 1.074 20 5 EDBDMO COC(=O)COc1ccc(CNC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000353761872 445743451 /nfs/dbraw/zinc/74/34/51/445743451.db2.gz FGDLIFFOFAWVTI-CYBMUJFWSA-N 1 1 337.376 1.330 20 5 EDBDMO COC(=O)COc1ccc(CNC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000353761872 445743454 /nfs/dbraw/zinc/74/34/54/445743454.db2.gz FGDLIFFOFAWVTI-CYBMUJFWSA-N 1 1 337.376 1.330 20 5 EDBDMO Cn1cc(C[C@@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000363306747 445759579 /nfs/dbraw/zinc/75/95/79/445759579.db2.gz LCEBERYIAMKPMZ-ZDUSSCGKSA-N 1 1 343.387 1.831 20 5 EDBDMO Cn1cc(C[C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000363306747 445759584 /nfs/dbraw/zinc/75/95/84/445759584.db2.gz LCEBERYIAMKPMZ-ZDUSSCGKSA-N 1 1 343.387 1.831 20 5 EDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000353996751 445845450 /nfs/dbraw/zinc/84/54/50/445845450.db2.gz IMBISFBCMPLXFM-ZDUSSCGKSA-N 1 1 343.387 1.947 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358969400 445867682 /nfs/dbraw/zinc/86/76/82/445867682.db2.gz ANWUDRMFXKXLNS-UHFFFAOYSA-N 1 1 347.318 1.504 20 5 EDBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000359021783 445892965 /nfs/dbraw/zinc/89/29/65/445892965.db2.gz BEZZYDPBEWILPI-NSHDSACASA-N 1 1 348.407 1.999 20 5 EDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000356765314 445995559 /nfs/dbraw/zinc/99/55/59/445995559.db2.gz KEZVELVFUSIPMD-LBPRGKRZSA-N 1 1 336.392 1.170 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000373090901 446021539 /nfs/dbraw/zinc/02/15/39/446021539.db2.gz BNQAQVZKRSHKJW-UKRRQHHQSA-N 1 1 333.388 1.574 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354284181 446081076 /nfs/dbraw/zinc/08/10/76/446081076.db2.gz WOQDCYIXHHTSKE-JTQLQIEISA-N 1 1 341.389 1.118 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000354284181 446081080 /nfs/dbraw/zinc/08/10/80/446081080.db2.gz WOQDCYIXHHTSKE-JTQLQIEISA-N 1 1 341.389 1.118 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000366227977 446094013 /nfs/dbraw/zinc/09/40/13/446094013.db2.gz VSTQYLMROOXGSC-GFCCVEGCSA-N 1 1 331.419 1.373 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000366230641 446095627 /nfs/dbraw/zinc/09/56/27/446095627.db2.gz RTSYFZDCZVBVOD-AWEZNQCLSA-N 1 1 325.390 1.311 20 5 EDBDMO CC[N@@H+](CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)C ZINC000351496999 446101373 /nfs/dbraw/zinc/10/13/73/446101373.db2.gz VFNBTRYYXYKLNY-UHFFFAOYSA-N 1 1 340.355 1.519 20 5 EDBDMO Cc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000369409060 446116558 /nfs/dbraw/zinc/11/65/58/446116558.db2.gz ORPLPOXIMRGCMW-ZDUSSCGKSA-N 1 1 328.372 1.972 20 5 EDBDMO Cc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000369409060 446116561 /nfs/dbraw/zinc/11/65/61/446116561.db2.gz ORPLPOXIMRGCMW-ZDUSSCGKSA-N 1 1 328.372 1.972 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000351596499 446193198 /nfs/dbraw/zinc/19/31/98/446193198.db2.gz IOCHWUXTUBBGNR-UHFFFAOYSA-N 1 1 338.339 1.227 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362075187 446194990 /nfs/dbraw/zinc/19/49/90/446194990.db2.gz HVHVGOGCFFPPBV-VXGBXAGGSA-N 1 1 337.376 1.492 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000366595437 446274760 /nfs/dbraw/zinc/27/47/60/446274760.db2.gz KQOGOJZZXMJYFR-KRWDZBQOSA-N 1 1 333.388 1.918 20 5 EDBDMO CCc1noc([C@]2(O)CC[N@H+](Cc3ccc([N+](=O)[O-])cc3OC)C2)n1 ZINC000366756851 446336171 /nfs/dbraw/zinc/33/61/71/446336171.db2.gz LUCLMXWIMCNDQT-INIZCTEOSA-N 1 1 348.359 1.642 20 5 EDBDMO CCc1noc([C@]2(O)CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3OC)C2)n1 ZINC000366756851 446336176 /nfs/dbraw/zinc/33/61/76/446336176.db2.gz LUCLMXWIMCNDQT-INIZCTEOSA-N 1 1 348.359 1.642 20 5 EDBDMO O=C(C[N@@H+]1CC[C@@](O)(C2CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000365841091 446365673 /nfs/dbraw/zinc/36/56/73/446365673.db2.gz YABUBIQJBHVTKY-KRWDZBQOSA-N 1 1 331.372 1.331 20 5 EDBDMO Cc1nn(C)c(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000376203870 446378999 /nfs/dbraw/zinc/37/89/99/446378999.db2.gz TWMOHYZAKGWMAU-CYBMUJFWSA-N 1 1 329.360 1.553 20 5 EDBDMO Cc1nn(C)c(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000376203870 446379006 /nfs/dbraw/zinc/37/90/06/446379006.db2.gz TWMOHYZAKGWMAU-CYBMUJFWSA-N 1 1 329.360 1.553 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000374831166 446410939 /nfs/dbraw/zinc/41/09/39/446410939.db2.gz WXTOVCFWYLSIED-OCCSQVGLSA-N 1 1 349.387 1.587 20 5 EDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000376398527 446474342 /nfs/dbraw/zinc/47/43/42/446474342.db2.gz GYNPUBDQAOEWJZ-HZUKXOBISA-N 1 1 330.388 1.733 20 5 EDBDMO COc1ccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000420329442 446498995 /nfs/dbraw/zinc/49/89/95/446498995.db2.gz GUUPTGLOCKPJOH-BETUJISGSA-N 1 1 348.403 1.473 20 5 EDBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411665964 446638965 /nfs/dbraw/zinc/63/89/65/446638965.db2.gz UIFYHPAEJZBSIY-SWLSCSKDSA-N 1 1 337.376 1.395 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000376864416 446762752 /nfs/dbraw/zinc/76/27/52/446762752.db2.gz NIRUPWMPNPPDEH-FMKPAKJESA-N 1 1 336.388 1.978 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000412048504 446811570 /nfs/dbraw/zinc/81/15/70/446811570.db2.gz QKTYWCPXXQZOLW-YNEHKIRRSA-N 1 1 349.387 1.635 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000412048504 446811574 /nfs/dbraw/zinc/81/15/74/446811574.db2.gz QKTYWCPXXQZOLW-YNEHKIRRSA-N 1 1 349.387 1.635 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000375493265 446846415 /nfs/dbraw/zinc/84/64/15/446846415.db2.gz AXHLCCXWVWYZHB-NSHDSACASA-N 1 1 341.795 1.777 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](C[C@H]4C[C@@H](O)C4)CC3)nc2c1 ZINC000420924727 446894768 /nfs/dbraw/zinc/89/47/68/446894768.db2.gz UIGOFQJAJDDTIR-XBXGTLAGSA-N 1 1 345.403 1.754 20 5 EDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCOC[C@H]1C1CC1 ZINC000375623114 446931406 /nfs/dbraw/zinc/93/14/06/446931406.db2.gz IGLBEELIBBWLDC-KRWDZBQOSA-N 1 1 347.415 1.707 20 5 EDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCOC[C@H]1C1CC1 ZINC000375623114 446931409 /nfs/dbraw/zinc/93/14/09/446931409.db2.gz IGLBEELIBBWLDC-KRWDZBQOSA-N 1 1 347.415 1.707 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](O)CC23CCC3)c1 ZINC000420993681 446970805 /nfs/dbraw/zinc/97/08/05/446970805.db2.gz MCICOTZEJXXLKY-LSDHHAIUSA-N 1 1 336.388 1.714 20 5 EDBDMO CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@@H+]1C 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NC(=O)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000377603437 447237854 /nfs/dbraw/zinc/23/78/54/447237854.db2.gz FZCKHRHHHHABHG-JTQLQIEISA-N 1 1 338.339 1.260 20 5 EDBDMO O=C1NC[C@H]2C[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC[C@@H]12 ZINC000377683926 447292542 /nfs/dbraw/zinc/29/25/42/447292542.db2.gz VKWSIAMXSAUBJX-WCQYABFASA-N 1 1 343.343 1.213 20 5 EDBDMO O=C1NC[C@H]2C[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC[C@@H]12 ZINC000377683926 447292545 /nfs/dbraw/zinc/29/25/45/447292545.db2.gz VKWSIAMXSAUBJX-WCQYABFASA-N 1 1 343.343 1.213 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000372733343 447257367 /nfs/dbraw/zinc/25/73/67/447257367.db2.gz WWEQZUVDAZVMQY-NSHDSACASA-N 1 1 341.795 1.777 20 5 EDBDMO CNC(=O)c1ccc(NC[C@H]2CCC[N@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450589940 447532368 /nfs/dbraw/zinc/53/23/68/447532368.db2.gz DCNSMHPEXNLMHS-CYBMUJFWSA-N 1 1 336.392 1.213 20 5 EDBDMO CC(C)[N@@H+]1CC[C@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 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CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601314101 449823711 /nfs/dbraw/zinc/82/37/11/449823711.db2.gz YRZKOTBXRMOJDE-SNVBAGLBSA-N 1 1 333.435 1.727 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601328776 449837207 /nfs/dbraw/zinc/83/72/07/449837207.db2.gz YVMXRGFXXOUZNQ-NSHDSACASA-N 1 1 347.462 1.975 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000602769483 449794453 /nfs/dbraw/zinc/79/44/53/449794453.db2.gz XPPWTNWCZJRQCJ-UHFFFAOYSA-N 1 1 331.376 1.628 20 5 EDBDMO COc1cc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000614895421 449863646 /nfs/dbraw/zinc/86/36/46/449863646.db2.gz SKQXQTCYHYDCDC-UHFFFAOYSA-N 1 1 337.376 1.132 20 5 EDBDMO COc1cc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000614895421 449863650 /nfs/dbraw/zinc/86/36/50/449863650.db2.gz SKQXQTCYHYDCDC-UHFFFAOYSA-N 1 1 337.376 1.132 20 5 EDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601342788 449852500 /nfs/dbraw/zinc/85/25/00/449852500.db2.gz FJWHPNTWKSPUGB-LLVKDONJSA-N 1 1 345.396 1.805 20 5 EDBDMO C[N@H+]1CCCC[C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000599415441 449960916 /nfs/dbraw/zinc/96/09/16/449960916.db2.gz PAHSTAFJQWMOHV-NSHDSACASA-N 1 1 328.394 1.000 20 5 EDBDMO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595331797 450047578 /nfs/dbraw/zinc/04/75/78/450047578.db2.gz DBWSLKZNLIBBOB-JTQLQIEISA-N 1 1 331.369 1.234 20 5 EDBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595331797 450047580 /nfs/dbraw/zinc/04/75/80/450047580.db2.gz DBWSLKZNLIBBOB-JTQLQIEISA-N 1 1 331.369 1.234 20 5 EDBDMO CCOC[C@@H](O)C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609893294 450112860 /nfs/dbraw/zinc/11/28/60/450112860.db2.gz ZPXUWDJMSYWWRA-ZDUSSCGKSA-N 1 1 343.811 1.768 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000597694512 450202636 /nfs/dbraw/zinc/20/26/36/450202636.db2.gz KSPZWQPJNSQBDZ-LSDHHAIUSA-N 1 1 349.387 1.539 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000597694510 450203099 /nfs/dbraw/zinc/20/30/99/450203099.db2.gz KSPZWQPJNSQBDZ-GJZGRUSLSA-N 1 1 349.387 1.539 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597707408 450210525 /nfs/dbraw/zinc/21/05/25/450210525.db2.gz QFSOWJOYGSTRRR-QGZVFWFLSA-N 1 1 347.415 1.851 20 5 EDBDMO COc1cc([N+](=O)[O-])cn(Cc2[nH+]ccn2CC(F)(F)F)c1=O ZINC000603359017 450262257 /nfs/dbraw/zinc/26/22/57/450262257.db2.gz LMCPAFGYCOSSPY-UHFFFAOYSA-N 1 1 332.238 1.572 20 5 EDBDMO COc1ccc(CC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000610913671 450380029 /nfs/dbraw/zinc/38/00/29/450380029.db2.gz PPGLENPNEYCGHU-CQSZACIVSA-N 1 1 349.387 1.079 20 5 EDBDMO C[C@@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000154953905 533719113 /nfs/dbraw/zinc/71/91/13/533719113.db2.gz XAOGFKZIRNDWBA-LLVKDONJSA-N 1 1 333.392 1.542 20 5 EDBDMO COc1ccccc1[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+](C)C ZINC000043284882 500864180 /nfs/dbraw/zinc/86/41/80/500864180.db2.gz YVDWFJHYCLMXJN-ZDUSSCGKSA-N 1 1 347.375 1.219 20 5 EDBDMO COc1cc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184201764 533810470 /nfs/dbraw/zinc/81/04/70/533810470.db2.gz WMDZTVNIMGSJSS-VXGBXAGGSA-N 1 1 341.383 1.629 20 5 EDBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171708869 534058746 /nfs/dbraw/zinc/05/87/46/534058746.db2.gz JWSRMOPIEDDIGW-CYBMUJFWSA-N 1 1 335.408 1.030 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](CCO)CC3)o2)cc1 ZINC000154563877 534881360 /nfs/dbraw/zinc/88/13/60/534881360.db2.gz VAHKNZLSWKRCKV-UHFFFAOYSA-N 1 1 331.372 1.965 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(CCO)CC3)o2)cc1 ZINC000154563877 534881363 /nfs/dbraw/zinc/88/13/63/534881363.db2.gz VAHKNZLSWKRCKV-UHFFFAOYSA-N 1 1 331.372 1.965 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000174019910 527821991 /nfs/dbraw/zinc/82/19/91/527821991.db2.gz ZKYSYOCVCZMCFB-LBPRGKRZSA-N 1 1 327.406 1.557 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000741725727 579426152 /nfs/dbraw/zinc/42/61/52/579426152.db2.gz SIWRMNAWNGYFIG-WCQYABFASA-N 1 1 335.360 1.385 20 5 EDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000744348267 579508034 /nfs/dbraw/zinc/50/80/34/579508034.db2.gz GENHALZTWGZLKF-GFCCVEGCSA-N 1 1 344.375 1.390 20 5 EDBDMO CC[N@H+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000754224644 579898807 /nfs/dbraw/zinc/89/88/07/579898807.db2.gz MQCVUNFPINPBGB-LBPRGKRZSA-N 1 1 335.360 1.339 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000776589466 580422838 /nfs/dbraw/zinc/42/28/38/580422838.db2.gz SLQINZMTYBAREK-DLBZAZTESA-N 1 1 335.404 1.425 20 5 EDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000778943514 580476182 /nfs/dbraw/zinc/47/61/82/580476182.db2.gz UPFUTBGZGNXIFY-UHFFFAOYSA-N 1 1 325.340 1.263 20 5 EDBDMO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000780353844 580519477 /nfs/dbraw/zinc/51/94/77/580519477.db2.gz IROWDKLFZIWSGH-VHSXEESVSA-N 1 1 327.768 1.889 20 5 EDBDMO C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000780353844 580519478 /nfs/dbraw/zinc/51/94/78/580519478.db2.gz IROWDKLFZIWSGH-VHSXEESVSA-N 1 1 327.768 1.889 20 5 EDBDMO COCC[N@@H+](Cc1ccnn1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000786236870 580664848 /nfs/dbraw/zinc/66/48/48/580664848.db2.gz XHSDAOWRLRYKCO-MRXNPFEDSA-N 1 1 334.376 1.510 20 5 EDBDMO COCC[N@H+](Cc1ccnn1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000786236870 580664849 /nfs/dbraw/zinc/66/48/49/580664849.db2.gz XHSDAOWRLRYKCO-MRXNPFEDSA-N 1 1 334.376 1.510 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000791244960 580787269 /nfs/dbraw/zinc/78/72/69/580787269.db2.gz IHKPUPYEVVWECC-UHFFFAOYSA-N 1 1 344.375 1.346 20 5 EDBDMO CC(C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(=O)N1CCCC1 ZINC000793396507 580843415 /nfs/dbraw/zinc/84/34/15/580843415.db2.gz QFEUUXZLOPBONV-UHFFFAOYSA-N 1 1 349.387 1.952 20 5 EDBDMO COc1c(C(=O)OCC[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000796306667 580950491 /nfs/dbraw/zinc/95/04/91/580950491.db2.gz WDAHAZPQTXHCNW-UHFFFAOYSA-N 1 1 326.374 1.809 20 5 EDBDMO CC(C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000796584383 580957331 /nfs/dbraw/zinc/95/73/31/580957331.db2.gz LQNLUZJCZUDVES-UHFFFAOYSA-N 1 1 334.376 1.184 20 5 EDBDMO C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000893075668 590649505 /nfs/dbraw/zinc/64/95/05/590649505.db2.gz DBWQKKRDEFCZHP-HFTRVMKXSA-N 1 1 348.399 1.734 20 5 EDBDMO COCC[N@@H+]1CCC[C@H]1CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892866573 591207972 /nfs/dbraw/zinc/20/79/72/591207972.db2.gz RUOGPPTYCJHLAJ-ZDUSSCGKSA-N 1 1 339.392 1.509 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892866573 591207975 /nfs/dbraw/zinc/20/79/75/591207975.db2.gz RUOGPPTYCJHLAJ-ZDUSSCGKSA-N 1 1 339.392 1.509 20 5 EDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+](CCF)C1 ZINC000898485157 591372122 /nfs/dbraw/zinc/37/21/22/591372122.db2.gz BIUBRBAFGCCJCK-ZDUSSCGKSA-N 1 1 338.383 1.947 20 5 EDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898485157 591372126 /nfs/dbraw/zinc/37/21/26/591372126.db2.gz BIUBRBAFGCCJCK-ZDUSSCGKSA-N 1 1 338.383 1.947 20 5 EDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCc3ccncc3)CC2)c(F)c1 ZINC000894843024 591439110 /nfs/dbraw/zinc/43/91/10/591439110.db2.gz HPQULXGYPJRDGQ-UHFFFAOYSA-N 1 1 331.351 1.889 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000895150448 591619846 /nfs/dbraw/zinc/61/98/46/591619846.db2.gz AQFIRKNYFWILPH-UHFFFAOYSA-N 1 1 325.413 1.656 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(Cn3cc([N+](=O)[O-])c(-c4ccccn4)n3)C[C@]2(C)C1 ZINC000902616445 592027022 /nfs/dbraw/zinc/02/70/22/592027022.db2.gz FMZQAHDDTXJEAY-DYVFJYSZSA-N 1 1 342.403 1.694 20 5 EDBDMO CO[C@@H]1CC[C@H]1[N@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000902639352 592034287 /nfs/dbraw/zinc/03/42/87/592034287.db2.gz UZJKWKGNUMGLSM-HUUCEWRRSA-N 1 1 334.376 1.904 20 5 EDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000902639352 592034289 /nfs/dbraw/zinc/03/42/89/592034289.db2.gz UZJKWKGNUMGLSM-HUUCEWRRSA-N 1 1 334.376 1.904 20 5 EDBDMO C[NH+](C)CC(N)=NOCc1c(Br)cccc1[N+](=O)[O-] ZINC000902775079 592060866 /nfs/dbraw/zinc/06/08/66/592060866.db2.gz PAYGIFLZGVFHPW-UHFFFAOYSA-N 1 1 331.170 1.917 20 5 EDBDMO COc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)ccc1[N+](=O)[O-] ZINC000903214221 592139973 /nfs/dbraw/zinc/13/99/73/592139973.db2.gz SJXLMFHZHIEAFW-NSHDSACASA-N 1 1 341.389 1.072 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C(C)(C)C1 ZINC000904106408 592427429 /nfs/dbraw/zinc/42/74/29/592427429.db2.gz ZKXNAZYLQNZILE-UHFFFAOYSA-N 1 1 349.387 1.922 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C(C)(C)C1 ZINC000904106408 592427433 /nfs/dbraw/zinc/42/74/33/592427433.db2.gz ZKXNAZYLQNZILE-UHFFFAOYSA-N 1 1 349.387 1.922 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)[C@@H]2C1 ZINC000908346731 592455077 /nfs/dbraw/zinc/45/50/77/592455077.db2.gz HTYUNCMBMSSOML-WCQYABFASA-N 1 1 347.371 1.532 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)C[C@H]2C1 ZINC000907803931 592788567 /nfs/dbraw/zinc/78/85/67/592788567.db2.gz OLDWTCBAPMFWHP-BETUJISGSA-N 1 1 340.383 1.964 20 5 EDBDMO CC(=O)NCC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000805821971 593148432 /nfs/dbraw/zinc/14/84/32/593148432.db2.gz HINDTUOYSFXABY-RHSMWYFYSA-N 1 1 335.404 1.866 20 5 EDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000839392858 593296912 /nfs/dbraw/zinc/29/69/12/593296912.db2.gz RAFRDLFILNFTJW-NSHDSACASA-N 1 1 336.348 1.978 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000839392858 593296914 /nfs/dbraw/zinc/29/69/14/593296914.db2.gz RAFRDLFILNFTJW-NSHDSACASA-N 1 1 336.348 1.978 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000839607262 593348882 /nfs/dbraw/zinc/34/88/82/593348882.db2.gz VKEFTHYONNPBLK-QMTHXVAHSA-N 1 1 338.795 1.823 20 5 EDBDMO C[N@H+]1CC[C@](O)(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809916326 593372384 /nfs/dbraw/zinc/37/23/84/593372384.db2.gz ZHHVCEMNNMISIK-ZDUSSCGKSA-N 1 1 328.756 1.436 20 5 EDBDMO C[NH+](C)[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000823765370 593854001 /nfs/dbraw/zinc/85/40/01/593854001.db2.gz LKVCCCQEBALPGS-HIFRSBDPSA-N 1 1 333.344 1.640 20 5 EDBDMO C[C@@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000820666712 593857578 /nfs/dbraw/zinc/85/75/78/593857578.db2.gz JDTFTTXEPJYQLU-KOLCDFICSA-N 1 1 329.364 1.812 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820750315 593879194 /nfs/dbraw/zinc/87/91/94/593879194.db2.gz ATOLSXOJALAEEQ-XPTSAGLGSA-N 1 1 329.364 1.670 20 5 EDBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820753567 593882227 /nfs/dbraw/zinc/88/22/27/593882227.db2.gz ZHSIVCHFSHWZGA-SKDRFNHKSA-N 1 1 332.368 1.311 20 5 EDBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821057155 593955499 /nfs/dbraw/zinc/95/54/99/593955499.db2.gz MVDNKFKVAPRJNV-HYVNUMGLSA-N 1 1 347.415 1.661 20 5 EDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821088822 593963226 /nfs/dbraw/zinc/96/32/26/593963226.db2.gz XQFOLQXUVHCVJK-GFCCVEGCSA-N 1 1 345.407 1.943 20 5 EDBDMO CC[NH+]1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2NC(C)=O)CC1 ZINC000822121008 593996821 /nfs/dbraw/zinc/99/68/21/593996821.db2.gz CQKXBTWEDGWTRH-UHFFFAOYSA-N 1 1 338.339 1.470 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821268126 594003825 /nfs/dbraw/zinc/00/38/25/594003825.db2.gz UDFQYDIVDFBQOI-GFCCVEGCSA-N 1 1 331.380 1.695 20 5 EDBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000823309978 594183617 /nfs/dbraw/zinc/18/36/17/594183617.db2.gz FGRPJMOQUMNDTA-JTQLQIEISA-N 1 1 338.339 1.516 20 5 EDBDMO C[S@](=O)CC[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000827667849 594254439 /nfs/dbraw/zinc/25/44/39/594254439.db2.gz MICRVNPTAWVSPY-DEOSSOPVSA-N 1 1 348.428 1.644 20 5 EDBDMO COCC[N@@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1C ZINC000826629437 594543149 /nfs/dbraw/zinc/54/31/49/594543149.db2.gz RONJVDAOJFKNMG-PHIMTYICSA-N 1 1 335.364 1.676 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000826636385 594544533 /nfs/dbraw/zinc/54/45/33/594544533.db2.gz UHBIMGGKKMTHPX-OAHLLOKOSA-N 1 1 343.387 1.490 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832125045 594728166 /nfs/dbraw/zinc/72/81/66/594728166.db2.gz YSCGBWKQLQZOTN-UHFFFAOYSA-N 1 1 342.827 1.862 20 5 EDBDMO CN(CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC[NH+](C)C ZINC000832125045 594728167 /nfs/dbraw/zinc/72/81/67/594728167.db2.gz 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C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846515851 595262158 /nfs/dbraw/zinc/26/21/58/595262158.db2.gz QCGQNLICRWSWMM-IYCSXQJISA-N 1 1 331.372 1.276 20 5 EDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846515851 595262160 /nfs/dbraw/zinc/26/21/60/595262160.db2.gz QCGQNLICRWSWMM-IYCSXQJISA-N 1 1 331.372 1.276 20 5 EDBDMO CN(C)c1cc(F)c(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000848034338 595307715 /nfs/dbraw/zinc/30/77/15/595307715.db2.gz YUALKGCJKSEJFB-UHFFFAOYSA-N 1 1 338.383 1.966 20 5 EDBDMO CN(C)c1cc(F)c(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000848034338 595307716 /nfs/dbraw/zinc/30/77/16/595307716.db2.gz YUALKGCJKSEJFB-UHFFFAOYSA-N 1 1 338.383 1.966 20 5 EDBDMO COC1CC[NH+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848476287 595389047 /nfs/dbraw/zinc/38/90/47/595389047.db2.gz YWJQVOCSDKOMLX-MRXNPFEDSA-N 1 1 333.388 1.979 20 5 EDBDMO COC[C@@H]1CC[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848479460 595390230 /nfs/dbraw/zinc/39/02/30/595390230.db2.gz AWEUFFKMGPYLOK-CZUORRHYSA-N 1 1 333.388 1.837 20 5 EDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487071 595393245 /nfs/dbraw/zinc/39/32/45/595393245.db2.gz OCHMVBSIOSUHSX-MRXNPFEDSA-N 1 1 329.360 1.613 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000855289377 595662841 /nfs/dbraw/zinc/66/28/41/595662841.db2.gz QGBBOKUOINQFEF-CYBMUJFWSA-N 1 1 349.387 1.775 20 5 EDBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@]3(CCOC3)C2)nc1-c1ccccn1 ZINC000853502334 595771684 /nfs/dbraw/zinc/77/16/84/595771684.db2.gz XKFGNYPNJANBAL-MRXNPFEDSA-N 1 1 329.360 1.923 20 5 EDBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@]3(CCOC3)C2)nc1-c1ccccn1 ZINC000853502334 595771686 /nfs/dbraw/zinc/77/16/86/595771686.db2.gz XKFGNYPNJANBAL-MRXNPFEDSA-N 1 1 329.360 1.923 20 5 EDBDMO C[N@H+](C[C@@H]1COCCO1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000853557590 595801711 /nfs/dbraw/zinc/80/17/11/595801711.db2.gz MYQOFUVBPIRVSU-GFCCVEGCSA-N 1 1 340.767 1.903 20 5 EDBDMO C[N@@H+](C[C@@H]1COCCO1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000853557590 595801714 /nfs/dbraw/zinc/80/17/14/595801714.db2.gz MYQOFUVBPIRVSU-GFCCVEGCSA-N 1 1 340.767 1.903 20 5 EDBDMO C[C@]12COC[C@H]1C[N@@H+](Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000853565378 595806432 /nfs/dbraw/zinc/80/64/32/595806432.db2.gz DYVFYQRKSXIWJF-CJNGLKHVSA-N 1 1 329.360 1.779 20 5 EDBDMO O=C1CCCN1C[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000853595579 595822901 /nfs/dbraw/zinc/82/29/01/595822901.db2.gz QFRSWAPUMTXIQK-CYBMUJFWSA-N 1 1 343.387 1.846 20 5 EDBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000853595579 595822903 /nfs/dbraw/zinc/82/29/03/595822903.db2.gz QFRSWAPUMTXIQK-CYBMUJFWSA-N 1 1 343.387 1.846 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000860976461 595851420 /nfs/dbraw/zinc/85/14/20/595851420.db2.gz WCAMVJSQUNJIGI-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000860976461 595851422 /nfs/dbraw/zinc/85/14/22/595851422.db2.gz WCAMVJSQUNJIGI-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c2nonc21 ZINC000853965155 595935633 /nfs/dbraw/zinc/93/56/33/595935633.db2.gz FRJGMPVXVLQHIZ-NSHDSACASA-N 1 1 333.348 1.166 20 5 EDBDMO COc1cc(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@H+]2C)ccc1[N+](=O)[O-] ZINC000861345943 595952880 /nfs/dbraw/zinc/95/28/80/595952880.db2.gz ZMAHTWZZBKFNNQ-MLGOLLRUSA-N 1 1 338.360 1.869 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000862133502 596248713 /nfs/dbraw/zinc/24/87/13/596248713.db2.gz RDGSUTMBZOBRRX-OAHLLOKOSA-N 1 1 341.367 1.639 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000862133502 596248716 /nfs/dbraw/zinc/24/87/16/596248716.db2.gz RDGSUTMBZOBRRX-OAHLLOKOSA-N 1 1 341.367 1.639 20 5 EDBDMO C[C@@]([NH3+])(C(=O)N1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870907796 596399005 /nfs/dbraw/zinc/39/90/05/596399005.db2.gz ZRMKISSYXZGCLO-INIZCTEOSA-N 1 1 333.388 1.940 20 5 EDBDMO COC(=O)[C@]1(OC)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000863296112 596541900 /nfs/dbraw/zinc/54/19/00/596541900.db2.gz IRDUIFKVPLIYAX-HNNXBMFYSA-N 1 1 334.332 1.166 20 5 EDBDMO COC(=O)[C@]1(OC)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000863296112 596541902 /nfs/dbraw/zinc/54/19/02/596541902.db2.gz IRDUIFKVPLIYAX-HNNXBMFYSA-N 1 1 334.332 1.166 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867813724 596565490 /nfs/dbraw/zinc/56/54/90/596565490.db2.gz YMTIXLLBFVGXQU-JSGCOSHPSA-N 1 1 339.417 1.618 20 5 EDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000123959249 596806627 /nfs/dbraw/zinc/80/66/27/596806627.db2.gz HSMYKGUZJHLSDE-UWVGGRQHSA-N 1 1 347.824 1.928 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866205998 596826591 /nfs/dbraw/zinc/82/65/91/596826591.db2.gz PXHAXXKYABGXKW-AAEUAGOBSA-N 1 1 334.376 1.697 20 5 EDBDMO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000124027576 596867184 /nfs/dbraw/zinc/86/71/84/596867184.db2.gz VMTVMQKGWDVHAB-RKDXNWHRSA-N 1 1 333.797 1.619 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874362554 597034330 /nfs/dbraw/zinc/03/43/30/597034330.db2.gz AWGJTHPJPAILJI-CABCVRRESA-N 1 1 346.387 1.537 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000878454799 597603036 /nfs/dbraw/zinc/60/30/36/597603036.db2.gz ISUPEXKVMUQIGJ-UHFFFAOYSA-N 1 1 334.298 1.943 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](n3ccnn3)CC2)cc1 ZINC000878941018 597761670 /nfs/dbraw/zinc/76/16/70/597761670.db2.gz JLFMYKGXDQXUGW-ZBFHGGJFSA-N 1 1 331.376 1.947 20 5 EDBDMO CC(C)(C(=O)OCC[NH+]1CCSCC1)n1cc([N+](=O)[O-])cn1 ZINC000127786171 597927678 /nfs/dbraw/zinc/92/76/78/597927678.db2.gz USSJJHHYBXFXOA-UHFFFAOYSA-N 1 1 328.394 1.118 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)c([N+](=O)[O-])c1 ZINC000880529052 597956433 /nfs/dbraw/zinc/95/64/33/597956433.db2.gz ISXZMVIQONVIGV-MLGOLLRUSA-N 1 1 349.387 1.583 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)c([N+](=O)[O-])c1 ZINC000880529052 597956434 /nfs/dbraw/zinc/95/64/34/597956434.db2.gz ISXZMVIQONVIGV-MLGOLLRUSA-N 1 1 349.387 1.583 20 5 EDBDMO Cc1ccc(Cn2cc(C[N@@H+]3CCC[C@H]3CO)nn2)cc1[N+](=O)[O-] ZINC000881212737 598099368 /nfs/dbraw/zinc/09/93/68/598099368.db2.gz SUKFHOBMDQXCKS-HNNXBMFYSA-N 1 1 331.376 1.500 20 5 EDBDMO Cc1ccc(Cn2cc(C[N@H+]3CCC[C@H]3CO)nn2)cc1[N+](=O)[O-] ZINC000881212737 598099372 /nfs/dbraw/zinc/09/93/72/598099372.db2.gz SUKFHOBMDQXCKS-HNNXBMFYSA-N 1 1 331.376 1.500 20 5 EDBDMO CC(=O)OC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000153444172 695721070 /nfs/dbraw/zinc/72/10/70/695721070.db2.gz PKKHRJGLGGKRTO-UHFFFAOYSA-N 1 1 347.371 1.511 20 5 EDBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000916598903 696685172 /nfs/dbraw/zinc/68/51/72/696685172.db2.gz AUSDHYNZSJKBKL-CYBMUJFWSA-N 1 1 349.387 1.613 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000154295023 696953409 /nfs/dbraw/zinc/95/34/09/696953409.db2.gz RXZLMSBIGQLAFI-LLVKDONJSA-N 1 1 345.396 1.662 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000917479255 697024680 /nfs/dbraw/zinc/02/46/80/697024680.db2.gz KCFDFPQCPTXUNK-GFCCVEGCSA-N 1 1 331.332 1.306 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000917479255 697024682 /nfs/dbraw/zinc/02/46/82/697024682.db2.gz KCFDFPQCPTXUNK-GFCCVEGCSA-N 1 1 331.332 1.306 20 5 EDBDMO Cc1conc1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001032107338 698896893 /nfs/dbraw/zinc/89/68/93/698896893.db2.gz CZYLQDNQQZTMGT-UHFFFAOYSA-N 1 1 330.344 1.753 20 5 EDBDMO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC000996429929 702783718 /nfs/dbraw/zinc/78/37/18/702783718.db2.gz XBFPVTCHNFXOEE-HZPDHXFCSA-N 1 1 332.404 1.444 20 5 EDBDMO NC(=O)C1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000029498803 707277162 /nfs/dbraw/zinc/27/71/62/707277162.db2.gz DLXJVLDFNJWBSK-UHFFFAOYSA-N 1 1 330.348 1.008 20 5 EDBDMO Cn1cnc(C(=O)NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC001002747714 709359988 /nfs/dbraw/zinc/35/99/88/709359988.db2.gz FJFKUDKLIKHMOD-UHFFFAOYSA-N 1 1 344.375 1.118 20 5 EDBDMO O=[N+]([O-])c1cnn(CCN2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000174810443 231317234 /nfs/dbraw/zinc/31/72/34/231317234.db2.gz DDDMXJPFRBGLGY-UHFFFAOYSA-N 1 1 345.403 1.488 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000058773402 214604399 /nfs/dbraw/zinc/60/43/99/214604399.db2.gz YBPIFMRDDPDXSY-GFCCVEGCSA-N 1 1 348.403 1.722 20 5 EDBDMO Cc1nn(C)c(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000347339195 282254045 /nfs/dbraw/zinc/25/40/45/282254045.db2.gz NVAKENBWRFMDDO-MEBBXXQBSA-N 1 1 348.363 1.613 20 5 EDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000182476599 529961332 /nfs/dbraw/zinc/96/13/32/529961332.db2.gz MWKMAEDCSWITKA-YCPHGPKFSA-N 1 1 338.404 1.817 20 5 EDBDMO C[N@@H+](CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000102340389 219196666 /nfs/dbraw/zinc/19/66/66/219196666.db2.gz MEXWWRRNCKPFGZ-UHFFFAOYSA-N 1 1 337.424 1.907 20 5 EDBDMO COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067379624 215138123 /nfs/dbraw/zinc/13/81/23/215138123.db2.gz DIWITYBDTUNPES-SWLSCSKDSA-N 1 1 347.371 1.585 20 5 EDBDMO COC(=O)[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067379624 215138125 /nfs/dbraw/zinc/13/81/25/215138125.db2.gz DIWITYBDTUNPES-SWLSCSKDSA-N 1 1 347.371 1.585 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000069129064 215361595 /nfs/dbraw/zinc/36/15/95/215361595.db2.gz FLNOGAUGLFIQQC-LLVKDONJSA-N 1 1 341.433 1.918 20 5 EDBDMO CC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000412836898 304039706 /nfs/dbraw/zinc/03/97/06/304039706.db2.gz JDQUIKVXTDTWSN-LBPRGKRZSA-N 1 1 329.360 1.605 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272386039 283078259 /nfs/dbraw/zinc/07/82/59/283078259.db2.gz ILDIERQRTYGDLO-ZWNOBZJWSA-N 1 1 343.380 1.449 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272386039 283078261 /nfs/dbraw/zinc/07/82/61/283078261.db2.gz ILDIERQRTYGDLO-ZWNOBZJWSA-N 1 1 343.380 1.449 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090461903 138278775 /nfs/dbraw/zinc/27/87/75/138278775.db2.gz OMNGHCDHYDPSIZ-ZBFHGGJFSA-N 1 1 349.387 1.343 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090461903 138278776 /nfs/dbraw/zinc/27/87/76/138278776.db2.gz OMNGHCDHYDPSIZ-ZBFHGGJFSA-N 1 1 349.387 1.343 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124847217 138330182 /nfs/dbraw/zinc/33/01/82/138330182.db2.gz SAHQZDPPLVYQFO-LLVKDONJSA-N 1 1 347.462 1.927 20 5 EDBDMO [NH3+]Cc1nc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000238026964 283531016 /nfs/dbraw/zinc/53/10/16/283531016.db2.gz KJIQMQGXINLMIV-UHFFFAOYSA-N 1 1 347.400 1.472 20 5 EDBDMO Nc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000131346686 223225082 /nfs/dbraw/zinc/22/50/82/223225082.db2.gz TWICGMFZQFLADX-CYBMUJFWSA-N 1 1 336.392 1.144 20 5 EDBDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCOCC2 ZINC000414183485 304104851 /nfs/dbraw/zinc/10/48/51/304104851.db2.gz NGLLZOAEAQITHY-CABCVRRESA-N 1 1 338.408 1.289 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000195090234 139006769 /nfs/dbraw/zinc/00/67/69/139006769.db2.gz TVWXOLQEDLYKIR-CQSZACIVSA-N 1 1 347.371 1.692 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000195090234 139006770 /nfs/dbraw/zinc/00/67/70/139006770.db2.gz TVWXOLQEDLYKIR-CQSZACIVSA-N 1 1 347.371 1.692 20 5 EDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080944080 217342749 /nfs/dbraw/zinc/34/27/49/217342749.db2.gz KOSPIBAEJACDPT-JZLODUJNSA-N 1 1 345.399 1.931 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000246824475 139123258 /nfs/dbraw/zinc/12/32/58/139123258.db2.gz SUGHCCJKNYXZCI-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000246824475 139123259 /nfs/dbraw/zinc/12/32/59/139123259.db2.gz SUGHCCJKNYXZCI-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247474146 139149673 /nfs/dbraw/zinc/14/96/73/139149673.db2.gz RYYUQTPEMRGFQY-FVQBIDKESA-N 1 1 335.404 1.503 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248021246 139157368 /nfs/dbraw/zinc/15/73/68/139157368.db2.gz NVLFQOZZTSJNIK-WMLDXEAASA-N 1 1 333.388 1.821 20 5 EDBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000092843562 218177069 /nfs/dbraw/zinc/17/70/69/218177069.db2.gz HUFGTYRLWUYVRY-FZMZJTMJSA-N 1 1 327.406 1.669 20 5 EDBDMO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000092843562 218177072 /nfs/dbraw/zinc/17/70/72/218177072.db2.gz HUFGTYRLWUYVRY-FZMZJTMJSA-N 1 1 327.406 1.669 20 5 EDBDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000418123679 251335323 /nfs/dbraw/zinc/33/53/23/251335323.db2.gz LOAKUEUNZFDRJO-CQSZACIVSA-N 1 1 335.360 1.157 20 5 EDBDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000418123679 251335326 /nfs/dbraw/zinc/33/53/26/251335326.db2.gz LOAKUEUNZFDRJO-CQSZACIVSA-N 1 1 335.360 1.157 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1C ZINC000265122172 139455262 /nfs/dbraw/zinc/45/52/62/139455262.db2.gz NYUCBUVCMBNXGI-RMKNXTFCSA-N 1 1 329.360 1.724 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000270786644 140169032 /nfs/dbraw/zinc/16/90/32/140169032.db2.gz FMXBIODEOANAQU-LBPRGKRZSA-N 1 1 344.371 1.594 20 5 EDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1O ZINC000270971690 140210833 /nfs/dbraw/zinc/21/08/33/140210833.db2.gz WGQRSNCNYUKGHV-BXUZGUMPSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1cnccn1 ZINC000271325915 140278852 /nfs/dbraw/zinc/27/88/52/140278852.db2.gz KWSITDVTXUOETL-GFCCVEGCSA-N 1 1 329.360 1.886 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCc1cnccn1 ZINC000271325915 140278853 /nfs/dbraw/zinc/27/88/53/140278853.db2.gz KWSITDVTXUOETL-GFCCVEGCSA-N 1 1 329.360 1.886 20 5 EDBDMO Cc1c(C[N@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000331738508 141075344 /nfs/dbraw/zinc/07/53/44/141075344.db2.gz UZSCGAIQVKKOHZ-GOSISDBHSA-N 1 1 347.415 1.853 20 5 EDBDMO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(C)C1=O ZINC000338332328 141788247 /nfs/dbraw/zinc/78/82/47/141788247.db2.gz KLESISSOZNGEJL-AWEZNQCLSA-N 1 1 335.360 1.443 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345924686 143147789 /nfs/dbraw/zinc/14/77/89/143147789.db2.gz ROFGVCNPIUNHSX-NWDGAFQWSA-N 1 1 349.387 1.936 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000347006826 143270445 /nfs/dbraw/zinc/27/04/45/143270445.db2.gz CRXOTMCCLXEOJL-UHIISALHSA-N 1 1 335.360 1.805 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000347006826 143270446 /nfs/dbraw/zinc/27/04/46/143270446.db2.gz CRXOTMCCLXEOJL-UHIISALHSA-N 1 1 335.360 1.805 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000347785942 143363092 /nfs/dbraw/zinc/36/30/92/143363092.db2.gz GLESVKLGWIVOAF-UKRRQHHQSA-N 1 1 335.360 1.149 20 5 EDBDMO CNc1c(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)cccc1[N+](=O)[O-] ZINC000347837416 143369023 /nfs/dbraw/zinc/36/90/23/143369023.db2.gz SVXXDMFSUJYXGZ-LLVKDONJSA-N 1 1 329.360 1.825 20 5 EDBDMO COc1cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352873413 149198101 /nfs/dbraw/zinc/19/81/01/149198101.db2.gz GPHRWNHUCOKPRS-DZGCQCFKSA-N 1 1 335.404 1.898 20 5 EDBDMO COC(=O)COc1ccc(CNCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000353763728 149517693 /nfs/dbraw/zinc/51/76/93/149517693.db2.gz XHVBGSLMOMGRRV-UHFFFAOYSA-N 1 1 337.376 1.332 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000355364398 150235326 /nfs/dbraw/zinc/23/53/26/150235326.db2.gz KSJKEGVUASEEAJ-ZIAGYGMSSA-N 1 1 334.376 1.112 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000355720329 150373746 /nfs/dbraw/zinc/37/37/46/150373746.db2.gz XZEKHSHVYGJRKT-QWHCGFSZSA-N 1 1 341.433 1.492 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000355720329 150373748 /nfs/dbraw/zinc/37/37/48/150373748.db2.gz XZEKHSHVYGJRKT-QWHCGFSZSA-N 1 1 341.433 1.492 20 5 EDBDMO Cc1nc(CN2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC2)oc1C ZINC000370001740 155274332 /nfs/dbraw/zinc/27/43/32/155274332.db2.gz JYVAFDJBVRYUDP-UHFFFAOYSA-N 1 1 348.407 1.604 20 5 EDBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000370104518 155325198 /nfs/dbraw/zinc/32/51/98/155325198.db2.gz JEJSWYWMMJUJRA-OAGGEKHMSA-N 1 1 333.388 1.059 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000370104518 155325200 /nfs/dbraw/zinc/32/52/00/155325200.db2.gz JEJSWYWMMJUJRA-OAGGEKHMSA-N 1 1 333.388 1.059 20 5 EDBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000370104518 155325202 /nfs/dbraw/zinc/32/52/02/155325202.db2.gz JEJSWYWMMJUJRA-OAGGEKHMSA-N 1 1 333.388 1.059 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360467662 152056919 /nfs/dbraw/zinc/05/69/19/152056919.db2.gz 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DPHFWUSWMMPKEV-HOTGVXAUSA-N 1 1 348.403 1.247 20 5 EDBDMO Nc1nc(NCCc2[nH+]ccn2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000301129297 303662199 /nfs/dbraw/zinc/66/21/99/303662199.db2.gz ZDHQWPXWNRZIPY-UHFFFAOYSA-N 1 1 339.359 1.866 20 5 EDBDMO O=[N+]([O-])c1cccc2c(NC[C@H](O)C[NH+]3CCOCC3)ccnc21 ZINC000432338999 305091654 /nfs/dbraw/zinc/09/16/54/305091654.db2.gz YWAGZJABIWXPGP-LBPRGKRZSA-N 1 1 332.360 1.248 20 5 EDBDMO C[C@](O)(CNc1ccnc2c1cccc2[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000432343019 305091926 /nfs/dbraw/zinc/09/19/26/305091926.db2.gz QFEJYVDGHZGHRS-KRWDZBQOSA-N 1 1 346.387 1.638 20 5 EDBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000435042128 305135206 /nfs/dbraw/zinc/13/52/06/305135206.db2.gz LTUZPTVXLCLXFZ-FWVUHSSSSA-N 1 1 344.371 1.672 20 5 EDBDMO COCC[N@H+](Cc1cccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441264604 305219841 /nfs/dbraw/zinc/21/98/41/305219841.db2.gz SFCYTOOOYXEYLG-CYBMUJFWSA-N 1 1 340.405 1.362 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000442144633 305226028 /nfs/dbraw/zinc/22/60/28/305226028.db2.gz IHLYAEQIZGJBDO-WCQYABFASA-N 1 1 334.376 1.441 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000442144630 305226086 /nfs/dbraw/zinc/22/60/86/305226086.db2.gz IHLYAEQIZGJBDO-DGCLKSJQSA-N 1 1 334.376 1.441 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000442144627 305226119 /nfs/dbraw/zinc/22/61/19/305226119.db2.gz IHLYAEQIZGJBDO-AAEUAGOBSA-N 1 1 334.376 1.441 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000442303589 305228537 /nfs/dbraw/zinc/22/85/37/305228537.db2.gz KWGNZVVGRFBXRY-NWDGAFQWSA-N 1 1 334.376 1.393 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000442303589 305228538 /nfs/dbraw/zinc/22/85/38/305228538.db2.gz KWGNZVVGRFBXRY-NWDGAFQWSA-N 1 1 334.376 1.393 20 5 EDBDMO C[C@@H](CC[NH3+])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000447260216 305276626 /nfs/dbraw/zinc/27/66/26/305276626.db2.gz ZTUQPVCVDHDJMT-LURJTMIESA-N 1 1 342.204 1.917 20 5 EDBDMO CC(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448671294 305301067 /nfs/dbraw/zinc/30/10/67/305301067.db2.gz PRODPHARAFLBRI-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451247745 305335385 /nfs/dbraw/zinc/33/53/85/305335385.db2.gz ACOCZMKBUSPKQO-UKRRQHHQSA-N 1 1 333.388 1.577 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@H](O)C[C@H]3[C@@H]3CCCOC3)nc2c1 ZINC000451307094 305337992 /nfs/dbraw/zinc/33/79/92/305337992.db2.gz TZSQMQWLEZSIDU-KFNAQCHYSA-N 1 1 346.387 1.833 20 5 EDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000452370854 305394082 /nfs/dbraw/zinc/39/40/82/305394082.db2.gz GSZJSJXTCWPNSR-GFCCVEGCSA-N 1 1 346.387 1.653 20 5 EDBDMO Cc1nnc([C@H](C)[NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)o1 ZINC000541689865 306046846 /nfs/dbraw/zinc/04/68/46/306046846.db2.gz YUJGJQUYLVNBRY-VIFPVBQESA-N 1 1 347.331 1.935 20 5 EDBDMO C[C@H](CCNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000548955661 306142770 /nfs/dbraw/zinc/14/27/70/306142770.db2.gz MYDDLDYUJSBLER-GFCCVEGCSA-N 1 1 331.376 1.958 20 5 EDBDMO CCOC(=O)c1cc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000057721160 441131403 /nfs/dbraw/zinc/13/14/03/441131403.db2.gz DELJFNLALHXSIH-LLVKDONJSA-N 1 1 349.387 1.984 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000050204189 441377818 /nfs/dbraw/zinc/37/78/18/441377818.db2.gz BECGHGDEOMOGRH-CQSZACIVSA-N 1 1 332.360 1.230 20 5 EDBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000074137638 441398603 /nfs/dbraw/zinc/39/86/03/441398603.db2.gz QEWMJSMBNXQWQM-CQSZACIVSA-N 1 1 334.420 1.137 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000050203992 441377607 /nfs/dbraw/zinc/37/76/07/441377607.db2.gz PVZGHACQLQKQSO-ZDUSSCGKSA-N 1 1 346.387 1.538 20 5 EDBDMO CCOC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000108332397 441446454 /nfs/dbraw/zinc/44/64/54/441446454.db2.gz WCSRGGOJTQIMTF-LBPRGKRZSA-N 1 1 349.387 1.843 20 5 EDBDMO O=[N+]([O-])c1ccccc1NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000052433724 441451524 /nfs/dbraw/zinc/45/15/24/441451524.db2.gz KREDMXKVSCXSMA-UHFFFAOYSA-N 1 1 328.376 1.619 20 5 EDBDMO C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000111599702 441538389 /nfs/dbraw/zinc/53/83/89/441538389.db2.gz MMFZASWZROSHHB-SNVBAGLBSA-N 1 1 344.371 1.649 20 5 EDBDMO C[C@@H](O)[C@H]1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000089928078 441598223 /nfs/dbraw/zinc/59/82/23/441598223.db2.gz GSOOISFFSWQJLU-OLZOCXBDSA-N 1 1 349.387 1.986 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000076295130 441623866 /nfs/dbraw/zinc/62/38/66/441623866.db2.gz MVFTZIQTPDJNER-CYBMUJFWSA-N 1 1 349.387 1.927 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000076295130 441623870 /nfs/dbraw/zinc/62/38/70/441623870.db2.gz MVFTZIQTPDJNER-CYBMUJFWSA-N 1 1 349.387 1.927 20 5 EDBDMO CC(C)[NH+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000067160912 441613150 /nfs/dbraw/zinc/61/31/50/441613150.db2.gz FTCCSTUWIGQWND-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000076673869 441674726 /nfs/dbraw/zinc/67/47/26/441674726.db2.gz JUTXXYZRMFTDTQ-CYBMUJFWSA-N 1 1 348.403 1.642 20 5 EDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000136962432 441735118 /nfs/dbraw/zinc/73/51/18/441735118.db2.gz QQRZSDCJIGGEKW-LLVKDONJSA-N 1 1 341.795 1.777 20 5 EDBDMO CN(CC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000091769456 441738908 /nfs/dbraw/zinc/73/89/08/441738908.db2.gz HAXBCMFLRQAAQP-UHFFFAOYSA-N 1 1 327.385 1.590 20 5 EDBDMO CNC(=O)[C@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173617550 441805687 /nfs/dbraw/zinc/80/56/87/441805687.db2.gz IFEHXYSYDXFJKW-CYBMUJFWSA-N 1 1 337.376 1.583 20 5 EDBDMO CNC(=O)[C@H]1CCCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173617550 441805691 /nfs/dbraw/zinc/80/56/91/441805691.db2.gz IFEHXYSYDXFJKW-CYBMUJFWSA-N 1 1 337.376 1.583 20 5 EDBDMO C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000174392376 441921031 /nfs/dbraw/zinc/92/10/31/441921031.db2.gz BNOJLMCSSQZJSR-CQSZACIVSA-N 1 1 349.435 1.278 20 5 EDBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000144456637 441882828 /nfs/dbraw/zinc/88/28/28/441882828.db2.gz CLMLPHYBLHBEBO-HIFRSBDPSA-N 1 1 335.404 1.958 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000174184842 441899242 /nfs/dbraw/zinc/89/92/42/441899242.db2.gz QERAHJUATSJVGM-CQSZACIVSA-N 1 1 336.392 1.887 20 5 EDBDMO CCCNC(=O)C[NH+]1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078630272 441956020 /nfs/dbraw/zinc/95/60/20/441956020.db2.gz RESLPACCEHXUIN-UHFFFAOYSA-N 1 1 335.408 1.701 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000119996681 441990835 /nfs/dbraw/zinc/99/08/35/441990835.db2.gz IKRSMVDBIOFIHJ-JTQLQIEISA-N 1 1 325.390 1.979 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000119996681 441990839 /nfs/dbraw/zinc/99/08/39/441990839.db2.gz IKRSMVDBIOFIHJ-JTQLQIEISA-N 1 1 325.390 1.979 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000120193354 442025772 /nfs/dbraw/zinc/02/57/72/442025772.db2.gz AIFICQIMPQFYHP-AWEZNQCLSA-N 1 1 349.435 1.969 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000120534980 442090575 /nfs/dbraw/zinc/09/05/75/442090575.db2.gz KWURKPLPQJZXTL-OCCSQVGLSA-N 1 1 348.403 1.783 20 5 EDBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](C)O1 ZINC000175846143 442133437 /nfs/dbraw/zinc/13/34/37/442133437.db2.gz VYBQWWARQYLFJG-TXEJJXNPSA-N 1 1 336.392 1.406 20 5 EDBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000126799086 442144203 /nfs/dbraw/zinc/14/42/03/442144203.db2.gz UTABSHMYANFDDK-YEZLUTFDSA-N 1 1 330.406 1.033 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000126302224 442096671 /nfs/dbraw/zinc/09/66/71/442096671.db2.gz NOYPBYGVDCMLBF-VXGBXAGGSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000126302224 442096676 /nfs/dbraw/zinc/09/66/76/442096676.db2.gz NOYPBYGVDCMLBF-VXGBXAGGSA-N 1 1 339.417 1.807 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152117386 442167579 /nfs/dbraw/zinc/16/75/79/442167579.db2.gz OVDZLTCIMUXYPC-GFCCVEGCSA-N 1 1 331.380 1.666 20 5 EDBDMO Cc1nn(CCC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000120940860 442154690 /nfs/dbraw/zinc/15/46/90/442154690.db2.gz RUCVRAFSODLENL-SMDDNHRTSA-N 1 1 337.424 1.597 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152846622 442247372 /nfs/dbraw/zinc/24/73/72/442247372.db2.gz WBGMGWKXFDNEAC-CQSZACIVSA-N 1 1 341.433 1.746 20 5 EDBDMO C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000134189038 442456029 /nfs/dbraw/zinc/45/60/29/442456029.db2.gz RLYURJMKUHLKKG-NSHDSACASA-N 1 1 325.340 1.432 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000178951085 442535771 /nfs/dbraw/zinc/53/57/71/442535771.db2.gz DNICVXYDSFOEPX-ZDUSSCGKSA-N 1 1 343.449 1.787 20 5 EDBDMO CNS(=O)(=O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135229459 442570757 /nfs/dbraw/zinc/57/07/57/442570757.db2.gz NWJCEAKZORQLLU-UHFFFAOYSA-N 1 1 327.406 1.499 20 5 EDBDMO CNS(=O)(=O)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135229459 442570762 /nfs/dbraw/zinc/57/07/62/442570762.db2.gz NWJCEAKZORQLLU-UHFFFAOYSA-N 1 1 327.406 1.499 20 5 EDBDMO COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000179120351 442576171 /nfs/dbraw/zinc/57/61/71/442576171.db2.gz GRWWCWIZERLGPF-CYBMUJFWSA-N 1 1 347.371 1.511 20 5 EDBDMO COC(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000179120351 442576174 /nfs/dbraw/zinc/57/61/74/442576174.db2.gz GRWWCWIZERLGPF-CYBMUJFWSA-N 1 1 347.371 1.511 20 5 EDBDMO COC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000172884931 442561845 /nfs/dbraw/zinc/56/18/45/442561845.db2.gz XLQNSVWHEUCXEW-AWEZNQCLSA-N 1 1 337.376 1.579 20 5 EDBDMO COC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000172884931 442561851 /nfs/dbraw/zinc/56/18/51/442561851.db2.gz XLQNSVWHEUCXEW-AWEZNQCLSA-N 1 1 337.376 1.579 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000187443740 442677156 /nfs/dbraw/zinc/67/71/56/442677156.db2.gz WJPZYYIQONWRPC-XHDPSFHLSA-N 1 1 348.403 1.818 20 5 EDBDMO Cc1cc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)cc([N+](=O)[O-])c1F ZINC000192921007 442698512 /nfs/dbraw/zinc/69/85/12/442698512.db2.gz WBAVFLPSUGMVPC-PHIMTYICSA-N 1 1 343.380 1.224 20 5 EDBDMO C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000182965130 442856722 /nfs/dbraw/zinc/85/67/22/442856722.db2.gz MVHANBKGUDLETD-KRWDZBQOSA-N 1 1 336.436 1.198 20 5 EDBDMO CN1CCN(CCC[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000182965130 442856728 /nfs/dbraw/zinc/85/67/28/442856728.db2.gz MVHANBKGUDLETD-KRWDZBQOSA-N 1 1 336.436 1.198 20 5 EDBDMO COc1cc(OCC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268177629 442885649 /nfs/dbraw/zinc/88/56/49/442885649.db2.gz KWJUSRXKMHKDDL-FZMZJTMJSA-N 1 1 349.387 1.581 20 5 EDBDMO COCCOCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000268360503 442960726 /nfs/dbraw/zinc/96/07/26/442960726.db2.gz TXYBXGXOMBILRW-UHFFFAOYSA-N 1 1 348.403 1.957 20 5 EDBDMO COc1cc(C(=O)NCC[NH+]2CCSCC2)c([N+](=O)[O-])cc1F ZINC000294858571 318626023 /nfs/dbraw/zinc/62/60/23/318626023.db2.gz ALABPOQIHRAUKQ-UHFFFAOYSA-N 1 1 343.380 1.521 20 5 EDBDMO CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000249828442 443006015 /nfs/dbraw/zinc/00/60/15/443006015.db2.gz RTAZOLVVZHQGMC-JSGCOSHPSA-N 1 1 348.403 1.770 20 5 EDBDMO CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000249828442 443006021 /nfs/dbraw/zinc/00/60/21/443006021.db2.gz RTAZOLVVZHQGMC-JSGCOSHPSA-N 1 1 348.403 1.770 20 5 EDBDMO C[N@@H+](CC1(O)CCOCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000189756484 443004408 /nfs/dbraw/zinc/00/44/08/443004408.db2.gz QDNNWQSGJYFDOB-OAHLLOKOSA-N 1 1 349.387 1.173 20 5 EDBDMO C[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000255617614 443105015 /nfs/dbraw/zinc/10/50/15/443105015.db2.gz ZJDQADVMMHPMQF-ZBKLQPJUSA-N 1 1 333.388 1.693 20 5 EDBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000268816950 443117869 /nfs/dbraw/zinc/11/78/69/443117869.db2.gz WCRQFZUCILVWHA-BXKDBHETSA-N 1 1 343.380 1.495 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000268816950 443117876 /nfs/dbraw/zinc/11/78/76/443117876.db2.gz WCRQFZUCILVWHA-BXKDBHETSA-N 1 1 343.380 1.495 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000350391631 319048175 /nfs/dbraw/zinc/04/81/75/319048175.db2.gz NKUODNFCRTXDQK-DOMZBBRYSA-N 1 1 333.348 1.909 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000414666884 319338552 /nfs/dbraw/zinc/33/85/52/319338552.db2.gz XAFMAOMNGQPBPF-CQSZACIVSA-N 1 1 347.375 1.023 20 5 EDBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000264385299 443272477 /nfs/dbraw/zinc/27/24/77/443272477.db2.gz GFDGGTFYFATAJB-ZDUSSCGKSA-N 1 1 335.408 1.165 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185961805 443291023 /nfs/dbraw/zinc/29/10/23/443291023.db2.gz UCNBFUNNAJDCBG-KRWDZBQOSA-N 1 1 348.403 1.962 20 5 EDBDMO COCCN(CC[NH+](C)C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269481215 443320793 /nfs/dbraw/zinc/32/07/93/443320793.db2.gz VYZDSZJKIWWARI-UHFFFAOYSA-N 1 1 327.385 1.092 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278461968 443339532 /nfs/dbraw/zinc/33/95/32/443339532.db2.gz MRAKQVBBTDAAQV-LBPRGKRZSA-N 1 1 332.408 1.909 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000264594299 443339957 /nfs/dbraw/zinc/33/99/57/443339957.db2.gz WQJMXORSQOZKNP-GFCCVEGCSA-N 1 1 332.360 1.527 20 5 EDBDMO C[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000282553640 443372108 /nfs/dbraw/zinc/37/21/08/443372108.db2.gz SSUDGKJHWQXYOR-AWEZNQCLSA-N 1 1 334.420 1.232 20 5 EDBDMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267392433 443442151 /nfs/dbraw/zinc/44/21/51/443442151.db2.gz MUTDQGXTSDWCHH-JTQLQIEISA-N 1 1 326.784 1.224 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267392433 443442153 /nfs/dbraw/zinc/44/21/53/443442153.db2.gz MUTDQGXTSDWCHH-JTQLQIEISA-N 1 1 326.784 1.224 20 5 EDBDMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000267407436 443446417 /nfs/dbraw/zinc/44/64/17/443446417.db2.gz JXBYZFXBWLSUDR-LBPRGKRZSA-N 1 1 339.396 1.733 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267686835 443540989 /nfs/dbraw/zinc/54/09/89/443540989.db2.gz QLRPDOYHXVNYPU-AAEUAGOBSA-N 1 1 341.433 1.775 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C[C@H]2C1 ZINC000279217800 443539688 /nfs/dbraw/zinc/53/96/88/443539688.db2.gz OWFZEUVGTLNXII-OKILXGFUSA-N 1 1 328.372 1.570 20 5 EDBDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000265203871 443569291 /nfs/dbraw/zinc/56/92/91/443569291.db2.gz BNTAYHQUDWMBTB-INIZCTEOSA-N 1 1 326.393 1.829 20 5 EDBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1O ZINC000272367024 443604999 /nfs/dbraw/zinc/60/49/99/443604999.db2.gz UABHGASHNOZHJJ-HIFRSBDPSA-N 1 1 335.404 1.923 20 5 EDBDMO O=C(C[N@@H+](CCO)[C@@H]1CCCSC1)Nc1ccccc1[N+](=O)[O-] ZINC000439016813 320038750 /nfs/dbraw/zinc/03/87/50/320038750.db2.gz ZSGBARPMOLBJSB-GFCCVEGCSA-N 1 1 339.417 1.723 20 5 EDBDMO O=C(C[N@H+](CCO)[C@@H]1CCCSC1)Nc1ccccc1[N+](=O)[O-] ZINC000439016813 320038752 /nfs/dbraw/zinc/03/87/52/320038752.db2.gz ZSGBARPMOLBJSB-GFCCVEGCSA-N 1 1 339.417 1.723 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000449199006 320178121 /nfs/dbraw/zinc/17/81/21/320178121.db2.gz DYBSQVCVUMDDOM-NEPJUHHUSA-N 1 1 335.408 1.732 20 5 EDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000450387851 320218556 /nfs/dbraw/zinc/21/85/56/320218556.db2.gz KAAMEAJACCDFAS-HZPDHXFCSA-N 1 1 344.371 1.671 20 5 EDBDMO Cc1c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000454113647 320285355 /nfs/dbraw/zinc/28/53/55/320285355.db2.gz WGXIJRCCIACCDJ-ZDUSSCGKSA-N 1 1 348.403 1.783 20 5 EDBDMO CC(C)c1ccc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000457106372 320320078 /nfs/dbraw/zinc/32/00/78/320320078.db2.gz VSKYPQBNOJMFET-CYBMUJFWSA-N 1 1 335.404 1.857 20 5 EDBDMO CC(C)c1ccc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000457106372 320320079 /nfs/dbraw/zinc/32/00/79/320320079.db2.gz VSKYPQBNOJMFET-CYBMUJFWSA-N 1 1 335.404 1.857 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000457140820 320320466 /nfs/dbraw/zinc/32/04/66/320320466.db2.gz XRNOCFJROQYNHP-CYBMUJFWSA-N 1 1 346.387 1.075 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000457140820 320320467 /nfs/dbraw/zinc/32/04/67/320320467.db2.gz XRNOCFJROQYNHP-CYBMUJFWSA-N 1 1 346.387 1.075 20 5 EDBDMO C[C@@H](C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)C(=O)OC(C)(C)C ZINC000459813410 320349943 /nfs/dbraw/zinc/34/99/43/320349943.db2.gz SQLTYYVGWQJJAJ-LBPRGKRZSA-N 1 1 339.392 1.666 20 5 EDBDMO COCCOCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000276300061 443684215 /nfs/dbraw/zinc/68/42/15/443684215.db2.gz VRCLHHJCJHTTMZ-UHFFFAOYSA-N 1 1 330.356 1.845 20 5 EDBDMO COCCOCCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000276300061 443684218 /nfs/dbraw/zinc/68/42/18/443684218.db2.gz VRCLHHJCJHTTMZ-UHFFFAOYSA-N 1 1 330.356 1.845 20 5 EDBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000280233944 443679753 /nfs/dbraw/zinc/67/97/53/443679753.db2.gz LXYXFAIZYPPIES-UHFFFAOYSA-N 1 1 339.417 1.319 20 5 EDBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000280233944 443679756 /nfs/dbraw/zinc/67/97/56/443679756.db2.gz LXYXFAIZYPPIES-UHFFFAOYSA-N 1 1 339.417 1.319 20 5 EDBDMO COC(=O)c1cc(N2CCN(c3[nH]cc[nH+]3)CC2)cc(C)c1[N+](=O)[O-] ZINC000290897707 443705801 /nfs/dbraw/zinc/70/58/01/443705801.db2.gz DPRAEDQIZKPORQ-UHFFFAOYSA-N 1 1 345.359 1.740 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+](CC)C1CC1 ZINC000290938696 443716329 /nfs/dbraw/zinc/71/63/29/443716329.db2.gz ZNFZUJOLVZCBKD-UHFFFAOYSA-N 1 1 348.403 1.696 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)N1CCOCC1 ZINC000284866659 443791643 /nfs/dbraw/zinc/79/16/43/443791643.db2.gz PORIMXZCLUSVEK-UKRRQHHQSA-N 1 1 333.388 1.522 20 5 EDBDMO Cn1nccc1[C@H]1[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)CCC[N@H+]1C ZINC000285060399 443841109 /nfs/dbraw/zinc/84/11/09/443841109.db2.gz XAHIMLHRNNNRJZ-GXFFZTMASA-N 1 1 346.395 1.196 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000298896315 443895715 /nfs/dbraw/zinc/89/57/15/443895715.db2.gz LZQJJMZSQPTWEF-ZDUSSCGKSA-N 1 1 348.403 1.703 20 5 EDBDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000298896315 443895719 /nfs/dbraw/zinc/89/57/19/443895719.db2.gz LZQJJMZSQPTWEF-ZDUSSCGKSA-N 1 1 348.403 1.703 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)CNc2ccccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000285136502 443869130 /nfs/dbraw/zinc/86/91/30/443869130.db2.gz WRDTVRSAAJGMPV-STQMWFEESA-N 1 1 336.392 1.184 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000298823752 443877807 /nfs/dbraw/zinc/87/78/07/443877807.db2.gz QPQFOJBMUOPJPP-OLZOCXBDSA-N 1 1 343.380 1.639 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293019235 443904307 /nfs/dbraw/zinc/90/43/07/443904307.db2.gz FGQWXFHGMNWGPG-UHFFFAOYSA-N 1 1 349.309 1.922 20 5 EDBDMO O=[N+]([O-])c1cccnc1N1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000298997368 443923650 /nfs/dbraw/zinc/92/36/50/443923650.db2.gz RUNSHPRLTHSRKC-UHFFFAOYSA-N 1 1 325.332 1.588 20 5 EDBDMO COc1ccc(C[N@@H+]2CC[C@@](O)(c3nc(C)no3)C2)cc1[N+](=O)[O-] ZINC000277483218 443991508 /nfs/dbraw/zinc/99/15/08/443991508.db2.gz QONQHUWOEUVVRO-HNNXBMFYSA-N 1 1 334.332 1.388 20 5 EDBDMO COc1ccc(C[N@H+]2CC[C@@](O)(c3nc(C)no3)C2)cc1[N+](=O)[O-] ZINC000277483218 443991509 /nfs/dbraw/zinc/99/15/09/443991509.db2.gz QONQHUWOEUVVRO-HNNXBMFYSA-N 1 1 334.332 1.388 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000293370968 443997953 /nfs/dbraw/zinc/99/79/53/443997953.db2.gz ZGBGFVYZOMWYRK-KRWDZBQOSA-N 1 1 346.387 1.396 20 5 EDBDMO COCCOCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289050883 444042257 /nfs/dbraw/zinc/04/22/57/444042257.db2.gz QLLMHTOSMPZNGU-LBPRGKRZSA-N 1 1 325.365 1.517 20 5 EDBDMO COCCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289050883 444042261 /nfs/dbraw/zinc/04/22/61/444042261.db2.gz QLLMHTOSMPZNGU-LBPRGKRZSA-N 1 1 325.365 1.517 20 5 EDBDMO C[N@H+]1CCN(CCNC(=O)NCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000281850014 444022957 /nfs/dbraw/zinc/02/29/57/444022957.db2.gz NMDLCAOTZRLLCQ-UHFFFAOYSA-N 1 1 349.435 1.420 20 5 EDBDMO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282064612 444076160 /nfs/dbraw/zinc/07/61/60/444076160.db2.gz BRMAUCQPQGBKET-KWBADKCTSA-N 1 1 345.359 1.963 20 5 EDBDMO Cc1n[nH]c(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000299506813 444066106 /nfs/dbraw/zinc/06/61/06/444066106.db2.gz FBZXSOJRPHHIME-LLVKDONJSA-N 1 1 343.387 1.803 20 5 EDBDMO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)CN(C)C ZINC000564854696 321151709 /nfs/dbraw/zinc/15/17/09/321151709.db2.gz SCMILEVGVIUIEX-UONOGXRCSA-N 1 1 339.436 1.900 20 5 EDBDMO C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000564854696 321151711 /nfs/dbraw/zinc/15/17/11/321151711.db2.gz SCMILEVGVIUIEX-UONOGXRCSA-N 1 1 339.436 1.900 20 5 EDBDMO NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@H+](C2CCOCC2)CC1 ZINC000301342615 444165254 /nfs/dbraw/zinc/16/52/54/444165254.db2.gz FQCCGVUKGREECP-UHFFFAOYSA-N 1 1 348.403 1.385 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@@H]1C ZINC000301446772 444172155 /nfs/dbraw/zinc/17/21/55/444172155.db2.gz ZQOBFKWHDRLTJC-WDEREUQCSA-N 1 1 347.375 1.135 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@@H]1C ZINC000301446772 444172157 /nfs/dbraw/zinc/17/21/57/444172157.db2.gz ZQOBFKWHDRLTJC-WDEREUQCSA-N 1 1 347.375 1.135 20 5 EDBDMO C[N@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000301658092 444183634 /nfs/dbraw/zinc/18/36/34/444183634.db2.gz LQUYZUQIGVWDFR-GHMZBOCLSA-N 1 1 343.181 1.272 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301827225 444192514 /nfs/dbraw/zinc/19/25/14/444192514.db2.gz PMFFNYZGLBYMNK-OAHLLOKOSA-N 1 1 336.367 1.652 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000301954630 444198210 /nfs/dbraw/zinc/19/82/10/444198210.db2.gz KIIMCCORFOCHJD-INIZCTEOSA-N 1 1 332.404 1.822 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000290107669 444243525 /nfs/dbraw/zinc/24/35/25/444243525.db2.gz LMFGPCGBNDBEQF-UHFFFAOYSA-N 1 1 328.438 1.612 20 5 EDBDMO CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])s1)CC[NH+](C)C ZINC000290107669 444243526 /nfs/dbraw/zinc/24/35/26/444243526.db2.gz LMFGPCGBNDBEQF-UHFFFAOYSA-N 1 1 328.438 1.612 20 5 EDBDMO COC(=O)c1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC000297161242 444276917 /nfs/dbraw/zinc/27/69/17/444276917.db2.gz WAUVHGPRERGSKE-AGUYFDCRSA-N 1 1 347.371 1.736 20 5 EDBDMO C[NH+]1CCN(C(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000340704432 444484192 /nfs/dbraw/zinc/48/41/92/444484192.db2.gz PFABNNFSYRVOIB-UHFFFAOYSA-N 1 1 329.360 1.232 20 5 EDBDMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000341001488 444624226 /nfs/dbraw/zinc/62/42/26/444624226.db2.gz LJWSQQKNYQITPG-ZDUSSCGKSA-N 1 1 346.387 1.068 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000343999526 444719153 /nfs/dbraw/zinc/71/91/53/444719153.db2.gz YYCQQJFPTCSXMF-FZMZJTMJSA-N 1 1 341.433 1.918 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000343999526 444719156 /nfs/dbraw/zinc/71/91/56/444719156.db2.gz YYCQQJFPTCSXMF-FZMZJTMJSA-N 1 1 341.433 1.918 20 5 EDBDMO C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000338671236 444801947 /nfs/dbraw/zinc/80/19/47/444801947.db2.gz BRFYSAUNASLNOH-CHWSQXEVSA-N 1 1 337.424 1.763 20 5 EDBDMO Cc1[nH+]ccn1-c1ccccc1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000341796303 445005964 /nfs/dbraw/zinc/00/59/64/445005964.db2.gz CDZKLDQMWDSFQH-UHFFFAOYSA-N 1 1 325.332 1.495 20 5 EDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@H+]1C ZINC000330623586 445067393 /nfs/dbraw/zinc/06/73/93/445067393.db2.gz FDDGRPAXJSIRRI-OLZOCXBDSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+]1C ZINC000330623586 445067396 /nfs/dbraw/zinc/06/73/96/445067396.db2.gz FDDGRPAXJSIRRI-OLZOCXBDSA-N 1 1 343.387 1.945 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000343116547 445076117 /nfs/dbraw/zinc/07/61/17/445076117.db2.gz GDVOXVHTRNRCBY-SMDDNHRTSA-N 1 1 339.367 1.651 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000343116547 445076121 /nfs/dbraw/zinc/07/61/21/445076121.db2.gz GDVOXVHTRNRCBY-SMDDNHRTSA-N 1 1 339.367 1.651 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000339382994 445135558 /nfs/dbraw/zinc/13/55/58/445135558.db2.gz UEHKCABWXIOCEI-HOTGVXAUSA-N 1 1 345.403 1.766 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000346774234 445225646 /nfs/dbraw/zinc/22/56/46/445225646.db2.gz PXJZGJOEDYOJFQ-NEPJUHHUSA-N 1 1 349.387 1.921 20 5 EDBDMO C[C@@H]1[C@@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCC[N@H+]1C ZINC000343506440 445235755 /nfs/dbraw/zinc/23/57/55/445235755.db2.gz HEAWVHIZRGYNBM-KOLCDFICSA-N 1 1 328.394 1.137 20 5 EDBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000348527165 445315002 /nfs/dbraw/zinc/31/50/02/445315002.db2.gz HWGAOOZXKRLWAQ-ZYHUDNBSSA-N 1 1 345.359 1.731 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000348216637 445319277 /nfs/dbraw/zinc/31/92/77/445319277.db2.gz PAQAGDLNSBAZEH-AWEZNQCLSA-N 1 1 348.403 1.710 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000352013731 445438125 /nfs/dbraw/zinc/43/81/25/445438125.db2.gz KHESCISAJDFQNU-NWDGAFQWSA-N 1 1 349.387 1.460 20 5 EDBDMO CCC[NH+]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000357135640 445447681 /nfs/dbraw/zinc/44/76/81/445447681.db2.gz SCPPUZRUAPMSSB-UHFFFAOYSA-N 1 1 337.376 1.780 20 5 EDBDMO O=[N+]([O-])c1ccc(CCNc2cc[nH+]c(N3CCOCC3)n2)cc1 ZINC000352385054 445524309 /nfs/dbraw/zinc/52/43/09/445524309.db2.gz BRHQAJKACLLIQI-UHFFFAOYSA-N 1 1 329.360 1.876 20 5 EDBDMO NC(=O)c1ccc(N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000362740847 445526682 /nfs/dbraw/zinc/52/66/82/445526682.db2.gz HZIFWVOZCAIJHC-KGLIPLIRSA-N 1 1 348.403 1.119 20 5 EDBDMO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1O2 ZINC000360130008 445584114 /nfs/dbraw/zinc/58/41/14/445584114.db2.gz NPXVOHXYBMTYPU-ILXRZTDVSA-N 1 1 345.399 1.756 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000362894122 445599927 /nfs/dbraw/zinc/59/99/27/445599927.db2.gz YBMQQGWQNNRTEN-CQSZACIVSA-N 1 1 341.433 1.864 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000362894122 445599931 /nfs/dbraw/zinc/59/99/31/445599931.db2.gz YBMQQGWQNNRTEN-CQSZACIVSA-N 1 1 341.433 1.864 20 5 EDBDMO Cc1c(CC(=O)N2CC[C@H]([N@@H+](C)CCO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356089195 445612879 /nfs/dbraw/zinc/61/28/79/445612879.db2.gz UGJPYSLMXOFVTG-CJNGLKHVSA-N 1 1 335.404 1.359 20 5 EDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000357971253 445596666 /nfs/dbraw/zinc/59/66/66/445596666.db2.gz HHVXTHYTYCZUDC-ZDUSSCGKSA-N 1 1 346.387 1.736 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000349801263 445682416 /nfs/dbraw/zinc/68/24/16/445682416.db2.gz OASGHMDSAFMVMS-LBPRGKRZSA-N 1 1 329.422 1.910 20 5 EDBDMO CNc1c(C(=O)NCCCNc2ccc(C)c[nH+]2)cccc1[N+](=O)[O-] ZINC000360956938 445740511 /nfs/dbraw/zinc/74/05/11/445740511.db2.gz XGQRULJJSCTASI-UHFFFAOYSA-N 1 1 343.387 2.572 20 5 EDBDMO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000363394856 445785904 /nfs/dbraw/zinc/78/59/04/445785904.db2.gz FJKHRHGQGDTJPJ-UHFFFAOYSA-N 1 1 347.419 1.797 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000353863999 445788930 /nfs/dbraw/zinc/78/89/30/445788930.db2.gz HOJMMQRTWPQJQP-ZWNOBZJWSA-N 1 1 328.390 1.659 20 5 EDBDMO C[C@@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1N(C)C ZINC000358837409 445802674 /nfs/dbraw/zinc/80/26/74/445802674.db2.gz XRFPWSLOVAGVFP-IUODEOHRSA-N 1 1 348.403 1.775 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1N(C)C ZINC000358837409 445802677 /nfs/dbraw/zinc/80/26/77/445802677.db2.gz XRFPWSLOVAGVFP-IUODEOHRSA-N 1 1 348.403 1.775 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1-c1noc(Cn2c[nH+]c3c2CCCC3)n1 ZINC000350264046 445803341 /nfs/dbraw/zinc/80/33/41/445803341.db2.gz SVXAQJCGAKRMTM-UHFFFAOYSA-N 1 1 329.320 1.502 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000356512607 445834255 /nfs/dbraw/zinc/83/42/55/445834255.db2.gz IWJMMIMYHUIVCG-GFCCVEGCSA-N 1 1 337.376 1.132 20 5 EDBDMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)c1 ZINC000359022808 445893205 /nfs/dbraw/zinc/89/32/05/445893205.db2.gz DXJCUEZBLJUTOA-UHFFFAOYSA-N 1 1 342.359 1.469 20 5 EDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000356812651 446043631 /nfs/dbraw/zinc/04/36/31/446043631.db2.gz JMKAKLWDNUOEJK-OLZOCXBDSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000356812651 446043636 /nfs/dbraw/zinc/04/36/36/446043636.db2.gz JMKAKLWDNUOEJK-OLZOCXBDSA-N 1 1 343.387 1.945 20 5 EDBDMO CO[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000583852297 326151290 /nfs/dbraw/zinc/15/12/90/326151290.db2.gz CGSDVMWMSLSPBI-KCPJHIHWSA-N 1 1 347.371 1.584 20 5 EDBDMO CO[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000583852297 326151291 /nfs/dbraw/zinc/15/12/91/326151291.db2.gz CGSDVMWMSLSPBI-KCPJHIHWSA-N 1 1 347.371 1.584 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000373185370 446085227 /nfs/dbraw/zinc/08/52/27/446085227.db2.gz ZPCRCTHUJBREMC-GJZGRUSLSA-N 1 1 334.372 1.903 20 5 EDBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000365349445 446163417 /nfs/dbraw/zinc/16/34/17/446163417.db2.gz PMWKXUFGISYQLC-MRXNPFEDSA-N 1 1 347.419 1.839 20 5 EDBDMO O=C(CC[N@H+]1C[C@@H](F)C[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000370447691 446282753 /nfs/dbraw/zinc/28/27/53/446282753.db2.gz PPPBVWWSDMOCTL-ONGXEEELSA-N 1 1 329.303 1.467 20 5 EDBDMO O=C(CC[N@@H+]1C[C@@H](F)C[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000370447691 446282759 /nfs/dbraw/zinc/28/27/59/446282759.db2.gz PPPBVWWSDMOCTL-ONGXEEELSA-N 1 1 329.303 1.467 20 5 EDBDMO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cn(C)nn1 ZINC000359631311 446327723 /nfs/dbraw/zinc/32/77/23/446327723.db2.gz GQLZDIKRJNVJTM-UHFFFAOYSA-N 1 1 346.391 1.882 20 5 EDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cn(C)nn1 ZINC000359631311 446327726 /nfs/dbraw/zinc/32/77/26/446327726.db2.gz GQLZDIKRJNVJTM-UHFFFAOYSA-N 1 1 346.391 1.882 20 5 EDBDMO C[C@@]1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000366896735 446402372 /nfs/dbraw/zinc/40/23/72/446402372.db2.gz NKVMAECRNIXZAK-KRWDZBQOSA-N 1 1 343.387 1.960 20 5 EDBDMO C[C@@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000366896735 446402375 /nfs/dbraw/zinc/40/23/75/446402375.db2.gz NKVMAECRNIXZAK-KRWDZBQOSA-N 1 1 343.387 1.960 20 5 EDBDMO C[C@@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000366896735 446402379 /nfs/dbraw/zinc/40/23/79/446402379.db2.gz NKVMAECRNIXZAK-KRWDZBQOSA-N 1 1 343.387 1.960 20 5 EDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000376407457 446479871 /nfs/dbraw/zinc/47/98/71/446479871.db2.gz MLQAGKDICPBRKX-JFIYKMOQSA-N 1 1 329.400 1.776 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000376407457 446479876 /nfs/dbraw/zinc/47/98/76/446479876.db2.gz MLQAGKDICPBRKX-JFIYKMOQSA-N 1 1 329.400 1.776 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000376407457 446479884 /nfs/dbraw/zinc/47/98/84/446479884.db2.gz MLQAGKDICPBRKX-JFIYKMOQSA-N 1 1 329.400 1.776 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000411363830 446507697 /nfs/dbraw/zinc/50/76/97/446507697.db2.gz UQECBRQLDVEQLB-STQMWFEESA-N 1 1 348.403 1.749 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000411404974 446522713 /nfs/dbraw/zinc/52/27/13/446522713.db2.gz XYWCGSVOQFWULV-CQSZACIVSA-N 1 1 346.387 1.537 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000411433884 446541398 /nfs/dbraw/zinc/54/13/98/446541398.db2.gz AQUXGJBNPDSZBO-OLZOCXBDSA-N 1 1 348.403 1.701 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000411433884 446541405 /nfs/dbraw/zinc/54/14/05/446541405.db2.gz AQUXGJBNPDSZBO-OLZOCXBDSA-N 1 1 348.403 1.701 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000411435739 446542409 /nfs/dbraw/zinc/54/24/09/446542409.db2.gz CSALHMYYLIUSLC-OLZOCXBDSA-N 1 1 348.403 1.701 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000411435739 446542417 /nfs/dbraw/zinc/54/24/17/446542417.db2.gz CSALHMYYLIUSLC-OLZOCXBDSA-N 1 1 348.403 1.701 20 5 EDBDMO O=C(CCN1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420381047 446557295 /nfs/dbraw/zinc/55/72/95/446557295.db2.gz RQQOKDIINLZBMY-QGZVFWFLSA-N 1 1 332.404 1.999 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000423613984 446606235 /nfs/dbraw/zinc/60/62/35/446606235.db2.gz PPRLXRMJFOOCLS-GFCCVEGCSA-N 1 1 333.323 1.254 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000423615180 446607231 /nfs/dbraw/zinc/60/72/31/446607231.db2.gz QQNISNJWBSPLQM-LBPRGKRZSA-N 1 1 335.751 1.758 20 5 EDBDMO O=C(CC[N@H+]1CCC[C@H]1Cn1ccnn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411698011 446652205 /nfs/dbraw/zinc/65/22/05/446652205.db2.gz LTLRREDIHWNXCZ-HNNXBMFYSA-N 1 1 344.375 1.680 20 5 EDBDMO C[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000371270172 446730384 /nfs/dbraw/zinc/73/03/84/446730384.db2.gz YCWMOKHHUVWZRW-ZBFHGGJFSA-N 1 1 326.356 1.817 20 5 EDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000368310617 446778548 /nfs/dbraw/zinc/77/85/48/446778548.db2.gz QEZIMNAVQMJCDS-LEWSCRJBSA-N 1 1 331.376 1.128 20 5 EDBDMO C[N@@H+](C[C@@H]1CC12CCN(c1ncc([N+](=O)[O-])c(N)n1)CC2)C1CC1 ZINC000371338745 446788596 /nfs/dbraw/zinc/78/85/96/446788596.db2.gz HHLOFUPEBILENB-NSHDSACASA-N 1 1 332.408 1.668 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000368419088 446850649 /nfs/dbraw/zinc/85/06/49/446850649.db2.gz ZYJYWCJJBLGGBC-HZSPNIEDSA-N 1 1 337.424 1.307 20 5 EDBDMO C[C@@H]1C[C@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000424076033 446841659 /nfs/dbraw/zinc/84/16/59/446841659.db2.gz PXJZQELJRXYXHE-OUAUKWLOSA-N 1 1 331.376 1.917 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000442295916 446888523 /nfs/dbraw/zinc/88/85/23/446888523.db2.gz SVBBVIMYPSWWMF-OLZOCXBDSA-N 1 1 348.403 1.701 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000442295916 446888527 /nfs/dbraw/zinc/88/85/27/446888527.db2.gz SVBBVIMYPSWWMF-OLZOCXBDSA-N 1 1 348.403 1.701 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CC[N@@H+](C)C2CC2)c1F ZINC000412256507 446913261 /nfs/dbraw/zinc/91/32/61/446913261.db2.gz MADOPRAXABZTDQ-UHFFFAOYSA-N 1 1 339.367 1.838 20 5 EDBDMO COCCCn1nccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000368540069 446931448 /nfs/dbraw/zinc/93/14/48/446931448.db2.gz RWUSNJCDOZTUAT-UHFFFAOYSA-N 1 1 348.407 1.861 20 5 EDBDMO CSCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420978556 446952690 /nfs/dbraw/zinc/95/26/90/446952690.db2.gz XPGFWLFJOJFBKL-UHFFFAOYSA-N 1 1 333.435 1.168 20 5 EDBDMO Cc1ccc(N2CC[N@@H+](C[C@H]3CN(C)CCO3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000371826777 446967232 /nfs/dbraw/zinc/96/72/32/446967232.db2.gz MRCXLLPFDRAFDY-JKSUJKDBSA-N 1 1 348.447 1.744 20 5 EDBDMO Cc1ccc(N2CC[N@H+](C[C@H]3CN(C)CCO3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000371826777 446967234 /nfs/dbraw/zinc/96/72/34/446967234.db2.gz MRCXLLPFDRAFDY-JKSUJKDBSA-N 1 1 348.447 1.744 20 5 EDBDMO CCc1n[nH]c(C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000372086970 446994548 /nfs/dbraw/zinc/99/45/48/446994548.db2.gz UWUYVHNMMIDYSJ-NSHDSACASA-N 1 1 335.408 1.969 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000372086970 446994553 /nfs/dbraw/zinc/99/45/53/446994553.db2.gz UWUYVHNMMIDYSJ-NSHDSACASA-N 1 1 335.408 1.969 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000372086970 446994561 /nfs/dbraw/zinc/99/45/61/446994561.db2.gz UWUYVHNMMIDYSJ-NSHDSACASA-N 1 1 335.408 1.969 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]12CCOC2 ZINC000421026414 446996339 /nfs/dbraw/zinc/99/63/39/446996339.db2.gz SOGWJFOQGFGLDU-MRXNPFEDSA-N 1 1 335.360 1.797 20 5 EDBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000375889988 447124877 /nfs/dbraw/zinc/12/48/77/447124877.db2.gz JTLDRZMDSOXROF-JKSUJKDBSA-N 1 1 343.387 1.395 20 5 EDBDMO C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000377477752 447152030 /nfs/dbraw/zinc/15/20/30/447152030.db2.gz OGBJXIVXDXNDOH-HIFRSBDPSA-N 1 1 346.387 1.068 20 5 EDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000372731210 447252131 /nfs/dbraw/zinc/25/21/31/447252131.db2.gz ZXHBXKVODNBZQF-LHRNQBEKSA-N 1 1 333.388 1.523 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425552863 447228221 /nfs/dbraw/zinc/22/82/21/447228221.db2.gz SLQGMFMRYJNQDA-GHMZBOCLSA-N 1 1 330.348 1.529 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425552863 447228225 /nfs/dbraw/zinc/22/82/25/447228225.db2.gz SLQGMFMRYJNQDA-GHMZBOCLSA-N 1 1 330.348 1.529 20 5 EDBDMO CNc1nc(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)ccc1[N+](=O)[O-] ZINC000456010195 447284427 /nfs/dbraw/zinc/28/44/27/447284427.db2.gz FKQKKHWAKBQKSX-SNVBAGLBSA-N 1 1 330.348 1.220 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000416568411 447650094 /nfs/dbraw/zinc/65/00/94/447650094.db2.gz XCBZDBKZEGPFAK-CYBMUJFWSA-N 1 1 341.433 1.913 20 5 EDBDMO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451868350 447769101 /nfs/dbraw/zinc/76/91/01/447769101.db2.gz DNQCSJRVHDUZDU-NSHDSACASA-N 1 1 335.330 1.607 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000525211458 447977983 /nfs/dbraw/zinc/97/79/83/447977983.db2.gz GFMBEKPOZNTSSV-NSHDSACASA-N 1 1 335.360 1.737 20 5 EDBDMO COc1ccc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000497215921 447968349 /nfs/dbraw/zinc/96/83/49/447968349.db2.gz TYHGWHFTYBLSFB-CYBMUJFWSA-N 1 1 335.360 1.878 20 5 EDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ncc([N+](=O)[O-])cc1F ZINC000591151202 448273909 /nfs/dbraw/zinc/27/39/09/448273909.db2.gz NEFONOARDFWQGV-UHFFFAOYSA-N 1 1 326.372 1.924 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000591370591 448347311 /nfs/dbraw/zinc/34/73/11/448347311.db2.gz IHSOOSJKWPWKPF-RYUDHWBXSA-N 1 1 331.376 1.429 20 5 EDBDMO CC(C)(C)n1ncnc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584775228 448626375 /nfs/dbraw/zinc/62/63/75/448626375.db2.gz CDONPNMAKRJTOZ-LBPRGKRZSA-N 1 1 349.391 1.471 20 5 EDBDMO CN(C(=O)C[N@H+]1CCCC[C@@H]1C1(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000573686138 448690812 /nfs/dbraw/zinc/69/08/12/448690812.db2.gz YXEAJBNERQVPDR-OAHLLOKOSA-N 1 1 333.388 1.937 20 5 EDBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000586789610 448812763 /nfs/dbraw/zinc/81/27/63/448812763.db2.gz DCEMMLJBTCMYTC-CYBMUJFWSA-N 1 1 329.360 1.664 20 5 EDBDMO C[C@H]1C[N@@H+](CCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCCO1 ZINC000588033830 448861001 /nfs/dbraw/zinc/86/10/01/448861001.db2.gz QTLSZXZMGARDIM-LBPRGKRZSA-N 1 1 338.408 1.582 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000589111396 448970664 /nfs/dbraw/zinc/97/06/64/448970664.db2.gz IGZNBWAUACNLTB-LLVKDONJSA-N 1 1 342.421 1.020 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548089415 448980956 /nfs/dbraw/zinc/98/09/56/448980956.db2.gz JWTOKKHCDWGBSZ-SMDDNHRTSA-N 1 1 329.360 1.568 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CCO ZINC000595706088 449126335 /nfs/dbraw/zinc/12/63/35/449126335.db2.gz 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NS(=O)(=O)c1c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000603932349 449161436 /nfs/dbraw/zinc/16/14/36/449161436.db2.gz FRCPDCWBHCXPPO-MNOVXSKESA-N 1 1 340.405 1.281 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595753579 449148136 /nfs/dbraw/zinc/14/81/36/449148136.db2.gz ZCPDOGWHWFBFDM-YOEHRIQHSA-N 1 1 336.388 1.571 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000590400826 449149122 /nfs/dbraw/zinc/14/91/22/449149122.db2.gz ZKHGNIBFSYDHQA-DZGCQCFKSA-N 1 1 349.387 1.295 20 5 EDBDMO Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000590564530 449193398 /nfs/dbraw/zinc/19/33/98/449193398.db2.gz FSGZASAFELFQOX-HOTGVXAUSA-N 1 1 333.388 1.838 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000590566213 449193525 /nfs/dbraw/zinc/19/35/25/449193525.db2.gz VOOCOORTUDGNTL-HZPDHXFCSA-N 1 1 333.388 1.838 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 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O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000738193965 579169974 /nfs/dbraw/zinc/16/99/74/579169974.db2.gz UIIBDGVHKMGZHD-ZDUSSCGKSA-N 1 1 343.343 1.821 20 5 EDBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCCC[NH+]1CCOCC1 ZINC000758739161 579990751 /nfs/dbraw/zinc/99/07/51/579990751.db2.gz ZZFGDMVZQYRELR-UHFFFAOYSA-N 1 1 347.371 1.884 20 5 EDBDMO CC1=CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000762707715 580080855 /nfs/dbraw/zinc/08/08/55/580080855.db2.gz PABWBKWMASFJCJ-UHFFFAOYSA-N 1 1 334.332 1.885 20 5 EDBDMO Cc1c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000769144909 580229971 /nfs/dbraw/zinc/22/99/71/580229971.db2.gz KINDZSFKCBUBHO-NXEZZACHSA-N 1 1 336.348 1.976 20 5 EDBDMO Cc1c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000769144909 580229972 /nfs/dbraw/zinc/22/99/72/580229972.db2.gz KINDZSFKCBUBHO-NXEZZACHSA-N 1 1 336.348 1.976 20 5 EDBDMO 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NRHSFGWGXPVPTM-KRWDZBQOSA-N 1 1 344.371 1.176 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794633024 580900926 /nfs/dbraw/zinc/90/09/26/580900926.db2.gz KFCBSJFNVGCOJF-STQMWFEESA-N 1 1 346.387 1.876 20 5 EDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@@]2(CCOC2)CC1=O ZINC000800866300 581060422 /nfs/dbraw/zinc/06/04/22/581060422.db2.gz XGIYCTANUVQLEB-QGZVFWFLSA-N 1 1 333.388 1.666 20 5 EDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@@]2(CCOC2)CC1=O ZINC000800866300 581060423 /nfs/dbraw/zinc/06/04/23/581060423.db2.gz XGIYCTANUVQLEB-QGZVFWFLSA-N 1 1 333.388 1.666 20 5 EDBDMO C/C(=C\C(=O)N1CCN(C)CC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000888986702 590958260 /nfs/dbraw/zinc/95/82/60/590958260.db2.gz QRPQBMRGNCTFQH-CCEZHUSRSA-N 1 1 346.431 1.704 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000892929302 591228951 /nfs/dbraw/zinc/22/89/51/591228951.db2.gz GKUYNXQIQHWASO-HZPDHXFCSA-N 1 1 348.403 1.852 20 5 EDBDMO Cc1c(CC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896554367 591519830 /nfs/dbraw/zinc/51/98/30/591519830.db2.gz WIBFKKYLOPFJMB-CJNGLKHVSA-N 1 1 334.420 1.196 20 5 EDBDMO Cc1c(CC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000896554367 591519837 /nfs/dbraw/zinc/51/98/37/591519837.db2.gz WIBFKKYLOPFJMB-CJNGLKHVSA-N 1 1 334.420 1.196 20 5 EDBDMO Cc1c(CC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000896554367 591519841 /nfs/dbraw/zinc/51/98/41/591519841.db2.gz WIBFKKYLOPFJMB-CJNGLKHVSA-N 1 1 334.420 1.196 20 5 EDBDMO C[C@]1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCNC1=O ZINC000897868277 591700620 /nfs/dbraw/zinc/70/06/20/591700620.db2.gz HONFENDXHCELEK-JTQLQIEISA-N 1 1 334.195 1.787 20 5 EDBDMO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000903208335 592138556 /nfs/dbraw/zinc/13/85/56/592138556.db2.gz HWNUCYAEQFDIPW-CYBMUJFWSA-N 1 1 339.417 1.626 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000903215550 592140734 /nfs/dbraw/zinc/14/07/34/592140734.db2.gz KUCABVHEQVMBIR-CYBMUJFWSA-N 1 1 325.390 1.372 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC[N@H+]1C ZINC000906797341 592348626 /nfs/dbraw/zinc/34/86/26/592348626.db2.gz HIOMTSWYLOFSBF-NEPJUHHUSA-N 1 1 349.387 1.969 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)[C@H]2C1 ZINC000908348398 592456005 /nfs/dbraw/zinc/45/60/05/592456005.db2.gz OBDLKNSIFPMEFC-RISCZKNCSA-N 1 1 347.371 1.532 20 5 EDBDMO CC(C)(NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccccc1[N+](=O)[O-] ZINC000908360390 592465145 /nfs/dbraw/zinc/46/51/45/592465145.db2.gz QTHACOAOTOPMEW-ZDUSSCGKSA-N 1 1 333.388 1.667 20 5 EDBDMO CN1C(=O)CN(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840126141 593212706 /nfs/dbraw/zinc/21/27/06/593212706.db2.gz OSYJKQQLAVIXFH-ZDUSSCGKSA-N 1 1 332.360 1.626 20 5 EDBDMO CN1C(=O)CN(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840126141 593212708 /nfs/dbraw/zinc/21/27/08/593212708.db2.gz OSYJKQQLAVIXFH-ZDUSSCGKSA-N 1 1 332.360 1.626 20 5 EDBDMO CNc1ccc(C(=O)OC[C@H]2C[N@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000802139978 593223186 /nfs/dbraw/zinc/22/31/86/593223186.db2.gz KQXZMANEBJNLCP-CYBMUJFWSA-N 1 1 337.376 1.903 20 5 EDBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000839668373 593360863 /nfs/dbraw/zinc/36/08/63/593360863.db2.gz AGRFMBIPZCCHIB-GFCCVEGCSA-N 1 1 336.348 1.992 20 5 EDBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000839668373 593360866 /nfs/dbraw/zinc/36/08/66/593360866.db2.gz AGRFMBIPZCCHIB-GFCCVEGCSA-N 1 1 336.348 1.992 20 5 EDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821088796 593962853 /nfs/dbraw/zinc/96/28/53/593962853.db2.gz WPVGZQMYEAUSKR-LLVKDONJSA-N 1 1 346.395 1.338 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C)O1 ZINC000822764061 594097070 /nfs/dbraw/zinc/09/70/70/594097070.db2.gz ZSIYYXGFYBCGMG-ZNMIVQPWSA-N 1 1 341.452 1.922 20 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595203702 /nfs/dbraw/zinc/20/37/02/595203702.db2.gz RYQQLTVAADUNBI-UHFFFAOYSA-N 1 1 325.340 1.494 20 5 EDBDMO CNC(=O)C1([NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCCC1 ZINC000844307173 595320586 /nfs/dbraw/zinc/32/05/86/595320586.db2.gz OAGBRBGSEIVHDO-UHFFFAOYSA-N 1 1 335.360 1.530 20 5 EDBDMO C[N@H+]1CC[C@@H](CCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000847828046 595489218 /nfs/dbraw/zinc/48/92/18/595489218.db2.gz KGPLYIHSKOQMJI-NSHDSACASA-N 1 1 336.344 1.865 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000858224402 595735844 /nfs/dbraw/zinc/73/58/44/595735844.db2.gz FHFOXEYSPQWTIT-AWEZNQCLSA-N 1 1 340.811 1.678 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000858224402 595735847 /nfs/dbraw/zinc/73/58/47/595735847.db2.gz FHFOXEYSPQWTIT-AWEZNQCLSA-N 1 1 340.811 1.678 20 5 EDBDMO O=[N+]([O-])c1c(N2CCC[C@@H]([NH+]3CCOCC3)C2)nc2ccccn21 ZINC000853651695 595846763 /nfs/dbraw/zinc/84/67/63/595846763.db2.gz LYFSJJWBGVWBBW-CYBMUJFWSA-N 1 1 331.376 1.544 20 5 EDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 ZINC000856534308 596013009 /nfs/dbraw/zinc/01/30/09/596013009.db2.gz YTNYGJNLPJEEAA-DLBZAZTESA-N 1 1 340.383 1.945 20 5 EDBDMO O=[N+]([O-])c1ccc(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 ZINC000856534308 596013012 /nfs/dbraw/zinc/01/30/12/596013012.db2.gz YTNYGJNLPJEEAA-DLBZAZTESA-N 1 1 340.383 1.945 20 5 EDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000854352482 596047175 /nfs/dbraw/zinc/04/71/75/596047175.db2.gz DJISIRHBTJMBMP-IFCKCIONSA-N 1 1 344.415 1.504 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861708349 596075267 /nfs/dbraw/zinc/07/52/67/596075267.db2.gz DLXSPTAKISPFQZ-VXGBXAGGSA-N 1 1 339.779 1.529 20 5 EDBDMO C[NH+]1CCN(CC2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)C2)CC1 ZINC000854644805 596147377 /nfs/dbraw/zinc/14/73/77/596147377.db2.gz SWOSDFBMXNRYNW-UHFFFAOYSA-N 1 1 336.367 1.053 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867814149 596566609 /nfs/dbraw/zinc/56/66/09/596566609.db2.gz KBSURVNVZYRZAI-TZMCWYRMSA-N 1 1 339.417 1.618 20 5 EDBDMO CC(C)[C@H]1CNCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863546228 596613990 /nfs/dbraw/zinc/61/39/90/596613990.db2.gz GZVIOBAKWYVJOY-OAHLLOKOSA-N 1 1 338.383 1.992 20 5 EDBDMO CC(C)[C@H]1CNCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863546228 596613993 /nfs/dbraw/zinc/61/39/93/596613993.db2.gz GZVIOBAKWYVJOY-OAHLLOKOSA-N 1 1 338.383 1.992 20 5 EDBDMO C[C@@]([NH3+])(C(=O)N1C[C@]2(C)COC[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000867984936 596644954 /nfs/dbraw/zinc/64/49/54/596644954.db2.gz VSLVREXBICVXSK-BBWFWOEESA-N 1 1 333.388 1.654 20 5 EDBDMO Cc1ccc(CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000868422980 596831696 /nfs/dbraw/zinc/83/16/96/596831696.db2.gz CNYOBOGEJYGNSA-IUODEOHRSA-N 1 1 336.392 1.422 20 5 EDBDMO Cc1ccc(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000868422980 596831698 /nfs/dbraw/zinc/83/16/98/596831698.db2.gz CNYOBOGEJYGNSA-IUODEOHRSA-N 1 1 336.392 1.422 20 5 EDBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872666678 597021995 /nfs/dbraw/zinc/02/19/95/597021995.db2.gz YJGIYTCAKSPRRW-NWDGAFQWSA-N 1 1 343.380 1.591 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872666678 597021999 /nfs/dbraw/zinc/02/19/99/597021999.db2.gz YJGIYTCAKSPRRW-NWDGAFQWSA-N 1 1 343.380 1.591 20 5 EDBDMO CCN1C(=O)[C@@H]2C[N@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)CCN2C1=O ZINC000876804094 597345566 /nfs/dbraw/zinc/34/55/66/597345566.db2.gz MPDJMRRBKOYUNT-HNNXBMFYSA-N 1 1 346.387 1.680 20 5 EDBDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)CCN2C1=O ZINC000876804094 597345567 /nfs/dbraw/zinc/34/55/67/597345567.db2.gz MPDJMRRBKOYUNT-HNNXBMFYSA-N 1 1 346.387 1.680 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879574991 597637929 /nfs/dbraw/zinc/63/79/29/597637929.db2.gz HOEOJYILJQDNPU-XJKSGUPXSA-N 1 1 332.404 1.868 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000880129348 597848571 /nfs/dbraw/zinc/84/85/71/597848571.db2.gz HSLPSMYBQRAMJK-DJIMGWMZSA-N 1 1 335.404 1.503 20 5 EDBDMO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000880129348 597848573 /nfs/dbraw/zinc/84/85/73/597848573.db2.gz HSLPSMYBQRAMJK-DJIMGWMZSA-N 1 1 335.404 1.503 20 5 EDBDMO CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000880129348 597848576 /nfs/dbraw/zinc/84/85/76/597848576.db2.gz HSLPSMYBQRAMJK-DJIMGWMZSA-N 1 1 335.404 1.503 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000880129350 597848685 /nfs/dbraw/zinc/84/86/85/597848685.db2.gz HSLPSMYBQRAMJK-USXIJHARSA-N 1 1 335.404 1.503 20 5 EDBDMO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000880129350 597848687 /nfs/dbraw/zinc/84/86/87/597848687.db2.gz HSLPSMYBQRAMJK-USXIJHARSA-N 1 1 335.404 1.503 20 5 EDBDMO CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000880129350 597848688 /nfs/dbraw/zinc/84/86/88/597848688.db2.gz HSLPSMYBQRAMJK-USXIJHARSA-N 1 1 335.404 1.503 20 5 EDBDMO CN(C(=O)CN1CC[C@H]2[C@H]1CCC[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000880132781 597850930 /nfs/dbraw/zinc/85/09/30/597850930.db2.gz FXMQVFNHBYRGJK-JKSUJKDBSA-N 1 1 332.404 1.726 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000879342740 597893436 /nfs/dbraw/zinc/89/34/36/597893436.db2.gz UXDYKILYANTMBR-UHTWSYAYSA-N 1 1 334.294 1.731 20 5 EDBDMO COc1cccc(C[NH+]2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000879448732 597921111 /nfs/dbraw/zinc/92/11/11/597921111.db2.gz CWXQKTSRDPLBIL-UHFFFAOYSA-N 1 1 345.403 1.618 20 5 EDBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000880423036 597928021 /nfs/dbraw/zinc/92/80/21/597928021.db2.gz AXZPDDJZYNNRES-LSDHHAIUSA-N 1 1 338.360 1.697 20 5 EDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001031907838 700877427 /nfs/dbraw/zinc/87/74/27/700877427.db2.gz JFONJQMIUAAJCK-ZSHCYNCHSA-N 1 1 331.372 1.035 20 5 EDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1csc(=O)[nH]1 ZINC001031914684 700969230 /nfs/dbraw/zinc/96/92/30/700969230.db2.gz RKLSBQRAMAXXRM-UHFFFAOYSA-N 1 1 348.384 1.619 20 5 EDBDMO CCc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000996440897 702770190 /nfs/dbraw/zinc/77/01/90/702770190.db2.gz OLQNEFJHAMNVAG-IAGOWNOFSA-N 1 1 331.416 1.995 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000075617044 704554209 /nfs/dbraw/zinc/55/42/09/704554209.db2.gz NYTVJCWKFNKART-UHFFFAOYSA-N 1 1 329.784 1.946 20 5 EDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000922160940 710029274 /nfs/dbraw/zinc/02/92/74/710029274.db2.gz ZZQUFLGVOOWUSM-LBPRGKRZSA-N 1 1 339.417 1.503 20 5 EDBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000174859212 529939735 /nfs/dbraw/zinc/93/97/35/529939735.db2.gz CAFGZOFYAPIRPD-HNNXBMFYSA-N 1 1 347.350 1.668 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000174859212 529939737 /nfs/dbraw/zinc/93/97/37/529939737.db2.gz CAFGZOFYAPIRPD-HNNXBMFYSA-N 1 1 347.350 1.668 20 5 EDBDMO Cc1cc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000068958056 215349162 /nfs/dbraw/zinc/34/91/62/215349162.db2.gz KGKYBRGODDEXOR-HNNXBMFYSA-N 1 1 333.388 1.840 20 5 EDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000074107705 138225065 /nfs/dbraw/zinc/22/50/65/138225065.db2.gz YMQPONKHKRWQAE-CYBMUJFWSA-N 1 1 336.392 1.234 20 5 EDBDMO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866356 138313066 /nfs/dbraw/zinc/31/30/66/138313066.db2.gz QNXGFUHZONJEJB-ZDUSSCGKSA-N 1 1 333.392 1.344 20 5 EDBDMO CN(CC1CC1)C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866356 138313067 /nfs/dbraw/zinc/31/30/67/138313067.db2.gz QNXGFUHZONJEJB-ZDUSSCGKSA-N 1 1 333.392 1.344 20 5 EDBDMO O=C(CC[NH2+][C@@H]1CCc2cn[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000564565923 306361077 /nfs/dbraw/zinc/36/10/77/306361077.db2.gz ZFKOBHMPKKOACD-GFCCVEGCSA-N 1 1 329.360 1.794 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000107888374 219814333 /nfs/dbraw/zinc/81/43/33/219814333.db2.gz BAOJYFLZGYNRQC-NSHDSACASA-N 1 1 337.376 1.684 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC[C@H](C)O ZINC000072713957 216299153 /nfs/dbraw/zinc/29/91/53/216299153.db2.gz RGSBYKHNLVDGBT-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO CC(C)(CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000022992518 212340919 /nfs/dbraw/zinc/34/09/19/212340919.db2.gz BROYPMTZSMNIBE-BQYQJAHWSA-N 1 1 333.388 1.835 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247180759 139139079 /nfs/dbraw/zinc/13/90/79/139139079.db2.gz SBGVVAMROVFOAH-CZUORRHYSA-N 1 1 348.403 1.328 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247180759 139139080 /nfs/dbraw/zinc/13/90/80/139139080.db2.gz SBGVVAMROVFOAH-CZUORRHYSA-N 1 1 348.403 1.328 20 5 EDBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@H]1O ZINC000248375341 139161132 /nfs/dbraw/zinc/16/11/32/139161132.db2.gz WMQQEXXSTHVTHP-SWLSCSKDSA-N 1 1 342.417 1.461 20 5 EDBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@H]1O ZINC000248375341 139161133 /nfs/dbraw/zinc/16/11/33/139161133.db2.gz WMQQEXXSTHVTHP-SWLSCSKDSA-N 1 1 342.417 1.461 20 5 EDBDMO CC1(C)CCC[NH2+][C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261913034 139236253 /nfs/dbraw/zinc/23/62/53/139236253.db2.gz QKSBIHITQPCSJZ-GFCCVEGCSA-N 1 1 345.396 1.790 20 5 EDBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000420938449 251785626 /nfs/dbraw/zinc/78/56/26/251785626.db2.gz MNAHXUNKINFIMU-CQSZACIVSA-N 1 1 337.376 1.395 20 5 EDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000118112256 221119793 /nfs/dbraw/zinc/11/97/93/221119793.db2.gz OAYXQETXAMDKIE-CYBMUJFWSA-N 1 1 348.403 1.770 20 5 EDBDMO CC[N@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000118826592 221190889 /nfs/dbraw/zinc/19/08/89/221190889.db2.gz ZOMVCDPZUVVRJS-UHFFFAOYSA-N 1 1 336.392 1.570 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173984802 533328651 /nfs/dbraw/zinc/32/86/51/533328651.db2.gz SBGVVAMROVFOAH-BBRMVZONSA-N 1 1 348.403 1.328 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173984802 533328657 /nfs/dbraw/zinc/32/86/57/533328657.db2.gz SBGVVAMROVFOAH-BBRMVZONSA-N 1 1 348.403 1.328 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)c1 ZINC000571313660 306562807 /nfs/dbraw/zinc/56/28/07/306562807.db2.gz NHFSMECCTZWXOX-CQSZACIVSA-N 1 1 329.360 1.423 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000270466554 140105514 /nfs/dbraw/zinc/10/55/14/140105514.db2.gz GZNJWHWWRLCKOG-OAHLLOKOSA-N 1 1 349.431 1.788 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC000270790398 140169607 /nfs/dbraw/zinc/16/96/07/140169607.db2.gz WSUGCTLETTWWQU-GFCCVEGCSA-N 1 1 347.375 1.878 20 5 EDBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC1 ZINC000344704495 143000893 /nfs/dbraw/zinc/00/08/93/143000893.db2.gz AQNKNIXSQIKUOV-UHFFFAOYSA-N 1 1 339.417 1.769 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC[N@H+]1C ZINC000345126484 143053774 /nfs/dbraw/zinc/05/37/74/143053774.db2.gz HJERHBXGJMXBIH-CHWSQXEVSA-N 1 1 348.403 1.850 20 5 EDBDMO Cc1cc(C(=O)NCC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000345321711 143077717 /nfs/dbraw/zinc/07/77/17/143077717.db2.gz OKZQRKNLCLBOJJ-GXTWGEPZSA-N 1 1 348.403 1.232 20 5 EDBDMO COc1cc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C(C)C)ccc1[N+](=O)[O-] ZINC000345604494 143110903 /nfs/dbraw/zinc/11/09/03/143110903.db2.gz VYPXVWOQJFLYRH-UONOGXRCSA-N 1 1 348.403 1.980 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C(C)C)ccc1[N+](=O)[O-] ZINC000345604494 143110904 /nfs/dbraw/zinc/11/09/04/143110904.db2.gz VYPXVWOQJFLYRH-UONOGXRCSA-N 1 1 348.403 1.980 20 5 EDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000346157638 143173517 /nfs/dbraw/zinc/17/35/17/143173517.db2.gz CETYCOSWEFSVFC-SLEUVZQESA-N 1 1 332.404 1.979 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1C ZINC000347028800 143273591 /nfs/dbraw/zinc/27/35/91/143273591.db2.gz WIKHXMGXTWWBDU-DGCLKSJQSA-N 1 1 335.360 1.725 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1C ZINC000347028800 143273592 /nfs/dbraw/zinc/27/35/92/143273592.db2.gz WIKHXMGXTWWBDU-DGCLKSJQSA-N 1 1 335.360 1.725 20 5 EDBDMO C[C@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347075204 143279647 /nfs/dbraw/zinc/27/96/47/143279647.db2.gz AGFFSFFHDDYZHZ-IINYFYTJSA-N 1 1 325.340 1.261 20 5 EDBDMO CC(=O)NCC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000347647330 143345234 /nfs/dbraw/zinc/34/52/34/143345234.db2.gz HYMYTOWWWYZQEZ-CQSZACIVSA-N 1 1 348.403 1.772 20 5 EDBDMO CC(=O)NCC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000347647330 143345235 /nfs/dbraw/zinc/34/52/35/143345235.db2.gz HYMYTOWWWYZQEZ-CQSZACIVSA-N 1 1 348.403 1.772 20 5 EDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000347722320 143354503 /nfs/dbraw/zinc/35/45/03/143354503.db2.gz PHMWTWOUKFHGJI-LBPRGKRZSA-N 1 1 336.392 1.259 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000369855971 155206518 /nfs/dbraw/zinc/20/65/18/155206518.db2.gz LEZKKSXCPCSBET-KCPJHIHWSA-N 1 1 347.371 1.441 20 5 EDBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000369855971 155206520 /nfs/dbraw/zinc/20/65/20/155206520.db2.gz LEZKKSXCPCSBET-KCPJHIHWSA-N 1 1 347.371 1.441 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352658950 149105178 /nfs/dbraw/zinc/10/51/78/149105178.db2.gz HJSHDTQCUVPUBM-BPNCWPANSA-N 1 1 337.376 1.776 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@H]1C ZINC000352665458 149106815 /nfs/dbraw/zinc/10/68/15/149106815.db2.gz QNLTTWIEILLNQS-WDEREUQCSA-N 1 1 335.360 1.878 20 5 EDBDMO CN(C)C(=O)CCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353402567 149391816 /nfs/dbraw/zinc/39/18/16/149391816.db2.gz KTRZOBXRPABSEW-INIZCTEOSA-N 1 1 345.403 1.876 20 5 EDBDMO Cc1nn(C)c(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000355713026 150370248 /nfs/dbraw/zinc/37/02/48/150370248.db2.gz FDMCYGXMVCHEAY-QGZVFWFLSA-N 1 1 345.403 1.686 20 5 EDBDMO COc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000361905194 286197427 /nfs/dbraw/zinc/19/74/27/286197427.db2.gz CVHDAWBSDXNMQZ-FZMZJTMJSA-N 1 1 349.387 1.778 20 5 EDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357965946 151213890 /nfs/dbraw/zinc/21/38/90/151213890.db2.gz UBOCGPXVXMCNGZ-XQQFMLRXSA-N 1 1 335.408 1.806 20 5 EDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358161299 151291772 /nfs/dbraw/zinc/29/17/72/151291772.db2.gz FYTFRSKZCCOVOQ-CYBMUJFWSA-N 1 1 328.756 1.436 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000360881086 152239704 /nfs/dbraw/zinc/23/97/04/152239704.db2.gz KRUKKIXTEMJLLR-CYBMUJFWSA-N 1 1 325.413 1.888 20 5 EDBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000360927040 152254546 /nfs/dbraw/zinc/25/45/46/152254546.db2.gz LUDSSKIQBDBFRX-QGZVFWFLSA-N 1 1 346.431 1.376 20 5 EDBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCC[NH+]2CCCC2)s1 ZINC000360954827 152262713 /nfs/dbraw/zinc/26/27/13/152262713.db2.gz URKVVTDFBDBMMP-UHFFFAOYSA-N 1 1 333.435 1.958 20 5 EDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000364282804 153195274 /nfs/dbraw/zinc/19/52/74/153195274.db2.gz ONVRNNMEUBCPTA-QWHCGFSZSA-N 1 1 334.376 1.160 20 5 EDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000364282804 153195276 /nfs/dbraw/zinc/19/52/76/153195276.db2.gz ONVRNNMEUBCPTA-QWHCGFSZSA-N 1 1 334.376 1.160 20 5 EDBDMO O=[N+]([O-])c1ccc(Cc2noc([C@H]3CCn4c[nH+]cc4C3)n2)nc1 ZINC000364472602 153247280 /nfs/dbraw/zinc/24/72/80/153247280.db2.gz BTPIEEOJAARBHN-JTQLQIEISA-N 1 1 326.316 1.890 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000367580708 154185600 /nfs/dbraw/zinc/18/56/00/154185600.db2.gz BJQCNOSWSZNGSQ-BXUZGUMPSA-N 1 1 325.390 1.310 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3ccc(F)cn3)CC2)c1 ZINC000367715806 154239879 /nfs/dbraw/zinc/23/98/79/154239879.db2.gz CKHNQRFGGYASLE-INIZCTEOSA-N 1 1 346.362 1.985 20 5 EDBDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000374773283 157395232 /nfs/dbraw/zinc/39/52/32/157395232.db2.gz CIFTVVVNYZBNTC-AGUYFDCRSA-N 1 1 330.392 1.935 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000378275994 158127382 /nfs/dbraw/zinc/12/73/82/158127382.db2.gz IMKMNDDAFJUQGN-OAHLLOKOSA-N 1 1 343.387 1.793 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000378275994 158127386 /nfs/dbraw/zinc/12/73/86/158127386.db2.gz IMKMNDDAFJUQGN-OAHLLOKOSA-N 1 1 343.387 1.793 20 5 EDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000378538934 158203953 /nfs/dbraw/zinc/20/39/53/158203953.db2.gz HVPZGDCCBHQKPJ-SGMGOOAPSA-N 1 1 330.388 1.733 20 5 EDBDMO COc1cc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352544412 162241182 /nfs/dbraw/zinc/24/11/82/162241182.db2.gz AILVCIKOFIWEOH-CZUORRHYSA-N 1 1 335.404 1.756 20 5 EDBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000067612503 287246312 /nfs/dbraw/zinc/24/63/12/287246312.db2.gz GAEFEZOOILRAEZ-AWEZNQCLSA-N 1 1 348.447 1.907 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000122202161 222036049 /nfs/dbraw/zinc/03/60/49/222036049.db2.gz DVBPXTUMYGORHZ-GFCCVEGCSA-N 1 1 337.376 1.636 20 5 EDBDMO Cc1nn(CCC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000124009101 222365028 /nfs/dbraw/zinc/36/50/28/222365028.db2.gz ZUAURBXINQXZSC-BXUZGUMPSA-N 1 1 337.424 1.739 20 5 EDBDMO C[N@@H+](CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC1 ZINC000272946109 273024534 /nfs/dbraw/zinc/02/45/34/273024534.db2.gz FKDQNMNASHGDHU-OAHLLOKOSA-N 1 1 332.360 1.298 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273386695 268039383 /nfs/dbraw/zinc/03/93/83/268039383.db2.gz JDHMADRPVFDCHK-SNVBAGLBSA-N 1 1 326.328 1.576 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000275961048 268387355 /nfs/dbraw/zinc/38/73/55/268387355.db2.gz HMCMSTQNMRRXRG-LBPRGKRZSA-N 1 1 334.376 1.252 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000273442574 273040186 /nfs/dbraw/zinc/04/01/86/273040186.db2.gz NMNFNGITCARZLW-HFBDAHEESA-N 1 1 333.388 1.835 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCCCO)c([N+](=O)[O-])c1 ZINC000276353708 273162676 /nfs/dbraw/zinc/16/26/76/273162676.db2.gz IZXIHNXEMSBSPH-UHFFFAOYSA-N 1 1 325.365 1.636 20 5 EDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](O)(c3nc(C4CC4)no3)C2)cc1 ZINC000277363626 273192983 /nfs/dbraw/zinc/19/29/83/273192983.db2.gz IPJREZKOFNWWJA-INIZCTEOSA-N 1 1 330.344 1.949 20 5 EDBDMO Cc1noc([C@]2(O)CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000277461736 273200886 /nfs/dbraw/zinc/20/08/86/273200886.db2.gz OZMNVRYDYVJAGM-HNNXBMFYSA-N 1 1 334.332 1.259 20 5 EDBDMO Cc1noc([C@]2(O)CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000277461736 273200887 /nfs/dbraw/zinc/20/08/87/273200887.db2.gz OZMNVRYDYVJAGM-HNNXBMFYSA-N 1 1 334.332 1.259 20 5 EDBDMO COCC[N@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000357321218 274032696 /nfs/dbraw/zinc/03/26/96/274032696.db2.gz FTGMVOGSNKAFOM-GFCCVEGCSA-N 1 1 331.376 1.695 20 5 EDBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000284368342 274177589 /nfs/dbraw/zinc/17/75/89/274177589.db2.gz DWDFODXKURSLNM-CQSZACIVSA-N 1 1 348.403 1.574 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC[C@H]21 ZINC000284450425 274206679 /nfs/dbraw/zinc/20/66/79/274206679.db2.gz QXXMIVZKAOCJGR-IINYFYTJSA-N 1 1 336.367 1.872 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000284515667 274230758 /nfs/dbraw/zinc/23/07/58/274230758.db2.gz DQJHEPVZVAJSGZ-ZFWWWQNUSA-N 1 1 337.376 1.151 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000284734245 274312594 /nfs/dbraw/zinc/31/25/94/274312594.db2.gz KMFPKJCRUHEERC-OIISXLGYSA-N 1 1 336.388 1.978 20 5 EDBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193422298 277046963 /nfs/dbraw/zinc/04/69/63/277046963.db2.gz BCHMFYSFSXHJFE-HNNXBMFYSA-N 1 1 333.436 1.783 20 5 EDBDMO COCC[N@@H+](C)CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272589621 277213571 /nfs/dbraw/zinc/21/35/71/277213571.db2.gz ZYBPLRUYLQEFPF-MRXNPFEDSA-N 1 1 347.419 1.586 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000331180765 277289521 /nfs/dbraw/zinc/28/95/21/277289521.db2.gz YYZBOJGTLWVRNL-ZDUSSCGKSA-N 1 1 327.406 1.417 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000331180765 277289522 /nfs/dbraw/zinc/28/95/22/277289522.db2.gz YYZBOJGTLWVRNL-ZDUSSCGKSA-N 1 1 327.406 1.417 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000288045376 288389718 /nfs/dbraw/zinc/38/97/18/288389718.db2.gz YSLXCDUUBAPYTJ-GFCCVEGCSA-N 1 1 348.403 1.703 20 5 EDBDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000288045376 288389720 /nfs/dbraw/zinc/38/97/20/288389720.db2.gz YSLXCDUUBAPYTJ-GFCCVEGCSA-N 1 1 348.403 1.703 20 5 EDBDMO C[C@@H]1[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000291756630 289172058 /nfs/dbraw/zinc/17/20/58/289172058.db2.gz KZNHNFZWAOVZMU-TZMCWYRMSA-N 1 1 343.387 1.721 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CCC(F)(F)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000291977767 289230127 /nfs/dbraw/zinc/23/01/27/289230127.db2.gz WBLSDRURWUMKPD-NSHDSACASA-N 1 1 346.330 1.932 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC(F)(F)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000291977767 289230130 /nfs/dbraw/zinc/23/01/30/289230130.db2.gz WBLSDRURWUMKPD-NSHDSACASA-N 1 1 346.330 1.932 20 5 EDBDMO Cc1sc(C(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000181339106 294070248 /nfs/dbraw/zinc/07/02/48/294070248.db2.gz DBTFTBCIAMNNRA-LBPRGKRZSA-N 1 1 335.389 1.485 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000104747974 302041334 /nfs/dbraw/zinc/04/13/34/302041334.db2.gz JUQKXWCSUBMPBW-LBPRGKRZSA-N 1 1 327.406 1.475 20 5 EDBDMO COc1cc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000293892905 303034724 /nfs/dbraw/zinc/03/47/24/303034724.db2.gz NAZSGOKUVCIQRZ-QGZVFWFLSA-N 1 1 349.387 1.780 20 5 EDBDMO COc1cc(OCC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000293934187 303040740 /nfs/dbraw/zinc/04/07/40/303040740.db2.gz IGZKRVFSPUGAQG-TXEJJXNPSA-N 1 1 337.376 1.533 20 5 EDBDMO Cc1nc(N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295141184 303178779 /nfs/dbraw/zinc/17/87/79/303178779.db2.gz ZMSDOWMJZZWKMA-YRGRVCCFSA-N 1 1 335.408 1.771 20 5 EDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000295227614 303191487 /nfs/dbraw/zinc/19/14/87/303191487.db2.gz NLWYPXDAIXHYNG-OAHLLOKOSA-N 1 1 325.340 1.524 20 5 EDBDMO COC[C@]1(C)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000296721400 303334133 /nfs/dbraw/zinc/33/41/33/303334133.db2.gz NNXHFZKOQABHAC-QGZVFWFLSA-N 1 1 333.388 1.842 20 5 EDBDMO COC[C@]1(C)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000296721400 303334135 /nfs/dbraw/zinc/33/41/35/303334135.db2.gz NNXHFZKOQABHAC-QGZVFWFLSA-N 1 1 333.388 1.842 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)[N@H+]1CCO ZINC000456217622 447333566 /nfs/dbraw/zinc/33/35/66/447333566.db2.gz XOEONAWVICSRIR-TXEJJXNPSA-N 1 1 346.387 1.603 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)[N@@H+]1CCO ZINC000456217622 447333575 /nfs/dbraw/zinc/33/35/75/447333575.db2.gz XOEONAWVICSRIR-TXEJJXNPSA-N 1 1 346.387 1.603 20 5 EDBDMO Cc1cc(NC2CC[NH+](CC(N)=O)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302016323 303707512 /nfs/dbraw/zinc/70/75/12/303707512.db2.gz LUUVIBPEVRZAHJ-UHFFFAOYSA-N 1 1 343.387 1.813 20 5 EDBDMO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429719603 305035841 /nfs/dbraw/zinc/03/58/41/305035841.db2.gz OYYIWADNMPTUSX-QWHCGFSZSA-N 1 1 345.396 1.684 20 5 EDBDMO CN1CC[NH+](CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429910284 305039992 /nfs/dbraw/zinc/03/99/92/305039992.db2.gz NKSPKOQGQOWLNO-UHFFFAOYSA-N 1 1 348.447 1.626 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000434503189 305123815 /nfs/dbraw/zinc/12/38/15/305123815.db2.gz HBUAPKHGUDTALR-OAHLLOKOSA-N 1 1 344.419 1.677 20 5 EDBDMO CC[NH+]1CCN(C[C@H](C)CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439105099 305194082 /nfs/dbraw/zinc/19/40/82/305194082.db2.gz GXVFYEUPVQVLTQ-CYBMUJFWSA-N 1 1 349.435 1.379 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000442274275 305227714 /nfs/dbraw/zinc/22/77/14/305227714.db2.gz QPACKFBBYLUNLB-VXGBXAGGSA-N 1 1 334.376 1.393 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000442274275 305227715 /nfs/dbraw/zinc/22/77/15/305227715.db2.gz QPACKFBBYLUNLB-VXGBXAGGSA-N 1 1 334.376 1.393 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000442286941 305228269 /nfs/dbraw/zinc/22/82/69/305228269.db2.gz WDXDQKOWWFYRDL-NWDGAFQWSA-N 1 1 334.376 1.393 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000442286941 305228270 /nfs/dbraw/zinc/22/82/70/305228270.db2.gz WDXDQKOWWFYRDL-NWDGAFQWSA-N 1 1 334.376 1.393 20 5 EDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446899807 305271714 /nfs/dbraw/zinc/27/17/14/305271714.db2.gz KSNYPXXKRBKHQJ-LLVKDONJSA-N 1 1 346.391 1.707 20 5 EDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448797473 305301958 /nfs/dbraw/zinc/30/19/58/305301958.db2.gz SXQGLRZGJSLLCR-ZDUSSCGKSA-N 1 1 341.371 1.747 20 5 EDBDMO O=C(CC[N@@H+]1CC[C@](O)(C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451424317 305345374 /nfs/dbraw/zinc/34/53/74/305345374.db2.gz GCEYHDJURLRHNT-CQSZACIVSA-N 1 1 329.303 1.625 20 5 EDBDMO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451576503 305354724 /nfs/dbraw/zinc/35/47/24/305354724.db2.gz UEGUMRSRCFNAJO-CYBMUJFWSA-N 1 1 334.376 1.620 20 5 EDBDMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451576503 305354725 /nfs/dbraw/zinc/35/47/25/305354725.db2.gz UEGUMRSRCFNAJO-CYBMUJFWSA-N 1 1 334.376 1.620 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000451624287 305357047 /nfs/dbraw/zinc/35/70/47/305357047.db2.gz AKETZKGFZUYYFG-YGRLFVJLSA-N 1 1 338.795 1.823 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000451962451 305374415 /nfs/dbraw/zinc/37/44/15/305374415.db2.gz FWBGFSGVSDRISS-UONOGXRCSA-N 1 1 326.422 1.371 20 5 EDBDMO CNc1nc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000455863998 305447448 /nfs/dbraw/zinc/44/74/48/305447448.db2.gz LFXCFAMQVYQKGG-GFCCVEGCSA-N 1 1 344.375 1.841 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000493897873 447417220 /nfs/dbraw/zinc/41/72/20/447417220.db2.gz RUDLRVSCZDZHOB-QWHCGFSZSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000493897873 447417225 /nfs/dbraw/zinc/41/72/25/447417225.db2.gz RUDLRVSCZDZHOB-QWHCGFSZSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000046035189 441070755 /nfs/dbraw/zinc/07/07/55/441070755.db2.gz JTPSMUDVCFREJI-GFCCVEGCSA-N 1 1 341.433 1.913 20 5 EDBDMO CC(C)[N@@H+](C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000101953242 441163758 /nfs/dbraw/zinc/16/37/58/441163758.db2.gz AALAVPGCYQNHHI-UHFFFAOYSA-N 1 1 331.376 1.851 20 5 EDBDMO Cc1[nH+]ccn1CCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000080390370 441167097 /nfs/dbraw/zinc/16/70/97/441167097.db2.gz DTLSVLUQWZXURN-UHFFFAOYSA-N 1 1 345.359 1.036 20 5 EDBDMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000104748328 441203795 /nfs/dbraw/zinc/20/37/95/441203795.db2.gz SCEUYFFFDAJFLC-ZDUSSCGKSA-N 1 1 327.406 1.308 20 5 EDBDMO CC[N@H+](CCC(=O)OC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000064570117 441384811 /nfs/dbraw/zinc/38/48/11/441384811.db2.gz IKYWZOLKHIVFPF-UHFFFAOYSA-N 1 1 335.360 1.369 20 5 EDBDMO CC[N@@H+](CCC(=O)OC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000064570117 441384814 /nfs/dbraw/zinc/38/48/14/441384814.db2.gz IKYWZOLKHIVFPF-UHFFFAOYSA-N 1 1 335.360 1.369 20 5 EDBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000073842216 441359236 /nfs/dbraw/zinc/35/92/36/441359236.db2.gz FFWTXKZOVOLDQU-LBPRGKRZSA-N 1 1 339.417 1.666 20 5 EDBDMO Nc1nc(NCc2ccccc2C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000074237221 441411804 /nfs/dbraw/zinc/41/18/04/441411804.db2.gz QMNQCJYHJHXFAZ-UHFFFAOYSA-N 1 1 344.375 1.411 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000107890749 441432640 /nfs/dbraw/zinc/43/26/40/441432640.db2.gz OPNVHKFFNWFBQW-NSHDSACASA-N 1 1 335.360 1.453 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000107893454 441433754 /nfs/dbraw/zinc/43/37/54/441433754.db2.gz XSLNMAJTUKWPEN-LBPRGKRZSA-N 1 1 337.376 1.440 20 5 EDBDMO COC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000108338921 441447687 /nfs/dbraw/zinc/44/76/87/441447687.db2.gz ILJBQLZXFYKTDH-NSHDSACASA-N 1 1 335.360 1.453 20 5 EDBDMO CCC(CC)[C@@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCOCC1 ZINC000029147574 441447772 /nfs/dbraw/zinc/44/77/72/441447772.db2.gz QKRLBDCKHHICKD-CYBMUJFWSA-N 1 1 325.413 1.877 20 5 EDBDMO O=C([C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000065588282 441464774 /nfs/dbraw/zinc/46/47/74/441464774.db2.gz AJXXYQBWBFKWMW-MRXNPFEDSA-N 1 1 347.415 1.708 20 5 EDBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000031526484 441528104 /nfs/dbraw/zinc/52/81/04/441528104.db2.gz HEQUVNGWOXXOSU-UHFFFAOYSA-N 1 1 335.408 1.370 20 5 EDBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000031526484 441528107 /nfs/dbraw/zinc/52/81/07/441528107.db2.gz HEQUVNGWOXXOSU-UHFFFAOYSA-N 1 1 335.408 1.370 20 5 EDBDMO C[C@H]1C[N@H+](C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000066396316 441529200 /nfs/dbraw/zinc/52/92/00/441529200.db2.gz VWILIPXWGVILBB-AWEZNQCLSA-N 1 1 347.415 1.849 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000075752711 441554972 /nfs/dbraw/zinc/55/49/72/441554972.db2.gz ZSACUZRMHLWRBA-MRXNPFEDSA-N 1 1 337.424 1.103 20 5 EDBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000054352166 441573433 /nfs/dbraw/zinc/57/34/33/441573433.db2.gz ODUZUICINYTQOA-UHFFFAOYSA-N 1 1 331.376 1.986 20 5 EDBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCN1CCCC1=O ZINC000112995473 441575895 /nfs/dbraw/zinc/57/58/95/441575895.db2.gz CIRNCZDVSOOSRM-UHFFFAOYSA-N 1 1 334.376 1.478 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000041361660 441646133 /nfs/dbraw/zinc/64/61/33/441646133.db2.gz NKVXICXOQRQNKI-UHFFFAOYSA-N 1 1 335.408 1.056 20 5 EDBDMO C[NH+](C)CCOc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000136517195 441701769 /nfs/dbraw/zinc/70/17/69/441701769.db2.gz RKOAEBBRPYKITI-UHFFFAOYSA-N 1 1 333.348 1.188 20 5 EDBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000115521117 441752283 /nfs/dbraw/zinc/75/22/83/441752283.db2.gz CGHHFDAJOMXBQT-VXGBXAGGSA-N 1 1 338.412 1.516 20 5 EDBDMO Cc1csc(=O)n1CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464430 441759398 /nfs/dbraw/zinc/75/93/98/441759398.db2.gz NKPLBTDMRXJHIT-LBPRGKRZSA-N 1 1 349.416 1.708 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000141417504 441850948 /nfs/dbraw/zinc/85/09/48/441850948.db2.gz QHSWTYJIWYIBKB-GFCCVEGCSA-N 1 1 337.351 1.809 20 5 EDBDMO Cc1sc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000123876919 441902086 /nfs/dbraw/zinc/90/20/86/441902086.db2.gz STGIVXVEWSTNOU-NSHDSACASA-N 1 1 345.446 1.727 20 5 EDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000149546593 441924720 /nfs/dbraw/zinc/92/47/20/441924720.db2.gz HJSRZOGWXMQITJ-OKILXGFUSA-N 1 1 337.424 1.666 20 5 EDBDMO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000174164857 441896969 /nfs/dbraw/zinc/89/69/69/441896969.db2.gz FWYPQCFAKDYRCK-AWEZNQCLSA-N 1 1 349.435 1.278 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000161959200 442048335 /nfs/dbraw/zinc/04/83/35/442048335.db2.gz SEMGJXJRBQQNON-UHFFFAOYSA-N 1 1 341.433 1.541 20 5 EDBDMO C[C@H](CS(C)(=O)=O)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000069866403 442060321 /nfs/dbraw/zinc/06/03/21/442060321.db2.gz SRNDJXGYJZLIKM-GFCCVEGCSA-N 1 1 330.406 1.729 20 5 EDBDMO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000069866403 442060326 /nfs/dbraw/zinc/06/03/26/442060326.db2.gz SRNDJXGYJZLIKM-GFCCVEGCSA-N 1 1 330.406 1.729 20 5 EDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126672552 442132934 /nfs/dbraw/zinc/13/29/34/442132934.db2.gz KGXUXNLVIFSFHY-OCCSQVGLSA-N 1 1 333.392 1.267 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000121097923 442176765 /nfs/dbraw/zinc/17/67/65/442176765.db2.gz WXRRSACFWFWVCJ-UHFFFAOYSA-N 1 1 348.403 1.703 20 5 EDBDMO O=C(c1ccccc1)N1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176203868 442190606 /nfs/dbraw/zinc/19/06/06/442190606.db2.gz QOUOLCPQLWGNNX-UHFFFAOYSA-N 1 1 343.387 1.639 20 5 EDBDMO O=C(c1ccccc1)N1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176203868 442190611 /nfs/dbraw/zinc/19/06/11/442190611.db2.gz QOUOLCPQLWGNNX-UHFFFAOYSA-N 1 1 343.387 1.639 20 5 EDBDMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000176212441 442192285 /nfs/dbraw/zinc/19/22/85/442192285.db2.gz PXMYXNIUDQKIDA-UHFFFAOYSA-N 1 1 336.392 1.690 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000164250051 442193026 /nfs/dbraw/zinc/19/30/26/442193026.db2.gz IAFLWMOLBWOIFD-JSGCOSHPSA-N 1 1 335.408 1.469 20 5 EDBDMO O=[N+]([O-])c1ccn(CCN2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC000177783903 442383958 /nfs/dbraw/zinc/38/39/58/442383958.db2.gz ULWZFJISUDNZLZ-UHFFFAOYSA-N 1 1 331.376 1.315 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(Cc3cccc(O)c3)CC2)n1 ZINC000177783903 442383961 /nfs/dbraw/zinc/38/39/61/442383961.db2.gz ULWZFJISUDNZLZ-UHFFFAOYSA-N 1 1 331.376 1.315 20 5 EDBDMO O=c1cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c2c(ccc3ccccc32)o1 ZINC000186495704 442546039 /nfs/dbraw/zinc/54/60/39/442546039.db2.gz YRKXDAWYZSSBTP-GJZGRUSLSA-N 1 1 325.364 1.874 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191861315 442527304 /nfs/dbraw/zinc/52/73/04/442527304.db2.gz LJUYAJGNJVNURF-ZDUSSCGKSA-N 1 1 341.433 1.974 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180206012 442558156 /nfs/dbraw/zinc/55/81/56/442558156.db2.gz ZWKVBENGKPWBQF-WMLDXEAASA-N 1 1 343.387 1.661 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000180382800 442591073 /nfs/dbraw/zinc/59/10/73/442591073.db2.gz YTYKQKUFQAUGGN-ZDUSSCGKSA-N 1 1 349.387 1.233 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000180382800 442591079 /nfs/dbraw/zinc/59/10/79/442591079.db2.gz YTYKQKUFQAUGGN-ZDUSSCGKSA-N 1 1 349.387 1.233 20 5 EDBDMO COc1cc(OCC(=O)N(C)CC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000186750881 442606246 /nfs/dbraw/zinc/60/62/46/442606246.db2.gz MQIRDCMWLUGBNN-UHFFFAOYSA-N 1 1 337.376 1.535 20 5 EDBDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000173264873 442635178 /nfs/dbraw/zinc/63/51/78/442635178.db2.gz ZNGUSMPBSWUJEF-NEPJUHHUSA-N 1 1 327.406 1.698 20 5 EDBDMO CCc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000192711862 442679165 /nfs/dbraw/zinc/67/91/65/442679165.db2.gz PISXVZXWWPFJBK-UHFFFAOYSA-N 1 1 335.364 1.677 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181398628 442694665 /nfs/dbraw/zinc/69/46/65/442694665.db2.gz JADHHDIGTKRGHL-OAHLLOKOSA-N 1 1 329.360 1.423 20 5 EDBDMO C[N@@H+](CCc1nccs1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182245762 442749620 /nfs/dbraw/zinc/74/96/20/442749620.db2.gz OEICIOJMBPVRBQ-GFCCVEGCSA-N 1 1 337.401 1.966 20 5 EDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000188461573 442752961 /nfs/dbraw/zinc/75/29/61/442752961.db2.gz MPGJAQPGFFLYSU-CYBMUJFWSA-N 1 1 336.392 1.144 20 5 EDBDMO Cc1c(CC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000188721465 442796791 /nfs/dbraw/zinc/79/67/91/442796791.db2.gz CHBNVRKKUPTLDI-ZDUSSCGKSA-N 1 1 349.431 1.749 20 5 EDBDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000193683418 442766993 /nfs/dbraw/zinc/76/69/93/442766993.db2.gz VNBZFUSUBPITKU-UHFFFAOYSA-N 1 1 349.391 1.235 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268158806 442876398 /nfs/dbraw/zinc/87/63/98/442876398.db2.gz IVGRSCCPUNINFG-YGRLFVJLSA-N 1 1 346.387 1.441 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000268340108 442954599 /nfs/dbraw/zinc/95/45/99/442954599.db2.gz KWCNKYGJBUXNKU-CZUORRHYSA-N 1 1 338.360 1.220 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249562785 442988531 /nfs/dbraw/zinc/98/85/31/442988531.db2.gz MCSAWHRBXRKNGI-XHDPSFHLSA-N 1 1 337.376 1.635 20 5 EDBDMO CN(c1ncc([N+](=O)[O-])c(N)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268461161 442997039 /nfs/dbraw/zinc/99/70/39/442997039.db2.gz DXUHBENPFTZUEM-ZDUSSCGKSA-N 1 1 328.376 1.678 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000191097924 443241153 /nfs/dbraw/zinc/24/11/53/443241153.db2.gz YZQOBRGUKYVXQV-UHFFFAOYSA-N 1 1 325.390 1.372 20 5 EDBDMO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCOCC1 ZINC000414055027 319313831 /nfs/dbraw/zinc/31/38/31/319313831.db2.gz WAVKJEDXOLDYKR-UHFFFAOYSA-N 1 1 335.404 1.707 20 5 EDBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264413096 443282793 /nfs/dbraw/zinc/28/27/93/443282793.db2.gz IFVPSLCHHNNUMX-HSBSLETESA-N 1 1 332.404 1.360 20 5 EDBDMO C[C@H]1CN(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000191439611 443295647 /nfs/dbraw/zinc/29/56/47/443295647.db2.gz DNCGFJYWMKKPSK-HNNXBMFYSA-N 1 1 334.420 1.438 20 5 EDBDMO C[C@H]1C[N@H+](CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000191439611 443295649 /nfs/dbraw/zinc/29/56/49/443295649.db2.gz DNCGFJYWMKKPSK-HNNXBMFYSA-N 1 1 334.420 1.438 20 5 EDBDMO C[C@H]1C[N@@H+](CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000191439611 443295653 /nfs/dbraw/zinc/29/56/53/443295653.db2.gz DNCGFJYWMKKPSK-HNNXBMFYSA-N 1 1 334.420 1.438 20 5 EDBDMO CCOC(=O)CN(C)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282463627 443347392 /nfs/dbraw/zinc/34/73/92/443347392.db2.gz NBSBFVUDEQJMAA-UHFFFAOYSA-N 1 1 337.376 1.091 20 5 EDBDMO CCOC(=O)CN(C)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282463627 443347395 /nfs/dbraw/zinc/34/73/95/443347395.db2.gz NBSBFVUDEQJMAA-UHFFFAOYSA-N 1 1 337.376 1.091 20 5 EDBDMO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282503569 443358326 /nfs/dbraw/zinc/35/83/26/443358326.db2.gz RDDWDHFELCKVPJ-BBRMVZONSA-N 1 1 335.404 1.753 20 5 EDBDMO CNC(=O)C[NH+]1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269612564 443364416 /nfs/dbraw/zinc/36/44/16/443364416.db2.gz FTPSHBNAHWAKTR-UHFFFAOYSA-N 1 1 328.319 1.495 20 5 EDBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000278716495 443411667 /nfs/dbraw/zinc/41/16/67/443411667.db2.gz PBNSRHGJCMEYHM-RHSMWYFYSA-N 1 1 338.404 1.749 20 5 EDBDMO C[NH+](C)C1CCN(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272712801 443418547 /nfs/dbraw/zinc/41/85/47/443418547.db2.gz YFTFKWFGEZLOJB-UHFFFAOYSA-N 1 1 336.392 1.056 20 5 EDBDMO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC(OC)OC ZINC000272777017 443441478 /nfs/dbraw/zinc/44/14/78/443441478.db2.gz XASZGOXZSFUUKB-UHFFFAOYSA-N 1 1 326.349 1.579 20 5 EDBDMO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC(OC)OC ZINC000272777017 443441482 /nfs/dbraw/zinc/44/14/82/443441482.db2.gz XASZGOXZSFUUKB-UHFFFAOYSA-N 1 1 326.349 1.579 20 5 EDBDMO C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000264751920 443406608 /nfs/dbraw/zinc/40/66/08/443406608.db2.gz RIERIZADHFBWIX-WFASDCNBSA-N 1 1 335.408 1.201 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000272888651 443480751 /nfs/dbraw/zinc/48/07/51/443480751.db2.gz YBDXQFJIEAQXHS-GFCCVEGCSA-N 1 1 338.364 1.446 20 5 EDBDMO COC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273039344 443525768 /nfs/dbraw/zinc/52/57/68/443525768.db2.gz OPYOSVOBYHDQOA-VXGBXAGGSA-N 1 1 326.349 1.075 20 5 EDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000279199041 443533436 /nfs/dbraw/zinc/53/34/36/443533436.db2.gz LIYOTJTVDCPTBX-LBPRGKRZSA-N 1 1 348.403 1.502 20 5 EDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000279024655 443494374 /nfs/dbraw/zinc/49/43/74/443494374.db2.gz PAANLSONNZNRRW-LLVKDONJSA-N 1 1 329.360 1.667 20 5 EDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)nc1 ZINC000273571412 443580620 /nfs/dbraw/zinc/58/06/20/443580620.db2.gz DIEZKPOEAKSJFJ-GDBMZVCRSA-N 1 1 343.387 1.680 20 5 EDBDMO O=C(C[N@@H+]1CC[C@H](CCCO)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000452123094 320242930 /nfs/dbraw/zinc/24/29/30/320242930.db2.gz HZACVCULXGQWBN-ZDUSSCGKSA-N 1 1 333.388 1.578 20 5 EDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(F)cc1[N+](=O)[O-] ZINC000452390816 320248754 /nfs/dbraw/zinc/24/87/54/320248754.db2.gz OYSAHGHSYWWUDD-GFCCVEGCSA-N 1 1 325.340 1.311 20 5 EDBDMO C[C@H](C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000459813185 320350006 /nfs/dbraw/zinc/35/00/06/320350006.db2.gz SDKTWMLEGWAPTK-DGCLKSJQSA-N 1 1 342.396 1.062 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491559416 320371924 /nfs/dbraw/zinc/37/19/24/320371924.db2.gz AGLJRGZRLYLFDY-WHLNPGIBSA-N 1 1 346.387 1.064 20 5 EDBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491561066 320372077 /nfs/dbraw/zinc/37/20/77/320372077.db2.gz IFVPSLCHHNNUMX-WBTMPAOCSA-N 1 1 332.404 1.360 20 5 EDBDMO COCCOCCOCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000276326959 443688538 /nfs/dbraw/zinc/68/85/38/443688538.db2.gz ZZJBJFVKVDDZFT-UHFFFAOYSA-N 1 1 342.392 1.585 20 5 EDBDMO CN(C)C(=O)CCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000514610965 320429694 /nfs/dbraw/zinc/42/96/94/320429694.db2.gz FGEIRNCPDRLXDK-UHFFFAOYSA-N 1 1 348.403 1.221 20 5 EDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000298327394 443747579 /nfs/dbraw/zinc/74/75/79/443747579.db2.gz VDOCQVXRWDFIAD-CYBMUJFWSA-N 1 1 341.371 1.775 20 5 EDBDMO NS(=O)(=O)c1ccc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000298718363 443848334 /nfs/dbraw/zinc/84/83/34/443848334.db2.gz NFKAGRWHKMXCNV-STQMWFEESA-N 1 1 340.405 1.281 20 5 EDBDMO CC[C@@H](C)[N@@H+](CC(=O)OC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281233115 443855141 /nfs/dbraw/zinc/85/51/41/443855141.db2.gz FNQBKNYILPWWKB-OLZOCXBDSA-N 1 1 340.376 1.608 20 5 EDBDMO CC[C@@H](C)[N@H+](CC(=O)OC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281233115 443855145 /nfs/dbraw/zinc/85/51/45/443855145.db2.gz FNQBKNYILPWWKB-OLZOCXBDSA-N 1 1 340.376 1.608 20 5 EDBDMO CNC(=O)[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000281245542 443858154 /nfs/dbraw/zinc/85/81/54/443858154.db2.gz UTQAWNZIWKVACG-MEDUHNTESA-N 1 1 334.376 1.380 20 5 EDBDMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285157719 443876795 /nfs/dbraw/zinc/87/67/95/443876795.db2.gz AJEDRHKTHYWRIM-HIFRSBDPSA-N 1 1 335.404 1.753 20 5 EDBDMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285157719 443876796 /nfs/dbraw/zinc/87/67/96/443876796.db2.gz AJEDRHKTHYWRIM-HIFRSBDPSA-N 1 1 335.404 1.753 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000281417765 443905870 /nfs/dbraw/zinc/90/58/70/443905870.db2.gz AYARPHMZQIGEQT-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000281417765 443905873 /nfs/dbraw/zinc/90/58/73/443905873.db2.gz AYARPHMZQIGEQT-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO CCOc1cc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000281516603 443933029 /nfs/dbraw/zinc/93/30/29/443933029.db2.gz ZCMHFJJUSURQAW-OLZOCXBDSA-N 1 1 335.360 1.924 20 5 EDBDMO COC(=O)Cn1cc(CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000285420130 443977753 /nfs/dbraw/zinc/97/77/53/443977753.db2.gz VQFAPUNAMFELRR-UHFFFAOYSA-N 1 1 347.375 1.076 20 5 EDBDMO COCC[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299212141 443983906 /nfs/dbraw/zinc/98/39/06/443983906.db2.gz HQERIYMGMWVNIG-UHFFFAOYSA-N 1 1 337.376 1.154 20 5 EDBDMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000299412877 444039868 /nfs/dbraw/zinc/03/98/68/444039868.db2.gz RRGOKZXMGLJNHW-HNNXBMFYSA-N 1 1 346.387 1.021 20 5 EDBDMO CO[C@@H](C)C[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285497382 444007645 /nfs/dbraw/zinc/00/76/45/444007645.db2.gz COXHNCXQSWMGQH-VIFPVBQESA-N 1 1 325.321 1.229 20 5 EDBDMO CO[C@@H](C)C[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285497382 444007647 /nfs/dbraw/zinc/00/76/47/444007647.db2.gz COXHNCXQSWMGQH-VIFPVBQESA-N 1 1 325.321 1.229 20 5 EDBDMO COc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000285674467 444067785 /nfs/dbraw/zinc/06/77/85/444067785.db2.gz HIAHPFDURSSLOB-KGLIPLIRSA-N 1 1 335.360 1.149 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301807612 444191553 /nfs/dbraw/zinc/19/15/53/444191553.db2.gz FTRBXURBMWPJOU-AWEZNQCLSA-N 1 1 336.367 1.652 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000301956553 444197921 /nfs/dbraw/zinc/19/79/21/444197921.db2.gz KZDHJIXYSDNWNO-OAHLLOKOSA-N 1 1 332.404 1.822 20 5 EDBDMO Cc1nc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301964296 444198754 /nfs/dbraw/zinc/19/87/54/444198754.db2.gz NRFWSXAWXFFVAF-AWEZNQCLSA-N 1 1 333.392 1.217 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(N3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)nn21 ZINC000302005755 444200142 /nfs/dbraw/zinc/20/01/42/444200142.db2.gz SYXCAFDVKQMCRP-XQQFMLRXSA-N 1 1 328.376 1.558 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 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O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000342384615 444668109 /nfs/dbraw/zinc/66/81/09/444668109.db2.gz VGWURVPJUSNRRQ-GJZGRUSLSA-N 1 1 346.387 1.868 20 5 EDBDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000341039953 444646854 /nfs/dbraw/zinc/64/68/54/444646854.db2.gz DYYAYFHWNSOFDI-UEKVPHQBSA-N 1 1 337.376 1.633 20 5 EDBDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000341039953 444646858 /nfs/dbraw/zinc/64/68/58/444646858.db2.gz DYYAYFHWNSOFDI-UEKVPHQBSA-N 1 1 337.376 1.633 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000342606677 444772619 /nfs/dbraw/zinc/77/26/19/444772619.db2.gz QPIGYLPPRDBBFW-AWEZNQCLSA-N 1 1 343.387 1.327 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000342606677 444772621 /nfs/dbraw/zinc/77/26/21/444772621.db2.gz QPIGYLPPRDBBFW-AWEZNQCLSA-N 1 1 343.387 1.327 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1Cn1ccnn1 ZINC000344402396 444942969 /nfs/dbraw/zinc/94/29/69/444942969.db2.gz XYXWPNLBJVKMDW-KGLIPLIRSA-N 1 1 347.375 1.091 20 5 EDBDMO COCC[NH+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342921464 444942559 /nfs/dbraw/zinc/94/25/59/444942559.db2.gz PHOKZWASHUMOTE-UHFFFAOYSA-N 1 1 332.360 1.480 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1Cn1ccnn1 ZINC000344402400 444942688 /nfs/dbraw/zinc/94/26/88/444942688.db2.gz XYXWPNLBJVKMDW-ZIAGYGMSSA-N 1 1 347.375 1.091 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000337284148 445015112 /nfs/dbraw/zinc/01/51/12/445015112.db2.gz JIIVPAKGINUCQG-KLHDSHLOSA-N 1 1 338.408 1.168 20 5 EDBDMO O=c1[nH]c(N[C@@H]2CCn3cc[nH+]c3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000343034514 445019274 /nfs/dbraw/zinc/01/92/74/445019274.db2.gz AVAFRTVDYLKUNW-SECBINFHSA-N 1 1 326.316 1.867 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1C[C@@H](OC)C[N@@H+]1C ZINC000344543357 445047779 /nfs/dbraw/zinc/04/77/79/445047779.db2.gz VXWDFMMPFIXJJZ-QWHCGFSZSA-N 1 1 337.376 1.395 20 5 EDBDMO COc1ccc(NC(=O)CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000330600923 445054961 /nfs/dbraw/zinc/05/49/61/445054961.db2.gz VMIADCSPWRSWTH-RYUDHWBXSA-N 1 1 336.392 1.566 20 5 EDBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000337605526 445162902 /nfs/dbraw/zinc/16/29/02/445162902.db2.gz PPSFWSLCXHKOSZ-CVEARBPZSA-N 1 1 347.419 1.933 20 5 EDBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000337605528 445163277 /nfs/dbraw/zinc/16/32/77/445163277.db2.gz PPSFWSLCXHKOSZ-HOTGVXAUSA-N 1 1 347.419 1.933 20 5 EDBDMO CNS(=O)(=O)c1ccc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343484011 445231453 /nfs/dbraw/zinc/23/14/53/445231453.db2.gz VOIDTEXXEDGNOU-CMPLNLGQSA-N 1 1 342.421 1.398 20 5 EDBDMO Cn1nccc1C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000348370638 445269342 /nfs/dbraw/zinc/26/93/42/445269342.db2.gz WEGYCCCYCOFZKY-UHFFFAOYSA-N 1 1 345.359 1.758 20 5 EDBDMO Cc1noc([C@H](C)[NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)n1 ZINC000348112373 445273247 /nfs/dbraw/zinc/27/32/47/445273247.db2.gz QFFPNHPRUFNXFG-VIFPVBQESA-N 1 1 347.331 1.935 20 5 EDBDMO O=C(C[N@H+]1CCC[C@@H]2COCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000362453822 445390114 /nfs/dbraw/zinc/39/01/14/445390114.db2.gz PORBEEGAVLPHPQ-ZBFHGGJFSA-N 1 1 345.399 1.985 20 5 EDBDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)C1CC1 ZINC000359827689 445448637 /nfs/dbraw/zinc/44/86/37/445448637.db2.gz CQUOPLUKXDKHGQ-CQSZACIVSA-N 1 1 342.403 1.711 20 5 EDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000362604017 445459397 /nfs/dbraw/zinc/45/93/97/445459397.db2.gz XMDQCKMHRBGXFX-GFCCVEGCSA-N 1 1 349.387 1.461 20 5 EDBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362719803 445517185 /nfs/dbraw/zinc/51/71/85/445517185.db2.gz OODYMSJUYKRMRC-KBPBESRZSA-N 1 1 349.387 1.343 20 5 EDBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362719803 445517188 /nfs/dbraw/zinc/51/71/88/445517188.db2.gz OODYMSJUYKRMRC-KBPBESRZSA-N 1 1 349.387 1.343 20 5 EDBDMO CC(C)(C(=O)NCC[N@@H+]1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000349088054 445501187 /nfs/dbraw/zinc/50/11/87/445501187.db2.gz XCRLXRWPVVKXJH-UHFFFAOYSA-N 1 1 335.404 1.711 20 5 EDBDMO CC(C)(C(=O)NCC[N@H+]1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000349088054 445501190 /nfs/dbraw/zinc/50/11/90/445501190.db2.gz XCRLXRWPVVKXJH-UHFFFAOYSA-N 1 1 335.404 1.711 20 5 EDBDMO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3C[N@@H+](C4CC4)CCO3)c21 ZINC000357322779 445547309 /nfs/dbraw/zinc/54/73/09/445547309.db2.gz IPGVVTJYMMYRBY-LBPRGKRZSA-N 1 1 329.360 1.813 20 5 EDBDMO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3C[N@H+](C4CC4)CCO3)c21 ZINC000357322779 445547312 /nfs/dbraw/zinc/54/73/12/445547312.db2.gz IPGVVTJYMMYRBY-LBPRGKRZSA-N 1 1 329.360 1.813 20 5 EDBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000353706292 445717390 /nfs/dbraw/zinc/71/73/90/445717390.db2.gz GKGHBQBKHYGRIW-UHFFFAOYSA-N 1 1 332.320 1.070 20 5 EDBDMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000360896483 445737875 /nfs/dbraw/zinc/73/78/75/445737875.db2.gz GNMMURCVTOVULG-CQSZACIVSA-N 1 1 342.403 1.429 20 5 EDBDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000358790372 445776257 /nfs/dbraw/zinc/77/62/57/445776257.db2.gz JMBPVOWXZUPXRR-UHOFOFEASA-N 1 1 331.376 1.630 20 5 EDBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000356459556 445802814 /nfs/dbraw/zinc/80/28/14/445802814.db2.gz BRQADEZQLHSNSZ-UHFFFAOYSA-N 1 1 331.376 1.710 20 5 EDBDMO COc1ccccc1[C@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])[NH+](C)C ZINC000354068869 445885904 /nfs/dbraw/zinc/88/59/04/445885904.db2.gz UJOPGAFHYDBTLV-LBPRGKRZSA-N 1 1 347.375 1.668 20 5 EDBDMO COc1ccc(OCC[N@@H+](CCO)[C@H]2CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000361587837 445834778 /nfs/dbraw/zinc/83/47/78/445834778.db2.gz XBRDODWIUQRPLV-JSGCOSHPSA-N 1 1 340.376 1.454 20 5 EDBDMO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(N)c([N+](=O)[O-])c1 ZINC000369086958 445920135 /nfs/dbraw/zinc/92/01/35/445920135.db2.gz CLEVPOLSRKEWRO-HIFRSBDPSA-N 1 1 348.403 1.157 20 5 EDBDMO C[C@@H]1CC[S@@](=O)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000369214487 445998000 /nfs/dbraw/zinc/99/80/00/445998000.db2.gz LDSYBJXTUUSBBG-SFDCACGMSA-N 1 1 339.417 1.766 20 5 EDBDMO C[C@@H]1CC[S@@](=O)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000369214487 445998005 /nfs/dbraw/zinc/99/80/05/445998005.db2.gz LDSYBJXTUUSBBG-SFDCACGMSA-N 1 1 339.417 1.766 20 5 EDBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369269732 446033461 /nfs/dbraw/zinc/03/34/61/446033461.db2.gz XJQNKVHGAIHISC-CYBMUJFWSA-N 1 1 332.404 1.493 20 5 EDBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369269732 446033465 /nfs/dbraw/zinc/03/34/65/446033465.db2.gz XJQNKVHGAIHISC-CYBMUJFWSA-N 1 1 332.404 1.493 20 5 EDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000356812653 446043690 /nfs/dbraw/zinc/04/36/90/446043690.db2.gz JMKAKLWDNUOEJK-STQMWFEESA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000356812653 446043692 /nfs/dbraw/zinc/04/36/92/446043692.db2.gz JMKAKLWDNUOEJK-STQMWFEESA-N 1 1 343.387 1.945 20 5 EDBDMO CN(C(=O)CN1CC[C@H]2CC[N@@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000373143815 446055709 /nfs/dbraw/zinc/05/57/09/446055709.db2.gz YDXIODFGMSFKOR-CJNGLKHVSA-N 1 1 332.404 1.584 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000354314318 446105801 /nfs/dbraw/zinc/10/58/01/446105801.db2.gz AGNOMDHXOWKUEI-CYBMUJFWSA-N 1 1 348.403 1.696 20 5 EDBDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351579108 446176967 /nfs/dbraw/zinc/17/69/67/446176967.db2.gz FYCVIXWQEFKXFB-JTQLQIEISA-N 1 1 338.339 1.083 20 5 EDBDMO COC(=O)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000351611572 446205528 /nfs/dbraw/zinc/20/55/28/446205528.db2.gz RMJQDSPAHJORCE-ABAIWWIYSA-N 1 1 337.376 1.559 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000376189068 446373251 /nfs/dbraw/zinc/37/32/51/446373251.db2.gz RWPGKHQLVWTWLL-STQMWFEESA-N 1 1 349.387 1.965 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[NH2+]CC1(F)F ZINC000420271480 446443607 /nfs/dbraw/zinc/44/36/07/446443607.db2.gz CRHMSQAHPOCKKU-SECBINFHSA-N 1 1 328.319 1.611 20 5 EDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000374831182 446410795 /nfs/dbraw/zinc/41/07/95/446410795.db2.gz XBEIJFLIFTZUFJ-JVLSTEMRSA-N 1 1 348.378 1.872 20 5 EDBDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000452842464 446483284 /nfs/dbraw/zinc/48/32/84/446483284.db2.gz IAHUEVXVJYNEIK-GOEBONIOSA-N 1 1 333.388 1.631 20 5 EDBDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000452842464 446483288 /nfs/dbraw/zinc/48/32/88/446483288.db2.gz IAHUEVXVJYNEIK-GOEBONIOSA-N 1 1 333.388 1.631 20 5 EDBDMO O=C(CC[N@@H+]1CC[C@](O)(C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000376469070 446515450 /nfs/dbraw/zinc/51/54/50/446515450.db2.gz OGCORTFAWWJTPT-MRXNPFEDSA-N 1 1 337.351 1.909 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000375025532 446523717 /nfs/dbraw/zinc/52/37/17/446523717.db2.gz ZNIPJQRWHXLTAX-IOASZLSFSA-N 1 1 332.404 1.948 20 5 EDBDMO Cn1ncc2c1CCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000411847764 446695806 /nfs/dbraw/zinc/69/58/06/446695806.db2.gz MTIIKCMIJJDVHY-HNNXBMFYSA-N 1 1 346.387 1.516 20 5 EDBDMO COc1cc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c([N+](=O)[O-])cc1OC ZINC000368230261 446724334 /nfs/dbraw/zinc/72/43/34/446724334.db2.gz WEUGTCSOVAFTQP-LLVKDONJSA-N 1 1 332.360 1.982 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411962061 446764517 /nfs/dbraw/zinc/76/45/17/446764517.db2.gz YXTLJNLMFGAPKC-NWDGAFQWSA-N 1 1 334.376 1.332 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411962061 446764524 /nfs/dbraw/zinc/76/45/24/446764524.db2.gz YXTLJNLMFGAPKC-NWDGAFQWSA-N 1 1 334.376 1.332 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000420730460 446776876 /nfs/dbraw/zinc/77/68/76/446776876.db2.gz DGABMJUPXVYMJZ-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO CN(C(=O)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000412046594 446808006 /nfs/dbraw/zinc/80/80/06/446808006.db2.gz NUYBQEKLDZKNID-XEZPLFJOSA-N 1 1 333.388 1.650 20 5 EDBDMO CN1C[C@@H]2[C@@H](CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000375517843 446866258 /nfs/dbraw/zinc/86/62/58/446866258.db2.gz BAEKAIAJEPQTNQ-IUODEOHRSA-N 1 1 346.387 1.476 20 5 EDBDMO C[C@@H](F)CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420968918 446939032 /nfs/dbraw/zinc/93/90/32/446939032.db2.gz ATBFBBYJMAIYIJ-LLVKDONJSA-N 1 1 333.385 1.553 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000368657576 447010309 /nfs/dbraw/zinc/01/03/09/447010309.db2.gz HELFPSYHLHINMP-CVEARBPZSA-N 1 1 333.388 1.574 20 5 EDBDMO COc1ccc(NC(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000455096688 447048886 /nfs/dbraw/zinc/04/88/86/447048886.db2.gz HTKVQELZSQMNLN-LLVKDONJSA-N 1 1 338.364 1.134 20 5 EDBDMO COc1ccc(NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000455096688 447048893 /nfs/dbraw/zinc/04/88/93/447048893.db2.gz HTKVQELZSQMNLN-LLVKDONJSA-N 1 1 338.364 1.134 20 5 EDBDMO Cc1c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000375792593 447054084 /nfs/dbraw/zinc/05/40/84/447054084.db2.gz LSELQTGNNPHIHT-HOTGVXAUSA-N 1 1 333.388 1.574 20 5 EDBDMO CCOc1cc(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000419325742 447092779 /nfs/dbraw/zinc/09/27/79/447092779.db2.gz BGYVRYZHPUJHMQ-ZIAGYGMSSA-N 1 1 337.420 1.880 20 5 EDBDMO CC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000421383856 447145400 /nfs/dbraw/zinc/14/54/00/447145400.db2.gz DREPFYSKOIOMLO-HNNXBMFYSA-N 1 1 343.387 1.706 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425519509 447209474 /nfs/dbraw/zinc/20/94/74/447209474.db2.gz XAKPFJAILFVJNA-ZIAGYGMSSA-N 1 1 347.375 1.263 20 5 EDBDMO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1OC ZINC000421703106 447224011 /nfs/dbraw/zinc/22/40/11/447224011.db2.gz LNEYAMSXIJHLPI-LBPRGKRZSA-N 1 1 337.376 1.778 20 5 EDBDMO Cc1nc(CN2CCC[C@H]([N@@H+](C)CCn3ccc([N+](=O)[O-])n3)C2)no1 ZINC000372714890 447240521 /nfs/dbraw/zinc/24/05/21/447240521.db2.gz LXLHJZQMSRBXEB-ZDUSSCGKSA-N 1 1 349.395 1.079 20 5 EDBDMO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372714967 447241089 /nfs/dbraw/zinc/24/10/89/447241089.db2.gz MCXUTLZLVXIJNJ-STQMWFEESA-N 1 1 335.408 1.694 20 5 EDBDMO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372714967 447241095 /nfs/dbraw/zinc/24/10/95/447241095.db2.gz MCXUTLZLVXIJNJ-STQMWFEESA-N 1 1 335.408 1.694 20 5 EDBDMO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372749702 447267486 /nfs/dbraw/zinc/26/74/86/447267486.db2.gz ILNJPZUKJOJGLE-ZIAGYGMSSA-N 1 1 328.372 2.418 20 5 EDBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000372825429 447304234 /nfs/dbraw/zinc/30/42/34/447304234.db2.gz QRNJGNXIRLAMEG-STQMWFEESA-N 1 1 337.351 1.717 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000372825429 447304238 /nfs/dbraw/zinc/30/42/38/447304238.db2.gz QRNJGNXIRLAMEG-STQMWFEESA-N 1 1 337.351 1.717 20 5 EDBDMO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000450317463 447452015 /nfs/dbraw/zinc/45/20/15/447452015.db2.gz KSVNUBNXKFMNKF-OAHLLOKOSA-N 1 1 328.372 2.418 20 5 EDBDMO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000450317463 447452021 /nfs/dbraw/zinc/45/20/21/447452021.db2.gz KSVNUBNXKFMNKF-OAHLLOKOSA-N 1 1 328.372 2.418 20 5 EDBDMO Cc1ccc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000416553586 447645540 /nfs/dbraw/zinc/64/55/40/447645540.db2.gz CLTPRCGEDLNIQV-ZDUSSCGKSA-N 1 1 341.433 1.913 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC2)c(C)cc1[N+](=O)[O-] ZINC000416463035 447609902 /nfs/dbraw/zinc/60/99/02/447609902.db2.gz AKVWLLRYLVESKM-UHFFFAOYSA-N 1 1 341.433 1.926 20 5 EDBDMO O=C(CC[N@@H+]1CC[C@@](O)(C(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451432314 447731865 /nfs/dbraw/zinc/73/18/65/447731865.db2.gz OMWDGSZDHNQDNP-AWEZNQCLSA-N 1 1 329.303 1.625 20 5 EDBDMO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000429761979 447757152 /nfs/dbraw/zinc/75/71/52/447757152.db2.gz PCJIICYIQBMHEM-STQMWFEESA-N 1 1 345.359 1.649 20 5 EDBDMO COC[C@@]1(CO)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451926084 447785361 /nfs/dbraw/zinc/78/53/61/447785361.db2.gz HJHASKAFQSMEBL-RDJZCZTQSA-N 1 1 349.387 1.031 20 5 EDBDMO COC[C@@]1(CO)CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451926084 447785365 /nfs/dbraw/zinc/78/53/65/447785365.db2.gz HJHASKAFQSMEBL-RDJZCZTQSA-N 1 1 349.387 1.031 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000530940891 447987803 /nfs/dbraw/zinc/98/78/03/447987803.db2.gz CUMGSNQONFWFKB-LLVKDONJSA-N 1 1 342.421 1.529 20 5 EDBDMO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525699702 448013989 /nfs/dbraw/zinc/01/39/89/448013989.db2.gz NWFJWCOTNXZMEM-LLVKDONJSA-N 1 1 328.394 1.143 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525699702 448013996 /nfs/dbraw/zinc/01/39/96/448013996.db2.gz NWFJWCOTNXZMEM-LLVKDONJSA-N 1 1 328.394 1.143 20 5 EDBDMO COc1ccc(CC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000525540230 448004451 /nfs/dbraw/zinc/00/44/51/448004451.db2.gz NCJWOUWIXGMGCI-OCCSQVGLSA-N 1 1 335.404 1.945 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCO[C@H]3CCCCO3)CC2)cn1 ZINC000576421803 448051161 /nfs/dbraw/zinc/05/11/61/448051161.db2.gz NEXDJZDPWJPTBI-INIZCTEOSA-N 1 1 336.392 1.655 20 5 EDBDMO CC(C)N1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000571074636 448105763 /nfs/dbraw/zinc/10/57/63/448105763.db2.gz XYPNZAIYPMFMJL-MRXNPFEDSA-N 1 1 337.420 1.797 20 5 EDBDMO CC(C)[NH+]1CCC(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000571074636 448105768 /nfs/dbraw/zinc/10/57/68/448105768.db2.gz XYPNZAIYPMFMJL-MRXNPFEDSA-N 1 1 337.420 1.797 20 5 EDBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000505295920 448112376 /nfs/dbraw/zinc/11/23/76/448112376.db2.gz OBNHWKLXTGTUOU-ZDUSSCGKSA-N 1 1 329.360 1.712 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491792619 448125161 /nfs/dbraw/zinc/12/51/61/448125161.db2.gz HPQDGKBLKWLCPE-SDQPKGBYSA-N 1 1 336.367 1.109 20 5 EDBDMO CNS(=O)(=O)[C@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000527054798 448149186 /nfs/dbraw/zinc/14/91/86/448149186.db2.gz AYZIYSLIGKAXNP-PINLSGDHSA-N 1 1 339.417 1.622 20 5 EDBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000527054798 448149187 /nfs/dbraw/zinc/14/91/87/448149187.db2.gz AYZIYSLIGKAXNP-PINLSGDHSA-N 1 1 339.417 1.622 20 5 EDBDMO CNc1nccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000557522953 448184854 /nfs/dbraw/zinc/18/48/54/448184854.db2.gz HBYOKIHDLJIOBD-RYUDHWBXSA-N 1 1 335.408 1.882 20 5 EDBDMO COc1ccc(NC(=O)CN2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000577080876 448207865 /nfs/dbraw/zinc/20/78/65/448207865.db2.gz CHDBEODSGHYSEL-UHFFFAOYSA-N 1 1 336.392 1.568 20 5 EDBDMO COc1cc(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000532347960 448241551 /nfs/dbraw/zinc/24/15/51/448241551.db2.gz VGQSICQMOURPQL-NSHDSACASA-N 1 1 343.405 1.224 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000571979332 448251453 /nfs/dbraw/zinc/25/14/53/448251453.db2.gz KTULCXGCDZLJDN-LLVKDONJSA-N 1 1 348.403 1.608 20 5 EDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492804679 448298430 /nfs/dbraw/zinc/29/84/30/448298430.db2.gz XLPLVCSNSAMMGR-CEKUCVKPSA-N 1 1 333.388 1.522 20 5 EDBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000564466243 448330688 /nfs/dbraw/zinc/33/06/88/448330688.db2.gz LSXQWIAXLBFRNL-ZDUSSCGKSA-N 1 1 349.435 2.416 20 5 EDBDMO CNc1nccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000565850402 448381242 /nfs/dbraw/zinc/38/12/42/448381242.db2.gz MGOKZBPWRFJAQY-GFCCVEGCSA-N 1 1 335.408 2.026 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1(C)C ZINC000566459137 448480571 /nfs/dbraw/zinc/48/05/71/448480571.db2.gz FETNVUHJTJVDDK-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1(C)C ZINC000566459137 448480578 /nfs/dbraw/zinc/48/05/78/448480578.db2.gz FETNVUHJTJVDDK-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO C[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000518315174 448663069 /nfs/dbraw/zinc/66/30/69/448663069.db2.gz ZBISMLXHBWGVJP-BBRMVZONSA-N 1 1 335.404 1.661 20 5 EDBDMO CCC[N@@H+]1CCC[C@H]1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000518966437 448725704 /nfs/dbraw/zinc/72/57/04/448725704.db2.gz NMGAMQRWXYCJHA-HOTGVXAUSA-N 1 1 337.420 1.799 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000518966437 448725707 /nfs/dbraw/zinc/72/57/07/448725707.db2.gz NMGAMQRWXYCJHA-HOTGVXAUSA-N 1 1 337.420 1.799 20 5 EDBDMO Cc1cc(C[C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000574071872 448785951 /nfs/dbraw/zinc/78/59/51/448785951.db2.gz NLUPWQBXIMVTPA-FZMZJTMJSA-N 1 1 334.376 1.587 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000520424820 448897645 /nfs/dbraw/zinc/89/76/45/448897645.db2.gz CJJLSYBBIDVFNL-INIZCTEOSA-N 1 1 335.404 1.900 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000520424820 448897650 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CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183974904 528546437 /nfs/dbraw/zinc/54/64/37/528546437.db2.gz VIALUTHDDBAEMG-UHFFFAOYSA-N 1 1 347.318 1.240 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000131192619 529042614 /nfs/dbraw/zinc/04/26/14/529042614.db2.gz BSERFGYYTNATFQ-UHFFFAOYSA-N 1 1 327.406 1.452 20 5 EDBDMO CC[C@@H](C)[N@@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000347467868 535556570 /nfs/dbraw/zinc/55/65/70/535556570.db2.gz FMHPOCBHOSMIMY-GFCCVEGCSA-N 1 1 337.376 1.986 20 5 EDBDMO CNS(=O)(=O)c1ccc(NCC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000271821348 536319374 /nfs/dbraw/zinc/31/93/74/536319374.db2.gz NIBQPPCRWDXFDK-UHFFFAOYSA-N 1 1 340.405 1.177 20 5 EDBDMO COC1(C)CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000271714790 536561595 /nfs/dbraw/zinc/56/15/95/536561595.db2.gz JSAFOZIUUADSQS-UHFFFAOYSA-N 1 1 333.388 1.985 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000347943354 536877038 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1 1 336.392 1.568 20 5 EDBDMO CC[N@H+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000754224643 579898764 /nfs/dbraw/zinc/89/87/64/579898764.db2.gz MQCVUNFPINPBGB-GFCCVEGCSA-N 1 1 335.360 1.339 20 5 EDBDMO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000754505598 579904597 /nfs/dbraw/zinc/90/45/97/579904597.db2.gz OXAROYLURHLPTR-CQSZACIVSA-N 1 1 340.380 1.128 20 5 EDBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000762792023 580083480 /nfs/dbraw/zinc/08/34/80/580083480.db2.gz ZGARHCNYYZRGDC-MRXNPFEDSA-N 1 1 340.387 1.984 20 5 EDBDMO CN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000778268946 580460371 /nfs/dbraw/zinc/46/03/71/580460371.db2.gz JHYHHMAQJVFDLF-NSHDSACASA-N 1 1 347.400 1.908 20 5 EDBDMO COC(=O)C[C@@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCOC1 ZINC000769787844 580244894 /nfs/dbraw/zinc/24/48/94/580244894.db2.gz CHYPBAJNDHRROW-INIZCTEOSA-N 1 1 348.359 1.673 20 5 EDBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776577970 580421891 /nfs/dbraw/zinc/42/18/91/580421891.db2.gz BNSWVWKKMAHICI-ZBFHGGJFSA-N 1 1 335.404 1.866 20 5 EDBDMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000780865039 580535676 /nfs/dbraw/zinc/53/56/76/580535676.db2.gz HZKWGXRGXJPVOQ-CYBMUJFWSA-N 1 1 341.433 1.541 20 5 EDBDMO C[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)[C@@H](C)C[N@@H+]1C ZINC000782044369 580564834 /nfs/dbraw/zinc/56/48/34/580564834.db2.gz SBKGTWWPFXQLNA-WQGACYEGSA-N 1 1 346.387 1.639 20 5 EDBDMO C[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)[C@@H](C)C[N@H+]1C ZINC000782044369 580564835 /nfs/dbraw/zinc/56/48/35/580564835.db2.gz SBKGTWWPFXQLNA-WQGACYEGSA-N 1 1 346.387 1.639 20 5 EDBDMO COC(=O)[C@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C ZINC000787242388 580690467 /nfs/dbraw/zinc/69/04/67/580690467.db2.gz UWOWOXUCPVIZCY-RISCZKNCSA-N 1 1 345.359 1.694 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C ZINC000787242388 580690468 /nfs/dbraw/zinc/69/04/68/580690468.db2.gz UWOWOXUCPVIZCY-RISCZKNCSA-N 1 1 345.359 1.694 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)[C@H]1C ZINC000787244186 580690529 /nfs/dbraw/zinc/69/05/29/580690529.db2.gz MXBKPCWYGNZYEX-CMPLNLGQSA-N 1 1 333.348 1.489 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)[C@H]1C ZINC000787244186 580690530 /nfs/dbraw/zinc/69/05/30/580690530.db2.gz MXBKPCWYGNZYEX-CMPLNLGQSA-N 1 1 333.348 1.489 20 5 EDBDMO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000788486090 580722622 /nfs/dbraw/zinc/72/26/22/580722622.db2.gz SCOILPHQMREXNG-CQSZACIVSA-N 1 1 326.324 1.480 20 5 EDBDMO CN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)CC1 ZINC000888998924 590753898 /nfs/dbraw/zinc/75/38/98/590753898.db2.gz RBBUIOUEWUWTDK-VMPITWQZSA-N 1 1 332.404 1.314 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000804777653 590766602 /nfs/dbraw/zinc/76/66/02/590766602.db2.gz CHVZQQKGPNLPIL-HNNXBMFYSA-N 1 1 345.403 1.935 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000891345499 591051242 /nfs/dbraw/zinc/05/12/42/591051242.db2.gz WJOKKEVHFHCCFZ-CYBMUJFWSA-N 1 1 329.360 1.789 20 5 EDBDMO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896553413 591518365 /nfs/dbraw/zinc/51/83/65/591518365.db2.gz AGNURPLMEMUYEQ-XJKSGUPXSA-N 1 1 348.447 1.623 20 5 EDBDMO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896557231 591521648 /nfs/dbraw/zinc/52/16/48/591521648.db2.gz SRGCJICJPCKEEQ-XJKSGUPXSA-N 1 1 334.420 1.278 20 5 EDBDMO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896557231 591521654 /nfs/dbraw/zinc/52/16/54/591521654.db2.gz SRGCJICJPCKEEQ-XJKSGUPXSA-N 1 1 334.420 1.278 20 5 EDBDMO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896557231 591521656 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O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3ccnc(F)c3)CC2)c1 ZINC000831459136 594634046 /nfs/dbraw/zinc/63/40/46/594634046.db2.gz YODXVERJGRXCDT-INIZCTEOSA-N 1 1 346.362 1.985 20 5 EDBDMO COc1cc(OCC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000827328867 594661534 /nfs/dbraw/zinc/66/15/34/594661534.db2.gz FQZWWPLFOQINFG-JSGCOSHPSA-N 1 1 349.387 1.535 20 5 EDBDMO CCN1CC[NH+](CC(C)(C)NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000837132596 595040448 /nfs/dbraw/zinc/04/04/48/595040448.db2.gz AQBMSOCZCSSQIX-UHFFFAOYSA-N 1 1 328.457 1.354 20 5 EDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCOCC1 ZINC000843749501 595178452 /nfs/dbraw/zinc/17/84/52/595178452.db2.gz JSOLKTCYXXTAHH-UHFFFAOYSA-N 1 1 325.340 1.494 20 5 EDBDMO COc1cc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c([N+](=O)[O-])cc1O ZINC000848577174 595407466 /nfs/dbraw/zinc/40/74/66/595407466.db2.gz BCYXKUYPXMOIMH-NSHDSACASA-N 1 1 337.332 1.382 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861708347 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O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000738357102 598523698 /nfs/dbraw/zinc/52/36/98/598523698.db2.gz BHJNZSPNAFWTDE-LLVKDONJSA-N 1 1 340.347 1.882 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915283060 695780702 /nfs/dbraw/zinc/78/07/02/695780702.db2.gz DLHWDVPIODWZJU-UHFFFAOYSA-N 1 1 349.391 1.029 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000917654457 697059282 /nfs/dbraw/zinc/05/92/82/697059282.db2.gz HCRQPWHWLKUUAE-CHWSQXEVSA-N 1 1 339.417 1.808 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc(F)cn1 ZINC001031625839 697360404 /nfs/dbraw/zinc/36/04/04/697360404.db2.gz MSGLJHBVURSOEN-UHFFFAOYSA-N 1 1 344.346 1.991 20 5 EDBDMO Cc1n[nH]c(C)c1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001032056779 703455706 /nfs/dbraw/zinc/45/57/06/703455706.db2.gz SEIFNOFTWULDKS-UHFFFAOYSA-N 1 1 343.387 1.797 20 5 EDBDMO COC(=O)COc1ccc(CN[C@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000922557206 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1 347.375 1.031 20 5 EDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174724838 530004492 /nfs/dbraw/zinc/00/44/92/530004492.db2.gz XWRBJNAJMSSOOD-ZDUSSCGKSA-N 1 1 335.320 1.192 20 5 EDBDMO CCN(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000066883029 215090313 /nfs/dbraw/zinc/09/03/13/215090313.db2.gz ZFFXYLHHELAPET-UHFFFAOYSA-N 1 1 341.433 1.841 20 5 EDBDMO CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000067419245 215142874 /nfs/dbraw/zinc/14/28/74/215142874.db2.gz HBXKAFRRNJKBEN-TZMCWYRMSA-N 1 1 348.403 1.770 20 5 EDBDMO CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000067419245 215142876 /nfs/dbraw/zinc/14/28/76/215142876.db2.gz HBXKAFRRNJKBEN-TZMCWYRMSA-N 1 1 348.403 1.770 20 5 EDBDMO C[NH+](C)[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccco1 ZINC000179947119 233580270 /nfs/dbraw/zinc/58/02/70/233580270.db2.gz REHNXJXTIVFGEG-LBPRGKRZSA-N 1 1 347.327 1.949 20 5 EDBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181878421 234364976 /nfs/dbraw/zinc/36/49/76/234364976.db2.gz KVKGKRZYMWSLEG-DZGCQCFKSA-N 1 1 349.387 1.078 20 5 EDBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181878421 234364980 /nfs/dbraw/zinc/36/49/80/234364980.db2.gz KVKGKRZYMWSLEG-DZGCQCFKSA-N 1 1 349.387 1.078 20 5 EDBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000090089659 138277590 /nfs/dbraw/zinc/27/75/90/138277590.db2.gz DZOHWFKCEPOWKX-HUUCEWRRSA-N 1 1 334.376 1.970 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000090089659 138277591 /nfs/dbraw/zinc/27/75/91/138277591.db2.gz DZOHWFKCEPOWKX-HUUCEWRRSA-N 1 1 334.376 1.970 20 5 EDBDMO C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000123737543 138320761 /nfs/dbraw/zinc/32/07/61/138320761.db2.gz AHRWZNILLVTWOK-LLVKDONJSA-N 1 1 345.396 1.744 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000186845488 236040021 /nfs/dbraw/zinc/04/00/21/236040021.db2.gz UMPPBGNRCPRGNB-JTQLQIEISA-N 1 1 342.783 1.779 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000194760230 139000160 /nfs/dbraw/zinc/00/01/60/139000160.db2.gz WGCQLPKNXUQIGT-AWEZNQCLSA-N 1 1 333.388 1.698 20 5 EDBDMO COC(=O)CNC(=O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111196407 220107411 /nfs/dbraw/zinc/10/74/11/220107411.db2.gz OPTYJSQWYNFBOU-UHFFFAOYSA-N 1 1 343.767 1.359 20 5 EDBDMO COC(=O)CNC(=O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111196407 220107415 /nfs/dbraw/zinc/10/74/15/220107415.db2.gz OPTYJSQWYNFBOU-UHFFFAOYSA-N 1 1 343.767 1.359 20 5 EDBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081239041 217374494 /nfs/dbraw/zinc/37/44/94/217374494.db2.gz CKDJIPJVDNMNKO-CYBMUJFWSA-N 1 1 327.768 1.537 20 5 EDBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081239041 217374495 /nfs/dbraw/zinc/37/44/95/217374495.db2.gz CKDJIPJVDNMNKO-CYBMUJFWSA-N 1 1 327.768 1.537 20 5 EDBDMO C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245409944 139072663 /nfs/dbraw/zinc/07/26/63/139072663.db2.gz ORTYYMQXTLJZHN-UONOGXRCSA-N 1 1 347.419 1.877 20 5 EDBDMO C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245409944 139072664 /nfs/dbraw/zinc/07/26/64/139072664.db2.gz ORTYYMQXTLJZHN-UONOGXRCSA-N 1 1 347.419 1.877 20 5 EDBDMO C[C@@H](CCO)[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245547348 139078860 /nfs/dbraw/zinc/07/88/60/139078860.db2.gz XMWUECJXNWOFQH-WMLDXEAASA-N 1 1 348.403 1.425 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245538503 139078399 /nfs/dbraw/zinc/07/83/99/139078399.db2.gz ZDTMIZHSUJPTKY-ZYHUDNBSSA-N 1 1 335.360 1.736 20 5 EDBDMO COc1cccc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000248751838 139174285 /nfs/dbraw/zinc/17/42/85/139174285.db2.gz HBWBNCAMQPPBAM-RYUDHWBXSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1cccc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000248751838 139174286 /nfs/dbraw/zinc/17/42/86/139174286.db2.gz HBWBNCAMQPPBAM-RYUDHWBXSA-N 1 1 337.376 1.131 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000252007160 139203942 /nfs/dbraw/zinc/20/39/42/139203942.db2.gz XXNHPWYINYMHFI-MNOVXSKESA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000252007160 139203943 /nfs/dbraw/zinc/20/39/43/139203943.db2.gz XXNHPWYINYMHFI-MNOVXSKESA-N 1 1 325.340 1.261 20 5 EDBDMO Cc1c(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)cccc1[N+](=O)[O-] ZINC000261788372 139226103 /nfs/dbraw/zinc/22/61/03/139226103.db2.gz UCULPVGMKINEBB-CQSZACIVSA-N 1 1 329.360 1.423 20 5 EDBDMO C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000153132171 224062432 /nfs/dbraw/zinc/06/24/32/224062432.db2.gz HZKOINCTQOMSDJ-LLVKDONJSA-N 1 1 327.406 1.497 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424337493 252198430 /nfs/dbraw/zinc/19/84/30/252198430.db2.gz SBJCTDGPCKYBJT-CHWSQXEVSA-N 1 1 336.392 1.792 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1N ZINC000424337493 252198434 /nfs/dbraw/zinc/19/84/34/252198434.db2.gz SBJCTDGPCKYBJT-CHWSQXEVSA-N 1 1 336.392 1.792 20 5 EDBDMO CC(C)[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000488014226 255041239 /nfs/dbraw/zinc/04/12/39/255041239.db2.gz YIGPHWCDALBZJX-RDJZCZTQSA-N 1 1 337.420 1.607 20 5 EDBDMO CC(C)[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000488014226 255041241 /nfs/dbraw/zinc/04/12/41/255041241.db2.gz YIGPHWCDALBZJX-RDJZCZTQSA-N 1 1 337.420 1.607 20 5 EDBDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000488014226 255041243 /nfs/dbraw/zinc/04/12/43/255041243.db2.gz YIGPHWCDALBZJX-RDJZCZTQSA-N 1 1 337.420 1.607 20 5 EDBDMO CCOCC[NH+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000491726586 255145245 /nfs/dbraw/zinc/14/52/45/255145245.db2.gz CJPJMHOQWAKOIF-VOTSOKGWSA-N 1 1 333.388 1.789 20 5 EDBDMO CNC(=O)[C@@H]1CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117336455 221055167 /nfs/dbraw/zinc/05/51/67/221055167.db2.gz MFXLRVMXQBMSQC-LBPRGKRZSA-N 1 1 348.359 1.103 20 5 EDBDMO COc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000174331126 533304725 /nfs/dbraw/zinc/30/47/25/533304725.db2.gz KHXGUTUHPQSNJY-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000174331126 533304730 /nfs/dbraw/zinc/30/47/30/533304730.db2.gz KHXGUTUHPQSNJY-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1ccc(CCC[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174748098 533469992 /nfs/dbraw/zinc/46/99/92/533469992.db2.gz LYZZKPNXEKWKJY-MRXNPFEDSA-N 1 1 348.403 1.725 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000270356063 140085045 /nfs/dbraw/zinc/08/50/45/140085045.db2.gz HPTGVTFUCGSHIX-UHFFFAOYSA-N 1 1 339.367 1.653 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000270544586 140121017 /nfs/dbraw/zinc/12/10/17/140121017.db2.gz YJRUUDKFZYKISD-WDEREUQCSA-N 1 1 341.437 1.388 20 5 EDBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000270755860 140162710 /nfs/dbraw/zinc/16/27/10/140162710.db2.gz DICBFEKGHRPQAT-LLVKDONJSA-N 1 1 326.784 1.224 20 5 EDBDMO C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000271306004 140274737 /nfs/dbraw/zinc/27/47/37/140274737.db2.gz KECGBDHFHDNKLI-QMMMGPOBSA-N 1 1 335.389 1.812 20 5 EDBDMO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@H+]1C ZINC000332241960 141145891 /nfs/dbraw/zinc/14/58/91/141145891.db2.gz JJNVQLAZICIUGS-OLZOCXBDSA-N 1 1 332.404 1.508 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3OC)[C@H]2C1 ZINC000339385971 142033277 /nfs/dbraw/zinc/03/32/77/142033277.db2.gz SQZJCPHNKZFPLP-HOTGVXAUSA-N 1 1 335.404 1.898 20 5 EDBDMO CCOC(=O)C(C)(C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339786146 142155728 /nfs/dbraw/zinc/15/57/28/142155728.db2.gz DSPFBJDNPZECGI-ZDUSSCGKSA-N 1 1 340.376 1.608 20 5 EDBDMO CCOC(=O)C(C)(C)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339786146 142155730 /nfs/dbraw/zinc/15/57/30/142155730.db2.gz DSPFBJDNPZECGI-ZDUSSCGKSA-N 1 1 340.376 1.608 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OCCO)CC1 ZINC000339828744 142169715 /nfs/dbraw/zinc/16/97/15/142169715.db2.gz OJMXZSVNWMFZKU-GFCCVEGCSA-N 1 1 337.376 1.395 20 5 EDBDMO [NH3+]CC1CCC(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000345194454 143062962 /nfs/dbraw/zinc/06/29/62/143062962.db2.gz YRONVYPUXHYEAS-UHFFFAOYSA-N 1 1 345.396 1.777 20 5 EDBDMO COC(=O)C(C)(C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000346017602 143157940 /nfs/dbraw/zinc/15/79/40/143157940.db2.gz BAQJYZULDJVVBL-GFCCVEGCSA-N 1 1 326.349 1.218 20 5 EDBDMO COC(=O)C(C)(C)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000346017602 143157941 /nfs/dbraw/zinc/15/79/41/143157941.db2.gz BAQJYZULDJVVBL-GFCCVEGCSA-N 1 1 326.349 1.218 20 5 EDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346205707 143178738 /nfs/dbraw/zinc/17/87/38/143178738.db2.gz VHNWLWXIKLGVCZ-DMDPSCGWSA-N 1 1 334.376 1.498 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C(N)=O ZINC000346639511 143225047 /nfs/dbraw/zinc/22/50/47/143225047.db2.gz DMQTZYSNNVTCDI-YGRLFVJLSA-N 1 1 330.344 1.803 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000347234663 143298292 /nfs/dbraw/zinc/29/82/92/143298292.db2.gz ZUFSPVDRQOTLRM-SMDDNHRTSA-N 1 1 335.360 1.807 20 5 EDBDMO CC[C@@H](CO)[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347352169 143312062 /nfs/dbraw/zinc/31/20/62/143312062.db2.gz SDXMPYNKOXIDOO-RDJZCZTQSA-N 1 1 348.403 1.425 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000347432621 143320228 /nfs/dbraw/zinc/32/02/28/143320228.db2.gz OWWINTLVSQZLOS-UHFFFAOYSA-N 1 1 346.347 1.081 20 5 EDBDMO COc1cc(C[NH+]2CCC(CS(N)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000352780809 149162893 /nfs/dbraw/zinc/16/28/93/149162893.db2.gz VXRQSHRMCIBVKK-UHFFFAOYSA-N 1 1 343.405 1.104 20 5 EDBDMO C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000352874439 149198964 /nfs/dbraw/zinc/19/89/64/149198964.db2.gz VZBNMJGDZZQWNS-LBPRGKRZSA-N 1 1 327.406 1.451 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355359744 150233484 /nfs/dbraw/zinc/23/34/84/150233484.db2.gz FKHSIWILNNDOHI-ZIAGYGMSSA-N 1 1 334.376 1.112 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000355364395 150234261 /nfs/dbraw/zinc/23/42/61/150234261.db2.gz KSJKEGVUASEEAJ-KBPBESRZSA-N 1 1 334.376 1.112 20 5 EDBDMO COC(=O)COc1ccc(CN2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000355737405 150380485 /nfs/dbraw/zinc/38/04/85/150380485.db2.gz XLCWQXRNIGRJKM-GFCCVEGCSA-N 1 1 337.376 1.283 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000357572092 151071295 /nfs/dbraw/zinc/07/12/95/151071295.db2.gz PZOFJJVSWBJXJA-SMDDNHRTSA-N 1 1 337.376 1.635 20 5 EDBDMO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CCc4[nH+]ccn4C3)n2)nc1 ZINC000370059880 155306745 /nfs/dbraw/zinc/30/67/45/155306745.db2.gz LWLILQNMJGDXAQ-SNVBAGLBSA-N 1 1 326.316 1.890 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000417160280 304378944 /nfs/dbraw/zinc/37/89/44/304378944.db2.gz PGNVWPJAZGNSBY-WDEREUQCSA-N 1 1 340.355 1.653 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000417160280 304378946 /nfs/dbraw/zinc/37/89/46/304378946.db2.gz PGNVWPJAZGNSBY-WDEREUQCSA-N 1 1 340.355 1.653 20 5 EDBDMO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362026244 152590927 /nfs/dbraw/zinc/59/09/27/152590927.db2.gz MJKGOXJWKYZLEE-KBPBESRZSA-N 1 1 348.359 1.928 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000362713232 152790874 /nfs/dbraw/zinc/79/08/74/152790874.db2.gz ZBRGFPSMENLUAA-INIZCTEOSA-N 1 1 329.356 1.910 20 5 EDBDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000363227425 152929688 /nfs/dbraw/zinc/92/96/88/152929688.db2.gz HYEZMHLEHIEZDP-CYBMUJFWSA-N 1 1 346.391 1.802 20 5 EDBDMO NS(=O)(=O)c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000364085324 153141201 /nfs/dbraw/zinc/14/12/01/153141201.db2.gz HEFFONPSIGJVKG-GHMZBOCLSA-N 1 1 340.405 1.281 20 5 EDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000364180004 153164939 /nfs/dbraw/zinc/16/49/39/153164939.db2.gz ATODBVJGIIOLEQ-NSHDSACASA-N 1 1 327.431 1.920 20 5 EDBDMO CCc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000370222701 155384770 /nfs/dbraw/zinc/38/47/70/155384770.db2.gz MWYWZLFQSIORMU-TZMCWYRMSA-N 1 1 343.387 1.708 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000124387867 292285594 /nfs/dbraw/zinc/28/55/94/292285594.db2.gz RRYNGLHXBMTADE-CQSZACIVSA-N 1 1 347.419 1.289 20 5 EDBDMO O=C1[C@@H]([NH+]2CCC3(CCO3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367086081 154004348 /nfs/dbraw/zinc/00/43/48/154004348.db2.gz SHMNGRLHTNLIKS-HNNXBMFYSA-N 1 1 331.372 1.955 20 5 EDBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])CC2)C1CC1 ZINC000367296398 154069419 /nfs/dbraw/zinc/06/94/19/154069419.db2.gz QBVMZWWMTLJROI-NSHDSACASA-N 1 1 333.392 1.654 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000367694050 154232307 /nfs/dbraw/zinc/23/23/07/154232307.db2.gz BAFOCCIWPUMKMP-GDBMZVCRSA-N 1 1 332.404 1.873 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368086329 154403441 /nfs/dbraw/zinc/40/34/41/154403441.db2.gz WRSDGMJEMCWAAI-TZMCWYRMSA-N 1 1 346.387 1.300 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCO[C@H]3CCC[C@H]32)c1 ZINC000369473875 155048806 /nfs/dbraw/zinc/04/88/06/155048806.db2.gz UIKVRCKYZMSUKY-OIISXLGYSA-N 1 1 336.388 1.978 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CC(=O)N3CCCC3)CC2)n1 ZINC000371976843 156192802 /nfs/dbraw/zinc/19/28/02/156192802.db2.gz AAUDVNCDQHXKQX-UHFFFAOYSA-N 1 1 347.419 1.797 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000374152899 157166654 /nfs/dbraw/zinc/16/66/54/157166654.db2.gz CLJWQONKFXCOJE-PBHICJAKSA-N 1 1 334.420 1.436 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374412738 157281886 /nfs/dbraw/zinc/28/18/86/157281886.db2.gz VWJBWENHVDUPHF-OLZOCXBDSA-N 1 1 349.387 1.900 20 5 EDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000374619564 157346485 /nfs/dbraw/zinc/34/64/85/157346485.db2.gz KEQCWLFPHJLOGD-QGZVFWFLSA-N 1 1 347.415 1.707 20 5 EDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000374619564 157346489 /nfs/dbraw/zinc/34/64/89/157346489.db2.gz KEQCWLFPHJLOGD-QGZVFWFLSA-N 1 1 347.415 1.707 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000378450305 158177701 /nfs/dbraw/zinc/17/77/01/158177701.db2.gz OWFHKSAMLDCPLI-IUODEOHRSA-N 1 1 346.387 1.394 20 5 EDBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@H](C)O ZINC000352186863 162038155 /nfs/dbraw/zinc/03/81/55/162038155.db2.gz OJPSTHQFSVDTCM-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352501221 162215899 /nfs/dbraw/zinc/21/58/99/162215899.db2.gz SUPXIRJPPZLASJ-JTQLQIEISA-N 1 1 333.435 1.809 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352501221 162215904 /nfs/dbraw/zinc/21/59/04/162215904.db2.gz SUPXIRJPPZLASJ-JTQLQIEISA-N 1 1 333.435 1.809 20 5 EDBDMO Cc1c(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000365185038 162353661 /nfs/dbraw/zinc/35/36/61/162353661.db2.gz MLJVCIPTJNZGOY-QWHCGFSZSA-N 1 1 334.376 1.888 20 5 EDBDMO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C1([NH+]2CCOCC2)CCCC1 ZINC000120494799 287005854 /nfs/dbraw/zinc/00/58/54/287005854.db2.gz WXELQKFNTSPXNI-LLVKDONJSA-N 1 1 337.380 1.081 20 5 EDBDMO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000077761566 287290010 /nfs/dbraw/zinc/29/00/10/287290010.db2.gz MUUBCKSFPHNDFF-AWEZNQCLSA-N 1 1 342.417 1.873 20 5 EDBDMO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000077761566 287290013 /nfs/dbraw/zinc/29/00/13/287290013.db2.gz MUUBCKSFPHNDFF-AWEZNQCLSA-N 1 1 342.417 1.873 20 5 EDBDMO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000158973368 225120335 /nfs/dbraw/zinc/12/03/35/225120335.db2.gz RFDVDYQMMPYDCI-ZDUSSCGKSA-N 1 1 329.360 1.885 20 5 EDBDMO C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000124101871 222376790 /nfs/dbraw/zinc/37/67/90/222376790.db2.gz FXEIMJQWMJXPRM-HNNXBMFYSA-N 1 1 348.447 1.670 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273399169 268043307 /nfs/dbraw/zinc/04/33/07/268043307.db2.gz WBBOWRFZYZWGBW-BLLLJJGKSA-N 1 1 338.360 1.220 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000274330401 273084316 /nfs/dbraw/zinc/08/43/16/273084316.db2.gz AGLBEZTWCOUEAH-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000274330401 273084317 /nfs/dbraw/zinc/08/43/17/273084317.db2.gz AGLBEZTWCOUEAH-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO COC(=O)c1cc(N2CC[N@@H+]3CCOC[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000371804537 274000112 /nfs/dbraw/zinc/00/01/12/274000112.db2.gz YAVVDNYREFUGCU-CYBMUJFWSA-N 1 1 335.360 1.211 20 5 EDBDMO COC(=O)c1cc(N2CC[N@H+]3CCOC[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000371804537 274000116 /nfs/dbraw/zinc/00/01/16/274000116.db2.gz YAVVDNYREFUGCU-CYBMUJFWSA-N 1 1 335.360 1.211 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000354518963 274099763 /nfs/dbraw/zinc/09/97/63/274099763.db2.gz XQLCLCBGYCNKEU-LLVKDONJSA-N 1 1 343.405 1.318 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000354518963 274099764 /nfs/dbraw/zinc/09/97/64/274099764.db2.gz XQLCLCBGYCNKEU-LLVKDONJSA-N 1 1 343.405 1.318 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@](O)(Cn3ccnn3)C2)cc1 ZINC000284539487 274238088 /nfs/dbraw/zinc/23/80/88/274238088.db2.gz KMSMSQACAIDZAY-MRXNPFEDSA-N 1 1 347.375 1.092 20 5 EDBDMO CCC(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+]1CCOCC1 ZINC000285224929 274487910 /nfs/dbraw/zinc/48/79/10/274487910.db2.gz QIOJLAOLSLNTBX-ZDUSSCGKSA-N 1 1 339.396 1.185 20 5 EDBDMO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000359935730 276217188 /nfs/dbraw/zinc/21/71/88/276217188.db2.gz CZFZENBBCSRVEP-SNVBAGLBSA-N 1 1 333.797 1.621 20 5 EDBDMO CC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000359935730 276217189 /nfs/dbraw/zinc/21/71/89/276217189.db2.gz CZFZENBBCSRVEP-SNVBAGLBSA-N 1 1 333.797 1.621 20 5 EDBDMO C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000357591051 278083302 /nfs/dbraw/zinc/08/33/02/278083302.db2.gz FFKMCSZYPPGLQV-OCCSQVGLSA-N 1 1 343.387 1.837 20 5 EDBDMO C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000357883999 278325507 /nfs/dbraw/zinc/32/55/07/278325507.db2.gz YJUNJMPNRGKRLA-CYBMUJFWSA-N 1 1 347.419 1.956 20 5 EDBDMO C[C@H](CN1CCOCC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000091514443 279318124 /nfs/dbraw/zinc/31/81/24/279318124.db2.gz XENDNFMJNKZFGI-KGLIPLIRSA-N 1 1 335.408 1.197 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289519664 288720349 /nfs/dbraw/zinc/72/03/49/288720349.db2.gz CFOTVXRKIUEGFG-JTQLQIEISA-N 1 1 342.783 1.779 20 5 EDBDMO O=c1[nH]c(N2CCN(c3[nH]cc[nH+]3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000290944197 288978883 /nfs/dbraw/zinc/97/88/83/288978883.db2.gz LVMASQPLLHJTIT-UHFFFAOYSA-N 1 1 341.331 1.293 20 5 EDBDMO C[C@H]1[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000291756628 289172192 /nfs/dbraw/zinc/17/21/92/289172192.db2.gz KZNHNFZWAOVZMU-JSGCOSHPSA-N 1 1 343.387 1.721 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000291860018 289198984 /nfs/dbraw/zinc/19/89/84/289198984.db2.gz KEZVELVFUSIPMD-GFCCVEGCSA-N 1 1 336.392 1.170 20 5 EDBDMO Cc1c(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000292269043 289301814 /nfs/dbraw/zinc/30/18/14/289301814.db2.gz RXYLISRETLKBGD-ZDUSSCGKSA-N 1 1 327.406 1.369 20 5 EDBDMO Cc1c(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000292269043 289301816 /nfs/dbraw/zinc/30/18/16/289301816.db2.gz RXYLISRETLKBGD-ZDUSSCGKSA-N 1 1 327.406 1.369 20 5 EDBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@H+](C2CCC2)C1 ZINC000292419185 289341965 /nfs/dbraw/zinc/34/19/65/289341965.db2.gz WGMRXVWXTGHDKL-NSHDSACASA-N 1 1 333.392 1.399 20 5 EDBDMO COc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000124849905 295197697 /nfs/dbraw/zinc/19/76/97/295197697.db2.gz RPNWWZPFIICYQY-PHIMTYICSA-N 1 1 341.389 1.118 20 5 EDBDMO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000493420392 447326429 /nfs/dbraw/zinc/32/64/29/447326429.db2.gz NZXHYKPHJHKZGQ-WJDZFGBRSA-N 1 1 333.388 1.522 20 5 EDBDMO COc1c(C)cnc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000295184938 303185428 /nfs/dbraw/zinc/18/54/28/303185428.db2.gz QGJWNKYSPZRPPK-CQSZACIVSA-N 1 1 349.391 1.305 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC(C)(C)CO ZINC000295206516 303188400 /nfs/dbraw/zinc/18/84/00/303188400.db2.gz LPKLSJVYPRKFSW-UHFFFAOYSA-N 1 1 325.365 1.492 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC(C)(C)CO ZINC000295206516 303188401 /nfs/dbraw/zinc/18/84/01/303188401.db2.gz LPKLSJVYPRKFSW-UHFFFAOYSA-N 1 1 325.365 1.492 20 5 EDBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295395830 303213444 /nfs/dbraw/zinc/21/34/44/303213444.db2.gz YVSLSWYJLROEAG-LLVKDONJSA-N 1 1 326.784 1.224 20 5 EDBDMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000296343567 303311493 /nfs/dbraw/zinc/31/14/93/303311493.db2.gz ZCGFQHYPINBADZ-ZDUSSCGKSA-N 1 1 348.403 1.784 20 5 EDBDMO [NH3+]C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000262471236 303393558 /nfs/dbraw/zinc/39/35/58/303393558.db2.gz JFTVHASEZHINCT-LLVKDONJSA-N 1 1 331.369 1.530 20 5 EDBDMO CNC(=O)c1ccc(N[C@@H]2CCc3[nH+]c(C)cn3C2)c([N+](=O)[O-])c1 ZINC000301134479 303662497 /nfs/dbraw/zinc/66/24/97/303662497.db2.gz XNYVJWYVIPIJRD-GFCCVEGCSA-N 1 1 329.360 1.886 20 5 EDBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000435042129 305135188 /nfs/dbraw/zinc/13/51/88/305135188.db2.gz LTUZPTVXLCLXFZ-SAYIFAPPSA-N 1 1 344.371 1.672 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000442164183 305226594 /nfs/dbraw/zinc/22/65/94/305226594.db2.gz QXECWKQUCIAXQA-ZYHUDNBSSA-N 1 1 334.376 1.441 20 5 EDBDMO COc1cc(CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000444805831 305253429 /nfs/dbraw/zinc/25/34/29/305253429.db2.gz VUOQLOYRCPBMGF-ZDUSSCGKSA-N 1 1 337.420 1.880 20 5 EDBDMO O=[N+]([O-])c1c(NC[C@@H]2CCC[N@@H+]2CCCO)nc2sccn21 ZINC000450595654 305330264 /nfs/dbraw/zinc/33/02/64/305330264.db2.gz MGVNRWLADPUOHO-JTQLQIEISA-N 1 1 325.394 1.563 20 5 EDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1 ZINC000451301657 305337595 /nfs/dbraw/zinc/33/75/95/305337595.db2.gz OCAXKCNAHDKEOJ-FRFSOERESA-N 1 1 336.388 1.835 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451427533 305345652 /nfs/dbraw/zinc/34/56/52/305345652.db2.gz JMAYYBDJEZHOSF-IINYFYTJSA-N 1 1 332.303 1.036 20 5 EDBDMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550091 305352871 /nfs/dbraw/zinc/35/28/71/305352871.db2.gz QVVKBNIPRAJMRQ-AWEZNQCLSA-N 1 1 349.387 1.454 20 5 EDBDMO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451574721 305354571 /nfs/dbraw/zinc/35/45/71/305354571.db2.gz RWXXLVCSSLASDK-CQSZACIVSA-N 1 1 349.387 1.454 20 5 EDBDMO COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451574721 305354572 /nfs/dbraw/zinc/35/45/72/305354572.db2.gz RWXXLVCSSLASDK-CQSZACIVSA-N 1 1 349.387 1.454 20 5 EDBDMO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000451966452 305374796 /nfs/dbraw/zinc/37/47/96/305374796.db2.gz FFKQDOHIEFHXCS-CYBMUJFWSA-N 1 1 341.433 1.841 20 5 EDBDMO CN(C(=O)C[N@@H+]1CC[C@@H](c2nccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000535316364 306012888 /nfs/dbraw/zinc/01/28/88/306012888.db2.gz AOEWCAIEHFWKBV-CYBMUJFWSA-N 1 1 343.387 1.781 20 5 EDBDMO CN(C(=O)C[N@H+]1CC[C@@H](c2nccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000535316364 306012889 /nfs/dbraw/zinc/01/28/89/306012889.db2.gz AOEWCAIEHFWKBV-CYBMUJFWSA-N 1 1 343.387 1.781 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000544552757 306076228 /nfs/dbraw/zinc/07/62/28/306076228.db2.gz UTWBKZJECBCMCL-LLVKDONJSA-N 1 1 335.360 1.785 20 5 EDBDMO O=C(C[N@H+]1CCC[C@H]1CCO)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000426266438 447409744 /nfs/dbraw/zinc/40/97/44/447409744.db2.gz JGDFUAHEVDWHOR-JTQLQIEISA-N 1 1 337.332 1.109 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@H]1CCO)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000426266438 447409754 /nfs/dbraw/zinc/40/97/54/447409754.db2.gz JGDFUAHEVDWHOR-JTQLQIEISA-N 1 1 337.332 1.109 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000058257273 441166925 /nfs/dbraw/zinc/16/69/25/441166925.db2.gz HFOIFCVPPYKKSD-FNORWQNLSA-N 1 1 339.367 1.832 20 5 EDBDMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc([N+](=O)[O-])c1 ZINC000102788304 441171725 /nfs/dbraw/zinc/17/17/25/441171725.db2.gz OXJHTVLOWDUKTQ-CYBMUJFWSA-N 1 1 348.403 1.220 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000105168777 441239671 /nfs/dbraw/zinc/23/96/71/441239671.db2.gz HQAMRYQFVUEDII-LLVKDONJSA-N 1 1 336.392 1.885 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+]2CCCCC2)cc1C ZINC000060443188 441244375 /nfs/dbraw/zinc/24/43/75/441244375.db2.gz GLDQIVOCNCGXIH-UHFFFAOYSA-N 1 1 341.433 1.976 20 5 EDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000072631771 441243031 /nfs/dbraw/zinc/24/30/31/441243031.db2.gz SXENBDASTGDNEW-RYUDHWBXSA-N 1 1 327.406 1.656 20 5 EDBDMO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000106444022 441343121 /nfs/dbraw/zinc/34/31/21/441343121.db2.gz LTAQSFUZWPEVHL-GFCCVEGCSA-N 1 1 342.783 1.676 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000073842137 441359820 /nfs/dbraw/zinc/35/98/20/441359820.db2.gz XXWHJBVIVIAORF-LBPRGKRZSA-N 1 1 339.417 1.666 20 5 EDBDMO NC(=O)C[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000074392584 441430246 /nfs/dbraw/zinc/43/02/46/441430246.db2.gz HMXVBGVLTBJULN-UHFFFAOYSA-N 1 1 346.309 1.975 20 5 EDBDMO C[C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000074139741 441399288 /nfs/dbraw/zinc/39/92/88/441399288.db2.gz VMMQQEFGBUGAOM-HSBSLETESA-N 1 1 332.404 1.360 20 5 EDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1OCCc2ccccc21 ZINC000075681640 441548205 /nfs/dbraw/zinc/54/82/05/441548205.db2.gz VAXLJIMLVBTCHF-RDJZCZTQSA-N 1 1 346.387 1.398 20 5 EDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000109849185 441510089 /nfs/dbraw/zinc/51/00/89/441510089.db2.gz BVILGZWDHOYLCX-LBPRGKRZSA-N 1 1 329.360 1.462 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000090552632 441634955 /nfs/dbraw/zinc/63/49/55/441634955.db2.gz QCVQXVLXTYFWDN-CYBMUJFWSA-N 1 1 349.309 1.392 20 5 EDBDMO O=c1[nH]cnc2cc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c([N+](=O)[O-])cc21 ZINC000091479819 441704761 /nfs/dbraw/zinc/70/47/61/441704761.db2.gz QFJWOEAYFXDFIY-SNVBAGLBSA-N 1 1 340.343 1.938 20 5 EDBDMO CCc1nn(C)c(N2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000091730740 441733738 /nfs/dbraw/zinc/73/37/38/441733738.db2.gz QYFDGPHKMBTVLP-UHFFFAOYSA-N 1 1 325.413 1.438 20 5 EDBDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174840146 441974715 /nfs/dbraw/zinc/97/47/15/441974715.db2.gz FNYWOUKMJGCXSE-GFCCVEGCSA-N 1 1 339.396 1.638 20 5 EDBDMO COc1cc(S(=O)(=O)NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000150792697 441951831 /nfs/dbraw/zinc/95/18/31/441951831.db2.gz VOEQMYRVGMHTRV-UHFFFAOYSA-N 1 1 343.405 1.368 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2CC(N)=O)cccc1[N+](=O)[O-] ZINC000120541944 442091685 /nfs/dbraw/zinc/09/16/85/442091685.db2.gz NXTYCNFOYFMHKB-CYBMUJFWSA-N 1 1 348.403 1.962 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000162148614 442067991 /nfs/dbraw/zinc/06/79/91/442067991.db2.gz IOXZVUWDZQCCSM-NSHDSACASA-N 1 1 343.405 1.366 20 5 EDBDMO CC(C)(O)[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000162557438 442102512 /nfs/dbraw/zinc/10/25/12/442102512.db2.gz MDHWIHZUUHBKEH-OAHLLOKOSA-N 1 1 333.388 1.719 20 5 EDBDMO Cc1nn(C)c(N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000127082644 442169457 /nfs/dbraw/zinc/16/94/57/442169457.db2.gz OLQQBKOLPSCFEG-CQSZACIVSA-N 1 1 336.440 1.243 20 5 EDBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121003858 442164319 /nfs/dbraw/zinc/16/43/19/442164319.db2.gz PYHORUHZQGZFKO-UHFFFAOYSA-N 1 1 349.435 1.679 20 5 EDBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121003858 442164324 /nfs/dbraw/zinc/16/43/24/442164324.db2.gz PYHORUHZQGZFKO-UHFFFAOYSA-N 1 1 349.435 1.679 20 5 EDBDMO Cc1nn(C)c(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000177069486 442293222 /nfs/dbraw/zinc/29/32/22/442293222.db2.gz IRAVKJKMEGCENB-UHFFFAOYSA-N 1 1 349.366 1.638 20 5 EDBDMO COC(=O)[C@@]1(C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000177442586 442341627 /nfs/dbraw/zinc/34/16/27/442341627.db2.gz DVAOTEXDLCIHLH-INIZCTEOSA-N 1 1 335.360 1.808 20 5 EDBDMO CC(=O)N1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000172011848 442398773 /nfs/dbraw/zinc/39/87/73/442398773.db2.gz UZYICXGJHQXREY-UHFFFAOYSA-N 1 1 338.339 1.227 20 5 EDBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCCO1 ZINC000172172726 442419148 /nfs/dbraw/zinc/41/91/48/442419148.db2.gz WTUBJYYCQWKISV-HNNXBMFYSA-N 1 1 333.388 1.985 20 5 EDBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCCO1 ZINC000172172726 442419151 /nfs/dbraw/zinc/41/91/51/442419151.db2.gz WTUBJYYCQWKISV-HNNXBMFYSA-N 1 1 333.388 1.985 20 5 EDBDMO C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000133927534 442440640 /nfs/dbraw/zinc/44/06/40/442440640.db2.gz LENYIDDANIITLG-DOMZBBRYSA-N 1 1 336.392 1.156 20 5 EDBDMO C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133927534 442440644 /nfs/dbraw/zinc/44/06/44/442440644.db2.gz LENYIDDANIITLG-DOMZBBRYSA-N 1 1 336.392 1.156 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000191877716 442530854 /nfs/dbraw/zinc/53/08/54/442530854.db2.gz LSOUENGFFDDGSS-XJKSGUPXSA-N 1 1 343.387 1.986 20 5 EDBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000173024197 442588610 /nfs/dbraw/zinc/58/86/10/442588610.db2.gz MNDVKCIJPLFSBX-SNVBAGLBSA-N 1 1 343.380 1.497 20 5 EDBDMO Cc1cc(C)c2c(c1)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000186710707 442598453 /nfs/dbraw/zinc/59/84/53/442598453.db2.gz KHHPJRNCLSJKPF-INIZCTEOSA-N 1 1 330.388 1.827 20 5 EDBDMO CCNc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000158074112 442643858 /nfs/dbraw/zinc/64/38/58/442643858.db2.gz YDVXUYINFSLOIG-ABAIWWIYSA-N 1 1 336.392 1.476 20 5 EDBDMO CCNc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000158074112 442643864 /nfs/dbraw/zinc/64/38/64/442643864.db2.gz YDVXUYINFSLOIG-ABAIWWIYSA-N 1 1 336.392 1.476 20 5 EDBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(c2ccccc2)C1=O ZINC000157981892 442633441 /nfs/dbraw/zinc/63/34/41/442633441.db2.gz RNRJLAGGVFLVKO-HNNXBMFYSA-N 1 1 329.360 1.529 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(c2ccccc2)C1=O ZINC000157981892 442633445 /nfs/dbraw/zinc/63/34/45/442633445.db2.gz RNRJLAGGVFLVKO-HNNXBMFYSA-N 1 1 329.360 1.529 20 5 EDBDMO Cc1nccn1CCC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136307855 442659314 /nfs/dbraw/zinc/65/93/14/442659314.db2.gz ZSWKTDDJMISCKB-MRXNPFEDSA-N 1 1 348.403 1.862 20 5 EDBDMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000193763716 442782533 /nfs/dbraw/zinc/78/25/33/442782533.db2.gz NQHTZBVGUVIPNH-ZFWWWQNUSA-N 1 1 342.355 1.871 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000249572391 442988953 /nfs/dbraw/zinc/98/89/53/442988953.db2.gz OPDWQFCXQLZWSQ-NHYWBVRUSA-N 1 1 348.403 1.818 20 5 EDBDMO CC[NH+]1CCN(C(=O)CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000195164622 442991275 /nfs/dbraw/zinc/99/12/75/442991275.db2.gz HSMFTWFJVQBUCC-UHFFFAOYSA-N 1 1 343.387 1.719 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000266079543 443010003 /nfs/dbraw/zinc/01/00/03/443010003.db2.gz BPMPPECTFACWGL-SNVBAGLBSA-N 1 1 343.380 1.497 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000266079543 443010007 /nfs/dbraw/zinc/01/00/07/443010007.db2.gz BPMPPECTFACWGL-SNVBAGLBSA-N 1 1 343.380 1.497 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000266125293 443026151 /nfs/dbraw/zinc/02/61/51/443026151.db2.gz ACWOIVBNBDBYQT-UHFFFAOYSA-N 1 1 337.420 1.957 20 5 EDBDMO NC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000266127857 443027198 /nfs/dbraw/zinc/02/71/98/443027198.db2.gz CTSFIHLYUAUVFI-LBPRGKRZSA-N 1 1 329.360 1.796 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000189941761 443033602 /nfs/dbraw/zinc/03/36/02/443033602.db2.gz ZFTZSVHCODMANB-LBPRGKRZSA-N 1 1 341.433 1.973 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000266150281 443035979 /nfs/dbraw/zinc/03/59/79/443035979.db2.gz KHQPDNMRCQWUHL-UHFFFAOYSA-N 1 1 334.376 1.774 20 5 EDBDMO CC(=O)N1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000268750145 443097008 /nfs/dbraw/zinc/09/70/08/443097008.db2.gz SKESALYHWWBJFX-GFCCVEGCSA-N 1 1 348.403 1.784 20 5 EDBDMO CC(=O)N1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000268750145 443097011 /nfs/dbraw/zinc/09/70/11/443097011.db2.gz SKESALYHWWBJFX-GFCCVEGCSA-N 1 1 348.403 1.784 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000185234079 443167176 /nfs/dbraw/zinc/16/71/76/443167176.db2.gz FIRXNZXMOMMHSK-UHFFFAOYSA-N 1 1 327.406 1.618 20 5 EDBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000268956769 443158812 /nfs/dbraw/zinc/15/88/12/443158812.db2.gz DOPJPXCPLNWVGX-RHSMWYFYSA-N 1 1 346.431 1.894 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000245398622 443224039 /nfs/dbraw/zinc/22/40/39/443224039.db2.gz TZWFGALDTUQZIS-OLZOCXBDSA-N 1 1 348.403 1.899 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000245398622 443224044 /nfs/dbraw/zinc/22/40/44/443224044.db2.gz TZWFGALDTUQZIS-OLZOCXBDSA-N 1 1 348.403 1.899 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190870125 443201127 /nfs/dbraw/zinc/20/11/27/443201127.db2.gz ZFGIDCQOJUHPHZ-STQMWFEESA-N 1 1 339.392 1.295 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000411354608 319177902 /nfs/dbraw/zinc/17/79/02/319177902.db2.gz JIMSIXHAHABWRX-QWHCGFSZSA-N 1 1 348.403 1.749 20 5 EDBDMO CCOC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411555646 319184156 /nfs/dbraw/zinc/18/41/56/319184156.db2.gz SLFSVALTKQWXIX-CQSZACIVSA-N 1 1 335.360 1.951 20 5 EDBDMO CCOC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411555646 319184158 /nfs/dbraw/zinc/18/41/58/319184158.db2.gz SLFSVALTKQWXIX-CQSZACIVSA-N 1 1 335.360 1.951 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000191499121 443304277 /nfs/dbraw/zinc/30/42/77/443304277.db2.gz RDUXYBDBTHFXEO-UHFFFAOYSA-N 1 1 343.387 1.599 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCc3ccccc3C2)n1 ZINC000191499121 443304280 /nfs/dbraw/zinc/30/42/80/443304280.db2.gz RDUXYBDBTHFXEO-UHFFFAOYSA-N 1 1 343.387 1.599 20 5 EDBDMO C[NH+](C)[C@@]1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000267104801 443343656 /nfs/dbraw/zinc/34/36/56/443343656.db2.gz LPWNIWKENGPKEZ-OAHLLOKOSA-N 1 1 349.416 1.638 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264611969 443346794 /nfs/dbraw/zinc/34/67/94/443346794.db2.gz NYEDHKSJYRRTMM-LBPRGKRZSA-N 1 1 335.408 1.971 20 5 EDBDMO CCC[NH+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272539555 443355815 /nfs/dbraw/zinc/35/58/15/443355815.db2.gz NIVKFDOIHYNNPO-UHFFFAOYSA-N 1 1 335.389 1.767 20 5 EDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000269615653 443365213 /nfs/dbraw/zinc/36/52/13/443365213.db2.gz SCLIARPDXUQDQD-RYUDHWBXSA-N 1 1 335.408 1.998 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000269615653 443365218 /nfs/dbraw/zinc/36/52/18/443365218.db2.gz SCLIARPDXUQDQD-RYUDHWBXSA-N 1 1 335.408 1.998 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000269615653 443365227 /nfs/dbraw/zinc/36/52/27/443365227.db2.gz SCLIARPDXUQDQD-RYUDHWBXSA-N 1 1 335.408 1.998 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000264666370 443366104 /nfs/dbraw/zinc/36/61/04/443366104.db2.gz IMLJDQRVEPAZCV-LBPRGKRZSA-N 1 1 331.376 1.052 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264743559 443402028 /nfs/dbraw/zinc/40/20/28/443402028.db2.gz KXQHMKKXVJUNDP-ZDUSSCGKSA-N 1 1 335.360 1.387 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000272679294 443406787 /nfs/dbraw/zinc/40/67/87/443406787.db2.gz VDRHEJKFSBBDCB-NHYWBVRUSA-N 1 1 347.371 1.548 20 5 EDBDMO C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272935669 443494048 /nfs/dbraw/zinc/49/40/48/443494048.db2.gz LMEYGPKCGIMDKE-GFCCVEGCSA-N 1 1 347.371 1.553 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n1C ZINC000265117825 443539606 /nfs/dbraw/zinc/53/96/06/443539606.db2.gz MUOWRTREXJTNGP-UHFFFAOYSA-N 1 1 342.359 1.806 20 5 EDBDMO COCCC[N@@H+](CCOC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272941637 443495801 /nfs/dbraw/zinc/49/58/01/443495801.db2.gz NNDIGFPCUXMRQP-AWEZNQCLSA-N 1 1 342.392 1.319 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000279271516 443546903 /nfs/dbraw/zinc/54/69/03/443546903.db2.gz JEIIISKAZVKHAN-SUYBPPKGSA-N 1 1 336.388 1.834 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000279271516 443546904 /nfs/dbraw/zinc/54/69/04/443546904.db2.gz JEIIISKAZVKHAN-SUYBPPKGSA-N 1 1 336.388 1.834 20 5 EDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286136510 443653947 /nfs/dbraw/zinc/65/39/47/443653947.db2.gz HOFRVRHUAGQINY-AWEZNQCLSA-N 1 1 336.367 1.477 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000439345559 320044932 /nfs/dbraw/zinc/04/49/32/320044932.db2.gz FVQWRBBAOZBMKK-GFCCVEGCSA-N 1 1 348.403 1.703 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000286206327 443667847 /nfs/dbraw/zinc/66/78/47/443667847.db2.gz OFAXIGTVCBIQIS-ADEWGFFLSA-N 1 1 334.376 1.283 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000276199979 443668496 /nfs/dbraw/zinc/66/84/96/443668496.db2.gz IJWTVCUPPBPPOX-GFCCVEGCSA-N 1 1 326.784 2.000 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286386080 443703169 /nfs/dbraw/zinc/70/31/69/443703169.db2.gz GUNSVYOPPGOKIA-ZIAGYGMSSA-N 1 1 337.376 1.777 20 5 EDBDMO CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CC)C(=O)OCC ZINC000276790350 443828536 /nfs/dbraw/zinc/82/85/36/443828536.db2.gz KFLRFPCKXNMSSF-ZIAGYGMSSA-N 1 1 342.396 1.206 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000298896314 443895554 /nfs/dbraw/zinc/89/55/54/443895554.db2.gz LZQJJMZSQPTWEF-CYBMUJFWSA-N 1 1 348.403 1.703 20 5 EDBDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000298896314 443895561 /nfs/dbraw/zinc/89/55/61/443895561.db2.gz LZQJJMZSQPTWEF-CYBMUJFWSA-N 1 1 348.403 1.703 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000288369680 443858713 /nfs/dbraw/zinc/85/87/13/443858713.db2.gz JTOWATWUHRJALR-SNVBAGLBSA-N 1 1 336.348 1.978 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000288369680 443858716 /nfs/dbraw/zinc/85/87/16/443858716.db2.gz JTOWATWUHRJALR-SNVBAGLBSA-N 1 1 336.348 1.978 20 5 EDBDMO C[N@H+]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000298782957 443867218 /nfs/dbraw/zinc/86/72/18/443867218.db2.gz XYMWBHUXZQVRGF-UHFFFAOYSA-N 1 1 340.767 1.351 20 5 EDBDMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000535224193 320714263 /nfs/dbraw/zinc/71/42/63/320714263.db2.gz DQNYNUAWHABPPB-QWRGUYRKSA-N 1 1 335.360 1.531 20 5 EDBDMO C[C@H](Cc1[nH]cc[nH+]1)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000543960766 320789699 /nfs/dbraw/zinc/78/96/99/320789699.db2.gz XJWCCNZTLCBRNR-SECBINFHSA-N 1 1 348.315 1.633 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000299438258 444046943 /nfs/dbraw/zinc/04/69/43/444046943.db2.gz YCSMMQXMVUBKIK-GFCCVEGCSA-N 1 1 334.376 1.218 20 5 EDBDMO CC[NH+]1CCC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000299447364 444048622 /nfs/dbraw/zinc/04/86/22/444048622.db2.gz RNQKYAFIEFLQEV-UHFFFAOYSA-N 1 1 331.369 1.497 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000288970523 444025418 /nfs/dbraw/zinc/02/54/18/444025418.db2.gz UMEIWOSEZKSNFE-UHFFFAOYSA-N 1 1 338.412 1.084 20 5 EDBDMO COc1cccc([C@H]2C[C@H](O)C[N@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000282070288 444078588 /nfs/dbraw/zinc/07/85/88/444078588.db2.gz HBSQDADBHATNKQ-GOEBONIOSA-N 1 1 332.360 1.608 20 5 EDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000299486608 444059274 /nfs/dbraw/zinc/05/92/74/444059274.db2.gz BDRWHQGLKFZTMR-GASCZTMLSA-N 1 1 333.436 1.985 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1CC[NH+](CC2CC2)CC1 ZINC000564444296 321132127 /nfs/dbraw/zinc/13/21/27/321132127.db2.gz NNUGGOYVWQRSNT-INIZCTEOSA-N 1 1 349.431 1.799 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCN(CC2CC2)CC1 ZINC000564444296 321132129 /nfs/dbraw/zinc/13/21/29/321132129.db2.gz NNUGGOYVWQRSNT-INIZCTEOSA-N 1 1 349.431 1.799 20 5 EDBDMO COc1cccc([C@@H]2C[C@H](O)C[N@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000282160981 444101783 /nfs/dbraw/zinc/10/17/83/444101783.db2.gz LSJWFTTVRBVZKZ-ZFWWWQNUSA-N 1 1 332.360 1.608 20 5 EDBDMO CCS(=O)(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000289467641 444151703 /nfs/dbraw/zinc/15/17/03/444151703.db2.gz PCERBWXURNZRLE-UHFFFAOYSA-N 1 1 327.406 1.499 20 5 EDBDMO Cc1nc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ncc1[N+](=O)[O-] ZINC000296963371 444265594 /nfs/dbraw/zinc/26/55/94/444265594.db2.gz CSDDIYMBSQRJPV-AWEZNQCLSA-N 1 1 334.424 1.300 20 5 EDBDMO C[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000305709906 444273851 /nfs/dbraw/zinc/27/38/51/444273851.db2.gz XFNPXBWBKGLBCM-DLBZAZTESA-N 1 1 345.403 1.141 20 5 EDBDMO CN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000305709906 444273858 /nfs/dbraw/zinc/27/38/58/444273858.db2.gz XFNPXBWBKGLBCM-DLBZAZTESA-N 1 1 345.403 1.141 20 5 EDBDMO CN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000305709906 444273861 /nfs/dbraw/zinc/27/38/61/444273861.db2.gz XFNPXBWBKGLBCM-DLBZAZTESA-N 1 1 345.403 1.141 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)cc1C ZINC000317420352 444315277 /nfs/dbraw/zinc/31/52/77/444315277.db2.gz JABFVYYXLHWODK-UHFFFAOYSA-N 1 1 327.406 1.584 20 5 EDBDMO O=c1[nH]cnc2cc(NCC[NH+]3CCSCC3)c([N+](=O)[O-])cc21 ZINC000323816470 444347067 /nfs/dbraw/zinc/34/70/67/444347067.db2.gz JBUQOMDYFNWNFN-UHFFFAOYSA-N 1 1 335.389 1.704 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](O)[C@H]1C ZINC000298054904 444399465 /nfs/dbraw/zinc/39/94/65/444399465.db2.gz FRBHUHJBYPUNAK-RISCZKNCSA-N 1 1 337.376 1.777 20 5 EDBDMO CCN1CC[NH+](CCC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000338030488 444492130 /nfs/dbraw/zinc/49/21/30/444492130.db2.gz YDTKUEWEXIPFNU-UHFFFAOYSA-N 1 1 334.420 1.581 20 5 EDBDMO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000338272521 444602901 /nfs/dbraw/zinc/60/29/01/444602901.db2.gz ZVXSLRXKHCKVMI-GFCCVEGCSA-N 1 1 339.417 1.234 20 5 EDBDMO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000338272521 444602904 /nfs/dbraw/zinc/60/29/04/444602904.db2.gz ZVXSLRXKHCKVMI-GFCCVEGCSA-N 1 1 339.417 1.234 20 5 EDBDMO C[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000343999261 444718711 /nfs/dbraw/zinc/71/87/11/444718711.db2.gz FPUXTXHHRMUIQD-UKRRQHHQSA-N 1 1 334.420 1.833 20 5 EDBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344052675 444751632 /nfs/dbraw/zinc/75/16/32/444751632.db2.gz IKKVZMIBYYZRPS-NOLJZWGESA-N 1 1 331.372 1.187 20 5 EDBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344056590 444754142 /nfs/dbraw/zinc/75/41/42/444754142.db2.gz JUKINOMIGHFCFG-DUVNUKRYSA-N 1 1 331.372 1.187 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)n2)c1 ZINC000344069295 444763861 /nfs/dbraw/zinc/76/38/61/444763861.db2.gz QXEIXOBQMCEHMX-UBHSHLNASA-N 1 1 330.344 1.848 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000344098307 444780774 /nfs/dbraw/zinc/78/07/74/444780774.db2.gz YLPATFYCAHDLTB-CQDKDKBSSA-N 1 1 340.401 1.071 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000344098307 444780777 /nfs/dbraw/zinc/78/07/77/444780777.db2.gz YLPATFYCAHDLTB-CQDKDKBSSA-N 1 1 340.401 1.071 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000342760635 444852606 /nfs/dbraw/zinc/85/26/06/444852606.db2.gz ZRKAPAYXQDTDRS-ZIAGYGMSSA-N 1 1 346.387 1.937 20 5 EDBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc2c(c1)NC(=O)CO2 ZINC000341588834 444909559 /nfs/dbraw/zinc/90/95/59/444909559.db2.gz GHGKZRJIVZKHFW-SECBINFHSA-N 1 1 331.332 1.510 20 5 EDBDMO O=C(CC[N@@H+]1CCSC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000337329582 445034783 /nfs/dbraw/zinc/03/47/83/445034783.db2.gz ZVSVQQZHOCITDN-NSHDSACASA-N 1 1 325.390 1.333 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000344490529 445007271 /nfs/dbraw/zinc/00/72/71/445007271.db2.gz DQJHEPVZVAJSGZ-DZGCQCFKSA-N 1 1 337.376 1.151 20 5 EDBDMO Cc1cc(C(=O)NCC(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000330817037 445152528 /nfs/dbraw/zinc/15/25/28/445152528.db2.gz RFFMTJWSQNMNPO-STQMWFEESA-N 1 1 348.403 1.184 20 5 EDBDMO C[C@@H]1[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCC[N@H+]1C ZINC000343448035 445224866 /nfs/dbraw/zinc/22/48/66/445224866.db2.gz PQSSQPXPYZMXFH-OLZOCXBDSA-N 1 1 343.387 1.993 20 5 EDBDMO C[C@@H]1[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[N@H+]1C ZINC000343450190 445225147 /nfs/dbraw/zinc/22/51/47/445225147.db2.gz QQBOKLQYISNZTN-YPMHNXCESA-N 1 1 349.387 1.507 20 5 EDBDMO C[C@@H]1[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343455726 445226102 /nfs/dbraw/zinc/22/61/02/445226102.db2.gz JQSNKNJZBXHVKB-KOLCDFICSA-N 1 1 328.394 1.137 20 5 EDBDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000343516062 445237173 /nfs/dbraw/zinc/23/71/73/445237173.db2.gz KNARYAXHPDIJDN-CMPLNLGQSA-N 1 1 337.376 1.825 20 5 EDBDMO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000343528576 445239087 /nfs/dbraw/zinc/23/90/87/445239087.db2.gz ALUGBYLIMDEBFQ-GHMZBOCLSA-N 1 1 345.446 1.870 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)[N@@H+](C)C1 ZINC000343579583 445249679 /nfs/dbraw/zinc/24/96/79/445249679.db2.gz KDNFLUGJDQBGRD-NWDGAFQWSA-N 1 1 340.355 1.917 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000354477872 445254600 /nfs/dbraw/zinc/25/46/00/445254600.db2.gz UCNBFOJWZJFOTH-VXGBXAGGSA-N 1 1 348.403 1.647 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000354477872 445254606 /nfs/dbraw/zinc/25/46/06/445254606.db2.gz UCNBFOJWZJFOTH-VXGBXAGGSA-N 1 1 348.403 1.647 20 5 EDBDMO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000348214072 445318187 /nfs/dbraw/zinc/31/81/87/445318187.db2.gz KELTYXOQGQFNES-MRXNPFEDSA-N 1 1 332.404 1.726 20 5 EDBDMO COc1cc(C[NH+]2CCC(N3CCNC3=O)CC2)ccc1[N+](=O)[O-] ZINC000351977671 445412811 /nfs/dbraw/zinc/41/28/11/445412811.db2.gz JDBYLEZMGYGWSG-UHFFFAOYSA-N 1 1 334.376 1.593 20 5 EDBDMO C[C@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000351982333 445416523 /nfs/dbraw/zinc/41/65/23/445416523.db2.gz MYNNCMYLDASPOL-BLLLJJGKSA-N 1 1 345.403 1.766 20 5 EDBDMO O=C(C[N@H+]1CCC[C@H]2COCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000362456398 445391618 /nfs/dbraw/zinc/39/16/18/445391618.db2.gz VKSSDYOIZLENRX-HOCLYGCPSA-N 1 1 345.399 1.985 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@H]1C ZINC000352665457 445546124 /nfs/dbraw/zinc/54/61/24/445546124.db2.gz QNLTTWIEILLNQS-QWRGUYRKSA-N 1 1 335.360 1.878 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c[nH]c4nccnc34)C2)nc1 ZINC000356131867 445637895 /nfs/dbraw/zinc/63/78/95/445637895.db2.gz URFDTQLQCBDUNQ-LBPRGKRZSA-N 1 1 339.359 1.899 20 5 EDBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363020875 445652378 /nfs/dbraw/zinc/65/23/78/445652378.db2.gz WYFNWZAPZIGYTI-KBPBESRZSA-N 1 1 346.387 1.068 20 5 EDBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000349813578 445686734 /nfs/dbraw/zinc/68/67/34/445686734.db2.gz RHVOMBCGWQAHPY-JTQLQIEISA-N 1 1 333.385 1.741 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3CCOC(=O)[C@H]32)cccc1[N+](=O)[O-] ZINC000360331876 445698104 /nfs/dbraw/zinc/69/81/04/445698104.db2.gz BUIFJFGMEKHWMX-WBMJQRKESA-N 1 1 347.371 1.869 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3CCOC(=O)[C@H]32)cccc1[N+](=O)[O-] ZINC000360331876 445698110 /nfs/dbraw/zinc/69/81/10/445698110.db2.gz BUIFJFGMEKHWMX-WBMJQRKESA-N 1 1 347.371 1.869 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3CCOC(=O)[C@@H]32)cccc1[N+](=O)[O-] ZINC000360331873 445698418 /nfs/dbraw/zinc/69/84/18/445698418.db2.gz BUIFJFGMEKHWMX-BLLLJJGKSA-N 1 1 347.371 1.869 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H]3CCOC(=O)[C@@H]32)cccc1[N+](=O)[O-] ZINC000360331873 445698424 /nfs/dbraw/zinc/69/84/24/445698424.db2.gz BUIFJFGMEKHWMX-BLLLJJGKSA-N 1 1 347.371 1.869 20 5 EDBDMO CCOCCC[N@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000360334855 445699305 /nfs/dbraw/zinc/69/93/05/445699305.db2.gz LBBZNYFZPIVWPO-STQMWFEESA-N 1 1 325.413 1.877 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1)C1CCC1 ZINC000373098981 446026751 /nfs/dbraw/zinc/02/67/51/446026751.db2.gz KLOKJPODJPDWQT-CQSZACIVSA-N 1 1 333.388 1.964 20 5 EDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(c2cnccn2)CC1 ZINC000366104975 446015174 /nfs/dbraw/zinc/01/51/74/446015174.db2.gz SJCLHWXZSGIGEV-UHFFFAOYSA-N 1 1 331.380 1.182 20 5 EDBDMO C[NH+](C)Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)no1 ZINC000359260779 446096477 /nfs/dbraw/zinc/09/64/77/446096477.db2.gz LMRBWNHPSJEJTC-UHFFFAOYSA-N 1 1 330.344 1.843 20 5 EDBDMO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000351503616 446108753 /nfs/dbraw/zinc/10/87/53/446108753.db2.gz SGVSYFPPTDUORO-SECBINFHSA-N 1 1 338.339 1.271 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000356903488 446110729 /nfs/dbraw/zinc/11/07/29/446110729.db2.gz PRIGRGZTUXOFCG-VXGBXAGGSA-N 1 1 349.387 1.936 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000356903488 446110733 /nfs/dbraw/zinc/11/07/33/446110733.db2.gz PRIGRGZTUXOFCG-VXGBXAGGSA-N 1 1 349.387 1.936 20 5 EDBDMO NC(=O)c1ncn([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000370592535 446347662 /nfs/dbraw/zinc/34/76/62/446347662.db2.gz HHFUXKMCSYDLKA-NSHDSACASA-N 1 1 348.338 1.261 20 5 EDBDMO NC(=O)c1ncn([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000370592535 446347664 /nfs/dbraw/zinc/34/76/64/446347664.db2.gz HHFUXKMCSYDLKA-NSHDSACASA-N 1 1 348.338 1.261 20 5 EDBDMO CCc1noc([C@@]2(O)CC[N@H+](Cc3ccc([N+](=O)[O-])cc3OC)C2)n1 ZINC000366756853 446336404 /nfs/dbraw/zinc/33/64/04/446336404.db2.gz LUCLMXWIMCNDQT-MRXNPFEDSA-N 1 1 348.359 1.642 20 5 EDBDMO CCc1noc([C@@]2(O)CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3OC)C2)n1 ZINC000366756853 446336409 /nfs/dbraw/zinc/33/64/09/446336409.db2.gz LUCLMXWIMCNDQT-MRXNPFEDSA-N 1 1 348.359 1.642 20 5 EDBDMO Cn1cc([C@H]2[C@H](CNC(=O)c3ccc([N+](=O)[O-])o3)CCC[N@H+]2C)cn1 ZINC000370929991 446527616 /nfs/dbraw/zinc/52/76/16/446527616.db2.gz XRICXIWGACGPAE-XHDPSFHLSA-N 1 1 347.375 1.734 20 5 EDBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000371125041 446641763 /nfs/dbraw/zinc/64/17/63/446641763.db2.gz XPNMYYOIFWINLA-GFCCVEGCSA-N 1 1 332.364 1.241 20 5 EDBDMO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000375211100 446646646 /nfs/dbraw/zinc/64/66/46/446646646.db2.gz MUZBZJANZFZLIA-ZDUSSCGKSA-N 1 1 331.332 1.420 20 5 EDBDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000375211100 446646649 /nfs/dbraw/zinc/64/66/49/446646649.db2.gz MUZBZJANZFZLIA-ZDUSSCGKSA-N 1 1 331.332 1.420 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@@H]21 ZINC000375233256 446659774 /nfs/dbraw/zinc/65/97/74/446659774.db2.gz JPMHKKIOIUPPBZ-YGRLFVJLSA-N 1 1 329.360 1.774 20 5 EDBDMO CCC[C@]1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411604735 446624672 /nfs/dbraw/zinc/62/46/72/446624672.db2.gz GYZGIKLASXJVRP-QGZVFWFLSA-N 1 1 348.403 1.914 20 5 EDBDMO CCC[C@]1(C)C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411604735 446624681 /nfs/dbraw/zinc/62/46/81/446624681.db2.gz GYZGIKLASXJVRP-QGZVFWFLSA-N 1 1 348.403 1.914 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252400 450434761 /nfs/dbraw/zinc/43/47/61/450434761.db2.gz KMUWGRBHJBBRKO-OLZOCXBDSA-N 1 1 339.371 1.135 20 5 EDBDMO COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](C)C1 ZINC000411907796 446716505 /nfs/dbraw/zinc/71/65/05/446716505.db2.gz DOTZIMMBQLOFOK-LBPRGKRZSA-N 1 1 341.795 1.785 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411932499 446744413 /nfs/dbraw/zinc/74/44/13/446744413.db2.gz FVCVBGJPRSYXJG-JKSUJKDBSA-N 1 1 329.356 1.564 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000454157814 446793216 /nfs/dbraw/zinc/79/32/16/446793216.db2.gz YWWYNGWDDUZDJE-AWEZNQCLSA-N 1 1 336.392 1.872 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000420759993 446797405 /nfs/dbraw/zinc/79/74/05/446797405.db2.gz FKYBRKOXYRBMKL-GFCCVEGCSA-N 1 1 327.406 1.618 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420771761 446808802 /nfs/dbraw/zinc/80/88/02/446808802.db2.gz SPQUUYFAKCQBFY-CQSZACIVSA-N 1 1 341.433 1.493 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000412147450 446879542 /nfs/dbraw/zinc/87/95/42/446879542.db2.gz RPYTVWRNGKGVQV-MGBSGCIJSA-N 1 1 347.415 1.612 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000412147450 446879551 /nfs/dbraw/zinc/87/95/51/446879551.db2.gz RPYTVWRNGKGVQV-MGBSGCIJSA-N 1 1 347.415 1.612 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1F ZINC000412233377 446905931 /nfs/dbraw/zinc/90/59/31/446905931.db2.gz TWMFDWAHTVCWID-WDEREUQCSA-N 1 1 339.367 1.836 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000371542579 446924847 /nfs/dbraw/zinc/92/48/47/446924847.db2.gz CJRHZYPVAMWNDW-UHFFFAOYSA-N 1 1 343.405 1.320 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000371542579 446924855 /nfs/dbraw/zinc/92/48/55/446924855.db2.gz CJRHZYPVAMWNDW-UHFFFAOYSA-N 1 1 343.405 1.320 20 5 EDBDMO O=C(CC[N@H+]1CCO[C@@]2(CCCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375663877 446959497 /nfs/dbraw/zinc/95/94/97/446959497.db2.gz FILZXDIOWXOFBJ-KRWDZBQOSA-N 1 1 349.387 1.805 20 5 EDBDMO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@@H]1CCC[N@H+]1C ZINC000421010778 446983756 /nfs/dbraw/zinc/98/37/56/446983756.db2.gz REUPKYBAJQMQJM-AWEZNQCLSA-N 1 1 348.403 1.919 20 5 EDBDMO CN1CCC[C@H]1C[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000421010778 446983761 /nfs/dbraw/zinc/98/37/61/446983761.db2.gz REUPKYBAJQMQJM-AWEZNQCLSA-N 1 1 348.403 1.919 20 5 EDBDMO CN1CCC[C@H]1C[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000421010778 446983763 /nfs/dbraw/zinc/98/37/63/446983763.db2.gz REUPKYBAJQMQJM-AWEZNQCLSA-N 1 1 348.403 1.919 20 5 EDBDMO COc1ccc(NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000455096689 447049669 /nfs/dbraw/zinc/04/96/69/447049669.db2.gz HTKVQELZSQMNLN-NSHDSACASA-N 1 1 338.364 1.134 20 5 EDBDMO COc1ccc(NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000455096689 447049678 /nfs/dbraw/zinc/04/96/78/447049678.db2.gz HTKVQELZSQMNLN-NSHDSACASA-N 1 1 338.364 1.134 20 5 EDBDMO CC(C)[N@H+]1CCO[C@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000377259492 447024728 /nfs/dbraw/zinc/02/47/28/447024728.db2.gz LVDHWQVSELIEPU-AWEZNQCLSA-N 1 1 347.375 1.197 20 5 EDBDMO CN1CC[C@@H](C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 ZINC000372521748 447107007 /nfs/dbraw/zinc/10/70/07/447107007.db2.gz LEBDXPSOXQGSIR-RDJZCZTQSA-N 1 1 344.419 1.811 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372478036 447075676 /nfs/dbraw/zinc/07/56/76/447075676.db2.gz NBJIGUKLCSMQBB-UKRRQHHQSA-N 1 1 335.408 1.829 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419328006 447095265 /nfs/dbraw/zinc/09/52/65/447095265.db2.gz DHFOXXBGPRMGFO-RYUDHWBXSA-N 1 1 333.392 1.358 20 5 EDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377481222 447154007 /nfs/dbraw/zinc/15/40/07/447154007.db2.gz HUCSHFITKKTZCC-KGLIPLIRSA-N 1 1 348.403 1.376 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000375960656 447176685 /nfs/dbraw/zinc/17/66/85/447176685.db2.gz JTMNDRLJCUOZFM-UHFFFAOYSA-N 1 1 326.356 1.941 20 5 EDBDMO COc1ccc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)cc1[N+](=O)[O-] ZINC000375953917 447171506 /nfs/dbraw/zinc/17/15/06/447171506.db2.gz KPSOXBGUQCVIIJ-LBPRGKRZSA-N 1 1 345.359 1.232 20 5 EDBDMO COCCC[N@H+](CCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000446072479 447229366 /nfs/dbraw/zinc/22/93/66/447229366.db2.gz MRCMVXWVKFVPFP-UHFFFAOYSA-N 1 1 325.365 1.173 20 5 EDBDMO COCCC[N@@H+](CCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000446072479 447229371 /nfs/dbraw/zinc/22/93/71/447229371.db2.gz MRCMVXWVKFVPFP-UHFFFAOYSA-N 1 1 325.365 1.173 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1F ZINC000421715534 447230974 /nfs/dbraw/zinc/23/09/74/447230974.db2.gz YAUJEFIGNWPJCH-NSHDSACASA-N 1 1 339.367 1.838 20 5 EDBDMO CNc1nc(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000456062743 447291803 /nfs/dbraw/zinc/29/18/03/447291803.db2.gz LOWOGBAWSPCDNS-YWPYICTPSA-N 1 1 347.419 1.834 20 5 EDBDMO COc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000450539678 447519253 /nfs/dbraw/zinc/51/92/53/447519253.db2.gz KTAXLGBVOZVODC-VHSXEESVSA-N 1 1 325.340 1.907 20 5 EDBDMO COc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000450539678 447519259 /nfs/dbraw/zinc/51/92/59/447519259.db2.gz KTAXLGBVOZVODC-VHSXEESVSA-N 1 1 325.340 1.907 20 5 EDBDMO CC[N@@H+](CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])CCC(F)(F)F ZINC000427280832 447574697 /nfs/dbraw/zinc/57/46/97/447574697.db2.gz MCTMLUSUNLRMBO-UHFFFAOYSA-N 1 1 337.302 1.630 20 5 EDBDMO O=C1C[NH2+]CCN1[C@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000420231624 447679980 /nfs/dbraw/zinc/67/99/80/447679980.db2.gz CICZYVWFOVAXCO-NSHDSACASA-N 1 1 338.795 1.649 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C(C)C ZINC000429360704 447743185 /nfs/dbraw/zinc/74/31/85/447743185.db2.gz IGFMABCCSOGRPJ-ZFWWWQNUSA-N 1 1 337.376 1.276 20 5 EDBDMO CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000488609733 447849443 /nfs/dbraw/zinc/84/94/43/447849443.db2.gz NDFBBRNIMWBREU-AWEZNQCLSA-N 1 1 334.376 1.332 20 5 EDBDMO CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000488609733 447849444 /nfs/dbraw/zinc/84/94/44/447849444.db2.gz NDFBBRNIMWBREU-AWEZNQCLSA-N 1 1 334.376 1.332 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487111660 447827434 /nfs/dbraw/zinc/82/74/34/447827434.db2.gz JTZXSMQZXUTEDF-ZDUSSCGKSA-N 1 1 336.392 1.943 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@H+]1C ZINC000525104924 447969316 /nfs/dbraw/zinc/96/93/16/447969316.db2.gz HPKHPWVKGSUFSP-WDEREUQCSA-N 1 1 335.360 1.579 20 5 EDBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C2)C1 ZINC000576491795 448068490 /nfs/dbraw/zinc/06/84/90/448068490.db2.gz OOPUQWFCFZHXHV-QGZVFWFLSA-N 1 1 347.371 1.881 20 5 EDBDMO CNc1nccc(C(=O)NCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000576886603 448164354 /nfs/dbraw/zinc/16/43/54/448164354.db2.gz ZITGQEATAJYLFU-UHFFFAOYSA-N 1 1 335.408 2.026 20 5 EDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000591004642 448227811 /nfs/dbraw/zinc/22/78/11/448227811.db2.gz DLAXNUQPNGMKRP-JTQLQIEISA-N 1 1 325.340 1.909 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000591004642 448227817 /nfs/dbraw/zinc/22/78/17/448227817.db2.gz DLAXNUQPNGMKRP-JTQLQIEISA-N 1 1 325.340 1.909 20 5 EDBDMO COc1ccc(S(=O)(=O)Nc2cc(C)[nH+]cc2C)cc1[N+](=O)[O-] ZINC000532619762 448284088 /nfs/dbraw/zinc/28/40/88/448284088.db2.gz DHGWUFGEHDQIMO-UHFFFAOYSA-N 1 1 337.357 1.838 20 5 EDBDMO O=C(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])N1CCNCC1 ZINC000572510500 448397823 /nfs/dbraw/zinc/39/78/23/448397823.db2.gz SLYCYJGBARLXIW-ZBFHGGJFSA-N 1 1 346.431 1.327 20 5 EDBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548091097 448982200 /nfs/dbraw/zinc/98/22/00/448982200.db2.gz NBDCARMDJCKQCT-CQSZACIVSA-N 1 1 343.387 1.912 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000574970124 449001415 /nfs/dbraw/zinc/00/14/15/449001415.db2.gz JMIYDFSIUMKHLE-NSHDSACASA-N 1 1 348.403 1.608 20 5 EDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](Cn4ccnn4)C3)nc2c1 ZINC000595608329 449076619 /nfs/dbraw/zinc/07/66/19/449076619.db2.gz NTHIIYDIQDBFKK-NSHDSACASA-N 1 1 328.332 1.850 20 5 EDBDMO CNc1nccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000521988579 449037153 /nfs/dbraw/zinc/03/71/53/449037153.db2.gz LKHBASSUYHVVNG-VXGBXAGGSA-N 1 1 335.408 1.882 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000590044775 449099772 /nfs/dbraw/zinc/09/97/72/449099772.db2.gz NJIDQYMUTSZNDL-BBRMVZONSA-N 1 1 328.372 1.712 20 5 EDBDMO COC(=O)COc1ccc(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590052463 449100290 /nfs/dbraw/zinc/10/02/90/449100290.db2.gz CEYNCZOROVQLPJ-ZFWWWQNUSA-N 1 1 349.387 1.283 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000611088460 449164940 /nfs/dbraw/zinc/16/49/40/449164940.db2.gz XOUHMKXWRHVKJN-LLVKDONJSA-N 1 1 335.360 1.548 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000611088460 449164943 /nfs/dbraw/zinc/16/49/43/449164943.db2.gz XOUHMKXWRHVKJN-LLVKDONJSA-N 1 1 335.360 1.548 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1COCCO1 ZINC000595736588 449138981 /nfs/dbraw/zinc/13/89/81/449138981.db2.gz MTOKGGSYEYWVCU-CQSZACIVSA-N 1 1 337.376 1.579 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]12 ZINC000595738366 449139648 /nfs/dbraw/zinc/13/96/48/449139648.db2.gz RECXDVAUYYKSTP-ZNMIVQPWSA-N 1 1 336.392 1.845 20 5 EDBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593680113 449144916 /nfs/dbraw/zinc/14/49/16/449144916.db2.gz PLFNYYHWMNACEF-CYBMUJFWSA-N 1 1 343.330 1.447 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595753577 449148328 /nfs/dbraw/zinc/14/83/28/449148328.db2.gz ZCPDOGWHWFBFDM-RHSMWYFYSA-N 1 1 336.388 1.571 20 5 EDBDMO Cc1c(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000590402478 449149996 /nfs/dbraw/zinc/14/99/96/449149996.db2.gz UVVAYQJCOPDOKL-CVEARBPZSA-N 1 1 333.388 1.838 20 5 EDBDMO C[C@@](O)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000611168732 449197167 /nfs/dbraw/zinc/19/71/67/449197167.db2.gz WXCIPBCPVCEFCN-GFCCVEGCSA-N 1 1 336.266 1.769 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000611185935 449208209 /nfs/dbraw/zinc/20/82/09/449208209.db2.gz RVHLEOPHQNSAOC-UHFFFAOYSA-N 1 1 329.356 1.563 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCCN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595867581 449218524 /nfs/dbraw/zinc/21/85/24/449218524.db2.gz PCIQWKVJFVMQDE-HNNXBMFYSA-N 1 1 335.404 1.505 20 5 EDBDMO COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000595825224 449188583 /nfs/dbraw/zinc/18/85/83/449188583.db2.gz CZHPOQNNPGRXJI-CYBMUJFWSA-N 1 1 336.392 1.791 20 5 EDBDMO COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000595825224 449188590 /nfs/dbraw/zinc/18/85/90/449188590.db2.gz CZHPOQNNPGRXJI-CYBMUJFWSA-N 1 1 336.392 1.791 20 5 EDBDMO Cn1cc(O[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2O)cn1 ZINC000600180404 449230904 /nfs/dbraw/zinc/23/09/04/449230904.db2.gz CEGUXQWFTQTWPX-TZNLOLHFSA-N 1 1 344.371 1.466 20 5 EDBDMO Cn1cc(O[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2O)cn1 ZINC000600180404 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CCC[N@@H+](CC)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000175361740 527979477 /nfs/dbraw/zinc/97/94/77/527979477.db2.gz WXHFURJPHPXVIU-UHFFFAOYSA-N 1 1 333.385 1.744 20 5 EDBDMO CC1(CO)CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000186941059 527998737 /nfs/dbraw/zinc/99/87/37/527998737.db2.gz QTEXRMXWYQWHRT-UHFFFAOYSA-N 1 1 333.388 1.578 20 5 EDBDMO CC[NH+]1CCN(C(=O)CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153694457 529125381 /nfs/dbraw/zinc/12/53/81/529125381.db2.gz WREHDXSZOIMYGF-UHFFFAOYSA-N 1 1 327.772 1.219 20 5 EDBDMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000131405466 529130971 /nfs/dbraw/zinc/13/09/71/529130971.db2.gz FIQVCKSYXDQBHG-CQSZACIVSA-N 1 1 346.431 1.506 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000246663533 536470018 /nfs/dbraw/zinc/47/00/18/536470018.db2.gz LTRGFXOPGJLJPC-UONOGXRCSA-N 1 1 333.388 1.916 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000725897733 578302293 /nfs/dbraw/zinc/30/22/93/578302293.db2.gz UKAJCHVAJZRZMB-ZIAGYGMSSA-N 1 1 345.355 1.934 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000737004913 579039704 /nfs/dbraw/zinc/03/97/04/579039704.db2.gz PRSLWDKQIJQJKX-LBPRGKRZSA-N 1 1 347.379 1.298 20 5 EDBDMO Cc1[nH]nc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000738523950 579190637 /nfs/dbraw/zinc/19/06/37/579190637.db2.gz URKCYCCEYWIEBP-UHFFFAOYSA-N 1 1 331.376 1.960 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000746526012 579599466 /nfs/dbraw/zinc/59/94/66/579599466.db2.gz VTIZSESONCVQIE-ZDUSSCGKSA-N 1 1 345.403 1.793 20 5 EDBDMO CN(C)c1cc[nH+]c(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000757981934 579973970 /nfs/dbraw/zinc/97/39/70/579973970.db2.gz ZYWILMJBXBPUID-LLVKDONJSA-N 1 1 329.364 1.537 20 5 EDBDMO COCC[N@@H+]1CC[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778259784 580460177 /nfs/dbraw/zinc/46/01/77/580460177.db2.gz BZHBTJLZYYWBEV-GFCCVEGCSA-N 1 1 343.330 1.524 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778259784 580460178 /nfs/dbraw/zinc/46/01/78/580460178.db2.gz BZHBTJLZYYWBEV-GFCCVEGCSA-N 1 1 343.330 1.524 20 5 EDBDMO C[C@H](NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000774708178 580371578 /nfs/dbraw/zinc/37/15/78/580371578.db2.gz RLJUIMCXCUWRDU-MELADBBJSA-N 1 1 348.403 1.818 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778295971 580461151 /nfs/dbraw/zinc/46/11/51/580461151.db2.gz YVBCSIPHHLLMHE-SECBINFHSA-N 1 1 335.389 1.671 20 5 EDBDMO C[N@@H+](CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000781609832 580553283 /nfs/dbraw/zinc/55/32/83/580553283.db2.gz FPAQJCNYQVBFLI-UHFFFAOYSA-N 1 1 336.348 1.646 20 5 EDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000783920725 580608476 /nfs/dbraw/zinc/60/84/76/580608476.db2.gz OCXVMISOUUMZSF-CYBMUJFWSA-N 1 1 343.387 1.995 20 5 EDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785974806 580657137 /nfs/dbraw/zinc/65/71/37/580657137.db2.gz FFCKAUBRVBKXJB-KBXCAEBGSA-N 1 1 349.431 1.813 20 5 EDBDMO COC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1C ZINC000787419984 580694923 /nfs/dbraw/zinc/69/49/23/580694923.db2.gz BJADDUOWXZVUQC-PWSUYJOCSA-N 1 1 336.344 1.749 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1C ZINC000787419984 580694924 /nfs/dbraw/zinc/69/49/24/580694924.db2.gz BJADDUOWXZVUQC-PWSUYJOCSA-N 1 1 336.344 1.749 20 5 EDBDMO CC(C)[C@@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[NH+](C)C ZINC000787962868 580711749 /nfs/dbraw/zinc/71/17/49/580711749.db2.gz SBPTXMGVUYRMPI-AWEZNQCLSA-N 1 1 341.339 1.802 20 5 EDBDMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000793598831 580848675 /nfs/dbraw/zinc/84/86/75/580848675.db2.gz PAHZOODRXZGIPZ-QGZVFWFLSA-N 1 1 344.371 1.874 20 5 EDBDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000793598831 580848676 /nfs/dbraw/zinc/84/86/76/580848676.db2.gz PAHZOODRXZGIPZ-QGZVFWFLSA-N 1 1 344.371 1.874 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 ZINC000796607302 580957963 /nfs/dbraw/zinc/95/79/63/580957963.db2.gz RFXWDTYVMZZMKT-XYPHTWIQSA-N 1 1 336.388 1.898 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 ZINC000796607302 580957964 /nfs/dbraw/zinc/95/79/64/580957964.db2.gz RFXWDTYVMZZMKT-XYPHTWIQSA-N 1 1 336.388 1.898 20 5 EDBDMO Cc1nccnc1N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000799327538 581025656 /nfs/dbraw/zinc/02/56/56/581025656.db2.gz XPLGZOSINAQHGB-INIZCTEOSA-N 1 1 343.387 1.549 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804808905 590776748 /nfs/dbraw/zinc/77/67/48/590776748.db2.gz MPHBBDFMIOOZPI-OCCSQVGLSA-N 1 1 348.403 1.254 20 5 EDBDMO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1C[N@H+]2CCN1CCC2 ZINC000898462176 591363550 /nfs/dbraw/zinc/36/35/50/591363550.db2.gz NGHXIALBVIXHEY-OAHLLOKOSA-N 1 1 341.371 1.471 20 5 EDBDMO CCOC(=O)c1ccnc(N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000894796822 591420087 /nfs/dbraw/zinc/42/00/87/591420087.db2.gz FDKWXJWDLURCLL-CALCHBBNSA-N 1 1 348.403 1.945 20 5 EDBDMO CNc1c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896550437 591515973 /nfs/dbraw/zinc/51/59/73/591515973.db2.gz YUPBWUDIPMZDGS-FZMZJTMJSA-N 1 1 335.408 1.001 20 5 EDBDMO CNc1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896582718 591540683 /nfs/dbraw/zinc/54/06/83/591540683.db2.gz YHEOOJBMNUQLBU-IAQYHMDHSA-N 1 1 335.408 1.001 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899059503 591663312 /nfs/dbraw/zinc/66/33/12/591663312.db2.gz MDJBZRJOHIJNAU-UHFFFAOYSA-N 1 1 349.387 1.092 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899059503 591663316 /nfs/dbraw/zinc/66/33/16/591663316.db2.gz MDJBZRJOHIJNAU-UHFFFAOYSA-N 1 1 349.387 1.092 20 5 EDBDMO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000902641070 592034808 /nfs/dbraw/zinc/03/48/08/592034808.db2.gz URRMUVWLOPPKRU-IAGOWNOFSA-N 1 1 345.403 1.433 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC[N@H+]1C ZINC000906797342 592348636 /nfs/dbraw/zinc/34/86/36/592348636.db2.gz HIOMTSWYLOFSBF-NWDGAFQWSA-N 1 1 349.387 1.969 20 5 EDBDMO CC(C)(NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccccc1[N+](=O)[O-] ZINC000908360388 592465029 /nfs/dbraw/zinc/46/50/29/592465029.db2.gz QTHACOAOTOPMEW-CYBMUJFWSA-N 1 1 333.388 1.667 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000907548060 592702409 /nfs/dbraw/zinc/70/24/09/592702409.db2.gz KIUMNGRUGALILR-DOMZBBRYSA-N 1 1 339.417 1.475 20 5 EDBDMO C[C@H]1C[N@H+](C)C[C@@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)O1 ZINC000911474899 592923194 /nfs/dbraw/zinc/92/31/94/592923194.db2.gz ZQLTWGUCBFGFOX-SDBXPKJASA-N 1 1 329.303 1.208 20 5 EDBDMO C[C@H]1C[N@@H+](C)C[C@@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)O1 ZINC000911474899 592923197 /nfs/dbraw/zinc/92/31/97/592923197.db2.gz ZQLTWGUCBFGFOX-SDBXPKJASA-N 1 1 329.303 1.208 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000840092965 593167935 /nfs/dbraw/zinc/16/79/35/593167935.db2.gz CYSSRYUOZVZISF-CQSZACIVSA-N 1 1 330.392 1.837 20 5 EDBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000794635531 593184078 /nfs/dbraw/zinc/18/40/78/593184078.db2.gz XCZGANQTKISLHP-VXGBXAGGSA-N 1 1 333.344 1.819 20 5 EDBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000794635531 593184080 /nfs/dbraw/zinc/18/40/80/593184080.db2.gz XCZGANQTKISLHP-VXGBXAGGSA-N 1 1 333.344 1.819 20 5 EDBDMO O=C([C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1)N1CCCC1 ZINC000808207942 593239358 /nfs/dbraw/zinc/23/93/58/593239358.db2.gz RYDURWIIZHLISZ-CYBMUJFWSA-N 1 1 343.387 1.846 20 5 EDBDMO CC[NH+]1CCN(C(=O)CNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804430372 593413589 /nfs/dbraw/zinc/41/35/89/593413589.db2.gz NNVSYWRPXRHNOG-UHFFFAOYSA-N 1 1 326.784 1.824 20 5 EDBDMO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@H+]1C ZINC000768845145 593442365 /nfs/dbraw/zinc/44/23/65/593442365.db2.gz DYDZMIKGCNNDIT-NEPJUHHUSA-N 1 1 331.376 1.496 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000811500693 593472224 /nfs/dbraw/zinc/47/22/24/593472224.db2.gz KXNGNGXSAWPIKJ-OLZOCXBDSA-N 1 1 349.343 1.312 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000811500693 593472225 /nfs/dbraw/zinc/47/22/25/593472225.db2.gz KXNGNGXSAWPIKJ-OLZOCXBDSA-N 1 1 349.343 1.312 20 5 EDBDMO O=C(CC[NH+]1CCOCC1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000811565810 593473831 /nfs/dbraw/zinc/47/38/31/593473831.db2.gz KMHMYERNNSHGDH-UHFFFAOYSA-N 1 1 346.387 1.457 20 5 EDBDMO CSc1nnc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000819250888 593746681 /nfs/dbraw/zinc/74/66/81/593746681.db2.gz JGHQYJNICPXRNS-JTQLQIEISA-N 1 1 326.403 1.991 20 5 EDBDMO Nc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000823997429 593904336 /nfs/dbraw/zinc/90/43/36/593904336.db2.gz CQOQXLOLFINPQJ-CYBMUJFWSA-N 1 1 349.391 1.506 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000820984522 593935930 /nfs/dbraw/zinc/93/59/30/593935930.db2.gz DCIVIVLLSCTWHL-GVDBMIGSSA-N 1 1 347.415 1.661 20 5 EDBDMO C[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000825079206 594127179 /nfs/dbraw/zinc/12/71/79/594127179.db2.gz NXTCSHLSBLSCGK-DVOMOZLQSA-N 1 1 335.404 1.865 20 5 EDBDMO Cc1ccccc1[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000825189540 594144641 /nfs/dbraw/zinc/14/46/41/594144641.db2.gz IPPHXAUDECGJSG-HNNXBMFYSA-N 1 1 329.360 1.273 20 5 EDBDMO CC(C)(C)[N@H+]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825505763 594194146 /nfs/dbraw/zinc/19/41/46/594194146.db2.gz ULJOMTMJNKRBBB-OAHLLOKOSA-N 1 1 335.404 1.961 20 5 EDBDMO COc1cc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000832224844 594736596 /nfs/dbraw/zinc/73/65/96/594736596.db2.gz HJDSDXSQTNHWPN-WDEREUQCSA-N 1 1 337.351 1.766 20 5 EDBDMO Cc1cc(S(=O)(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc([N+](=O)[O-])c1F ZINC000832272782 594739528 /nfs/dbraw/zinc/73/95/28/594739528.db2.gz NDLCKCYRWLVOIZ-MFKMUULPSA-N 1 1 343.380 1.367 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000832690428 594769282 /nfs/dbraw/zinc/76/92/82/594769282.db2.gz GXTXJCQGXZUAJM-IINYFYTJSA-N 1 1 334.332 1.588 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000842163363 595026960 /nfs/dbraw/zinc/02/69/60/595026960.db2.gz NAYXPQKXMDFYKL-VXGBXAGGSA-N 1 1 338.364 1.390 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000846970131 595344620 /nfs/dbraw/zinc/34/46/20/595344620.db2.gz HHFDAFAKDZECNO-AWEZNQCLSA-N 1 1 345.403 1.887 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853521953 595782792 /nfs/dbraw/zinc/78/27/92/595782792.db2.gz IHRGVUGFGXPFCG-GFCCVEGCSA-N 1 1 342.363 1.219 20 5 EDBDMO C[C@@H]1CO[C@@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000851416989 595799530 /nfs/dbraw/zinc/79/95/30/595799530.db2.gz VZZGCYZTSWPCEJ-DTZQCDIJSA-N 1 1 334.372 1.484 20 5 EDBDMO C[C@@H]1CO[C@@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000851416989 595799533 /nfs/dbraw/zinc/79/95/33/595799533.db2.gz VZZGCYZTSWPCEJ-DTZQCDIJSA-N 1 1 334.372 1.484 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)n2)cc1 ZINC000853586928 595815197 /nfs/dbraw/zinc/81/51/97/595815197.db2.gz BTJUVUPEKKPUNG-KGLIPLIRSA-N 1 1 329.360 1.779 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@H]4COC[C@H]4C3)n2)cc1 ZINC000853586930 595815819 /nfs/dbraw/zinc/81/58/19/595815819.db2.gz BTJUVUPEKKPUNG-UONOGXRCSA-N 1 1 329.360 1.779 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000856073180 595888234 /nfs/dbraw/zinc/88/82/34/595888234.db2.gz KSYSIBFHBBQBSW-LRDDRELGSA-N 1 1 346.387 1.688 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861939607 596156103 /nfs/dbraw/zinc/15/61/03/596156103.db2.gz WWTRABIEXMCKJH-CYBMUJFWSA-N 1 1 343.383 1.887 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861939607 596156107 /nfs/dbraw/zinc/15/61/07/596156107.db2.gz WWTRABIEXMCKJH-CYBMUJFWSA-N 1 1 343.383 1.887 20 5 EDBDMO COC(=O)N(C)CC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000852568353 596198863 /nfs/dbraw/zinc/19/88/63/596198863.db2.gz AFDQTSFHVFULNA-UHFFFAOYSA-N 1 1 338.364 1.553 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCn3ncc(Br)c3C2)c1 ZINC000852626030 596211660 /nfs/dbraw/zinc/21/16/60/596211660.db2.gz CBZPOZJLRCFAQL-UHFFFAOYSA-N 1 1 341.169 1.266 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCn3ncc(Br)c3C2)c1 ZINC000852626030 596211661 /nfs/dbraw/zinc/21/16/61/596211661.db2.gz CBZPOZJLRCFAQL-UHFFFAOYSA-N 1 1 341.169 1.266 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000866596517 596264402 /nfs/dbraw/zinc/26/44/02/596264402.db2.gz GPZVVSMOUJYQCG-JTQLQIEISA-N 1 1 343.380 1.557 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707561 596302347 /nfs/dbraw/zinc/30/23/47/596302347.db2.gz IYDSENQYUUYOSE-KSYCFECVSA-N 1 1 346.387 1.523 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1F ZINC000866724097 596311006 /nfs/dbraw/zinc/31/10/06/596311006.db2.gz IABZTHYNJUIKQP-SNVBAGLBSA-N 1 1 345.396 1.803 20 5 EDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870895047 596394360 /nfs/dbraw/zinc/39/43/60/596394360.db2.gz SKDAEDOQUXMDGZ-KSSFIOAISA-N 1 1 348.447 1.959 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000867811436 596563477 /nfs/dbraw/zinc/56/34/77/596563477.db2.gz PQFHGRUKXQRORP-QWRGUYRKSA-N 1 1 345.446 1.679 20 5 EDBDMO O=c1c2cc([N+](=O)[O-])sc2ncn1Cc1[nH+]ccn1CC(F)F ZINC000871671756 596666598 /nfs/dbraw/zinc/66/65/98/596666598.db2.gz SIGNXTBBXISVMS-UHFFFAOYSA-N 1 1 341.299 1.876 20 5 EDBDMO Cc1ccc(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000868217888 596729854 /nfs/dbraw/zinc/72/98/54/596729854.db2.gz VULXMXLHYQYQOY-LSDHHAIUSA-N 1 1 348.403 1.566 20 5 EDBDMO CCS(=O)(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000877524887 597530707 /nfs/dbraw/zinc/53/07/07/597530707.db2.gz JTCIJAMJOYZGRB-UHFFFAOYSA-N 1 1 341.433 1.807 20 5 EDBDMO COc1cccc([C@@H]2C[N@H+](CCn3c(C)ncc3[N+](=O)[O-])CCN2)c1 ZINC000879522736 597615966 /nfs/dbraw/zinc/61/59/66/597615966.db2.gz LKFWIOUKFCAVID-INIZCTEOSA-N 1 1 345.403 1.755 20 5 EDBDMO COc1cccc([C@@H]2C[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])CCN2)c1 ZINC000879522736 597615968 /nfs/dbraw/zinc/61/59/68/597615968.db2.gz LKFWIOUKFCAVID-INIZCTEOSA-N 1 1 345.403 1.755 20 5 EDBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000917909203 697105607 /nfs/dbraw/zinc/10/56/07/697105607.db2.gz QGABKHIJNKTYKA-DZGCQCFKSA-N 1 1 339.417 1.641 20 5 EDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)C1=COCCO1 ZINC001031528481 697212416 /nfs/dbraw/zinc/21/24/16/697212416.db2.gz YACPBUKYNXWHJL-UHFFFAOYSA-N 1 1 333.344 1.031 20 5 EDBDMO Cc1ncc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC001031581592 697279067 /nfs/dbraw/zinc/27/90/67/697279067.db2.gz BJXOZSQNIASTSJ-UHFFFAOYSA-N 1 1 329.360 1.488 20 5 EDBDMO Cc1c[nH]nc1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001031659509 697427015 /nfs/dbraw/zinc/42/70/15/697427015.db2.gz FIRNKRHXDBJNQT-UHFFFAOYSA-N 1 1 329.360 1.488 20 5 EDBDMO Cn1ccc(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC001032184562 702215281 /nfs/dbraw/zinc/21/52/81/702215281.db2.gz JSXHSWWHOVIYQQ-UHFFFAOYSA-N 1 1 329.360 1.190 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000996429717 702783749 /nfs/dbraw/zinc/78/37/49/702783749.db2.gz ULIHSKNRIXFLEO-GHMZBOCLSA-N 1 1 344.824 1.542 20 5 EDBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131310764 530033308 /nfs/dbraw/zinc/03/33/08/530033308.db2.gz BPPYPYRRDQRXLI-CYBMUJFWSA-N 1 1 327.406 1.451 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000069129067 215361567 /nfs/dbraw/zinc/36/15/67/215361567.db2.gz FLNOGAUGLFIQQC-NSHDSACASA-N 1 1 341.433 1.918 20 5 EDBDMO C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000181946251 234390418 /nfs/dbraw/zinc/39/04/18/234390418.db2.gz GPTMMVVRVNUNNC-KKUMJFAQSA-N 1 1 337.420 1.749 20 5 EDBDMO C[C@H]1C[C@@H](N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000181946251 234390428 /nfs/dbraw/zinc/39/04/28/234390428.db2.gz GPTMMVVRVNUNNC-KKUMJFAQSA-N 1 1 337.420 1.749 20 5 EDBDMO C[C@H]1C[C@@H](N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000181946251 234390431 /nfs/dbraw/zinc/39/04/31/234390431.db2.gz GPTMMVVRVNUNNC-KKUMJFAQSA-N 1 1 337.420 1.749 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000078650838 138258447 /nfs/dbraw/zinc/25/84/47/138258447.db2.gz IVCBROZPPKAHTA-VXGBXAGGSA-N 1 1 339.779 1.841 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnc4cnccn34)C2)nc1 ZINC000093534302 138293833 /nfs/dbraw/zinc/29/38/33/138293833.db2.gz IRVZKPBKDIAHLI-LBPRGKRZSA-N 1 1 339.359 1.719 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnc4cnccn34)C2)nc1 ZINC000093534302 138293834 /nfs/dbraw/zinc/29/38/34/138293834.db2.gz IRVZKPBKDIAHLI-LBPRGKRZSA-N 1 1 339.359 1.719 20 5 EDBDMO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866730 138313058 /nfs/dbraw/zinc/31/30/58/138313058.db2.gz VUKWQAYRCWEZQP-LBPRGKRZSA-N 1 1 335.408 1.781 20 5 EDBDMO CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866730 138313059 /nfs/dbraw/zinc/31/30/59/138313059.db2.gz VUKWQAYRCWEZQP-LBPRGKRZSA-N 1 1 335.408 1.781 20 5 EDBDMO COCCC[N@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000189880349 237351516 /nfs/dbraw/zinc/35/15/16/237351516.db2.gz WAOGYBVCYWCXJM-UHFFFAOYSA-N 1 1 345.783 1.518 20 5 EDBDMO COCCC[N@@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000189880349 237351525 /nfs/dbraw/zinc/35/15/25/237351525.db2.gz WAOGYBVCYWCXJM-UHFFFAOYSA-N 1 1 345.783 1.518 20 5 EDBDMO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000363793323 284170481 /nfs/dbraw/zinc/17/04/81/284170481.db2.gz PROOLMGWMISLFY-JKSUJKDBSA-N 1 1 333.388 1.968 20 5 EDBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111353043 220144222 /nfs/dbraw/zinc/14/42/22/220144222.db2.gz CHEJGNHYBKNQGS-LBPRGKRZSA-N 1 1 327.406 1.748 20 5 EDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@@H+](C)Cc1ccccc1 ZINC000111631035 220172785 /nfs/dbraw/zinc/17/27/85/220172785.db2.gz BIHOBMKEYKIHRD-GFCCVEGCSA-N 1 1 344.371 1.946 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000245835205 139087059 /nfs/dbraw/zinc/08/70/59/139087059.db2.gz VEPIFMBLVCVFRR-DGCLKSJQSA-N 1 1 348.403 1.818 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000247468034 139149471 /nfs/dbraw/zinc/14/94/71/139149471.db2.gz RQWUPYRQVYZGJY-JSGCOSHPSA-N 1 1 337.424 1.679 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247965412 139156410 /nfs/dbraw/zinc/15/64/10/139156410.db2.gz GSOJQZKLSSXMNH-UONOGXRCSA-N 1 1 333.388 1.916 20 5 EDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093360836 218218720 /nfs/dbraw/zinc/21/87/20/218218720.db2.gz ARPPNICZRWWRMW-LLVKDONJSA-N 1 1 337.376 1.570 20 5 EDBDMO COc1cc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000093808808 218249843 /nfs/dbraw/zinc/24/98/43/218249843.db2.gz QXBPJSOUAUBYFN-LLVKDONJSA-N 1 1 337.376 1.699 20 5 EDBDMO CC(C)C[C@@H](CO)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249435367 139193275 /nfs/dbraw/zinc/19/32/75/139193275.db2.gz KTGKOIKKLRJBCM-UONOGXRCSA-N 1 1 326.393 1.673 20 5 EDBDMO [NH3+]C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000261606349 139210278 /nfs/dbraw/zinc/21/02/78/139210278.db2.gz AIQUIJVUHZBZRZ-LBPRGKRZSA-N 1 1 345.396 1.920 20 5 EDBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCc3ncc([N+](=O)[O-])cc3C1)CC2 ZINC000569107707 306496591 /nfs/dbraw/zinc/49/65/91/306496591.db2.gz CSAPKNDGNFLZMR-LBPRGKRZSA-N 1 1 341.371 1.642 20 5 EDBDMO Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000261697121 139218404 /nfs/dbraw/zinc/21/84/04/139218404.db2.gz JBIUQRIKIGBTJO-CQSZACIVSA-N 1 1 329.360 1.423 20 5 EDBDMO O=C(NC[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000262278409 139265976 /nfs/dbraw/zinc/26/59/76/139265976.db2.gz UGVHXPOVMYBQOW-ZBFHGGJFSA-N 1 1 346.431 1.675 20 5 EDBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000424989510 252291039 /nfs/dbraw/zinc/29/10/39/252291039.db2.gz IOGFTGIRHFORSR-UHFFFAOYSA-N 1 1 336.392 1.360 20 5 EDBDMO CC[N@@H+](CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)C1CC1 ZINC000263685861 139352761 /nfs/dbraw/zinc/35/27/61/139352761.db2.gz GFSHKMIKYAMJAE-UHFFFAOYSA-N 1 1 335.360 1.596 20 5 EDBDMO Cc1c(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000153745080 224151365 /nfs/dbraw/zinc/15/13/65/224151365.db2.gz QMCCGWZQBRVBDW-LLVKDONJSA-N 1 1 336.348 1.978 20 5 EDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000493980499 255229315 /nfs/dbraw/zinc/22/93/15/255229315.db2.gz BEGZUHCNJQTZOR-UHFFFAOYSA-N 1 1 339.396 1.733 20 5 EDBDMO O=C(CC[N@H+]1CCN2C(=O)OCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000494309626 255245355 /nfs/dbraw/zinc/24/53/55/255245355.db2.gz CGFXHKNIACUPTH-AWEZNQCLSA-N 1 1 348.359 1.450 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154686723 224290588 /nfs/dbraw/zinc/29/05/88/224290588.db2.gz PSRKGZIVTAJYTA-DOMZBBRYSA-N 1 1 341.433 1.697 20 5 EDBDMO O=C(NCC[NH+]1CCSCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000264845652 139440249 /nfs/dbraw/zinc/44/02/49/139440249.db2.gz YMSFZSCLNJSJSG-UHFFFAOYSA-N 1 1 334.401 1.855 20 5 EDBDMO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1[N+](=O)[O-] ZINC000271708592 140337377 /nfs/dbraw/zinc/33/73/77/140337377.db2.gz OYFHQPNBGDGNOC-CHWSQXEVSA-N 1 1 335.408 1.201 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000332136632 141129416 /nfs/dbraw/zinc/12/94/16/141129416.db2.gz JMUXGQNXGRASKV-HOTGVXAUSA-N 1 1 348.403 1.247 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc([N+](=O)[O-])c1 ZINC000346329515 143192500 /nfs/dbraw/zinc/19/25/00/143192500.db2.gz RWNKIZDXUXFYNF-QGZVFWFLSA-N 1 1 347.371 1.549 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](F)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000346414855 143202399 /nfs/dbraw/zinc/20/23/99/143202399.db2.gz PPFVOQARVDFYSL-NEPJUHHUSA-N 1 1 325.340 1.637 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[N@@H+](C)C1 ZINC000346697197 143233287 /nfs/dbraw/zinc/23/32/87/143233287.db2.gz AWBFBBOJZKIDRH-QWHCGFSZSA-N 1 1 346.387 1.867 20 5 EDBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000347070922 143278692 /nfs/dbraw/zinc/27/86/92/143278692.db2.gz DUHYPBYKSHOOSB-GXTWGEPZSA-N 1 1 343.387 1.894 20 5 EDBDMO C[C@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000347185830 143292470 /nfs/dbraw/zinc/29/24/70/143292470.db2.gz YFMJCOPWMAWLBG-MEDUHNTESA-N 1 1 346.387 1.603 20 5 EDBDMO CCOC(=O)COCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000347730270 143355553 /nfs/dbraw/zinc/35/55/53/143355553.db2.gz HLMDSKIYCGZNSW-UHFFFAOYSA-N 1 1 337.376 1.297 20 5 EDBDMO Cc1noc([C@]2(O)CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000369728853 155153451 /nfs/dbraw/zinc/15/34/51/155153451.db2.gz DUMIUTJNQPVAML-HNNXBMFYSA-N 1 1 334.332 1.259 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000331416882 292184849 /nfs/dbraw/zinc/18/48/49/292184849.db2.gz AGCMNJRLXIBXTL-AAEUAGOBSA-N 1 1 339.417 1.664 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000331416882 292184852 /nfs/dbraw/zinc/18/48/52/292184852.db2.gz AGCMNJRLXIBXTL-AAEUAGOBSA-N 1 1 339.417 1.664 20 5 EDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[C@@H]1O ZINC000352658162 149104522 /nfs/dbraw/zinc/10/45/22/149104522.db2.gz DFCRZJZUDVOJCX-JSGCOSHPSA-N 1 1 335.360 1.738 20 5 EDBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1COC[C@@H]1O ZINC000352820119 149180051 /nfs/dbraw/zinc/18/00/51/149180051.db2.gz YRDISLPQUMPVPZ-KBPBESRZSA-N 1 1 333.344 1.484 20 5 EDBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357543206 151062149 /nfs/dbraw/zinc/06/21/49/151062149.db2.gz BGAKMJWLAYRDRU-VIFPVBQESA-N 1 1 336.373 1.691 20 5 EDBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357543206 151062151 /nfs/dbraw/zinc/06/21/51/151062151.db2.gz BGAKMJWLAYRDRU-VIFPVBQESA-N 1 1 336.373 1.691 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000357649858 151101225 /nfs/dbraw/zinc/10/12/25/151101225.db2.gz DGSZBPKFPDWZBV-JTQLQIEISA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000357649858 151101227 /nfs/dbraw/zinc/10/12/27/151101227.db2.gz DGSZBPKFPDWZBV-JTQLQIEISA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000357943179 151205575 /nfs/dbraw/zinc/20/55/75/151205575.db2.gz SJAOBJNRYAIYHM-UHFFFAOYSA-N 1 1 339.417 1.834 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000357943179 151205577 /nfs/dbraw/zinc/20/55/77/151205577.db2.gz SJAOBJNRYAIYHM-UHFFFAOYSA-N 1 1 339.417 1.834 20 5 EDBDMO Cn1cc(CNC[C@@]2(O)CC[N@@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358164744 151292364 /nfs/dbraw/zinc/29/23/64/151292364.db2.gz KBPYELMGJFYRBV-KRWDZBQOSA-N 1 1 345.403 1.152 20 5 EDBDMO Cn1cc(C[NH2+]C[C@@]2(O)CCN(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358164744 151292367 /nfs/dbraw/zinc/29/23/67/151292367.db2.gz KBPYELMGJFYRBV-KRWDZBQOSA-N 1 1 345.403 1.152 20 5 EDBDMO CC[C@@H]1CN(c2c([N+](=O)[O-])nc(C)n2CC)CC[N@H+]1C[C@H](C)O ZINC000360901379 152246186 /nfs/dbraw/zinc/24/61/86/152246186.db2.gz IQJDADNOZPBHOV-WCQYABFASA-N 1 1 325.413 1.401 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000363642250 153020141 /nfs/dbraw/zinc/02/01/41/153020141.db2.gz XSOCNCITGHWYRT-LBPRGKRZSA-N 1 1 330.348 1.191 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000364032050 153127286 /nfs/dbraw/zinc/12/72/86/153127286.db2.gz HJIWRTVFPUHLRK-KGLIPLIRSA-N 1 1 335.408 1.575 20 5 EDBDMO COc1cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc([N+](=O)[O-])c1C ZINC000364570937 153275029 /nfs/dbraw/zinc/27/50/29/153275029.db2.gz AHKPBTJZDJBKLN-KGLIPLIRSA-N 1 1 349.387 1.505 20 5 EDBDMO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000364943311 153378052 /nfs/dbraw/zinc/37/80/52/153378052.db2.gz KZBIEMRGLJDEEN-AWEZNQCLSA-N 1 1 327.406 1.417 20 5 EDBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000364943311 153378054 /nfs/dbraw/zinc/37/80/54/153378054.db2.gz KZBIEMRGLJDEEN-AWEZNQCLSA-N 1 1 327.406 1.417 20 5 EDBDMO NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000367491931 154146477 /nfs/dbraw/zinc/14/64/77/154146477.db2.gz BDMLRKBUYCLCRM-KRWDZBQOSA-N 1 1 345.355 1.667 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000371689483 156063987 /nfs/dbraw/zinc/06/39/87/156063987.db2.gz PPBFVGCSTKVLFP-KGLIPLIRSA-N 1 1 347.375 1.091 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@](O)(C4CC4)C3)o2)cc1 ZINC000373911904 157062307 /nfs/dbraw/zinc/06/23/07/157062307.db2.gz STDKEPGQXJYJET-INIZCTEOSA-N 1 1 330.344 1.992 20 5 EDBDMO O=C1NCCCC[C@@H]1[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374077505 157133671 /nfs/dbraw/zinc/13/36/71/157133671.db2.gz FADMCWMLSCHTRK-INIZCTEOSA-N 1 1 332.404 1.381 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000374392265 157273087 /nfs/dbraw/zinc/27/30/87/157273087.db2.gz KMTOZZKZLKYAQW-SQWLQELKSA-N 1 1 336.388 1.693 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c2nonc21 ZINC000374540941 157322765 /nfs/dbraw/zinc/32/27/65/157322765.db2.gz IKCYKQSQGUVYOV-NWDGAFQWSA-N 1 1 347.375 1.557 20 5 EDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000378538063 158203785 /nfs/dbraw/zinc/20/37/85/158203785.db2.gz FYYGCKWWVRHNEE-VXGBXAGGSA-N 1 1 334.376 1.160 20 5 EDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000378538063 158203788 /nfs/dbraw/zinc/20/37/88/158203788.db2.gz FYYGCKWWVRHNEE-VXGBXAGGSA-N 1 1 334.376 1.160 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000352334781 162124043 /nfs/dbraw/zinc/12/40/43/162124043.db2.gz KKJOVQVBXWMTAW-LLVKDONJSA-N 1 1 335.360 1.785 20 5 EDBDMO Cc1nn(CCC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000365214084 162357351 /nfs/dbraw/zinc/35/73/51/162357351.db2.gz SGZWZWKQHSDCFM-AWEZNQCLSA-N 1 1 349.435 1.931 20 5 EDBDMO Cc1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000418002215 304444835 /nfs/dbraw/zinc/44/48/35/304444835.db2.gz LVBOEAIRPOWUSW-UHFFFAOYSA-N 1 1 338.389 1.200 20 5 EDBDMO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCCO1 ZINC000072610713 287254872 /nfs/dbraw/zinc/25/48/72/287254872.db2.gz UTSVMMLTMLOPCZ-GJZGRUSLSA-N 1 1 326.397 1.433 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCN3CCOCC3)C2)nc1 ZINC000072665176 287255286 /nfs/dbraw/zinc/25/52/86/287255286.db2.gz CDQCMIZFMUFPAY-CQSZACIVSA-N 1 1 335.408 1.198 20 5 EDBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)Nc1cccc([N+](=O)[O-])c1 ZINC000171953587 227383261 /nfs/dbraw/zinc/38/32/61/227383261.db2.gz MTNLTTQIFLNAAU-HNNXBMFYSA-N 1 1 336.392 1.953 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123230698 222238823 /nfs/dbraw/zinc/23/88/23/222238823.db2.gz YNIPUFQLQZBZAC-UHFFFAOYSA-N 1 1 346.387 1.841 20 5 EDBDMO Cc1cc(N2CCC(Nc3ncc([N+](=O)[O-])cn3)CC2)nc(C)[nH+]1 ZINC000273625287 268067562 /nfs/dbraw/zinc/06/75/62/268067562.db2.gz PJNBIPFEEWYBQM-UHFFFAOYSA-N 1 1 329.364 1.873 20 5 EDBDMO CC[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@H+]1C[C@@H](C)O ZINC000275420176 268340408 /nfs/dbraw/zinc/34/04/08/268340408.db2.gz UBSAWGSPQUBLTG-OLZOCXBDSA-N 1 1 334.420 1.844 20 5 EDBDMO CC[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C[C@@H](C)O ZINC000277903301 273233168 /nfs/dbraw/zinc/23/31/68/273233168.db2.gz RMDSUTXWKJWQOQ-VXGBXAGGSA-N 1 1 333.392 1.753 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000284086959 274076017 /nfs/dbraw/zinc/07/60/17/274076017.db2.gz LRWWRNAEQLZKOX-RYUDHWBXSA-N 1 1 338.364 1.390 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000284086964 274076084 /nfs/dbraw/zinc/07/60/84/274076084.db2.gz LRWWRNAEQLZKOX-VXGBXAGGSA-N 1 1 338.364 1.390 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000377165773 274099601 /nfs/dbraw/zinc/09/96/01/274099601.db2.gz RFPIVUIVLUUSLS-CZUORRHYSA-N 1 1 335.404 1.898 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000284775262 274327044 /nfs/dbraw/zinc/32/70/44/274327044.db2.gz AKJIJPPBPJOEOZ-ZIAGYGMSSA-N 1 1 339.779 1.793 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000291821546 289189275 /nfs/dbraw/zinc/18/92/75/289189275.db2.gz FFSUPQRQYYMODR-OAHLLOKOSA-N 1 1 339.417 1.620 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000292320020 289315908 /nfs/dbraw/zinc/31/59/08/289315908.db2.gz OTYVPOYYSHHEJL-MRXNPFEDSA-N 1 1 334.376 1.699 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000248752415 290240026 /nfs/dbraw/zinc/24/00/26/290240026.db2.gz VDKSZPNNVYDETC-WFASDCNBSA-N 1 1 339.417 1.700 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000294098019 303062690 /nfs/dbraw/zinc/06/26/90/303062690.db2.gz YBEVAMPQRDKDTE-TXEJJXNPSA-N 1 1 349.387 1.936 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000294098019 303062692 /nfs/dbraw/zinc/06/26/92/303062692.db2.gz YBEVAMPQRDKDTE-TXEJJXNPSA-N 1 1 349.387 1.936 20 5 EDBDMO Cc1c(NC(=O)NCCC[N@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000294184435 303074305 /nfs/dbraw/zinc/07/43/05/303074305.db2.gz JWWYNAKHEGPAHL-UHFFFAOYSA-N 1 1 337.424 1.908 20 5 EDBDMO Cc1c(NC(=O)NCCCN(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000294184435 303074307 /nfs/dbraw/zinc/07/43/07/303074307.db2.gz JWWYNAKHEGPAHL-UHFFFAOYSA-N 1 1 337.424 1.908 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000295621929 303243143 /nfs/dbraw/zinc/24/31/43/303243143.db2.gz YRWVGIVMVJULIO-LBPRGKRZSA-N 1 1 337.376 1.180 20 5 EDBDMO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000296738923 303334441 /nfs/dbraw/zinc/33/44/41/303334441.db2.gz OSXHVYPMNGDLLW-CYBMUJFWSA-N 1 1 332.404 1.949 20 5 EDBDMO Cc1nc(N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000301665807 303688371 /nfs/dbraw/zinc/68/83/71/303688371.db2.gz WNDRULVOYMUZEZ-CQSZACIVSA-N 1 1 333.392 1.041 20 5 EDBDMO COc1cc(F)c([N+](=O)[O-])c(NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000301765217 303694168 /nfs/dbraw/zinc/69/41/68/303694168.db2.gz NGGAUNWQIOSVQE-OAHLLOKOSA-N 1 1 343.355 1.238 20 5 EDBDMO Cc1c(CC(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)cccc1[N+](=O)[O-] ZINC000423635003 304902788 /nfs/dbraw/zinc/90/27/88/304902788.db2.gz RCHWZWWJFQZAEO-OAHLLOKOSA-N 1 1 343.387 1.352 20 5 EDBDMO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429776635 305036704 /nfs/dbraw/zinc/03/67/04/305036704.db2.gz SYSWEAKUJQBUIS-QWHCGFSZSA-N 1 1 345.359 1.649 20 5 EDBDMO O=C(CC[N@@H+]1CC[C@@](O)(C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451424314 305345246 /nfs/dbraw/zinc/34/52/46/305345246.db2.gz GCEYHDJURLRHNT-AWEZNQCLSA-N 1 1 329.303 1.625 20 5 EDBDMO CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451946852 305373227 /nfs/dbraw/zinc/37/32/27/305373227.db2.gz NBEUBMAWAMGXPK-RBSFLKMASA-N 1 1 335.360 1.094 20 5 EDBDMO COc1cc(CN2CC[N@@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000452121027 305384141 /nfs/dbraw/zinc/38/41/41/305384141.db2.gz GHJWUMWFRNBCBV-NSHDSACASA-N 1 1 327.356 1.241 20 5 EDBDMO O=C(C[N@@H+]1CC[C@@H](CCCO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452130294 305384814 /nfs/dbraw/zinc/38/48/14/305384814.db2.gz NXBANJFJUQRHJL-CYBMUJFWSA-N 1 1 333.388 1.578 20 5 EDBDMO NC(=O)c1ccc(C[NH+]2CCC(O)(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000426255343 447407043 /nfs/dbraw/zinc/40/70/43/447407043.db2.gz YFTRSJIDKULPNU-UHFFFAOYSA-N 1 1 329.303 1.286 20 5 EDBDMO COc1cc(OCC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000057705619 441128213 /nfs/dbraw/zinc/12/82/13/441128213.db2.gz ANBSVXYRETXXMU-LLVKDONJSA-N 1 1 337.376 1.581 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000378527372 447438985 /nfs/dbraw/zinc/43/89/85/447438985.db2.gz CYBXLPWEXKVPBM-GFCCVEGCSA-N 1 1 348.403 1.502 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000063115796 441315232 /nfs/dbraw/zinc/31/52/32/441315232.db2.gz DPGKOOVHCBDLID-WCQYABFASA-N 1 1 346.387 1.066 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)CNc2ccccc2[N+](=O)[O-])n1C ZINC000074096930 441391608 /nfs/dbraw/zinc/39/16/08/441391608.db2.gz XAZVZAUIMJWQMP-UHFFFAOYSA-N 1 1 332.364 1.123 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])n1C ZINC000074096817 441392188 /nfs/dbraw/zinc/39/21/88/441392188.db2.gz BLRXDHHCVLDERS-UHFFFAOYSA-N 1 1 346.391 1.513 20 5 EDBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000025579343 441350179 /nfs/dbraw/zinc/35/01/79/441350179.db2.gz XGYWPJQJHWZMGD-UHFFFAOYSA-N 1 1 337.336 1.125 20 5 EDBDMO CCOCC[N@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000107680093 441424063 /nfs/dbraw/zinc/42/40/63/441424063.db2.gz BIFGZUSIUDXQPZ-UHFFFAOYSA-N 1 1 325.365 1.900 20 5 EDBDMO CCOCC[N@@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000107680093 441424070 /nfs/dbraw/zinc/42/40/70/441424070.db2.gz BIFGZUSIUDXQPZ-UHFFFAOYSA-N 1 1 325.365 1.900 20 5 EDBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000108300237 441441511 /nfs/dbraw/zinc/44/15/11/441441511.db2.gz ZYXANDJNRJAFRK-GFCCVEGCSA-N 1 1 349.387 1.826 20 5 EDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000108328575 441443959 /nfs/dbraw/zinc/44/39/59/441443959.db2.gz VVFKOMKSMVKJBO-CYBMUJFWSA-N 1 1 343.387 1.852 20 5 EDBDMO Cc1cc(N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000074747440 441462401 /nfs/dbraw/zinc/46/24/01/441462401.db2.gz QEHZETPXULCLKP-HNNXBMFYSA-N 1 1 333.436 1.762 20 5 EDBDMO COC(=O)c1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000113230663 441590812 /nfs/dbraw/zinc/59/08/12/441590812.db2.gz FLZGHEOZELFKOM-BXUZGUMPSA-N 1 1 347.371 1.690 20 5 EDBDMO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000089932863 441598960 /nfs/dbraw/zinc/59/89/60/441598960.db2.gz PSPAZOGDKIIHSN-TZMCWYRMSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000089932863 441598964 /nfs/dbraw/zinc/59/89/64/441598964.db2.gz PSPAZOGDKIIHSN-TZMCWYRMSA-N 1 1 333.388 1.577 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+](C)CC(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000041894393 441681770 /nfs/dbraw/zinc/68/17/70/441681770.db2.gz ZVTHMYUQSHKDIN-UHFFFAOYSA-N 1 1 334.376 1.442 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121475655 441713324 /nfs/dbraw/zinc/71/33/24/441713324.db2.gz IMECKFZZCWSBJS-ZDUSSCGKSA-N 1 1 348.403 1.751 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000173413487 441740890 /nfs/dbraw/zinc/74/08/90/441740890.db2.gz JQVMSMNNUHJWTL-LBPRGKRZSA-N 1 1 343.405 1.318 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000173413487 441740893 /nfs/dbraw/zinc/74/08/93/441740893.db2.gz JQVMSMNNUHJWTL-LBPRGKRZSA-N 1 1 343.405 1.318 20 5 EDBDMO COc1ccc(OCC[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000173661064 441817781 /nfs/dbraw/zinc/81/77/81/441817781.db2.gz CZSLIKDAHUOPMV-NWDGAFQWSA-N 1 1 337.376 1.568 20 5 EDBDMO CN(C(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000139899603 441828687 /nfs/dbraw/zinc/82/86/87/441828687.db2.gz KQCFQMISLQHMMH-PBHICJAKSA-N 1 1 346.431 1.974 20 5 EDBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000140647746 441841584 /nfs/dbraw/zinc/84/15/84/441841584.db2.gz YUTLEQNQQDEYKU-SOUVJXGZSA-N 1 1 340.424 1.678 20 5 EDBDMO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000068801093 441854552 /nfs/dbraw/zinc/85/45/52/441854552.db2.gz PTTHXZBHCNBXNX-IAGOWNOFSA-N 1 1 347.415 1.689 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1C ZINC000069129395 441896307 /nfs/dbraw/zinc/89/63/07/441896307.db2.gz INEZTFHRKFZFIN-NSHDSACASA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174785497 441969030 /nfs/dbraw/zinc/96/90/30/441969030.db2.gz PHZGNNRCTUQMLS-GJZGRUSLSA-N 1 1 348.407 1.340 20 5 EDBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078629276 441955911 /nfs/dbraw/zinc/95/59/11/441955911.db2.gz KBBKTGFQXXKMOO-UHFFFAOYSA-N 1 1 349.435 1.679 20 5 EDBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078629276 441955915 /nfs/dbraw/zinc/95/59/15/441955915.db2.gz KBBKTGFQXXKMOO-UHFFFAOYSA-N 1 1 349.435 1.679 20 5 EDBDMO CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+](C)C1 ZINC000151114311 442008554 /nfs/dbraw/zinc/00/85/54/442008554.db2.gz XMLJTFVAFDCUSV-GFCCVEGCSA-N 1 1 344.371 1.603 20 5 EDBDMO Cc1c(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000151463342 442066458 /nfs/dbraw/zinc/06/64/58/442066458.db2.gz TXZBLCZJPWKLLS-LBPRGKRZSA-N 1 1 336.392 1.993 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120523967 442087773 /nfs/dbraw/zinc/08/77/73/442087773.db2.gz WUTYASXDSZXSQH-ABAIWWIYSA-N 1 1 339.417 1.812 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120523967 442087777 /nfs/dbraw/zinc/08/77/77/442087777.db2.gz WUTYASXDSZXSQH-ABAIWWIYSA-N 1 1 339.417 1.812 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000176190716 442188035 /nfs/dbraw/zinc/18/80/35/442188035.db2.gz FLMYACZNLMWPSE-UHFFFAOYSA-N 1 1 346.347 1.522 20 5 EDBDMO NC(=O)CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000170734659 442253503 /nfs/dbraw/zinc/25/35/03/442253503.db2.gz PHADSJCJAAEDAP-CYBMUJFWSA-N 1 1 348.403 1.901 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170738343 442255315 /nfs/dbraw/zinc/25/53/15/442255315.db2.gz KFGROOUTPYVMLI-CYBMUJFWSA-N 1 1 348.403 1.819 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170738343 442255316 /nfs/dbraw/zinc/25/53/16/442255316.db2.gz KFGROOUTPYVMLI-CYBMUJFWSA-N 1 1 348.403 1.819 20 5 EDBDMO CC1(C)NC(=O)N(CCC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000153281184 442272790 /nfs/dbraw/zinc/27/27/90/442272790.db2.gz HXWNCCIIKKJGBK-UHFFFAOYSA-N 1 1 346.387 1.673 20 5 EDBDMO CC1(C)NC(=O)N(CCC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000153281184 442272793 /nfs/dbraw/zinc/27/27/93/442272793.db2.gz HXWNCCIIKKJGBK-UHFFFAOYSA-N 1 1 346.387 1.673 20 5 EDBDMO CC[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000153718623 442298329 /nfs/dbraw/zinc/29/83/29/442298329.db2.gz IFAHJZYMZPGCSR-ZYHUDNBSSA-N 1 1 328.800 1.925 20 5 EDBDMO COC[C@@](C)(CCO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177405882 442337442 /nfs/dbraw/zinc/33/74/42/442337442.db2.gz SRERVJFOVZGRAX-OAHLLOKOSA-N 1 1 336.348 1.522 20 5 EDBDMO COCCC[N@@H+](C)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000172771497 442540493 /nfs/dbraw/zinc/54/04/93/442540493.db2.gz YDIYEGJYNHWBJR-UHFFFAOYSA-N 1 1 345.421 1.379 20 5 EDBDMO C[N@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000180189203 442556229 /nfs/dbraw/zinc/55/62/29/442556229.db2.gz SDIULMZODGFRPN-ZBFHGGJFSA-N 1 1 329.360 1.353 20 5 EDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000186388486 442523564 /nfs/dbraw/zinc/52/35/64/442523564.db2.gz JPGGVAMOOHZIKN-NSHDSACASA-N 1 1 345.396 1.805 20 5 EDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000186388486 442523570 /nfs/dbraw/zinc/52/35/70/442523570.db2.gz JPGGVAMOOHZIKN-NSHDSACASA-N 1 1 345.396 1.805 20 5 EDBDMO C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000156817157 442524292 /nfs/dbraw/zinc/52/42/92/442524292.db2.gz SHUHRBWWFJYAOM-SWLSCSKDSA-N 1 1 337.376 1.199 20 5 EDBDMO C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000156817157 442524297 /nfs/dbraw/zinc/52/42/97/442524297.db2.gz SHUHRBWWFJYAOM-SWLSCSKDSA-N 1 1 337.376 1.199 20 5 EDBDMO CN(C)S(=O)(=O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135219405 442569891 /nfs/dbraw/zinc/56/98/91/442569891.db2.gz UXUQSLJKLXZEGO-UHFFFAOYSA-N 1 1 341.433 1.841 20 5 EDBDMO CN(C)S(=O)(=O)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135219405 442569896 /nfs/dbraw/zinc/56/98/96/442569896.db2.gz UXUQSLJKLXZEGO-UHFFFAOYSA-N 1 1 341.433 1.841 20 5 EDBDMO COc1cc(OCC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000192482457 442652221 /nfs/dbraw/zinc/65/22/21/442652221.db2.gz IAAAQMKUFCMDST-TXEJJXNPSA-N 1 1 335.360 1.002 20 5 EDBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157790782 442613738 /nfs/dbraw/zinc/61/37/38/442613738.db2.gz YPHHADPLGOTKIO-UONOGXRCSA-N 1 1 337.424 1.808 20 5 EDBDMO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1CCO ZINC000187707874 442687149 /nfs/dbraw/zinc/68/71/49/442687149.db2.gz YEOCGCQEGMMTOI-GFCCVEGCSA-N 1 1 347.375 1.143 20 5 EDBDMO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@H+]1CCO ZINC000187707874 442687151 /nfs/dbraw/zinc/68/71/51/442687151.db2.gz YEOCGCQEGMMTOI-GFCCVEGCSA-N 1 1 347.375 1.143 20 5 EDBDMO C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181533401 442702429 /nfs/dbraw/zinc/70/24/29/442702429.db2.gz LXIYAROZTORYPJ-GFCCVEGCSA-N 1 1 339.392 1.181 20 5 EDBDMO C[N@H+](CC(=O)NC(C)(C)C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181533401 442702431 /nfs/dbraw/zinc/70/24/31/442702431.db2.gz LXIYAROZTORYPJ-GFCCVEGCSA-N 1 1 339.392 1.181 20 5 EDBDMO O=C1CCc2cc([N+](=O)[O-])c(NCCC[NH+]3CCOCC3)cc2N1 ZINC000193521910 442750550 /nfs/dbraw/zinc/75/05/50/442750550.db2.gz YWYOEHPCSGZWAT-UHFFFAOYSA-N 1 1 334.376 1.614 20 5 EDBDMO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1CC(C)(C)O ZINC000188754079 442805026 /nfs/dbraw/zinc/80/50/26/442805026.db2.gz OLSRIWQIGDUOII-NSHDSACASA-N 1 1 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/nfs/dbraw/zinc/76/43/62/446764362.db2.gz KMUIRMKFMGFEHY-CYBMUJFWSA-N 1 1 335.408 1.855 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000454941378 447010760 /nfs/dbraw/zinc/01/07/60/447010760.db2.gz KAUHETAJIGHLGP-GFCCVEGCSA-N 1 1 336.392 1.742 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000454941378 447010762 /nfs/dbraw/zinc/01/07/62/447010762.db2.gz KAUHETAJIGHLGP-GFCCVEGCSA-N 1 1 336.392 1.742 20 5 EDBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425440288 447163010 /nfs/dbraw/zinc/16/30/10/447163010.db2.gz DQKMCHFVPWRBOZ-QPUJVOFHSA-N 1 1 342.193 1.972 20 5 EDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368821378 447133283 /nfs/dbraw/zinc/13/32/83/447133283.db2.gz BWOURRKPUHCXPZ-INIZCTEOSA-N 1 1 335.404 1.898 20 5 EDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368821378 447133291 /nfs/dbraw/zinc/13/32/91/447133291.db2.gz BWOURRKPUHCXPZ-INIZCTEOSA-N 1 1 335.404 1.898 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000421793036 447253213 /nfs/dbraw/zinc/25/32/13/447253213.db2.gz SSFYSTYLVGKTPZ-UHFFFAOYSA-N 1 1 335.404 1.740 20 5 EDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368972202 447234457 /nfs/dbraw/zinc/23/44/57/447234457.db2.gz FOYMBWJZNNCWJV-PJODQICGSA-N 1 1 346.387 1.509 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372800135 447290683 /nfs/dbraw/zinc/29/06/83/447290683.db2.gz HWFZWBTYQAXNHB-CABCVRRESA-N 1 1 349.387 1.275 20 5 EDBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000457062315 447508561 /nfs/dbraw/zinc/50/85/61/447508561.db2.gz UQGZBRGZPLRZST-UHFFFAOYSA-N 1 1 335.360 1.928 20 5 EDBDMO O=[N+]([O-])c1cc2ccccc2nc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450796114 447579182 /nfs/dbraw/zinc/57/91/82/447579182.db2.gz VDOQNGFWWFPDBG-OKILXGFUSA-N 1 1 328.372 2.418 20 5 EDBDMO COC(=O)Cc1ccc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000450796131 447579254 /nfs/dbraw/zinc/57/92/54/447579254.db2.gz VIECPZDYQZHIHF-OKILXGFUSA-N 1 1 349.387 1.585 20 5 EDBDMO O=[N+]([O-])c1c(N[C@H]2CCC[N@H+](CCCO)C2)nc2sccn21 ZINC000450622381 447540016 /nfs/dbraw/zinc/54/00/16/447540016.db2.gz YVOVLHGBROFQBS-JTQLQIEISA-N 1 1 325.394 1.563 20 5 EDBDMO C[C@@H]1NC(=O)N(CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1=O ZINC000459352034 447643434 /nfs/dbraw/zinc/64/34/34/447643434.db2.gz RIKBHYPNNSRIEA-NSHDSACASA-N 1 1 332.360 1.500 20 5 EDBDMO C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000451086478 447675457 /nfs/dbraw/zinc/67/54/57/447675457.db2.gz MPISIAQTSLUKTP-LBPRGKRZSA-N 1 1 332.404 1.610 20 5 EDBDMO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](CO)[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000459707002 447746748 /nfs/dbraw/zinc/74/67/48/447746748.db2.gz NYMBKJINVBXFAD-BDJLRTHQSA-N 1 1 348.355 1.648 20 5 EDBDMO [NH3+]C[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423042441 447796455 /nfs/dbraw/zinc/79/64/55/447796455.db2.gz ZEPNGVYAMJRKPA-IUODEOHRSA-N 1 1 341.433 1.476 20 5 EDBDMO CC(C)[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000489324266 447854874 /nfs/dbraw/zinc/85/48/74/447854874.db2.gz DHMUMDPDUDFTBJ-OAHLLOKOSA-N 1 1 348.403 1.123 20 5 EDBDMO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1scnc1C ZINC000489445813 447857278 /nfs/dbraw/zinc/85/72/78/447857278.db2.gz HAJYVJALUZLDLW-UHFFFAOYSA-N 1 1 325.394 1.705 20 5 EDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1scnc1C ZINC000489445813 447857284 /nfs/dbraw/zinc/85/72/84/447857284.db2.gz HAJYVJALUZLDLW-UHFFFAOYSA-N 1 1 325.394 1.705 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C2CCC2)CC1 ZINC000576745861 448130708 /nfs/dbraw/zinc/13/07/08/448130708.db2.gz BITGXIGXRQBALE-INIZCTEOSA-N 1 1 349.431 1.941 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1CC[NH+](C2CCC2)CC1 ZINC000576745861 448130714 /nfs/dbraw/zinc/13/07/14/448130714.db2.gz BITGXIGXRQBALE-INIZCTEOSA-N 1 1 349.431 1.941 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000492780029 448289878 /nfs/dbraw/zinc/28/98/78/448289878.db2.gz DVGXTIASPJSMHP-DKLOGILVSA-N 1 1 331.372 1.540 20 5 EDBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCOCC1 ZINC000533310198 448385013 /nfs/dbraw/zinc/38/50/13/448385013.db2.gz UUTJWMRWKFOBFB-UHFFFAOYSA-N 1 1 337.332 1.373 20 5 EDBDMO CC(C)Oc1nc(N2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000584665457 448592930 /nfs/dbraw/zinc/59/29/30/448592930.db2.gz NHALNWGVZXEXPS-UHFFFAOYSA-N 1 1 332.364 1.827 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000573581290 448664377 /nfs/dbraw/zinc/66/43/77/448664377.db2.gz UWBUVGVDGGEYBD-AAEUAGOBSA-N 1 1 332.303 1.648 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCCO1 ZINC000588033829 448860814 /nfs/dbraw/zinc/86/08/14/448860814.db2.gz QTLSZXZMGARDIM-GFCCVEGCSA-N 1 1 338.408 1.582 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000588814231 448933728 /nfs/dbraw/zinc/93/37/28/448933728.db2.gz UUDXPABACQXJFG-CQSZACIVSA-N 1 1 337.424 1.811 20 5 EDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000595608813 449076712 /nfs/dbraw/zinc/07/67/12/449076712.db2.gz WWEORIHUYXNNJL-CQSZACIVSA-N 1 1 331.376 1.977 20 5 EDBDMO Cc1sc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000589924529 449080818 /nfs/dbraw/zinc/08/08/18/449080818.db2.gz GKSDLUZDAZEXFL-GXSJLCMTSA-N 1 1 331.419 1.289 20 5 EDBDMO Cc1sc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000589924529 449080826 /nfs/dbraw/zinc/08/08/26/449080826.db2.gz GKSDLUZDAZEXFL-GXSJLCMTSA-N 1 1 331.419 1.289 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000589930221 449083873 /nfs/dbraw/zinc/08/38/73/449083873.db2.gz UXXWHJNHLDDSBB-JSGCOSHPSA-N 1 1 325.390 1.061 20 5 EDBDMO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593092109 449130965 /nfs/dbraw/zinc/13/09/65/449130965.db2.gz MSJCGBQDHMZHHP-KBPBESRZSA-N 1 1 336.388 1.978 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593092109 449130969 /nfs/dbraw/zinc/13/09/69/449130969.db2.gz MSJCGBQDHMZHHP-KBPBESRZSA-N 1 1 336.388 1.978 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000595727391 449133889 /nfs/dbraw/zinc/13/38/89/449133889.db2.gz BRTKJLABLDTMQK-TZMCWYRMSA-N 1 1 347.371 1.482 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000595727391 449133892 /nfs/dbraw/zinc/13/38/92/449133892.db2.gz BRTKJLABLDTMQK-TZMCWYRMSA-N 1 1 347.371 1.482 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593591282 449093606 /nfs/dbraw/zinc/09/36/06/449093606.db2.gz MTGLAXNBBXCSHS-NSHDSACASA-N 1 1 328.394 1.095 20 5 EDBDMO Cc1cncc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000592997359 449097337 /nfs/dbraw/zinc/09/73/37/449097337.db2.gz YGLRACDNGKTVQX-UHFFFAOYSA-N 1 1 328.376 1.453 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000593019157 449104467 /nfs/dbraw/zinc/10/44/67/449104467.db2.gz PXKBVIIENNTJJX-HNNXBMFYSA-N 1 1 349.387 1.288 20 5 EDBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000593062179 449118997 /nfs/dbraw/zinc/11/89/97/449118997.db2.gz BGFWDNHDBMTKIA-UONOGXRCSA-N 1 1 337.376 1.313 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[C@@H]2C1 ZINC000590442999 449163623 /nfs/dbraw/zinc/16/36/23/449163623.db2.gz CXGIYGIYMLZSNQ-GXFFZTMASA-N 1 1 333.344 1.142 20 5 EDBDMO COc1ccc(CC(=O)NC2CC([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000600068530 449170137 /nfs/dbraw/zinc/17/01/37/449170137.db2.gz GKYNBAHDAOLHKR-UHFFFAOYSA-N 1 1 349.387 1.125 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593114617 449141342 /nfs/dbraw/zinc/14/13/42/449141342.db2.gz CGEMSJQAFZWHJX-LRDDRELGSA-N 1 1 348.378 1.953 20 5 EDBDMO COCCOCC[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593118448 449143238 /nfs/dbraw/zinc/14/32/38/449143238.db2.gz WFGTVBALZNTPEP-UHFFFAOYSA-N 1 1 337.420 1.418 20 5 EDBDMO COCCOCCN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593118448 449143241 /nfs/dbraw/zinc/14/32/41/449143241.db2.gz WFGTVBALZNTPEP-UHFFFAOYSA-N 1 1 337.420 1.418 20 5 EDBDMO COCCOCC[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000593118342 449143865 /nfs/dbraw/zinc/14/38/65/449143865.db2.gz VEEXDHABAOMSKI-UHFFFAOYSA-N 1 1 341.383 1.515 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000590399207 449146856 /nfs/dbraw/zinc/14/68/56/449146856.db2.gz JBWJYVRTEVVKDJ-DLBZAZTESA-N 1 1 347.415 1.849 20 5 EDBDMO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nnc2n1CCCCC2 ZINC000595799467 449173156 /nfs/dbraw/zinc/17/31/56/449173156.db2.gz GGGNWTPWAOILNE-LBPRGKRZSA-N 1 1 333.396 1.850 20 5 EDBDMO CNc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000600112203 449196374 /nfs/dbraw/zinc/19/63/74/449196374.db2.gz PKCXCQPWHIEVMT-UHFFFAOYSA-N 1 1 348.403 1.573 20 5 EDBDMO CCN1CC[NH+](C[C@@H](C)CNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000590574385 449197297 /nfs/dbraw/zinc/19/72/97/449197297.db2.gz IRCGXCMPBAUIFN-LBPRGKRZSA-N 1 1 341.843 1.751 20 5 EDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000590550982 449184877 /nfs/dbraw/zinc/18/48/77/449184877.db2.gz URQCQZGPVKPKAX-OLZOCXBDSA-N 1 1 349.387 1.275 20 5 EDBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595825157 449188414 /nfs/dbraw/zinc/18/84/14/449188414.db2.gz CGSKVIVEBYEALE-CYBMUJFWSA-N 1 1 336.392 1.661 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000593847212 449234246 /nfs/dbraw/zinc/23/42/46/449234246.db2.gz BMOZIRZHMGEHDZ-CYBMUJFWSA-N 1 1 329.360 1.317 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000593847212 449234251 /nfs/dbraw/zinc/23/42/51/449234251.db2.gz BMOZIRZHMGEHDZ-CYBMUJFWSA-N 1 1 329.360 1.317 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973345 449255536 /nfs/dbraw/zinc/25/55/36/449255536.db2.gz LCCUSIVSTPNDDQ-SDDRHHMPSA-N 1 1 335.360 1.509 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973345 449255539 /nfs/dbraw/zinc/25/55/39/449255539.db2.gz LCCUSIVSTPNDDQ-SDDRHHMPSA-N 1 1 335.360 1.509 20 5 EDBDMO Cc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1[N+](=O)[O-] ZINC000593918470 449286648 /nfs/dbraw/zinc/28/66/48/449286648.db2.gz DUGMHGUVFQNBLY-TUAOUCFPSA-N 1 1 337.380 1.127 20 5 EDBDMO COc1cc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000611516677 449318949 /nfs/dbraw/zinc/31/89/49/449318949.db2.gz OBWKURNEHPKMGG-MRXNPFEDSA-N 1 1 348.447 1.815 20 5 EDBDMO CN(CC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000593516679 449320285 /nfs/dbraw/zinc/32/02/85/449320285.db2.gz QGBAEGNOPNBVCU-UHFFFAOYSA-N 1 1 341.433 1.920 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000598341834 449357203 /nfs/dbraw/zinc/35/72/03/449357203.db2.gz GQFKVAAIWLVPIW-CQSZACIVSA-N 1 1 343.387 1.995 20 5 EDBDMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000596553256 449550237 /nfs/dbraw/zinc/55/02/37/449550237.db2.gz XMLCSYIIZMSNNU-MRXNPFEDSA-N 1 1 342.403 1.613 20 5 EDBDMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000596553256 449550242 /nfs/dbraw/zinc/55/02/42/449550242.db2.gz XMLCSYIIZMSNNU-MRXNPFEDSA-N 1 1 342.403 1.613 20 5 EDBDMO NC(=O)c1ccnc(N[C@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596479128 449521854 /nfs/dbraw/zinc/52/18/54/449521854.db2.gz KEYCMJBLJBPEMB-NSHDSACASA-N 1 1 333.392 1.908 20 5 EDBDMO CC[NH+]1CCN([C@H](C)CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602513286 449642359 /nfs/dbraw/zinc/64/23/59/449642359.db2.gz BOSJAWBVXJNWSB-CYBMUJFWSA-N 1 1 347.419 1.852 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000594789497 449698885 /nfs/dbraw/zinc/69/88/85/449698885.db2.gz LZHMSMBKNHGCBF-ZDUSSCGKSA-N 1 1 341.433 1.887 20 5 EDBDMO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594792449 449702422 /nfs/dbraw/zinc/70/24/22/449702422.db2.gz QVXIKLLMYRKCQT-NSHDSACASA-N 1 1 327.406 1.746 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594792449 449702428 /nfs/dbraw/zinc/70/24/28/449702428.db2.gz QVXIKLLMYRKCQT-NSHDSACASA-N 1 1 327.406 1.746 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594793931 449704903 /nfs/dbraw/zinc/70/49/03/449704903.db2.gz WPJOYXPAIIRIMT-LBPRGKRZSA-N 1 1 341.433 1.994 20 5 EDBDMO CCN(CC)C(=O)C[NH+]1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000601182777 449738091 /nfs/dbraw/zinc/73/80/91/449738091.db2.gz XEASZSDGZGAVNO-UHFFFAOYSA-N 1 1 335.408 1.735 20 5 EDBDMO C[NH+]1CCN(CC2CN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000599106638 449738835 /nfs/dbraw/zinc/73/88/35/449738835.db2.gz IZBJVFGRSMSTOL-UHFFFAOYSA-N 1 1 325.800 1.327 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC(CN3CC[NH+](C)CC3)C2)c1 ZINC000599109945 449742558 /nfs/dbraw/zinc/74/25/58/449742558.db2.gz YYGXERJQDAWWPW-UHFFFAOYSA-N 1 1 348.403 1.065 20 5 EDBDMO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000599139953 449759537 /nfs/dbraw/zinc/75/95/37/449759537.db2.gz QCEDTYNPSRGPRO-ZDUSSCGKSA-N 1 1 329.360 2.080 20 5 EDBDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000599139953 449759538 /nfs/dbraw/zinc/75/95/38/449759538.db2.gz QCEDTYNPSRGPRO-ZDUSSCGKSA-N 1 1 329.360 2.080 20 5 EDBDMO Cn1cc(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)c([N+](=O)[O-])n1 ZINC000602720696 449766489 /nfs/dbraw/zinc/76/64/89/449766489.db2.gz LNPAELJHSKDQGA-UHFFFAOYSA-N 1 1 330.392 1.974 20 5 EDBDMO Cn1cc(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)c([N+](=O)[O-])n1 ZINC000602720696 449766492 /nfs/dbraw/zinc/76/64/92/449766492.db2.gz LNPAELJHSKDQGA-UHFFFAOYSA-N 1 1 330.392 1.974 20 5 EDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597098586 449812828 /nfs/dbraw/zinc/81/28/28/449812828.db2.gz UXRKBCDFGCRLCZ-CYBMUJFWSA-N 1 1 343.771 1.019 20 5 EDBDMO COC(=O)c1cccc2c1CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000602839312 449846578 /nfs/dbraw/zinc/84/65/78/449846578.db2.gz CWWUFISYKLWHCW-UHFFFAOYSA-N 1 1 344.371 1.945 20 5 EDBDMO COC(=O)c1cccc2c1CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000602839312 449846579 /nfs/dbraw/zinc/84/65/79/449846579.db2.gz CWWUFISYKLWHCW-UHFFFAOYSA-N 1 1 344.371 1.945 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595071230 449854381 /nfs/dbraw/zinc/85/43/81/449854381.db2.gz BNFSVAUXMYGCNG-CYBMUJFWSA-N 1 1 334.376 1.522 20 5 EDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000595107253 449872470 /nfs/dbraw/zinc/87/24/70/449872470.db2.gz HTCOLNLYGWZESP-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601359764 449872937 /nfs/dbraw/zinc/87/29/37/449872937.db2.gz ZFASKTRQACDWIG-SNVBAGLBSA-N 1 1 331.369 1.415 20 5 EDBDMO CC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601359764 449872943 /nfs/dbraw/zinc/87/29/43/449872943.db2.gz ZFASKTRQACDWIG-SNVBAGLBSA-N 1 1 331.369 1.415 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601368643 449882484 /nfs/dbraw/zinc/88/24/84/449882484.db2.gz ZPJFUPAXLWGDHS-WPRPVWTQSA-N 1 1 345.446 1.868 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601368643 449882487 /nfs/dbraw/zinc/88/24/87/449882487.db2.gz ZPJFUPAXLWGDHS-WPRPVWTQSA-N 1 1 345.446 1.868 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])s1 ZINC000601392395 449907247 /nfs/dbraw/zinc/90/72/47/449907247.db2.gz YYEDWGWTSLGGNT-WDEREUQCSA-N 1 1 345.446 1.679 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])s1 ZINC000601392395 449907251 /nfs/dbraw/zinc/90/72/51/449907251.db2.gz YYEDWGWTSLGGNT-WDEREUQCSA-N 1 1 345.446 1.679 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])s1 ZINC000601392392 449907909 /nfs/dbraw/zinc/90/79/09/449907909.db2.gz YYEDWGWTSLGGNT-MNOVXSKESA-N 1 1 345.446 1.679 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])s1 ZINC000601392392 449907912 /nfs/dbraw/zinc/90/79/12/449907912.db2.gz YYEDWGWTSLGGNT-MNOVXSKESA-N 1 1 345.446 1.679 20 5 EDBDMO Cc1c(CNS(=O)(=O)CC2([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000601401349 449917420 /nfs/dbraw/zinc/91/74/20/449917420.db2.gz NOBCFYUDWUXRRB-UHFFFAOYSA-N 1 1 327.406 1.417 20 5 EDBDMO COc1ccc(OCC[N@@H+]2C[C@H](OC)C[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000602964005 449966000 /nfs/dbraw/zinc/96/60/00/449966000.db2.gz LTIZFPBXMGJDDU-CJNGLKHVSA-N 1 1 340.376 1.454 20 5 EDBDMO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000595353653 450067774 /nfs/dbraw/zinc/06/77/74/450067774.db2.gz JEIUWRVTMIJZMN-JTQLQIEISA-N 1 1 333.435 1.727 20 5 EDBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000595353653 450067784 /nfs/dbraw/zinc/06/77/84/450067784.db2.gz JEIUWRVTMIJZMN-JTQLQIEISA-N 1 1 333.435 1.727 20 5 EDBDMO CC1(C)[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000603111401 450073475 /nfs/dbraw/zinc/07/34/75/450073475.db2.gz QCEZIKLCMLOQNM-GJZGRUSLSA-N 1 1 333.388 1.824 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639603 450121075 /nfs/dbraw/zinc/12/10/75/450121075.db2.gz JSHPGTBCZHIBHQ-SUMWQHHRSA-N 1 1 333.388 1.936 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639603 450121079 /nfs/dbraw/zinc/12/10/79/450121079.db2.gz JSHPGTBCZHIBHQ-SUMWQHHRSA-N 1 1 333.388 1.936 20 5 EDBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609984393 450123061 /nfs/dbraw/zinc/12/30/61/450123061.db2.gz BBXPGSOXEMMKDP-AWEZNQCLSA-N 1 1 349.387 1.778 20 5 EDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609984393 450123066 /nfs/dbraw/zinc/12/30/66/450123066.db2.gz BBXPGSOXEMMKDP-AWEZNQCLSA-N 1 1 349.387 1.778 20 5 EDBDMO O=C(C[N@@H+](C1CC1)C1(CO)CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595533489 450212787 /nfs/dbraw/zinc/21/27/87/450212787.db2.gz KJEGIHLVHWWSFX-UHFFFAOYSA-N 1 1 345.399 1.863 20 5 EDBDMO CN(C(=O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595505014 450192244 /nfs/dbraw/zinc/19/22/44/450192244.db2.gz PHQKHEQRIYGHPO-GOSISDBHSA-N 1 1 346.431 1.975 20 5 EDBDMO CCc1ccc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619873328 450349503 /nfs/dbraw/zinc/34/95/03/450349503.db2.gz DPEREWFBPHHTKL-HNNXBMFYSA-N 1 1 332.404 1.277 20 5 EDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000610922319 450380587 /nfs/dbraw/zinc/38/05/87/450380587.db2.gz NZACRZLCHMEVFQ-LLVKDONJSA-N 1 1 339.396 1.282 20 5 EDBDMO Cc1cc(OCC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000619530030 450499235 /nfs/dbraw/zinc/49/92/35/450499235.db2.gz YRLAYJBFJWXHIT-IUODEOHRSA-N 1 1 337.376 1.117 20 5 EDBDMO Cc1cc(OCC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000619530030 450499239 /nfs/dbraw/zinc/49/92/39/450499239.db2.gz YRLAYJBFJWXHIT-IUODEOHRSA-N 1 1 337.376 1.117 20 5 EDBDMO C[C@@H](O)[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000130116777 533842853 /nfs/dbraw/zinc/84/28/53/533842853.db2.gz DMLZCKONRCRRPZ-MNOVXSKESA-N 1 1 325.340 1.765 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000184381187 533906631 /nfs/dbraw/zinc/90/66/31/533906631.db2.gz JFSQRJUKVOEBBL-OAHLLOKOSA-N 1 1 348.447 1.670 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000173733166 527825649 /nfs/dbraw/zinc/82/56/49/527825649.db2.gz VITSWSZGRWEZHT-CYBMUJFWSA-N 1 1 348.403 1.642 20 5 EDBDMO CC[N@@H+](C)[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000129974383 527858832 /nfs/dbraw/zinc/85/88/32/527858832.db2.gz SYBPPFLUOZJZDY-OAHLLOKOSA-N 1 1 331.376 1.601 20 5 EDBDMO CC[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000181133228 529279849 /nfs/dbraw/zinc/27/98/49/529279849.db2.gz GQRYLTHDQMSMTG-NEPJUHHUSA-N 1 1 336.392 1.094 20 5 EDBDMO CC[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000181133228 529279850 /nfs/dbraw/zinc/27/98/50/529279850.db2.gz GQRYLTHDQMSMTG-NEPJUHHUSA-N 1 1 336.392 1.094 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[N@@H+]1C[C@H](C)O ZINC000247052184 535840289 /nfs/dbraw/zinc/84/02/89/535840289.db2.gz YPXIDDVRNIFVLD-CMPLNLGQSA-N 1 1 341.433 1.882 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[N@H+]1C[C@H](C)O ZINC000247052184 535840290 /nfs/dbraw/zinc/84/02/90/535840290.db2.gz YPXIDDVRNIFVLD-CMPLNLGQSA-N 1 1 341.433 1.882 20 5 EDBDMO CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732167052 578695522 /nfs/dbraw/zinc/69/55/22/578695522.db2.gz VLMCVTIXWYTLEC-CQSZACIVSA-N 1 1 347.371 1.481 20 5 EDBDMO O=C(OCCC[NH+]1CCOCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000735894170 578937220 /nfs/dbraw/zinc/93/72/20/578937220.db2.gz OUHKFKHPXDCJJQ-UHFFFAOYSA-N 1 1 333.344 1.955 20 5 EDBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736400660 578985684 /nfs/dbraw/zinc/98/56/84/578985684.db2.gz QLZIUGXWNYRICQ-LLVKDONJSA-N 1 1 346.395 1.846 20 5 EDBDMO Cc1nn(CCC(=O)O[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000788114209 579213958 /nfs/dbraw/zinc/21/39/58/579213958.db2.gz DNNCIDKQVHRZFC-KGLIPLIRSA-N 1 1 336.392 1.968 20 5 EDBDMO O=c1ccccn1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000747329767 579638309 /nfs/dbraw/zinc/63/83/09/579638309.db2.gz VYEHELWNAQFYLD-UHFFFAOYSA-N 1 1 328.372 1.579 20 5 EDBDMO O=[N+]([O-])c1c(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)nc2ccccn21 ZINC000748272230 579677908 /nfs/dbraw/zinc/67/79/08/579677908.db2.gz LUAWWHHKQIDHKR-AWEZNQCLSA-N 1 1 345.403 1.934 20 5 EDBDMO C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000778050203 580455486 /nfs/dbraw/zinc/45/54/86/580455486.db2.gz KWHCYMCFNSKQRX-ZWNOBZJWSA-N 1 1 343.330 1.522 20 5 EDBDMO C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000778050203 580455487 /nfs/dbraw/zinc/45/54/87/580455487.db2.gz KWHCYMCFNSKQRX-ZWNOBZJWSA-N 1 1 343.330 1.522 20 5 EDBDMO COC[C@H]1CCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000751950571 579830026 /nfs/dbraw/zinc/83/00/26/579830026.db2.gz QCTMHFVLYOYDPL-CQSZACIVSA-N 1 1 348.359 1.432 20 5 EDBDMO COC[C@H]1CCC[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000751950571 579830027 /nfs/dbraw/zinc/83/00/27/579830027.db2.gz QCTMHFVLYOYDPL-CQSZACIVSA-N 1 1 348.359 1.432 20 5 EDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000771393423 580285696 /nfs/dbraw/zinc/28/56/96/580285696.db2.gz CTNNUTZDPVSGBJ-VXGBXAGGSA-N 1 1 335.360 1.337 20 5 EDBDMO O=C([C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000776581683 580422076 /nfs/dbraw/zinc/42/20/76/580422076.db2.gz HINRAVDKMJONJQ-DOTOQJQBSA-N 1 1 347.415 1.963 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000776587429 580422611 /nfs/dbraw/zinc/42/26/11/580422611.db2.gz GHEXKXSWOXDTLJ-QZTJIDSGSA-N 1 1 349.431 1.815 20 5 EDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000794706018 580903839 /nfs/dbraw/zinc/90/38/39/580903839.db2.gz SWPFDQPLWACMOK-OAHLLOKOSA-N 1 1 330.348 1.008 20 5 EDBDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000796559860 580956412 /nfs/dbraw/zinc/95/64/12/580956412.db2.gz DRGYBCPEIDFYEI-DOTOQJQBSA-N 1 1 336.388 1.898 20 5 EDBDMO O=C1CC[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1 ZINC000799124566 581017620 /nfs/dbraw/zinc/01/76/20/581017620.db2.gz XKAXVBXXLKMYDV-AWEZNQCLSA-N 1 1 333.344 1.243 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cn3)CC2)cc1 ZINC000799294048 581024186 /nfs/dbraw/zinc/02/41/86/581024186.db2.gz QXJRNPLKZNWPQP-QGZVFWFLSA-N 1 1 346.362 1.985 20 5 EDBDMO COc1c(O)ccc(CNCC[NH+]2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000893362095 590805007 /nfs/dbraw/zinc/80/50/07/590805007.db2.gz UGFYFRQPKDWFFM-UHFFFAOYSA-N 1 1 339.392 1.509 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000892160645 590832251 /nfs/dbraw/zinc/83/22/51/590832251.db2.gz BDNVGTIIJSGCMJ-UHFFFAOYSA-N 1 1 345.407 1.348 20 5 EDBDMO COc1c(O)ccc(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1[N+](=O)[O-] ZINC000892240793 590881618 /nfs/dbraw/zinc/88/16/18/590881618.db2.gz HNYSROVKRFOPDJ-LBPRGKRZSA-N 1 1 337.376 1.609 20 5 EDBDMO CN1CCN(C(=O)C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892713575 591144310 /nfs/dbraw/zinc/14/43/10/591144310.db2.gz JOJKHYKXAWCZDU-UHFFFAOYSA-N 1 1 326.784 1.112 20 5 EDBDMO C[NH+]1CCN(C(=O)CNCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892713575 591144313 /nfs/dbraw/zinc/14/43/13/591144313.db2.gz JOJKHYKXAWCZDU-UHFFFAOYSA-N 1 1 326.784 1.112 20 5 EDBDMO CNC(=O)c1ccc(N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000894796835 591420013 /nfs/dbraw/zinc/42/00/13/591420013.db2.gz FHDCVKLSONEMTA-CALCHBBNSA-N 1 1 332.404 1.732 20 5 EDBDMO Cn1c2ccccc2c(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1=O ZINC000895021585 591527260 /nfs/dbraw/zinc/52/72/60/591527260.db2.gz HJBRZWNWDAOBGA-TZMCWYRMSA-N 1 1 342.399 1.977 20 5 EDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897219019 591773154 /nfs/dbraw/zinc/77/31/54/591773154.db2.gz ICHXCRBPCSJDEL-JKSUJKDBSA-N 1 1 333.388 1.833 20 5 EDBDMO Cc1cc(N2CC[NH2+][C@@H]3CS(=O)(=O)C[C@@H]32)c(Cl)cc1[N+](=O)[O-] ZINC000900393046 592005650 /nfs/dbraw/zinc/00/56/50/592005650.db2.gz FOFCLHWICJXJHB-MFKMUULPSA-N 1 1 345.808 1.132 20 5 EDBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@]1(O)CCC[N@H+](C)C1)CC2 ZINC000901316511 592338202 /nfs/dbraw/zinc/33/82/02/592338202.db2.gz DFDJPDCOGYKBKP-QGZVFWFLSA-N 1 1 333.388 1.639 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)[C@H]2C1 ZINC000908346733 592454667 /nfs/dbraw/zinc/45/46/67/592454667.db2.gz HTYUNCMBMSSOML-YPMHNXCESA-N 1 1 347.371 1.532 20 5 EDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)CCC2(O)CCC2)CC1 ZINC000905878330 592677730 /nfs/dbraw/zinc/67/77/30/592677730.db2.gz YGTLDOMMYJZFHZ-OAHLLOKOSA-N 1 1 349.431 1.773 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906521369 592840238 /nfs/dbraw/zinc/84/02/38/592840238.db2.gz YYOQNQNTPPAJCS-UHFFFAOYSA-N 1 1 343.811 1.875 20 5 EDBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000805821973 593148536 /nfs/dbraw/zinc/14/85/36/593148536.db2.gz HINDTUOYSFXABY-YOEHRIQHSA-N 1 1 335.404 1.866 20 5 EDBDMO CO[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000840121512 593204926 /nfs/dbraw/zinc/20/49/26/593204926.db2.gz AFHMCTZFRWQDQR-HOCLYGCPSA-N 1 1 333.388 1.979 20 5 EDBDMO CO[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000840121512 593204927 /nfs/dbraw/zinc/20/49/27/593204927.db2.gz AFHMCTZFRWQDQR-HOCLYGCPSA-N 1 1 333.388 1.979 20 5 EDBDMO O=C(CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000838895989 593235724 /nfs/dbraw/zinc/23/57/24/593235724.db2.gz VHQDJESURWWZFO-ZDUSSCGKSA-N 1 1 333.392 1.489 20 5 EDBDMO NC(=O)C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000808771936 593287098 /nfs/dbraw/zinc/28/70/98/593287098.db2.gz AVVKAANJAOQMOO-SECBINFHSA-N 1 1 340.767 1.384 20 5 EDBDMO NC(=O)C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000808771936 593287099 /nfs/dbraw/zinc/28/70/99/593287099.db2.gz AVVKAANJAOQMOO-SECBINFHSA-N 1 1 340.767 1.384 20 5 EDBDMO CC(C)S(=O)(=O)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000809790489 593359206 /nfs/dbraw/zinc/35/92/06/593359206.db2.gz HOKNBZJTBDTDJV-UHFFFAOYSA-N 1 1 344.389 1.279 20 5 EDBDMO C[C@@]1(O)CCC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000840062953 593454150 /nfs/dbraw/zinc/45/41/50/593454150.db2.gz MEADJBDACSVNRO-IAGOWNOFSA-N 1 1 349.387 1.726 20 5 EDBDMO C[C@@]1(O)CCC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000840062953 593454151 /nfs/dbraw/zinc/45/41/51/593454151.db2.gz MEADJBDACSVNRO-IAGOWNOFSA-N 1 1 349.387 1.726 20 5 EDBDMO NC(=O)C[NH+]1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000840240336 593486614 /nfs/dbraw/zinc/48/66/14/593486614.db2.gz IOLVQDHPTOHFET-UHFFFAOYSA-N 1 1 329.360 1.505 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1F ZINC000813740890 593552571 /nfs/dbraw/zinc/55/25/71/593552571.db2.gz KLPGEEYHFQDKNO-GWCFXTLKSA-N 1 1 343.380 1.367 20 5 EDBDMO CC[NH+]1CCN(c2ccc(C(=O)O[C@@H](C)C[N+](=O)[O-])cc2F)CC1 ZINC000814038604 593570003 /nfs/dbraw/zinc/57/00/03/593570003.db2.gz FDFLTCMPBXLZIJ-LBPRGKRZSA-N 1 1 339.367 1.790 20 5 EDBDMO C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819264907 593747686 /nfs/dbraw/zinc/74/76/86/593747686.db2.gz IFUVQBGEJDFYDM-YOEHRIQHSA-N 1 1 337.420 1.719 20 5 EDBDMO C[C@H]1CN(CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819264907 593747687 /nfs/dbraw/zinc/74/76/87/593747687.db2.gz IFUVQBGEJDFYDM-YOEHRIQHSA-N 1 1 337.420 1.719 20 5 EDBDMO C[C@H]1C[N@H+](CCCNC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819264907 593747688 /nfs/dbraw/zinc/74/76/88/593747688.db2.gz IFUVQBGEJDFYDM-YOEHRIQHSA-N 1 1 337.420 1.719 20 5 EDBDMO C[C@H]1C[N@@H+](CCCNC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819264907 593747689 /nfs/dbraw/zinc/74/76/89/593747689.db2.gz IFUVQBGEJDFYDM-YOEHRIQHSA-N 1 1 337.420 1.719 20 5 EDBDMO Cn1c(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC000820071103 593788482 /nfs/dbraw/zinc/78/84/82/593788482.db2.gz VKZZCLXUYIZWMQ-HALDLXJZSA-N 1 1 340.383 1.794 20 5 EDBDMO C[C@@H]1[C@H](C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000825726739 594232506 /nfs/dbraw/zinc/23/25/06/594232506.db2.gz ACLBPFRSNHAVCE-BXKDBHETSA-N 1 1 330.348 1.659 20 5 EDBDMO C[C@@H]1[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)CC[N@@H+]1C ZINC000825726739 594232509 /nfs/dbraw/zinc/23/25/09/594232509.db2.gz ACLBPFRSNHAVCE-BXKDBHETSA-N 1 1 330.348 1.659 20 5 EDBDMO C[C@@H]1[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)CC[N@H+]1C ZINC000825726739 594232512 /nfs/dbraw/zinc/23/25/12/594232512.db2.gz ACLBPFRSNHAVCE-BXKDBHETSA-N 1 1 330.348 1.659 20 5 EDBDMO Cc1cc(Cl)c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000828505371 594438983 /nfs/dbraw/zinc/43/89/83/594438983.db2.gz OXBRRZSRLBTXEG-AWEZNQCLSA-N 1 1 327.768 1.353 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(c3cccc(F)n3)CC2)cc1 ZINC000831486152 594641210 /nfs/dbraw/zinc/64/12/10/594641210.db2.gz NMYDAJIAUCEVES-HNNXBMFYSA-N 1 1 346.362 1.985 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCC3(C2)OCCO3)cccc1[N+](=O)[O-] ZINC000104083098 594835243 /nfs/dbraw/zinc/83/52/43/594835243.db2.gz RZUKFIJEOWBFSM-UHFFFAOYSA-N 1 1 335.360 1.681 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1F ZINC000834656871 595184907 /nfs/dbraw/zinc/18/49/07/595184907.db2.gz PLFMROAGKXJXPA-AOOOYVTPSA-N 1 1 325.315 1.815 20 5 EDBDMO O=C1C[C@H]([N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000844274040 595314981 /nfs/dbraw/zinc/31/49/81/595314981.db2.gz MLPNIFGLFNAYMM-TUAOUCFPSA-N 1 1 337.282 1.424 20 5 EDBDMO O=C1C[C@H]([N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000844274040 595314983 /nfs/dbraw/zinc/31/49/83/595314983.db2.gz MLPNIFGLFNAYMM-TUAOUCFPSA-N 1 1 337.282 1.424 20 5 EDBDMO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000853232221 595714673 /nfs/dbraw/zinc/71/46/73/595714673.db2.gz WIXHOUDOKVQRLU-LLVKDONJSA-N 1 1 336.348 1.952 20 5 EDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853588552 595817519 /nfs/dbraw/zinc/81/75/19/595817519.db2.gz FCWWUFBVPZDGBT-DCGLDWPTSA-N 1 1 347.371 1.458 20 5 EDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853588552 595817521 /nfs/dbraw/zinc/81/75/21/595817521.db2.gz FCWWUFBVPZDGBT-DCGLDWPTSA-N 1 1 347.371 1.458 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000851821439 595935718 /nfs/dbraw/zinc/93/57/18/595935718.db2.gz RPRDOCQVRPJIBU-LLVKDONJSA-N 1 1 343.405 1.366 20 5 EDBDMO COc1cccc(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@H+]2C)c1[N+](=O)[O-] ZINC000861354219 595960256 /nfs/dbraw/zinc/96/02/56/595960256.db2.gz XZXUUFNCTDSZBI-BDJLRTHQSA-N 1 1 338.360 1.869 20 5 EDBDMO O=C1CCC2=C(CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)N1 ZINC000852298047 596115409 /nfs/dbraw/zinc/11/54/09/596115409.db2.gz UJCLRBQNVAXNQF-CYBMUJFWSA-N 1 1 347.371 1.204 20 5 EDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC([NH+]2CCOCC2)C1 ZINC000862103782 596238625 /nfs/dbraw/zinc/23/86/25/596238625.db2.gz SKDUHWLPIUKUBX-ZZXKWVIFSA-N 1 1 331.372 1.587 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@](C)(N)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000870907050 596398993 /nfs/dbraw/zinc/39/89/93/596398993.db2.gz PTENXPVMBNDJIQ-RPVQJOFSSA-N 1 1 346.431 1.711 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867808691 596561314 /nfs/dbraw/zinc/56/13/14/596561314.db2.gz OCCBJTSKTMBVLR-RYUDHWBXSA-N 1 1 325.390 1.310 20 5 EDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000869780693 596632122 /nfs/dbraw/zinc/63/21/22/596632122.db2.gz PBRDPDBCCLBABG-AWEZNQCLSA-N 1 1 349.431 1.834 20 5 EDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000869785944 596637149 /nfs/dbraw/zinc/63/71/49/596637149.db2.gz LOXFUDDQGNPENX-JTQLQIEISA-N 1 1 341.795 1.823 20 5 EDBDMO O=C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000872320748 596880939 /nfs/dbraw/zinc/88/09/39/596880939.db2.gz KNLZMXFFSMVEAD-AOOOYVTPSA-N 1 1 325.752 1.765 20 5 EDBDMO O=C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000872320748 596880940 /nfs/dbraw/zinc/88/09/40/596880940.db2.gz KNLZMXFFSMVEAD-AOOOYVTPSA-N 1 1 325.752 1.765 20 5 EDBDMO Cc1nn(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000872723645 597046270 /nfs/dbraw/zinc/04/62/70/597046270.db2.gz NJSNUSGRCNUXNP-DOMZBBRYSA-N 1 1 330.392 1.631 20 5 EDBDMO C[C@]([NH3+])(C(=O)N1CC[C@@]2(C1)CCCOC2)c1cccc([N+](=O)[O-])c1 ZINC000876971515 597402126 /nfs/dbraw/zinc/40/21/26/597402126.db2.gz AUDJIWLNDPIGJK-IAGOWNOFSA-N 1 1 333.388 1.798 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877743023 597552270 /nfs/dbraw/zinc/55/22/70/597552270.db2.gz SVSPZZZOGOBWOY-HIFRSBDPSA-N 1 1 333.388 1.907 20 5 EDBDMO COc1cccc([C@H]2C[N@H+](CCn3c(C)ncc3[N+](=O)[O-])CCN2)c1 ZINC000879522737 597616281 /nfs/dbraw/zinc/61/62/81/597616281.db2.gz LKFWIOUKFCAVID-MRXNPFEDSA-N 1 1 345.403 1.755 20 5 EDBDMO COc1cccc([C@H]2C[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])CCN2)c1 ZINC000879522737 597616282 /nfs/dbraw/zinc/61/62/82/597616282.db2.gz LKFWIOUKFCAVID-MRXNPFEDSA-N 1 1 345.403 1.755 20 5 EDBDMO CC1(C)C[C@@H](O)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000879620635 597660959 /nfs/dbraw/zinc/66/09/59/597660959.db2.gz 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CC(C)[C@H]1C[N@@H+](C)CCN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000153621168 695924316 /nfs/dbraw/zinc/92/43/16/695924316.db2.gz VBOLXZVBJIXYCF-CQSZACIVSA-N 1 1 346.387 1.420 20 5 EDBDMO Cc1[nH]c(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000917228534 696976887 /nfs/dbraw/zinc/97/68/87/696976887.db2.gz WOFMUFUZHOMRPU-UHFFFAOYSA-N 1 1 327.138 1.907 20 5 EDBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000918581335 697184104 /nfs/dbraw/zinc/18/41/04/697184104.db2.gz NFOHPDUPBAGQOL-GJZGRUSLSA-N 1 1 343.387 1.688 20 5 EDBDMO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000921552909 703493099 /nfs/dbraw/zinc/49/30/99/703493099.db2.gz GKOHXHISTOFRCO-XUJVJEKNSA-N 1 1 336.392 1.674 20 5 EDBDMO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000921552909 703493102 /nfs/dbraw/zinc/49/31/02/703493102.db2.gz GKOHXHISTOFRCO-XUJVJEKNSA-N 1 1 336.392 1.674 20 5 EDBDMO Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)co1 ZINC000946589236 704157375 /nfs/dbraw/zinc/15/73/75/704157375.db2.gz NAUKKAPCPSKINW-OCVGTWLNSA-N 1 1 348.403 1.319 20 5 EDBDMO Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)co1 ZINC000946589236 704157379 /nfs/dbraw/zinc/15/73/79/704157379.db2.gz NAUKKAPCPSKINW-OCVGTWLNSA-N 1 1 348.403 1.319 20 5 EDBDMO Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)co1 ZINC000946589236 704157382 /nfs/dbraw/zinc/15/73/82/704157382.db2.gz NAUKKAPCPSKINW-OCVGTWLNSA-N 1 1 348.403 1.319 20 5 EDBDMO Cc1cccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000997767533 704670994 /nfs/dbraw/zinc/67/09/94/704670994.db2.gz HBJVDCZTDABJME-IAGOWNOFSA-N 1 1 331.416 1.988 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000997771454 704672900 /nfs/dbraw/zinc/67/29/00/704672900.db2.gz HQUKCRXXNIODMQ-HUUCEWRRSA-N 1 1 336.367 1.214 20 5 EDBDMO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001034643344 710319254 /nfs/dbraw/zinc/31/92/54/710319254.db2.gz MVSDCOHYIAQWRU-KBUPBQIOSA-N 1 1 348.403 1.272 20 5 EDBDMO Cc1csc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001034643420 710319337 /nfs/dbraw/zinc/31/93/37/710319337.db2.gz OTQVTWZEUZAUCR-FDYHWXHSSA-N 1 1 338.433 1.634 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@H+](C)C(C)C)cc([N+](=O)[O-])c1F ZINC000154300391 711600346 /nfs/dbraw/zinc/60/03/46/711600346.db2.gz QMNXUSRRFXTOKF-UHFFFAOYSA-N 1 1 333.385 1.661 20 5 EDBDMO C[C@@H](c1cccnc1)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174864369 231326948 /nfs/dbraw/zinc/32/69/48/231326948.db2.gz OYLBRQQLOIONDU-AWEZNQCLSA-N 1 1 330.392 1.565 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000175109333 231386211 /nfs/dbraw/zinc/38/62/11/231386211.db2.gz RGPPLUPBEQHXGO-CYBMUJFWSA-N 1 1 341.433 1.832 20 5 EDBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000559258780 306252336 /nfs/dbraw/zinc/25/23/36/306252336.db2.gz XGLODTXLUIVTOQ-UHFFFAOYSA-N 1 1 348.403 1.186 20 5 EDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153130378 529786545 /nfs/dbraw/zinc/78/65/45/529786545.db2.gz WUCNRPDSEWUEMM-JKSUJKDBSA-N 1 1 346.387 1.006 20 5 EDBDMO CCOC(=O)c1cc(C(=O)NCC[N@@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000101955338 219175774 /nfs/dbraw/zinc/17/57/74/219175774.db2.gz ODHWSSATHNLQGT-UHFFFAOYSA-N 1 1 337.376 1.842 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC(N)=O)CC(C)C ZINC000067962926 215261172 /nfs/dbraw/zinc/26/11/72/215261172.db2.gz CAYXSIZLFSFBJA-UHFFFAOYSA-N 1 1 336.392 1.675 20 5 EDBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])o1 ZINC000183406495 235054116 /nfs/dbraw/zinc/05/41/16/235054116.db2.gz UTIVKMABBQMYNI-CQSZACIVSA-N 1 1 345.355 1.684 20 5 EDBDMO [NH3+]CC(F)(F)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000190204074 238293833 /nfs/dbraw/zinc/29/38/33/238293833.db2.gz ZOSVGRGMDBBEPA-UHFFFAOYSA-N 1 1 328.319 1.519 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000072639607 216287186 /nfs/dbraw/zinc/28/71/86/216287186.db2.gz IGDBLYKREDENLU-QWHCGFSZSA-N 1 1 346.387 1.537 20 5 EDBDMO COC(=O)[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000414483951 304118619 /nfs/dbraw/zinc/11/86/19/304118619.db2.gz GCSUUOQNLQJWNP-ZQMJAJRESA-N 1 1 333.388 1.645 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000223863686 139021226 /nfs/dbraw/zinc/02/12/26/139021226.db2.gz JVIGKDKCIKJYIU-JTQLQIEISA-N 1 1 344.213 1.410 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000111263956 220126254 /nfs/dbraw/zinc/12/62/54/220126254.db2.gz VKBYOZBXQPOQON-LBPRGKRZSA-N 1 1 345.359 1.603 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000111263956 220126256 /nfs/dbraw/zinc/12/62/56/220126256.db2.gz VKBYOZBXQPOQON-LBPRGKRZSA-N 1 1 345.359 1.603 20 5 EDBDMO C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000247072184 139134206 /nfs/dbraw/zinc/13/42/06/139134206.db2.gz WQBGAQPDRCKBMD-IJEWVQPXSA-N 1 1 337.420 1.749 20 5 EDBDMO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000247072184 139134211 /nfs/dbraw/zinc/13/42/11/139134211.db2.gz WQBGAQPDRCKBMD-IJEWVQPXSA-N 1 1 337.420 1.749 20 5 EDBDMO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000247072184 139134212 /nfs/dbraw/zinc/13/42/12/139134212.db2.gz WQBGAQPDRCKBMD-IJEWVQPXSA-N 1 1 337.420 1.749 20 5 EDBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261704944 139219171 /nfs/dbraw/zinc/21/91/71/139219171.db2.gz DEBUGXLSDVUGNI-HNNXBMFYSA-N 1 1 330.319 1.916 20 5 EDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261927233 139237692 /nfs/dbraw/zinc/23/76/92/139237692.db2.gz JGHSKKFSNLAUAZ-ZDUSSCGKSA-N 1 1 333.323 1.104 20 5 EDBDMO C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181647616 533099610 /nfs/dbraw/zinc/09/96/10/533099610.db2.gz HDLRBUXARKGQFB-OLZOCXBDSA-N 1 1 335.408 1.561 20 5 EDBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493550474 255215316 /nfs/dbraw/zinc/21/53/16/255215316.db2.gz IECLKHBIOCTHJO-PODYEWJSSA-N 1 1 332.404 1.360 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000415788954 304271310 /nfs/dbraw/zinc/27/13/10/304271310.db2.gz RXYDODBPIJWIKX-OAHLLOKOSA-N 1 1 338.339 1.002 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)ccc1[N+](=O)[O-] ZINC000496273935 255373238 /nfs/dbraw/zinc/37/32/38/255373238.db2.gz KQYMRTKGRZXNNG-CYBMUJFWSA-N 1 1 335.360 1.878 20 5 EDBDMO NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866455 221199717 /nfs/dbraw/zinc/19/97/17/221199717.db2.gz ODMKZYMIJYSOGL-XJKSGUPXSA-N 1 1 341.371 1.703 20 5 EDBDMO NC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866455 221199719 /nfs/dbraw/zinc/19/97/19/221199719.db2.gz ODMKZYMIJYSOGL-XJKSGUPXSA-N 1 1 341.371 1.703 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000119312055 221291901 /nfs/dbraw/zinc/29/19/01/221291901.db2.gz SRCBIWLCUCVRAU-SWLSCSKDSA-N 1 1 348.403 1.640 20 5 EDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000347371070 533382866 /nfs/dbraw/zinc/38/28/66/533382866.db2.gz IYYJPIKIBHKLCU-JOHMGYAOSA-N 1 1 325.390 1.361 20 5 EDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000347371070 533382867 /nfs/dbraw/zinc/38/28/67/533382867.db2.gz IYYJPIKIBHKLCU-JOHMGYAOSA-N 1 1 325.390 1.361 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000571754984 306573395 /nfs/dbraw/zinc/57/33/95/306573395.db2.gz DGQXMFCRTFOGSR-OAHLLOKOSA-N 1 1 327.344 1.480 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(OC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000571762206 306574043 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ZZOADDZZHRXOBT-UONOGXRCSA-N 1 1 347.371 1.738 20 5 EDBDMO Cc1noc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C2CCOCC2)n1 ZINC000345841355 143138840 /nfs/dbraw/zinc/13/88/40/143138840.db2.gz USBUBVKAKYYZNO-ZDUSSCGKSA-N 1 1 336.352 1.240 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000346290378 143187588 /nfs/dbraw/zinc/18/75/88/143187588.db2.gz CNWDGUHKOOFDGD-INIZCTEOSA-N 1 1 339.342 1.970 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346460032 143206989 /nfs/dbraw/zinc/20/69/89/143206989.db2.gz RIXXWTREAQHHSM-AWEZNQCLSA-N 1 1 346.387 1.538 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000346638362 143224897 /nfs/dbraw/zinc/22/48/97/143224897.db2.gz IXBJFYLEHMCCJI-JTNHKYCSSA-N 1 1 335.360 1.805 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000346638362 143224898 /nfs/dbraw/zinc/22/48/98/143224898.db2.gz IXBJFYLEHMCCJI-JTNHKYCSSA-N 1 1 335.360 1.805 20 5 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RDEDNCMDNYCMAV-UHFFFAOYSA-N 1 1 330.344 1.671 20 5 EDBDMO Nc1c(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)cc(F)cc1[N+](=O)[O-] ZINC000275369708 268330944 /nfs/dbraw/zinc/33/09/44/268330944.db2.gz PCMGBOUONJWLLX-SECBINFHSA-N 1 1 333.323 1.505 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000275444288 268343691 /nfs/dbraw/zinc/34/36/91/268343691.db2.gz WWAIKRSHZBJIHA-VHSXEESVSA-N 1 1 325.394 1.195 20 5 EDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CC[N@H+]1CC(C)(C)O ZINC000275500683 268351872 /nfs/dbraw/zinc/35/18/72/268351872.db2.gz LFIRQFRYELIDLK-SNVBAGLBSA-N 1 1 326.372 1.598 20 5 EDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277430096 273196283 /nfs/dbraw/zinc/19/62/83/273196283.db2.gz BZPAHCHSKCAMNL-CYBMUJFWSA-N 1 1 339.417 1.890 20 5 EDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277430096 273196284 /nfs/dbraw/zinc/19/62/84/273196284.db2.gz BZPAHCHSKCAMNL-CYBMUJFWSA-N 1 1 339.417 1.890 20 5 EDBDMO COCCCn1nccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000282846344 273727403 /nfs/dbraw/zinc/72/74/03/273727403.db2.gz SFTLAKZLXMHFMH-UHFFFAOYSA-N 1 1 344.375 1.994 20 5 EDBDMO COc1ccc([C@@H](O)[C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000378251312 274117140 /nfs/dbraw/zinc/11/71/40/274117140.db2.gz VAMUAZLMNIDLRH-DOTOQJQBSA-N 1 1 346.387 1.998 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000058561789 274285768 /nfs/dbraw/zinc/28/57/68/274285768.db2.gz IYVGFBVWAUBZDF-GFCCVEGCSA-N 1 1 327.406 1.748 20 5 EDBDMO O=C1NC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]12 ZINC000368247186 275024261 /nfs/dbraw/zinc/02/42/61/275024261.db2.gz YWBXREAVDWYBFR-JSGCOSHPSA-N 1 1 333.344 1.029 20 5 EDBDMO O=C1NC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]12 ZINC000368247186 275024262 /nfs/dbraw/zinc/02/42/62/275024262.db2.gz YWBXREAVDWYBFR-JSGCOSHPSA-N 1 1 333.344 1.029 20 5 EDBDMO O=C1[C@@H]([N@@H+]2CC[C@H](n3cccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 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5 EDBDMO C[C@H](O)C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000304034858 303748560 /nfs/dbraw/zinc/74/85/60/303748560.db2.gz HHVHZPQOFZVHLQ-LBPRGKRZSA-N 1 1 333.388 1.577 20 5 EDBDMO CNc1ccc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000391617046 303851096 /nfs/dbraw/zinc/85/10/96/303851096.db2.gz LNCNPECDFKMILF-UHFFFAOYSA-N 1 1 336.392 1.165 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000439883283 305203197 /nfs/dbraw/zinc/20/31/97/305203197.db2.gz SUXUGDDAOOHNOK-HNNXBMFYSA-N 1 1 338.364 1.182 20 5 EDBDMO CC(C)c1ncc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000440484682 305207657 /nfs/dbraw/zinc/20/76/57/305207657.db2.gz KZMIFCMZFLMJQS-CQSZACIVSA-N 1 1 334.380 1.198 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000444546613 305250279 /nfs/dbraw/zinc/25/02/79/305250279.db2.gz HNVIEWSGCDKNLA-LLVKDONJSA-N 1 1 339.367 1.651 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000444546613 305250280 /nfs/dbraw/zinc/25/02/80/305250280.db2.gz HNVIEWSGCDKNLA-LLVKDONJSA-N 1 1 339.367 1.651 20 5 EDBDMO NC(=O)NC(=O)CCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549688 305352780 /nfs/dbraw/zinc/35/27/80/305352780.db2.gz QEBPOCGQWRCCNN-CYBMUJFWSA-N 1 1 334.376 1.749 20 5 EDBDMO CN1CCN(C(=O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548716 305352828 /nfs/dbraw/zinc/35/28/28/305352828.db2.gz NWKQAICAVHLAJL-INIZCTEOSA-N 1 1 346.431 1.548 20 5 EDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451634254 305357770 /nfs/dbraw/zinc/35/77/70/305357770.db2.gz OIUZONCAWAFJNK-BETUJISGSA-N 1 1 333.344 1.086 20 5 EDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451634254 305357771 /nfs/dbraw/zinc/35/77/71/305357771.db2.gz OIUZONCAWAFJNK-BETUJISGSA-N 1 1 333.344 1.086 20 5 EDBDMO Cc1nn(C)c(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000456983846 305479314 /nfs/dbraw/zinc/47/93/14/305479314.db2.gz HOYXIBPLPJOKMG-ZDUSSCGKSA-N 1 1 329.360 1.423 20 5 EDBDMO C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C2)C1 ZINC000555407216 306201999 /nfs/dbraw/zinc/20/19/99/306201999.db2.gz WSFNPQWJTKWSPA-AWEZNQCLSA-N 1 1 340.405 1.096 20 5 EDBDMO C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046479156 441111000 /nfs/dbraw/zinc/11/10/00/441111000.db2.gz PPKBXVJSRYJOQA-SDDRHHMPSA-N 1 1 336.392 1.603 20 5 EDBDMO C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046479156 441111004 /nfs/dbraw/zinc/11/10/04/441111004.db2.gz PPKBXVJSRYJOQA-SDDRHHMPSA-N 1 1 336.392 1.603 20 5 EDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000073995071 441379506 /nfs/dbraw/zinc/37/95/06/441379506.db2.gz CWQDKFRUHFJHMZ-CMPLNLGQSA-N 1 1 329.360 1.780 20 5 EDBDMO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000073995071 441379509 /nfs/dbraw/zinc/37/95/09/441379509.db2.gz CWQDKFRUHFJHMZ-CMPLNLGQSA-N 1 1 329.360 1.780 20 5 EDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000073995071 441379512 /nfs/dbraw/zinc/37/95/12/441379512.db2.gz CWQDKFRUHFJHMZ-CMPLNLGQSA-N 1 1 329.360 1.780 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1CCOCC1 ZINC000074290160 441416797 /nfs/dbraw/zinc/41/67/97/441416797.db2.gz MBVHIHVVUQFQSR-CYBMUJFWSA-N 1 1 336.392 1.186 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCN1CCOCC1 ZINC000074290160 441416800 /nfs/dbraw/zinc/41/68/00/441416800.db2.gz MBVHIHVVUQFQSR-CYBMUJFWSA-N 1 1 336.392 1.186 20 5 EDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCOC1 ZINC000107689858 441426046 /nfs/dbraw/zinc/42/60/46/441426046.db2.gz ZRNVJOUMNCCCFA-CYBMUJFWSA-N 1 1 333.388 1.842 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000107889189 441433016 /nfs/dbraw/zinc/43/30/16/441433016.db2.gz WBWBFCAGUKZRSM-ZDUSSCGKSA-N 1 1 343.387 1.852 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000052193211 441440639 /nfs/dbraw/zinc/44/06/39/441440639.db2.gz FGFHLFHBHHUFQT-UHFFFAOYSA-N 1 1 345.359 1.036 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108406624 441452228 /nfs/dbraw/zinc/45/22/28/441452228.db2.gz YFVIQQLRDRDDAR-LLVKDONJSA-N 1 1 343.405 1.224 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000089265345 441532127 /nfs/dbraw/zinc/53/21/27/441532127.db2.gz HBHDMCILVLLNAY-LLVKDONJSA-N 1 1 325.340 1.808 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000089265345 441532129 /nfs/dbraw/zinc/53/21/29/441532129.db2.gz HBHDMCILVLLNAY-LLVKDONJSA-N 1 1 325.340 1.808 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000066579411 441547297 /nfs/dbraw/zinc/54/72/97/441547297.db2.gz QKUZBTGHYBUPIY-UHFFFAOYSA-N 1 1 327.406 1.620 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000066579411 441547299 /nfs/dbraw/zinc/54/72/99/441547299.db2.gz QKUZBTGHYBUPIY-UHFFFAOYSA-N 1 1 327.406 1.620 20 5 EDBDMO COC(=O)c1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000113230664 441590976 /nfs/dbraw/zinc/59/09/76/441590976.db2.gz FLZGHEOZELFKOM-SMDDNHRTSA-N 1 1 347.371 1.690 20 5 EDBDMO CCN1CC[NH+](CCCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000041443149 441653882 /nfs/dbraw/zinc/65/38/82/441653882.db2.gz PCGJDQDUGYYYOB-UHFFFAOYSA-N 1 1 334.420 1.281 20 5 EDBDMO CCN1CCN([C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000114562995 441667936 /nfs/dbraw/zinc/66/79/36/441667936.db2.gz GUCZJJQUTLLFTE-SFHVURJKSA-N 1 1 332.448 1.849 20 5 EDBDMO CCN1CCN([C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000114562995 441667939 /nfs/dbraw/zinc/66/79/39/441667939.db2.gz GUCZJJQUTLLFTE-SFHVURJKSA-N 1 1 332.448 1.849 20 5 EDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000068200600 441752077 /nfs/dbraw/zinc/75/20/77/441752077.db2.gz HKXHSNGODIDBOU-CQSZACIVSA-N 1 1 348.403 1.330 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115585387 441761444 /nfs/dbraw/zinc/76/14/44/441761444.db2.gz AZUUPLHBKIYJAQ-CYBMUJFWSA-N 1 1 341.433 1.866 20 5 EDBDMO C[NH+](C)CCN1CCC(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173724331 441830285 /nfs/dbraw/zinc/83/02/85/441830285.db2.gz FGPLVXKOMITMQX-UHFFFAOYSA-N 1 1 348.447 1.527 20 5 EDBDMO Cc1c(CC(=O)N(C)CCC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000122117159 441835505 /nfs/dbraw/zinc/83/55/05/441835505.db2.gz BDQLAMQHMGDQLL-UHFFFAOYSA-N 1 1 348.447 1.542 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000069129373 441895922 /nfs/dbraw/zinc/89/59/22/441895922.db2.gz WSNCAOAHVGSVKA-SNVBAGLBSA-N 1 1 343.405 1.364 20 5 EDBDMO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C[NH+]1CCOCC1 ZINC000150727109 441938400 /nfs/dbraw/zinc/93/84/00/441938400.db2.gz WDQDUCMQNYAAER-JTQLQIEISA-N 1 1 340.355 1.014 20 5 EDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000175280060 442031724 /nfs/dbraw/zinc/03/17/24/442031724.db2.gz KDWVTHLVAMAEFF-AWEZNQCLSA-N 1 1 336.392 1.824 20 5 EDBDMO Cc1ccc([C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)[NH+]2CCCC2)o1 ZINC000165963669 442212785 /nfs/dbraw/zinc/21/27/85/442212785.db2.gz XJTWHXJVZAQQBG-GFCCVEGCSA-N 1 1 347.375 1.797 20 5 EDBDMO CNC(=O)[C@H](C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000176389585 442217148 /nfs/dbraw/zinc/21/71/48/442217148.db2.gz SPXRFNFEEFYNCZ-GFCCVEGCSA-N 1 1 336.392 1.546 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000153237530 442269796 /nfs/dbraw/zinc/26/97/96/442269796.db2.gz HYOAKNYYMFKDRS-NWDGAFQWSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000153237530 442269799 /nfs/dbraw/zinc/26/97/99/442269799.db2.gz HYOAKNYYMFKDRS-NWDGAFQWSA-N 1 1 337.376 1.777 20 5 EDBDMO CCO[C@H](CC[NH+](C)C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000176901244 442270185 /nfs/dbraw/zinc/27/01/85/442270185.db2.gz JINKZDUGLMSYPW-GFCCVEGCSA-N 1 1 349.391 1.558 20 5 EDBDMO Cc1nn(CCC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000177073446 442294147 /nfs/dbraw/zinc/29/41/47/442294147.db2.gz CGYPAUXXISUWSU-MFKMUULPSA-N 1 1 335.408 1.540 20 5 EDBDMO CCOC(=O)c1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000154861466 442361273 /nfs/dbraw/zinc/36/12/73/442361273.db2.gz GVUMUBAIIUSIDG-NHYWBVRUSA-N 1 1 337.376 1.903 20 5 EDBDMO CCOC(=O)c1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000154861466 442361277 /nfs/dbraw/zinc/36/12/77/442361277.db2.gz GVUMUBAIIUSIDG-NHYWBVRUSA-N 1 1 337.376 1.903 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000133802858 442435043 /nfs/dbraw/zinc/43/50/43/442435043.db2.gz SNHPFDOVQOTLER-CYBMUJFWSA-N 1 1 336.392 1.265 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+](CC(N)=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000133939422 442441496 /nfs/dbraw/zinc/44/14/96/442441496.db2.gz LVJVYCXJRFQBJL-UHFFFAOYSA-N 1 1 336.392 1.818 20 5 EDBDMO CCOC(=O)N1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178858609 442504595 /nfs/dbraw/zinc/50/45/95/442504595.db2.gz POIQZDMPGQSMCA-HNNXBMFYSA-N 1 1 337.376 1.792 20 5 EDBDMO CCOC(=O)N1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178858609 442504600 /nfs/dbraw/zinc/50/46/00/442504600.db2.gz POIQZDMPGQSMCA-HNNXBMFYSA-N 1 1 337.376 1.792 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000191863375 442526624 /nfs/dbraw/zinc/52/66/24/442526624.db2.gz POQKEMWCZBGMNV-TZMCWYRMSA-N 1 1 347.419 1.900 20 5 EDBDMO CSc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000156859570 442528248 /nfs/dbraw/zinc/52/82/48/442528248.db2.gz NMSGPKKMAJKRJQ-GWCFXTLKSA-N 1 1 339.417 1.766 20 5 EDBDMO CSc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000156859570 442528252 /nfs/dbraw/zinc/52/82/52/442528252.db2.gz NMSGPKKMAJKRJQ-GWCFXTLKSA-N 1 1 339.417 1.766 20 5 EDBDMO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000135389474 442590161 /nfs/dbraw/zinc/59/01/61/442590161.db2.gz DCZFRHHTHQVORE-CQSZACIVSA-N 1 1 342.779 1.994 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180476241 442607426 /nfs/dbraw/zinc/60/74/26/442607426.db2.gz ASQANUIGCCBMEA-LLVKDONJSA-N 1 1 335.360 1.928 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000192851228 442692404 /nfs/dbraw/zinc/69/24/04/442692404.db2.gz LEZDFXNFOAOZNB-CQSZACIVSA-N 1 1 327.406 1.499 20 5 EDBDMO COc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000181380231 442694031 /nfs/dbraw/zinc/69/40/31/442694031.db2.gz OSDHGRXNNGAXIO-CQSZACIVSA-N 1 1 345.359 1.124 20 5 EDBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1C ZINC000182146429 442740002 /nfs/dbraw/zinc/74/00/02/442740002.db2.gz YKEDJJDJWDVHJL-PWSUYJOCSA-N 1 1 335.360 1.878 20 5 EDBDMO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193578988 442755786 /nfs/dbraw/zinc/75/57/86/442755786.db2.gz WKPJEGXZTGQLBW-GFCCVEGCSA-N 1 1 336.348 1.851 20 5 EDBDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193578988 442755788 /nfs/dbraw/zinc/75/57/88/442755788.db2.gz WKPJEGXZTGQLBW-GFCCVEGCSA-N 1 1 336.348 1.851 20 5 EDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CC(C)(C)O ZINC000188685998 442788047 /nfs/dbraw/zinc/78/80/47/442788047.db2.gz SEVKRWZNMQAHQQ-NSHDSACASA-N 1 1 339.367 1.651 20 5 EDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CC(C)(C)O ZINC000188685998 442788052 /nfs/dbraw/zinc/78/80/52/442788052.db2.gz SEVKRWZNMQAHQQ-NSHDSACASA-N 1 1 339.367 1.651 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246709306 442806386 /nfs/dbraw/zinc/80/63/86/442806386.db2.gz ZVXBMFBVFMSVFD-OCCSQVGLSA-N 1 1 341.433 1.864 20 5 EDBDMO COc1ccc(CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268143701 442867210 /nfs/dbraw/zinc/86/72/10/442867210.db2.gz RTFCLHRKHSVHNL-RISCZKNCSA-N 1 1 348.403 1.885 20 5 EDBDMO COc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000265940848 442977072 /nfs/dbraw/zinc/97/70/72/442977072.db2.gz JEDUDDQLRGGGGA-AAEUAGOBSA-N 1 1 349.387 1.921 20 5 EDBDMO CC[C@@]1(CO)CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000189673692 442992787 /nfs/dbraw/zinc/99/27/87/442992787.db2.gz VNLJLMOWTAHNIJ-KRWDZBQOSA-N 1 1 333.388 1.721 20 5 EDBDMO COC(=O)c1cc(NC[C@H]2C[N@@H+](C)CCN2C)cc(C)c1[N+](=O)[O-] ZINC000268492272 443008416 /nfs/dbraw/zinc/00/84/16/443008416.db2.gz OURBHPAMATXEHI-ZDUSSCGKSA-N 1 1 336.392 1.348 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000266292134 443087832 /nfs/dbraw/zinc/08/78/32/443087832.db2.gz ZUYAGBWFUIHCGW-UHFFFAOYSA-N 1 1 338.408 1.116 20 5 EDBDMO C[C@H](O)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)CO ZINC000190894347 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/nfs/dbraw/zinc/14/75/56/445147556.db2.gz GSPOJCFMCFZTKE-GDBMZVCRSA-N 1 1 338.404 1.962 20 5 EDBDMO Cc1sc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000343528590 445239002 /nfs/dbraw/zinc/23/90/02/445239002.db2.gz ALUGBYLIMDEBFQ-WDEREUQCSA-N 1 1 345.446 1.870 20 5 EDBDMO CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000343559419 445244012 /nfs/dbraw/zinc/24/40/12/445244012.db2.gz UNAZQXIOJFVEAD-GJZGRUSLSA-N 1 1 335.404 1.503 20 5 EDBDMO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000343559419 445244014 /nfs/dbraw/zinc/24/40/14/445244014.db2.gz UNAZQXIOJFVEAD-GJZGRUSLSA-N 1 1 335.404 1.503 20 5 EDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000343559419 445244015 /nfs/dbraw/zinc/24/40/15/445244015.db2.gz UNAZQXIOJFVEAD-GJZGRUSLSA-N 1 1 335.404 1.503 20 5 EDBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000348527162 445314801 /nfs/dbraw/zinc/31/48/01/445314801.db2.gz HWGAOOZXKRLWAQ-PWSUYJOCSA-N 1 1 345.359 1.731 20 5 EDBDMO C[C@H]([NH3+])[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000351857517 445344995 /nfs/dbraw/zinc/34/49/95/445344995.db2.gz BZNXDKDXWYSRCV-RYUDHWBXSA-N 1 1 334.376 1.562 20 5 EDBDMO COc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000352017336 445441721 /nfs/dbraw/zinc/44/17/21/445441721.db2.gz FYTODABWIPQUFN-DZGCQCFKSA-N 1 1 335.404 1.898 20 5 EDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000357291276 445529349 /nfs/dbraw/zinc/52/93/49/445529349.db2.gz OKEKWGZMZBYZAB-CYBMUJFWSA-N 1 1 348.403 1.832 20 5 EDBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352893315 445563091 /nfs/dbraw/zinc/56/30/91/445563091.db2.gz NQMSCROCCABLDH-OCCSQVGLSA-N 1 1 345.403 1.766 20 5 EDBDMO COc1ccc(CN2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000353260449 445583726 /nfs/dbraw/zinc/58/37/26/445583726.db2.gz PWUXSXHNQJWHAR-ZDUSSCGKSA-N 1 1 337.420 1.880 20 5 EDBDMO Cn1ccnc1[C@@H]([NH2+]CCCn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000353679952 445704866 /nfs/dbraw/zinc/70/48/66/445704866.db2.gz IFPNDKNBXZSBNJ-HNNXBMFYSA-N 1 1 341.375 1.689 20 5 EDBDMO COC(=O)COc1ccc(CNC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000353733620 445730142 /nfs/dbraw/zinc/73/01/42/445730142.db2.gz AOIGZWYOUCDKQB-LLVKDONJSA-N 1 1 325.365 1.186 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000361570792 445825033 /nfs/dbraw/zinc/82/50/33/445825033.db2.gz YEHSDOJYCBDGJM-OAHLLOKOSA-N 1 1 344.371 1.405 20 5 EDBDMO O=C(CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363415451 445795039 /nfs/dbraw/zinc/79/50/39/445795039.db2.gz WNDOQFUYLUZLDP-IJEWVQPXSA-N 1 1 344.415 1.949 20 5 EDBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H]3CO)o2)c([N+](=O)[O-])c1 ZINC000350257249 445802037 /nfs/dbraw/zinc/80/20/37/445802037.db2.gz AOAIDZKYXFJUMU-NWDGAFQWSA-N 1 1 348.355 1.791 20 5 EDBDMO Cc1c(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000361702075 445885480 /nfs/dbraw/zinc/88/54/80/445885480.db2.gz UFKVFDDOYWRHEY-LSDHHAIUSA-N 1 1 333.388 1.425 20 5 EDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363543744 445852899 /nfs/dbraw/zinc/85/28/99/445852899.db2.gz GRCHZRXHGRQYGQ-CQSZACIVSA-N 1 1 348.403 1.330 20 5 EDBDMO COCCC[N@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000363648625 445863003 /nfs/dbraw/zinc/86/30/03/445863003.db2.gz MZIQMKOZNSDAFL-UHFFFAOYSA-N 1 1 327.406 1.841 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(Sc2nnnn2C[C@@H]2CC[N@H+](C)C2)n1 ZINC000359082871 445932925 /nfs/dbraw/zinc/93/29/25/445932925.db2.gz NIYCFPPWJHCCJW-LLVKDONJSA-N 1 1 349.420 1.696 20 5 EDBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000366142805 446039266 /nfs/dbraw/zinc/03/92/66/446039266.db2.gz HJZZKPZVFKXJHG-UMVBOHGHSA-N 1 1 348.403 1.704 20 5 EDBDMO COc1cc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000584182138 326216447 /nfs/dbraw/zinc/21/64/47/326216447.db2.gz SAKKBZHYWBQNKO-UHFFFAOYSA-N 1 1 331.332 1.289 20 5 EDBDMO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[N@H+]1CCCC[C@H]1C ZINC000354270918 446066926 /nfs/dbraw/zinc/06/69/26/446066926.db2.gz CIMHLIJNCBWSGB-OLZOCXBDSA-N 1 1 336.392 1.136 20 5 EDBDMO CCCCOC[C@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365306902 446136763 /nfs/dbraw/zinc/13/67/63/446136763.db2.gz MZCXFIQAVYAQHI-UKRRQHHQSA-N 1 1 326.397 1.606 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@@H](C)C1 ZINC000356899275 446106716 /nfs/dbraw/zinc/10/67/16/446106716.db2.gz DSGJKJJXFVUKPM-RYUDHWBXSA-N 1 1 346.387 1.603 20 5 EDBDMO Cc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000369409059 446116510 /nfs/dbraw/zinc/11/65/10/446116510.db2.gz ORPLPOXIMRGCMW-CYBMUJFWSA-N 1 1 328.372 1.972 20 5 EDBDMO Cc1cc(N2CC[N@H+]3CCOC[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000369409059 446116514 /nfs/dbraw/zinc/11/65/14/446116514.db2.gz ORPLPOXIMRGCMW-CYBMUJFWSA-N 1 1 328.372 1.972 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C3CCCCCC3)C2)n1 ZINC000362032813 446168392 /nfs/dbraw/zinc/16/83/92/446168392.db2.gz QLSIDHNMNLRSPM-GFCCVEGCSA-N 1 1 335.408 1.855 20 5 EDBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000366398117 446192763 /nfs/dbraw/zinc/19/27/63/446192763.db2.gz HMHCBLQALPSNPG-UHFFFAOYSA-N 1 1 331.332 1.678 20 5 EDBDMO COc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000359355454 446170164 /nfs/dbraw/zinc/17/01/64/446170164.db2.gz XBNUFNVQUGGEIO-LBPRGKRZSA-N 1 1 334.376 1.639 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000359472423 446244492 /nfs/dbraw/zinc/24/44/92/446244492.db2.gz LPDCQFJIRKGLLS-GFCCVEGCSA-N 1 1 338.412 1.119 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000365669815 446293947 /nfs/dbraw/zinc/29/39/47/446293947.db2.gz AOPLGCYGTVUXEU-CVEARBPZSA-N 1 1 348.428 1.942 20 5 EDBDMO Cc1ccc(N2CCC[C@@H]([N@@H+](C)CCn3ccc([N+](=O)[O-])n3)C2)nn1 ZINC000376230654 446392305 /nfs/dbraw/zinc/39/23/05/446392305.db2.gz XQWZQRIUEQZJKV-CQSZACIVSA-N 1 1 345.407 1.491 20 5 EDBDMO Cc1nn(C)c(C(=O)NCc2[nH+]c(C)n3c2CCCC3)c1[N+](=O)[O-] ZINC000367052057 446489949 /nfs/dbraw/zinc/48/99/49/446489949.db2.gz HJPCQVDSWBXEAL-UHFFFAOYSA-N 1 1 332.364 1.408 20 5 EDBDMO C[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)[C@H](c2ccccc2)C1 ZINC000375246378 446669274 /nfs/dbraw/zinc/66/92/74/446669274.db2.gz UAFOTUQYHXWENH-GJZGRUSLSA-N 1 1 341.371 1.400 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1F ZINC000412124693 446873151 /nfs/dbraw/zinc/87/31/51/446873151.db2.gz CMRKNLBNKFBEEK-LLVKDONJSA-N 1 1 339.367 1.838 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1F ZINC000412142557 446877785 /nfs/dbraw/zinc/87/77/85/446877785.db2.gz YBQLGVJEDIJWJK-QWRGUYRKSA-N 1 1 339.367 1.884 20 5 EDBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000375586763 446909352 /nfs/dbraw/zinc/90/93/52/446909352.db2.gz VPJVFHLSHTURPA-LLVKDONJSA-N 1 1 339.421 1.042 20 5 EDBDMO CNc1nc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000454879311 446993931 /nfs/dbraw/zinc/99/39/31/446993931.db2.gz YLAFHETXEOVBCD-SNVBAGLBSA-N 1 1 332.364 1.603 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425215077 447067094 /nfs/dbraw/zinc/06/70/94/447067094.db2.gz LQJKXUMILIVPDA-SWLSCSKDSA-N 1 1 339.417 1.618 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375830854 447087150 /nfs/dbraw/zinc/08/71/50/447087150.db2.gz LJZIJCMBMWVLNZ-HOCLYGCPSA-N 1 1 332.404 1.873 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000619267284 450438671 /nfs/dbraw/zinc/43/86/71/450438671.db2.gz WWUJXELFFGAVHK-AWEZNQCLSA-N 1 1 338.408 1.438 20 5 EDBDMO CN(C(=O)[C@H]1CC1[N+](=O)[O-])C1CC[NH+](CCc2ccncc2)CC1 ZINC000377481087 447154375 /nfs/dbraw/zinc/15/43/75/447154375.db2.gz GTMHPTVACNGPSH-JKSUJKDBSA-N 1 1 332.404 1.212 20 5 EDBDMO COCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413444545 447185251 /nfs/dbraw/zinc/18/52/51/447185251.db2.gz SCZJWWJOBLSMIX-JKSUJKDBSA-N 1 1 333.388 1.489 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2Cn2cncn2)c([N+](=O)[O-])c1 ZINC000372637470 447199689 /nfs/dbraw/zinc/19/96/89/447199689.db2.gz BEDNIPWAWRINAM-CYBMUJFWSA-N 1 1 347.375 1.738 20 5 EDBDMO CNc1nc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455689765 447210233 /nfs/dbraw/zinc/21/02/33/447210233.db2.gz AKUBVBMTCQWPFD-RYUDHWBXSA-N 1 1 333.392 1.730 20 5 EDBDMO CN(C(=O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000425547997 447223217 /nfs/dbraw/zinc/22/32/17/447223217.db2.gz MVOKZFCJFLTTET-LLVKDONJSA-N 1 1 330.348 1.165 20 5 EDBDMO NC(=O)C[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000377603438 447236896 /nfs/dbraw/zinc/23/68/96/447236896.db2.gz FZCKHRHHHHABHG-SNVBAGLBSA-N 1 1 338.339 1.260 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](CO)[C@H]3CCCO3)co2)cc1 ZINC000447914987 447296911 /nfs/dbraw/zinc/29/69/11/447296911.db2.gz LXWRBIDZRJCUAI-LSDHHAIUSA-N 1 1 333.344 1.879 20 5 EDBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000415502796 447484810 /nfs/dbraw/zinc/48/48/10/447484810.db2.gz OAHNNJWLALBDOY-AWEZNQCLSA-N 1 1 347.375 1.023 20 5 EDBDMO O=C1CC[C@@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1 ZINC000450561592 447526172 /nfs/dbraw/zinc/52/61/72/447526172.db2.gz GBOOJXHRAKZGNK-CHWSQXEVSA-N 1 1 333.392 1.392 20 5 EDBDMO COC[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000451928855 447787552 /nfs/dbraw/zinc/78/75/52/447787552.db2.gz OXXAHIPGKFQFSR-BLLLJJGKSA-N 1 1 337.376 1.253 20 5 EDBDMO COC[C@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000451928855 447787554 /nfs/dbraw/zinc/78/75/54/447787554.db2.gz OXXAHIPGKFQFSR-BLLLJJGKSA-N 1 1 337.376 1.253 20 5 EDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000554576499 448037005 /nfs/dbraw/zinc/03/70/05/448037005.db2.gz UEOYEASHQDAWBV-LLVKDONJSA-N 1 1 335.360 1.532 20 5 EDBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000555345764 448074113 /nfs/dbraw/zinc/07/41/13/448074113.db2.gz WKGFUJMTGNTROU-BETUJISGSA-N 1 1 336.392 1.609 20 5 EDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000576683042 448112187 /nfs/dbraw/zinc/11/21/87/448112187.db2.gz JUIMEVSYDCGITA-GFCCVEGCSA-N 1 1 349.387 1.922 20 5 EDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000576683042 448112190 /nfs/dbraw/zinc/11/21/90/448112190.db2.gz JUIMEVSYDCGITA-GFCCVEGCSA-N 1 1 349.387 1.922 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532174920 448212455 /nfs/dbraw/zinc/21/24/55/448212455.db2.gz IKAMBKKSWWQRLU-UONOGXRCSA-N 1 1 336.392 1.307 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000591028679 448239555 /nfs/dbraw/zinc/23/95/55/448239555.db2.gz AQGFLFLQGXFBSJ-RISCZKNCSA-N 1 1 332.360 1.004 20 5 EDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591263794 448301186 /nfs/dbraw/zinc/30/11/86/448301186.db2.gz TVDOUMRARCMJPF-NSHDSACASA-N 1 1 335.360 1.276 20 5 EDBDMO C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@H+]1CCO ZINC000591370588 448347523 /nfs/dbraw/zinc/34/75/23/448347523.db2.gz IHSOOSJKWPWKPF-NEPJUHHUSA-N 1 1 331.376 1.429 20 5 EDBDMO C[C@H](CC[NH+](C)C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519502041 448773668 /nfs/dbraw/zinc/77/36/68/448773668.db2.gz KNMMJRSENALQSC-GFCCVEGCSA-N 1 1 329.422 1.298 20 5 EDBDMO Cn1c2cc(NCC[N@@H+]3CC=CCC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588038064 448862048 /nfs/dbraw/zinc/86/20/48/448862048.db2.gz RPPJYLNYYAHCJL-UHFFFAOYSA-N 1 1 331.376 1.459 20 5 EDBDMO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592571268 448905650 /nfs/dbraw/zinc/90/56/50/448905650.db2.gz WPWYPAZWAURFCN-ZDUSSCGKSA-N 1 1 329.360 1.876 20 5 EDBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588862550 448942225 /nfs/dbraw/zinc/94/22/25/448942225.db2.gz FIILNHYAZNZUCH-TZMCWYRMSA-N 1 1 339.779 1.529 20 5 EDBDMO Cc1nc(NCC[NH+]2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000574957373 448997391 /nfs/dbraw/zinc/99/73/91/448997391.db2.gz AAXOZTRYEBCWJN-UHFFFAOYSA-N 1 1 342.403 1.927 20 5 EDBDMO CCCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592833318 449009129 /nfs/dbraw/zinc/00/91/29/449009129.db2.gz YLUXGMSKFRJAJQ-HNNXBMFYSA-N 1 1 348.403 1.267 20 5 EDBDMO COC(=O)c1cc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000597858567 449126311 /nfs/dbraw/zinc/12/63/11/449126311.db2.gz NFAGSYLAPMVHGA-CYBMUJFWSA-N 1 1 349.387 1.984 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000590012021 449097250 /nfs/dbraw/zinc/09/72/50/449097250.db2.gz OATXZNFWFANRCX-GXTWGEPZSA-N 1 1 329.360 1.781 20 5 EDBDMO CNc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000530292024 449104947 /nfs/dbraw/zinc/10/49/47/449104947.db2.gz IXCLXLZEOJLSGS-VXGBXAGGSA-N 1 1 336.392 1.164 20 5 EDBDMO CNc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000530292024 449104949 /nfs/dbraw/zinc/10/49/49/449104949.db2.gz IXCLXLZEOJLSGS-VXGBXAGGSA-N 1 1 336.392 1.164 20 5 EDBDMO C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000593102103 449136526 /nfs/dbraw/zinc/13/65/26/449136526.db2.gz XDLUOLWGVXIGQD-IINYFYTJSA-N 1 1 325.340 1.112 20 5 EDBDMO C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000593102103 449136530 /nfs/dbraw/zinc/13/65/30/449136530.db2.gz XDLUOLWGVXIGQD-IINYFYTJSA-N 1 1 325.340 1.112 20 5 EDBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595671337 449112036 /nfs/dbraw/zinc/11/20/36/449112036.db2.gz QNIJZNQHQDMIGI-UNEWFSDZSA-N 1 1 338.404 1.817 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590278838 449123118 /nfs/dbraw/zinc/12/31/18/449123118.db2.gz VCVZOURCTHHIOT-OCCSQVGLSA-N 1 1 346.387 1.313 20 5 EDBDMO COc1ccc(CC(=O)N2CC[NH+](CCCF)CC2)cc1[N+](=O)[O-] ZINC000600071995 449171114 /nfs/dbraw/zinc/17/11/14/449171114.db2.gz LIIKAQXVLZZMPY-UHFFFAOYSA-N 1 1 339.367 1.650 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000595736574 449138306 /nfs/dbraw/zinc/13/83/06/449138306.db2.gz MOVPFJKJOIYADC-OLZOCXBDSA-N 1 1 337.376 1.577 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000595736574 449138311 /nfs/dbraw/zinc/13/83/11/449138311.db2.gz MOVPFJKJOIYADC-OLZOCXBDSA-N 1 1 337.376 1.577 20 5 EDBDMO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000593735566 449170438 /nfs/dbraw/zinc/17/04/38/449170438.db2.gz PWKKVRDCHDPTIH-TXEJJXNPSA-N 1 1 339.367 1.190 20 5 EDBDMO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000593735566 449170441 /nfs/dbraw/zinc/17/04/41/449170441.db2.gz PWKKVRDCHDPTIH-TXEJJXNPSA-N 1 1 339.367 1.190 20 5 EDBDMO O=C1CC[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595737278 449139707 /nfs/dbraw/zinc/13/97/07/449139707.db2.gz HSVSRFBOOUFDFP-CJNGLKHVSA-N 1 1 333.388 1.964 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC000590399776 449147411 /nfs/dbraw/zinc/14/74/11/449147411.db2.gz LDFWHQIOMJLHKN-UHFFFAOYSA-N 1 1 332.404 1.223 20 5 EDBDMO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nnc2n1CCCCC2 ZINC000595799466 449172709 /nfs/dbraw/zinc/17/27/09/449172709.db2.gz GGGNWTPWAOILNE-GFCCVEGCSA-N 1 1 333.396 1.850 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2C[C@@H](C(=O)OC)C2)c1 ZINC000595855879 449209186 /nfs/dbraw/zinc/20/91/86/449209186.db2.gz HWYMMJFXZRWNQT-BJHJDKERSA-N 1 1 336.344 1.765 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2C[C@@H](C(=O)OC)C2)c1 ZINC000595855879 449209193 /nfs/dbraw/zinc/20/91/93/449209193.db2.gz HWYMMJFXZRWNQT-BJHJDKERSA-N 1 1 336.344 1.765 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCn2cncc2C1 ZINC000590599100 449213996 /nfs/dbraw/zinc/21/39/96/449213996.db2.gz HPHAJOZFDYAOEI-UHFFFAOYSA-N 1 1 329.360 1.944 20 5 EDBDMO C[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000604198026 449190150 /nfs/dbraw/zinc/19/01/50/449190150.db2.gz DOVNSVNFUQYALY-ZDUSSCGKSA-N 1 1 329.360 1.605 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595826975 449190862 /nfs/dbraw/zinc/19/08/62/449190862.db2.gz BOHXKEODRKYKHV-OLZOCXBDSA-N 1 1 349.387 1.900 20 5 EDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCc2ccccc21 ZINC000595876165 449226013 /nfs/dbraw/zinc/22/60/13/449226013.db2.gz FAAFKIMBZZKGIB-GDBMZVCRSA-N 1 1 330.388 1.814 20 5 EDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000604474554 449235505 /nfs/dbraw/zinc/23/55/05/449235505.db2.gz BJWJOUZOCRKEDT-GFCCVEGCSA-N 1 1 329.360 1.605 20 5 EDBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593853826 449239514 /nfs/dbraw/zinc/23/95/14/449239514.db2.gz FTWFDJXSQCQVPB-LLVKDONJSA-N 1 1 325.752 1.139 20 5 EDBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593853826 449239516 /nfs/dbraw/zinc/23/95/16/449239516.db2.gz FTWFDJXSQCQVPB-LLVKDONJSA-N 1 1 325.752 1.139 20 5 EDBDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611266501 449243371 /nfs/dbraw/zinc/24/33/71/449243371.db2.gz ISOFCZXBDSGZDS-LBPRGKRZSA-N 1 1 349.387 1.844 20 5 EDBDMO CC(C)C[N@@H+](C)CCCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000593381303 449253988 /nfs/dbraw/zinc/25/39/88/449253988.db2.gz GEPCXXVYAAIJFT-UHFFFAOYSA-N 1 1 326.401 1.068 20 5 EDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600229144 449254407 /nfs/dbraw/zinc/25/44/07/449254407.db2.gz QOYAZJDWIOQNOC-CQSZACIVSA-N 1 1 335.408 1.705 20 5 EDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000611462232 449297155 /nfs/dbraw/zinc/29/71/55/449297155.db2.gz KOGYJNPLJYBRHV-CYBMUJFWSA-N 1 1 348.403 1.255 20 5 EDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC[NH+]1CCSCC1 ZINC000593465720 449299118 /nfs/dbraw/zinc/29/91/18/449299118.db2.gz RNFJXXUVPZLCRL-UHFFFAOYSA-N 1 1 327.381 1.441 20 5 EDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](Cc2ccccc2)C1 ZINC000593504595 449314240 /nfs/dbraw/zinc/31/42/40/449314240.db2.gz QSQMTFTUHJZGGH-CYBMUJFWSA-N 1 1 328.376 1.330 20 5 EDBDMO C[C@H](O)C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000594064132 449344919 /nfs/dbraw/zinc/34/49/19/449344919.db2.gz KVNBFUCYPCEFDV-NSHDSACASA-N 1 1 335.360 1.738 20 5 EDBDMO CC(C)(NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000602112449 449355024 /nfs/dbraw/zinc/35/50/24/449355024.db2.gz HULLVSNRSZKDLF-GJZGRUSLSA-N 1 1 333.388 1.809 20 5 EDBDMO COc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)c(Cl)cc1[N+](=O)[O-] ZINC000596121131 449372973 /nfs/dbraw/zinc/37/29/73/449372973.db2.gz KSMDHPPYOSZQRQ-SNVBAGLBSA-N 1 1 328.800 1.915 20 5 EDBDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611554489 449335294 /nfs/dbraw/zinc/33/52/94/449335294.db2.gz RUDGFANNPNQVQA-JFGNBEQYSA-N 1 1 336.314 1.815 20 5 EDBDMO CCN1CC[NH+](CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611701883 449388167 /nfs/dbraw/zinc/38/81/67/449388167.db2.gz RLMQXJLTRSEAIL-UHFFFAOYSA-N 1 1 344.419 1.978 20 5 EDBDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000596364071 449483551 /nfs/dbraw/zinc/48/35/51/449483551.db2.gz XDYARUBUYNVTFQ-LBPRGKRZSA-N 1 1 337.424 1.378 20 5 EDBDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000596364071 449483553 /nfs/dbraw/zinc/48/35/53/449483553.db2.gz XDYARUBUYNVTFQ-LBPRGKRZSA-N 1 1 337.424 1.378 20 5 EDBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000598599612 449484895 /nfs/dbraw/zinc/48/48/95/449484895.db2.gz KGZHOXIAFVIZJF-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596242483 449435955 /nfs/dbraw/zinc/43/59/55/449435955.db2.gz UPNMHYHUBWVBGK-NSHDSACASA-N 1 1 344.437 1.775 20 5 EDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596537360 449544595 /nfs/dbraw/zinc/54/45/95/449544595.db2.gz DHKMJYPBKKWZBU-HNNXBMFYSA-N 1 1 333.388 1.833 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)nc1 ZINC000594484591 449548671 /nfs/dbraw/zinc/54/86/71/449548671.db2.gz VHYLLRPHRPWSNT-QWHCGFSZSA-N 1 1 340.405 1.285 20 5 EDBDMO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596423288 449496076 /nfs/dbraw/zinc/49/60/76/449496076.db2.gz KSGSPZPXJZOFOX-QGZVFWFLSA-N 1 1 342.399 2.477 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CC[N@H+]3Cc3ccccc3)nn21 ZINC000596559420 449552341 /nfs/dbraw/zinc/55/23/41/449552341.db2.gz YEJHOATVYFDVTN-CQSZACIVSA-N 1 1 338.371 2.324 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000598645718 449517289 /nfs/dbraw/zinc/51/72/89/449517289.db2.gz GMRBTKHFZQMUSZ-CHWSQXEVSA-N 1 1 349.387 1.843 20 5 EDBDMO C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1CO ZINC000598651743 449521413 /nfs/dbraw/zinc/52/14/13/449521413.db2.gz VLGCKNIPSRJUGS-OCCSQVGLSA-N 1 1 333.388 1.434 20 5 EDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1CO ZINC000598651743 449521416 /nfs/dbraw/zinc/52/14/16/449521416.db2.gz VLGCKNIPSRJUGS-OCCSQVGLSA-N 1 1 333.388 1.434 20 5 EDBDMO CN1CCC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602546034 449665113 /nfs/dbraw/zinc/66/51/13/449665113.db2.gz BFKGIYNLEZSHOV-AWEZNQCLSA-N 1 1 333.436 1.890 20 5 EDBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602616685 449707247 /nfs/dbraw/zinc/70/72/47/449707247.db2.gz WVQVVTPNUKHOBG-MYODQAERSA-N 1 1 340.449 1.657 20 5 EDBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602616686 449707501 /nfs/dbraw/zinc/70/75/01/449707501.db2.gz WVQVVTPNUKHOBG-SFDCACGMSA-N 1 1 340.449 1.657 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594800855 449712052 /nfs/dbraw/zinc/71/20/52/449712052.db2.gz IJZOXDCQSWCQSN-CYBMUJFWSA-N 1 1 341.433 1.887 20 5 EDBDMO C[NH+]1CCN(CC2CN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000599107144 449739204 /nfs/dbraw/zinc/73/92/04/449739204.db2.gz JPEVQPXMOMIIGR-UHFFFAOYSA-N 1 1 341.415 1.827 20 5 EDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(C[C@H]2CCOC2)nn1 ZINC000602659548 449736163 /nfs/dbraw/zinc/73/61/63/449736163.db2.gz SLSYHCNQBSVQRF-OAHLLOKOSA-N 1 1 345.403 1.897 20 5 EDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(C[C@H]2CCOC2)nn1 ZINC000602659548 449736165 /nfs/dbraw/zinc/73/61/65/449736165.db2.gz SLSYHCNQBSVQRF-OAHLLOKOSA-N 1 1 345.403 1.897 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000601210928 449753510 /nfs/dbraw/zinc/75/35/10/449753510.db2.gz WQZLLYIYRPGSIK-DZGCQCFKSA-N 1 1 327.388 2.565 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000602786437 449807541 /nfs/dbraw/zinc/80/75/41/449807541.db2.gz TYGSVTFIXKPLTC-AWEZNQCLSA-N 1 1 335.408 1.434 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601318715 449827441 /nfs/dbraw/zinc/82/74/41/449827441.db2.gz QDDCVUJBZUXWOK-VIFPVBQESA-N 1 1 331.419 1.480 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601318715 449827446 /nfs/dbraw/zinc/82/74/46/449827446.db2.gz QDDCVUJBZUXWOK-VIFPVBQESA-N 1 1 331.419 1.480 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000602825219 449837370 /nfs/dbraw/zinc/83/73/70/449837370.db2.gz KDUFKSUBHQMUFN-DVOMOZLQSA-N 1 1 338.408 1.758 20 5 EDBDMO CCc1ccc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614895280 449864320 /nfs/dbraw/zinc/86/43/20/449864320.db2.gz XFCMYBRSKZMOTJ-UHFFFAOYSA-N 1 1 335.404 1.686 20 5 EDBDMO CCc1ccc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614895280 449864323 /nfs/dbraw/zinc/86/43/23/449864323.db2.gz XFCMYBRSKZMOTJ-UHFFFAOYSA-N 1 1 335.404 1.686 20 5 EDBDMO CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000595132242 449890564 /nfs/dbraw/zinc/89/05/64/449890564.db2.gz VTKIEOSNPIOLDV-AWEZNQCLSA-N 1 1 348.403 1.784 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000609257764 449984720 /nfs/dbraw/zinc/98/47/20/449984720.db2.gz DQTRZZDRZJWLCE-CVEARBPZSA-N 1 1 346.387 1.868 20 5 EDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000609448446 450029402 /nfs/dbraw/zinc/02/94/02/450029402.db2.gz POLJYTSUBGIPEB-ZDUSSCGKSA-N 1 1 325.340 1.575 20 5 EDBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000595357104 450073319 /nfs/dbraw/zinc/07/33/19/450073319.db2.gz YFEJFKHREIPYNG-ZDUSSCGKSA-N 1 1 341.433 1.974 20 5 EDBDMO CN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000609557333 450051795 /nfs/dbraw/zinc/05/17/95/450051795.db2.gz XKXFHUJBHAJQQA-OAHLLOKOSA-N 1 1 348.403 1.852 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCO[C@H]3CC3(F)F)C2)nc1 ZINC000595373223 450087149 /nfs/dbraw/zinc/08/71/49/450087149.db2.gz YQBNVXSOAJHACA-PWSUYJOCSA-N 1 1 328.319 1.900 20 5 EDBDMO COc1cccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)c1[N+](=O)[O-] ZINC000597577034 450120152 /nfs/dbraw/zinc/12/01/52/450120152.db2.gz FRZNZTBLBUUNTP-CHWSQXEVSA-N 1 1 337.351 1.862 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597606962 450143394 /nfs/dbraw/zinc/14/33/94/450143394.db2.gz ZNZIRWGGXFGOQX-GFCCVEGCSA-N 1 1 335.360 1.880 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599681405 450148935 /nfs/dbraw/zinc/14/89/35/450148935.db2.gz QESNTRRTIAQPDL-FABXCBLPSA-N 1 1 349.387 1.777 20 5 EDBDMO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595461143 450158135 /nfs/dbraw/zinc/15/81/35/450158135.db2.gz MDEWPVXAKUQIFC-DOMZBBRYSA-N 1 1 342.367 1.580 20 5 EDBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595461143 450158140 /nfs/dbraw/zinc/15/81/40/450158140.db2.gz MDEWPVXAKUQIFC-DOMZBBRYSA-N 1 1 342.367 1.580 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599669043 450141253 /nfs/dbraw/zinc/14/12/53/450141253.db2.gz ATQGMYBVMNQIGS-GMXVVIOVSA-N 1 1 337.376 1.633 20 5 EDBDMO Cc1c(CC(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000597707059 450209899 /nfs/dbraw/zinc/20/98/99/450209899.db2.gz MYBRZKOJWXCUEI-MRXNPFEDSA-N 1 1 347.415 1.769 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000610309573 450188404 /nfs/dbraw/zinc/18/84/04/450188404.db2.gz PRZVZVGENQYPHP-LBPRGKRZSA-N 1 1 349.387 1.780 20 5 EDBDMO C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1C[N@H+](C)CCO1 ZINC000610900948 450374896 /nfs/dbraw/zinc/37/48/96/450374896.db2.gz RVVLFDZBCMNUSS-MLGOLLRUSA-N 1 1 346.387 1.385 20 5 EDBDMO C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1C[N@@H+](C)CCO1 ZINC000610900948 450374899 /nfs/dbraw/zinc/37/48/99/450374899.db2.gz RVVLFDZBCMNUSS-MLGOLLRUSA-N 1 1 346.387 1.385 20 5 EDBDMO Cc1c(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000187733060 533895786 /nfs/dbraw/zinc/89/57/86/533895786.db2.gz GMBRJYWLHHZRSP-UHFFFAOYSA-N 1 1 334.376 1.394 20 5 EDBDMO C[C@H](O)[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000130116553 534109014 /nfs/dbraw/zinc/10/90/14/534109014.db2.gz DMLZCKONRCRRPZ-QWRGUYRKSA-N 1 1 325.340 1.765 20 5 EDBDMO CC(C)C(=O)N1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153944981 527473447 /nfs/dbraw/zinc/47/34/47/527473447.db2.gz IFASAHBNHNMXMR-MRXNPFEDSA-N 1 1 335.404 1.819 20 5 EDBDMO CC(C)C(=O)N1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153944981 527473451 /nfs/dbraw/zinc/47/34/51/527473451.db2.gz IFASAHBNHNMXMR-MRXNPFEDSA-N 1 1 335.404 1.819 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000186739526 528135275 /nfs/dbraw/zinc/13/52/75/528135275.db2.gz FSNASXJNEQGZGQ-UHFFFAOYSA-N 1 1 349.387 1.938 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000183961830 528548079 /nfs/dbraw/zinc/54/80/79/528548079.db2.gz UPBBKIPYWQQXKI-UHFFFAOYSA-N 1 1 337.401 1.854 20 5 EDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000263981787 535707247 /nfs/dbraw/zinc/70/72/47/535707247.db2.gz BNFMFYXIAQGCLJ-LBPRGKRZSA-N 1 1 348.407 1.817 20 5 EDBDMO CN1C(=O)N[C@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000345675303 536326793 /nfs/dbraw/zinc/32/67/93/536326793.db2.gz MFRVYGNHIWVNGS-QWHCGFSZSA-N 1 1 347.375 1.021 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246575545 536469589 /nfs/dbraw/zinc/46/95/89/536469589.db2.gz CEIKNSAYYRKZDW-XJKSGUPXSA-N 1 1 333.388 1.916 20 5 EDBDMO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000732043866 578688261 /nfs/dbraw/zinc/68/82/61/578688261.db2.gz TZRODLUCJFVNEI-LBPRGKRZSA-N 1 1 336.348 1.588 20 5 EDBDMO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000736842735 579025736 /nfs/dbraw/zinc/02/57/36/579025736.db2.gz VYWAZITWPPVYEZ-LBPRGKRZSA-N 1 1 329.364 1.448 20 5 EDBDMO COCC1(O)CC[NH+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000761290929 580054073 /nfs/dbraw/zinc/05/40/73/580054073.db2.gz FYRQTFWAQFZICT-UHFFFAOYSA-N 1 1 334.376 1.684 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000750036264 579749244 /nfs/dbraw/zinc/74/92/44/579749244.db2.gz KHKMIHQKOCWHGC-ROUUACIJSA-N 1 1 349.431 1.815 20 5 EDBDMO C/C(=C/C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752550030 579861266 /nfs/dbraw/zinc/86/12/66/579861266.db2.gz FYDWRJLFBYNLNI-AINHQSCGSA-N 1 1 345.399 1.931 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000758332478 579980124 /nfs/dbraw/zinc/98/01/24/579980124.db2.gz CAKCSXOBXDMCPM-FZMZJTMJSA-N 1 1 347.371 1.385 20 5 EDBDMO Cc1c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000771392904 580285665 /nfs/dbraw/zinc/28/56/65/580285665.db2.gz CCIKDXYWZTWILK-MNOVXSKESA-N 1 1 336.348 1.976 20 5 EDBDMO Cc1c(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000771392904 580285666 /nfs/dbraw/zinc/28/56/66/580285666.db2.gz CCIKDXYWZTWILK-MNOVXSKESA-N 1 1 336.348 1.976 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC[N@@H+]1C ZINC000776159892 580410000 /nfs/dbraw/zinc/41/00/00/580410000.db2.gz PHYYYBXTPHDASF-CYBMUJFWSA-N 1 1 348.403 1.208 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC[N@H+]1C ZINC000776159892 580410001 /nfs/dbraw/zinc/41/00/01/580410001.db2.gz PHYYYBXTPHDASF-CYBMUJFWSA-N 1 1 348.403 1.208 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592173 580423165 /nfs/dbraw/zinc/42/31/65/580423165.db2.gz ZUDMDJFKNSNTBC-HNNXBMFYSA-N 1 1 331.376 1.184 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000781945063 580560887 /nfs/dbraw/zinc/56/08/87/580560887.db2.gz YCPCVMQYHVMUDG-BBRMVZONSA-N 1 1 337.420 1.405 20 5 EDBDMO C[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)[C@@H](C)C[N@@H+]1C ZINC000782044367 580564853 /nfs/dbraw/zinc/56/48/53/580564853.db2.gz SBKGTWWPFXQLNA-BFQNTYOBSA-N 1 1 346.387 1.639 20 5 EDBDMO C[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)[C@@H](C)C[N@H+]1C ZINC000782044367 580564854 /nfs/dbraw/zinc/56/48/54/580564854.db2.gz SBKGTWWPFXQLNA-BFQNTYOBSA-N 1 1 346.387 1.639 20 5 EDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000794983644 580909919 /nfs/dbraw/zinc/90/99/19/580909919.db2.gz MRDJNGVVIGPGEW-LJISPDSOSA-N 1 1 345.355 1.051 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)OCCC[N@H+]1CCO[C@H](C)C1 ZINC000893385164 590823133 /nfs/dbraw/zinc/82/31/33/590823133.db2.gz FUAVMYUQKMUJLF-GFCCVEGCSA-N 1 1 338.360 1.871 20 5 EDBDMO COc1c(O)ccc(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894158943 591211467 /nfs/dbraw/zinc/21/14/67/591211467.db2.gz RCCISRCJBLDDBM-NWDGAFQWSA-N 1 1 339.392 1.196 20 5 EDBDMO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896557222 591521577 /nfs/dbraw/zinc/52/15/77/591521577.db2.gz SRGCJICJPCKEEQ-BBRMVZONSA-N 1 1 334.420 1.278 20 5 EDBDMO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896557222 591521585 /nfs/dbraw/zinc/52/15/85/591521585.db2.gz SRGCJICJPCKEEQ-BBRMVZONSA-N 1 1 334.420 1.278 20 5 EDBDMO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896557222 591521589 /nfs/dbraw/zinc/52/15/89/591521589.db2.gz SRGCJICJPCKEEQ-BBRMVZONSA-N 1 1 334.420 1.278 20 5 EDBDMO C[C@@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@@H]1C[N@@H+](C)CCN1C ZINC000895245818 591678250 /nfs/dbraw/zinc/67/82/50/591678250.db2.gz IDRJFCNDFFGOEZ-RISCZKNCSA-N 1 1 330.392 1.584 20 5 EDBDMO C[C@@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895245818 591678253 /nfs/dbraw/zinc/67/82/53/591678253.db2.gz IDRJFCNDFFGOEZ-RISCZKNCSA-N 1 1 330.392 1.584 20 5 EDBDMO C[C@@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@@H]1CN(C)CC[N@H+]1C ZINC000895245818 591678257 /nfs/dbraw/zinc/67/82/57/591678257.db2.gz IDRJFCNDFFGOEZ-RISCZKNCSA-N 1 1 330.392 1.584 20 5 EDBDMO O=[N+]([O-])c1cnc2ccccc2c1NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000895252293 591681408 /nfs/dbraw/zinc/68/14/08/591681408.db2.gz CTVMBGWGLWVOPQ-UHFFFAOYSA-N 1 1 344.371 1.426 20 5 EDBDMO O=[N+]([O-])c1cnc2ccccc2c1NCC[N@H+]1CCC2(C1)OCCO2 ZINC000895252293 591681409 /nfs/dbraw/zinc/68/14/09/591681409.db2.gz CTVMBGWGLWVOPQ-UHFFFAOYSA-N 1 1 344.371 1.426 20 5 EDBDMO C[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000897049647 591721393 /nfs/dbraw/zinc/72/13/93/591721393.db2.gz GYMGZGHDTMUJOE-MCIONIFRSA-N 1 1 332.404 1.901 20 5 EDBDMO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897220849 591775680 /nfs/dbraw/zinc/77/56/80/591775680.db2.gz FBCRFWKBWHRDLN-NEPJUHHUSA-N 1 1 326.784 1.679 20 5 EDBDMO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897220849 591775682 /nfs/dbraw/zinc/77/56/82/591775682.db2.gz FBCRFWKBWHRDLN-NEPJUHHUSA-N 1 1 326.784 1.679 20 5 EDBDMO CO[C@@H]1CC[C@H]1[N@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000902639486 592034051 /nfs/dbraw/zinc/03/40/51/592034051.db2.gz VMMYSOJGBWNYCA-ARFHVFGLSA-N 1 1 333.388 1.977 20 5 EDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000902639486 592034054 /nfs/dbraw/zinc/03/40/54/592034054.db2.gz VMMYSOJGBWNYCA-ARFHVFGLSA-N 1 1 333.388 1.977 20 5 EDBDMO C[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000901140759 592256489 /nfs/dbraw/zinc/25/64/89/592256489.db2.gz NMJFDWRTGNRAPV-UFBFGSQYSA-N 1 1 345.758 1.836 20 5 EDBDMO C[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000901140759 592256491 /nfs/dbraw/zinc/25/64/91/592256491.db2.gz NMJFDWRTGNRAPV-UFBFGSQYSA-N 1 1 345.758 1.836 20 5 EDBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000802134908 593221749 /nfs/dbraw/zinc/22/17/49/593221749.db2.gz QHVXNJUUSSQSDM-ZDUSSCGKSA-N 1 1 338.360 1.626 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840173456 593336955 /nfs/dbraw/zinc/33/69/55/593336955.db2.gz CWLJJFLLHSVUPO-LBPRGKRZSA-N 1 1 331.376 1.621 20 5 EDBDMO C[C@@H](O)C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000839573946 593341197 /nfs/dbraw/zinc/34/11/97/593341197.db2.gz DRXHDMJWAIEGOA-VHSXEESVSA-N 1 1 345.783 1.250 20 5 EDBDMO C[C@@H](O)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000839573946 593341200 /nfs/dbraw/zinc/34/12/00/593341200.db2.gz DRXHDMJWAIEGOA-VHSXEESVSA-N 1 1 345.783 1.250 20 5 EDBDMO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839639315 593361233 /nfs/dbraw/zinc/36/12/33/593361233.db2.gz DMJVPNLUBZCJLO-HZPDHXFCSA-N 1 1 335.404 1.689 20 5 EDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000840023039 593383773 /nfs/dbraw/zinc/38/37/73/593383773.db2.gz KMRQMWRACYKLST-DLBZAZTESA-N 1 1 347.371 1.602 20 5 EDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000840023039 593383776 /nfs/dbraw/zinc/38/37/76/593383776.db2.gz KMRQMWRACYKLST-DLBZAZTESA-N 1 1 347.371 1.602 20 5 EDBDMO Nc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC000840332174 593538059 /nfs/dbraw/zinc/53/80/59/593538059.db2.gz WEFWRJVKFYYNQY-UHFFFAOYSA-N 1 1 336.392 1.470 20 5 EDBDMO C[NH+](C)[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000823765372 593853990 /nfs/dbraw/zinc/85/39/90/593853990.db2.gz LKVCCCQEBALPGS-ZFWWWQNUSA-N 1 1 333.344 1.640 20 5 EDBDMO Nc1ccc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000823997675 593904314 /nfs/dbraw/zinc/90/43/14/593904314.db2.gz GNLOEUSSIUXWMN-NWDGAFQWSA-N 1 1 335.364 1.162 20 5 EDBDMO CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000823266865 594178315 /nfs/dbraw/zinc/17/83/15/594178315.db2.gz IECDAACWOPQAQB-OAHLLOKOSA-N 1 1 340.468 1.449 20 5 EDBDMO CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000823266865 594178316 /nfs/dbraw/zinc/17/83/16/594178316.db2.gz IECDAACWOPQAQB-OAHLLOKOSA-N 1 1 340.468 1.449 20 5 EDBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000823309979 594183571 /nfs/dbraw/zinc/18/35/71/594183571.db2.gz FGRPJMOQUMNDTA-SNVBAGLBSA-N 1 1 338.339 1.516 20 5 EDBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000834328584 595094885 /nfs/dbraw/zinc/09/48/85/595094885.db2.gz PPWWMYCKISBBHJ-UHFFFAOYSA-N 1 1 347.350 1.866 20 5 EDBDMO C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000846701370 595303901 /nfs/dbraw/zinc/30/39/01/595303901.db2.gz FAXZLYBAJXPDJM-HUUCEWRRSA-N 1 1 346.387 1.301 20 5 EDBDMO C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000846701370 595303902 /nfs/dbraw/zinc/30/39/02/595303902.db2.gz FAXZLYBAJXPDJM-HUUCEWRRSA-N 1 1 346.387 1.301 20 5 EDBDMO CON1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000846980911 595345690 /nfs/dbraw/zinc/34/56/90/595345690.db2.gz XMFRFBWYVKMSPQ-UHFFFAOYSA-N 1 1 326.328 1.242 20 5 EDBDMO NC(=O)C[C@H]1CC[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848486723 595392809 /nfs/dbraw/zinc/39/28/09/595392809.db2.gz KQIOGWWRCFEJAT-IUODEOHRSA-N 1 1 346.387 1.066 20 5 EDBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000853559349 595803289 /nfs/dbraw/zinc/80/32/89/595803289.db2.gz FVNJFSYETUBTKZ-MRXNPFEDSA-N 1 1 329.404 1.998 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)c3ccccn3)C2)nc1 ZINC000851843210 595944143 /nfs/dbraw/zinc/94/41/43/595944143.db2.gz CDLLNDJBXWJCJY-IUODEOHRSA-N 1 1 329.360 1.605 20 5 EDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000856480547 596002755 /nfs/dbraw/zinc/00/27/55/596002755.db2.gz VBUBPBGXDYKUBY-LBPRGKRZSA-N 1 1 333.392 1.424 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856728778 596062948 /nfs/dbraw/zinc/06/29/48/596062948.db2.gz HKKKDHLGBHLNGH-JTQLQIEISA-N 1 1 344.209 1.860 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC[N@@H+]1C ZINC000859622505 596149775 /nfs/dbraw/zinc/14/97/75/596149775.db2.gz LBOHKIFLWHRUOK-LLVKDONJSA-N 1 1 347.350 1.696 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC[N@H+]1C ZINC000859622505 596149777 /nfs/dbraw/zinc/14/97/77/596149777.db2.gz LBOHKIFLWHRUOK-LLVKDONJSA-N 1 1 347.350 1.696 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852707671 596230921 /nfs/dbraw/zinc/23/09/21/596230921.db2.gz IPWJPGNULGYUAP-IAGOWNOFSA-N 1 1 335.404 1.159 20 5 EDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000865061331 596459474 /nfs/dbraw/zinc/45/94/74/596459474.db2.gz XVKNRKHYYZWAQO-OLZOCXBDSA-N 1 1 337.351 1.256 20 5 EDBDMO CN1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2cccnc21 ZINC000872318283 596879408 /nfs/dbraw/zinc/87/94/08/596879408.db2.gz PSIOPPGNSKHNRU-INIZCTEOSA-N 1 1 328.372 1.975 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000872664456 597020222 /nfs/dbraw/zinc/02/02/22/597020222.db2.gz SSDNYNICSYGSDC-LSDHHAIUSA-N 1 1 339.417 1.593 20 5 EDBDMO C[C@@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000874509952 597102517 /nfs/dbraw/zinc/10/25/17/597102517.db2.gz AWLSSDCIJAKTHO-BVIKNXMNSA-N 1 1 329.400 1.632 20 5 EDBDMO C[C@@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000874509952 597102521 /nfs/dbraw/zinc/10/25/21/597102521.db2.gz AWLSSDCIJAKTHO-BVIKNXMNSA-N 1 1 329.400 1.632 20 5 EDBDMO C[C@@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000874509952 597102525 /nfs/dbraw/zinc/10/25/25/597102525.db2.gz AWLSSDCIJAKTHO-BVIKNXMNSA-N 1 1 329.400 1.632 20 5 EDBDMO Cc1ccc(CNC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000876169370 597119100 /nfs/dbraw/zinc/11/91/00/597119100.db2.gz VMERLBGQNLUWCC-ZDUSSCGKSA-N 1 1 336.392 1.111 20 5 EDBDMO COCC[NH+]1CCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000876171353 597119568 /nfs/dbraw/zinc/11/95/68/597119568.db2.gz KSOXZXMRRLCZJL-UHFFFAOYSA-N 1 1 336.392 1.377 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000874833539 597190557 /nfs/dbraw/zinc/19/05/57/597190557.db2.gz OGJIWZQSSGNUFJ-VXGBXAGGSA-N 1 1 347.400 1.908 20 5 EDBDMO CN(CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C)c1ccccc1[N+](=O)[O-] ZINC000874836361 597191408 /nfs/dbraw/zinc/19/14/08/597191408.db2.gz GEZVJZYGZYLREF-LSDHHAIUSA-N 1 1 332.404 1.726 20 5 EDBDMO C[N@@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CC1 ZINC000878414362 597600355 /nfs/dbraw/zinc/60/03/55/597600355.db2.gz KIGHHPQKTGXQDG-UHFFFAOYSA-N 1 1 335.360 1.580 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879576733 597640058 /nfs/dbraw/zinc/64/00/58/597640058.db2.gz TUKWWTIUXWROGY-NFAWXSAZSA-N 1 1 332.404 1.948 20 5 EDBDMO CCN1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@@H+]2CC)ncc1[N+](=O)[O-] ZINC000882958850 598116682 /nfs/dbraw/zinc/11/66/82/598116682.db2.gz MLGGDGYQXLJQBM-CHWSQXEVSA-N 1 1 349.439 1.397 20 5 EDBDMO CCN1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@H+]2CC)ncc1[N+](=O)[O-] ZINC000882958850 598116684 /nfs/dbraw/zinc/11/66/84/598116684.db2.gz MLGGDGYQXLJQBM-CHWSQXEVSA-N 1 1 349.439 1.397 20 5 EDBDMO Cc1cc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC001031562712 697253987 /nfs/dbraw/zinc/25/39/87/697253987.db2.gz XELJOVHAKWXOMG-UHFFFAOYSA-N 1 1 329.360 1.488 20 5 EDBDMO Cc1ocnc1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001031567858 697261216 /nfs/dbraw/zinc/26/12/16/697261216.db2.gz HLUQIKPMCLYXSM-UHFFFAOYSA-N 1 1 330.344 1.753 20 5 EDBDMO CCc1nc[nH]c1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001032159914 701985523 /nfs/dbraw/zinc/98/55/23/701985523.db2.gz ZKYPGRZRZYFPNR-UHFFFAOYSA-N 1 1 343.387 1.742 20 5 EDBDMO Cc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)o1 ZINC000946589056 704164280 /nfs/dbraw/zinc/16/42/80/704164280.db2.gz CXLUTKHOLLBEGG-OCVGTWLNSA-N 1 1 348.403 1.319 20 5 EDBDMO Cc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)o1 ZINC000946589056 704164282 /nfs/dbraw/zinc/16/42/82/704164282.db2.gz CXLUTKHOLLBEGG-OCVGTWLNSA-N 1 1 348.403 1.319 20 5 EDBDMO Cc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)o1 ZINC000946589056 704164284 /nfs/dbraw/zinc/16/42/84/704164284.db2.gz CXLUTKHOLLBEGG-OCVGTWLNSA-N 1 1 348.403 1.319 20 5 EDBDMO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000997766812 704670348 /nfs/dbraw/zinc/67/03/48/704670348.db2.gz BUALTCKOAUWYCU-IAGOWNOFSA-N 1 1 347.415 1.689 20 5 EDBDMO Cc1nonc1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001032224868 704776833 /nfs/dbraw/zinc/77/68/33/704776833.db2.gz REAWAMUZABAPDP-UHFFFAOYSA-N 1 1 331.332 1.148 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]CCc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034643102 710318899 /nfs/dbraw/zinc/31/88/99/710318899.db2.gz JVWOPYQILBDMQD-QBPKDAKJSA-N 1 1 331.416 1.911 20 5 EDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000052579760 214135112 /nfs/dbraw/zinc/13/51/12/214135112.db2.gz DELMRMUJNZGMMM-UHFFFAOYSA-N 1 1 343.387 1.356 20 5 EDBDMO CC[C@]1(CO)CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189607181 529431134 /nfs/dbraw/zinc/43/11/34/529431134.db2.gz DSTBQQCLMIHGFU-OAHLLOKOSA-N 1 1 342.417 1.605 20 5 EDBDMO CC[C@]1(CO)CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189607181 529431135 /nfs/dbraw/zinc/43/11/35/529431135.db2.gz DSTBQQCLMIHGFU-OAHLLOKOSA-N 1 1 342.417 1.605 20 5 EDBDMO CN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000175060850 529773433 /nfs/dbraw/zinc/77/34/33/529773433.db2.gz ALOSWTBWROTTCF-HNNXBMFYSA-N 1 1 337.424 1.103 20 5 EDBDMO C[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000175060850 529773435 /nfs/dbraw/zinc/77/34/35/529773435.db2.gz ALOSWTBWROTTCF-HNNXBMFYSA-N 1 1 337.424 1.103 20 5 EDBDMO C[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000175060850 529773436 /nfs/dbraw/zinc/77/34/36/529773436.db2.gz ALOSWTBWROTTCF-HNNXBMFYSA-N 1 1 337.424 1.103 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C2CC2)CC1 ZINC000126082180 222650482 /nfs/dbraw/zinc/65/04/82/222650482.db2.gz TVVNLBUGSMGAAZ-UHFFFAOYSA-N 1 1 334.376 1.322 20 5 EDBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154754213 530033048 /nfs/dbraw/zinc/03/30/48/530033048.db2.gz SWVGBDMUUNGVGE-CQSZACIVSA-N 1 1 327.406 1.451 20 5 EDBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2F)C1 ZINC000131956746 138368170 /nfs/dbraw/zinc/36/81/70/138368170.db2.gz AICQXEPRQBSHAV-SECBINFHSA-N 1 1 338.368 1.823 20 5 EDBDMO C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000187277251 236166104 /nfs/dbraw/zinc/16/61/04/236166104.db2.gz GCGCRVFIGMYFMN-NSHDSACASA-N 1 1 332.360 1.215 20 5 EDBDMO C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000187277251 236166105 /nfs/dbraw/zinc/16/61/05/236166105.db2.gz GCGCRVFIGMYFMN-NSHDSACASA-N 1 1 332.360 1.215 20 5 EDBDMO COc1cc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000174184235 138680301 /nfs/dbraw/zinc/68/03/01/138680301.db2.gz PRBBTJHOJQIZJP-CYBMUJFWSA-N 1 1 349.387 1.398 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000414496033 304120092 /nfs/dbraw/zinc/12/00/92/304120092.db2.gz HXIUHSYBBINOCR-NSHDSACASA-N 1 1 337.376 1.522 20 5 EDBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000367076543 284001163 /nfs/dbraw/zinc/00/11/63/284001163.db2.gz PFIMFVAVQJUKKR-STQMWFEESA-N 1 1 337.351 1.717 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000367076543 284001165 /nfs/dbraw/zinc/00/11/65/284001165.db2.gz PFIMFVAVQJUKKR-STQMWFEESA-N 1 1 337.351 1.717 20 5 EDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000195188450 139009351 /nfs/dbraw/zinc/00/93/51/139009351.db2.gz JOYBUTGMHGKBEH-INIZCTEOSA-N 1 1 332.404 1.333 20 5 EDBDMO CCOCC[NH+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000110917956 220079955 /nfs/dbraw/zinc/07/99/55/220079955.db2.gz GIIQMXRODXJMQK-UHFFFAOYSA-N 1 1 346.387 1.870 20 5 EDBDMO CCNC(=O)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000111196105 220106978 /nfs/dbraw/zinc/10/69/78/220106978.db2.gz ZJJSOOLUUXFUNG-UHFFFAOYSA-N 1 1 336.392 1.711 20 5 EDBDMO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000150720014 223731511 /nfs/dbraw/zinc/73/15/11/223731511.db2.gz FWRAQPADYBCZGE-CYBMUJFWSA-N 1 1 337.376 1.058 20 5 EDBDMO COC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000251940267 139203454 /nfs/dbraw/zinc/20/34/54/139203454.db2.gz UPHQYXKKOAJHIO-OLZOCXBDSA-N 1 1 337.376 1.659 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261702705 139218839 /nfs/dbraw/zinc/21/88/39/139218839.db2.gz DAHPGSXQRULCDY-CQSZACIVSA-N 1 1 349.778 1.618 20 5 EDBDMO CCc1ccc(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000569622061 306513581 /nfs/dbraw/zinc/51/35/81/306513581.db2.gz FUZUGNFTCVUZLW-UHFFFAOYSA-N 1 1 327.406 1.530 20 5 EDBDMO COCC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000112355977 220309757 /nfs/dbraw/zinc/30/97/57/220309757.db2.gz SBYIRAJDVPMAIZ-UHFFFAOYSA-N 1 1 333.388 1.842 20 5 EDBDMO CC[N@@H+](CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000263687546 139352933 /nfs/dbraw/zinc/35/29/33/139352933.db2.gz GMLOYGXKKZKIME-UHFFFAOYSA-N 1 1 343.387 1.995 20 5 EDBDMO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC[N@H+]1CCCOCC1 ZINC000492019375 255159497 /nfs/dbraw/zinc/15/94/97/255159497.db2.gz WZBCRYRRZAFOOF-HWKANZROSA-N 1 1 337.351 1.586 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493438637 255208434 /nfs/dbraw/zinc/20/84/34/255208434.db2.gz YOFJZOYNLSMVAW-YFHOEESVSA-N 1 1 334.420 1.608 20 5 EDBDMO CN(CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000493438637 255208435 /nfs/dbraw/zinc/20/84/35/255208435.db2.gz YOFJZOYNLSMVAW-YFHOEESVSA-N 1 1 334.420 1.608 20 5 EDBDMO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000116922598 221011791 /nfs/dbraw/zinc/01/17/91/221011791.db2.gz MAHNMGZMORQKID-UHFFFAOYSA-N 1 1 339.373 1.564 20 5 EDBDMO NC(=O)[C@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117333802 221054645 /nfs/dbraw/zinc/05/46/45/221054645.db2.gz XZNLKIGZDHUERM-GFCCVEGCSA-N 1 1 348.359 1.233 20 5 EDBDMO NC(=O)[C@H]1CCCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117333802 221054647 /nfs/dbraw/zinc/05/46/47/221054647.db2.gz XZNLKIGZDHUERM-GFCCVEGCSA-N 1 1 348.359 1.233 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117755453 221086855 /nfs/dbraw/zinc/08/68/55/221086855.db2.gz HLRABBLOCMYIAJ-UHFFFAOYSA-N 1 1 343.811 1.875 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000118898452 221202745 /nfs/dbraw/zinc/20/27/45/221202745.db2.gz HVUHKSJQRIDBQN-GFCCVEGCSA-N 1 1 334.376 1.300 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000119093368 221242150 /nfs/dbraw/zinc/24/21/50/221242150.db2.gz NHVCMUZNIZLUOY-CQSZACIVSA-N 1 1 331.376 1.977 20 5 EDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](CCO)CCN1CCOCC1 ZINC000347379765 533383507 /nfs/dbraw/zinc/38/35/07/533383507.db2.gz WMHUXRHHRKJGJF-SSZFMOIBSA-N 1 1 349.431 1.625 20 5 EDBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H]1C[N@H+](C)CCO1 ZINC000154804943 533565418 /nfs/dbraw/zinc/56/54/18/533565418.db2.gz XOZRFWBHXVCZCV-LDYMZIIASA-N 1 1 345.197 1.883 20 5 EDBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H]1C[N@@H+](C)CCO1 ZINC000154804943 533565425 /nfs/dbraw/zinc/56/54/25/533565425.db2.gz XOZRFWBHXVCZCV-LDYMZIIASA-N 1 1 345.197 1.883 20 5 EDBDMO COc1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000129478846 533567832 /nfs/dbraw/zinc/56/78/32/533567832.db2.gz DTHXPYMYPBQNDW-OAHLLOKOSA-N 1 1 335.404 1.758 20 5 EDBDMO COc1ccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000129478846 533567838 /nfs/dbraw/zinc/56/78/38/533567838.db2.gz DTHXPYMYPBQNDW-OAHLLOKOSA-N 1 1 335.404 1.758 20 5 EDBDMO Cc1sc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000270726458 140156399 /nfs/dbraw/zinc/15/63/99/140156399.db2.gz XNECKKJHUPDKIB-GFCCVEGCSA-N 1 1 341.433 1.931 20 5 EDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1O ZINC000270941959 140203996 /nfs/dbraw/zinc/20/39/96/140203996.db2.gz RQJGZVDPEMHQHW-RISCZKNCSA-N 1 1 337.376 1.635 20 5 EDBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000331967550 141104406 /nfs/dbraw/zinc/10/44/06/141104406.db2.gz UCYDOJCGXZDKHJ-UHFFFAOYSA-N 1 1 332.364 1.619 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1CCO ZINC000332240440 141145311 /nfs/dbraw/zinc/14/53/11/141145311.db2.gz RLHTVCZKCNSHMK-LLVKDONJSA-N 1 1 332.360 1.215 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1CCO ZINC000332240440 141145312 /nfs/dbraw/zinc/14/53/12/141145312.db2.gz RLHTVCZKCNSHMK-LLVKDONJSA-N 1 1 332.360 1.215 20 5 EDBDMO O=C1[C@H]([N@H+]2CCC[C@@H](CO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339752610 142145432 /nfs/dbraw/zinc/14/54/32/142145432.db2.gz FHTNWRBIFMXKMS-CZUORRHYSA-N 1 1 333.388 1.795 20 5 EDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+](C2CCC2)C1 ZINC000344743750 143006079 /nfs/dbraw/zinc/00/60/79/143006079.db2.gz SKAFOISLHWANIE-LLVKDONJSA-N 1 1 333.392 1.518 20 5 EDBDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]2C(N)=O)cn1 ZINC000344984439 143035283 /nfs/dbraw/zinc/03/52/83/143035283.db2.gz HPZONDWSSSUHRK-UONOGXRCSA-N 1 1 347.350 1.168 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](F)C[C@@H]1CO ZINC000346430198 143203802 /nfs/dbraw/zinc/20/38/02/143203802.db2.gz WZRSIEIEYNLBKP-WCQYABFASA-N 1 1 325.340 1.637 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(-c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)n1 ZINC000346793061 143246305 /nfs/dbraw/zinc/24/63/05/143246305.db2.gz 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CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000369408000 281184272 /nfs/dbraw/zinc/18/42/72/281184272.db2.gz JDMXAERAYBSJRJ-QWHCGFSZSA-N 1 1 335.408 1.726 20 5 EDBDMO CN(C(=O)C[N@H+]1CC[C@@H](O)C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000292603476 289392928 /nfs/dbraw/zinc/39/29/28/289392928.db2.gz DWARSNIPLGJVMM-OAHLLOKOSA-N 1 1 333.388 1.937 20 5 EDBDMO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C[NH+]1CCOCC1 ZINC000150919702 289700887 /nfs/dbraw/zinc/70/08/87/289700887.db2.gz ABGDNPVTPNTSOV-GFCCVEGCSA-N 1 1 348.403 1.860 20 5 EDBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000293786057 303018541 /nfs/dbraw/zinc/01/85/41/303018541.db2.gz WMEHZTPZLVBABN-NSHDSACASA-N 1 1 335.408 1.583 20 5 EDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000295239381 303192803 /nfs/dbraw/zinc/19/28/03/303192803.db2.gz OVYHFOYXXOOGJY-MRXNPFEDSA-N 1 1 347.350 1.554 20 5 EDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccncc1 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XNSUXUAAVGOYGD-AWEZNQCLSA-N 1 1 338.751 1.422 20 5 EDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000436249536 305155103 /nfs/dbraw/zinc/15/51/03/305155103.db2.gz DTIPMMQZWVOKJE-INIZCTEOSA-N 1 1 329.356 1.859 20 5 EDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000436249536 305155104 /nfs/dbraw/zinc/15/51/04/305155104.db2.gz DTIPMMQZWVOKJE-INIZCTEOSA-N 1 1 329.356 1.859 20 5 EDBDMO C[N@@H+](CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C1CC1 ZINC000447810948 305285962 /nfs/dbraw/zinc/28/59/62/305285962.db2.gz BYGGOSODJKIUMI-UHFFFAOYSA-N 1 1 334.420 1.933 20 5 EDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[N@@H+](C)C1CC1 ZINC000448891565 305302955 /nfs/dbraw/zinc/30/29/55/305302955.db2.gz UFHWGTSWWWMWOI-LBPRGKRZSA-N 1 1 343.387 1.993 20 5 EDBDMO COc1cc(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000448915041 305303977 /nfs/dbraw/zinc/30/39/77/305303977.db2.gz ZHUUTRMVROSSNZ-JTQLQIEISA-N 1 1 325.340 1.766 20 5 EDBDMO CNS(=O)(=O)CCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552648 305353056 /nfs/dbraw/zinc/35/30/56/305353056.db2.gz WWISWOYLYYXTHR-AWEZNQCLSA-N 1 1 341.433 1.714 20 5 EDBDMO COc1ccc(NC(=O)CCN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451632342 305357578 /nfs/dbraw/zinc/35/75/78/305357578.db2.gz ONRROYHAFOPUGY-BLLLJJGKSA-N 1 1 348.403 1.568 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451632342 305357579 /nfs/dbraw/zinc/35/75/79/305357579.db2.gz ONRROYHAFOPUGY-BLLLJJGKSA-N 1 1 348.403 1.568 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451632342 305357580 /nfs/dbraw/zinc/35/75/80/305357580.db2.gz ONRROYHAFOPUGY-BLLLJJGKSA-N 1 1 348.403 1.568 20 5 EDBDMO COc1cc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000451661690 305360072 /nfs/dbraw/zinc/36/00/72/305360072.db2.gz ITTULAIDQAQOTF-TXEJJXNPSA-N 1 1 341.383 1.629 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](CCCO)C1 ZINC000452120205 305384091 /nfs/dbraw/zinc/38/40/91/305384091.db2.gz LURUMPMCTHVADL-ZDUSSCGKSA-N 1 1 349.387 1.987 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000452352626 305391746 /nfs/dbraw/zinc/39/17/46/305391746.db2.gz SGDDLVHZCXGXCH-ZDUSSCGKSA-N 1 1 346.387 1.653 20 5 EDBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000057720786 441131445 /nfs/dbraw/zinc/13/14/45/441131445.db2.gz GDUNUXWMOUDKKB-NWDGAFQWSA-N 1 1 348.403 1.312 20 5 EDBDMO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000104103838 441190114 /nfs/dbraw/zinc/19/01/14/441190114.db2.gz RFKJICNXCRBTSZ-JTQLQIEISA-N 1 1 333.385 1.743 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000104103838 441190116 /nfs/dbraw/zinc/19/01/16/441190116.db2.gz RFKJICNXCRBTSZ-JTQLQIEISA-N 1 1 333.385 1.743 20 5 EDBDMO C[C@@H]1CCCN1C(=O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665006 441248054 /nfs/dbraw/zinc/24/80/54/441248054.db2.gz RQBXSVUKJPDXBY-KGLIPLIRSA-N 1 1 347.419 1.877 20 5 EDBDMO CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000081553957 441287491 /nfs/dbraw/zinc/28/74/91/441287491.db2.gz OUDNZFDLLFBWIV-SECBINFHSA-N 1 1 342.783 1.501 20 5 EDBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000029220025 441451908 /nfs/dbraw/zinc/45/19/08/441451908.db2.gz SIFZAXDHIAMHBW-UHFFFAOYSA-N 1 1 348.403 1.315 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108406785 441452076 /nfs/dbraw/zinc/45/20/76/441452076.db2.gz DBQXUAHZZGVZJP-LBPRGKRZSA-N 1 1 327.406 1.523 20 5 EDBDMO COC[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000112991331 441574950 /nfs/dbraw/zinc/57/49/50/441574950.db2.gz KDFYWYWFOAZNNW-CYBMUJFWSA-N 1 1 333.388 1.842 20 5 EDBDMO COC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000112986749 441575560 /nfs/dbraw/zinc/57/55/60/441575560.db2.gz HFHTVUGHJWKIHE-LBPRGKRZSA-N 1 1 337.376 1.900 20 5 EDBDMO COC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000112986749 441575562 /nfs/dbraw/zinc/57/55/62/441575562.db2.gz HFHTVUGHJWKIHE-LBPRGKRZSA-N 1 1 337.376 1.900 20 5 EDBDMO NC(=O)[C@@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000066938861 441591045 /nfs/dbraw/zinc/59/10/45/441591045.db2.gz WZQPRSAMPOEZQF-HNNXBMFYSA-N 1 1 332.335 1.962 20 5 EDBDMO Cc1ccc(C(=O)NCC2CCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000114142405 441637229 /nfs/dbraw/zinc/63/72/29/441637229.db2.gz HISLDOPETJAIMR-UHFFFAOYSA-N 1 1 348.447 1.907 20 5 EDBDMO O=[N+]([O-])c1cc(F)ccc1NCCCCN1CC[NH+](CCO)CC1 ZINC000114450910 441657595 /nfs/dbraw/zinc/65/75/95/441657595.db2.gz XDAZKXSXNZKAME-UHFFFAOYSA-N 1 1 340.399 1.536 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000121480572 441715298 /nfs/dbraw/zinc/71/52/98/441715298.db2.gz NGCSSVDNGPRQKD-GFCCVEGCSA-N 1 1 334.376 1.361 20 5 EDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114643620 441671635 /nfs/dbraw/zinc/67/16/35/441671635.db2.gz MLEYMKIEDWHMRX-OAHLLOKOSA-N 1 1 343.387 1.572 20 5 EDBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173410897 441740239 /nfs/dbraw/zinc/74/02/39/441740239.db2.gz VLQBHYHBHRKPIQ-NSHDSACASA-N 1 1 347.824 1.963 20 5 EDBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173410897 441740245 /nfs/dbraw/zinc/74/02/45/441740245.db2.gz VLQBHYHBHRKPIQ-NSHDSACASA-N 1 1 347.824 1.963 20 5 EDBDMO Cc1ccc(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000042582161 441754518 /nfs/dbraw/zinc/75/45/18/441754518.db2.gz DANMFVHXXNNDIR-KRWDZBQOSA-N 1 1 348.447 1.905 20 5 EDBDMO CCC[N@H+](CC(=O)N(C)C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000056510919 441720663 /nfs/dbraw/zinc/72/06/63/441720663.db2.gz REOWFIACZCLUDJ-CQSZACIVSA-N 1 1 339.392 1.135 20 5 EDBDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000068095705 441728542 /nfs/dbraw/zinc/72/85/42/441728542.db2.gz SKVHAXFETVIEHI-LBPRGKRZSA-N 1 1 348.403 1.502 20 5 EDBDMO C[NH+]1CCN(C[C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000077450583 441782807 /nfs/dbraw/zinc/78/28/07/441782807.db2.gz BJWHRQHLGDPDIW-OAHLLOKOSA-N 1 1 346.431 1.694 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000146235057 441895179 /nfs/dbraw/zinc/89/51/79/441895179.db2.gz QEKZOOBFWGXIDA-XQQFMLRXSA-N 1 1 336.392 1.637 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000146235057 441895183 /nfs/dbraw/zinc/89/51/83/441895183.db2.gz QEKZOOBFWGXIDA-XQQFMLRXSA-N 1 1 336.392 1.637 20 5 EDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000120092120 442005729 /nfs/dbraw/zinc/00/57/29/442005729.db2.gz QWOWQRCBRDTVPT-ZDUSSCGKSA-N 1 1 337.376 1.064 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175220564 442019846 /nfs/dbraw/zinc/01/98/46/442019846.db2.gz OXDZILLOFRULHR-NWDGAFQWSA-N 1 1 334.376 1.509 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175220564 442019850 /nfs/dbraw/zinc/01/98/50/442019850.db2.gz OXDZILLOFRULHR-NWDGAFQWSA-N 1 1 334.376 1.509 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000162028670 442058480 /nfs/dbraw/zinc/05/84/80/442058480.db2.gz QSVVFYYPVJVCLW-UHFFFAOYSA-N 1 1 334.376 1.314 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000151806283 442123184 /nfs/dbraw/zinc/12/31/84/442123184.db2.gz MCIWOYYHAASPGW-CYBMUJFWSA-N 1 1 341.433 1.746 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000176054471 442167451 /nfs/dbraw/zinc/16/74/51/442167451.db2.gz XNPJQBVUDRFDQR-NSHDSACASA-N 1 1 345.396 1.805 20 5 EDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000176246773 442199954 /nfs/dbraw/zinc/19/99/54/442199954.db2.gz PWINCZPPKVMFGK-OAHLLOKOSA-N 1 1 343.387 1.919 20 5 EDBDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000170737944 442255306 /nfs/dbraw/zinc/25/53/06/442255306.db2.gz KEFTUESNOQYZPO-LBPRGKRZSA-N 1 1 349.387 1.939 20 5 EDBDMO CNC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000170791680 442265042 /nfs/dbraw/zinc/26/50/42/442265042.db2.gz RQMUTYIUSMKLLO-SECBINFHSA-N 1 1 342.783 1.643 20 5 EDBDMO CNC(=O)CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000170791680 442265045 /nfs/dbraw/zinc/26/50/45/442265045.db2.gz RQMUTYIUSMKLLO-SECBINFHSA-N 1 1 342.783 1.643 20 5 EDBDMO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1C[C@@H](C)O ZINC000176936591 442275582 /nfs/dbraw/zinc/27/55/82/442275582.db2.gz YSNQABQSPJFLNV-NEPJUHHUSA-N 1 1 336.392 1.094 20 5 EDBDMO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000153778080 442302096 /nfs/dbraw/zinc/30/20/96/442302096.db2.gz MMMITPOSEINZJO-GFCCVEGCSA-N 1 1 334.376 1.300 20 5 EDBDMO C[N@H+]1CCO[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000131500361 442373079 /nfs/dbraw/zinc/37/30/79/442373079.db2.gz UOSZGPDEOVVWIR-WDEREUQCSA-N 1 1 343.181 1.272 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000186065056 442456162 /nfs/dbraw/zinc/45/61/62/442456162.db2.gz FDMOETBBXOGCEN-BXUZGUMPSA-N 1 1 325.390 1.310 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000186065056 442456165 /nfs/dbraw/zinc/45/61/65/442456165.db2.gz FDMOETBBXOGCEN-BXUZGUMPSA-N 1 1 325.390 1.310 20 5 EDBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000191670436 442487340 /nfs/dbraw/zinc/48/73/40/442487340.db2.gz IHFHXXFROFWZGH-LSDHHAIUSA-N 1 1 326.397 1.025 20 5 EDBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000178953005 442536704 /nfs/dbraw/zinc/53/67/04/442536704.db2.gz XAVYSPSWMBZTLE-AWEZNQCLSA-N 1 1 341.433 1.493 20 5 EDBDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157112449 442550795 /nfs/dbraw/zinc/55/07/95/442550795.db2.gz DPCBFHPBUIUSHS-LLVKDONJSA-N 1 1 325.369 1.390 20 5 EDBDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157112449 442550801 /nfs/dbraw/zinc/55/08/01/442550801.db2.gz DPCBFHPBUIUSHS-LLVKDONJSA-N 1 1 325.369 1.390 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1OC ZINC000192470348 442650851 /nfs/dbraw/zinc/65/08/51/442650851.db2.gz BPFYWHPDLGMNRW-TXEJJXNPSA-N 1 1 349.387 1.636 20 5 EDBDMO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000157862975 442621980 /nfs/dbraw/zinc/62/19/80/442621980.db2.gz XXLHRNHXFXWYRP-SWLSCSKDSA-N 1 1 336.392 1.232 20 5 EDBDMO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000157862975 442621984 /nfs/dbraw/zinc/62/19/84/442621984.db2.gz XXLHRNHXFXWYRP-SWLSCSKDSA-N 1 1 336.392 1.232 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000173243565 442631708 /nfs/dbraw/zinc/63/17/08/442631708.db2.gz LUTMTXDTQVXASQ-DOMZBBRYSA-N 1 1 341.433 1.697 20 5 EDBDMO C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1CCO ZINC000187662641 442684607 /nfs/dbraw/zinc/68/46/07/442684607.db2.gz JHGDAAOZBXWESW-ZDUSSCGKSA-N 1 1 346.387 1.748 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000192923227 442698471 /nfs/dbraw/zinc/69/84/71/442698471.db2.gz CZQVMNNDKSIHQH-TXEJJXNPSA-N 1 1 325.390 1.085 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000193275104 442728404 /nfs/dbraw/zinc/72/84/04/442728404.db2.gz QOASAFWLEJELDJ-RYUDHWBXSA-N 1 1 327.406 1.583 20 5 EDBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182081220 442733834 /nfs/dbraw/zinc/73/38/34/442733834.db2.gz SGYBJQQPUDOWNC-ZDUSSCGKSA-N 1 1 335.360 1.736 20 5 EDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182081220 442733835 /nfs/dbraw/zinc/73/38/35/442733835.db2.gz SGYBJQQPUDOWNC-ZDUSSCGKSA-N 1 1 335.360 1.736 20 5 EDBDMO CCOC(=O)c1ccnc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000246586917 442794777 /nfs/dbraw/zinc/79/47/77/442794777.db2.gz PAONWHBGEQFUDP-DGCLKSJQSA-N 1 1 336.392 1.943 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246709319 442806108 /nfs/dbraw/zinc/80/61/08/442806108.db2.gz ZVXBMFBVFMSVFD-TZMCWYRMSA-N 1 1 341.433 1.864 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[N@H+]1C1CC1 ZINC000182350324 442759142 /nfs/dbraw/zinc/75/91/42/442759142.db2.gz TUPMCOGPHBCBIM-KOLCDFICSA-N 1 1 333.344 1.679 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000188631904 442774558 /nfs/dbraw/zinc/77/45/58/442774558.db2.gz FJCNWLWPRQKFFU-UHFFFAOYSA-N 1 1 339.392 1.610 20 5 EDBDMO Cc1cccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188650235 442779706 /nfs/dbraw/zinc/77/97/06/442779706.db2.gz ZZCBSOLNTDAABJ-ZDUSSCGKSA-N 1 1 335.404 1.820 20 5 EDBDMO Cc1cccc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188650235 442779711 /nfs/dbraw/zinc/77/97/11/442779711.db2.gz ZZCBSOLNTDAABJ-ZDUSSCGKSA-N 1 1 335.404 1.820 20 5 EDBDMO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194158956 442854368 /nfs/dbraw/zinc/85/43/68/442854368.db2.gz NMUCDMHOUBCPES-LBPRGKRZSA-N 1 1 327.406 1.748 20 5 EDBDMO COC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000265749768 442906894 /nfs/dbraw/zinc/90/68/94/442906894.db2.gz FDGUSLFLMOONAA-NWDGAFQWSA-N 1 1 337.376 1.899 20 5 EDBDMO COC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000265749768 442906901 /nfs/dbraw/zinc/90/69/01/442906901.db2.gz FDGUSLFLMOONAA-NWDGAFQWSA-N 1 1 337.376 1.899 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000268884702 443137118 /nfs/dbraw/zinc/13/71/18/443137118.db2.gz WZFBZWRUVNKQEJ-HNNXBMFYSA-N 1 1 348.403 1.346 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000185227086 443164860 /nfs/dbraw/zinc/16/48/60/443164860.db2.gz ZMNNPSZOSCEJHA-UHFFFAOYSA-N 1 1 327.406 1.451 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185285213 443176240 /nfs/dbraw/zinc/17/62/40/443176240.db2.gz XYOZYCKWIAJYED-LBPRGKRZSA-N 1 1 341.383 1.922 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]3CCC2CC3)c(Cl)c1 ZINC000191099748 443240920 /nfs/dbraw/zinc/24/09/20/443240920.db2.gz NXLIAVGIRASDBB-UHFFFAOYSA-N 1 1 345.808 1.717 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000350391643 319048417 /nfs/dbraw/zinc/04/84/17/319048417.db2.gz NKUODNFCRTXDQK-WFASDCNBSA-N 1 1 333.348 1.909 20 5 EDBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000411584565 319185864 /nfs/dbraw/zinc/18/58/64/319185864.db2.gz QGXAWSIRAUWMLJ-AWEZNQCLSA-N 1 1 348.403 1.784 20 5 EDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000411584565 319185866 /nfs/dbraw/zinc/18/58/66/319185866.db2.gz QGXAWSIRAUWMLJ-AWEZNQCLSA-N 1 1 348.403 1.784 20 5 EDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000191197773 443258167 /nfs/dbraw/zinc/25/81/67/443258167.db2.gz DEIXSPKVABOGLF-OJLVUWQFSA-N 1 1 334.372 1.902 20 5 EDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000191197773 443258173 /nfs/dbraw/zinc/25/81/73/443258173.db2.gz DEIXSPKVABOGLF-OJLVUWQFSA-N 1 1 334.372 1.902 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272497041 443340796 /nfs/dbraw/zinc/34/07/96/443340796.db2.gz WOELTOYSOYIEMT-DZGCQCFKSA-N 1 1 339.417 1.451 20 5 EDBDMO C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282567627 443376715 /nfs/dbraw/zinc/37/67/15/443376715.db2.gz ZEWBXIWSVIQEQH-LBPRGKRZSA-N 1 1 329.360 1.886 20 5 EDBDMO C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282567627 443376721 /nfs/dbraw/zinc/37/67/21/443376721.db2.gz ZEWBXIWSVIQEQH-LBPRGKRZSA-N 1 1 329.360 1.886 20 5 EDBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264611945 443347056 /nfs/dbraw/zinc/34/70/56/443347056.db2.gz IJDGABFWRAFYOT-UHFFFAOYSA-N 1 1 334.420 1.233 20 5 EDBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000272554373 443361858 /nfs/dbraw/zinc/36/18/58/443361858.db2.gz RVBHZZOQVBPHGQ-HOCLYGCPSA-N 1 1 348.428 1.875 20 5 EDBDMO CCOc1cc(N2CC[NH+](CCC(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000267170515 443366073 /nfs/dbraw/zinc/36/60/73/443366073.db2.gz BXLRRQXLIFPEJQ-UHFFFAOYSA-N 1 1 337.376 1.679 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000272679289 443407113 /nfs/dbraw/zinc/40/71/13/443407113.db2.gz VDRHEJKFSBBDCB-ABAIWWIYSA-N 1 1 347.371 1.548 20 5 EDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000278811113 443449505 /nfs/dbraw/zinc/44/95/05/443449505.db2.gz GQKLJWJVCCBAIV-OAHLLOKOSA-N 1 1 339.417 1.595 20 5 EDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000278811113 443449510 /nfs/dbraw/zinc/44/95/10/443449510.db2.gz GQKLJWJVCCBAIV-OAHLLOKOSA-N 1 1 339.417 1.595 20 5 EDBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@@H]1CCOC1 ZINC000267474156 443469538 /nfs/dbraw/zinc/46/95/38/443469538.db2.gz YVOJOELQRCDFQW-JTQLQIEISA-N 1 1 337.332 1.230 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265015631 443509483 /nfs/dbraw/zinc/50/94/83/443509483.db2.gz IAPGOVBOIWODQL-NWDGAFQWSA-N 1 1 327.406 1.656 20 5 EDBDMO COC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273014835 443519145 /nfs/dbraw/zinc/51/91/45/443519145.db2.gz JWJKHGMXGIDAQL-CHWSQXEVSA-N 1 1 338.360 1.220 20 5 EDBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(C)(C)O ZINC000265078084 443525561 /nfs/dbraw/zinc/52/55/61/443525561.db2.gz ZJEUJYUTVNYWBB-UHFFFAOYSA-N 1 1 325.365 1.635 20 5 EDBDMO CNC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283242557 443572806 /nfs/dbraw/zinc/57/28/06/443572806.db2.gz JJSONQSWFZXSDJ-AWEZNQCLSA-N 1 1 334.376 1.524 20 5 EDBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000286054692 443635957 /nfs/dbraw/zinc/63/59/57/443635957.db2.gz RFMYEWOERRKYEI-GOEBONIOSA-N 1 1 335.404 1.769 20 5 EDBDMO Cc1ccnc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000265293509 443598628 /nfs/dbraw/zinc/59/86/28/443598628.db2.gz YKBARQFNCGYRFO-OAHLLOKOSA-N 1 1 333.436 1.905 20 5 EDBDMO Cc1ccnc(NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000265301019 443600644 /nfs/dbraw/zinc/60/06/44/443600644.db2.gz ZVGLNFUGEITXBB-ZDUSSCGKSA-N 1 1 335.408 1.653 20 5 EDBDMO C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000436351366 320020179 /nfs/dbraw/zinc/02/01/79/320020179.db2.gz YZPGWURHYJXSJD-SECBINFHSA-N 1 1 334.298 1.511 20 5 EDBDMO C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000436351366 320020182 /nfs/dbraw/zinc/02/01/82/320020182.db2.gz YZPGWURHYJXSJD-SECBINFHSA-N 1 1 334.298 1.511 20 5 EDBDMO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000286190751 443665291 /nfs/dbraw/zinc/66/52/91/443665291.db2.gz RTUVSMNMBDUBQB-GFCCVEGCSA-N 1 1 333.348 1.359 20 5 EDBDMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000444368223 320128188 /nfs/dbraw/zinc/12/81/88/320128188.db2.gz SBVOIBUZYGXWIN-CYBMUJFWSA-N 1 1 335.404 1.441 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000454105562 320285159 /nfs/dbraw/zinc/28/51/59/320285159.db2.gz QJDVLFPZYGTPRC-CQSZACIVSA-N 1 1 348.403 1.783 20 5 EDBDMO CCCc1n[nH]c(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000276282110 443681322 /nfs/dbraw/zinc/68/13/22/443681322.db2.gz NBGAYIOPXLMKKW-SNVBAGLBSA-N 1 1 332.364 1.459 20 5 EDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C(N)=O ZINC000286369310 443700148 /nfs/dbraw/zinc/70/01/48/443700148.db2.gz YQVKLJCQBUXOLI-MWLCHTKSSA-N 1 1 338.339 1.116 20 5 EDBDMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000298177415 443712678 /nfs/dbraw/zinc/71/26/78/443712678.db2.gz RGFWCKVXIOAVQA-UHFFFAOYSA-N 1 1 348.403 1.704 20 5 EDBDMO CC(=O)c1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000283788081 443720118 /nfs/dbraw/zinc/72/01/18/443720118.db2.gz RKTOHUAIHRTIAL-AWEZNQCLSA-N 1 1 333.388 1.956 20 5 EDBDMO C[C@H](CO)[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000276487612 443722753 /nfs/dbraw/zinc/72/27/53/443722753.db2.gz UMQUIAGYBPZUSQ-CZUORRHYSA-N 1 1 338.404 1.960 20 5 EDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ncnn1C ZINC000276550171 443743855 /nfs/dbraw/zinc/74/38/55/443743855.db2.gz FGOLKJRNAOSXJL-GHMZBOCLSA-N 1 1 332.364 1.791 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1C ZINC000281105361 443819625 /nfs/dbraw/zinc/81/96/25/443819625.db2.gz FSVOLEDMFGYXTO-WDEREUQCSA-N 1 1 347.375 1.135 20 5 EDBDMO COC(=O)c1cnc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000292873478 443865803 /nfs/dbraw/zinc/86/58/03/443865803.db2.gz TZKRMRKAAZTFMI-INIZCTEOSA-N 1 1 334.376 1.699 20 5 EDBDMO CNC(=O)c1ccc(NC2CC[NH+](CCN(C)C)CC2)c([N+](=O)[O-])c1 ZINC000299074551 443947120 /nfs/dbraw/zinc/94/71/20/443947120.db2.gz PVEQKDYQTFJAIL-UHFFFAOYSA-N 1 1 349.435 1.392 20 5 EDBDMO C[NH+](C)CC1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000281586988 443951060 /nfs/dbraw/zinc/95/10/60/443951060.db2.gz QTAQKLONDVHUEC-UHFFFAOYSA-N 1 1 331.369 1.497 20 5 EDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000298967910 443915901 /nfs/dbraw/zinc/91/59/01/443915901.db2.gz FUQTVNLQOPPZDG-STQMWFEESA-N 1 1 347.371 1.723 20 5 EDBDMO C[N@H+]1CCC[C@@]2(CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293093769 443923033 /nfs/dbraw/zinc/92/30/33/443923033.db2.gz XGNLHINVCPQUSS-SJLPKXTDSA-N 1 1 349.431 1.752 20 5 EDBDMO CN1CCC[C@@]2(CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293093769 443923050 /nfs/dbraw/zinc/92/30/50/443923050.db2.gz XGNLHINVCPQUSS-SJLPKXTDSA-N 1 1 349.431 1.752 20 5 EDBDMO CN1CCC[C@@]2(CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293093769 443923055 /nfs/dbraw/zinc/92/30/55/443923055.db2.gz XGNLHINVCPQUSS-SJLPKXTDSA-N 1 1 349.431 1.752 20 5 EDBDMO C[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000299122801 443961272 /nfs/dbraw/zinc/96/12/72/443961272.db2.gz JQTAJDNMZQHDSF-MRXNPFEDSA-N 1 1 343.387 1.697 20 5 EDBDMO C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000299122801 443961273 /nfs/dbraw/zinc/96/12/73/443961273.db2.gz JQTAJDNMZQHDSF-MRXNPFEDSA-N 1 1 343.387 1.697 20 5 EDBDMO CCN1CCN(C(=O)[C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000285417413 443977453 /nfs/dbraw/zinc/97/74/53/443977453.db2.gz VIPIMWWOTRJGKY-HNNXBMFYSA-N 1 1 348.447 1.622 20 5 EDBDMO CCN1CCN(C(=O)[C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000285417413 443977455 /nfs/dbraw/zinc/97/74/55/443977455.db2.gz VIPIMWWOTRJGKY-HNNXBMFYSA-N 1 1 348.447 1.622 20 5 EDBDMO COCC[N@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000299245904 443994468 /nfs/dbraw/zinc/99/44/68/443994468.db2.gz PFXRWPCRRQNJTE-UHFFFAOYSA-N 1 1 347.375 1.265 20 5 EDBDMO CCC[C@@]1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281986189 444055733 /nfs/dbraw/zinc/05/57/33/444055733.db2.gz IAINYVWOYRZVBG-KRWDZBQOSA-N 1 1 348.403 1.914 20 5 EDBDMO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281986189 444055739 /nfs/dbraw/zinc/05/57/39/444055739.db2.gz IAINYVWOYRZVBG-KRWDZBQOSA-N 1 1 348.403 1.914 20 5 EDBDMO CN1C(=O)N[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000285894669 444144475 /nfs/dbraw/zinc/14/44/75/444144475.db2.gz JLNFNAUTCFNSTM-CABCVRRESA-N 1 1 334.376 1.462 20 5 EDBDMO CC[C@@H](O)C[NH+]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301469543 444173827 /nfs/dbraw/zinc/17/38/27/444173827.db2.gz IBBOEPFMNBYPBA-LLVKDONJSA-N 1 1 327.356 1.635 20 5 EDBDMO COC(=O)c1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000301668570 444184555 /nfs/dbraw/zinc/18/45/55/444184555.db2.gz NEVGSTVGHUSVLY-KBPBESRZSA-N 1 1 335.360 1.209 20 5 EDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000301745794 444188429 /nfs/dbraw/zinc/18/84/29/444188429.db2.gz OTKBIDKPNCEWPD-CYBMUJFWSA-N 1 1 339.827 1.859 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301807613 444191526 /nfs/dbraw/zinc/19/15/26/444191526.db2.gz FTRBXURBMWPJOU-CQSZACIVSA-N 1 1 336.367 1.652 20 5 EDBDMO Cn1cc(C[C@H]2CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000305170490 444262469 /nfs/dbraw/zinc/26/24/69/444262469.db2.gz JLHTZKYTLUQJKJ-DYVFJYSZSA-N 1 1 330.388 1.926 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000577339529 321642687 /nfs/dbraw/zinc/64/26/87/321642687.db2.gz FXEKAUIMGIXVLG-LBPRGKRZSA-N 1 1 344.375 1.467 20 5 EDBDMO C[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000326143104 444372688 /nfs/dbraw/zinc/37/26/88/444372688.db2.gz PYUMDYTYMKSLBP-CYBMUJFWSA-N 1 1 335.404 1.613 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000331134845 444410324 /nfs/dbraw/zinc/41/03/24/444410324.db2.gz CICZUHJQCSJNOJ-RISCZKNCSA-N 1 1 327.406 1.669 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000331134845 444410327 /nfs/dbraw/zinc/41/03/27/444410327.db2.gz CICZUHJQCSJNOJ-RISCZKNCSA-N 1 1 327.406 1.669 20 5 EDBDMO CC(C)COC[C@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298044902 444395743 /nfs/dbraw/zinc/39/57/43/444395743.db2.gz HSSZMEBGOGROCS-CQSZACIVSA-N 1 1 338.408 1.145 20 5 EDBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@H]1CC(=O)N(C)C1=O ZINC000338323191 444632537 /nfs/dbraw/zinc/63/25/37/444632537.db2.gz QMKLBBCDIOYEPD-AWEZNQCLSA-N 1 1 349.387 1.963 20 5 EDBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@H]1CC(=O)N(C)C1=O ZINC000338323191 444632540 /nfs/dbraw/zinc/63/25/40/444632540.db2.gz QMKLBBCDIOYEPD-AWEZNQCLSA-N 1 1 349.387 1.963 20 5 EDBDMO CC(C)[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(N)=O ZINC000343819823 444609840 /nfs/dbraw/zinc/60/98/40/444609840.db2.gz OEABHVIVJQLGKM-UHFFFAOYSA-N 1 1 336.348 1.089 20 5 EDBDMO C[C@@H]([NH2+]CC(=O)NCCCN1CCCC1=O)c1ccccc1[N+](=O)[O-] ZINC000342283142 444611556 /nfs/dbraw/zinc/61/15/56/444611556.db2.gz PHRBGTZGTWICNE-CYBMUJFWSA-N 1 1 348.403 1.374 20 5 EDBDMO C[C@H]1C[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[N@H+]1C ZINC000344160632 444813647 /nfs/dbraw/zinc/81/36/47/444813647.db2.gz QXELXGWAOBGOHP-LSDHHAIUSA-N 1 1 346.431 1.974 20 5 EDBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)c(Cl)c1 ZINC000344296266 444885979 /nfs/dbraw/zinc/88/59/79/444885979.db2.gz AWGCJKXWRIRITN-LLVKDONJSA-N 1 1 334.781 1.151 20 5 EDBDMO Cc1ccc(NCCCNC(=O)[C@H]2[NH2+]CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000344354152 444914806 /nfs/dbraw/zinc/91/48/06/444914806.db2.gz QKFSUBJQDYSCKD-WFASDCNBSA-N 1 1 336.392 1.198 20 5 EDBDMO Nc1cc(N)[nH+]c(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000344373925 444927071 /nfs/dbraw/zinc/92/70/71/444927071.db2.gz CLMRTPJSCBJITO-SNVBAGLBSA-N 1 1 346.372 1.447 20 5 EDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CC1 ZINC000342972675 444979354 /nfs/dbraw/zinc/97/93/54/444979354.db2.gz NNOSPRHSTBYILT-LBPRGKRZSA-N 1 1 346.387 1.605 20 5 EDBDMO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000339103549 445034564 /nfs/dbraw/zinc/03/45/64/445034564.db2.gz URRPEKGJWDMWGP-ZDUSSCGKSA-N 1 1 342.417 1.873 20 5 EDBDMO CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000339103549 445034567 /nfs/dbraw/zinc/03/45/67/445034567.db2.gz URRPEKGJWDMWGP-ZDUSSCGKSA-N 1 1 342.417 1.873 20 5 EDBDMO CC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000339183607 445077789 /nfs/dbraw/zinc/07/77/89/445077789.db2.gz CSXGFJOJQMLNKE-CQSZACIVSA-N 1 1 348.403 1.832 20 5 EDBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337553182 445134629 /nfs/dbraw/zinc/13/46/29/445134629.db2.gz RCNVOXVBSAEGJD-GOEBONIOSA-N 1 1 347.419 1.933 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCCC[C@@H]2CCO)c1 ZINC000342056052 445147414 /nfs/dbraw/zinc/14/74/14/445147414.db2.gz GSPOJCFMCFZTKE-ZBFHGGJFSA-N 1 1 338.404 1.962 20 5 EDBDMO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)[N@@H+]1C ZINC000339621477 445154398 /nfs/dbraw/zinc/15/43/98/445154398.db2.gz IAECLCKWJCZBDD-ZENOOKHLSA-N 1 1 332.404 1.725 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330830429 445158078 /nfs/dbraw/zinc/15/80/78/445158078.db2.gz JPTJPCANVCQAGP-YPMHNXCESA-N 1 1 327.406 1.717 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330830429 445158083 /nfs/dbraw/zinc/15/80/83/445158083.db2.gz JPTJPCANVCQAGP-YPMHNXCESA-N 1 1 327.406 1.717 20 5 EDBDMO Cn1c(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000345072521 445160149 /nfs/dbraw/zinc/16/01/49/445160149.db2.gz WWOINCJYJGEBAM-KGLIPLIRSA-N 1 1 328.372 1.761 20 5 EDBDMO C[N@@H+]1CC=C(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000343346737 445206555 /nfs/dbraw/zinc/20/65/55/445206555.db2.gz RCZOVCSKIBWQKT-UHFFFAOYSA-N 1 1 341.371 1.772 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000346774235 445225458 /nfs/dbraw/zinc/22/54/58/445225458.db2.gz PXJZGJOEDYOJFQ-NWDGAFQWSA-N 1 1 349.387 1.921 20 5 EDBDMO Cn1cc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000348648129 445343726 /nfs/dbraw/zinc/34/37/26/445343726.db2.gz RIDRMYCUXPWUBM-CABCVRRESA-N 1 1 332.360 1.187 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000352068058 445470006 /nfs/dbraw/zinc/47/00/06/445470006.db2.gz NAXXHODYPWLMCS-QWHCGFSZSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000352068058 445470009 /nfs/dbraw/zinc/47/00/09/445470009.db2.gz NAXXHODYPWLMCS-QWHCGFSZSA-N 1 1 341.433 1.973 20 5 EDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000357290400 445529022 /nfs/dbraw/zinc/52/90/22/445529022.db2.gz NGDBFXZICCKAQM-CQSZACIVSA-N 1 1 348.403 1.832 20 5 EDBDMO CC[N@@H+](CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C(C)C ZINC000357240911 445501512 /nfs/dbraw/zinc/50/15/12/445501512.db2.gz SDTVQMMIAFQJDE-UHFFFAOYSA-N 1 1 330.410 1.384 20 5 EDBDMO CCc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356073075 445603152 /nfs/dbraw/zinc/60/31/52/445603152.db2.gz XBTZRJPZBBQBLI-WFASDCNBSA-N 1 1 335.404 1.684 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000363404658 445790883 /nfs/dbraw/zinc/79/08/83/445790883.db2.gz NTANOJSOSFFJFD-CHWSQXEVSA-N 1 1 339.417 1.842 20 5 EDBDMO Cc1cc(C[NH+]2CCC(N(C)c3ncc([N+](=O)[O-])c(N)n3)CC2)on1 ZINC000361814391 445967707 /nfs/dbraw/zinc/96/77/07/445967707.db2.gz OKFAZSUMZVEILJ-UHFFFAOYSA-N 1 1 347.379 1.364 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369272134 446037274 /nfs/dbraw/zinc/03/72/74/446037274.db2.gz ADGSFWDYDIKYDY-AWEZNQCLSA-N 1 1 346.431 1.802 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369272134 446037276 /nfs/dbraw/zinc/03/72/76/446037276.db2.gz ADGSFWDYDIKYDY-AWEZNQCLSA-N 1 1 346.431 1.802 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000365204478 446078276 /nfs/dbraw/zinc/07/82/76/446078276.db2.gz RMUSVZBBFVDOSS-IUODEOHRSA-N 1 1 347.350 1.529 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000354284443 446080916 /nfs/dbraw/zinc/08/09/16/446080916.db2.gz WYFATFLUXZWXPF-LLVKDONJSA-N 1 1 325.390 1.418 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000354284443 446080922 /nfs/dbraw/zinc/08/09/22/446080922.db2.gz WYFATFLUXZWXPF-LLVKDONJSA-N 1 1 325.390 1.418 20 5 EDBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000362007573 446147102 /nfs/dbraw/zinc/14/71/02/446147102.db2.gz AFAKZKXTEIRJCT-MRVPVSSYSA-N 1 1 342.402 1.683 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365542361 446247172 /nfs/dbraw/zinc/24/71/72/446247172.db2.gz ZCGBOIBCIXKXGQ-RRQGHBQHSA-N 1 1 345.399 1.916 20 5 EDBDMO C[NH+]1CCN(C(=O)Cn2cc(Nc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000359504513 446264377 /nfs/dbraw/zinc/26/43/77/446264377.db2.gz CAHGETNVQVLYJA-UHFFFAOYSA-N 1 1 344.375 1.309 20 5 EDBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000376230230 446392027 /nfs/dbraw/zinc/39/20/27/446392027.db2.gz ZQCNZQJCOBYHOS-HUUCEWRRSA-N 1 1 337.351 1.405 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000411253492 446446168 /nfs/dbraw/zinc/44/61/68/446446168.db2.gz LWZHPQHFYOYCGB-STQMWFEESA-N 1 1 348.403 1.749 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000411351274 446503743 /nfs/dbraw/zinc/50/37/43/446503743.db2.gz FXVWWHWDXWZVCV-WCQYABFASA-N 1 1 334.376 1.441 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370955000 446538985 /nfs/dbraw/zinc/53/89/85/446538985.db2.gz WUTYASXDSZXSQH-XHDPSFHLSA-N 1 1 339.417 1.812 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370955000 446538994 /nfs/dbraw/zinc/53/89/94/446538994.db2.gz WUTYASXDSZXSQH-XHDPSFHLSA-N 1 1 339.417 1.812 20 5 EDBDMO C[C@H](O)CC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000411522269 446582023 /nfs/dbraw/zinc/58/20/23/446582023.db2.gz DMMHEVYOOVQJFL-LBPRGKRZSA-N 1 1 333.392 1.754 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccncc2)c1 ZINC000420459763 446638038 /nfs/dbraw/zinc/63/80/38/446638038.db2.gz LWAVVDTZNMHSBN-HNNXBMFYSA-N 1 1 348.384 1.325 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420630151 446709972 /nfs/dbraw/zinc/70/99/72/446709972.db2.gz DKRWCXXPOGXNLR-MRXNPFEDSA-N 1 1 348.447 1.957 20 5 EDBDMO COC(=O)[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000411906947 446715129 /nfs/dbraw/zinc/71/51/29/446715129.db2.gz ORISGXVBWGOBSK-CYBMUJFWSA-N 1 1 337.376 1.010 20 5 EDBDMO COC(=O)[C@@H]1CN(C)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000411906947 446715133 /nfs/dbraw/zinc/71/51/33/446715133.db2.gz ORISGXVBWGOBSK-CYBMUJFWSA-N 1 1 337.376 1.010 20 5 EDBDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000411906947 446715138 /nfs/dbraw/zinc/71/51/38/446715138.db2.gz ORISGXVBWGOBSK-CYBMUJFWSA-N 1 1 337.376 1.010 20 5 EDBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000371270170 446730782 /nfs/dbraw/zinc/73/07/82/446730782.db2.gz YCWMOKHHUVWZRW-GOEBONIOSA-N 1 1 326.356 1.817 20 5 EDBDMO CCCC(=O)N1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000371283143 446740634 /nfs/dbraw/zinc/74/06/34/446740634.db2.gz GUJPMCPIJUAEPD-UHFFFAOYSA-N 1 1 336.392 1.091 20 5 EDBDMO CCCC(=O)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000371283143 446740637 /nfs/dbraw/zinc/74/06/37/446740637.db2.gz GUJPMCPIJUAEPD-UHFFFAOYSA-N 1 1 336.392 1.091 20 5 EDBDMO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000375394614 446770508 /nfs/dbraw/zinc/77/05/08/446770508.db2.gz USBUMQFFUOMZPM-KGLIPLIRSA-N 1 1 335.408 1.687 20 5 EDBDMO C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000375394614 446770514 /nfs/dbraw/zinc/77/05/14/446770514.db2.gz USBUMQFFUOMZPM-KGLIPLIRSA-N 1 1 335.408 1.687 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000412031413 446793942 /nfs/dbraw/zinc/79/39/42/446793942.db2.gz ARGGLCHLQVWWAC-BFHYXJOUSA-N 1 1 333.388 1.935 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000412031413 446793950 /nfs/dbraw/zinc/79/39/50/446793950.db2.gz ARGGLCHLQVWWAC-BFHYXJOUSA-N 1 1 333.388 1.935 20 5 EDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c2nonc21 ZINC000371282986 446741033 /nfs/dbraw/zinc/74/10/33/446741033.db2.gz FQFZAJDFANOWMQ-WDEREUQCSA-N 1 1 333.348 1.796 20 5 EDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412052496 446817118 /nfs/dbraw/zinc/81/71/18/446817118.db2.gz YBLJXDHEEDWFIV-YESZJQIVSA-N 1 1 347.415 1.613 20 5 EDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000375481249 446833092 /nfs/dbraw/zinc/83/30/92/446833092.db2.gz FDFKOMMURZJQJI-CQSZACIVSA-N 1 1 335.404 1.443 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412079803 446837286 /nfs/dbraw/zinc/83/72/86/446837286.db2.gz LINDQAQWOYVTOG-NWDGAFQWSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412079803 446837294 /nfs/dbraw/zinc/83/72/94/446837294.db2.gz LINDQAQWOYVTOG-NWDGAFQWSA-N 1 1 337.376 1.635 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+]([C@H](C)CO)CC1 ZINC000375500166 446852826 /nfs/dbraw/zinc/85/28/26/446852826.db2.gz WZVFDCTYPIYVIF-CQSZACIVSA-N 1 1 337.420 1.882 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000371452356 446865470 /nfs/dbraw/zinc/86/54/70/446865470.db2.gz NPHZIZSHKDIFCC-CYBMUJFWSA-N 1 1 333.388 1.920 20 5 EDBDMO Cc1cc(OCC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425064018 447010740 /nfs/dbraw/zinc/01/07/40/447010740.db2.gz HBBJEWJHVGYGRZ-XJKSGUPXSA-N 1 1 333.388 1.835 20 5 EDBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000377238689 447013832 /nfs/dbraw/zinc/01/38/32/447013832.db2.gz AIKOVUXBHFIULI-MRXNPFEDSA-N 1 1 335.404 1.705 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413135182 447025382 /nfs/dbraw/zinc/02/53/82/447025382.db2.gz MIIXHCUYAMIKQM-HNNXBMFYSA-N 1 1 343.387 1.895 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444648888 447114575 /nfs/dbraw/zinc/11/45/75/447114575.db2.gz OQOAKYOSVOUFND-UHFFFAOYSA-N 1 1 347.419 1.750 20 5 EDBDMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444659818 447116147 /nfs/dbraw/zinc/11/61/47/447116147.db2.gz IDFKAMOKNJUHCP-OAHLLOKOSA-N 1 1 336.348 1.529 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000413228792 447081503 /nfs/dbraw/zinc/08/15/03/447081503.db2.gz QKIFLLVFWWXSLS-JTQLQIEISA-N 1 1 326.328 1.203 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000413228792 447081510 /nfs/dbraw/zinc/08/15/10/447081510.db2.gz QKIFLLVFWWXSLS-JTQLQIEISA-N 1 1 326.328 1.203 20 5 EDBDMO COC(=O)C1(C)C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000425372537 447129457 /nfs/dbraw/zinc/12/94/57/447129457.db2.gz KFRBHXUAFVWKQX-UHFFFAOYSA-N 1 1 344.371 1.990 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](c4nnc[nH]4)C3)n2)c1 ZINC000425528151 447213881 /nfs/dbraw/zinc/21/38/81/447213881.db2.gz CFZHIIFHSDRKRJ-NSHDSACASA-N 1 1 341.331 1.752 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](c4nnc[nH]4)C3)n2)c1 ZINC000425528151 447213884 /nfs/dbraw/zinc/21/38/84/447213884.db2.gz CFZHIIFHSDRKRJ-NSHDSACASA-N 1 1 341.331 1.752 20 5 EDBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000425503912 447199169 /nfs/dbraw/zinc/19/91/69/447199169.db2.gz UCZHEBBHKDTZOZ-CYBMUJFWSA-N 1 1 330.348 1.122 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000425503912 447199172 /nfs/dbraw/zinc/19/91/72/447199172.db2.gz UCZHEBBHKDTZOZ-CYBMUJFWSA-N 1 1 330.348 1.122 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000377624083 447252072 /nfs/dbraw/zinc/25/20/72/447252072.db2.gz FUDRITHNXHHNIT-TZMCWYRMSA-N 1 1 346.387 1.300 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425542265 447219993 /nfs/dbraw/zinc/21/99/93/447219993.db2.gz HAJNQYYZSCGSMH-GFCCVEGCSA-N 1 1 344.375 1.839 20 5 EDBDMO Cc1ccc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416569484 447651735 /nfs/dbraw/zinc/65/17/35/447651735.db2.gz YLGAPPVDDTZYPI-ZDUSSCGKSA-N 1 1 341.433 1.913 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000450952578 447632324 /nfs/dbraw/zinc/63/23/24/447632324.db2.gz IOPRNOPWPTWFDM-JTQLQIEISA-N 1 1 331.319 1.699 20 5 EDBDMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000428524184 447705709 /nfs/dbraw/zinc/70/57/09/447705709.db2.gz IRKNHSOLDAOIOR-LBPRGKRZSA-N 1 1 331.332 1.137 20 5 EDBDMO Cn1ccnc1C(=O)c1ccc(NCC(F)(F)C[NH3+])c([N+](=O)[O-])c1 ZINC000420239588 447682841 /nfs/dbraw/zinc/68/28/41/447682841.db2.gz MCAGVZISLLQGSU-UHFFFAOYSA-N 1 1 339.302 1.565 20 5 EDBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000458155850 447730443 /nfs/dbraw/zinc/73/04/43/447730443.db2.gz AYHQUHKVJWUCOS-GFCCVEGCSA-N 1 1 349.387 1.828 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452093049 447815043 /nfs/dbraw/zinc/81/50/43/447815043.db2.gz GALRSDBPQTWXPZ-ZDUSSCGKSA-N 1 1 327.406 1.698 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452072707 447810421 /nfs/dbraw/zinc/81/04/21/447810421.db2.gz XONLNOVQDGWEEL-SRVKXCTJSA-N 1 1 337.376 1.633 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452072707 447810425 /nfs/dbraw/zinc/81/04/25/447810425.db2.gz XONLNOVQDGWEEL-SRVKXCTJSA-N 1 1 337.376 1.633 20 5 EDBDMO C[C@@H]1C[C@@H](O)C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000452072855 447810536 /nfs/dbraw/zinc/81/05/36/447810536.db2.gz WFNKVVUEFJPANG-DGCLKSJQSA-N 1 1 335.360 1.596 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000569738347 447880026 /nfs/dbraw/zinc/88/00/26/447880026.db2.gz AZSLUEVLHWAREB-INIZCTEOSA-N 1 1 335.404 1.770 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000523352831 447881392 /nfs/dbraw/zinc/88/13/92/447881392.db2.gz DZUYCDCUCXFOET-LBPRGKRZSA-N 1 1 349.387 1.826 20 5 EDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000553460921 447994693 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1.885 20 5 EDBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000595342850 450055554 /nfs/dbraw/zinc/05/55/54/450055554.db2.gz AFASZMCPVHYEOO-UHFFFAOYSA-N 1 1 345.396 1.590 20 5 EDBDMO Cc1noc(CN(C)CC(C)(C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000595399272 450112975 /nfs/dbraw/zinc/11/29/75/450112975.db2.gz YRKSXUKVEHDVRE-UHFFFAOYSA-N 1 1 326.397 1.681 20 5 EDBDMO CNc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000597584080 450127221 /nfs/dbraw/zinc/12/72/21/450127221.db2.gz XFZKKKHEHAMPPJ-CHWSQXEVSA-N 1 1 336.367 1.895 20 5 EDBDMO O=C(C[N@H+]1CCC[C@@H](CCO)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610213896 450154333 /nfs/dbraw/zinc/15/43/33/450154333.db2.gz YYIFSERJXGXSBI-ZDUSSCGKSA-N 1 1 333.388 1.578 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@@H](CCO)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610213896 450154337 /nfs/dbraw/zinc/15/43/37/450154337.db2.gz YYIFSERJXGXSBI-ZDUSSCGKSA-N 1 1 333.388 1.578 20 5 EDBDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595461145 450157825 /nfs/dbraw/zinc/15/78/25/450157825.db2.gz MDEWPVXAKUQIFC-IUODEOHRSA-N 1 1 342.367 1.580 20 5 EDBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595461145 450157834 /nfs/dbraw/zinc/15/78/34/450157834.db2.gz MDEWPVXAKUQIFC-IUODEOHRSA-N 1 1 342.367 1.580 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000618344312 450164759 /nfs/dbraw/zinc/16/47/59/450164759.db2.gz LRZSYZCDIIECEN-NWDGAFQWSA-N 1 1 331.376 1.429 20 5 EDBDMO Cc1noc(C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)c1[N+](=O)[O-] ZINC000595535281 450214570 /nfs/dbraw/zinc/21/45/70/450214570.db2.gz WLFYCATXYGEGCD-UHFFFAOYSA-N 1 1 334.376 1.661 20 5 EDBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@]1(CO)COCC[NH2+]1 ZINC000603419683 450293086 /nfs/dbraw/zinc/29/30/86/450293086.db2.gz PKGCXURDIRZRFH-LBPRGKRZSA-N 1 1 335.282 1.376 20 5 EDBDMO COC(=O)c1cc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000155104636 533729857 /nfs/dbraw/zinc/72/98/57/533729857.db2.gz MYMNASBVMOLPSF-PHIMTYICSA-N 1 1 335.360 1.546 20 5 EDBDMO COC(=O)c1cc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000155104636 533729866 /nfs/dbraw/zinc/72/98/66/533729866.db2.gz MYMNASBVMOLPSF-PHIMTYICSA-N 1 1 335.360 1.546 20 5 EDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000582206963 517737650 /nfs/dbraw/zinc/73/76/50/517737650.db2.gz DOSDNEKAVGNDEF-UHFFFAOYSA-N 1 1 345.359 1.679 20 5 EDBDMO O=C(NCC[N@@H+]1CCc2sccc2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187001160 534342974 /nfs/dbraw/zinc/34/29/74/534342974.db2.gz SQNANUCIEJUUCT-UHFFFAOYSA-N 1 1 348.384 1.545 20 5 EDBDMO O=C(NCC[N@H+]1CCc2sccc2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187001160 534342983 /nfs/dbraw/zinc/34/29/83/534342983.db2.gz SQNANUCIEJUUCT-UHFFFAOYSA-N 1 1 348.384 1.545 20 5 EDBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178199615 529148035 /nfs/dbraw/zinc/14/80/35/529148035.db2.gz IJJJJPUECUCUOR-CYBMUJFWSA-N 1 1 349.435 1.180 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC[N@@H+]1C[C@H](C)O ZINC000246925754 535839958 /nfs/dbraw/zinc/83/99/58/535839958.db2.gz QXEOQEHATSSAPF-WCQYABFASA-N 1 1 336.392 1.215 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC[N@H+]1C[C@H](C)O ZINC000246925754 535839966 /nfs/dbraw/zinc/83/99/66/535839966.db2.gz QXEOQEHATSSAPF-WCQYABFASA-N 1 1 336.392 1.215 20 5 EDBDMO O=C(CCOc1cccc([N+](=O)[O-])c1)OCCC[NH+]1CCOCC1 ZINC000750882267 579785619 /nfs/dbraw/zinc/78/56/19/579785619.db2.gz RPUIBPFYDKTUAZ-UHFFFAOYSA-N 1 1 338.360 1.629 20 5 EDBDMO C/C(=C\C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752550029 579861272 /nfs/dbraw/zinc/86/12/72/579861272.db2.gz FYDWRJLFBYNLNI-ABDJAZHISA-N 1 1 345.399 1.931 20 5 EDBDMO CC(=O)OC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000753189900 579874545 /nfs/dbraw/zinc/87/45/45/579874545.db2.gz ZWBUQTJTIDZVQW-UHFFFAOYSA-N 1 1 336.344 1.989 20 5 EDBDMO Cc1[nH+]ccn1CCCOC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000767629661 580195633 /nfs/dbraw/zinc/19/56/33/580195633.db2.gz RVPBMNDIDYTGNO-UHFFFAOYSA-N 1 1 347.327 1.925 20 5 EDBDMO COC(=O)C[C@@]1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCCOC1 ZINC000770712634 580268975 /nfs/dbraw/zinc/26/89/75/580268975.db2.gz ZTAVRYYRJAMBMR-HNNXBMFYSA-N 1 1 326.324 1.936 20 5 EDBDMO COc1ccc(NC(=O)CC[NH+]2CC(O)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000773895263 580348762 /nfs/dbraw/zinc/34/87/62/580348762.db2.gz HKGSYURMPHMJDN-UHFFFAOYSA-N 1 1 337.376 1.635 20 5 EDBDMO C/C(=C\C(=O)N1CC[NH+](C[C@H](C)O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000779189925 580480807 /nfs/dbraw/zinc/48/08/07/580480807.db2.gz NKKNTVBSPGUZDT-CMPYXILNSA-N 1 1 333.388 1.523 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC000784593662 580624671 /nfs/dbraw/zinc/62/46/71/580624671.db2.gz JKZSBINBVRGSRL-MRXNPFEDSA-N 1 1 336.388 1.757 20 5 EDBDMO COC(=O)[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)[C@H]1C ZINC000787248229 580690599 /nfs/dbraw/zinc/69/05/99/580690599.db2.gz WPFPYDJGBAORRZ-AAEUAGOBSA-N 1 1 345.359 1.694 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)[C@H]1C ZINC000787248229 580690600 /nfs/dbraw/zinc/69/06/00/580690600.db2.gz WPFPYDJGBAORRZ-AAEUAGOBSA-N 1 1 345.359 1.694 20 5 EDBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000794621799 580899983 /nfs/dbraw/zinc/89/99/83/580899983.db2.gz YPCFHCJCHWRBPP-NSHDSACASA-N 1 1 333.344 1.961 20 5 EDBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000794621799 580899984 /nfs/dbraw/zinc/89/99/84/580899984.db2.gz YPCFHCJCHWRBPP-NSHDSACASA-N 1 1 333.344 1.961 20 5 EDBDMO CN1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000893876725 591125587 /nfs/dbraw/zinc/12/55/87/591125587.db2.gz QPMGMUITYIVRLE-UHFFFAOYSA-N 1 1 349.435 1.026 20 5 EDBDMO Cn1c2ccccc2c(SC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1=O ZINC000894334540 591281941 /nfs/dbraw/zinc/28/19/41/591281941.db2.gz CQQDGYUANVAHNF-LLVKDONJSA-N 1 1 349.412 1.869 20 5 EDBDMO Cn1c2ccccc2c(SC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1=O ZINC000894334540 591281944 /nfs/dbraw/zinc/28/19/44/591281944.db2.gz CQQDGYUANVAHNF-LLVKDONJSA-N 1 1 349.412 1.869 20 5 EDBDMO O=[N+]([O-])c1cc(CO)c(NC[C@H]2CC[N@H+]2C2CCOCC2)cc1F ZINC000896525925 591494279 /nfs/dbraw/zinc/49/42/79/591494279.db2.gz RDVZMGMEZAODIR-CYBMUJFWSA-N 1 1 339.367 1.891 20 5 EDBDMO C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000902987783 592094238 /nfs/dbraw/zinc/09/42/38/592094238.db2.gz JVNFARIUMBYVFI-AWEZNQCLSA-N 1 1 348.403 1.722 20 5 EDBDMO C[N@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000902987783 592094241 /nfs/dbraw/zinc/09/42/41/592094241.db2.gz JVNFARIUMBYVFI-AWEZNQCLSA-N 1 1 348.403 1.722 20 5 EDBDMO CCc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000903208336 592138499 /nfs/dbraw/zinc/13/84/99/592138499.db2.gz HWNUCYAEQFDIPW-ZDUSSCGKSA-N 1 1 339.417 1.626 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)c1 ZINC000903210058 592138903 /nfs/dbraw/zinc/13/89/03/592138903.db2.gz ICCNPNQJRUOKJG-ZDUSSCGKSA-N 1 1 339.417 1.680 20 5 EDBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906387579 592815311 /nfs/dbraw/zinc/81/53/11/592815311.db2.gz AFCXXOMLGDKCNO-UHFFFAOYSA-N 1 1 348.447 1.825 20 5 EDBDMO C[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000912031374 593050394 /nfs/dbraw/zinc/05/03/94/593050394.db2.gz UCNQHJPQCHTDKY-CYBMUJFWSA-N 1 1 337.424 1.715 20 5 EDBDMO NC(=O)C[C@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000808226681 593242805 /nfs/dbraw/zinc/24/28/05/593242805.db2.gz HHSANKCTENCCLG-GFCCVEGCSA-N 1 1 329.360 1.613 20 5 EDBDMO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000840023040 593383710 /nfs/dbraw/zinc/38/37/10/593383710.db2.gz KMRQMWRACYKLST-IAGOWNOFSA-N 1 1 347.371 1.602 20 5 EDBDMO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000840023040 593383713 /nfs/dbraw/zinc/38/37/13/593383713.db2.gz KMRQMWRACYKLST-IAGOWNOFSA-N 1 1 347.371 1.602 20 5 EDBDMO C[C@@H]1CC[C@H](O)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000817288001 593589376 /nfs/dbraw/zinc/58/93/76/593589376.db2.gz GKXWBCXFDPKCKK-PWSUYJOCSA-N 1 1 325.340 1.908 20 5 EDBDMO COC(=O)[C@@H]1CN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000840361651 593700601 /nfs/dbraw/zinc/70/06/01/593700601.db2.gz ZAAHDZBGPLWUES-ZDUSSCGKSA-N 1 1 335.360 1.338 20 5 EDBDMO COC(=O)[C@@H]1CN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840361651 593700602 /nfs/dbraw/zinc/70/06/02/593700602.db2.gz ZAAHDZBGPLWUES-ZDUSSCGKSA-N 1 1 335.360 1.338 20 5 EDBDMO Nc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000823933302 593889951 /nfs/dbraw/zinc/88/99/51/593889951.db2.gz OJUAWXCLRYHGRI-LBPRGKRZSA-N 1 1 337.380 1.145 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000822438129 594049118 /nfs/dbraw/zinc/04/91/18/594049118.db2.gz 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CNS(=O)(=O)NC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000291247588 289024994 /nfs/dbraw/zinc/02/49/94/289024994.db2.gz VOFURYJBRIIEHH-LLVKDONJSA-N 1 1 342.421 1.174 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc2O1 ZINC000292493915 289363185 /nfs/dbraw/zinc/36/31/85/289363185.db2.gz TZDRLPGVXWTQIU-SWLSCSKDSA-N 1 1 332.360 1.435 20 5 EDBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+](CCO)CC2)c1 ZINC000293391632 302957572 /nfs/dbraw/zinc/95/75/72/302957572.db2.gz GYOPJCOYMVBFRF-UHFFFAOYSA-N 1 1 333.310 1.724 20 5 EDBDMO Cn1cc(C[N@@H+]2CCOC[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294808871 303147879 /nfs/dbraw/zinc/14/78/79/303147879.db2.gz NPGBHPXALCCCKJ-HNNXBMFYSA-N 1 1 332.360 1.188 20 5 EDBDMO Cn1cc(C[N@H+]2CCOC[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294808871 303147882 /nfs/dbraw/zinc/14/78/82/303147882.db2.gz NPGBHPXALCCCKJ-HNNXBMFYSA-N 1 1 332.360 1.188 20 5 EDBDMO CC1(C)C[C@H](O)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295964296 303286804 /nfs/dbraw/zinc/28/68/04/303286804.db2.gz HYNGFTSQEOQEMJ-ZIAGYGMSSA-N 1 1 338.404 1.817 20 5 EDBDMO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000297003565 303352992 /nfs/dbraw/zinc/35/29/92/303352992.db2.gz GCLGEDAFOPSDOF-AAEUAGOBSA-N 1 1 339.417 1.671 20 5 EDBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000297003565 303352994 /nfs/dbraw/zinc/35/29/94/303352994.db2.gz GCLGEDAFOPSDOF-AAEUAGOBSA-N 1 1 339.417 1.671 20 5 EDBDMO CCC(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+]1CCOCC1 ZINC000298887289 303565318 /nfs/dbraw/zinc/56/53/18/303565318.db2.gz NXUGNKIGGZNIPH-CQSZACIVSA-N 1 1 338.408 1.790 20 5 EDBDMO CCCNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301615641 303686414 /nfs/dbraw/zinc/68/64/14/303686414.db2.gz BQINWNCTQYVRSK-UHFFFAOYSA-N 1 1 335.408 1.701 20 5 EDBDMO CN(CC[NH+]1CCCC1)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301882002 303701698 /nfs/dbraw/zinc/70/16/98/303701698.db2.gz KNOOMZRGBNUDKG-UHFFFAOYSA-N 1 1 327.406 1.530 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000430646409 305061120 /nfs/dbraw/zinc/06/11/20/305061120.db2.gz PGPJUZHXRXFAGF-LBPRGKRZSA-N 1 1 336.392 1.603 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000430732279 305063598 /nfs/dbraw/zinc/06/35/98/305063598.db2.gz ZMQLNRMJIGYPSL-NSHDSACASA-N 1 1 344.375 1.491 20 5 EDBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000435042130 305135179 /nfs/dbraw/zinc/13/51/79/305135179.db2.gz LTUZPTVXLCLXFZ-UEICXMAYSA-N 1 1 344.371 1.672 20 5 EDBDMO COC(=O)[C@H](O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000441265744 305219941 /nfs/dbraw/zinc/21/99/41/305219941.db2.gz UFWRVFBECOOGMK-OAHLLOKOSA-N 1 1 338.360 1.349 20 5 EDBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443784925 305241287 /nfs/dbraw/zinc/24/12/87/305241287.db2.gz CNFATQTZXDCPLM-OAHLLOKOSA-N 1 1 339.417 1.593 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)C1CCOCC1 ZINC000444772158 305252743 /nfs/dbraw/zinc/25/27/43/305252743.db2.gz USYSKGLWPWCQBV-UHFFFAOYSA-N 1 1 337.376 1.315 20 5 EDBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]12 ZINC000449524855 305312807 /nfs/dbraw/zinc/31/28/07/305312807.db2.gz SMJBPPVFJRCBBK-BETUJISGSA-N 1 1 341.323 1.559 20 5 EDBDMO COC(=O)c1cnc(NC[C@H]2CCC[N@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450595680 305330285 /nfs/dbraw/zinc/33/02/85/305330285.db2.gz MIOMUDMPGGNYGK-GFCCVEGCSA-N 1 1 338.364 1.035 20 5 EDBDMO C[C@@H]1[C@@H](O)CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000451465723 305348082 /nfs/dbraw/zinc/34/80/82/305348082.db2.gz XLSMCXRTNAZVCQ-RISCZKNCSA-N 1 1 335.360 1.738 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]21 ZINC000451627186 305357135 /nfs/dbraw/zinc/35/71/35/305357135.db2.gz XHGPNFBUVAAKMU-DOMZBBRYSA-N 1 1 346.387 1.529 20 5 EDBDMO CN1CC[C@@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]21 ZINC000451627186 305357136 /nfs/dbraw/zinc/35/71/36/305357136.db2.gz XHGPNFBUVAAKMU-DOMZBBRYSA-N 1 1 346.387 1.529 20 5 EDBDMO CN1CC[C@@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]21 ZINC000451627186 305357137 /nfs/dbraw/zinc/35/71/37/305357137.db2.gz XHGPNFBUVAAKMU-DOMZBBRYSA-N 1 1 346.387 1.529 20 5 EDBDMO COc1ccc2c(c1)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000451643804 305358729 /nfs/dbraw/zinc/35/87/29/305358729.db2.gz RCSVKKIIIXYAKI-AWEZNQCLSA-N 1 1 348.359 1.055 20 5 EDBDMO COc1ccc2c(c1)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000451643804 305358730 /nfs/dbraw/zinc/35/87/30/305358730.db2.gz RCSVKKIIIXYAKI-AWEZNQCLSA-N 1 1 348.359 1.055 20 5 EDBDMO COC(=O)[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccccc1 ZINC000452007863 305377827 /nfs/dbraw/zinc/37/78/27/305377827.db2.gz RMXCIUKEVOKFEJ-CVEARBPZSA-N 1 1 344.371 1.680 20 5 EDBDMO COc1c(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cccc1[N+](=O)[O-] ZINC000452387269 305396816 /nfs/dbraw/zinc/39/68/16/305396816.db2.gz ZPZYMUSQDMUCSF-GFCCVEGCSA-N 1 1 337.376 1.180 20 5 EDBDMO O=[N+]([O-])c1cncc(Br)c1N[C@H]1CCn2cc[nH+]c2C1 ZINC000489947361 305567023 /nfs/dbraw/zinc/56/70/23/305567023.db2.gz PHWJYVGSXHSIKX-QMMMGPOBSA-N 1 1 338.165 1.798 20 5 EDBDMO Cn1nccc1[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000378311107 447417187 /nfs/dbraw/zinc/41/71/87/447417187.db2.gz KKJIANZLNGRFGV-CYBMUJFWSA-N 1 1 331.376 1.370 20 5 EDBDMO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000046035069 441071414 /nfs/dbraw/zinc/07/14/14/441071414.db2.gz GDWMBNKFAZICPW-GFCCVEGCSA-N 1 1 341.433 1.913 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000070871477 441124448 /nfs/dbraw/zinc/12/44/48/441124448.db2.gz QPSKMSHPIIFWGM-CYBMUJFWSA-N 1 1 344.375 1.390 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000061159916 441266476 /nfs/dbraw/zinc/26/64/76/441266476.db2.gz IAWUKACGZKPNGE-OLZOCXBDSA-N 1 1 337.424 1.869 20 5 EDBDMO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000081553961 441287869 /nfs/dbraw/zinc/28/78/69/441287869.db2.gz MHEPCSWJBYZRJM-VIFPVBQESA-N 1 1 342.783 1.501 20 5 EDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000081553961 441287873 /nfs/dbraw/zinc/28/78/73/441287873.db2.gz MHEPCSWJBYZRJM-VIFPVBQESA-N 1 1 342.783 1.501 20 5 EDBDMO CC(C)[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000025136814 441330900 /nfs/dbraw/zinc/33/09/00/441330900.db2.gz SHPLZNWDOWGBLT-UHFFFAOYSA-N 1 1 335.360 1.532 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000074106171 441394742 /nfs/dbraw/zinc/39/47/42/441394742.db2.gz LUKGXDWBFZBNPR-GFCCVEGCSA-N 1 1 337.376 1.444 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083445142 441361240 /nfs/dbraw/zinc/36/12/40/441361240.db2.gz AECNYYPTYWLCMH-NSHDSACASA-N 1 1 344.375 1.920 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)n1C ZINC000083715212 441369698 /nfs/dbraw/zinc/36/96/98/441369698.db2.gz SONUKIQTKZTGFO-UHFFFAOYSA-N 1 1 332.364 1.394 20 5 EDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000074298172 441418077 /nfs/dbraw/zinc/41/80/77/441418077.db2.gz HQSACLBTCBCOLA-CQSZACIVSA-N 1 1 349.435 1.717 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000108403753 441451632 /nfs/dbraw/zinc/45/16/32/441451632.db2.gz DSPNAKWUIACDMS-NSHDSACASA-N 1 1 343.380 1.497 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000089992605 441610744 /nfs/dbraw/zinc/61/07/44/441610744.db2.gz PDBLVEFRFCGAIU-LLVKDONJSA-N 1 1 327.406 1.656 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067151959 441611086 /nfs/dbraw/zinc/61/10/86/441611086.db2.gz BPEPLSKTZSWHAQ-GFCCVEGCSA-N 1 1 346.391 1.636 20 5 EDBDMO CCN1CC[NH+](CCCNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000041443715 441655472 /nfs/dbraw/zinc/65/54/72/441655472.db2.gz BOVUXTCBSOUPKG-UHFFFAOYSA-N 1 1 349.435 1.394 20 5 EDBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000173427875 441746856 /nfs/dbraw/zinc/74/68/56/441746856.db2.gz IKNPHEPVDBBYSA-UHFFFAOYSA-N 1 1 345.421 1.150 20 5 EDBDMO Cc1ccnc(NCCCCN2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000115518187 441750319 /nfs/dbraw/zinc/75/03/19/441750319.db2.gz PPHIJTZXKNFIQO-UHFFFAOYSA-N 1 1 337.424 1.100 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173532045 441781639 /nfs/dbraw/zinc/78/16/39/441781639.db2.gz IJYBGBYDZQKTGD-CQSZACIVSA-N 1 1 337.401 1.538 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000092765776 441826345 /nfs/dbraw/zinc/82/63/45/441826345.db2.gz XDQUKVBZIUYYRF-UONOGXRCSA-N 1 1 335.404 1.969 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000092765776 441826353 /nfs/dbraw/zinc/82/63/53/441826353.db2.gz XDQUKVBZIUYYRF-UONOGXRCSA-N 1 1 335.404 1.969 20 5 EDBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173718099 441828614 /nfs/dbraw/zinc/82/86/14/441828614.db2.gz UAWGSSRLEAPHQQ-UHFFFAOYSA-N 1 1 348.447 1.622 20 5 EDBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173718099 441828620 /nfs/dbraw/zinc/82/86/20/441828620.db2.gz UAWGSSRLEAPHQQ-UHFFFAOYSA-N 1 1 348.447 1.622 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2n[nH]cc2C1 ZINC000118853077 441907443 /nfs/dbraw/zinc/90/74/43/441907443.db2.gz OOYXDSLHLPUHHE-UHFFFAOYSA-N 1 1 345.359 1.713 20 5 EDBDMO CC[N@H+](Cc1cnn(C)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000161111853 441959806 /nfs/dbraw/zinc/95/98/06/441959806.db2.gz RSHFWUFVUOJSOX-HNNXBMFYSA-N 1 1 334.376 1.590 20 5 EDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000175362650 442049793 /nfs/dbraw/zinc/04/97/93/442049793.db2.gz OTZJQOWOTWZIOZ-UHFFFAOYSA-N 1 1 329.422 1.913 20 5 EDBDMO CN(CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000079578453 442064302 /nfs/dbraw/zinc/06/43/02/442064302.db2.gz ZJDYHNRBCZBDIW-UONOGXRCSA-N 1 1 332.404 1.774 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000151875962 442133514 /nfs/dbraw/zinc/13/35/14/442133514.db2.gz JQVPPXBLZCBQFJ-CMPLNLGQSA-N 1 1 346.387 1.583 20 5 EDBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000121338550 442205283 /nfs/dbraw/zinc/20/52/83/442205283.db2.gz IPDGOPTWDFLABJ-AWEZNQCLSA-N 1 1 334.376 1.332 20 5 EDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000121338550 442205284 /nfs/dbraw/zinc/20/52/84/442205284.db2.gz IPDGOPTWDFLABJ-AWEZNQCLSA-N 1 1 334.376 1.332 20 5 EDBDMO C[N@@H+](CC1(O)CCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000152356984 442201867 /nfs/dbraw/zinc/20/18/67/442201867.db2.gz GJNMUTZZGLZRND-OAHLLOKOSA-N 1 1 333.388 1.937 20 5 EDBDMO C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000129919237 442335463 /nfs/dbraw/zinc/33/54/63/442335463.db2.gz FHXISNMZDSWWPW-CYBMUJFWSA-N 1 1 343.387 1.354 20 5 EDBDMO C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+]1CCc2ccccc2C1 ZINC000129919237 442335465 /nfs/dbraw/zinc/33/54/65/442335465.db2.gz FHXISNMZDSWWPW-CYBMUJFWSA-N 1 1 343.387 1.354 20 5 EDBDMO COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000177217298 442314590 /nfs/dbraw/zinc/31/45/90/442314590.db2.gz DAMVMLASTUCVPH-CJNGLKHVSA-N 1 1 335.404 1.756 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000131686219 442377793 /nfs/dbraw/zinc/37/77/93/442377793.db2.gz XDOMTRIZJIVONJ-ZDUSSCGKSA-N 1 1 328.390 1.660 20 5 EDBDMO C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000154809198 442357971 /nfs/dbraw/zinc/35/79/71/442357971.db2.gz RIDTYADYFKTAJV-BZNIZROVSA-N 1 1 348.403 1.618 20 5 EDBDMO C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000154809198 442357974 /nfs/dbraw/zinc/35/79/74/442357974.db2.gz RIDTYADYFKTAJV-BZNIZROVSA-N 1 1 348.403 1.618 20 5 EDBDMO CCNC(=O)NC(=O)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130965651 442361496 /nfs/dbraw/zinc/36/14/96/442361496.db2.gz MTLVXMLSMBQPCB-NSHDSACASA-N 1 1 334.376 1.793 20 5 EDBDMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130965651 442361498 /nfs/dbraw/zinc/36/14/98/442361498.db2.gz MTLVXMLSMBQPCB-NSHDSACASA-N 1 1 334.376 1.793 20 5 EDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000134194688 442456807 /nfs/dbraw/zinc/45/68/07/442456807.db2.gz MFTDZQMDDCKBNM-NSHDSACASA-N 1 1 325.340 1.432 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000156572471 442496332 /nfs/dbraw/zinc/49/63/32/442496332.db2.gz JEBOBLVIQDEAQW-HNNXBMFYSA-N 1 1 337.376 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000156572471 442496338 /nfs/dbraw/zinc/49/63/38/442496338.db2.gz JEBOBLVIQDEAQW-HNNXBMFYSA-N 1 1 337.376 1.635 20 5 EDBDMO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000156365225 442473337 /nfs/dbraw/zinc/47/33/37/442473337.db2.gz RMRODTJOYSQLQT-CYBMUJFWSA-N 1 1 334.376 1.334 20 5 EDBDMO CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000156365225 442473342 /nfs/dbraw/zinc/47/33/42/442473342.db2.gz RMRODTJOYSQLQT-CYBMUJFWSA-N 1 1 334.376 1.334 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000187443763 442677187 /nfs/dbraw/zinc/67/71/87/442677187.db2.gz WJPZYYIQONWRPC-IAQYHMDHSA-N 1 1 348.403 1.818 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H](O)CC(F)(F)F)C2)nc1 ZINC000248958047 442940338 /nfs/dbraw/zinc/94/03/38/442940338.db2.gz FZYVFOGFKGVPHQ-ONGXEEELSA-N 1 1 334.298 1.789 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000249004283 442944380 /nfs/dbraw/zinc/94/43/80/442944380.db2.gz ZFGIDCQOJUHPHZ-CHWSQXEVSA-N 1 1 339.392 1.295 20 5 EDBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000194756672 442950764 /nfs/dbraw/zinc/95/07/64/442950764.db2.gz QJWVTLQARWLLRH-CYBMUJFWSA-N 1 1 329.360 1.570 20 5 EDBDMO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000194756672 442950770 /nfs/dbraw/zinc/95/07/70/442950770.db2.gz QJWVTLQARWLLRH-CYBMUJFWSA-N 1 1 329.360 1.570 20 5 EDBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000194756672 442950773 /nfs/dbraw/zinc/95/07/73/442950773.db2.gz QJWVTLQARWLLRH-CYBMUJFWSA-N 1 1 329.360 1.570 20 5 EDBDMO COCCC[N@H+](CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000189921407 443028971 /nfs/dbraw/zinc/02/89/71/443028971.db2.gz NXGUZBLWIVXDPV-UHFFFAOYSA-N 1 1 336.348 1.476 20 5 EDBDMO COCCC[N@@H+](CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000189921407 443028975 /nfs/dbraw/zinc/02/89/75/443028975.db2.gz NXGUZBLWIVXDPV-UHFFFAOYSA-N 1 1 336.348 1.476 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000266185616 443049830 /nfs/dbraw/zinc/04/98/30/443049830.db2.gz CVDJQLOEBRZBHT-RYUDHWBXSA-N 1 1 347.371 1.868 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000266185616 443049834 /nfs/dbraw/zinc/04/98/34/443049834.db2.gz CVDJQLOEBRZBHT-RYUDHWBXSA-N 1 1 347.371 1.868 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000266216917 443061705 /nfs/dbraw/zinc/06/17/05/443061705.db2.gz KXBGKKPHIVGZTP-VXGBXAGGSA-N 1 1 346.387 1.603 20 5 EDBDMO O=c1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c2c(ccc3ccccc32)o1 ZINC000184724374 443066719 /nfs/dbraw/zinc/06/67/19/443066719.db2.gz YRKXDAWYZSSBTP-CABCVRRESA-N 1 1 325.364 1.874 20 5 EDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)Cc1ccc(F)cc1 ZINC000185241545 443167862 /nfs/dbraw/zinc/16/78/62/443167862.db2.gz YGBZNAOAGMZWQR-UHFFFAOYSA-N 1 1 347.350 1.573 20 5 EDBDMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000299405533 318900023 /nfs/dbraw/zinc/90/00/23/318900023.db2.gz SNAPNWHGQVTUCG-CYBMUJFWSA-N 1 1 348.403 1.784 20 5 EDBDMO C[C@@H](O)C[N@@H+](C)C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000357612990 319112255 /nfs/dbraw/zinc/11/22/55/319112255.db2.gz MOEHNLVEMDYZMH-SNVBAGLBSA-N 1 1 339.421 1.585 20 5 EDBDMO COCC(COC)[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000411867700 319209845 /nfs/dbraw/zinc/20/98/45/319209845.db2.gz XLPDNVCSNQTFEZ-CQSZACIVSA-N 1 1 337.420 1.935 20 5 EDBDMO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246208756 443279140 /nfs/dbraw/zinc/27/91/40/443279140.db2.gz XFSXPDKANFQWAF-TZMCWYRMSA-N 1 1 347.419 1.923 20 5 EDBDMO C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246208756 443279142 /nfs/dbraw/zinc/27/91/42/443279142.db2.gz XFSXPDKANFQWAF-TZMCWYRMSA-N 1 1 347.419 1.923 20 5 EDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000264511128 443311671 /nfs/dbraw/zinc/31/16/71/443311671.db2.gz XTXGZHBLNWKVBJ-OAHLLOKOSA-N 1 1 333.436 1.905 20 5 EDBDMO COc1ccc(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272447519 443320557 /nfs/dbraw/zinc/32/05/57/443320557.db2.gz MBWSUMJEPNDUCX-DZGCQCFKSA-N 1 1 348.403 1.839 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000269640243 443375631 /nfs/dbraw/zinc/37/56/31/443375631.db2.gz JTAAQBBEPHFIBX-GXTWGEPZSA-N 1 1 338.360 1.362 20 5 EDBDMO O=C(NCCC[NH+]1CCOCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272515866 443347220 /nfs/dbraw/zinc/34/72/20/443347220.db2.gz KRRHLBPBCGKBNT-UHFFFAOYSA-N 1 1 343.330 1.525 20 5 EDBDMO COc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1OC ZINC000272557257 443363068 /nfs/dbraw/zinc/36/30/68/443363068.db2.gz DONSDWAXUMJGGO-RISCZKNCSA-N 1 1 349.387 1.778 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272566213 443366262 /nfs/dbraw/zinc/36/62/62/443366262.db2.gz FINFSJNNEFFXDI-HZMBPMFUSA-N 1 1 334.332 1.669 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCOCCO ZINC000282545258 443370005 /nfs/dbraw/zinc/37/00/05/443370005.db2.gz RGZAIHYGEKZBNU-UHFFFAOYSA-N 1 1 325.365 1.173 20 5 EDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1[NH+]1CCOCC1 ZINC000267577951 443503046 /nfs/dbraw/zinc/50/30/46/443503046.db2.gz YJEYTMIYPOEEDS-GWCFXTLKSA-N 1 1 333.348 1.288 20 5 EDBDMO Cc1cccc([C@@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000273025042 443522421 /nfs/dbraw/zinc/52/24/21/443522421.db2.gz BCFWLCBLONEDOB-NVXWUHKLSA-N 1 1 330.388 1.950 20 5 EDBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000267655830 443529549 /nfs/dbraw/zinc/52/95/49/443529549.db2.gz CMPXCTRRDINONZ-DZGCQCFKSA-N 1 1 349.435 1.509 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272276419 443576554 /nfs/dbraw/zinc/57/65/54/443576554.db2.gz CFWNQGBPZZPTBL-FZMZJTMJSA-N 1 1 332.360 1.086 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000452102596 320241801 /nfs/dbraw/zinc/24/18/01/320241801.db2.gz IJUMOZIRTPTQJH-LLVKDONJSA-N 1 1 345.396 1.837 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000457092262 320319353 /nfs/dbraw/zinc/31/93/53/320319353.db2.gz WVQKGUIADSEIAE-OAHLLOKOSA-N 1 1 348.403 1.266 20 5 EDBDMO COc1ccc(OCC[N@@H+](CCOCCO)C(C)C)c([N+](=O)[O-])c1 ZINC000283813282 443728727 /nfs/dbraw/zinc/72/87/27/443728727.db2.gz XWSCCTXZENCWGU-UHFFFAOYSA-N 1 1 342.392 1.702 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000298681422 443837380 /nfs/dbraw/zinc/83/73/80/443837380.db2.gz RYBCTYSDHMAGPY-UHFFFAOYSA-N 1 1 348.403 1.704 20 5 EDBDMO COC(=O)c1cnc(NC[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000276846092 443850224 /nfs/dbraw/zinc/85/02/24/443850224.db2.gz XEVHHGIRQHFQMM-LLVKDONJSA-N 1 1 338.364 1.157 20 5 EDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000281058828 443807084 /nfs/dbraw/zinc/80/70/84/443807084.db2.gz JSWHRJXWKNYKNN-KRWDZBQOSA-N 1 1 348.403 1.690 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281074356 443811435 /nfs/dbraw/zinc/81/14/35/443811435.db2.gz AZULKJNMNRDKIS-LBPRGKRZSA-N 1 1 327.406 1.700 20 5 EDBDMO O=c1[nH]ccc2c1C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000277015889 443890285 /nfs/dbraw/zinc/89/02/85/443890285.db2.gz YYCUZJQPQOPQJZ-CQSZACIVSA-N 1 1 345.355 1.493 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)O1 ZINC000299360292 444026614 /nfs/dbraw/zinc/02/66/14/444026614.db2.gz XUOBRGIKQNRTAM-FRRDWIJNSA-N 1 1 337.376 1.902 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)O1 ZINC000299360292 444026621 /nfs/dbraw/zinc/02/66/21/444026621.db2.gz XUOBRGIKQNRTAM-FRRDWIJNSA-N 1 1 337.376 1.902 20 5 EDBDMO Cc1cc(OCC(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000285714430 444082656 /nfs/dbraw/zinc/08/26/56/444082656.db2.gz JJPNJHINONABGM-HOTGVXAUSA-N 1 1 349.387 1.214 20 5 EDBDMO C[C@]1(C[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)NC(=O)NC1=O ZINC000289271802 444092553 /nfs/dbraw/zinc/09/25/53/444092553.db2.gz GJHUOFMMGWBYFA-XJKSGUPXSA-N 1 1 332.360 1.547 20 5 EDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000571923235 321406558 /nfs/dbraw/zinc/40/65/58/321406558.db2.gz QLQGBGROEFZNSK-CQSZACIVSA-N 1 1 325.296 1.097 20 5 EDBDMO COC(=O)c1cc(NC[C@H](C)[N@@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301253452 444158631 /nfs/dbraw/zinc/15/86/31/444158631.db2.gz SILZDJDGIURCPS-NWDGAFQWSA-N 1 1 337.376 1.903 20 5 EDBDMO COC(=O)c1cc(NC[C@H](C)[N@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301253452 444158632 /nfs/dbraw/zinc/15/86/32/444158632.db2.gz SILZDJDGIURCPS-NWDGAFQWSA-N 1 1 337.376 1.903 20 5 EDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301340516 444165433 /nfs/dbraw/zinc/16/54/33/444165433.db2.gz DUNBXZLIJLGUEP-CQSZACIVSA-N 1 1 342.421 1.019 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000289812196 444206612 /nfs/dbraw/zinc/20/66/12/444206612.db2.gz NYXRZRKLVKAXQS-CYBMUJFWSA-N 1 1 336.392 1.999 20 5 EDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301483183 444174349 /nfs/dbraw/zinc/17/43/49/444174349.db2.gz XQTXPJQWJOERDG-LBPRGKRZSA-N 1 1 333.392 1.765 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(c2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302824400 444226215 /nfs/dbraw/zinc/22/62/15/444226215.db2.gz WVOOKZHVIIFENB-NSHDSACASA-N 1 1 325.340 1.808 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(c2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302824400 444226217 /nfs/dbraw/zinc/22/62/17/444226217.db2.gz WVOOKZHVIIFENB-NSHDSACASA-N 1 1 325.340 1.808 20 5 EDBDMO CC(C)([NH3+])c1noc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000319704220 444325668 /nfs/dbraw/zinc/32/56/68/444325668.db2.gz UDLZRWHFVVUFKZ-UHFFFAOYSA-N 1 1 326.334 1.146 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000321945247 444338117 /nfs/dbraw/zinc/33/81/17/444338117.db2.gz LCMZQOVGJGTTTH-VXGBXAGGSA-N 1 1 339.779 1.841 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000298054903 444399683 /nfs/dbraw/zinc/39/96/83/444399683.db2.gz FRBHUHJBYPUNAK-FZMZJTMJSA-N 1 1 337.376 1.777 20 5 EDBDMO CN(CCc1cccc([N+](=O)[O-])c1)c1cc[nH+]c(N2CCOCC2)n1 ZINC000337841803 444432872 /nfs/dbraw/zinc/43/28/72/444432872.db2.gz ZSXYFVXBEBQULY-UHFFFAOYSA-N 1 1 343.387 1.900 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000332570814 444519504 /nfs/dbraw/zinc/51/95/04/444519504.db2.gz DFXBXLPOFNFWKM-ZDUSSCGKSA-N 1 1 339.417 1.680 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000340860482 444547985 /nfs/dbraw/zinc/54/79/85/444547985.db2.gz SKALIXQZBSHGIY-VXGBXAGGSA-N 1 1 325.413 1.665 20 5 EDBDMO COC[C@H]1C[C@H](OC)C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000344366260 444922441 /nfs/dbraw/zinc/92/24/41/444922441.db2.gz LONDCXMPYIMVRO-OCCSQVGLSA-N 1 1 340.376 1.718 20 5 EDBDMO CC[N@H+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000341781235 444999070 /nfs/dbraw/zinc/99/90/70/444999070.db2.gz VBVXZDRBWXZBOD-LBPRGKRZSA-N 1 1 349.387 1.461 20 5 EDBDMO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000339039447 445001820 /nfs/dbraw/zinc/00/18/20/445001820.db2.gz DCNSAPLTLPJQMA-SNVBAGLBSA-N 1 1 341.389 1.118 20 5 EDBDMO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000339039447 445001825 /nfs/dbraw/zinc/00/18/25/445001825.db2.gz DCNSAPLTLPJQMA-SNVBAGLBSA-N 1 1 341.389 1.118 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)[N@@H+](C)C1 ZINC000344496112 445011168 /nfs/dbraw/zinc/01/11/68/445011168.db2.gz LFGSIVICPTZFSD-DZGCQCFKSA-N 1 1 337.376 1.151 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2C[C@@H](OC)C[N@@H+]2C)c1 ZINC000344500771 445014991 /nfs/dbraw/zinc/01/49/91/445014991.db2.gz ALACQJLVVSZCNH-DGCLKSJQSA-N 1 1 337.376 1.395 20 5 EDBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337336989 445037980 /nfs/dbraw/zinc/03/79/80/445037980.db2.gz OESNOEDHCKYMBL-NEPJUHHUSA-N 1 1 334.376 1.509 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000330775542 445135689 /nfs/dbraw/zinc/13/56/89/445135689.db2.gz HOVDQFFXDAPQMP-LBPRGKRZSA-N 1 1 327.406 1.605 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000343215868 445143749 /nfs/dbraw/zinc/14/37/49/445143749.db2.gz NRIDNLABTFLJPR-ZDUSSCGKSA-N 1 1 336.392 1.861 20 5 EDBDMO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC(=O)N1C ZINC000343445268 445224167 /nfs/dbraw/zinc/22/41/67/445224167.db2.gz DIKPYXRSQXSZFF-HZMBPMFUSA-N 1 1 335.389 1.451 20 5 EDBDMO COC(=O)c1cc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000343495597 445233923 /nfs/dbraw/zinc/23/39/23/445233923.db2.gz GUUNTTJNSLHBDP-HZMBPMFUSA-N 1 1 335.360 1.594 20 5 EDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000354514073 445273150 /nfs/dbraw/zinc/27/31/50/445273150.db2.gz OVMLFZHVOLCZMJ-ZDUSSCGKSA-N 1 1 332.404 1.981 20 5 EDBDMO C[C@@H]1C[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@H+]1C ZINC000352308160 445519254 /nfs/dbraw/zinc/51/92/54/445519254.db2.gz XCHGTWMHOJPHOG-CABCVRRESA-N 1 1 346.431 1.974 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000362812076 445560431 /nfs/dbraw/zinc/56/04/31/445560431.db2.gz AEKVNSXQNYOAQX-CVEARBPZSA-N 1 1 333.388 1.507 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1C ZINC000357324303 445548072 /nfs/dbraw/zinc/54/80/72/445548072.db2.gz POADWYSKVNKLEP-RYUDHWBXSA-N 1 1 331.376 1.429 20 5 EDBDMO CC[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1C[C@@H](C)O ZINC000357324749 445548765 /nfs/dbraw/zinc/54/87/65/445548765.db2.gz RQGGXXUYMDKFMH-OLZOCXBDSA-N 1 1 345.403 1.819 20 5 EDBDMO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000360219710 445636035 /nfs/dbraw/zinc/63/60/35/445636035.db2.gz LVGBRHSRKMDADA-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO CC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000360219710 445636040 /nfs/dbraw/zinc/63/60/40/445636040.db2.gz LVGBRHSRKMDADA-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000353626010 445681417 /nfs/dbraw/zinc/68/14/17/445681417.db2.gz WVYFFYDBMFNCMB-CYBMUJFWSA-N 1 1 331.376 1.519 20 5 EDBDMO Nc1c(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000363117518 445685270 /nfs/dbraw/zinc/68/52/70/445685270.db2.gz HYZWKVDSRWPRHN-ZLKJLUDKSA-N 1 1 348.378 1.872 20 5 EDBDMO Cn1ccnc1[C@H]([NH2+]CCCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000353679505 445704674 /nfs/dbraw/zinc/70/46/74/445704674.db2.gz HAHNCAOUCZALKG-OAHLLOKOSA-N 1 1 334.376 1.406 20 5 EDBDMO COC(=O)COc1ccc(CNC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000353761875 445743589 /nfs/dbraw/zinc/74/35/89/445743589.db2.gz FGDLIFFOFAWVTI-ZDUSSCGKSA-N 1 1 337.376 1.330 20 5 EDBDMO COC(=O)COc1ccc(CNC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000353761875 445743593 /nfs/dbraw/zinc/74/35/93/445743593.db2.gz FGDLIFFOFAWVTI-ZDUSSCGKSA-N 1 1 337.376 1.330 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000361575146 445827369 /nfs/dbraw/zinc/82/73/69/445827369.db2.gz AULBHIISZSMEBB-IUODEOHRSA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000361575146 445827373 /nfs/dbraw/zinc/82/73/73/445827373.db2.gz AULBHIISZSMEBB-IUODEOHRSA-N 1 1 337.376 1.313 20 5 EDBDMO NC(=O)c1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363414788 445795000 /nfs/dbraw/zinc/79/50/00/445795000.db2.gz RKWUZUHZALAIOQ-MJBXVCDLSA-N 1 1 330.388 1.614 20 5 EDBDMO O=[N+]([O-])c1cnccc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000359094867 445942105 /nfs/dbraw/zinc/94/21/05/445942105.db2.gz LPHNKYKHHCBXFM-OAHLLOKOSA-N 1 1 328.372 1.590 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000369092331 445925327 /nfs/dbraw/zinc/92/53/27/445925327.db2.gz BOLVCECLGNFKMC-IYBDPMFKSA-N 1 1 341.415 1.892 20 5 EDBDMO CCOc1cc(C[N@H+]2CC[C@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000365051428 445994573 /nfs/dbraw/zinc/99/45/73/445994573.db2.gz HHUWNOYAORZEPC-HNNXBMFYSA-N 1 1 335.404 1.900 20 5 EDBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369247484 446019876 /nfs/dbraw/zinc/01/98/76/446019876.db2.gz CEPNNHXZVILWJK-CQSZACIVSA-N 1 1 347.419 1.885 20 5 EDBDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369247484 446019880 /nfs/dbraw/zinc/01/98/80/446019880.db2.gz CEPNNHXZVILWJK-CQSZACIVSA-N 1 1 347.419 1.885 20 5 EDBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000365115977 446036468 /nfs/dbraw/zinc/03/64/68/446036468.db2.gz XQVRCCGZHUGMBH-CQSZACIVSA-N 1 1 329.360 1.727 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000365115977 446036472 /nfs/dbraw/zinc/03/64/72/446036472.db2.gz XQVRCCGZHUGMBH-CQSZACIVSA-N 1 1 329.360 1.727 20 5 EDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000373311334 446159434 /nfs/dbraw/zinc/15/94/34/446159434.db2.gz PRCQWOKXMSZPAJ-TZMCWYRMSA-N 1 1 349.391 1.177 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000362022432 446159710 /nfs/dbraw/zinc/15/97/10/446159710.db2.gz MJTIUDXVOVQWLB-ZFWWWQNUSA-N 1 1 339.417 1.451 20 5 EDBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359348795 446166588 /nfs/dbraw/zinc/16/65/88/446166588.db2.gz VHFZLPMANUNPQU-CYBMUJFWSA-N 1 1 333.392 1.543 20 5 EDBDMO CCc1nn(C)c(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000362010012 446148423 /nfs/dbraw/zinc/14/84/23/446148423.db2.gz MDMAMZUUGJCHIR-CYBMUJFWSA-N 1 1 336.440 1.107 20 5 EDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365537907 446245367 /nfs/dbraw/zinc/24/53/67/446245367.db2.gz LWWRSQCWXXADBO-LZWOXQAQSA-N 1 1 344.415 1.949 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000359594589 446310446 /nfs/dbraw/zinc/31/04/46/446310446.db2.gz QLRKRCPVMOAJPS-CYBMUJFWSA-N 1 1 337.376 1.362 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000370560704 446332908 /nfs/dbraw/zinc/33/29/08/446332908.db2.gz DVKNTXXZKVJOPG-BXUZGUMPSA-N 1 1 335.360 1.664 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000411239473 446438314 /nfs/dbraw/zinc/43/83/14/446438314.db2.gz FZUMEFZFONTICB-UHFFFAOYSA-N 1 1 336.392 1.607 20 5 EDBDMO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000374866147 446423916 /nfs/dbraw/zinc/42/39/16/446423916.db2.gz UOUAZMUXMVABKS-YLFCFFPRSA-N 1 1 345.399 1.754 20 5 EDBDMO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000374866147 446423919 /nfs/dbraw/zinc/42/39/19/446423919.db2.gz UOUAZMUXMVABKS-YLFCFFPRSA-N 1 1 345.399 1.754 20 5 EDBDMO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000374866147 446423923 /nfs/dbraw/zinc/42/39/23/446423923.db2.gz UOUAZMUXMVABKS-YLFCFFPRSA-N 1 1 345.399 1.754 20 5 EDBDMO C[C@H](CS(C)(=O)=O)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411269130 446458029 /nfs/dbraw/zinc/45/80/29/446458029.db2.gz VQPKTNPZPNICQW-LLVKDONJSA-N 1 1 343.405 1.288 20 5 EDBDMO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411269130 446458034 /nfs/dbraw/zinc/45/80/34/446458034.db2.gz VQPKTNPZPNICQW-LLVKDONJSA-N 1 1 343.405 1.288 20 5 EDBDMO CN(C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420343757 446515800 /nfs/dbraw/zinc/51/58/00/446515800.db2.gz RELMXOKWTGRNCW-LSDHHAIUSA-N 1 1 346.431 1.879 20 5 EDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@@H+](CCN(C)C)CC1 ZINC000367945609 446613967 /nfs/dbraw/zinc/61/39/67/446613967.db2.gz RFAUTSCYGKTFOU-UHFFFAOYSA-N 1 1 334.420 1.871 20 5 EDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@H+](CCN(C)C)CC1 ZINC000367945609 446613971 /nfs/dbraw/zinc/61/39/71/446613971.db2.gz RFAUTSCYGKTFOU-UHFFFAOYSA-N 1 1 334.420 1.871 20 5 EDBDMO COC(=O)COc1ccc(C[NH2+]C(C)(C)CN(C)C)cc1[N+](=O)[O-] 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CC[N@@H+](CCNC(=O)Cn1ccc([N+](=O)[O-])n1)CCC(F)(F)F ZINC000427280113 447574875 /nfs/dbraw/zinc/57/48/75/447574875.db2.gz IAXFHQZABJVZQN-UHFFFAOYSA-N 1 1 337.302 1.182 20 5 EDBDMO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000495820522 447593693 /nfs/dbraw/zinc/59/36/93/447593693.db2.gz YGGMUVBPOQUWTC-CYBMUJFWSA-N 1 1 339.396 1.780 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@H](O)[C@@H](CO)C3)cs2)c1 ZINC000459714903 447749830 /nfs/dbraw/zinc/74/98/30/447749830.db2.gz UHGWZZAOXDQOIN-RISCZKNCSA-N 1 1 335.385 1.503 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@H](O)[C@@H](CO)C3)cs2)c1 ZINC000459714903 447749832 /nfs/dbraw/zinc/74/98/32/447749832.db2.gz UHGWZZAOXDQOIN-RISCZKNCSA-N 1 1 335.385 1.503 20 5 EDBDMO Nc1nc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)ncc1[N+](=O)[O-] ZINC000431392859 447801592 /nfs/dbraw/zinc/80/15/92/447801592.db2.gz PGRBJZQSWMMFQL-JTQLQIEISA-N 1 1 329.364 1.494 20 5 EDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H](C)C1 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EDBDMO O=C(C[N@H+]1CC[C@H](O)CC12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591480106 448377208 /nfs/dbraw/zinc/37/72/08/448377208.db2.gz AKYKFUBPJFXDPD-HNNXBMFYSA-N 1 1 345.399 1.863 20 5 EDBDMO O=C(C[N@@H+]1CC[C@H](O)CC12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591480106 448377217 /nfs/dbraw/zinc/37/72/17/448377217.db2.gz AKYKFUBPJFXDPD-HNNXBMFYSA-N 1 1 345.399 1.863 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CCC[C@@]23CCNC3=O)c([N+](=O)[O-])c1 ZINC000583092137 448423409 /nfs/dbraw/zinc/42/34/09/448423409.db2.gz GUUMWERXQHCLJR-INIZCTEOSA-N 1 1 335.360 1.337 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC[C@@]23CCNC3=O)c([N+](=O)[O-])c1 ZINC000583092137 448423412 /nfs/dbraw/zinc/42/34/12/448423412.db2.gz GUUMWERXQHCLJR-INIZCTEOSA-N 1 1 335.360 1.337 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000567109730 448615820 /nfs/dbraw/zinc/61/58/20/448615820.db2.gz IWOHFJKCEPQPNY-AWEZNQCLSA-N 1 1 332.404 1.510 20 5 EDBDMO CCc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000592053935 448650834 /nfs/dbraw/zinc/65/08/34/448650834.db2.gz LQCHXURAAKXRMI-IUODEOHRSA-N 1 1 339.417 1.482 20 5 EDBDMO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000592127740 448698353 /nfs/dbraw/zinc/69/83/53/448698353.db2.gz OFRDVPIKEAJXGV-DGCLKSJQSA-N 1 1 335.360 1.583 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000592127740 448698357 /nfs/dbraw/zinc/69/83/57/448698357.db2.gz OFRDVPIKEAJXGV-DGCLKSJQSA-N 1 1 335.360 1.583 20 5 EDBDMO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592156327 448716849 /nfs/dbraw/zinc/71/68/49/448716849.db2.gz YHVCJVOYBQCRKK-OAHLLOKOSA-N 1 1 343.387 1.430 20 5 EDBDMO O=[N+]([O-])c1cc(F)c(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000586768183 448805386 /nfs/dbraw/zinc/80/53/86/448805386.db2.gz ZAWIQDDFWKWGSW-LLVKDONJSA-N 1 1 327.331 1.780 20 5 EDBDMO CCOC(=O)c1ccnc(N[C@@H]2CCc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC000588067682 448866317 /nfs/dbraw/zinc/86/63/17/448866317.db2.gz IMYSNBMYOVAICE-SNVBAGLBSA-N 1 1 331.332 1.790 20 5 EDBDMO NS(=O)(=O)c1cccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000568684580 448905040 /nfs/dbraw/zinc/90/50/40/448905040.db2.gz XJENJKVKILRHFG-JTQLQIEISA-N 1 1 340.405 1.138 20 5 EDBDMO CCCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592833319 449009188 /nfs/dbraw/zinc/00/91/88/449009188.db2.gz YLUXGMSKFRJAJQ-OAHLLOKOSA-N 1 1 348.403 1.267 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@](C)(C(=O)OC)C2)c1 ZINC000589503685 449026815 /nfs/dbraw/zinc/02/68/15/449026815.db2.gz SSOPJHNHEPBVGD-MRXNPFEDSA-N 1 1 336.344 1.766 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@](C)(C(=O)OC)C2)c1 ZINC000589503681 449027244 /nfs/dbraw/zinc/02/72/44/449027244.db2.gz SSOPJHNHEPBVGD-INIZCTEOSA-N 1 1 336.344 1.766 20 5 EDBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522287645 449074522 /nfs/dbraw/zinc/07/45/22/449074522.db2.gz AQAFKEODZYUREQ-LBPRGKRZSA-N 1 1 334.376 1.510 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c2c(c1)COCO2 ZINC000595613062 449079781 /nfs/dbraw/zinc/07/97/81/449079781.db2.gz ZMQYHLSOTZXCBT-GFCCVEGCSA-N 1 1 345.359 1.575 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000589928216 449082409 /nfs/dbraw/zinc/08/24/09/449082409.db2.gz DUWMDIASJBWDFS-GXTWGEPZSA-N 1 1 339.417 1.536 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000595632389 449090891 /nfs/dbraw/zinc/09/08/91/449090891.db2.gz FMLNQNCHPZSISF-XRGAULLZSA-N 1 1 336.388 1.427 20 5 EDBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595678111 449115725 /nfs/dbraw/zinc/11/57/25/449115725.db2.gz QPBLSPZUGHTOKU-RBSFLKMASA-N 1 1 338.404 1.817 20 5 EDBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1CCO ZINC000595701171 449123964 /nfs/dbraw/zinc/12/39/64/449123964.db2.gz QXBWHTBATKIDCX-KMFMINBZSA-N 1 1 338.404 1.817 20 5 EDBDMO CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[N@@H+](C)C1 ZINC000597945558 449154671 /nfs/dbraw/zinc/15/46/71/449154671.db2.gz IDAXFBOMRFTAHK-HNNXBMFYSA-N 1 1 343.387 1.947 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595739934 449140818 /nfs/dbraw/zinc/14/08/18/449140818.db2.gz LMOFJRYZSRWNAY-OCCSQVGLSA-N 1 1 346.387 1.442 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595739934 449140824 /nfs/dbraw/zinc/14/08/24/449140824.db2.gz LMOFJRYZSRWNAY-OCCSQVGLSA-N 1 1 346.387 1.442 20 5 EDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1=CCCOC1 ZINC000595752951 449147857 /nfs/dbraw/zinc/14/78/57/449147857.db2.gz NNSNEEUXCDMLDC-UHFFFAOYSA-N 1 1 331.372 1.762 20 5 EDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1=CCCOC1 ZINC000595752951 449147862 /nfs/dbraw/zinc/14/78/62/449147862.db2.gz NNSNEEUXCDMLDC-UHFFFAOYSA-N 1 1 331.372 1.762 20 5 EDBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[NH+](CCCF)CC1 ZINC000600076057 449174539 /nfs/dbraw/zinc/17/45/39/449174539.db2.gz KHQDTKXYOSLBQY-UHFFFAOYSA-N 1 1 345.321 1.919 20 5 EDBDMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3c([N+](=O)[O-])cnn3C)C2)cc1 ZINC000601881125 449203721 /nfs/dbraw/zinc/20/37/21/449203721.db2.gz RLRLTBQDVUNLED-AWEZNQCLSA-N 1 1 343.387 1.641 20 5 EDBDMO O=C(CC[N@@H+]1CCc2nccnc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595862979 449214614 /nfs/dbraw/zinc/21/46/14/449214614.db2.gz LANMOAXTJABYLQ-UHFFFAOYSA-N 1 1 327.344 1.772 20 5 EDBDMO O=C(CC[N@H+]1CCc2nccnc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595862979 449214623 /nfs/dbraw/zinc/21/46/23/449214623.db2.gz LANMOAXTJABYLQ-UHFFFAOYSA-N 1 1 327.344 1.772 20 5 EDBDMO CNS(=O)(=O)c1ccc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000611256799 449240569 /nfs/dbraw/zinc/24/05/69/449240569.db2.gz GTHSINYBLCOHFW-GHMZBOCLSA-N 1 1 342.421 1.032 20 5 EDBDMO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)CO ZINC000595871992 449223694 /nfs/dbraw/zinc/22/36/94/449223694.db2.gz JHQZKNKBCWOPEX-PXAZEXFGSA-N 1 1 333.388 1.434 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)CO ZINC000595871992 449223700 /nfs/dbraw/zinc/22/37/00/449223700.db2.gz JHQZKNKBCWOPEX-PXAZEXFGSA-N 1 1 333.388 1.434 20 5 EDBDMO C[N@@H+](CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)CC(C)(C)C ZINC000602100538 449345245 /nfs/dbraw/zinc/34/52/45/449345245.db2.gz CTLDMANCSXULLT-CYBMUJFWSA-N 1 1 349.435 1.981 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596233243 449430797 /nfs/dbraw/zinc/43/07/97/449430797.db2.gz BMVWBUZRDPPTPJ-UHFFFAOYSA-N 1 1 337.424 1.013 20 5 EDBDMO CN(CCCN(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1)CC[NH+](C)C ZINC000596233243 449430804 /nfs/dbraw/zinc/43/08/04/449430804.db2.gz BMVWBUZRDPPTPJ-UHFFFAOYSA-N 1 1 337.424 1.013 20 5 EDBDMO Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c([N+](=O)[O-])s1 ZINC000596167640 449393931 /nfs/dbraw/zinc/39/39/31/449393931.db2.gz FSSIVSNGAVIQBO-LBPRGKRZSA-N 1 1 338.433 1.708 20 5 EDBDMO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000600622616 449464045 /nfs/dbraw/zinc/46/40/45/449464045.db2.gz JSZWUEGODSDCQL-KWCYVHTRSA-N 1 1 348.403 1.549 20 5 EDBDMO CNc1nccc(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598559787 449466515 /nfs/dbraw/zinc/46/65/15/449466515.db2.gz ZLOATONSQWFYFT-ZDUSSCGKSA-N 1 1 347.419 1.883 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598593411 449481411 /nfs/dbraw/zinc/48/14/11/449481411.db2.gz STNXWKNVIJUMME-LLVKDONJSA-N 1 1 338.364 1.299 20 5 EDBDMO CSc1cccc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594394175 449490930 /nfs/dbraw/zinc/49/09/30/449490930.db2.gz UOKHWRODYDUSCY-WDEREUQCSA-N 1 1 337.401 1.208 20 5 EDBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594294978 449436033 /nfs/dbraw/zinc/43/60/33/449436033.db2.gz HRHPLOSGAYFFOO-UHFFFAOYSA-N 1 1 349.435 2.156 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000612030433 449527936 /nfs/dbraw/zinc/52/79/36/449527936.db2.gz HDILVIJBGVJZRW-CABCVRRESA-N 1 1 346.387 1.868 20 5 EDBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000594475466 449540054 /nfs/dbraw/zinc/54/00/54/449540054.db2.gz WDFMTCYPOMLTBI-UHFFFAOYSA-N 1 1 342.421 1.485 20 5 EDBDMO CC(C)Oc1nc(N2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000594565675 449576659 /nfs/dbraw/zinc/57/66/59/449576659.db2.gz MTVCHZZOIRATOH-ZDUSSCGKSA-N 1 1 336.392 1.688 20 5 EDBDMO Cc1c(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000596634832 449580172 /nfs/dbraw/zinc/58/01/72/449580172.db2.gz DGKJFGHYFTWDEB-AWEZNQCLSA-N 1 1 348.403 1.966 20 5 EDBDMO COc1ccc(C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000612104336 449563416 /nfs/dbraw/zinc/56/34/16/449563416.db2.gz NMBREKKCKOPMJC-AWEZNQCLSA-N 1 1 347.371 1.870 20 5 EDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2nncn2C)CC1 ZINC000594611530 449594317 /nfs/dbraw/zinc/59/43/17/449594317.db2.gz GYWHVANVQGPBON-UVTDQMKNSA-N 1 1 342.403 1.949 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601032713 449664215 /nfs/dbraw/zinc/66/42/15/449664215.db2.gz ZZNACEDNHPDOTR-UHFFFAOYSA-N 1 1 335.404 1.711 20 5 EDBDMO C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCOCC1 ZINC000602549782 449667600 /nfs/dbraw/zinc/66/76/00/449667600.db2.gz DUWKEGNNUYHAAX-LBPRGKRZSA-N 1 1 334.376 1.794 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCc4cn[nH]c4C3)CC2)cn1 ZINC000602566974 449677921 /nfs/dbraw/zinc/67/79/21/449677921.db2.gz FYTATGMLIUEKQD-CQSZACIVSA-N 1 1 342.403 1.829 20 5 EDBDMO C[C@@H](CC[NH+]1CCN(C)CC1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602619796 449709827 /nfs/dbraw/zinc/70/98/27/449709827.db2.gz RZSMEZOOCYSCID-ZDUSSCGKSA-N 1 1 347.419 1.852 20 5 EDBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599069182 449717190 /nfs/dbraw/zinc/71/71/90/449717190.db2.gz BPEGHQCIKUYNEM-OBJOEFQTSA-N 1 1 329.360 1.271 20 5 EDBDMO O=[N+]([O-])c1cncc(Cl)c1N1CCC([NH+]2CCOCC2)CC1 ZINC000599104722 449735600 /nfs/dbraw/zinc/73/56/00/449735600.db2.gz NIFIOOUMOGTZSG-UHFFFAOYSA-N 1 1 326.784 1.944 20 5 EDBDMO Cc1cc(N2CC[NH+](CCc3cnccn3)CC2)ncc1[N+](=O)[O-] ZINC000601253470 449777242 /nfs/dbraw/zinc/77/72/42/449777242.db2.gz PMDUKZUKUPOFJB-UHFFFAOYSA-N 1 1 328.376 1.453 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)c1 ZINC000614740801 449784698 /nfs/dbraw/zinc/78/46/98/449784698.db2.gz KSIXDNLZMRIKOX-ZDUSSCGKSA-N 1 1 330.392 1.814 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000601191627 449741782 /nfs/dbraw/zinc/74/17/82/449741782.db2.gz OJZXUMSYRCNVMR-GFCCVEGCSA-N 1 1 339.367 1.917 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000601191627 449741785 /nfs/dbraw/zinc/74/17/85/449741785.db2.gz OJZXUMSYRCNVMR-GFCCVEGCSA-N 1 1 339.367 1.917 20 5 EDBDMO COc1ccc([C@H](CO)[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602788876 449809028 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330.348 1.475 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000601419192 449935757 /nfs/dbraw/zinc/93/57/57/449935757.db2.gz FPAOZSVFCSJGIE-ZWNOBZJWSA-N 1 1 343.380 1.367 20 5 EDBDMO Cc1nnc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)n1C ZINC000602944894 449945922 /nfs/dbraw/zinc/94/59/22/449945922.db2.gz VYBXEFQWXVGHEQ-UHFFFAOYSA-N 1 1 346.391 1.233 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000602986732 449982894 /nfs/dbraw/zinc/98/28/94/449982894.db2.gz NJGLUEBOCLPPGC-UHFFFAOYSA-N 1 1 345.407 1.721 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000602986732 449982902 /nfs/dbraw/zinc/98/29/02/449982902.db2.gz NJGLUEBOCLPPGC-UHFFFAOYSA-N 1 1 345.407 1.721 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000609257768 449984200 /nfs/dbraw/zinc/98/42/00/449984200.db2.gz DQTRZZDRZJWLCE-HOTGVXAUSA-N 1 1 346.387 1.868 20 5 EDBDMO 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EDBDMO COC(=O)C[C@@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCOC1 ZINC000770701684 580268336 /nfs/dbraw/zinc/26/83/36/580268336.db2.gz RPJAMAFVZMLURJ-INIZCTEOSA-N 1 1 349.343 1.938 20 5 EDBDMO CC1(C)CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000781675971 580554353 /nfs/dbraw/zinc/55/43/53/580554353.db2.gz CCZWODLKLUMKHD-VMPITWQZSA-N 1 1 333.388 1.523 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)[C@@H]1C ZINC000787248230 580690604 /nfs/dbraw/zinc/69/06/04/580690604.db2.gz WPFPYDJGBAORRZ-DGCLKSJQSA-N 1 1 345.359 1.694 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)[C@@H]1C ZINC000787248230 580690605 /nfs/dbraw/zinc/69/06/05/580690605.db2.gz WPFPYDJGBAORRZ-DGCLKSJQSA-N 1 1 345.359 1.694 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000793742460 580854280 /nfs/dbraw/zinc/85/42/80/580854280.db2.gz GCFJZXAEMYGGGF-KRWDZBQOSA-N 1 1 342.403 1.838 20 5 EDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000801601913 581081262 /nfs/dbraw/zinc/08/12/62/581081262.db2.gz RDSVKXFFFHFFHC-OAHLLOKOSA-N 1 1 349.347 1.235 20 5 EDBDMO C[C@H](C[NH+]1CCN(C)CC1)Nc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000892401178 591012228 /nfs/dbraw/zinc/01/22/28/591012228.db2.gz ATBPYWOSYMQVGH-GFCCVEGCSA-N 1 1 347.394 1.752 20 5 EDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000891612062 591150118 /nfs/dbraw/zinc/15/01/18/591150118.db2.gz JMDSCNYLXABINQ-ZDUSSCGKSA-N 1 1 335.408 1.790 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000892928926 591228341 /nfs/dbraw/zinc/22/83/41/591228341.db2.gz BVVMSMMILKLFBW-DOMZBBRYSA-N 1 1 334.376 1.319 20 5 EDBDMO CN1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)sc1[N+](=O)[O-] ZINC000895771686 591270241 /nfs/dbraw/zinc/27/02/41/591270241.db2.gz OTKZGMOHKRCPPK-ZJUUUORDSA-N 1 1 326.426 1.283 20 5 EDBDMO CN1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)sc1[N+](=O)[O-] ZINC000895771686 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YYQWGFFEAAKFMF-BZNIZROVSA-N 1 1 347.394 1.750 20 5 EDBDMO CC1(C)CC[N@@H+](CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000908086662 592294852 /nfs/dbraw/zinc/29/48/52/592294852.db2.gz WMIAXJRQRLMXTR-UHFFFAOYSA-N 1 1 341.433 1.746 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)[C@@H](C)C[N@@H+]1C ZINC000907193943 592553286 /nfs/dbraw/zinc/55/32/86/592553286.db2.gz ZUIJUOQJAGHESP-NEPJUHHUSA-N 1 1 349.387 1.921 20 5 EDBDMO C[C@@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)[C@@H](C)C[N@H+]1C ZINC000907193943 592553288 /nfs/dbraw/zinc/55/32/88/592553288.db2.gz ZUIJUOQJAGHESP-NEPJUHHUSA-N 1 1 349.387 1.921 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907440331 592635199 /nfs/dbraw/zinc/63/51/99/592635199.db2.gz GZCAABYINWAEEZ-UHFFFAOYSA-N 1 1 333.747 1.431 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000907448438 592660996 /nfs/dbraw/zinc/66/09/96/592660996.db2.gz MPYUROIGUOEUGN-UHFFFAOYSA-N 1 1 349.387 1.922 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1(C)C ZINC000808005766 593215195 /nfs/dbraw/zinc/21/51/95/593215195.db2.gz JOCULGMINARSAD-UHFFFAOYSA-N 1 1 335.389 1.766 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1(C)C ZINC000808005766 593215197 /nfs/dbraw/zinc/21/51/97/593215197.db2.gz JOCULGMINARSAD-UHFFFAOYSA-N 1 1 335.389 1.766 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000840178698 593341474 /nfs/dbraw/zinc/34/14/74/593341474.db2.gz UTJGNLABUDCGEG-QGZVFWFLSA-N 1 1 343.387 1.495 20 5 EDBDMO CCOC[C@@H]1CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840019774 593381102 /nfs/dbraw/zinc/38/11/02/593381102.db2.gz WLBMWSGHXFUPRT-CXAGYDPISA-N 1 1 349.387 1.848 20 5 EDBDMO CCOC[C@@H]1CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840019774 593381105 /nfs/dbraw/zinc/38/11/05/593381105.db2.gz WLBMWSGHXFUPRT-CXAGYDPISA-N 1 1 349.387 1.848 20 5 EDBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850742 593510809 /nfs/dbraw/zinc/51/08/09/593510809.db2.gz OKCRIHKJDGAHFK-RRQGHBQHSA-N 1 1 348.403 1.596 20 5 EDBDMO CC1(C)[C@H](O)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000812866136 593511215 /nfs/dbraw/zinc/51/12/15/593511215.db2.gz XWSWCRDFGNZURT-CYBMUJFWSA-N 1 1 325.340 1.908 20 5 EDBDMO O=[N+]([O-])c1cc([N+](=O)[O-])n(Cc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000817587699 593614958 /nfs/dbraw/zinc/61/49/58/593614958.db2.gz YGWNDSJVOJWTGY-UHFFFAOYSA-N 1 1 347.331 1.580 20 5 EDBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840358400 593693791 /nfs/dbraw/zinc/69/37/91/593693791.db2.gz NLKVKEXHTUVTKC-SNVBAGLBSA-N 1 1 338.320 1.044 20 5 EDBDMO CSc1nnc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000819250889 593746752 /nfs/dbraw/zinc/74/67/52/593746752.db2.gz JGHQYJNICPXRNS-SNVBAGLBSA-N 1 1 326.403 1.991 20 5 EDBDMO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000820181650 593797536 /nfs/dbraw/zinc/79/75/36/593797536.db2.gz UUSPWGKFCICEMY-DLBZAZTESA-N 1 1 345.399 1.489 20 5 EDBDMO C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000820711280 593868590 /nfs/dbraw/zinc/86/85/90/593868590.db2.gz VUIKBQUNPURDNU-MNOVXSKESA-N 1 1 346.395 1.702 20 5 EDBDMO Cc1cc(C)c(-c2nn[nH]n2)c(NCCn2cc([N+](=O)[O-])cn2)[nH+]1 ZINC000822193194 594006567 /nfs/dbraw/zinc/00/65/67/594006567.db2.gz OFOSTMPBHQOCQC-UHFFFAOYSA-N 1 1 329.324 1.095 20 5 EDBDMO CC(C)(CCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N+](=O)[O-] ZINC000822237622 594016702 /nfs/dbraw/zinc/01/67/02/594016702.db2.gz BYVKSFVJYLTUJU-UHFFFAOYSA-N 1 1 349.431 1.971 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000822933535 594124627 /nfs/dbraw/zinc/12/46/27/594124627.db2.gz JTEKQTQIZYDVRH-UONOGXRCSA-N 1 1 333.388 1.493 20 5 EDBDMO Cc1nn(C)c(C(=O)N2CC[NH2+][C@@H](c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000825180520 594143322 /nfs/dbraw/zinc/14/33/22/594143322.db2.gz MVGCGZKQVHKUNG-CQSZACIVSA-N 1 1 343.387 1.732 20 5 EDBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@@H]1CCCn2cc[nH+]c21 ZINC000826497542 594502255 /nfs/dbraw/zinc/50/22/55/594502255.db2.gz KQGXKPGHLAJFDB-NSHDSACASA-N 1 1 340.347 1.961 20 5 EDBDMO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H](C)[N@@H+]1CCO ZINC000829015205 594549242 /nfs/dbraw/zinc/54/92/42/594549242.db2.gz AGCIIMGNZXKASM-TXEJJXNPSA-N 1 1 348.403 1.371 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827332793 594661972 /nfs/dbraw/zinc/66/19/72/594661972.db2.gz SBUWWTBXOJNVHG-BMFZPTHFSA-N 1 1 333.388 1.571 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000827346328 594663260 /nfs/dbraw/zinc/66/32/60/594663260.db2.gz OFTLCVYTWQYHTF-QMTHXVAHSA-N 1 1 329.360 1.637 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000827346328 594663261 /nfs/dbraw/zinc/66/32/61/594663261.db2.gz OFTLCVYTWQYHTF-QMTHXVAHSA-N 1 1 329.360 1.637 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000827346328 594663262 /nfs/dbraw/zinc/66/32/62/594663262.db2.gz OFTLCVYTWQYHTF-QMTHXVAHSA-N 1 1 329.360 1.637 20 5 EDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000841457923 594903785 /nfs/dbraw/zinc/90/37/85/594903785.db2.gz XCFLSQXUTGMQPR-GTISMEIMSA-N 1 1 347.415 1.912 20 5 EDBDMO Cc1cc(F)cc(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000836865996 595007412 /nfs/dbraw/zinc/00/74/12/595007412.db2.gz TVLLITDAFTXJRR-TXEJJXNPSA-N 1 1 339.367 1.569 20 5 EDBDMO Cc1cc(F)cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000836865996 595007413 /nfs/dbraw/zinc/00/74/13/595007413.db2.gz TVLLITDAFTXJRR-TXEJJXNPSA-N 1 1 339.367 1.569 20 5 EDBDMO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](C)C[N@H+]1CCO ZINC000842047206 595009779 /nfs/dbraw/zinc/00/97/79/595009779.db2.gz MMPLCWPXMODXFI-NEPJUHHUSA-N 1 1 348.403 1.371 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000846936845 595339985 /nfs/dbraw/zinc/33/99/85/595339985.db2.gz OXDDDMHRTWRLAX-SJORKVTESA-N 1 1 335.404 1.425 20 5 EDBDMO COCC[N@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000844431749 595342648 /nfs/dbraw/zinc/34/26/48/595342648.db2.gz NKKKQZQVEJBGPN-MRXNPFEDSA-N 1 1 337.420 1.671 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848582497 595408975 /nfs/dbraw/zinc/40/89/75/595408975.db2.gz MTPDQSOFDBMZSY-LLVKDONJSA-N 1 1 329.303 1.777 20 5 EDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C(C)(C)C1 ZINC000850592020 595542208 /nfs/dbraw/zinc/54/22/08/595542208.db2.gz FETIFQMKYUCHBU-UHFFFAOYSA-N 1 1 347.824 1.929 20 5 EDBDMO COC(=O)[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@H]1C ZINC000853507956 595774887 /nfs/dbraw/zinc/77/48/87/595774887.db2.gz GBFILFXMECIIEP-RYUDHWBXSA-N 1 1 345.359 1.694 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@H]1C ZINC000853507956 595774889 /nfs/dbraw/zinc/77/48/89/595774889.db2.gz GBFILFXMECIIEP-RYUDHWBXSA-N 1 1 345.359 1.694 20 5 EDBDMO Cc1ccnn1CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860780807 595793709 /nfs/dbraw/zinc/79/37/09/595793709.db2.gz PQWJVVDMPKIXHI-INIZCTEOSA-N 1 1 344.371 1.917 20 5 EDBDMO Cc1ccnn1CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860780807 595793712 /nfs/dbraw/zinc/79/37/12/595793712.db2.gz PQWJVVDMPKIXHI-INIZCTEOSA-N 1 1 344.371 1.917 20 5 EDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)OC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000851465411 595816731 /nfs/dbraw/zinc/81/67/31/595816731.db2.gz GKEJXYZYIZIMHR-CQSZACIVSA-N 1 1 330.344 1.609 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000861033393 595870773 /nfs/dbraw/zinc/87/07/73/595870773.db2.gz LDTJVGBAYFOQIN-ZDUSSCGKSA-N 1 1 338.360 1.871 20 5 EDBDMO CO[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000851726158 595898733 /nfs/dbraw/zinc/89/87/33/595898733.db2.gz LRTFYXYVORXSTO-NEPJUHHUSA-N 1 1 339.417 1.982 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862009510 596179578 /nfs/dbraw/zinc/17/95/78/596179578.db2.gz VGIKZBSBGSFPHG-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862009510 596179580 /nfs/dbraw/zinc/17/95/80/596179580.db2.gz VGIKZBSBGSFPHG-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@](C)(N)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000870907051 596398429 /nfs/dbraw/zinc/39/84/29/596398429.db2.gz PTENXPVMBNDJIQ-SKDZVZGDSA-N 1 1 346.431 1.711 20 5 EDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000862791836 596413521 /nfs/dbraw/zinc/41/35/21/596413521.db2.gz INFNAHVLKYUCMC-LLVKDONJSA-N 1 1 336.348 1.965 20 5 EDBDMO Cc1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000867606877 596456138 /nfs/dbraw/zinc/45/61/38/596456138.db2.gz GRYOYFUGJHBSDD-AWEZNQCLSA-N 1 1 348.403 1.072 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)n1 ZINC000869815868 596647159 /nfs/dbraw/zinc/64/71/59/596647159.db2.gz UHYOIZRIQBFTTA-UHFFFAOYSA-N 1 1 341.371 1.286 20 5 EDBDMO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872084393 596802619 /nfs/dbraw/zinc/80/26/19/596802619.db2.gz RPTJRPRFJQATGO-VHSXEESVSA-N 1 1 331.369 1.418 20 5 EDBDMO Cc1ccc(CNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000868372392 596809330 /nfs/dbraw/zinc/80/93/30/596809330.db2.gz UDIADZWUALYHIX-CQSZACIVSA-N 1 1 349.435 1.338 20 5 EDBDMO COc1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c([N+](=O)[O-])cc1OC ZINC000874847262 597198484 /nfs/dbraw/zinc/19/84/84/597198484.db2.gz NOMNBRGBQAKTMU-CHWSQXEVSA-N 1 1 349.387 1.921 20 5 EDBDMO C[C@@]([NH3+])(C(=O)N1CCO[C@@](C)(C(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000876980054 597403855 /nfs/dbraw/zinc/40/38/55/597403855.db2.gz DQPFNQLBJBPPIU-CABCVRRESA-N 1 1 343.330 1.651 20 5 EDBDMO CC(=O)N1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000880311003 597898774 /nfs/dbraw/zinc/89/87/74/597898774.db2.gz RFRUSQQWZLAUJV-OKILXGFUSA-N 1 1 346.387 1.334 20 5 EDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000880430974 597931984 /nfs/dbraw/zinc/93/19/84/597931984.db2.gz RMSWESURCFWQQC-HUUCEWRRSA-N 1 1 337.376 1.659 20 5 EDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000882490695 597975507 /nfs/dbraw/zinc/97/55/07/597975507.db2.gz UKKAOMXBYAONGC-LBPRGKRZSA-N 1 1 329.360 1.605 20 5 EDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000882498341 597978382 /nfs/dbraw/zinc/97/83/82/597978382.db2.gz UOVIMLXMTPUZTA-NSHDSACASA-N 1 1 335.360 1.580 20 5 EDBDMO O=[N+]([O-])c1ccc(Cn2cc(C[N@H+]3CCC[C@H]3CO)nn2)cc1F ZINC000881211779 598099499 /nfs/dbraw/zinc/09/94/99/598099499.db2.gz IUGQIZQRTWWCJM-ZDUSSCGKSA-N 1 1 335.339 1.330 20 5 EDBDMO O=[N+]([O-])c1ccc(Cn2cc(C[N@@H+]3CCC[C@H]3CO)nn2)cc1F ZINC000881211779 598099502 /nfs/dbraw/zinc/09/95/02/598099502.db2.gz IUGQIZQRTWWCJM-ZDUSSCGKSA-N 1 1 335.339 1.330 20 5 EDBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000916612670 696687684 /nfs/dbraw/zinc/68/76/84/696687684.db2.gz BJXLLMLIFVESLO-ZDUSSCGKSA-N 1 1 349.387 1.613 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000917654459 697059288 /nfs/dbraw/zinc/05/92/88/697059288.db2.gz HCRQPWHWLKUUAE-QWHCGFSZSA-N 1 1 339.417 1.808 20 5 EDBDMO Cn1ccc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001031613558 697324842 /nfs/dbraw/zinc/32/48/42/697324842.db2.gz PXGSHTPUXQXKGI-UHFFFAOYSA-N 1 1 328.372 1.795 20 5 EDBDMO Cc1cc(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)cnn1 ZINC001031634344 697381340 /nfs/dbraw/zinc/38/13/40/697381340.db2.gz UJMNGHWHIULPQS-UHFFFAOYSA-N 1 1 341.371 1.555 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc3ncccc3c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661870 697436363 /nfs/dbraw/zinc/43/63/63/697436363.db2.gz LCBYAVCCKGESPV-NVXWUHKLSA-N 1 1 340.383 1.448 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1ccncn1 ZINC001032060180 703500482 /nfs/dbraw/zinc/50/04/82/703500482.db2.gz KTIXXBDUCGQFGN-UHFFFAOYSA-N 1 1 327.344 1.247 20 5 EDBDMO CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001034645016 710321324 /nfs/dbraw/zinc/32/13/24/710321324.db2.gz PNSPJYYXVBTBLI-QHSBEEBCSA-N 1 1 335.408 1.085 20 5 EDBDMO COc1ccc(CC(=O)NCc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000560158146 306262052 /nfs/dbraw/zinc/26/20/52/306262052.db2.gz NCKBQACAQQKGGY-UHFFFAOYSA-N 1 1 344.371 1.995 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000067961023 215260899 /nfs/dbraw/zinc/26/08/99/215260899.db2.gz QUAOTGWRNOYMLR-AWEZNQCLSA-N 1 1 334.376 1.572 20 5 EDBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000104076228 219346002 /nfs/dbraw/zinc/34/60/02/219346002.db2.gz LDHDSMAXWRCJPD-JQWIXIFHSA-N 1 1 345.359 1.731 20 5 EDBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@@H]1c1ccccc1 ZINC000179222218 283055210 /nfs/dbraw/zinc/05/52/10/283055210.db2.gz YCQKUUWEULTMGZ-CABCVRRESA-N 1 1 342.355 1.871 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104070272 138299510 /nfs/dbraw/zinc/29/95/10/138299510.db2.gz PKJDDALUMFITMW-QGZVFWFLSA-N 1 1 346.431 1.551 20 5 EDBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000125445217 138333929 /nfs/dbraw/zinc/33/39/29/138333929.db2.gz KNGDPYJMJYCVNJ-LLVKDONJSA-N 1 1 334.376 1.784 20 5 EDBDMO C[C@H](CCNC(=O)c1c([N+](=O)[O-])cnn1C)[N@@H+](C)Cc1ccccc1 ZINC000125523508 138334892 /nfs/dbraw/zinc/33/48/92/138334892.db2.gz DQBYNJPCIKMTPM-CYBMUJFWSA-N 1 1 345.403 1.969 20 5 EDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000072639804 216286656 /nfs/dbraw/zinc/28/66/56/216286656.db2.gz SAVOKAOZTUJRRM-GXTWGEPZSA-N 1 1 332.360 1.228 20 5 EDBDMO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@@H](O)C[N@H+]1CCc2ccccc2C1 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/nfs/dbraw/zinc/22/92/32/273229232.db2.gz QWVGPKTVTMYYND-DOTOQJQBSA-N 1 1 338.404 1.962 20 5 EDBDMO C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1[NH+]1CCOCC1 ZINC000278517207 273265340 /nfs/dbraw/zinc/26/53/40/273265340.db2.gz YOXCVXBVQSQUPD-BLLLJJGKSA-N 1 1 332.404 1.720 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000284703977 274300713 /nfs/dbraw/zinc/30/07/13/274300713.db2.gz SVCIDBLYSFPQBX-LSDHHAIUSA-N 1 1 336.348 1.408 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)[N@@H+](C)C1 ZINC000284704310 274300729 /nfs/dbraw/zinc/30/07/29/274300729.db2.gz KDNFLUGJDQBGRD-RYUDHWBXSA-N 1 1 340.355 1.917 20 5 EDBDMO CCOc1cc(C[N@@H+]2CC[C@@](O)(c3cn[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000284803091 274338013 /nfs/dbraw/zinc/33/80/13/274338013.db2.gz MQZMGIYPQIMPSE-HNNXBMFYSA-N 1 1 333.348 1.205 20 5 EDBDMO CCOc1cc(C[N@H+]2CC[C@@](O)(c3cn[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000284803091 274338015 /nfs/dbraw/zinc/33/80/15/274338015.db2.gz MQZMGIYPQIMPSE-HNNXBMFYSA-N 1 1 333.348 1.205 20 5 EDBDMO C[N@H+]1CCO[C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@@H]21 ZINC000284949074 274399001 /nfs/dbraw/zinc/39/90/01/274399001.db2.gz JQVLGEYHTILJGX-KBPBESRZSA-N 1 1 345.359 1.153 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000426189946 277289258 /nfs/dbraw/zinc/28/92/58/277289258.db2.gz CVYKWRRDDZNIPL-AWEZNQCLSA-N 1 1 327.406 1.151 20 5 EDBDMO O=C(CC[N@@H+]1CCC[C@@](F)(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000286717567 288069152 /nfs/dbraw/zinc/06/91/52/288069152.db2.gz CFHXOQFSXYOKDY-HNNXBMFYSA-N 1 1 325.340 1.720 20 5 EDBDMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000286818833 288096059 /nfs/dbraw/zinc/09/60/59/288096059.db2.gz QIAGDCUABQQIBH-CYBMUJFWSA-N 1 1 344.375 1.307 20 5 EDBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000189555938 279283608 /nfs/dbraw/zinc/28/36/08/279283608.db2.gz CAESEDRWAXNQOQ-GFCCVEGCSA-N 1 1 344.371 1.946 20 5 EDBDMO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000287202401 288179537 /nfs/dbraw/zinc/17/95/37/288179537.db2.gz DPCJWEHMHKZZIV-VXGBXAGGSA-N 1 1 339.396 1.779 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000287670183 288290702 /nfs/dbraw/zinc/29/07/02/288290702.db2.gz BMPDNVHMSWRMHS-GFCCVEGCSA-N 1 1 334.376 1.394 20 5 EDBDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000287670183 288290703 /nfs/dbraw/zinc/29/07/03/288290703.db2.gz BMPDNVHMSWRMHS-GFCCVEGCSA-N 1 1 334.376 1.394 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000288059617 288393615 /nfs/dbraw/zinc/39/36/15/288393615.db2.gz UVEMDZCGPVMKRK-VHSXEESVSA-N 1 1 337.405 1.491 20 5 EDBDMO Cn1cc([C@H]2[C@H](CNc3ccc([N+](=O)[O-])cn3)CCC[N@H+]2C)cn1 ZINC000377707530 447306425 /nfs/dbraw/zinc/30/64/25/447306425.db2.gz RBDAOLFCVXDXDX-BLLLJJGKSA-N 1 1 330.392 2.218 20 5 EDBDMO Cc1c([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cnn1C ZINC000372834808 447307920 /nfs/dbraw/zinc/30/79/20/447307920.db2.gz CKQWHHYGAQKAID-HNNXBMFYSA-N 1 1 331.376 1.636 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173526308 302045186 /nfs/dbraw/zinc/04/51/86/302045186.db2.gz HXCWIHJKMFEUQD-CYBMUJFWSA-N 1 1 337.401 1.538 20 5 EDBDMO Cc1c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000293841307 303027493 /nfs/dbraw/zinc/02/74/93/303027493.db2.gz IZMOHVVPCNCTBE-MRXNPFEDSA-N 1 1 348.359 1.979 20 5 EDBDMO C[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000296676804 303330749 /nfs/dbraw/zinc/33/07/49/303330749.db2.gz HPYREJIQTYEREU-GOEBONIOSA-N 1 1 349.431 1.751 20 5 EDBDMO C[C@@H]1CN(C2CC2)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296676804 303330751 /nfs/dbraw/zinc/33/07/51/303330751.db2.gz HPYREJIQTYEREU-GOEBONIOSA-N 1 1 349.431 1.751 20 5 EDBDMO C[C@@H]1CN(C2CC2)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296676804 303330753 /nfs/dbraw/zinc/33/07/53/303330753.db2.gz HPYREJIQTYEREU-GOEBONIOSA-N 1 1 349.431 1.751 20 5 EDBDMO NC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301060524 303659124 /nfs/dbraw/zinc/65/91/24/303659124.db2.gz BIAWLJBQAJCQQQ-UHFFFAOYSA-N 1 1 346.309 1.975 20 5 EDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1CCO ZINC000493569200 447343443 /nfs/dbraw/zinc/34/34/43/447343443.db2.gz RYPLFNNWUPMPQT-XVJNWHFHSA-N 1 1 333.388 1.571 20 5 EDBDMO C[C@@H]([NH3+])C1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430958183 305070840 /nfs/dbraw/zinc/07/08/40/305070840.db2.gz RQXXNQBYZDPOPV-MLGOLLRUSA-N 1 1 332.404 1.759 20 5 EDBDMO Cc1cc(OCC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000432197252 305088850 /nfs/dbraw/zinc/08/88/50/305088850.db2.gz XGOITRYCJCSXTF-DOMZBBRYSA-N 1 1 333.388 1.881 20 5 EDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000436482610 305158394 /nfs/dbraw/zinc/15/83/94/305158394.db2.gz IKGFUEPDCDPAEX-GDBMZVCRSA-N 1 1 337.420 1.607 20 5 EDBDMO CC(C)[C@H]1CN(C)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000436482610 305158395 /nfs/dbraw/zinc/15/83/95/305158395.db2.gz IKGFUEPDCDPAEX-GDBMZVCRSA-N 1 1 337.420 1.607 20 5 EDBDMO CC(C)[C@H]1CN(C)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000436482610 305158396 /nfs/dbraw/zinc/15/83/96/305158396.db2.gz IKGFUEPDCDPAEX-GDBMZVCRSA-N 1 1 337.420 1.607 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000442175295 305226723 /nfs/dbraw/zinc/22/67/23/305226723.db2.gz QJYWTACRXLOXRY-RYUDHWBXSA-N 1 1 334.376 1.441 20 5 EDBDMO Cn1cc([C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000444747942 305251804 /nfs/dbraw/zinc/25/18/04/305251804.db2.gz MQNNLEUUSMAUJS-STQMWFEESA-N 1 1 334.351 1.675 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000451441032 305346553 /nfs/dbraw/zinc/34/65/53/305346553.db2.gz QXLALNWRDNPSNQ-SMDDNHRTSA-N 1 1 332.303 1.036 20 5 EDBDMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545969 305352553 /nfs/dbraw/zinc/35/25/53/305352553.db2.gz IIJZWMJASWEOGY-TZMCWYRMSA-N 1 1 349.387 1.452 20 5 EDBDMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545969 305352554 /nfs/dbraw/zinc/35/25/54/305352554.db2.gz IIJZWMJASWEOGY-TZMCWYRMSA-N 1 1 349.387 1.452 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000544760951 306078536 /nfs/dbraw/zinc/07/85/36/306078536.db2.gz TWCLEDGBXWPFLI-INIZCTEOSA-N 1 1 337.376 1.779 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000544760951 306078537 /nfs/dbraw/zinc/07/85/37/306078537.db2.gz TWCLEDGBXWPFLI-INIZCTEOSA-N 1 1 337.376 1.779 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2nnc3ccccn32)c1 ZINC000551974840 306172189 /nfs/dbraw/zinc/17/21/89/306172189.db2.gz MWMFOJCZKJUJAF-CYBMUJFWSA-N 1 1 343.343 1.167 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414984356 447385090 /nfs/dbraw/zinc/38/50/90/447385090.db2.gz LXWNUEVQASANFS-AWEZNQCLSA-N 1 1 346.353 1.829 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000426257297 447408242 /nfs/dbraw/zinc/40/82/42/447408242.db2.gz PEGMAVFVNOPEBX-UKRRQHHQSA-N 1 1 337.376 1.777 20 5 EDBDMO C[C@@H]1C[N@H+](CCCNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000047433317 441187888 /nfs/dbraw/zinc/18/78/88/441187888.db2.gz FXUZESCTVSWYOZ-OKILXGFUSA-N 1 1 335.404 1.753 20 5 EDBDMO COc1ccc(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000104747513 441204200 /nfs/dbraw/zinc/20/42/00/441204200.db2.gz WVSHLYAOLMMGFI-LLVKDONJSA-N 1 1 343.405 1.176 20 5 EDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000064334128 441373629 /nfs/dbraw/zinc/37/36/29/441373629.db2.gz RKAIGYCHEGEAQS-BUWFCSEKSA-N 1 1 331.372 1.587 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052693709 441469780 /nfs/dbraw/zinc/46/97/80/441469780.db2.gz TVTAKMOXTXVBGN-CHWSQXEVSA-N 1 1 341.433 1.917 20 5 EDBDMO CN1CC[NH+](CCCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087005336 441475369 /nfs/dbraw/zinc/47/53/69/441475369.db2.gz QJLWCNBFAURGON-UHFFFAOYSA-N 1 1 334.420 1.281 20 5 EDBDMO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000032268108 441550044 /nfs/dbraw/zinc/55/00/44/441550044.db2.gz BPUZMONECWCTNH-OAHLLOKOSA-N 1 1 335.404 1.990 20 5 EDBDMO CCN1CC[NH+](CCC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000089302710 441536552 /nfs/dbraw/zinc/53/65/52/441536552.db2.gz XHSVELVQUCOENO-UHFFFAOYSA-N 1 1 334.420 1.281 20 5 EDBDMO COC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000112986747 441575794 /nfs/dbraw/zinc/57/57/94/441575794.db2.gz HFHTVUGHJWKIHE-GFCCVEGCSA-N 1 1 337.376 1.900 20 5 EDBDMO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000112986747 441575795 /nfs/dbraw/zinc/57/57/95/441575795.db2.gz HFHTVUGHJWKIHE-GFCCVEGCSA-N 1 1 337.376 1.900 20 5 EDBDMO COC(=O)[C@@H](C)C[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000114062904 441632623 /nfs/dbraw/zinc/63/26/23/441632623.db2.gz IYEMJGAACVMUSV-NSHDSACASA-N 1 1 337.376 1.973 20 5 EDBDMO COC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000114062754 441633335 /nfs/dbraw/zinc/63/33/35/441633335.db2.gz AYAXFUCKZCXZCT-LLVKDONJSA-N 1 1 335.360 1.225 20 5 EDBDMO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000114062754 441633339 /nfs/dbraw/zinc/63/33/39/441633339.db2.gz AYAXFUCKZCXZCT-LLVKDONJSA-N 1 1 335.360 1.225 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)c1 ZINC000114368991 441648775 /nfs/dbraw/zinc/64/87/75/441648775.db2.gz GAAMQQGOLHEFPX-LBPRGKRZSA-N 1 1 337.376 1.444 20 5 EDBDMO Cc1cc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000076467125 441649499 /nfs/dbraw/zinc/64/94/99/441649499.db2.gz NJQYRPQJHGUICJ-CYBMUJFWSA-N 1 1 348.403 1.280 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000067823440 441683199 /nfs/dbraw/zinc/68/31/99/441683199.db2.gz SGQIQLGPWOTRBK-HNNXBMFYSA-N 1 1 343.387 1.490 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(N)=O)CC(C)C ZINC000067962961 441702190 /nfs/dbraw/zinc/70/21/90/441702190.db2.gz FBPWYPFMLLUTQS-UHFFFAOYSA-N 1 1 336.392 1.675 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173486079 441766352 /nfs/dbraw/zinc/76/63/52/441766352.db2.gz BKPUWFKZGLNPSJ-CQSZACIVSA-N 1 1 334.420 1.831 20 5 EDBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000141598498 441853856 /nfs/dbraw/zinc/85/38/56/441853856.db2.gz XDCYFZPZWAZGLD-UHFFFAOYSA-N 1 1 329.360 1.584 20 5 EDBDMO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000068801088 441855010 /nfs/dbraw/zinc/85/50/10/441855010.db2.gz PTTHXZBHCNBXNX-SJORKVTESA-N 1 1 347.415 1.689 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC[C@H](CC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000175222275 442020968 /nfs/dbraw/zinc/02/09/68/442020968.db2.gz YNHFNVHVVGNHSW-GFCCVEGCSA-N 1 1 337.376 1.570 20 5 EDBDMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162230695 442075033 /nfs/dbraw/zinc/07/50/33/442075033.db2.gz CEGUVVASWKVINW-ZDUSSCGKSA-N 1 1 341.433 1.351 20 5 EDBDMO Cc1nc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000151635807 442096508 /nfs/dbraw/zinc/09/65/08/442096508.db2.gz YERIUDDAGWNUAP-AWEZNQCLSA-N 1 1 333.392 1.041 20 5 EDBDMO O=C1C[C@@H](c2ccccc2)[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1 ZINC000176214591 442193162 /nfs/dbraw/zinc/19/31/62/442193162.db2.gz HKMAWNYTXDLTFJ-AWEZNQCLSA-N 1 1 329.360 1.355 20 5 EDBDMO CCOc1cccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000176235870 442197479 /nfs/dbraw/zinc/19/74/79/442197479.db2.gz NSTAPEDYDASWAC-UHFFFAOYSA-N 1 1 346.391 1.407 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000170690244 442248969 /nfs/dbraw/zinc/24/89/69/442248969.db2.gz AWSSRHIXFIAZCW-NWDGAFQWSA-N 1 1 342.421 1.161 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153901815 442309868 /nfs/dbraw/zinc/30/98/68/442309868.db2.gz VYWLCIUOVMWJTA-CQSZACIVSA-N 1 1 341.433 1.698 20 5 EDBDMO O=C(CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCOCC1 ZINC000130906906 442360101 /nfs/dbraw/zinc/36/01/01/442360101.db2.gz MALAPUIPAOBLJB-UHFFFAOYSA-N 1 1 333.388 1.808 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000156572617 442496493 /nfs/dbraw/zinc/49/64/93/442496493.db2.gz JEBOBLVIQDEAQW-OAHLLOKOSA-N 1 1 337.376 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000156572617 442496496 /nfs/dbraw/zinc/49/64/96/442496496.db2.gz JEBOBLVIQDEAQW-OAHLLOKOSA-N 1 1 337.376 1.635 20 5 EDBDMO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000134961707 442541361 /nfs/dbraw/zinc/54/13/61/442541361.db2.gz GWJICEZRWKHSIK-ZDUSSCGKSA-N 1 1 329.360 1.885 20 5 EDBDMO C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000157031881 442543296 /nfs/dbraw/zinc/54/32/96/442543296.db2.gz SEMJVFOKNVTNHX-BDJLRTHQSA-N 1 1 348.403 1.618 20 5 EDBDMO C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000157031881 442543300 /nfs/dbraw/zinc/54/33/00/442543300.db2.gz SEMJVFOKNVTNHX-BDJLRTHQSA-N 1 1 348.403 1.618 20 5 EDBDMO CC[N@@H+]1CCO[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000135186747 442567258 /nfs/dbraw/zinc/56/72/58/442567258.db2.gz SKBDUWUSWZETCM-INIZCTEOSA-N 1 1 333.388 1.807 20 5 EDBDMO CC[N@H+]1CCO[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000135186747 442567264 /nfs/dbraw/zinc/56/72/64/442567264.db2.gz SKBDUWUSWZETCM-INIZCTEOSA-N 1 1 333.388 1.807 20 5 EDBDMO COCCO[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000179350075 442628361 /nfs/dbraw/zinc/62/83/61/442628361.db2.gz BWBRRJSLVRBNEM-CQSZACIVSA-N 1 1 337.376 1.321 20 5 EDBDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000179350075 442628364 /nfs/dbraw/zinc/62/83/64/442628364.db2.gz BWBRRJSLVRBNEM-CQSZACIVSA-N 1 1 337.376 1.321 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173255170 442634502 /nfs/dbraw/zinc/63/45/02/442634502.db2.gz SWAVCKSVRSAVHP-DOMZBBRYSA-N 1 1 341.433 1.946 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181292238 442688393 /nfs/dbraw/zinc/68/83/93/442688393.db2.gz NHSHRPVMJOEKJA-LBPRGKRZSA-N 1 1 335.360 1.880 20 5 EDBDMO COc1cc(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000192821688 442689867 /nfs/dbraw/zinc/68/98/67/442689867.db2.gz ZZRMCIZZVCMHAS-NWDGAFQWSA-N 1 1 341.383 1.629 20 5 EDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)CN1CC[NH+](C)CC1 ZINC000193576533 442756001 /nfs/dbraw/zinc/75/60/01/442756001.db2.gz SYRKENSRERZDLY-NSHDSACASA-N 1 1 326.422 1.270 20 5 EDBDMO CC(C)(O)[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182225117 442747594 /nfs/dbraw/zinc/74/75/94/442747594.db2.gz SKCOFGXQFLDVCZ-CQSZACIVSA-N 1 1 342.417 1.604 20 5 EDBDMO CC(C)(O)[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182225117 442747596 /nfs/dbraw/zinc/74/75/96/442747596.db2.gz SKCOFGXQFLDVCZ-CQSZACIVSA-N 1 1 342.417 1.604 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000265486186 442791525 /nfs/dbraw/zinc/79/15/25/442791525.db2.gz BDVJMKMPIHDISU-LBPRGKRZSA-N 1 1 328.376 1.678 20 5 EDBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000193660893 442765251 /nfs/dbraw/zinc/76/52/51/442765251.db2.gz KEPDGZCWOTZNMO-SDBXPKJASA-N 1 1 340.767 1.301 20 5 EDBDMO COc1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000268134766 442862774 /nfs/dbraw/zinc/86/27/74/442862774.db2.gz BDTOJYOWMQUGQY-QWRGUYRKSA-N 1 1 327.356 1.634 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000268167512 442881209 /nfs/dbraw/zinc/88/12/09/442881209.db2.gz DQYDQZADHVOIQB-JSGCOSHPSA-N 1 1 332.404 1.630 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000248863030 442931196 /nfs/dbraw/zinc/93/11/96/442931196.db2.gz ALPLTPPROHUBNR-GXTWGEPZSA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000248863030 442931200 /nfs/dbraw/zinc/93/12/00/442931200.db2.gz ALPLTPPROHUBNR-GXTWGEPZSA-N 1 1 337.376 1.313 20 5 EDBDMO C[C@@H](O)C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)CO ZINC000248917673 442937586 /nfs/dbraw/zinc/93/75/86/442937586.db2.gz KDSGXWRJAVJHJW-VXGBXAGGSA-N 1 1 335.360 1.813 20 5 EDBDMO C[C@@H](O)C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)CO ZINC000248917673 442937591 /nfs/dbraw/zinc/93/75/91/442937591.db2.gz KDSGXWRJAVJHJW-VXGBXAGGSA-N 1 1 335.360 1.813 20 5 EDBDMO CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@H+](C)C1 ZINC000265943281 442979187 /nfs/dbraw/zinc/97/91/87/442979187.db2.gz GEQMPOKCTPSUMY-GOEBONIOSA-N 1 1 337.420 1.608 20 5 EDBDMO CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000265943281 442979189 /nfs/dbraw/zinc/97/91/89/442979189.db2.gz GEQMPOKCTPSUMY-GOEBONIOSA-N 1 1 337.420 1.608 20 5 EDBDMO CN1CCC[C@H](C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265943281 442979191 /nfs/dbraw/zinc/97/91/91/442979191.db2.gz GEQMPOKCTPSUMY-GOEBONIOSA-N 1 1 337.420 1.608 20 5 EDBDMO CN1CCC[C@H](C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265943281 442979192 /nfs/dbraw/zinc/97/91/92/442979192.db2.gz GEQMPOKCTPSUMY-GOEBONIOSA-N 1 1 337.420 1.608 20 5 EDBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)[nH]1 ZINC000268421332 442982530 /nfs/dbraw/zinc/98/25/30/442982530.db2.gz CSIWJBSYUSQYIX-CYBMUJFWSA-N 1 1 344.375 1.500 20 5 EDBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000268421332 442982534 /nfs/dbraw/zinc/98/25/34/442982534.db2.gz CSIWJBSYUSQYIX-CYBMUJFWSA-N 1 1 344.375 1.500 20 5 EDBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000268421332 442982538 /nfs/dbraw/zinc/98/25/38/442982538.db2.gz CSIWJBSYUSQYIX-CYBMUJFWSA-N 1 1 344.375 1.500 20 5 EDBDMO COCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000268449697 442993740 /nfs/dbraw/zinc/99/37/40/442993740.db2.gz ABJACHCNWQVVKP-UHFFFAOYSA-N 1 1 337.376 1.458 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000269031963 443177562 /nfs/dbraw/zinc/17/75/62/443177562.db2.gz ANRMAOSAUFPOAQ-DOTOQJQBSA-N 1 1 345.403 1.729 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000245397203 443222403 /nfs/dbraw/zinc/22/24/03/443222403.db2.gz OGSDGQHSAFTWFH-OLZOCXBDSA-N 1 1 348.403 1.899 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000245397203 443222405 /nfs/dbraw/zinc/22/24/05/443222405.db2.gz OGSDGQHSAFTWFH-OLZOCXBDSA-N 1 1 348.403 1.899 20 5 EDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000411661703 319193376 /nfs/dbraw/zinc/19/33/76/319193376.db2.gz AQOYOIOUGIAKFG-LBPRGKRZSA-N 1 1 334.376 1.381 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272437464 443316331 /nfs/dbraw/zinc/31/63/31/443316331.db2.gz KKOSXVRJBRSGJN-IUODEOHRSA-N 1 1 348.403 1.839 20 5 EDBDMO CCN1CCN(C(=O)[C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282452382 443343253 /nfs/dbraw/zinc/34/32/53/443343253.db2.gz LXJQMZZXEKEOPQ-HNNXBMFYSA-N 1 1 348.447 1.622 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCOCCO)cccc1[N+](=O)[O-] ZINC000282615853 443389226 /nfs/dbraw/zinc/38/92/26/443389226.db2.gz XLBZHXGSBVULPK-LBPRGKRZSA-N 1 1 325.365 1.171 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCOCCO)cccc1[N+](=O)[O-] ZINC000282615853 443389227 /nfs/dbraw/zinc/38/92/27/443389227.db2.gz XLBZHXGSBVULPK-LBPRGKRZSA-N 1 1 325.365 1.171 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000267175504 443367963 /nfs/dbraw/zinc/36/79/63/443367963.db2.gz AUNMLFVSILOOFI-LLVKDONJSA-N 1 1 342.421 1.020 20 5 EDBDMO CC[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@H+]1CCOC ZINC000264762865 443412205 /nfs/dbraw/zinc/41/22/05/443412205.db2.gz OARHVKQZWYCUSI-NSHDSACASA-N 1 1 335.364 1.678 20 5 EDBDMO COc1ccc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000610999227 450402117 /nfs/dbraw/zinc/40/21/17/450402117.db2.gz QJTCCJVRUGRJCX-OAHLLOKOSA-N 1 1 347.371 1.870 20 5 EDBDMO C[N@@H+](CCOCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000282632964 443394704 /nfs/dbraw/zinc/39/47/04/443394704.db2.gz YTPHDBHKWZASSY-UHFFFAOYSA-N 1 1 329.328 1.003 20 5 EDBDMO O=C(CC[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000282840904 443447489 /nfs/dbraw/zinc/44/74/89/443447489.db2.gz ASZXXHLKBSGPAK-JSGCOSHPSA-N 1 1 346.387 1.666 20 5 EDBDMO O=C(CC[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000282840904 443447492 /nfs/dbraw/zinc/44/74/92/443447492.db2.gz ASZXXHLKBSGPAK-JSGCOSHPSA-N 1 1 346.387 1.666 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000265258584 443586187 /nfs/dbraw/zinc/58/61/87/443586187.db2.gz XWIKJHUYZYQFKX-UKRRQHHQSA-N 1 1 339.417 1.808 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000279457107 443588586 /nfs/dbraw/zinc/58/85/86/443588586.db2.gz ZVIMYIUKGGUCME-VMGRFDJRSA-N 1 1 336.388 1.834 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000279457107 443588590 /nfs/dbraw/zinc/58/85/90/443588590.db2.gz ZVIMYIUKGGUCME-VMGRFDJRSA-N 1 1 336.388 1.834 20 5 EDBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286077659 443640884 /nfs/dbraw/zinc/64/08/84/443640884.db2.gz HBHDOLLMNLFMFT-GBIKHYSHSA-N 1 1 345.359 1.759 20 5 EDBDMO C[N@@H+](CCO)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000272418126 443619147 /nfs/dbraw/zinc/61/91/47/443619147.db2.gz XEFWLCKNMLSJEA-UHFFFAOYSA-N 1 1 347.371 1.870 20 5 EDBDMO COC[C@@](C)(O)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449385649 320185936 /nfs/dbraw/zinc/18/59/36/320185936.db2.gz QUJNUELPKQLIRD-WBVHZDCISA-N 1 1 348.403 1.795 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCC[N@H+]1CCCO ZINC000449387168 320187099 /nfs/dbraw/zinc/18/70/99/320187099.db2.gz KPXDYGMYTGDBHN-MRXNPFEDSA-N 1 1 337.420 1.930 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCN1CCCO ZINC000449387168 320187102 /nfs/dbraw/zinc/18/71/02/320187102.db2.gz KPXDYGMYTGDBHN-MRXNPFEDSA-N 1 1 337.420 1.930 20 5 EDBDMO C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000492664974 320382284 /nfs/dbraw/zinc/38/22/84/320382284.db2.gz YQWNVGLBZIPXOS-OGOUPESXSA-N 1 1 337.351 1.272 20 5 EDBDMO C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000492664974 320382285 /nfs/dbraw/zinc/38/22/85/320382285.db2.gz YQWNVGLBZIPXOS-OGOUPESXSA-N 1 1 337.351 1.272 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492741430 320384445 /nfs/dbraw/zinc/38/44/45/320384445.db2.gz WAZZUWVPIQRAFA-DEBLGDTFSA-N 1 1 347.415 1.912 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)c2ncnc3sc([N+](=O)[O-])cc32)[N@@H+](C)C1 ZINC000286325864 443691409 /nfs/dbraw/zinc/69/14/09/443691409.db2.gz YKMFHAVTOZTPLF-UWVGGRQHSA-N 1 1 337.405 1.755 20 5 EDBDMO NC(=O)c1ccnc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000290926611 443712834 /nfs/dbraw/zinc/71/28/34/443712834.db2.gz JARTZQSZNMXLCM-FZMZJTMJSA-N 1 1 345.403 1.542 20 5 EDBDMO CC[N@@H+](CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C1CC1 ZINC000298261491 443733571 /nfs/dbraw/zinc/73/35/71/443733571.db2.gz VRBRMIXNUKSDMT-UHFFFAOYSA-N 1 1 348.403 1.751 20 5 EDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000281195960 443844832 /nfs/dbraw/zinc/84/48/32/443844832.db2.gz SOANMVLHQFOIJM-MRXNPFEDSA-N 1 1 337.376 1.570 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)[C@@H]2C1 ZINC000285076472 443846695 /nfs/dbraw/zinc/84/66/95/443846695.db2.gz PODUINYFUZSGHS-QMTHXVAHSA-N 1 1 329.360 1.774 20 5 EDBDMO CC[C@H](C)[N@@H+](CC(=O)OC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000281325784 443880870 /nfs/dbraw/zinc/88/08/70/443880870.db2.gz LONBWNYTCOBFMD-JSGCOSHPSA-N 1 1 340.376 1.608 20 5 EDBDMO CC[C@H](C)[N@H+](CC(=O)OC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000281325784 443880875 /nfs/dbraw/zinc/88/08/75/443880875.db2.gz LONBWNYTCOBFMD-JSGCOSHPSA-N 1 1 340.376 1.608 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288396586 443868241 /nfs/dbraw/zinc/86/82/41/443868241.db2.gz KYLYJSBBONUGIK-LBPRGKRZSA-N 1 1 344.375 1.342 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288396586 443868245 /nfs/dbraw/zinc/86/82/45/443868245.db2.gz KYLYJSBBONUGIK-LBPRGKRZSA-N 1 1 344.375 1.342 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000298790128 443869547 /nfs/dbraw/zinc/86/95/47/443869547.db2.gz JGLHHXQSIYTZNK-GFCCVEGCSA-N 1 1 335.360 1.727 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000299193174 443979207 /nfs/dbraw/zinc/97/92/07/443979207.db2.gz DBSJDWQNEIAFES-GFCCVEGCSA-N 1 1 336.392 1.687 20 5 EDBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)O1 ZINC000299360302 444026726 /nfs/dbraw/zinc/02/67/26/444026726.db2.gz XUOBRGIKQNRTAM-JHJVBQTASA-N 1 1 337.376 1.902 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000299359669 444027206 /nfs/dbraw/zinc/02/72/06/444027206.db2.gz OQAGQHKKOYGWKF-LBPRGKRZSA-N 1 1 346.387 1.020 20 5 EDBDMO Cc1sc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000285729979 444088477 /nfs/dbraw/zinc/08/84/77/444088477.db2.gz KICOJRLHXXMULB-RYUDHWBXSA-N 1 1 325.390 1.510 20 5 EDBDMO Cc1sc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000285729979 444088481 /nfs/dbraw/zinc/08/84/81/444088481.db2.gz KICOJRLHXXMULB-RYUDHWBXSA-N 1 1 325.390 1.510 20 5 EDBDMO CNC(=O)c1ccc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000301845569 444193360 /nfs/dbraw/zinc/19/33/60/444193360.db2.gz AGUMCEWVOIJKCC-UONOGXRCSA-N 1 1 348.403 1.620 20 5 EDBDMO CNC(=O)c1ccc(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000301845569 444193363 /nfs/dbraw/zinc/19/33/63/444193363.db2.gz AGUMCEWVOIJKCC-UONOGXRCSA-N 1 1 348.403 1.620 20 5 EDBDMO CCOCC[N@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1C ZINC000301886312 444195450 /nfs/dbraw/zinc/19/54/50/444195450.db2.gz PUDYTTAKBDDTFI-GFCCVEGCSA-N 1 1 334.380 1.185 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301899895 444195817 /nfs/dbraw/zinc/19/58/17/444195817.db2.gz UEPOMCQXUMWEAS-LBPRGKRZSA-N 1 1 341.433 1.776 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000290213254 444255239 /nfs/dbraw/zinc/25/52/39/444255239.db2.gz SHJCHTMQJNHBTB-GFCCVEGCSA-N 1 1 335.408 1.732 20 5 EDBDMO CC[N@@H+](CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000296871144 444259329 /nfs/dbraw/zinc/25/93/29/444259329.db2.gz HAJVTCDJJUHWSP-UHFFFAOYSA-N 1 1 333.392 1.123 20 5 EDBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)CN2CCOCC2)C2CC2)c1 ZINC000305130292 444260025 /nfs/dbraw/zinc/26/00/25/444260025.db2.gz JQXIHJOZPNZRMV-QGZVFWFLSA-N 1 1 335.404 1.252 20 5 EDBDMO Cc1cc(NC(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000296961415 444265556 /nfs/dbraw/zinc/26/55/56/444265556.db2.gz WLFIPVVDNVHUQM-IUODEOHRSA-N 1 1 336.392 1.822 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000289986465 444227654 /nfs/dbraw/zinc/22/76/54/444227654.db2.gz DDRZRHLQIIZRLU-UHFFFAOYSA-N 1 1 336.436 1.479 20 5 EDBDMO CN(CCCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000289986465 444227656 /nfs/dbraw/zinc/22/76/56/444227656.db2.gz DDRZRHLQIIZRLU-UHFFFAOYSA-N 1 1 336.436 1.479 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000298054905 444399767 /nfs/dbraw/zinc/39/97/67/444399767.db2.gz FRBHUHJBYPUNAK-SMDDNHRTSA-N 1 1 337.376 1.777 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000340735814 444493845 /nfs/dbraw/zinc/49/38/45/444493845.db2.gz JEPZQZQMUWWIQY-KBPBESRZSA-N 1 1 349.431 1.786 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000340735814 444493847 /nfs/dbraw/zinc/49/38/47/444493847.db2.gz JEPZQZQMUWWIQY-KBPBESRZSA-N 1 1 349.431 1.786 20 5 EDBDMO C[C@]1(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000580340445 322039883 /nfs/dbraw/zinc/03/98/83/322039883.db2.gz WBNMDZPJWFILLT-INIZCTEOSA-N 1 1 329.360 1.712 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000580442864 322052363 /nfs/dbraw/zinc/05/23/63/322052363.db2.gz WRMAYROLCDKYMQ-ZFWWWQNUSA-N 1 1 336.388 1.978 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCC[NH+]1CCOCC1 ZINC000341260008 444752319 /nfs/dbraw/zinc/75/23/19/444752319.db2.gz MJUAXEJQPYUWPI-UHFFFAOYSA-N 1 1 337.376 1.824 20 5 EDBDMO Cn1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000344431520 444966376 /nfs/dbraw/zinc/96/63/76/444966376.db2.gz WUKBWOJTTBSGBB-AWEZNQCLSA-N 1 1 328.372 1.938 20 5 EDBDMO COc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC ZINC000344515034 445026916 /nfs/dbraw/zinc/02/69/16/445026916.db2.gz CVOUYPLWLYJGDL-LLVKDONJSA-N 1 1 344.389 1.279 20 5 EDBDMO C[C@H](CS(C)(=O)=O)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337255884 445005695 /nfs/dbraw/zinc/00/56/95/445005695.db2.gz SCRZIFGYBIFGQG-LLVKDONJSA-N 1 1 343.405 1.288 20 5 EDBDMO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337255884 445005697 /nfs/dbraw/zinc/00/56/97/445005697.db2.gz SCRZIFGYBIFGQG-LLVKDONJSA-N 1 1 343.405 1.288 20 5 EDBDMO COc1cc(C(=O)N(C)C[C@H]2C[C@@H](OC)C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000344502947 445017587 /nfs/dbraw/zinc/01/75/87/445017587.db2.gz CJLQUOZWDRTINJ-CHWSQXEVSA-N 1 1 337.376 1.395 20 5 EDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000344607421 445084779 /nfs/dbraw/zinc/08/47/79/445084779.db2.gz LBOBQICMJWVSCN-CYBMUJFWSA-N 1 1 337.424 1.763 20 5 EDBDMO CCOc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000330670626 445089157 /nfs/dbraw/zinc/08/91/57/445089157.db2.gz MIEOEXZAOGNZNI-LLVKDONJSA-N 1 1 337.376 1.778 20 5 EDBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000330670626 445089161 /nfs/dbraw/zinc/08/91/61/445089161.db2.gz MIEOEXZAOGNZNI-LLVKDONJSA-N 1 1 337.376 1.778 20 5 EDBDMO CO[C@H]1C[C@H](CO)[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000344671765 445119180 /nfs/dbraw/zinc/11/91/80/445119180.db2.gz GAGVIYBGEUALBF-OLZOCXBDSA-N 1 1 337.376 1.313 20 5 EDBDMO COc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000343221017 445147035 /nfs/dbraw/zinc/14/70/35/445147035.db2.gz ILIFHSXOVBJKEP-GFCCVEGCSA-N 1 1 339.417 1.657 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000354503119 445267002 /nfs/dbraw/zinc/26/70/02/445267002.db2.gz POEPNDCVDGGWRH-LBPRGKRZSA-N 1 1 336.392 1.568 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000354578014 445301928 /nfs/dbraw/zinc/30/19/28/445301928.db2.gz XQNYBOQFRSSGKZ-UHFFFAOYSA-N 1 1 325.365 1.302 20 5 EDBDMO O=C1C[NH2+]CCN1[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000362667711 445488515 /nfs/dbraw/zinc/48/85/15/445488515.db2.gz HCQIFQBMVODKCM-AWEZNQCLSA-N 1 1 336.367 1.130 20 5 EDBDMO CC(=O)NCCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353440615 445603268 /nfs/dbraw/zinc/60/32/68/445603268.db2.gz ZMBOUJFISILNCH-HNNXBMFYSA-N 1 1 331.376 1.534 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000363063169 445665320 /nfs/dbraw/zinc/66/53/20/445665320.db2.gz WDEHETQZBNVLBG-MWLCHTKSSA-N 1 1 341.314 1.466 20 5 EDBDMO COc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000349784739 445677780 /nfs/dbraw/zinc/67/77/80/445677780.db2.gz RLCWEHMLNUSCNO-NSHDSACASA-N 1 1 345.421 1.610 20 5 EDBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cn1 ZINC000363134499 445690708 /nfs/dbraw/zinc/69/07/08/445690708.db2.gz HXRJRNJVNYYJBW-GFCCVEGCSA-N 1 1 343.387 1.492 20 5 EDBDMO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000353753690 445740121 /nfs/dbraw/zinc/74/01/21/445740121.db2.gz XOSGABIGGXJTJD-CYBMUJFWSA-N 1 1 336.344 1.989 20 5 EDBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000353753690 445740122 /nfs/dbraw/zinc/74/01/22/445740122.db2.gz XOSGABIGGXJTJD-CYBMUJFWSA-N 1 1 336.344 1.989 20 5 EDBDMO CN(CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000363269982 445748986 /nfs/dbraw/zinc/74/89/86/445748986.db2.gz QBNRBPQFPSHFHV-UONOGXRCSA-N 1 1 348.403 1.010 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000361687657 445877456 /nfs/dbraw/zinc/87/74/56/445877456.db2.gz UAORKSQZSTXOHC-CHWSQXEVSA-N 1 1 348.403 1.749 20 5 EDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCn2ccnc2C1 ZINC000366007375 445958103 /nfs/dbraw/zinc/95/81/03/445958103.db2.gz QEFCHMKSPSWBBA-LBPRGKRZSA-N 1 1 343.387 1.585 20 5 EDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000361816159 445970157 /nfs/dbraw/zinc/97/01/57/445970157.db2.gz UMBCCGHFJCBASC-UHFFFAOYSA-N 1 1 349.435 1.906 20 5 EDBDMO O=C(CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)Nc1cccnc1 ZINC000361864960 446018359 /nfs/dbraw/zinc/01/83/59/446018359.db2.gz HPHVMFPGGURHGL-UHFFFAOYSA-N 1 1 327.344 1.772 20 5 EDBDMO COc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000361905196 446054426 /nfs/dbraw/zinc/05/44/26/446054426.db2.gz CVHDAWBSDXNMQZ-SMDDNHRTSA-N 1 1 349.387 1.778 20 5 EDBDMO CC(C)n1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000583867204 326155213 /nfs/dbraw/zinc/15/52/13/326155213.db2.gz VSTNQLHUZNOBBO-AWEZNQCLSA-N 1 1 334.376 1.902 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000354284444 446080790 /nfs/dbraw/zinc/08/07/90/446080790.db2.gz WYFATFLUXZWXPF-NSHDSACASA-N 1 1 325.390 1.418 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000354284444 446080798 /nfs/dbraw/zinc/08/07/98/446080798.db2.gz WYFATFLUXZWXPF-NSHDSACASA-N 1 1 325.390 1.418 20 5 EDBDMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351517615 446120836 /nfs/dbraw/zinc/12/08/36/446120836.db2.gz OKHNXRKSPXAWNN-UHFFFAOYSA-N 1 1 340.355 1.521 20 5 EDBDMO O=C(C[N@H+]1CC[C@H]([C@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000366659689 446297219 /nfs/dbraw/zinc/29/72/19/446297219.db2.gz WBVWEABVWGPHDE-GJZGRUSLSA-N 1 1 345.399 1.842 20 5 EDBDMO COc1cc(OCC(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000375022633 446520641 /nfs/dbraw/zinc/52/06/41/446520641.db2.gz SADNCZCLBLFGOG-IUODEOHRSA-N 1 1 349.387 1.535 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000375025537 446524442 /nfs/dbraw/zinc/52/44/42/446524442.db2.gz ZNIPJQRWHXLTAX-XJKCOSOUSA-N 1 1 332.404 1.948 20 5 EDBDMO 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348.428 1.644 20 5 EDBDMO O=C(C[N@H+]1CC[C@H](CCO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741801806 579429310 /nfs/dbraw/zinc/42/93/10/579429310.db2.gz LITXPLDOFSOFCS-SNVBAGLBSA-N 1 1 327.768 1.891 20 5 EDBDMO O=C(C[N@@H+]1CC[C@H](CCO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741801806 579429311 /nfs/dbraw/zinc/42/93/11/579429311.db2.gz LITXPLDOFSOFCS-SNVBAGLBSA-N 1 1 327.768 1.891 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000725899029 578302962 /nfs/dbraw/zinc/30/29/62/578302962.db2.gz ZJEHXBCGVJXYIT-OLZOCXBDSA-N 1 1 344.371 1.669 20 5 EDBDMO Cc1nn(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000732191544 578696632 /nfs/dbraw/zinc/69/66/32/578696632.db2.gz QTRNDXOSVDJIGF-AWEZNQCLSA-N 1 1 335.408 1.700 20 5 EDBDMO Cc1nn(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000732191544 578696634 /nfs/dbraw/zinc/69/66/34/578696634.db2.gz QTRNDXOSVDJIGF-AWEZNQCLSA-N 1 1 335.408 1.700 20 5 EDBDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000760907698 580041146 /nfs/dbraw/zinc/04/11/46/580041146.db2.gz ONBKKWRKCFNVBZ-UKRRQHHQSA-N 1 1 334.376 1.164 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000735221604 578868104 /nfs/dbraw/zinc/86/81/04/578868104.db2.gz RJZGLMTYUJAXJI-HNNXBMFYSA-N 1 1 344.371 1.917 20 5 EDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736265350 578970187 /nfs/dbraw/zinc/97/01/87/578970187.db2.gz IHWSTPAHCGBNHN-GHMZBOCLSA-N 1 1 346.395 1.702 20 5 EDBDMO CC[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000754224685 579898803 /nfs/dbraw/zinc/89/88/03/579898803.db2.gz NGMNZAKZSMVVIH-NSHDSACASA-N 1 1 325.340 1.665 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)OCC[NH+]2CCSCC2)c1 ZINC000757928446 579973238 /nfs/dbraw/zinc/97/32/38/579973238.db2.gz AKJCRIONHYPNBJ-UHFFFAOYSA-N 1 1 326.374 1.809 20 5 EDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781951650 580561152 /nfs/dbraw/zinc/56/11/52/580561152.db2.gz ZQUVLLRXKIRXNC-ZBEGNZNMSA-N 1 1 344.371 1.441 20 5 EDBDMO O=C1C[C@@]2(CC[N@H+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C2)CN1 ZINC000788382848 580720256 /nfs/dbraw/zinc/72/02/56/580720256.db2.gz HJMLEHAPWIXVOM-KRWDZBQOSA-N 1 1 341.371 1.628 20 5 EDBDMO COC(=O)C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC000792878051 580829908 /nfs/dbraw/zinc/82/99/08/580829908.db2.gz RRBNIZHCGJCLFD-AWEZNQCLSA-N 1 1 339.304 1.315 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000793769324 580855365 /nfs/dbraw/zinc/85/53/65/580855365.db2.gz UCZNIPGGJZMIPT-MRXNPFEDSA-N 1 1 332.360 1.488 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC000794929993 580908431 /nfs/dbraw/zinc/90/84/31/580908431.db2.gz QMCXNUGINRQGBA-IAQYHMDHSA-N 1 1 336.367 1.698 20 5 EDBDMO CN1C[C@H]2CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC000794929993 580908432 /nfs/dbraw/zinc/90/84/32/580908432.db2.gz QMCXNUGINRQGBA-IAQYHMDHSA-N 1 1 336.367 1.698 20 5 EDBDMO CN1C[C@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC000794929993 580908433 /nfs/dbraw/zinc/90/84/33/580908433.db2.gz QMCXNUGINRQGBA-IAQYHMDHSA-N 1 1 336.367 1.698 20 5 EDBDMO CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000796558606 580956443 /nfs/dbraw/zinc/95/64/43/580956443.db2.gz XGKRBKSLIXBBRS-BRWVUGGUSA-N 1 1 336.388 1.898 20 5 EDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000796558606 580956444 /nfs/dbraw/zinc/95/64/44/580956444.db2.gz XGKRBKSLIXBBRS-BRWVUGGUSA-N 1 1 336.388 1.898 20 5 EDBDMO C[N@H+]1CC[C@](O)(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC000893187141 590701577 /nfs/dbraw/zinc/70/15/77/590701577.db2.gz LPZHVXDJHPLEPS-HNNXBMFYSA-N 1 1 336.779 1.697 20 5 EDBDMO COc1ccc(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000892211684 590865485 /nfs/dbraw/zinc/86/54/85/590865485.db2.gz LBDYLTZEXRWARW-TZMCWYRMSA-N 1 1 334.376 1.449 20 5 EDBDMO COc1c(O)ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000891498287 591094815 /nfs/dbraw/zinc/09/48/15/591094815.db2.gz MCQRYYCBZXJXHR-UHFFFAOYSA-N 1 1 337.376 1.609 20 5 EDBDMO COCC[N@@H+]1CCC[C@@H]1CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892866572 591208034 /nfs/dbraw/zinc/20/80/34/591208034.db2.gz RUOGPPTYCJHLAJ-CYBMUJFWSA-N 1 1 339.392 1.509 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892866572 591208036 /nfs/dbraw/zinc/20/80/36/591208036.db2.gz RUOGPPTYCJHLAJ-CYBMUJFWSA-N 1 1 339.392 1.509 20 5 EDBDMO C[N@H+]1CC[C@H]1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000895771865 591270410 /nfs/dbraw/zinc/27/04/10/591270410.db2.gz RLNLWZABTSLUAY-ZDUSSCGKSA-N 1 1 334.376 1.183 20 5 EDBDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000898461322 591363419 /nfs/dbraw/zinc/36/34/19/591363419.db2.gz GIZRMOFBQVCGRO-CQSZACIVSA-N 1 1 330.344 1.802 20 5 EDBDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000898461322 591363424 /nfs/dbraw/zinc/36/34/24/591363424.db2.gz GIZRMOFBQVCGRO-CQSZACIVSA-N 1 1 330.344 1.802 20 5 EDBDMO C[C@H](C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000896541015 591504706 /nfs/dbraw/zinc/50/47/06/591504706.db2.gz BZJQMUFHUCFWGA-HEHGZKQESA-N 1 1 334.420 1.449 20 5 EDBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)s1 ZINC000897220563 591774067 /nfs/dbraw/zinc/77/40/67/591774067.db2.gz XNQUBUDSFDOGCX-VXGBXAGGSA-N 1 1 349.416 1.635 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000897222536 591777318 /nfs/dbraw/zinc/77/73/18/591777318.db2.gz VOKKBXRMNWUTDL-ZIAGYGMSSA-N 1 1 349.387 1.417 20 5 EDBDMO C[C@H]1[C@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC[N@H+]1C ZINC000900666527 592085332 /nfs/dbraw/zinc/08/53/32/592085332.db2.gz NKJYJXDQSUXCNI-BLLLJJGKSA-N 1 1 343.387 1.662 20 5 EDBDMO C/C(=C/C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000900801365 592142498 /nfs/dbraw/zinc/14/24/98/592142498.db2.gz CSEYHKUDHAARIO-LIQNAMIISA-N 1 1 346.431 1.749 20 5 EDBDMO C/C(=C/C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000900801365 592142502 /nfs/dbraw/zinc/14/25/02/592142502.db2.gz CSEYHKUDHAARIO-LIQNAMIISA-N 1 1 346.431 1.749 20 5 EDBDMO C/C(=C/C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000900801365 592142505 /nfs/dbraw/zinc/14/25/05/592142505.db2.gz CSEYHKUDHAARIO-LIQNAMIISA-N 1 1 346.431 1.749 20 5 EDBDMO O=[N+]([O-])c1cccc(N2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903736968 592299010 /nfs/dbraw/zinc/29/90/10/592299010.db2.gz ODMZLUYEFNJQES-QZTJIDSGSA-N 1 1 346.431 1.485 20 5 EDBDMO Cc1cc(N2CC[C@@H]([NH2+]CC[N+](=O)[O-])C2=O)ccc1Br ZINC000905214463 592469329 /nfs/dbraw/zinc/46/93/29/592469329.db2.gz IDNVOUYVOVVECB-GFCCVEGCSA-N 1 1 342.193 1.729 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000910295728 592833341 /nfs/dbraw/zinc/83/33/41/592833341.db2.gz WTPOBPRYCDBNCF-NSHDSACASA-N 1 1 335.360 1.880 20 5 EDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000838142808 593133687 /nfs/dbraw/zinc/13/36/87/593133687.db2.gz BMKHSHIDFSQMKE-ZDUSSCGKSA-N 1 1 349.387 1.634 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000840093029 593167940 /nfs/dbraw/zinc/16/79/40/593167940.db2.gz FXIHEQRBNRUVEW-NSHDSACASA-N 1 1 332.360 1.174 20 5 EDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2[nH+]ccn2C)CC1 ZINC000807981364 593213526 /nfs/dbraw/zinc/21/35/26/593213526.db2.gz GXXIMIUCTXOAKI-UHFFFAOYSA-N 1 1 329.360 1.858 20 5 EDBDMO O=C(COc1cccc([N+](=O)[O-])c1)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000838910335 593230906 /nfs/dbraw/zinc/23/09/06/593230906.db2.gz UATHKUQTGSVZMT-OTVXOJSOSA-N 1 1 336.344 1.380 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](N(C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000840151616 593301738 /nfs/dbraw/zinc/30/17/38/593301738.db2.gz IFDQUZGJZDAIGM-LBPRGKRZSA-N 1 1 346.387 1.563 20 5 EDBDMO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(OC)c1 ZINC000839482355 593305783 /nfs/dbraw/zinc/30/57/83/593305783.db2.gz ZWBZJPZXXJFNDW-OAGGEKHMSA-N 1 1 335.404 1.860 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840175311 593338181 /nfs/dbraw/zinc/33/81/81/593338181.db2.gz SPXLBADIBJWQTF-LLVKDONJSA-N 1 1 332.364 1.016 20 5 EDBDMO COC(=O)[C@H]1CSCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839677726 593369440 /nfs/dbraw/zinc/36/94/40/593369440.db2.gz VFLLDINGMRROLM-TZMCWYRMSA-N 1 1 340.401 1.466 20 5 EDBDMO CON(C)C(=O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000812869847 593511470 /nfs/dbraw/zinc/51/14/70/593511470.db2.gz NVMBRNBFTAVADO-UHFFFAOYSA-N 1 1 325.340 1.966 20 5 EDBDMO O=C(CCn1cccn1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170715 593521448 /nfs/dbraw/zinc/52/14/48/593521448.db2.gz KPKFENCHEDGXCU-INIZCTEOSA-N 1 1 344.371 1.999 20 5 EDBDMO O=C(CCn1cccn1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170715 593521450 /nfs/dbraw/zinc/52/14/50/593521450.db2.gz KPKFENCHEDGXCU-INIZCTEOSA-N 1 1 344.371 1.999 20 5 EDBDMO CN(C)c1cc(F)c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000816953697 593563247 /nfs/dbraw/zinc/56/32/47/593563247.db2.gz MFIITCGFQONNMJ-ZUZCIYMTSA-N 1 1 336.367 1.576 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000817490587 593607454 /nfs/dbraw/zinc/60/74/54/593607454.db2.gz HEDIONIZFFBYLQ-MLGOLLRUSA-N 1 1 346.387 1.640 20 5 EDBDMO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840392845 593762611 /nfs/dbraw/zinc/76/26/11/593762611.db2.gz AIUIKBOACFIKCA-RRCSTGOVSA-N 1 1 331.416 1.924 20 5 EDBDMO Cc1nn(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000819896589 593774980 /nfs/dbraw/zinc/77/49/80/593774980.db2.gz IEIUOMULYMPYPQ-GFCCVEGCSA-N 1 1 342.363 1.534 20 5 EDBDMO Cc1nn(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000819896589 593774981 /nfs/dbraw/zinc/77/49/81/593774981.db2.gz IEIUOMULYMPYPQ-GFCCVEGCSA-N 1 1 342.363 1.534 20 5 EDBDMO O=[N+]([O-])c1cnn(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000819897718 593775017 /nfs/dbraw/zinc/77/50/17/593775017.db2.gz UJOKQIJQPPGWSX-DOTOQJQBSA-N 1 1 327.388 1.955 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000822689863 594086213 /nfs/dbraw/zinc/08/62/13/594086213.db2.gz IJBFJAYNMJXJMA-UHFFFAOYSA-N 1 1 348.447 1.967 20 5 EDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@H+]1C ZINC000827739225 594268847 /nfs/dbraw/zinc/26/88/47/594268847.db2.gz LQAHCSUKYVMSKV-MNOVXSKESA-N 1 1 338.383 1.965 20 5 EDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1C ZINC000827739225 594268849 /nfs/dbraw/zinc/26/88/49/594268849.db2.gz LQAHCSUKYVMSKV-MNOVXSKESA-N 1 1 338.383 1.965 20 5 EDBDMO COCC[N@@H+]1[C@H](C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000830070589 594330099 /nfs/dbraw/zinc/33/00/99/594330099.db2.gz WQCMXMSUQDTRQV-JKIFEVAISA-N 1 1 337.420 1.669 20 5 EDBDMO COCCN1[C@H](C)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000830070589 594330100 /nfs/dbraw/zinc/33/01/00/594330100.db2.gz WQCMXMSUQDTRQV-JKIFEVAISA-N 1 1 337.420 1.669 20 5 EDBDMO COCCN1[C@H](C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000830070589 594330101 /nfs/dbraw/zinc/33/01/01/594330101.db2.gz WQCMXMSUQDTRQV-JKIFEVAISA-N 1 1 337.420 1.669 20 5 EDBDMO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000827308505 594659804 /nfs/dbraw/zinc/65/98/04/594659804.db2.gz BRUSKFWEAWWZEP-ZIAGYGMSSA-N 1 1 332.404 1.584 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827321845 594661073 /nfs/dbraw/zinc/66/10/73/594661073.db2.gz WKNNWQRMANVZHA-KBPBESRZSA-N 1 1 347.371 1.339 20 5 EDBDMO C[NH+]1CCN(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000827472999 594675645 /nfs/dbraw/zinc/67/56/45/594675645.db2.gz FNTMOEOYTWTMFX-UHFFFAOYSA-N 1 1 332.404 1.447 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H](C)C1 ZINC000832489710 594754082 /nfs/dbraw/zinc/75/40/82/594754082.db2.gz AWKCEDYNBIFVTM-QWRGUYRKSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H](C)C1 ZINC000832489710 594754083 /nfs/dbraw/zinc/75/40/83/594754083.db2.gz AWKCEDYNBIFVTM-QWRGUYRKSA-N 1 1 325.340 1.261 20 5 EDBDMO Cc1c(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834314991 595091846 /nfs/dbraw/zinc/09/18/46/595091846.db2.gz SKKWACHRFFCXQW-YGRLFVJLSA-N 1 1 334.332 1.588 20 5 EDBDMO CC(C)C[N@@H+](C)CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000845957494 595104982 /nfs/dbraw/zinc/10/49/82/595104982.db2.gz PTYSVIZKFXAIST-UHFFFAOYSA-N 1 1 335.451 1.913 20 5 EDBDMO C[N@H+]1CC[C@H](CCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000847828045 595488958 /nfs/dbraw/zinc/48/89/58/595488958.db2.gz KGPLYIHSKOQMJI-LLVKDONJSA-N 1 1 336.344 1.865 20 5 EDBDMO O=C1N(C[N@@H+]2CCC3(COC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000853597182 595823706 /nfs/dbraw/zinc/82/37/06/595823706.db2.gz DTMWNJZSIGXFDA-UHFFFAOYSA-N 1 1 332.360 1.517 20 5 EDBDMO O=C1N(C[N@H+]2CCC3(COC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000853597182 595823707 /nfs/dbraw/zinc/82/37/07/595823707.db2.gz DTMWNJZSIGXFDA-UHFFFAOYSA-N 1 1 332.360 1.517 20 5 EDBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000861343437 595950491 /nfs/dbraw/zinc/95/04/91/595950491.db2.gz HZCMSAHPAULXSE-HOCLYGCPSA-N 1 1 338.360 1.626 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CCN2CCOCC2)CC2CC2)cc1 ZINC000852636431 596215154 /nfs/dbraw/zinc/21/51/54/596215154.db2.gz UNFFONYEILIPCY-SFHVURJKSA-N 1 1 349.431 1.672 20 5 EDBDMO Cn1cc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000862545338 596344002 /nfs/dbraw/zinc/34/40/02/596344002.db2.gz PHRBTQAXLMENNQ-UKRRQHHQSA-N 1 1 342.355 1.600 20 5 EDBDMO C[C@@]([NH3+])(C(=O)N1CCN(C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000870886506 596390380 /nfs/dbraw/zinc/39/03/80/596390380.db2.gz LZYAOZGCBOULOP-KRWDZBQOSA-N 1 1 332.404 1.465 20 5 EDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000865061332 596459233 /nfs/dbraw/zinc/45/92/33/596459233.db2.gz XVKNRKHYYZWAQO-QWHCGFSZSA-N 1 1 337.351 1.256 20 5 EDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865195520 596510261 /nfs/dbraw/zinc/51/02/61/596510261.db2.gz LRSRKKUSHRDFCO-CYBMUJFWSA-N 1 1 339.367 1.503 20 5 EDBDMO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863323043 596550420 /nfs/dbraw/zinc/55/04/20/596550420.db2.gz ZHUVILWSNJRBEF-TXEJJXNPSA-N 1 1 330.348 1.007 20 5 EDBDMO C[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863323043 596550422 /nfs/dbraw/zinc/55/04/22/596550422.db2.gz ZHUVILWSNJRBEF-TXEJJXNPSA-N 1 1 330.348 1.007 20 5 EDBDMO C[C@@H](CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)[N@@H+](C)C1CC1 ZINC000863504121 596603773 /nfs/dbraw/zinc/60/37/73/596603773.db2.gz ZLOVJQYOBSHYEV-APPDUMDISA-N 1 1 346.387 1.845 20 5 EDBDMO C[C@@H]1C[C@H](N(C)C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000867947056 596629476 /nfs/dbraw/zinc/62/94/76/596629476.db2.gz YAERLDNEXKUQAQ-SUYBPPKGSA-N 1 1 334.420 1.710 20 5 EDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000123958981 596807020 /nfs/dbraw/zinc/80/70/20/596807020.db2.gz HSMYKGUZJHLSDE-NXEZZACHSA-N 1 1 347.824 1.928 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)CC[C@H]21 ZINC000872724799 597047401 /nfs/dbraw/zinc/04/74/01/597047401.db2.gz XQFKQYPINZLJFL-VXGBXAGGSA-N 1 1 332.360 1.486 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000876751445 597322452 /nfs/dbraw/zinc/32/24/52/597322452.db2.gz QHQAEKBTJALFGW-GFCCVEGCSA-N 1 1 327.406 1.335 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000876751445 597322455 /nfs/dbraw/zinc/32/24/55/597322455.db2.gz QHQAEKBTJALFGW-GFCCVEGCSA-N 1 1 327.406 1.335 20 5 EDBDMO CS(=O)(=O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000876976006 597402746 /nfs/dbraw/zinc/40/27/46/597402746.db2.gz LEGXCFJXTRYPGD-UHFFFAOYSA-N 1 1 343.224 1.553 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]21 ZINC000877744425 597552374 /nfs/dbraw/zinc/55/23/74/597552374.db2.gz STTFCSPIXVKYGP-LRDDRELGSA-N 1 1 333.388 1.987 20 5 EDBDMO COc1ccc([C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCN2)cc1 ZINC000879520618 597615248 /nfs/dbraw/zinc/61/52/48/597615248.db2.gz GXKBIJPOEYURMF-OAHLLOKOSA-N 1 1 331.376 1.446 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879576072 597638954 /nfs/dbraw/zinc/63/89/54/597638954.db2.gz PQBIDVXMDMKPDL-DVOMOZLQSA-N 1 1 332.404 1.948 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879576305 597639103 /nfs/dbraw/zinc/63/91/03/597639103.db2.gz UQBZPEPLVMKHBF-CZUORRHYSA-N 1 1 332.404 1.949 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880582501 597970302 /nfs/dbraw/zinc/97/03/02/597970302.db2.gz OVIVHZKGXNYSNL-CVEARBPZSA-N 1 1 336.388 1.492 20 5 EDBDMO O=C(NCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152546648 695261769 /nfs/dbraw/zinc/26/17/69/695261769.db2.gz JVMKAWXGGOAUDZ-UHFFFAOYSA-N 1 1 327.768 1.700 20 5 EDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000916054718 696617261 /nfs/dbraw/zinc/61/72/61/696617261.db2.gz WFFOBNXGNNXKCC-ZDUSSCGKSA-N 1 1 345.403 1.935 20 5 EDBDMO CCn1nccc1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031632525 697374900 /nfs/dbraw/zinc/37/49/00/697374900.db2.gz ACUPTRHYHIQGAD-UHFFFAOYSA-N 1 1 343.387 1.673 20 5 EDBDMO Cn1cncc1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031818833 699548331 /nfs/dbraw/zinc/54/83/31/699548331.db2.gz DOFWOLHBEJTJQS-UHFFFAOYSA-N 1 1 329.360 1.190 20 5 EDBDMO COc1ccc(C)cc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996439550 702769181 /nfs/dbraw/zinc/76/91/81/702769181.db2.gz FKLLLPOMJWQFDX-HZPDHXFCSA-N 1 1 347.415 1.749 20 5 EDBDMO CC(C)(C)n1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000996430092 702784104 /nfs/dbraw/zinc/78/41/04/702784104.db2.gz ZOYOJMGGEMKDTP-HUUCEWRRSA-N 1 1 349.435 1.384 20 5 EDBDMO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1cnns1 ZINC001002412334 708919791 /nfs/dbraw/zinc/91/97/91/708919791.db2.gz PJRIEVNNGSTURF-UHFFFAOYSA-N 1 1 347.400 1.841 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]CCc2ccns2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034645805 710322027 /nfs/dbraw/zinc/32/20/27/710322027.db2.gz WDXQLJTWCJEEGS-HBJVGIJOSA-N 1 1 338.433 1.368 20 5 EDBDMO O=C(NCc1ccc(C[NH2+]Cc2ccccn2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001034815675 711194665 /nfs/dbraw/zinc/19/46/65/711194665.db2.gz APOPZUIDEYLPRJ-IAGOWNOFSA-N 1 1 340.383 1.653 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000104063674 219343588 /nfs/dbraw/zinc/34/35/88/219343588.db2.gz AHSBVXFTXAGSEF-INIZCTEOSA-N 1 1 348.403 1.688 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000104063674 219343590 /nfs/dbraw/zinc/34/35/90/219343590.db2.gz AHSBVXFTXAGSEF-INIZCTEOSA-N 1 1 348.403 1.688 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CCNC(=O)C2(C)C)cccc1[N+](=O)[O-] ZINC000104073378 219344997 /nfs/dbraw/zinc/34/49/97/219344997.db2.gz PZKFWBLBLQFYNM-UHFFFAOYSA-N 1 1 334.376 1.442 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCNC(=O)C2(C)C)cccc1[N+](=O)[O-] ZINC000104073378 219345000 /nfs/dbraw/zinc/34/50/00/219345000.db2.gz PZKFWBLBLQFYNM-UHFFFAOYSA-N 1 1 334.376 1.442 20 5 EDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000440831184 305213152 /nfs/dbraw/zinc/21/31/52/305213152.db2.gz IEYIIBUSLVTRRH-GFCCVEGCSA-N 1 1 327.406 1.666 20 5 EDBDMO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000412700465 304028259 /nfs/dbraw/zinc/02/82/59/304028259.db2.gz QTNXLZJIQSHYCV-CQSZACIVSA-N 1 1 343.387 1.524 20 5 EDBDMO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000412700465 304028261 /nfs/dbraw/zinc/02/82/61/304028261.db2.gz QTNXLZJIQSHYCV-CQSZACIVSA-N 1 1 343.387 1.524 20 5 EDBDMO C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181647562 234267658 /nfs/dbraw/zinc/26/76/58/234267658.db2.gz HDLRBUXARKGQFB-QWHCGFSZSA-N 1 1 335.408 1.561 20 5 EDBDMO C[C@]1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000563233125 306324252 /nfs/dbraw/zinc/32/42/52/306324252.db2.gz FHDPLEVOVJMOCC-KRWDZBQOSA-N 1 1 343.387 1.572 20 5 EDBDMO CC[N@@H+]1CCO[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081434193 138266413 /nfs/dbraw/zinc/26/64/13/138266413.db2.gz WZOPQHFGLSEMPG-MRXNPFEDSA-N 1 1 335.404 1.754 20 5 EDBDMO CC[N@H+]1CCO[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081434193 138266414 /nfs/dbraw/zinc/26/64/14/138266414.db2.gz WZOPQHFGLSEMPG-MRXNPFEDSA-N 1 1 335.404 1.754 20 5 EDBDMO COC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@H+](C)C1 ZINC000413508255 304064538 /nfs/dbraw/zinc/06/45/38/304064538.db2.gz XGHFIGDLKZCGBG-SECBINFHSA-N 1 1 328.756 1.184 20 5 EDBDMO COC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+](C)C1 ZINC000413508255 304064540 /nfs/dbraw/zinc/06/45/40/304064540.db2.gz XGHFIGDLKZCGBG-SECBINFHSA-N 1 1 328.756 1.184 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1nc(CO)cs1 ZINC000564084056 306355331 /nfs/dbraw/zinc/35/53/31/306355331.db2.gz GSTRVSHEAXYDTG-NSHDSACASA-N 1 1 339.373 1.073 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000072639687 216286467 /nfs/dbraw/zinc/28/64/67/216286467.db2.gz RKKOWZVQRRYZRJ-OCCSQVGLSA-N 1 1 346.387 1.537 20 5 EDBDMO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](C2CC2)CC1 ZINC000111584016 220168439 /nfs/dbraw/zinc/16/84/39/220168439.db2.gz MDXZPKVDEMMANY-UHFFFAOYSA-N 1 1 342.355 1.357 20 5 EDBDMO Cc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245438238 139074685 /nfs/dbraw/zinc/07/46/85/139074685.db2.gz XQAQXLYCSJXJJB-STQMWFEESA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245438238 139074686 /nfs/dbraw/zinc/07/46/86/139074686.db2.gz XQAQXLYCSJXJJB-STQMWFEESA-N 1 1 336.392 1.822 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000246141454 139096426 /nfs/dbraw/zinc/09/64/26/139096426.db2.gz KKDUUTBGTHQBIY-VHSXEESVSA-N 1 1 333.435 1.617 20 5 EDBDMO Cc1nn(C)c(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000262104790 139251324 /nfs/dbraw/zinc/25/13/24/139251324.db2.gz ZMHLDIBHYFAIFN-CYBMUJFWSA-N 1 1 347.350 1.563 20 5 EDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H](C)C1 ZINC000488711333 255050080 /nfs/dbraw/zinc/05/00/80/255050080.db2.gz HHEDVRPPIWTPCZ-WDMOLILDSA-N 1 1 333.392 1.255 20 5 EDBDMO Cc1sc(S(=O)(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000490628023 255095863 /nfs/dbraw/zinc/09/58/63/255095863.db2.gz RJIBSQJRPAZOCS-ZDUSSCGKSA-N 1 1 345.446 1.681 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000492303085 255169117 /nfs/dbraw/zinc/16/91/17/255169117.db2.gz AQQMYWCTLIVILT-SREVYHEPSA-N 1 1 347.415 1.913 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492592939 255181859 /nfs/dbraw/zinc/18/18/59/255181859.db2.gz JHWZOMPSCFKYRV-XQRVVYSFSA-N 1 1 325.340 1.178 20 5 EDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000493498918 255212327 /nfs/dbraw/zinc/21/23/27/255212327.db2.gz RZEOFBUHYOBFOG-KIUWMYQTSA-N 1 1 333.388 1.571 20 5 EDBDMO CC[C@@]1(O)CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000495225770 255274157 /nfs/dbraw/zinc/27/41/57/255274157.db2.gz ATIJLDCRBZWDHD-MRXNPFEDSA-N 1 1 335.360 1.740 20 5 EDBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)NC ZINC000118832617 221192733 /nfs/dbraw/zinc/19/27/33/221192733.db2.gz ZIUCCUNSWHJMKC-UHFFFAOYSA-N 1 1 336.392 1.690 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000154756061 224300413 /nfs/dbraw/zinc/30/04/13/224300413.db2.gz HYWSJSWYJYIYFL-KBPBESRZSA-N 1 1 335.408 1.433 20 5 EDBDMO CCNC(=O)C[N@H+](CC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000119286512 221285696 /nfs/dbraw/zinc/28/56/96/221285696.db2.gz QOTXODKFWDGLHE-UHFFFAOYSA-N 1 1 345.403 1.953 20 5 EDBDMO CCNC(=O)C[N@@H+](CC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000119286512 221285699 /nfs/dbraw/zinc/28/56/99/221285699.db2.gz QOTXODKFWDGLHE-UHFFFAOYSA-N 1 1 345.403 1.953 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000119422544 221317106 /nfs/dbraw/zinc/31/71/06/221317106.db2.gz PBYDZEHUENCVHI-CQSZACIVSA-N 1 1 331.376 1.977 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000119425138 221318345 /nfs/dbraw/zinc/31/83/45/221318345.db2.gz LTRGFXOPGJLJPC-ZIAGYGMSSA-N 1 1 333.388 1.916 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000264169314 139384151 /nfs/dbraw/zinc/38/41/51/139384151.db2.gz VERUOYQVTQCBOQ-LLVKDONJSA-N 1 1 345.421 1.612 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000266937874 139571096 /nfs/dbraw/zinc/57/10/96/139571096.db2.gz QGFZTSHMGXCKRY-UHFFFAOYSA-N 1 1 344.375 1.089 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000416288982 304303050 /nfs/dbraw/zinc/30/30/50/304303050.db2.gz DXJUNPHHNUKMII-VXGBXAGGSA-N 1 1 346.387 1.603 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271278756 140270129 /nfs/dbraw/zinc/27/01/29/140270129.db2.gz BBRQNJVONZOSJC-ZYHUDNBSSA-N 1 1 347.400 1.956 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000271356998 140284270 /nfs/dbraw/zinc/28/42/70/140284270.db2.gz FSQPNBKUJRSHMB-GXTWGEPZSA-N 1 1 343.387 1.721 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000331481733 141036793 /nfs/dbraw/zinc/03/67/93/141036793.db2.gz JQDARXZERTWPGZ-ZWNOBZJWSA-N 1 1 339.417 1.664 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000331481733 141036794 /nfs/dbraw/zinc/03/67/94/141036794.db2.gz JQDARXZERTWPGZ-ZWNOBZJWSA-N 1 1 339.417 1.664 20 5 EDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000332109180 141124550 /nfs/dbraw/zinc/12/45/50/141124550.db2.gz HYBWCOLTWMEZHX-UHFFFAOYSA-N 1 1 335.404 1.845 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)CC[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416387067 304314152 /nfs/dbraw/zinc/31/41/52/304314152.db2.gz IYUIUTOAKWTMRP-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[N@H+](C)CC[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416387067 304314154 /nfs/dbraw/zinc/31/41/54/304314154.db2.gz IYUIUTOAKWTMRP-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO C[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000340033224 142242209 /nfs/dbraw/zinc/24/22/09/142242209.db2.gz POFGMDVGSPXHFD-UHFFFAOYSA-N 1 1 344.371 1.686 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000344838469 143018176 /nfs/dbraw/zinc/01/81/76/143018176.db2.gz GWPBLPCELGBAKG-SFHVURJKSA-N 1 1 347.415 1.853 20 5 EDBDMO CCOCCC[N@H+]1CC[C@H](NCc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000346553039 143216126 /nfs/dbraw/zinc/21/61/26/143216126.db2.gz FSLYMOOAKBTKNT-KBPBESRZSA-N 1 1 339.440 1.555 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C(N)=O ZINC000346655137 143227162 /nfs/dbraw/zinc/22/71/62/143227162.db2.gz KNJAOBLNJBREDH-SKDRFNHKSA-N 1 1 331.332 1.198 20 5 EDBDMO Cc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000572617790 306595622 /nfs/dbraw/zinc/59/56/22/306595622.db2.gz HXTDDINCCDYFSF-TXEJJXNPSA-N 1 1 327.406 1.583 20 5 EDBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000369709233 155142827 /nfs/dbraw/zinc/14/28/27/155142827.db2.gz OZWIYWKDZZSQGM-HNNXBMFYSA-N 1 1 343.387 1.524 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352666175 149108402 /nfs/dbraw/zinc/10/84/02/149108402.db2.gz GUNSVYOPPGOKIA-KBPBESRZSA-N 1 1 337.376 1.777 20 5 EDBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352872716 149198226 /nfs/dbraw/zinc/19/82/26/149198226.db2.gz FBXPFWQEZMMALO-YDHLFZDLSA-N 1 1 326.397 1.168 20 5 EDBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000352878637 149200784 /nfs/dbraw/zinc/20/07/84/149200784.db2.gz DFJWODPEHPLFOO-AWEZNQCLSA-N 1 1 339.417 1.593 20 5 EDBDMO CCC[N@@H+](CCN1CCCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000353142554 149301951 /nfs/dbraw/zinc/30/19/51/149301951.db2.gz GFQPFLDOEOYUPI-MRXNPFEDSA-N 1 1 339.440 1.350 20 5 EDBDMO CCCN(CC[NH+]1CCCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000353142554 149301952 /nfs/dbraw/zinc/30/19/52/149301952.db2.gz GFQPFLDOEOYUPI-MRXNPFEDSA-N 1 1 339.440 1.350 20 5 EDBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000353513095 149435298 /nfs/dbraw/zinc/43/52/98/149435298.db2.gz HZRZGIWLSRZTSR-LLVKDONJSA-N 1 1 339.367 1.651 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000353513095 149435300 /nfs/dbraw/zinc/43/53/00/149435300.db2.gz HZRZGIWLSRZTSR-LLVKDONJSA-N 1 1 339.367 1.651 20 5 EDBDMO CC(C)(C)OC[C@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369974943 155261976 /nfs/dbraw/zinc/26/19/76/155261976.db2.gz QQBWIFMCIZRNSN-TZMCWYRMSA-N 1 1 326.397 1.604 20 5 EDBDMO Cn1c(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)ccc1[N+](=O)[O-] ZINC000355326875 150219092 /nfs/dbraw/zinc/21/90/92/150219092.db2.gz ZVWKEHPJGCCKNT-CQSZACIVSA-N 1 1 344.371 1.752 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3OC)[C@@H]2C1 ZINC000355347538 150228048 /nfs/dbraw/zinc/22/80/48/150228048.db2.gz PPQMEQGMOWNNAO-CABCVRRESA-N 1 1 349.387 1.539 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000355605269 150333840 /nfs/dbraw/zinc/33/38/40/150333840.db2.gz IMKWZMWXBBNZBM-CYBMUJFWSA-N 1 1 338.360 1.351 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000360651731 152138807 /nfs/dbraw/zinc/13/88/07/152138807.db2.gz IQQIHIRWTFHABK-STQMWFEESA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000361429961 152392968 /nfs/dbraw/zinc/39/29/68/152392968.db2.gz LLKFBJGAZZSGIU-MRXNPFEDSA-N 1 1 346.431 1.755 20 5 EDBDMO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000361568124 152436002 /nfs/dbraw/zinc/43/60/02/152436002.db2.gz XARXYCFKYNSRHE-NHYWBVRUSA-N 1 1 338.360 1.433 20 5 EDBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000361568124 152436005 /nfs/dbraw/zinc/43/60/05/152436005.db2.gz XARXYCFKYNSRHE-NHYWBVRUSA-N 1 1 338.360 1.433 20 5 EDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000417160279 304379119 /nfs/dbraw/zinc/37/91/19/304379119.db2.gz PGNVWPJAZGNSBY-QWRGUYRKSA-N 1 1 340.355 1.653 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000417160279 304379121 /nfs/dbraw/zinc/37/91/21/304379121.db2.gz PGNVWPJAZGNSBY-QWRGUYRKSA-N 1 1 340.355 1.653 20 5 EDBDMO Cc1cc(N2CCO[C@H](C[NH+]3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000362314859 152676609 /nfs/dbraw/zinc/67/66/09/152676609.db2.gz CXVKJYYXBVTFQU-MRXNPFEDSA-N 1 1 334.420 1.356 20 5 EDBDMO COC(=O)c1cnc(N(C)C[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC000364500685 153252790 /nfs/dbraw/zinc/25/27/90/153252790.db2.gz JSCJVNPQPVSPQI-NSHDSACASA-N 1 1 345.359 1.672 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000364938839 153376937 /nfs/dbraw/zinc/37/69/37/153376937.db2.gz WLOMZVNBCWZSEL-NPQIQWPPSA-N 1 1 333.388 1.523 20 5 EDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000364959371 153383572 /nfs/dbraw/zinc/38/35/72/153383572.db2.gz ZGCXDCJGKDONTO-WQVCFCJDSA-N 1 1 333.388 1.950 20 5 EDBDMO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000367823316 154285700 /nfs/dbraw/zinc/28/57/00/154285700.db2.gz ODLPEPHKKDTSDG-GFCCVEGCSA-N 1 1 330.410 1.081 20 5 EDBDMO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000367823316 154285704 /nfs/dbraw/zinc/28/57/04/154285704.db2.gz ODLPEPHKKDTSDG-GFCCVEGCSA-N 1 1 330.410 1.081 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000368070715 154396449 /nfs/dbraw/zinc/39/64/49/154396449.db2.gz RCSPWRCYPPYGQR-GFCCVEGCSA-N 1 1 337.767 1.553 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000368070715 154396451 /nfs/dbraw/zinc/39/64/51/154396451.db2.gz RCSPWRCYPPYGQR-GFCCVEGCSA-N 1 1 337.767 1.553 20 5 EDBDMO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000369450691 155040767 /nfs/dbraw/zinc/04/07/67/155040767.db2.gz FSEZGALULFRQED-FZMZJTMJSA-N 1 1 332.360 1.624 20 5 EDBDMO CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000369450691 155040769 /nfs/dbraw/zinc/04/07/69/155040769.db2.gz FSEZGALULFRQED-FZMZJTMJSA-N 1 1 332.360 1.624 20 5 EDBDMO CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000369608203 155108532 /nfs/dbraw/zinc/10/85/32/155108532.db2.gz DRFGMOJVTWKCOU-NSHDSACASA-N 1 1 329.360 1.708 20 5 EDBDMO C[N@H+]1CCCC12CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000378432898 158171599 /nfs/dbraw/zinc/17/15/99/158171599.db2.gz RLIXZXJGGXOHHB-UHFFFAOYSA-N 1 1 332.404 1.754 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000373090900 292583547 /nfs/dbraw/zinc/58/35/47/292583547.db2.gz BNQAQVZKRSHKJW-HIFRSBDPSA-N 1 1 333.388 1.574 20 5 EDBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122241658 222044612 /nfs/dbraw/zinc/04/46/12/222044612.db2.gz OIDXRXDOSBJZJS-CQSZACIVSA-N 1 1 334.420 1.598 20 5 EDBDMO C[C@@H]1C[C@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000123085128 222212637 /nfs/dbraw/zinc/21/26/37/222212637.db2.gz MZWYQDGKYBKCQD-UKRRQHHQSA-N 1 1 346.431 1.898 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000274057485 268103524 /nfs/dbraw/zinc/10/35/24/268103524.db2.gz ZOUAFOJSSWJHBK-SWLSCSKDSA-N 1 1 341.433 1.946 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273106049 273028722 /nfs/dbraw/zinc/02/87/22/273028722.db2.gz FSCMWLIOSWKPSG-QWHCGFSZSA-N 1 1 338.360 1.362 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCO)C3CCOCC3)n2)c1 ZINC000275485802 268350096 /nfs/dbraw/zinc/35/00/96/268350096.db2.gz FIYNGKJYFANRDW-UHFFFAOYSA-N 1 1 348.359 1.618 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1CCCOCC1 ZINC000275494976 268351244 /nfs/dbraw/zinc/35/12/44/268351244.db2.gz BWFOJCGRPZXEMB-UHFFFAOYSA-N 1 1 338.364 1.447 20 5 EDBDMO C[C@@]1(CCCO)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273163215 273030777 /nfs/dbraw/zinc/03/07/77/273030777.db2.gz NWYPJBBDMZVBHL-YOEHRIQHSA-N 1 1 338.404 1.962 20 5 EDBDMO Cc1nnc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000273542370 273042898 /nfs/dbraw/zinc/04/28/98/273042898.db2.gz ARLOAVGAAVYPSV-CABZTGNLSA-N 1 1 338.389 1.845 20 5 EDBDMO COc1ccc(CNC(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000279795695 273327922 /nfs/dbraw/zinc/32/79/22/273327922.db2.gz DFSYURXOLPTYGA-UHFFFAOYSA-N 1 1 334.376 1.665 20 5 EDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280509019 273364873 /nfs/dbraw/zinc/36/48/73/273364873.db2.gz CVNHJQQOWLZTOY-OAHLLOKOSA-N 1 1 331.332 1.342 20 5 EDBDMO CN1CCO[C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21 ZINC000284380014 274181834 /nfs/dbraw/zinc/18/18/34/274181834.db2.gz FKQVBQGXFRYDNP-HOTGVXAUSA-N 1 1 349.387 1.366 20 5 EDBDMO CN1CCO[C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21 ZINC000284380014 274181835 /nfs/dbraw/zinc/18/18/35/274181835.db2.gz FKQVBQGXFRYDNP-HOTGVXAUSA-N 1 1 349.387 1.366 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)c2nc3sccn3c2[N+](=O)[O-])[N@@H+](C)C1 ZINC000284625080 274269058 /nfs/dbraw/zinc/26/90/58/274269058.db2.gz UCILJGCGTBGSJX-UWVGGRQHSA-N 1 1 325.394 1.459 20 5 EDBDMO C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1Cc1ccccc1 ZINC000284643275 274276591 /nfs/dbraw/zinc/27/65/91/274276591.db2.gz KKZVIKVFRHQFJA-HNNXBMFYSA-N 1 1 343.387 1.177 20 5 EDBDMO C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1Cc1ccccc1 ZINC000284643275 274276593 /nfs/dbraw/zinc/27/65/93/274276593.db2.gz KKZVIKVFRHQFJA-HNNXBMFYSA-N 1 1 343.387 1.177 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352512061 276011986 /nfs/dbraw/zinc/01/19/86/276011986.db2.gz NFKSRQGRZMDGNR-LBPRGKRZSA-N 1 1 327.406 1.748 20 5 EDBDMO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000360452899 276217205 /nfs/dbraw/zinc/21/72/05/276217205.db2.gz ZEDOHQAIZVXZIE-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO CC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000360452899 276217206 /nfs/dbraw/zinc/21/72/06/276217206.db2.gz ZEDOHQAIZVXZIE-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355369044 276218983 /nfs/dbraw/zinc/21/89/83/276218983.db2.gz BKYHDFBARGFUNI-CVEARBPZSA-N 1 1 333.388 1.838 20 5 EDBDMO CCOCC[N@@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000342221835 276324020 /nfs/dbraw/zinc/32/40/20/276324020.db2.gz KHAKPLFDLFPXKW-GFCCVEGCSA-N 1 1 336.392 1.241 20 5 EDBDMO CCOCC[N@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000342221835 276324021 /nfs/dbraw/zinc/32/40/21/276324021.db2.gz KHAKPLFDLFPXKW-GFCCVEGCSA-N 1 1 336.392 1.241 20 5 EDBDMO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])c1ccccc1O2 ZINC000360130009 277035790 /nfs/dbraw/zinc/03/57/90/277035790.db2.gz NPXVOHXYBMTYPU-KKUMJFAQSA-N 1 1 345.399 1.756 20 5 EDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000151629643 277075837 /nfs/dbraw/zinc/07/58/37/277075837.db2.gz QIPWVHKLVOBATG-AWEZNQCLSA-N 1 1 336.367 1.477 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]21 ZINC000375042848 277146618 /nfs/dbraw/zinc/14/66/18/277146618.db2.gz SUSHAKGHMCVKHL-KBRIMQKVSA-N 1 1 344.415 1.726 20 5 EDBDMO C[NH+](C)C1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000286418125 288001175 /nfs/dbraw/zinc/00/11/75/288001175.db2.gz MEOHDSRIRNXKFM-UHFFFAOYSA-N 1 1 337.760 1.322 20 5 EDBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCC[C@H]1O ZINC000286449641 288008563 /nfs/dbraw/zinc/00/85/63/288008563.db2.gz JUUSPOBQUSIYES-ZYHUDNBSSA-N 1 1 337.332 1.107 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000286548147 288032005 /nfs/dbraw/zinc/03/20/05/288032005.db2.gz USPFIVTZOIYAEI-WDEREUQCSA-N 1 1 329.347 1.760 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000287598167 288274027 /nfs/dbraw/zinc/27/40/27/288274027.db2.gz YFQLHCOWMCXIRR-CYBMUJFWSA-N 1 1 326.784 2.000 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000174348654 533691682 /nfs/dbraw/zinc/69/16/82/533691682.db2.gz SUGHCCJKNYXZCI-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000174348654 533691693 /nfs/dbraw/zinc/69/16/93/533691693.db2.gz SUGHCCJKNYXZCI-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO CO[C@H]1COC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000290131118 288845258 /nfs/dbraw/zinc/84/52/58/288845258.db2.gz LVWRDVKMBNPHMI-JQWIXIFHSA-N 1 1 329.740 1.190 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000456204772 447323425 /nfs/dbraw/zinc/32/34/25/447323425.db2.gz APBVITIGFRKHRT-PHIMTYICSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000456204772 447323428 /nfs/dbraw/zinc/32/34/28/447323428.db2.gz APBVITIGFRKHRT-PHIMTYICSA-N 1 1 325.340 1.261 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293952849 303043501 /nfs/dbraw/zinc/04/35/01/303043501.db2.gz SDGCCZIOJNGZHI-JKSUJKDBSA-N 1 1 348.403 1.328 20 5 EDBDMO CN(C)c1cc(F)c(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000295307926 303202648 /nfs/dbraw/zinc/20/26/48/303202648.db2.gz RPOKJRFRPFCNQK-NSHDSACASA-N 1 1 336.367 1.720 20 5 EDBDMO Cc1sc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000295530647 303230767 /nfs/dbraw/zinc/23/07/67/303230767.db2.gz RFUGQJIPTSLKMC-LLVKDONJSA-N 1 1 327.406 1.541 20 5 EDBDMO Cc1sc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000295530647 303230768 /nfs/dbraw/zinc/23/07/68/303230768.db2.gz RFUGQJIPTSLKMC-LLVKDONJSA-N 1 1 327.406 1.541 20 5 EDBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000423615243 304901660 /nfs/dbraw/zinc/90/16/60/304901660.db2.gz QSBABILGDVCFRO-LBPRGKRZSA-N 1 1 345.359 1.124 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430939018 305069392 /nfs/dbraw/zinc/06/93/92/305069392.db2.gz JYDUVCIVPLWQNL-YPMHNXCESA-N 1 1 336.392 1.601 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000441238018 305219425 /nfs/dbraw/zinc/21/94/25/305219425.db2.gz XRLPWHVHCQRLOX-TZMCWYRMSA-N 1 1 347.419 1.931 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000446329087 305263193 /nfs/dbraw/zinc/26/31/93/305263193.db2.gz CVMQQMUEIOVJFT-ZDUSSCGKSA-N 1 1 335.404 1.820 20 5 EDBDMO COc1cc(OCC(=O)N2CC[NH2+]C[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000449576958 305314548 /nfs/dbraw/zinc/31/45/48/305314548.db2.gz VCGRYORJLNVFGE-HNNXBMFYSA-N 1 1 341.339 1.142 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451293735 305336839 /nfs/dbraw/zinc/33/68/39/305336839.db2.gz BLFQURLQBUCQFI-APHBMKBZSA-N 1 1 336.388 1.965 20 5 EDBDMO Cc1c(NC(=O)CCN2C[C@H]3CC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000451632349 305357617 /nfs/dbraw/zinc/35/76/17/305357617.db2.gz OOVRMJOPCHYCBD-CJNGLKHVSA-N 1 1 332.404 1.868 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H]3CCN(C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000451632349 305357618 /nfs/dbraw/zinc/35/76/18/305357618.db2.gz OOVRMJOPCHYCBD-CJNGLKHVSA-N 1 1 332.404 1.868 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H]3CCN(C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000451632349 305357619 /nfs/dbraw/zinc/35/76/19/305357619.db2.gz OOVRMJOPCHYCBD-CJNGLKHVSA-N 1 1 332.404 1.868 20 5 EDBDMO COc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)ccc1[N+](=O)[O-] ZINC000452391823 305397231 /nfs/dbraw/zinc/39/72/31/305397231.db2.gz QLZZLLHDERGVDX-ZDUSSCGKSA-N 1 1 337.376 1.180 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492724614 305598859 /nfs/dbraw/zinc/59/88/59/305598859.db2.gz ZLZSOPNAZNKECO-PYEVWLCESA-N 1 1 337.351 1.272 20 5 EDBDMO CCn1cc(C[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000544143977 306073042 /nfs/dbraw/zinc/07/30/42/306073042.db2.gz LQYUEMPLERRNOF-CQSZACIVSA-N 1 1 334.376 1.683 20 5 EDBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000449937440 447415422 /nfs/dbraw/zinc/41/54/22/447415422.db2.gz BZNZLPFAOMXFSK-VHSXEESVSA-N 1 1 325.340 1.955 20 5 EDBDMO CC[NH+]1CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000007365325 441048891 /nfs/dbraw/zinc/04/88/91/441048891.db2.gz CDZOLRPHJFGZRR-UHFFFAOYSA-N 1 1 327.406 1.895 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000104747837 441203788 /nfs/dbraw/zinc/20/37/88/441203788.db2.gz RTAANHNUJAEVLQ-LBPRGKRZSA-N 1 1 341.433 1.729 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000104747458 441203844 /nfs/dbraw/zinc/20/38/44/441203844.db2.gz CULUBHCEHBIFNU-LBPRGKRZSA-N 1 1 327.406 1.475 20 5 EDBDMO CC[N@@H+](CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000073076143 441290674 /nfs/dbraw/zinc/29/06/74/441290674.db2.gz RWXLIOWSDFVWMS-UHFFFAOYSA-N 1 1 349.387 1.509 20 5 EDBDMO CCCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(N)=O ZINC000063500230 441334205 /nfs/dbraw/zinc/33/42/05/441334205.db2.gz XRYZABUWHZCXOW-UHFFFAOYSA-N 1 1 336.392 1.819 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000084137689 441384421 /nfs/dbraw/zinc/38/44/21/441384421.db2.gz LRKLGFLMNATHMR-GFCCVEGCSA-N 1 1 336.314 1.817 20 5 EDBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000106542544 441353492 /nfs/dbraw/zinc/35/34/92/441353492.db2.gz NIXJKPOUVXNOAP-AWEZNQCLSA-N 1 1 349.435 1.072 20 5 EDBDMO C[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000065773318 441483231 /nfs/dbraw/zinc/48/32/31/441483231.db2.gz JQTAJDNMZQHDSF-INIZCTEOSA-N 1 1 343.387 1.697 20 5 EDBDMO C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000065773318 441483233 /nfs/dbraw/zinc/48/32/33/441483233.db2.gz JQTAJDNMZQHDSF-INIZCTEOSA-N 1 1 343.387 1.697 20 5 EDBDMO C[N@@H+](CCCNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000065775800 441483913 /nfs/dbraw/zinc/48/39/13/441483913.db2.gz BOHNCHKSTVDRGU-UHFFFAOYSA-N 1 1 337.424 1.952 20 5 EDBDMO CC(C)OCC[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000074773337 441465446 /nfs/dbraw/zinc/46/54/46/441465446.db2.gz VIQIYFYKQAZQDZ-UHFFFAOYSA-N 1 1 336.392 1.241 20 5 EDBDMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000053638913 441534286 /nfs/dbraw/zinc/53/42/86/441534286.db2.gz UZQZBZMEKYBLEU-UHFFFAOYSA-N 1 1 344.371 1.685 20 5 EDBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000112922515 441569514 /nfs/dbraw/zinc/56/95/14/441569514.db2.gz FJYBCDYRHVGSTC-AWEZNQCLSA-N 1 1 348.447 1.907 20 5 EDBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090520704 441632839 /nfs/dbraw/zinc/63/28/39/441632839.db2.gz UCZZOOVEVUHOAA-CABCVRRESA-N 1 1 348.403 1.647 20 5 EDBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090520704 441632841 /nfs/dbraw/zinc/63/28/41/441632841.db2.gz UCZZOOVEVUHOAA-CABCVRRESA-N 1 1 348.403 1.647 20 5 EDBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000055266164 441636219 /nfs/dbraw/zinc/63/62/19/441636219.db2.gz CCXPGKHGLMKFCN-UHFFFAOYSA-N 1 1 338.389 1.777 20 5 EDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCOCC1 ZINC000055531349 441653806 /nfs/dbraw/zinc/65/38/06/441653806.db2.gz XUGNFLLCHUZOOV-UHFFFAOYSA-N 1 1 336.392 1.235 20 5 EDBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000076924538 441694083 /nfs/dbraw/zinc/69/40/83/441694083.db2.gz BHBHRYLFEFKCBD-AWEZNQCLSA-N 1 1 332.404 1.585 20 5 EDBDMO CCc1nn(C)c(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000091453777 441701712 /nfs/dbraw/zinc/70/17/12/441701712.db2.gz SZUILUGEYOLWMB-GFCCVEGCSA-N 1 1 337.424 1.580 20 5 EDBDMO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000173291962 441704839 /nfs/dbraw/zinc/70/48/39/441704839.db2.gz OXRRUBRHIDSIBL-KRWDZBQOSA-N 1 1 346.431 1.837 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000137430879 441768914 /nfs/dbraw/zinc/76/89/14/441768914.db2.gz VGCRVTVKMHQDKB-DZGCQCFKSA-N 1 1 343.387 1.571 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC[C@@H](C)O ZINC000173571040 441795137 /nfs/dbraw/zinc/79/51/37/441795137.db2.gz SHLSFCPYDBEBJU-LLVKDONJSA-N 1 1 325.365 1.635 20 5 EDBDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000139336814 441811496 /nfs/dbraw/zinc/81/14/96/441811496.db2.gz PYAIREDAPQPVTO-AWEZNQCLSA-N 1 1 347.419 1.521 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1nnc[nH]1 ZINC000174817307 441972167 /nfs/dbraw/zinc/97/21/67/441972167.db2.gz NTEFZPWIFODGJU-UHFFFAOYSA-N 1 1 334.336 1.182 20 5 EDBDMO CCOc1cccc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000174852683 441975954 /nfs/dbraw/zinc/97/59/54/441975954.db2.gz XBDXRKZHYKVXGL-UHFFFAOYSA-N 1 1 346.391 1.407 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000078405044 441929088 /nfs/dbraw/zinc/92/90/88/441929088.db2.gz BWSSCOQPXMOMLI-LBPRGKRZSA-N 1 1 336.348 1.662 20 5 EDBDMO CCC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000152597118 442229216 /nfs/dbraw/zinc/22/92/16/442229216.db2.gz IUUBYAGOIVVJGT-OAHLLOKOSA-N 1 1 348.403 1.832 20 5 EDBDMO CCC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000152597118 442229217 /nfs/dbraw/zinc/22/92/17/442229217.db2.gz IUUBYAGOIVVJGT-OAHLLOKOSA-N 1 1 348.403 1.832 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000177425378 442339988 /nfs/dbraw/zinc/33/99/88/442339988.db2.gz PQAKYYCGUVOMEP-MEDUHNTESA-N 1 1 335.360 1.807 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000177425378 442339990 /nfs/dbraw/zinc/33/99/90/442339990.db2.gz PQAKYYCGUVOMEP-MEDUHNTESA-N 1 1 335.360 1.807 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000155396942 442394612 /nfs/dbraw/zinc/39/46/12/442394612.db2.gz XEXIZMDLJAJVFM-BBRMVZONSA-N 1 1 333.388 1.916 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000172017535 442399656 /nfs/dbraw/zinc/39/96/56/442399656.db2.gz VYDQDUSIWXWGNJ-UHFFFAOYSA-N 1 1 327.406 1.667 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000172017554 442400043 /nfs/dbraw/zinc/40/00/43/442400043.db2.gz IHKJABHGTRCSSI-GFCCVEGCSA-N 1 1 341.433 1.913 20 5 EDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134166151 442454213 /nfs/dbraw/zinc/45/42/13/442454213.db2.gz ZQOVJALUSZHCDT-LBPRGKRZSA-N 1 1 325.340 1.263 20 5 EDBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172556140 442488710 /nfs/dbraw/zinc/48/87/10/442488710.db2.gz HUQOQUVSNDBVSP-AWEZNQCLSA-N 1 1 343.387 1.524 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172556140 442488716 /nfs/dbraw/zinc/48/87/16/442488716.db2.gz HUQOQUVSNDBVSP-AWEZNQCLSA-N 1 1 343.387 1.524 20 5 EDBDMO CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000156352645 442471294 /nfs/dbraw/zinc/47/12/94/442471294.db2.gz BLRUYOKMMLLZOM-OCCSQVGLSA-N 1 1 348.403 1.722 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCOC1 ZINC000178783275 442484719 /nfs/dbraw/zinc/48/47/19/442484719.db2.gz MONRGALXOMNISR-LBPRGKRZSA-N 1 1 337.376 1.900 20 5 EDBDMO C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1C[N@H+](C)CCO1 ZINC000134980501 442544310 /nfs/dbraw/zinc/54/43/10/442544310.db2.gz UCMSUKPWGPOFDW-MEBBXXQBSA-N 1 1 332.360 1.525 20 5 EDBDMO C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1C[N@@H+](C)CCO1 ZINC000134980501 442544317 /nfs/dbraw/zinc/54/43/17/442544317.db2.gz UCMSUKPWGPOFDW-MEBBXXQBSA-N 1 1 332.360 1.525 20 5 EDBDMO COc1cc(C[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179912589 442519131 /nfs/dbraw/zinc/51/91/31/442519131.db2.gz QBWQMOKFHUQLQF-SNVBAGLBSA-N 1 1 332.303 1.814 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179912589 442519133 /nfs/dbraw/zinc/51/91/33/442519133.db2.gz QBWQMOKFHUQLQF-SNVBAGLBSA-N 1 1 332.303 1.814 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000157348592 442573845 /nfs/dbraw/zinc/57/38/45/442573845.db2.gz YKQNERPEESOYJF-UHFFFAOYSA-N 1 1 346.347 1.522 20 5 EDBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000173279742 442640969 /nfs/dbraw/zinc/64/09/69/442640969.db2.gz HSDMHWUCBGJVBZ-QWRGUYRKSA-N 1 1 345.396 1.837 20 5 EDBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1C ZINC000182146389 442739861 /nfs/dbraw/zinc/73/98/61/442739861.db2.gz YKEDJJDJWDVHJL-ZYHUDNBSSA-N 1 1 335.360 1.878 20 5 EDBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)(C)C ZINC000182222286 442747611 /nfs/dbraw/zinc/74/76/11/442747611.db2.gz ZRBNLUHCTUPAKD-AWEZNQCLSA-N 1 1 344.433 1.707 20 5 EDBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)(C)C ZINC000182222286 442747614 /nfs/dbraw/zinc/74/76/14/442747614.db2.gz ZRBNLUHCTUPAKD-AWEZNQCLSA-N 1 1 344.433 1.707 20 5 EDBDMO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182242995 442749016 /nfs/dbraw/zinc/74/90/16/442749016.db2.gz VUAWCCMRQPJJMG-JSGCOSHPSA-N 1 1 342.417 1.604 20 5 EDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182242995 442749018 /nfs/dbraw/zinc/74/90/18/442749018.db2.gz VUAWCCMRQPJJMG-JSGCOSHPSA-N 1 1 342.417 1.604 20 5 EDBDMO CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000182625500 442797401 /nfs/dbraw/zinc/79/74/01/442797401.db2.gz FDDUDPZZHLZKNS-GFCCVEGCSA-N 1 1 349.387 1.757 20 5 EDBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000182625500 442797403 /nfs/dbraw/zinc/79/74/03/442797403.db2.gz FDDUDPZZHLZKNS-GFCCVEGCSA-N 1 1 349.387 1.757 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000246685259 442802033 /nfs/dbraw/zinc/80/20/33/442802033.db2.gz MQNNZJDAOGJNFD-UNEWFSDZSA-N 1 1 336.388 1.835 20 5 EDBDMO Cc1c(NC(=O)CCN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000193642318 442763075 /nfs/dbraw/zinc/76/30/75/442763075.db2.gz LRVMIMBYBZHVIT-OKILXGFUSA-N 1 1 332.404 1.725 20 5 EDBDMO Cc1c(NC(=O)CCN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000193642318 442763077 /nfs/dbraw/zinc/76/30/77/442763077.db2.gz LRVMIMBYBZHVIT-OKILXGFUSA-N 1 1 332.404 1.725 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000193642318 442763078 /nfs/dbraw/zinc/76/30/78/442763078.db2.gz LRVMIMBYBZHVIT-OKILXGFUSA-N 1 1 332.404 1.725 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000193642318 442763080 /nfs/dbraw/zinc/76/30/80/442763080.db2.gz LRVMIMBYBZHVIT-OKILXGFUSA-N 1 1 332.404 1.725 20 5 EDBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193740333 442777194 /nfs/dbraw/zinc/77/71/94/442777194.db2.gz JHVVHTVZWNZHOC-LBPRGKRZSA-N 1 1 336.392 1.793 20 5 EDBDMO CN(CCC[NH+]1CCN(C)CC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000265586552 442834459 /nfs/dbraw/zinc/83/44/59/442834459.db2.gz XKUVUDYYWXZRLW-UHFFFAOYSA-N 1 1 327.816 1.717 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000268160601 442877200 /nfs/dbraw/zinc/87/72/00/442877200.db2.gz JFWPQKAHTDRNQX-QMTHXVAHSA-N 1 1 332.360 1.132 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183157046 442891343 /nfs/dbraw/zinc/89/13/43/442891343.db2.gz WXPHFLJXBGJJGT-VXGBXAGGSA-N 1 1 337.376 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183157046 442891345 /nfs/dbraw/zinc/89/13/45/442891345.db2.gz WXPHFLJXBGJJGT-VXGBXAGGSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000194725632 442943522 /nfs/dbraw/zinc/94/35/22/442943522.db2.gz LUBXOMMLVFKCBZ-OKILXGFUSA-N 1 1 335.404 1.705 20 5 EDBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000194725632 442943524 /nfs/dbraw/zinc/94/35/24/442943524.db2.gz LUBXOMMLVFKCBZ-OKILXGFUSA-N 1 1 335.404 1.705 20 5 EDBDMO CCC[C@@]1(COC)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000194928834 442969381 /nfs/dbraw/zinc/96/93/81/442969381.db2.gz XCLKCRSSVDUFTP-GJZGRUSLSA-N 1 1 326.397 1.433 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183872326 442972461 /nfs/dbraw/zinc/97/24/61/442972461.db2.gz QTOVTZJUCFXALQ-UHFFFAOYSA-N 1 1 343.387 1.364 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1(O)CCOCC1 ZINC000189784311 443009713 /nfs/dbraw/zinc/00/97/13/443009713.db2.gz DKPLUJJDPMPOLI-GFCCVEGCSA-N 1 1 337.376 1.395 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184467721 443024236 /nfs/dbraw/zinc/02/42/36/443024236.db2.gz ZISAZGMRURKIFE-CQSZACIVSA-N 1 1 341.433 1.889 20 5 EDBDMO Cc1nc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000268476412 443003390 /nfs/dbraw/zinc/00/33/90/443003390.db2.gz KKEZIHDQJHERFN-HNNXBMFYSA-N 1 1 333.436 1.905 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000185194679 443158177 /nfs/dbraw/zinc/15/81/77/443158177.db2.gz FYKIZABRRVXAJA-KRWDZBQOSA-N 1 1 349.387 1.723 20 5 EDBDMO CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245455327 443228885 /nfs/dbraw/zinc/22/88/85/443228885.db2.gz SKZVJFFIKLYYRX-QWHCGFSZSA-N 1 1 335.408 1.733 20 5 EDBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000191081746 443237341 /nfs/dbraw/zinc/23/73/41/443237341.db2.gz AAAJDRRGQOXCBZ-UHFFFAOYSA-N 1 1 343.380 1.511 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000191099986 443241102 /nfs/dbraw/zinc/24/11/02/443241102.db2.gz JPXJLLQQDYSKBK-UHFFFAOYSA-N 1 1 329.353 1.203 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000190870110 443200790 /nfs/dbraw/zinc/20/07/90/443200790.db2.gz ZFGIDCQOJUHPHZ-QWHCGFSZSA-N 1 1 339.392 1.295 20 5 EDBDMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000191165898 443251492 /nfs/dbraw/zinc/25/14/92/443251492.db2.gz DIBBVKXDXQTAPN-VXGBXAGGSA-N 1 1 333.388 1.718 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411899007 319211660 /nfs/dbraw/zinc/21/16/60/319211660.db2.gz ASZYGBSFNZHBTM-UHFFFAOYSA-N 1 1 339.392 1.690 20 5 EDBDMO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000412074749 319223020 /nfs/dbraw/zinc/22/30/20/319223020.db2.gz ITIGHROVFHNKDX-TZMCWYRMSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000412074749 319223022 /nfs/dbraw/zinc/22/30/22/319223022.db2.gz ITIGHROVFHNKDX-TZMCWYRMSA-N 1 1 333.388 1.577 20 5 EDBDMO CC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000412879513 319247539 /nfs/dbraw/zinc/24/75/39/319247539.db2.gz PHYVQANVIQWEGI-ZDUSSCGKSA-N 1 1 329.360 1.605 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000269284563 443267079 /nfs/dbraw/zinc/26/70/79/443267079.db2.gz HSXAGJJWBWGUMR-UHFFFAOYSA-N 1 1 341.433 1.495 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272455933 443324794 /nfs/dbraw/zinc/32/47/94/443324794.db2.gz RBQMTZGBLYZELK-RISCZKNCSA-N 1 1 325.390 1.310 20 5 EDBDMO CCS(=O)(=O)NCCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282440022 443339056 /nfs/dbraw/zinc/33/90/56/443339056.db2.gz KXQCLQCLOGHVMH-UHFFFAOYSA-N 1 1 329.422 1.399 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000278618801 443380228 /nfs/dbraw/zinc/38/02/28/443380228.db2.gz NDYYUDQLQJRBDP-CZUORRHYSA-N 1 1 332.360 1.895 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000278618801 443380229 /nfs/dbraw/zinc/38/02/29/443380229.db2.gz NDYYUDQLQJRBDP-CZUORRHYSA-N 1 1 332.360 1.895 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000278618786 443380349 /nfs/dbraw/zinc/38/03/49/443380349.db2.gz NDYYUDQLQJRBDP-BBRMVZONSA-N 1 1 332.360 1.895 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000278618786 443380353 /nfs/dbraw/zinc/38/03/53/443380353.db2.gz NDYYUDQLQJRBDP-BBRMVZONSA-N 1 1 332.360 1.895 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269658312 443383431 /nfs/dbraw/zinc/38/34/31/443383431.db2.gz NTXLOETZXRYXOG-LBPRGKRZSA-N 1 1 335.360 1.951 20 5 EDBDMO Cc1c(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000278518337 443350943 /nfs/dbraw/zinc/35/09/43/443350943.db2.gz CFYDKLJEHMXBGY-VXGBXAGGSA-N 1 1 336.392 1.822 20 5 EDBDMO CNC(=O)C(C)(C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272548684 443359130 /nfs/dbraw/zinc/35/91/30/443359130.db2.gz QWLIEJPGDNJHQV-CQSZACIVSA-N 1 1 345.403 1.780 20 5 EDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000269615665 443365328 /nfs/dbraw/zinc/36/53/28/443365328.db2.gz SCLIARPDXUQDQD-VXGBXAGGSA-N 1 1 335.408 1.998 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000269615665 443365333 /nfs/dbraw/zinc/36/53/33/443365333.db2.gz SCLIARPDXUQDQD-VXGBXAGGSA-N 1 1 335.408 1.998 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000269615665 443365338 /nfs/dbraw/zinc/36/53/38/443365338.db2.gz SCLIARPDXUQDQD-VXGBXAGGSA-N 1 1 335.408 1.998 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000267175506 443368451 /nfs/dbraw/zinc/36/84/51/443368451.db2.gz AUNMLFVSILOOFI-NSHDSACASA-N 1 1 342.421 1.020 20 5 EDBDMO Nc1nc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC000273078374 443532669 /nfs/dbraw/zinc/53/26/69/443532669.db2.gz GULVZNIRZRRBMX-CYBMUJFWSA-N 1 1 344.375 1.146 20 5 EDBDMO C[N@@H+]1CC=C(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272228761 443562682 /nfs/dbraw/zinc/56/26/82/443562682.db2.gz VILAYIFWQBWLHX-UHFFFAOYSA-N 1 1 333.373 1.591 20 5 EDBDMO C[C@H]1C[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000267851030 443597824 /nfs/dbraw/zinc/59/78/24/443597824.db2.gz FQCUUNLVKODIHU-VHSXEESVSA-N 1 1 340.405 1.279 20 5 EDBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1O ZINC000272367029 443604991 /nfs/dbraw/zinc/60/49/91/443604991.db2.gz UABHGASHNOZHJJ-UKRRQHHQSA-N 1 1 335.404 1.923 20 5 EDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456981445 320315850 /nfs/dbraw/zinc/31/58/50/320315850.db2.gz FOXZDORDSUFFHR-HNNXBMFYSA-N 1 1 329.360 1.355 20 5 EDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000492710869 320383397 /nfs/dbraw/zinc/38/33/97/320383397.db2.gz VFZHTXAVMOHTRA-UTCJRWHESA-N 1 1 327.344 1.680 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000492783614 320386232 /nfs/dbraw/zinc/38/62/32/320386232.db2.gz QMFNQTBZPCUTGK-KQLNYGGHSA-N 1 1 331.372 1.540 20 5 EDBDMO C[N@@H+](CCO)C1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000288149374 443786229 /nfs/dbraw/zinc/78/62/29/443786229.db2.gz ZDTBNGRUQTTXPT-UHFFFAOYSA-N 1 1 337.405 1.492 20 5 EDBDMO CCn1cnc2c(c1=O)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000280979679 443787870 /nfs/dbraw/zinc/78/78/70/443787870.db2.gz LDBNWWYYFFFJNV-UHFFFAOYSA-N 1 1 328.372 1.772 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000285082104 443848338 /nfs/dbraw/zinc/84/83/38/443848338.db2.gz DAOCEGLXXSYBDA-UONOGXRCSA-N 1 1 339.779 1.793 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288444245 443883587 /nfs/dbraw/zinc/88/35/87/443883587.db2.gz NLEIBGRGYRFQJT-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288444245 443883591 /nfs/dbraw/zinc/88/35/91/443883591.db2.gz NLEIBGRGYRFQJT-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000292985127 443895722 /nfs/dbraw/zinc/89/57/22/443895722.db2.gz BRPCZNZVXRUJOL-GFCCVEGCSA-N 1 1 337.376 1.636 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000292985127 443895728 /nfs/dbraw/zinc/89/57/28/443895728.db2.gz BRPCZNZVXRUJOL-GFCCVEGCSA-N 1 1 337.376 1.636 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000277490174 443993732 /nfs/dbraw/zinc/99/37/32/443993732.db2.gz NOUUEHOTOJCXKC-AWEZNQCLSA-N 1 1 339.417 1.890 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000277490174 443993737 /nfs/dbraw/zinc/99/37/37/443993737.db2.gz NOUUEHOTOJCXKC-AWEZNQCLSA-N 1 1 339.417 1.890 20 5 EDBDMO COCC[N@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000299304127 444012155 /nfs/dbraw/zinc/01/21/55/444012155.db2.gz OULPYHHWKMNBLX-UHFFFAOYSA-N 1 1 336.392 1.187 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000289145091 444063221 /nfs/dbraw/zinc/06/32/21/444063221.db2.gz SMPKVYQHIAICNX-UHFFFAOYSA-N 1 1 349.435 1.775 20 5 EDBDMO CN(CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)CC[NH+](C)C ZINC000289145091 444063224 /nfs/dbraw/zinc/06/32/24/444063224.db2.gz SMPKVYQHIAICNX-UHFFFAOYSA-N 1 1 349.435 1.775 20 5 EDBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C1 ZINC000285662807 444064366 /nfs/dbraw/zinc/06/43/66/444064366.db2.gz ZDYOTOWLRZLKLJ-RYUDHWBXSA-N 1 1 339.396 1.185 20 5 EDBDMO Cn1ccnc1[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587363 321393352 /nfs/dbraw/zinc/39/33/52/321393352.db2.gz PUFZIOCEXKEDDB-KBPBESRZSA-N 1 1 346.387 1.558 20 5 EDBDMO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000571671060 321396222 /nfs/dbraw/zinc/39/62/22/321396222.db2.gz PRGUREBKXFXPSS-LZWOXQAQSA-N 1 1 337.420 1.797 20 5 EDBDMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000278317367 444139131 /nfs/dbraw/zinc/13/91/31/444139131.db2.gz DROQEEKNZGGHQQ-LLVKDONJSA-N 1 1 339.417 1.982 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000278317367 444139133 /nfs/dbraw/zinc/13/91/33/444139133.db2.gz DROQEEKNZGGHQQ-LLVKDONJSA-N 1 1 339.417 1.982 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302257932 444210637 /nfs/dbraw/zinc/21/06/37/444210637.db2.gz ORBUSQVCDHKWNR-GFCCVEGCSA-N 1 1 333.396 1.075 20 5 EDBDMO COc1cc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c([N+](=O)[O-])cc1OC ZINC000301868227 444194500 /nfs/dbraw/zinc/19/45/00/444194500.db2.gz CDRSCQHWDPUDFL-GFCCVEGCSA-N 1 1 337.376 1.887 20 5 EDBDMO COc1cc(NC[C@@H]2C[N@H+](C3CC3)CCO2)c([N+](=O)[O-])cc1OC ZINC000301868227 444194501 /nfs/dbraw/zinc/19/45/01/444194501.db2.gz CDRSCQHWDPUDFL-GFCCVEGCSA-N 1 1 337.376 1.887 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000305197256 444264542 /nfs/dbraw/zinc/26/45/42/444264542.db2.gz UMAYKWWVIDJZDW-QZTJIDSGSA-N 1 1 349.431 1.815 20 5 EDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1C[N@@H+](C)CCN1C ZINC000296963132 444265778 /nfs/dbraw/zinc/26/57/78/444265778.db2.gz CREHZAHXDMFYOJ-LBPRGKRZSA-N 1 1 345.403 1.809 20 5 EDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1CN(C)CCN1C ZINC000296963132 444265779 /nfs/dbraw/zinc/26/57/79/444265779.db2.gz CREHZAHXDMFYOJ-LBPRGKRZSA-N 1 1 345.403 1.809 20 5 EDBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000305232554 444266876 /nfs/dbraw/zinc/26/68/76/444266876.db2.gz MLYRBKYGGROGGK-MRXNPFEDSA-N 1 1 335.404 1.252 20 5 EDBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000305232554 444266878 /nfs/dbraw/zinc/26/68/78/444266878.db2.gz MLYRBKYGGROGGK-MRXNPFEDSA-N 1 1 335.404 1.252 20 5 EDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H](O)C1CC1 ZINC000305238147 444267127 /nfs/dbraw/zinc/26/71/27/444267127.db2.gz OSTSQYQHPDQFCC-CQSZACIVSA-N 1 1 335.360 1.596 20 5 EDBDMO C[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CO ZINC000305704551 444274034 /nfs/dbraw/zinc/27/40/34/444274034.db2.gz COPOGBFKEFCHHN-MLGOLLRUSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CO ZINC000305704551 444274036 /nfs/dbraw/zinc/27/40/36/444274036.db2.gz COPOGBFKEFCHHN-MLGOLLRUSA-N 1 1 333.388 1.577 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000332348355 444511656 /nfs/dbraw/zinc/51/16/56/444511656.db2.gz YWABBUVAGRXVTE-OLZOCXBDSA-N 1 1 339.779 1.793 20 5 EDBDMO Cc1c(C(=O)NCC[N@H+](C)C(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000338418461 444682984 /nfs/dbraw/zinc/68/29/84/444682984.db2.gz BRTKWTWIHXJEHA-UHFFFAOYSA-N 1 1 346.391 1.554 20 5 EDBDMO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cc[nH]n1 ZINC000343881284 444643516 /nfs/dbraw/zinc/64/35/16/444643516.db2.gz HGMKFUXJBNUYHC-UHFFFAOYSA-N 1 1 331.332 1.748 20 5 EDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cc[nH]n1 ZINC000343881284 444643520 /nfs/dbraw/zinc/64/35/20/444643520.db2.gz HGMKFUXJBNUYHC-UHFFFAOYSA-N 1 1 331.332 1.748 20 5 EDBDMO C[C@H]1[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343976848 444704885 /nfs/dbraw/zinc/70/48/85/444704885.db2.gz JYCDIMMUTQZOPJ-GXTWGEPZSA-N 1 1 341.433 1.539 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000338735478 444828685 /nfs/dbraw/zinc/82/86/85/444828685.db2.gz YOWJJMXCTNGQNO-VXGBXAGGSA-N 1 1 349.416 1.899 20 5 EDBDMO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339036795 445000421 /nfs/dbraw/zinc/00/04/21/445000421.db2.gz QLDBGNZLVYZMFF-CYBMUJFWSA-N 1 1 337.420 1.825 20 5 EDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H]1CCC[C@H]1O ZINC000339133705 445050102 /nfs/dbraw/zinc/05/01/02/445050102.db2.gz OEALTXWCTRCLAU-IUODEOHRSA-N 1 1 349.387 1.986 20 5 EDBDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000337426908 445075520 /nfs/dbraw/zinc/07/55/20/445075520.db2.gz DNKSBDLLARUEAM-CQSZACIVSA-N 1 1 345.403 1.943 20 5 EDBDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000337426908 445075527 /nfs/dbraw/zinc/07/55/27/445075527.db2.gz DNKSBDLLARUEAM-CQSZACIVSA-N 1 1 345.403 1.943 20 5 EDBDMO CS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000337427602 445076365 /nfs/dbraw/zinc/07/63/65/445076365.db2.gz XOHGSZJDHFNJLV-CYBMUJFWSA-N 1 1 341.389 1.042 20 5 EDBDMO CS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000337427602 445076366 /nfs/dbraw/zinc/07/63/66/445076366.db2.gz XOHGSZJDHFNJLV-CYBMUJFWSA-N 1 1 341.389 1.042 20 5 EDBDMO CC(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000343507994 445235645 /nfs/dbraw/zinc/23/56/45/445235645.db2.gz IBUQUXDCADWCDB-LBPRGKRZSA-N 1 1 330.406 1.460 20 5 EDBDMO CC(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000343507994 445235646 /nfs/dbraw/zinc/23/56/46/445235646.db2.gz IBUQUXDCADWCDB-LBPRGKRZSA-N 1 1 330.406 1.460 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2CCCO)cc1 ZINC000343527602 445238931 /nfs/dbraw/zinc/23/89/31/445238931.db2.gz KRKBECXIRWDLGR-CYBMUJFWSA-N 1 1 342.417 1.605 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000343527602 445238932 /nfs/dbraw/zinc/23/89/32/445238932.db2.gz KRKBECXIRWDLGR-CYBMUJFWSA-N 1 1 342.417 1.605 20 5 EDBDMO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347884780 445253903 /nfs/dbraw/zinc/25/39/03/445253903.db2.gz DHTCIRPXEDJKFT-GFCCVEGCSA-N 1 1 347.371 1.675 20 5 EDBDMO CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000343644484 445279435 /nfs/dbraw/zinc/27/94/35/445279435.db2.gz IFNVBXKANDAWHN-NSHDSACASA-N 1 1 325.365 1.899 20 5 EDBDMO CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000343644484 445279437 /nfs/dbraw/zinc/27/94/37/445279437.db2.gz IFNVBXKANDAWHN-NSHDSACASA-N 1 1 325.365 1.899 20 5 EDBDMO C[C@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356047994 445590087 /nfs/dbraw/zinc/59/00/87/445590087.db2.gz OVFODMOMJZTSPL-SMDDNHRTSA-N 1 1 346.387 1.603 20 5 EDBDMO Cc1c(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000360287906 445678224 /nfs/dbraw/zinc/67/82/24/445678224.db2.gz YQPZSRTUXKNDHD-UHFFFAOYSA-N 1 1 348.403 1.072 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000349801262 445682456 /nfs/dbraw/zinc/68/24/56/445682456.db2.gz OASGHMDSAFMVMS-GFCCVEGCSA-N 1 1 329.422 1.910 20 5 EDBDMO Cn1ccc(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000353683409 445705530 /nfs/dbraw/zinc/70/55/30/445705530.db2.gz PUTKAVRZBHRYMN-MRXNPFEDSA-N 1 1 340.387 1.984 20 5 EDBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363325931 445766917 /nfs/dbraw/zinc/76/69/17/445766917.db2.gz MTWCKUFZVKCPNS-ZIAGYGMSSA-N 1 1 349.387 1.343 20 5 EDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000356512608 445833864 /nfs/dbraw/zinc/83/38/64/445833864.db2.gz IWJMMIMYHUIVCG-LBPRGKRZSA-N 1 1 337.376 1.132 20 5 EDBDMO COc1cc(C(=O)NCCC[N@@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000356521751 445839205 /nfs/dbraw/zinc/83/92/05/445839205.db2.gz KCUIILZUVRJOLB-UHFFFAOYSA-N 1 1 338.408 1.217 20 5 EDBDMO COc1cc(C(=O)NCCCN(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000356521751 445839206 /nfs/dbraw/zinc/83/92/06/445839206.db2.gz KCUIILZUVRJOLB-UHFFFAOYSA-N 1 1 338.408 1.217 20 5 EDBDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000364828788 445959838 /nfs/dbraw/zinc/95/98/38/445959838.db2.gz KQGWFISWXPFRED-NSHDSACASA-N 1 1 331.380 1.956 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000354202974 445996107 /nfs/dbraw/zinc/99/61/07/445996107.db2.gz JPYHSWQOMNOCHC-BXUZGUMPSA-N 1 1 348.403 1.695 20 5 EDBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000373173248 446072234 /nfs/dbraw/zinc/07/22/34/446072234.db2.gz NXCHZGIVQXHKFD-SNVBAGLBSA-N 1 1 345.446 1.734 20 5 EDBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[N@H+]3CCC[C@@H]3C2)s1 ZINC000373173248 446072239 /nfs/dbraw/zinc/07/22/39/446072239.db2.gz NXCHZGIVQXHKFD-SNVBAGLBSA-N 1 1 345.446 1.734 20 5 EDBDMO C[C@H]1C[N@H+](C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000365356813 446165943 /nfs/dbraw/zinc/16/59/43/446165943.db2.gz IZUPMMUPIWBLBX-AWEZNQCLSA-N 1 1 347.415 1.849 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000365339695 446157111 /nfs/dbraw/zinc/15/71/11/446157111.db2.gz MHKIBFPVPPAQLS-INIZCTEOSA-N 1 1 332.404 1.447 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000373769346 446330146 /nfs/dbraw/zinc/33/01/46/446330146.db2.gz GXPQWVSWYSTDGJ-CQSZACIVSA-N 1 1 334.376 1.593 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000373769346 446330149 /nfs/dbraw/zinc/33/01/49/446330149.db2.gz GXPQWVSWYSTDGJ-CQSZACIVSA-N 1 1 334.376 1.593 20 5 EDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000374254906 446359303 /nfs/dbraw/zinc/35/93/03/446359303.db2.gz GLAXCKMFIDFGCW-AWEZNQCLSA-N 1 1 333.436 1.903 20 5 EDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000374254906 446359308 /nfs/dbraw/zinc/35/93/08/446359308.db2.gz GLAXCKMFIDFGCW-AWEZNQCLSA-N 1 1 333.436 1.903 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000370736580 446409492 /nfs/dbraw/zinc/40/94/92/446409492.db2.gz DTSBYJYUUMFLGB-STQMWFEESA-N 1 1 346.387 1.585 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+](C)[C@H](CN)C2CC2)c([N+](=O)[O-])c1 ZINC000420309706 446472793 /nfs/dbraw/zinc/47/27/93/446472793.db2.gz FGCRYYPXIYUJFO-OAHLLOKOSA-N 1 1 336.392 1.601 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](CN)C2CC2)c([N+](=O)[O-])c1 ZINC000420309706 446472805 /nfs/dbraw/zinc/47/28/05/446472805.db2.gz FGCRYYPXIYUJFO-OAHLLOKOSA-N 1 1 336.392 1.601 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370954996 446539038 /nfs/dbraw/zinc/53/90/38/446539038.db2.gz WUTYASXDSZXSQH-IAQYHMDHSA-N 1 1 339.417 1.812 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370954996 446539045 /nfs/dbraw/zinc/53/90/45/446539045.db2.gz WUTYASXDSZXSQH-IAQYHMDHSA-N 1 1 339.417 1.812 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000375049782 446544816 /nfs/dbraw/zinc/54/48/16/446544816.db2.gz OVDSNZLWSPBKDR-DGCLKSJQSA-N 1 1 334.376 1.697 20 5 EDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCSC1 ZINC000433207768 446546782 /nfs/dbraw/zinc/54/67/82/446546782.db2.gz SEFJYXFKMWYTAF-AWEZNQCLSA-N 1 1 341.433 1.601 20 5 EDBDMO C[C@H](CO)[N@H+]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000367451677 446548892 /nfs/dbraw/zinc/54/88/92/446548892.db2.gz SHMBZZRIPSRVAK-LLVKDONJSA-N 1 1 347.375 1.137 20 5 EDBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411511327 446578400 /nfs/dbraw/zinc/57/84/00/446578400.db2.gz IVDLXNAGRXSQMD-KPWVOAKYSA-N 1 1 327.406 1.622 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1CCO ZINC000411564183 446602174 /nfs/dbraw/zinc/60/21/74/446602174.db2.gz FCEWYIRCRVMGAC-GFCCVEGCSA-N 1 1 337.376 1.779 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412044956 446809498 /nfs/dbraw/zinc/80/94/98/446809498.db2.gz XOMYURFDEBQHTC-WCQYABFASA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000412067533 446828764 /nfs/dbraw/zinc/82/87/64/446828764.db2.gz DTXSBARSWLRTPT-CHWSQXEVSA-N 1 1 349.387 1.986 20 5 EDBDMO Cc1c(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)cccc1[N+](=O)[O-] ZINC000454193883 446803609 /nfs/dbraw/zinc/80/36/09/446803609.db2.gz FFZFFOXJNJITSB-CYBMUJFWSA-N 1 1 336.392 1.872 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1F ZINC000412234220 446908149 /nfs/dbraw/zinc/90/81/49/446908149.db2.gz YOJUZCDLOQNADX-MNOVXSKESA-N 1 1 339.367 1.836 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)n1 ZINC000412320829 446932879 /nfs/dbraw/zinc/93/28/79/446932879.db2.gz XGHRVZCXZWTSDQ-UHFFFAOYSA-N 1 1 335.408 1.759 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377492368 447162658 /nfs/dbraw/zinc/16/26/58/447162658.db2.gz JKHOUNSZPFZGNQ-LBPRGKRZSA-N 1 1 334.376 1.429 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000421775236 447248232 /nfs/dbraw/zinc/24/82/32/447248232.db2.gz 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C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457115584 447523063 /nfs/dbraw/zinc/52/30/63/447523063.db2.gz IQTTUTRGMHQNMJ-LLVKDONJSA-N 1 1 332.360 1.215 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457115584 447523067 /nfs/dbraw/zinc/52/30/67/447523067.db2.gz IQTTUTRGMHQNMJ-LLVKDONJSA-N 1 1 332.360 1.215 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000426976704 447523330 /nfs/dbraw/zinc/52/33/30/447523330.db2.gz YLDCZYXZJNUXNR-QWHCGFSZSA-N 1 1 338.412 1.306 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450790366 447578001 /nfs/dbraw/zinc/57/80/01/447578001.db2.gz KETPNGQPDHQLQM-BETUJISGSA-N 1 1 349.387 1.965 20 5 EDBDMO Cc1ccc(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416725325 447681109 /nfs/dbraw/zinc/68/11/09/447681109.db2.gz JIWUCYNPKCHXHP-STQMWFEESA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1ccc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416725325 447681115 /nfs/dbraw/zinc/68/11/15/447681115.db2.gz JIWUCYNPKCHXHP-STQMWFEESA-N 1 1 336.392 1.822 20 5 EDBDMO NC(=O)Cn1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000459578431 447712142 /nfs/dbraw/zinc/71/21/42/447712142.db2.gz NNRLANFUXQEFLG-CYBMUJFWSA-N 1 1 344.375 1.051 20 5 EDBDMO NC(=O)Cn1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000459578431 447712144 /nfs/dbraw/zinc/71/21/44/447712144.db2.gz NNRLANFUXQEFLG-CYBMUJFWSA-N 1 1 344.375 1.051 20 5 EDBDMO COC[C@]1(CO)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451926082 447785303 /nfs/dbraw/zinc/78/53/03/447785303.db2.gz HJHASKAFQSMEBL-DOTOQJQBSA-N 1 1 349.387 1.031 20 5 EDBDMO COC[C@]1(CO)CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451926082 447785307 /nfs/dbraw/zinc/78/53/07/447785307.db2.gz HJHASKAFQSMEBL-DOTOQJQBSA-N 1 1 349.387 1.031 20 5 EDBDMO CC(C)[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000489310737 447853942 /nfs/dbraw/zinc/85/39/42/447853942.db2.gz DGIYAPOLIQRAOH-CQSZACIVSA-N 1 1 331.376 1.883 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000486929478 447826500 /nfs/dbraw/zinc/82/65/00/447826500.db2.gz DABQWFKGXMXUEH-VXGBXAGGSA-N 1 1 347.375 1.536 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000530891224 447979597 /nfs/dbraw/zinc/97/95/97/447979597.db2.gz YQTRUOKUOGSEBC-NSHDSACASA-N 1 1 341.433 1.832 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C2(O)CC2)c1 ZINC000571381317 448144262 /nfs/dbraw/zinc/14/42/62/448144262.db2.gz BHWUMNNEYYRCNF-GOEBONIOSA-N 1 1 336.388 1.714 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531823634 448153076 /nfs/dbraw/zinc/15/30/76/448153076.db2.gz KJKSTQQFXCUAPP-JOYOIKCWSA-N 1 1 333.344 1.536 20 5 EDBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000531887717 448167550 /nfs/dbraw/zinc/16/75/50/448167550.db2.gz LWQHXPIDERRYIY-VXGBXAGGSA-N 1 1 336.392 1.607 20 5 EDBDMO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000582543078 448268822 /nfs/dbraw/zinc/26/88/22/448268822.db2.gz OXUCFHDNDNFKHG-GFCCVEGCSA-N 1 1 339.417 1.672 20 5 EDBDMO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000582543078 448268830 /nfs/dbraw/zinc/26/88/30/448268830.db2.gz OXUCFHDNDNFKHG-GFCCVEGCSA-N 1 1 339.417 1.672 20 5 EDBDMO C[C@H]1CC[N@@H+](CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000533097878 448356991 /nfs/dbraw/zinc/35/69/91/448356991.db2.gz MLUBGRUKRJPHBN-LBPRGKRZSA-N 1 1 327.406 1.356 20 5 EDBDMO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000572393830 448367641 /nfs/dbraw/zinc/36/76/41/448367641.db2.gz ZSBHEBCYGODABE-GJZGRUSLSA-N 1 1 337.420 1.656 20 5 EDBDMO CCC[N@H+]1CC[C@@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000572393830 448367644 /nfs/dbraw/zinc/36/76/44/448367644.db2.gz ZSBHEBCYGODABE-GJZGRUSLSA-N 1 1 337.420 1.656 20 5 EDBDMO O=C1[C@@H]([N@H+]2CC[C@@H]3OCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000572717848 448446695 /nfs/dbraw/zinc/44/66/95/448446695.db2.gz GDCQFSTVUTWDAY-KCXAZCMYSA-N 1 1 331.372 1.811 20 5 EDBDMO Cc1nnsc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567043285 448602530 /nfs/dbraw/zinc/60/25/30/448602530.db2.gz PDUFZOKGIYYBCI-UHFFFAOYSA-N 1 1 342.402 1.318 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CCC[N@H+]3C)CC2)n1 ZINC000588011374 448857697 /nfs/dbraw/zinc/85/76/97/448857697.db2.gz CPWDAMNLPRWZLH-UHFFFAOYSA-N 1 1 334.376 1.841 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000588814228 448933792 /nfs/dbraw/zinc/93/37/92/448933792.db2.gz UUDXPABACQXJFG-AWEZNQCLSA-N 1 1 337.424 1.811 20 5 EDBDMO C[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CCO ZINC000595706089 449126413 /nfs/dbraw/zinc/12/64/13/449126413.db2.gz XJRHGBFZEDGQBT-XJKSGUPXSA-N 1 1 347.415 1.967 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccccc21 ZINC000593096426 449132546 /nfs/dbraw/zinc/13/25/46/449132546.db2.gz SIFKBYAMOGCWQH-BBRMVZONSA-N 1 1 330.388 1.814 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595735790 449137561 /nfs/dbraw/zinc/13/75/61/449137561.db2.gz CSFFZXQUTUORMO-LALPHHSUSA-N 1 1 346.387 1.522 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595735790 449137564 /nfs/dbraw/zinc/13/75/64/449137564.db2.gz CSFFZXQUTUORMO-LALPHHSUSA-N 1 1 346.387 1.522 20 5 EDBDMO O=C(C[N@@H+]1CC[C@H](O)C12CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000590122750 449109426 /nfs/dbraw/zinc/10/94/26/449109426.db2.gz LSYYPGLFDHPOHI-INIZCTEOSA-N 1 1 345.399 1.863 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000597854618 449125080 /nfs/dbraw/zinc/12/50/80/449125080.db2.gz KCQHUVWPXICFAY-GFCCVEGCSA-N 1 1 337.424 1.763 20 5 EDBDMO CCN(C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000597944979 449154094 /nfs/dbraw/zinc/15/40/94/449154094.db2.gz FRIWYDODASOIEB-WFASDCNBSA-N 1 1 348.403 1.266 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611088176 449165106 /nfs/dbraw/zinc/16/51/06/449165106.db2.gz IGVBBWZWPNYDHL-NSHDSACASA-N 1 1 335.360 1.532 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611088176 449165112 /nfs/dbraw/zinc/16/51/12/449165112.db2.gz IGVBBWZWPNYDHL-NSHDSACASA-N 1 1 335.360 1.532 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H]2COC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595826946 449190763 /nfs/dbraw/zinc/19/07/63/449190763.db2.gz BGKUXBYLWPRMNU-ZIAGYGMSSA-N 1 1 331.372 1.452 20 5 EDBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCN1CCCS1(=O)=O ZINC000611276835 449246785 /nfs/dbraw/zinc/24/67/85/449246785.db2.gz SUOFRTWXDRWVKE-DAXSKMNVSA-N 1 1 339.417 1.575 20 5 EDBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCN1CCCS1(=O)=O 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O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)NC1CCCC1 ZINC000609846438 450104515 /nfs/dbraw/zinc/10/45/15/450104515.db2.gz SKJJMCSQMROHBR-CYBMUJFWSA-N 1 1 333.392 1.535 20 5 EDBDMO Cc1ccc(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000599693774 450157394 /nfs/dbraw/zinc/15/73/94/450157394.db2.gz CPRFILZQJFUNHW-ZDUSSCGKSA-N 1 1 349.391 1.365 20 5 EDBDMO CC[N@H+]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000595536387 450215041 /nfs/dbraw/zinc/21/50/41/450215041.db2.gz REUOCTTYTNVRMC-CQSZACIVSA-N 1 1 346.431 1.900 20 5 EDBDMO CC(C)c1n[nH]c(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597716983 450216977 /nfs/dbraw/zinc/21/69/77/450216977.db2.gz VCXLDVBLYREOII-INIZCTEOSA-N 1 1 335.408 1.999 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597716983 450216984 /nfs/dbraw/zinc/21/69/84/450216984.db2.gz VCXLDVBLYREOII-INIZCTEOSA-N 1 1 335.408 1.999 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597716983 450216991 /nfs/dbraw/zinc/21/69/91/450216991.db2.gz VCXLDVBLYREOII-INIZCTEOSA-N 1 1 335.408 1.999 20 5 EDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000597716263 450217499 /nfs/dbraw/zinc/21/74/99/450217499.db2.gz QIGJJKAZYDGYLN-KRWDZBQOSA-N 1 1 347.371 1.881 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cn[nH]c1 ZINC000610662095 450287992 /nfs/dbraw/zinc/28/79/92/450287992.db2.gz DSZPTBKOOUUAEL-UHFFFAOYSA-N 1 1 333.348 1.787 20 5 EDBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603848332 450358227 /nfs/dbraw/zinc/35/82/27/450358227.db2.gz MIRJNNPNFBIIRA-UHFFFAOYSA-N 1 1 335.408 1.370 20 5 EDBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603848332 450358234 /nfs/dbraw/zinc/35/82/34/450358234.db2.gz MIRJNNPNFBIIRA-UHFFFAOYSA-N 1 1 335.408 1.370 20 5 EDBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[C@H](C)[N@H+]1C ZINC000619581415 450512084 /nfs/dbraw/zinc/51/20/84/450512084.db2.gz DCZBJZQZBWCAAO-ZOWXZIJZSA-N 1 1 348.403 1.312 20 5 EDBDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])ccn1 ZINC000347568015 491006456 /nfs/dbraw/zinc/00/64/56/491006456.db2.gz UGRSSYGFDLDZRA-SNVBAGLBSA-N 1 1 330.344 1.948 20 5 EDBDMO COc1cc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184201780 533811483 /nfs/dbraw/zinc/81/14/83/533811483.db2.gz WMDZTVNIMGSJSS-NWDGAFQWSA-N 1 1 341.383 1.629 20 5 EDBDMO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000184404302 534069665 /nfs/dbraw/zinc/06/96/65/534069665.db2.gz QBXVAUZEPZFSFK-NSHDSACASA-N 1 1 327.406 1.497 20 5 EDBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000247111493 536438484 /nfs/dbraw/zinc/43/84/84/536438484.db2.gz YCNNTYYAGHGGRG-FZMZJTMJSA-N 1 1 335.360 1.441 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000248752414 536473569 /nfs/dbraw/zinc/47/35/69/536473569.db2.gz VDKSZPNNVYDETC-SWLSCSKDSA-N 1 1 339.417 1.700 20 5 EDBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184403605 529148105 /nfs/dbraw/zinc/14/81/05/529148105.db2.gz HZAPAXWRFOQRBJ-CYBMUJFWSA-N 1 1 349.435 1.180 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248185171 536377680 /nfs/dbraw/zinc/37/76/80/536377680.db2.gz XEXIZMDLJAJVFM-CZUORRHYSA-N 1 1 333.388 1.916 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[NH+]1CCOCC1 ZINC000244180347 536886791 /nfs/dbraw/zinc/88/67/91/536886791.db2.gz VISZTHJSKJZLGI-UHFFFAOYSA-N 1 1 338.364 1.447 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000741503938 579420230 /nfs/dbraw/zinc/42/02/30/579420230.db2.gz ZDZMYPBFVFXJGR-UHFFFAOYSA-N 1 1 326.422 1.850 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000742200608 579114403 /nfs/dbraw/zinc/11/44/03/579114403.db2.gz ZMBFXXYNMNBSCB-LLVKDONJSA-N 1 1 337.376 1.778 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000742200608 579114405 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EDBDMO O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000776578565 580421973 /nfs/dbraw/zinc/42/19/73/580421973.db2.gz GKTCFTHPCNSSII-MSOLQXFVSA-N 1 1 349.431 1.815 20 5 EDBDMO O=C([C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000776581684 580422100 /nfs/dbraw/zinc/42/21/00/580422100.db2.gz HINRAVDKMJONJQ-NVXWUHKLSA-N 1 1 347.415 1.963 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000776587431 580422608 /nfs/dbraw/zinc/42/26/08/580422608.db2.gz GHEXKXSWOXDTLJ-ZWKOTPCHSA-N 1 1 349.431 1.815 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](CCCCO)CC2)c1 ZINC000782335119 580572233 /nfs/dbraw/zinc/57/22/33/580572233.db2.gz QYAKUDDDEBCFFB-UHFFFAOYSA-N 1 1 337.376 1.276 20 5 EDBDMO C/C(=C/C(=O)NCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000784972028 580633175 /nfs/dbraw/zinc/63/31/75/580633175.db2.gz FVZIGOUZNWUIOS-YPKPFQOOSA-N 1 1 333.388 1.837 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)[C@@H]1C 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COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cn1c[nH+]cc1C ZINC000859950381 596232694 /nfs/dbraw/zinc/23/26/94/596232694.db2.gz BJXAHTKNVFZKGB-UHFFFAOYSA-N 1 1 348.315 1.290 20 5 EDBDMO O=C1CN(C[NH+](C2CC2)C2CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000863302887 596544681 /nfs/dbraw/zinc/54/46/81/596544681.db2.gz NWWCFIQCVXSNLX-UHFFFAOYSA-N 1 1 330.344 1.948 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000867815007 596566319 /nfs/dbraw/zinc/56/63/19/596566319.db2.gz WPVOAEVHGUVOEJ-UKRRQHHQSA-N 1 1 339.417 1.451 20 5 EDBDMO O=[N+]([O-])c1ccc2nccc(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)c2c1 ZINC000865484766 596588148 /nfs/dbraw/zinc/58/81/48/596588148.db2.gz ISILLXAVMVEBGI-UONOGXRCSA-N 1 1 328.372 1.840 20 5 EDBDMO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000866120442 596795326 /nfs/dbraw/zinc/79/53/26/596795326.db2.gz ABPPVSJLADUJAJ-UHFFFAOYSA-N 1 1 331.351 1.889 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872278014 596865542 /nfs/dbraw/zinc/86/55/42/596865542.db2.gz DJSTWYJKSKKBEU-ZBFHGGJFSA-N 1 1 338.408 1.576 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(Cn3cc([N+](=O)[O-])c(-c4ccccn4)n3)CC[C@@H]21 ZINC000872724946 597046954 /nfs/dbraw/zinc/04/69/54/597046954.db2.gz ZZJUOYQFFJUVKQ-ZFWWWQNUSA-N 1 1 342.403 1.837 20 5 EDBDMO COc1cc(OCC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000874841878 597194466 /nfs/dbraw/zinc/19/44/66/597194466.db2.gz FIIPTVLYGLWMBM-KBPBESRZSA-N 1 1 349.387 1.677 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000877451243 597517287 /nfs/dbraw/zinc/51/72/87/597517287.db2.gz KUDAIUSQMDXKCA-UXLLHSPISA-N 1 1 332.404 1.464 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(c2nncn2C)CC1 ZINC000877618361 597541965 /nfs/dbraw/zinc/54/19/65/597541965.db2.gz QQOIGYQAPRNUDI-UHFFFAOYSA-N 1 1 330.392 1.662 20 5 EDBDMO COC(=O)C1=NO[C@@]2(CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000877712409 597549485 /nfs/dbraw/zinc/54/94/85/597549485.db2.gz LNOFIILGPUWWJR-INIZCTEOSA-N 1 1 333.344 1.531 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000882988042 597608654 /nfs/dbraw/zinc/60/86/54/597608654.db2.gz XHTHLHRTLYUXEY-HNNXBMFYSA-N 1 1 349.435 1.507 20 5 EDBDMO COc1ccc(NC(=O)CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000879574957 597637955 /nfs/dbraw/zinc/63/79/55/597637955.db2.gz HEYMOLFBNAAACT-DOMZBBRYSA-N 1 1 348.403 1.568 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880083808 597836552 /nfs/dbraw/zinc/83/65/52/597836552.db2.gz VCAZQLYOXODOBO-OAHLLOKOSA-N 1 1 345.359 1.749 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000879340852 597892890 /nfs/dbraw/zinc/89/28/90/597892890.db2.gz BYCURPOZPVCYIO-CYZMBNFOSA-N 1 1 334.294 1.731 20 5 EDBDMO C[C@H]1COCC[N@H+]1C1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000882538763 597988467 /nfs/dbraw/zinc/98/84/67/597988467.db2.gz KMLRCEJFLGCZND-ZDUSSCGKSA-N 1 1 345.403 1.932 20 5 EDBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000916598308 696684767 /nfs/dbraw/zinc/68/47/67/696684767.db2.gz VGSBLDKJIUBDRQ-ZDUSSCGKSA-N 1 1 349.387 1.233 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000917655967 697056068 /nfs/dbraw/zinc/05/60/68/697056068.db2.gz WQHZRCBZGHWIOJ-QWHCGFSZSA-N 1 1 339.417 1.808 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000917654588 697059376 /nfs/dbraw/zinc/05/93/76/697059376.db2.gz HSWZUOCNELNHOL-AAEUAGOBSA-N 1 1 325.390 1.500 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccncc1F ZINC001031587185 697282690 /nfs/dbraw/zinc/28/26/90/697282690.db2.gz UIBRDHGROHFJTB-UHFFFAOYSA-N 1 1 344.346 1.991 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1csc(=O)[nH]1 ZINC001031914830 700969990 /nfs/dbraw/zinc/96/99/90/700969990.db2.gz UIQADFUNDRPIQI-UHFFFAOYSA-N 1 1 348.384 1.619 20 5 EDBDMO CCc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996428468 702782827 /nfs/dbraw/zinc/78/28/27/702782827.db2.gz FQVFZLIFXGDIMK-IUODEOHRSA-N 1 1 336.392 1.291 20 5 EDBDMO Cc1ncsc1CC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996428464 702782912 /nfs/dbraw/zinc/78/29/12/702782912.db2.gz FLANVWBIISORAM-CHWSQXEVSA-N 1 1 338.433 1.240 20 5 EDBDMO O=C(NC1CC[NH+](C/C=C\c2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002781621 709386859 /nfs/dbraw/zinc/38/68/59/709386859.db2.gz GFHDFRZTWLGQCX-GGVHLCNSSA-N 1 1 329.400 1.946 20 5 EDBDMO Cc1sc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000174172047 231139320 /nfs/dbraw/zinc/13/93/20/231139320.db2.gz PXAFLEFYBUYWSX-LBPRGKRZSA-N 1 1 339.417 1.759 20 5 EDBDMO COc1ccccc1[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+](C)C ZINC000558732309 306246144 /nfs/dbraw/zinc/24/61/44/306246144.db2.gz FRFZWUUNNBOHGG-GFCCVEGCSA-N 1 1 333.348 1.359 20 5 EDBDMO CC[N@H+]1CCC[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000060452648 214637533 /nfs/dbraw/zinc/63/75/33/214637533.db2.gz UPPLFKKZBUNUKB-SNVBAGLBSA-N 1 1 328.394 1.138 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178574974 232265615 /nfs/dbraw/zinc/26/56/15/232265615.db2.gz USXOITJVZPJRJQ-SWLSCSKDSA-N 1 1 333.392 1.267 20 5 EDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000561617571 306289586 /nfs/dbraw/zinc/28/95/86/306289586.db2.gz ZIRXOXBQFKFQQH-CYBMUJFWSA-N 1 1 344.375 1.342 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000561617571 306289587 /nfs/dbraw/zinc/28/95/87/306289587.db2.gz ZIRXOXBQFKFQQH-CYBMUJFWSA-N 1 1 344.375 1.342 20 5 EDBDMO COC(=O)CC1(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000562455710 306299249 /nfs/dbraw/zinc/29/92/49/306299249.db2.gz PACORIFNPDOISS-UHFFFAOYSA-N 1 1 334.376 1.455 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@H]21 ZINC000362024464 283078127 /nfs/dbraw/zinc/07/81/27/283078127.db2.gz QIRCCNFXTJHIIA-ZYHUDNBSSA-N 1 1 343.380 1.449 20 5 EDBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)Nc1ccncc1[N+](=O)[O-] ZINC000183568784 235144205 /nfs/dbraw/zinc/14/42/05/235144205.db2.gz KGBJTZJHDRUBKU-GFCCVEGCSA-N 1 1 337.380 1.348 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])cn(Cc2cn3c(cccc3C)[nH+]2)c1=O ZINC000073527915 138218599 /nfs/dbraw/zinc/21/85/99/138218599.db2.gz SAVWJZXKMYNWLB-UHFFFAOYSA-N 1 1 342.311 1.548 20 5 EDBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413928074 304091134 /nfs/dbraw/zinc/09/11/34/304091134.db2.gz YGNCWKPFIUXWTD-ZDUSSCGKSA-N 1 1 335.360 1.080 20 5 EDBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413928074 304091136 /nfs/dbraw/zinc/09/11/36/304091136.db2.gz YGNCWKPFIUXWTD-ZDUSSCGKSA-N 1 1 335.360 1.080 20 5 EDBDMO CC1CCN(C(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000072665009 216289738 /nfs/dbraw/zinc/28/97/38/216289738.db2.gz NERMRHSMRZDMCV-CQSZACIVSA-N 1 1 347.419 1.735 20 5 EDBDMO CC1CCN(C(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000072665009 216289740 /nfs/dbraw/zinc/28/97/40/216289740.db2.gz NERMRHSMRZDMCV-CQSZACIVSA-N 1 1 347.419 1.735 20 5 EDBDMO Nc1c(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000131631794 223253316 /nfs/dbraw/zinc/25/33/16/223253316.db2.gz CDHGGIPNIVEZQP-GFCCVEGCSA-N 1 1 336.392 1.144 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000110007031 220008583 /nfs/dbraw/zinc/00/85/83/220008583.db2.gz LSNUXXASMCPUBW-UHFFFAOYSA-N 1 1 343.387 1.948 20 5 EDBDMO O=[N+]([O-])c1ccccc1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414989569 304148912 /nfs/dbraw/zinc/14/89/12/304148912.db2.gz QQHYJWMZFJQCJM-ZDUSSCGKSA-N 1 1 332.326 1.521 20 5 EDBDMO COc1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000415140688 304163391 /nfs/dbraw/zinc/16/33/91/304163391.db2.gz NQGBHIGJKOCWCU-ZBFHGGJFSA-N 1 1 347.415 1.804 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000246649954 139116548 /nfs/dbraw/zinc/11/65/48/139116548.db2.gz GKWULKWPZYOHGE-NEPJUHHUSA-N 1 1 346.387 1.603 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1F ZINC000092992325 218185132 /nfs/dbraw/zinc/18/51/32/218185132.db2.gz RMKSWCTZEHYHJF-JTQLQIEISA-N 1 1 345.396 1.803 20 5 EDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261949257 139239373 /nfs/dbraw/zinc/23/93/73/139239373.db2.gz LKWLGIZMEZCERN-MRXNPFEDSA-N 1 1 341.371 1.575 20 5 EDBDMO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261973507 139240990 /nfs/dbraw/zinc/24/09/90/139240990.db2.gz QNMCQDPESJDZOU-LBPRGKRZSA-N 1 1 340.811 1.535 20 5 EDBDMO C[NH2+]CCC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000262129208 139253404 /nfs/dbraw/zinc/25/34/04/139253404.db2.gz WOWQVDBDDVLALC-UHFFFAOYSA-N 1 1 331.376 1.933 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416404438 251067250 /nfs/dbraw/zinc/06/72/50/251067250.db2.gz AFLNAZPDLCEVIX-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416404438 251067256 /nfs/dbraw/zinc/06/72/56/251067256.db2.gz AFLNAZPDLCEVIX-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)n1 ZINC000367530709 285167852 /nfs/dbraw/zinc/16/78/52/285167852.db2.gz HWHXYSVUUGGVHE-CVEARBPZSA-N 1 1 330.388 1.889 20 5 EDBDMO Cc1cccc(NCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000442551648 254549914 /nfs/dbraw/zinc/54/99/14/254549914.db2.gz DZNJJOVUBFKDPL-UHFFFAOYSA-N 1 1 343.343 1.465 20 5 EDBDMO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ncc(Br)cn1 ZINC000433009631 254524685 /nfs/dbraw/zinc/52/46/85/254524685.db2.gz UVIVAZSLPXBDEC-QMMMGPOBSA-N 1 1 341.169 1.695 20 5 EDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486952717 255020843 /nfs/dbraw/zinc/02/08/43/255020843.db2.gz CVCWZDFXOMSGGK-UWVGGRQHSA-N 1 1 327.331 1.967 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1 ZINC000488763187 255053766 /nfs/dbraw/zinc/05/37/66/255053766.db2.gz QGIJDBYUJMLOLU-SLEUVZQESA-N 1 1 348.403 1.943 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000118130623 221128474 /nfs/dbraw/zinc/12/84/74/221128474.db2.gz RRTDQTBBGUFVJG-NSHDSACASA-N 1 1 334.376 1.441 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000180833090 533425199 /nfs/dbraw/zinc/42/51/99/533425199.db2.gz KVUHRIKRCWQTTP-CYBMUJFWSA-N 1 1 349.387 1.613 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000180833090 533425201 /nfs/dbraw/zinc/42/52/01/533425201.db2.gz KVUHRIKRCWQTTP-CYBMUJFWSA-N 1 1 349.387 1.613 20 5 EDBDMO COC(=O)c1cnc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488723505 292030323 /nfs/dbraw/zinc/03/03/23/292030323.db2.gz WPUYRSDVTSUYBD-OUCADQQQSA-N 1 1 348.403 1.943 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000270418812 140096674 /nfs/dbraw/zinc/09/66/74/140096674.db2.gz KOSZDHYIIQVNSA-CYBMUJFWSA-N 1 1 346.387 1.456 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000270740513 140160040 /nfs/dbraw/zinc/16/00/40/140160040.db2.gz GBVRFUGNXDMHKB-UHFFFAOYSA-N 1 1 329.360 1.116 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCc3ccccc3C2)n1 ZINC000270740513 140160041 /nfs/dbraw/zinc/16/00/41/140160041.db2.gz GBVRFUGNXDMHKB-UHFFFAOYSA-N 1 1 329.360 1.116 20 5 EDBDMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000270781321 140167585 /nfs/dbraw/zinc/16/75/85/140167585.db2.gz KCDBAVNDVNNSIB-SNVBAGLBSA-N 1 1 326.784 1.224 20 5 EDBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000270781321 140167586 /nfs/dbraw/zinc/16/75/86/140167586.db2.gz KCDBAVNDVNNSIB-SNVBAGLBSA-N 1 1 326.784 1.224 20 5 EDBDMO O=C(CC[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331501525 141039393 /nfs/dbraw/zinc/03/93/93/141039393.db2.gz AILVUQMUCJATRE-LSDHHAIUSA-N 1 1 346.387 1.666 20 5 EDBDMO O=C(CC[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331501525 141039394 /nfs/dbraw/zinc/03/93/94/141039394.db2.gz AILVUQMUCJATRE-LSDHHAIUSA-N 1 1 346.387 1.666 20 5 EDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000332435128 141181590 /nfs/dbraw/zinc/18/15/90/141181590.db2.gz GMUUPKGKXWMKAD-GFCCVEGCSA-N 1 1 329.360 1.557 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000332435128 141181591 /nfs/dbraw/zinc/18/15/91/141181591.db2.gz GMUUPKGKXWMKAD-GFCCVEGCSA-N 1 1 329.360 1.557 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000339382991 142032713 /nfs/dbraw/zinc/03/27/13/142032713.db2.gz UEHKCABWXIOCEI-CVEARBPZSA-N 1 1 345.403 1.766 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC)[C@@H]2C1 ZINC000339389229 142034308 /nfs/dbraw/zinc/03/43/08/142034308.db2.gz BGRYVDRODMRSFP-NVXWUHKLSA-N 1 1 335.404 1.898 20 5 EDBDMO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+](C)C ZINC000340424118 142387601 /nfs/dbraw/zinc/38/76/01/142387601.db2.gz IIGMOSFYAYJHCR-CYBMUJFWSA-N 1 1 332.360 1.964 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000347222830 143297030 /nfs/dbraw/zinc/29/70/30/143297030.db2.gz UIDHJYLOAGTNJC-GRYCIOLGSA-N 1 1 335.360 1.805 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000347222830 143297031 /nfs/dbraw/zinc/29/70/31/143297031.db2.gz UIDHJYLOAGTNJC-GRYCIOLGSA-N 1 1 335.360 1.805 20 5 EDBDMO CC[N@H+](CCN1CCCCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347317082 143307686 /nfs/dbraw/zinc/30/76/86/143307686.db2.gz PXSBRHUEEONBPP-INIZCTEOSA-N 1 1 339.440 1.350 20 5 EDBDMO CC[N@@H+](CCN1CCCCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347317082 143307687 /nfs/dbraw/zinc/30/76/87/143307687.db2.gz PXSBRHUEEONBPP-INIZCTEOSA-N 1 1 339.440 1.350 20 5 EDBDMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(Cn3cc([N+](=O)[O-])cn3)n1)OC2 ZINC000347343589 143310991 /nfs/dbraw/zinc/31/09/91/143310991.db2.gz SLNDPIBJSPHLJD-BXUZGUMPSA-N 1 1 334.336 1.148 20 5 EDBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(Cn3cc([N+](=O)[O-])cn3)n1)OC2 ZINC000347343589 143310992 /nfs/dbraw/zinc/31/09/92/143310992.db2.gz SLNDPIBJSPHLJD-BXUZGUMPSA-N 1 1 334.336 1.148 20 5 EDBDMO [NH3+]C1CCN(CCCC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000347852420 143370387 /nfs/dbraw/zinc/37/03/87/143370387.db2.gz CCBMSHJHHWOFDX-UHFFFAOYSA-N 1 1 334.420 1.457 20 5 EDBDMO CN1CC[C@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1=O ZINC000352659038 149105272 /nfs/dbraw/zinc/10/52/72/149105272.db2.gz HTOHCLORJAFTCZ-LBPRGKRZSA-N 1 1 348.359 1.055 20 5 EDBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352872713 149197573 /nfs/dbraw/zinc/19/75/73/149197573.db2.gz FBXPFWQEZMMALO-GUTXKFCHSA-N 1 1 326.397 1.168 20 5 EDBDMO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000354886285 150011308 /nfs/dbraw/zinc/01/13/08/150011308.db2.gz AWIKLHDOVBSONL-XOKHGSTOSA-N 1 1 346.387 1.614 20 5 EDBDMO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000354886285 150011310 /nfs/dbraw/zinc/01/13/10/150011310.db2.gz AWIKLHDOVBSONL-XOKHGSTOSA-N 1 1 346.387 1.614 20 5 EDBDMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000355029933 150083095 /nfs/dbraw/zinc/08/30/95/150083095.db2.gz CDSVSNGKMSGHEL-SMDDNHRTSA-N 1 1 345.359 1.981 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355363085 150235228 /nfs/dbraw/zinc/23/52/28/150235228.db2.gz FATDBMYWGXAJFH-HZPDHXFCSA-N 1 1 333.388 1.838 20 5 EDBDMO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000357666116 151108569 /nfs/dbraw/zinc/10/85/69/151108569.db2.gz VTFSQJHABVMLHY-SNVBAGLBSA-N 1 1 333.797 1.621 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000357666116 151108571 /nfs/dbraw/zinc/10/85/71/151108571.db2.gz VTFSQJHABVMLHY-SNVBAGLBSA-N 1 1 333.797 1.621 20 5 EDBDMO C[C@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000357667548 151109151 /nfs/dbraw/zinc/10/91/51/151109151.db2.gz SQPSGFLZKJAKQN-XJKSGUPXSA-N 1 1 348.403 1.599 20 5 EDBDMO Cc1c(CNC(=O)NCC[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000358441879 151377776 /nfs/dbraw/zinc/37/77/76/151377776.db2.gz HUBBOPSNOISSEV-UHFFFAOYSA-N 1 1 338.433 1.751 20 5 EDBDMO CN(C(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000358500227 151397524 /nfs/dbraw/zinc/39/75/24/151397524.db2.gz PRGGLARWBBFCGE-UHFFFAOYSA-N 1 1 332.404 1.633 20 5 EDBDMO CCN1CC[NH+](CCC(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000360525991 152081241 /nfs/dbraw/zinc/08/12/41/152081241.db2.gz COZFUUNRPVXCLS-UHFFFAOYSA-N 1 1 334.420 1.547 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000361289752 152354225 /nfs/dbraw/zinc/35/42/25/152354225.db2.gz XUERNVFBNBNXQX-ZIAGYGMSSA-N 1 1 336.396 1.060 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCN(CC[N@H+]3CCCOCC3)C2)nc1 ZINC000361314889 152360087 /nfs/dbraw/zinc/36/00/87/152360087.db2.gz SYCWIIJZGBHSEE-CQSZACIVSA-N 1 1 335.408 1.198 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCN3CCCOCC3)C2)nc1 ZINC000361314889 152360089 /nfs/dbraw/zinc/36/00/89/152360089.db2.gz SYCWIIJZGBHSEE-CQSZACIVSA-N 1 1 335.408 1.198 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCN3CCCOCC3)C2)nc1 ZINC000361314889 152360093 /nfs/dbraw/zinc/36/00/93/152360093.db2.gz SYCWIIJZGBHSEE-CQSZACIVSA-N 1 1 335.408 1.198 20 5 EDBDMO O=C(CC[N@H+]1CCC(F)(F)[C@@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000361403721 152384384 /nfs/dbraw/zinc/38/43/84/152384384.db2.gz PEXXUJCAWRFHRH-LLVKDONJSA-N 1 1 343.330 1.873 20 5 EDBDMO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362026248 152590503 /nfs/dbraw/zinc/59/05/03/152590503.db2.gz MJKGOXJWKYZLEE-UONOGXRCSA-N 1 1 348.359 1.928 20 5 EDBDMO CC[N@H+]1CC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362594279 152754023 /nfs/dbraw/zinc/75/40/23/152754023.db2.gz ZWHQQSFUXNGRTM-SNVBAGLBSA-N 1 1 327.331 1.874 20 5 EDBDMO CN(C(=O)C[N@@H+]1CCC[C@@H]1Cn1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000363622038 153014718 /nfs/dbraw/zinc/01/47/18/153014718.db2.gz MSSQGSFYZRZUTR-OAHLLOKOSA-N 1 1 344.375 1.314 20 5 EDBDMO CN(C(=O)C[N@H+]1CCC[C@@H]1Cn1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000363622038 153014720 /nfs/dbraw/zinc/01/47/20/153014720.db2.gz MSSQGSFYZRZUTR-OAHLLOKOSA-N 1 1 344.375 1.314 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363688485 153030417 /nfs/dbraw/zinc/03/04/17/153030417.db2.gz DNUXLHHXURLNGR-NEPJUHHUSA-N 1 1 339.779 1.841 20 5 EDBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000363699463 153033248 /nfs/dbraw/zinc/03/32/48/153033248.db2.gz LCKRJQKFCAWSBK-GUYCJALGSA-N 1 1 347.371 1.469 20 5 EDBDMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)no1 ZINC000364018846 153123734 /nfs/dbraw/zinc/12/37/34/153123734.db2.gz FCKJYVRRPZFLOK-ZDUSSCGKSA-N 1 1 345.359 1.765 20 5 EDBDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)no1 ZINC000364018846 153123736 /nfs/dbraw/zinc/12/37/36/153123736.db2.gz FCKJYVRRPZFLOK-ZDUSSCGKSA-N 1 1 345.359 1.765 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000364067434 153137333 /nfs/dbraw/zinc/13/73/33/153137333.db2.gz WUYILEWOUOCZCF-AWEZNQCLSA-N 1 1 339.417 1.762 20 5 EDBDMO C[C@@]1([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000364354726 153215000 /nfs/dbraw/zinc/21/50/00/153215000.db2.gz AHMADEBGYJZZQN-LRDDRELGSA-N 1 1 332.360 1.405 20 5 EDBDMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000367141490 154020972 /nfs/dbraw/zinc/02/09/72/154020972.db2.gz PNMZYLSMCREXHJ-CQSZACIVSA-N 1 1 346.391 1.129 20 5 EDBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367990636 154357473 /nfs/dbraw/zinc/35/74/73/154357473.db2.gz XPRXCBSIUSWIAW-QWRGUYRKSA-N 1 1 345.359 1.903 20 5 EDBDMO NC(=O)c1csc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369555546 155086058 /nfs/dbraw/zinc/08/60/58/155086058.db2.gz DTEAZVPHRYCYJO-UHFFFAOYSA-N 1 1 335.389 1.789 20 5 EDBDMO CC[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000373812889 157016927 /nfs/dbraw/zinc/01/69/27/157016927.db2.gz RFDJMUYNSJUNRR-ZACQAIPSSA-N 1 1 336.388 1.898 20 5 EDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000373812889 157016929 /nfs/dbraw/zinc/01/69/29/157016929.db2.gz RFDJMUYNSJUNRR-ZACQAIPSSA-N 1 1 336.388 1.898 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c2nonc21 ZINC000374540945 157322817 /nfs/dbraw/zinc/32/28/17/157322817.db2.gz IKCYKQSQGUVYOV-VXGBXAGGSA-N 1 1 347.375 1.557 20 5 EDBDMO COc1ccc([C@H](O)[C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000378249132 158119975 /nfs/dbraw/zinc/11/99/75/158119975.db2.gz OJIPWNVWTOOEGG-IRXDYDNUSA-N 1 1 346.387 1.998 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000378407549 158166152 /nfs/dbraw/zinc/16/61/52/158166152.db2.gz XTFJRCCYQFBNMH-CHWSQXEVSA-N 1 1 329.360 1.156 20 5 EDBDMO Cc1nn(CCC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000365214090 162358012 /nfs/dbraw/zinc/35/80/12/162358012.db2.gz SGZWZWKQHSDCFM-CQSZACIVSA-N 1 1 349.435 1.931 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000078572494 287294302 /nfs/dbraw/zinc/29/43/02/287294302.db2.gz HAZPVTOXDKZSKT-GFCCVEGCSA-N 1 1 327.406 1.523 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000123499224 222288034 /nfs/dbraw/zinc/28/80/34/222288034.db2.gz XTKGEKDGKBITHS-LLVKDONJSA-N 1 1 347.462 1.975 20 5 EDBDMO Cc1nn(CCC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)c(C)c1[N+](=O)[O-] ZINC000275445332 268343261 /nfs/dbraw/zinc/34/32/61/268343261.db2.gz WBSBSWQSTCXGCE-ZDUSSCGKSA-N 1 1 346.391 1.374 20 5 EDBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000279239507 273287335 /nfs/dbraw/zinc/28/73/35/273287335.db2.gz FWOXEAPXSRITLD-UHFFFAOYSA-N 1 1 335.404 1.707 20 5 EDBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000279239507 273287336 /nfs/dbraw/zinc/28/73/36/273287336.db2.gz FWOXEAPXSRITLD-UHFFFAOYSA-N 1 1 335.404 1.707 20 5 EDBDMO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000282455580 273654968 /nfs/dbraw/zinc/65/49/68/273654968.db2.gz SRRNPNSNPAIPKJ-CABZTGNLSA-N 1 1 331.332 1.402 20 5 EDBDMO CC[C@H](O)C[NH+]1CCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000360136524 273754388 /nfs/dbraw/zinc/75/43/88/273754388.db2.gz VUGZRFSGMKZVOQ-ZDUSSCGKSA-N 1 1 337.376 1.274 20 5 EDBDMO CN1CCO[C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]21 ZINC000284380016 274181738 /nfs/dbraw/zinc/18/17/38/274181738.db2.gz FKQVBQGXFRYDNP-HZPDHXFCSA-N 1 1 349.387 1.366 20 5 EDBDMO CN1CCO[C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]21 ZINC000284380016 274181740 /nfs/dbraw/zinc/18/17/40/274181740.db2.gz FKQVBQGXFRYDNP-HZPDHXFCSA-N 1 1 349.387 1.366 20 5 EDBDMO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC(=O)N1C ZINC000284614744 274265034 /nfs/dbraw/zinc/26/50/34/274265034.db2.gz RYBLPBQBCPSZEM-CZUORRHYSA-N 1 1 347.350 1.529 20 5 EDBDMO C[N@H+]1CCO[C@H]2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C[C@H]21 ZINC000284860617 274362727 /nfs/dbraw/zinc/36/27/27/274362727.db2.gz FIAJXSXHIAVQSR-NEPJUHHUSA-N 1 1 346.309 1.918 20 5 EDBDMO O=C1[C@H]([N@H+]2CC[C@]3(CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000153802086 275030335 /nfs/dbraw/zinc/03/03/35/275030335.db2.gz PZIRDBAWHOAFOG-WBVHZDCISA-N 1 1 331.372 1.813 20 5 EDBDMO C[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000068103477 278282622 /nfs/dbraw/zinc/28/26/22/278282622.db2.gz GJQJQFZTYIVSCY-NSHDSACASA-N 1 1 331.376 1.933 20 5 EDBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000179716255 279282947 /nfs/dbraw/zinc/28/29/47/279282947.db2.gz PGDZRISVWZZDIO-GFCCVEGCSA-N 1 1 331.376 1.579 20 5 EDBDMO C[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000293902235 303036224 /nfs/dbraw/zinc/03/62/24/303036224.db2.gz HHSGKAQIPLWMGE-ZDUSSCGKSA-N 1 1 334.420 1.582 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000294351062 303095809 /nfs/dbraw/zinc/09/58/09/303095809.db2.gz BDSXXFMAHHLWGM-JTQLQIEISA-N 1 1 325.340 1.814 20 5 EDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000295382227 303211615 /nfs/dbraw/zinc/21/16/15/303211615.db2.gz GYSUGOQHVAFEDO-NSHDSACASA-N 1 1 341.795 1.825 20 5 EDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000295440611 303219949 /nfs/dbraw/zinc/21/99/49/303219949.db2.gz LKNFJEKJMGHWRA-LBPRGKRZSA-N 1 1 325.340 1.311 20 5 EDBDMO CCOc1cc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)ccc1[N+](=O)[O-] ZINC000295464613 303223368 /nfs/dbraw/zinc/22/33/68/303223368.db2.gz QIOPGUMUQLXKQO-YOEHRIQHSA-N 1 1 335.404 1.898 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295695953 303253897 /nfs/dbraw/zinc/25/38/97/303253897.db2.gz BQXXIBBHPSHOFA-UHFFFAOYSA-N 1 1 349.778 1.944 20 5 EDBDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296350232 303312329 /nfs/dbraw/zinc/31/23/29/303312329.db2.gz QKLVJSFGZUONRO-INIZCTEOSA-N 1 1 338.360 1.615 20 5 EDBDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430209585 305047567 /nfs/dbraw/zinc/04/75/67/305047567.db2.gz RVFAXQWDYZKWCH-HNNXBMFYSA-N 1 1 326.349 1.661 20 5 EDBDMO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000434705910 305128566 /nfs/dbraw/zinc/12/85/66/305128566.db2.gz LCDFLLPIDHKTGI-LBPRGKRZSA-N 1 1 333.392 1.624 20 5 EDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000434705910 305128567 /nfs/dbraw/zinc/12/85/67/305128567.db2.gz LCDFLLPIDHKTGI-LBPRGKRZSA-N 1 1 333.392 1.624 20 5 EDBDMO CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCNC1=O ZINC000440956335 305214706 /nfs/dbraw/zinc/21/47/06/305214706.db2.gz AZXNFULDHCMXSH-LBPRGKRZSA-N 1 1 348.359 1.103 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000445127878 305257012 /nfs/dbraw/zinc/25/70/12/305257012.db2.gz DGPUXFQGASEFMM-WDEREUQCSA-N 1 1 346.391 1.753 20 5 EDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548388150 306126183 /nfs/dbraw/zinc/12/61/83/306126183.db2.gz OCGUKEUPIMGHFD-UHFFFAOYSA-N 1 1 331.332 1.046 20 5 EDBDMO C[C@H](c1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000548414156 306127536 /nfs/dbraw/zinc/12/75/36/306127536.db2.gz SOACXKKFYOKSCU-LLVKDONJSA-N 1 1 345.359 1.963 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](CO)[C@H](O)C3)o2)c1 ZINC000554742176 306197311 /nfs/dbraw/zinc/19/73/11/306197311.db2.gz ULINFNQOVSSJEH-DZGCQCFKSA-N 1 1 347.371 1.467 20 5 EDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000554835320 306198475 /nfs/dbraw/zinc/19/84/75/306198475.db2.gz SHGGVTULCONOFZ-IAGOWNOFSA-N 1 1 338.404 1.626 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000493735182 447382350 /nfs/dbraw/zinc/38/23/50/447382350.db2.gz HEZTVWQTZXJAPR-UHFFFAOYSA-N 1 1 327.406 1.584 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)nn21 ZINC000378364622 447422609 /nfs/dbraw/zinc/42/26/09/447422609.db2.gz RAFKWBOXAUWZCB-CHWSQXEVSA-N 1 1 346.391 1.693 20 5 EDBDMO Cc1cc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)ncc1[N+](=O)[O-] ZINC000080605722 441183166 /nfs/dbraw/zinc/18/31/66/441183166.db2.gz CCABZUROJOCYHM-UHFFFAOYSA-N 1 1 343.391 1.481 20 5 EDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000060669820 441255922 /nfs/dbraw/zinc/25/59/22/441255922.db2.gz BKZVVMOJLFFCQK-LBPRGKRZSA-N 1 1 349.387 1.970 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072829140 441264302 /nfs/dbraw/zinc/26/43/02/441264302.db2.gz UQHFWIIQNRIWFL-QGZVFWFLSA-N 1 1 346.387 1.444 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072829140 441264305 /nfs/dbraw/zinc/26/43/05/441264305.db2.gz UQHFWIIQNRIWFL-QGZVFWFLSA-N 1 1 346.387 1.444 20 5 EDBDMO C[N@@H+](CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000073051657 441289006 /nfs/dbraw/zinc/28/90/06/441289006.db2.gz RXPXDNQAHJYOFQ-UHFFFAOYSA-N 1 1 335.360 1.119 20 5 EDBDMO C[C@@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[N@@H+](C)C1CC1 ZINC000073075189 441290908 /nfs/dbraw/zinc/29/09/08/441290908.db2.gz QFUCYMYMGUMBHH-NSHDSACASA-N 1 1 349.387 1.507 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000052365248 441448436 /nfs/dbraw/zinc/44/84/36/441448436.db2.gz ZBGGHYSFEHUQOY-UHFFFAOYSA-N 1 1 331.332 1.163 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000108952963 441482960 /nfs/dbraw/zinc/48/29/60/441482960.db2.gz AHWJNIJTFWIDBA-ZDUSSCGKSA-N 1 1 334.376 1.230 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000108952963 441482964 /nfs/dbraw/zinc/48/29/64/441482964.db2.gz AHWJNIJTFWIDBA-ZDUSSCGKSA-N 1 1 334.376 1.230 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000065791840 441485317 /nfs/dbraw/zinc/48/53/17/441485317.db2.gz DWGFMANUPKMICW-UHFFFAOYSA-N 1 1 341.433 1.921 20 5 EDBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000065881084 441491986 /nfs/dbraw/zinc/49/19/86/441491986.db2.gz FXBUPGUPJOJCEM-UHFFFAOYSA-N 1 1 345.403 1.950 20 5 EDBDMO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(c3ncccn3)CC2)nc1 ZINC000052433738 441451691 /nfs/dbraw/zinc/45/16/91/441451691.db2.gz JIGWTBMEMYWTAI-UHFFFAOYSA-N 1 1 329.364 1.014 20 5 EDBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000110019051 441513084 /nfs/dbraw/zinc/51/30/84/441513084.db2.gz MYVGMJAUQVABOV-BQYQJAHWSA-N 1 1 346.431 1.704 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c1 ZINC000075712039 441550877 /nfs/dbraw/zinc/55/08/77/441550877.db2.gz BLXNGBJTMUJFFS-GDBMZVCRSA-N 1 1 337.424 1.103 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2CN2CCCCC2)c1 ZINC000075712039 441550883 /nfs/dbraw/zinc/55/08/83/441550883.db2.gz BLXNGBJTMUJFFS-GDBMZVCRSA-N 1 1 337.424 1.103 20 5 EDBDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075710997 441550980 /nfs/dbraw/zinc/55/09/80/441550980.db2.gz RYMJVRHMDPNKHK-RRQGHBQHSA-N 1 1 346.387 1.614 20 5 EDBDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075710997 441550986 /nfs/dbraw/zinc/55/09/86/441550986.db2.gz RYMJVRHMDPNKHK-RRQGHBQHSA-N 1 1 346.387 1.614 20 5 EDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066614585 441552108 /nfs/dbraw/zinc/55/21/08/441552108.db2.gz MXOMKLSXJSIFGW-LBPRGKRZSA-N 1 1 349.387 1.970 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000066640942 441556575 /nfs/dbraw/zinc/55/65/75/441556575.db2.gz JLWPSALAEYIHKX-GFCCVEGCSA-N 1 1 349.387 1.826 20 5 EDBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000090465799 441631125 /nfs/dbraw/zinc/63/11/25/441631125.db2.gz 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341.795 1.775 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000267414390 443448804 /nfs/dbraw/zinc/44/88/04/443448804.db2.gz UQNPPYISHOTHRZ-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272853971 443468296 /nfs/dbraw/zinc/46/82/96/443468296.db2.gz VYPFSTCYACHSQH-JTQLQIEISA-N 1 1 347.824 1.749 20 5 EDBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272853971 443468301 /nfs/dbraw/zinc/46/83/01/443468301.db2.gz VYPFSTCYACHSQH-JTQLQIEISA-N 1 1 347.824 1.749 20 5 EDBDMO COc1cc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)ccc1F ZINC000282914970 443468484 /nfs/dbraw/zinc/46/84/84/443468484.db2.gz XXVQBEDAJOARFN-UHFFFAOYSA-N 1 1 349.366 1.761 20 5 EDBDMO COc1ccc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000265235364 443579431 /nfs/dbraw/zinc/57/94/31/443579431.db2.gz QDFDZWOOJAAXIP-LBPRGKRZSA-N 1 1 343.405 1.104 20 5 EDBDMO COc1ccc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000265235364 443579435 /nfs/dbraw/zinc/57/94/35/443579435.db2.gz QDFDZWOOJAAXIP-LBPRGKRZSA-N 1 1 343.405 1.104 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272336396 443595376 /nfs/dbraw/zinc/59/53/76/443595376.db2.gz NPUTWDFIQXWANW-BXKDBHETSA-N 1 1 333.344 1.536 20 5 EDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000441100763 320089185 /nfs/dbraw/zinc/08/91/85/320089185.db2.gz ZWGHZVPFQKQSMD-OLZOCXBDSA-N 1 1 348.403 1.783 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000441100763 320089187 /nfs/dbraw/zinc/08/91/87/320089187.db2.gz ZWGHZVPFQKQSMD-OLZOCXBDSA-N 1 1 348.403 1.783 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451699285 320237810 /nfs/dbraw/zinc/23/78/10/320237810.db2.gz UTHLXFFGBTUFSI-UXIGCNINSA-N 1 1 333.388 1.677 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452115831 320242853 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NLBUGVBBRVIUSR-KGLIPLIRSA-N 1 1 339.417 1.808 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000298455123 443772883 /nfs/dbraw/zinc/77/28/83/443772883.db2.gz RHEBSWVMXODOKI-NHYWBVRUSA-N 1 1 337.376 1.777 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000276651274 443778335 /nfs/dbraw/zinc/77/83/35/443778335.db2.gz DACUORUZDPRMQO-UHFFFAOYSA-N 1 1 341.433 1.928 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000276651274 443778338 /nfs/dbraw/zinc/77/83/38/443778338.db2.gz DACUORUZDPRMQO-UHFFFAOYSA-N 1 1 341.433 1.928 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000298642566 443827289 /nfs/dbraw/zinc/82/72/89/443827289.db2.gz PTWVCRMIKDXYAP-UHFFFAOYSA-N 1 1 334.376 1.396 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281170803 443838261 /nfs/dbraw/zinc/83/82/61/443838261.db2.gz IUPSCKPCFYSHCG-UHFFFAOYSA-N 1 1 332.360 1.993 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000281391969 443898411 /nfs/dbraw/zinc/89/84/11/443898411.db2.gz NACKQMGTKVNBGX-ARFHVFGLSA-N 1 1 335.404 1.772 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C)C1 ZINC000288517361 443904971 /nfs/dbraw/zinc/90/49/71/443904971.db2.gz RCCRGLNXIMJJMR-LBPRGKRZSA-N 1 1 344.375 1.342 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C)C1 ZINC000288517361 443904974 /nfs/dbraw/zinc/90/49/74/443904974.db2.gz RCCRGLNXIMJJMR-LBPRGKRZSA-N 1 1 344.375 1.342 20 5 EDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCS(=O)(=O)C1 ZINC000285273012 443921399 /nfs/dbraw/zinc/92/13/99/443921399.db2.gz ITKSXIPJPYAETA-CYBMUJFWSA-N 1 1 326.418 1.894 20 5 EDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCS(=O)(=O)C1 ZINC000285273012 443921402 /nfs/dbraw/zinc/92/14/02/443921402.db2.gz ITKSXIPJPYAETA-CYBMUJFWSA-N 1 1 326.418 1.894 20 5 EDBDMO O=C(CC[N@@H+]1CCC[C@H](O)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000293319379 443982717 /nfs/dbraw/zinc/98/27/17/443982717.db2.gz XMMGANDZRDWNSO-LBPRGKRZSA-N 1 1 325.340 1.909 20 5 EDBDMO CC(C)n1cc([C@@]2(O)CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000285439684 443984848 /nfs/dbraw/zinc/98/48/48/443984848.db2.gz ISRYDJNRROKTRR-MRXNPFEDSA-N 1 1 331.376 1.861 20 5 EDBDMO CC(C)n1cc([C@@]2(O)CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000285439684 443984853 /nfs/dbraw/zinc/98/48/53/443984853.db2.gz ISRYDJNRROKTRR-MRXNPFEDSA-N 1 1 331.376 1.861 20 5 EDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@](O)(c2nc(C3CC3)no2)C1 ZINC000277502974 443997297 /nfs/dbraw/zinc/99/72/97/443997297.db2.gz SALATFSOTNJEAL-MRXNPFEDSA-N 1 1 330.344 1.949 20 5 EDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@](O)(c2nc(C3CC3)no2)C1 ZINC000277502974 443997301 /nfs/dbraw/zinc/99/73/01/443997301.db2.gz SALATFSOTNJEAL-MRXNPFEDSA-N 1 1 330.344 1.949 20 5 EDBDMO C[N@H+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1(C)C ZINC000281890907 444032933 /nfs/dbraw/zinc/03/29/33/444032933.db2.gz YCPXNVGAXLTDMW-UHFFFAOYSA-N 1 1 326.422 1.412 20 5 EDBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000289209662 444077426 /nfs/dbraw/zinc/07/74/26/444077426.db2.gz BWDRJKQETUCXFU-CXAGYDPISA-N 1 1 346.387 1.856 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000285709777 444080563 /nfs/dbraw/zinc/08/05/63/444080563.db2.gz JESDDQOPKZCSIW-KBPBESRZSA-N 1 1 339.779 1.793 20 5 EDBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000564693104 321142089 /nfs/dbraw/zinc/14/20/89/321142089.db2.gz IZNJMVRKAWLLKV-NSHDSACASA-N 1 1 337.376 1.825 20 5 EDBDMO C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@@H+](C)C1CC1 ZINC000278200713 444116237 /nfs/dbraw/zinc/11/62/37/444116237.db2.gz PVNSVYJTKYZIKY-JTQLQIEISA-N 1 1 346.391 1.753 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289490374 444157530 /nfs/dbraw/zinc/15/75/30/444157530.db2.gz IZVDXRFXIHJWNN-GOEBONIOSA-N 1 1 333.388 1.790 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289490376 444157743 /nfs/dbraw/zinc/15/77/43/444157743.db2.gz IZVDXRFXIHJWNN-HOCLYGCPSA-N 1 1 333.388 1.790 20 5 EDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000301360059 444166603 /nfs/dbraw/zinc/16/66/03/444166603.db2.gz OLAURXGTSAYXSF-GDLCADMTSA-N 1 1 331.376 1.009 20 5 EDBDMO CNc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000574690238 321496009 /nfs/dbraw/zinc/49/60/09/321496009.db2.gz AWMUPYUCVVKUIN-MRXNPFEDSA-N 1 1 341.371 1.818 20 5 EDBDMO COc1cc(N2CC[N@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000302498066 444215001 /nfs/dbraw/zinc/21/50/01/444215001.db2.gz BZXVJUXGYPLZKJ-UHFFFAOYSA-N 1 1 327.356 1.635 20 5 EDBDMO COc1cc(N2CC[N@@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000302498066 444215004 /nfs/dbraw/zinc/21/50/04/444215004.db2.gz BZXVJUXGYPLZKJ-UHFFFAOYSA-N 1 1 327.356 1.635 20 5 EDBDMO Cc1cc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301961082 444198526 /nfs/dbraw/zinc/19/85/26/444198526.db2.gz MNHYOWAVTWMWNE-MRXNPFEDSA-N 1 1 332.404 1.822 20 5 EDBDMO O=C1COc2cc([N+](=O)[O-])c(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc2N1 ZINC000327488238 444383015 /nfs/dbraw/zinc/38/30/15/444383015.db2.gz XMKJXONLQJBKMG-MNOVXSKESA-N 1 1 348.359 1.201 20 5 EDBDMO CC[C@@H](CO)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298054901 444399815 /nfs/dbraw/zinc/39/98/15/444399815.db2.gz FRAKKNXYEIOGOP-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000342209592 444566597 /nfs/dbraw/zinc/56/65/97/444566597.db2.gz SXEKQYHEEVFHPH-KGLIPLIRSA-N 1 1 344.371 1.288 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2C[C@@H](OC)C[N@@H+]2C)c1 ZINC000343880333 444642818 /nfs/dbraw/zinc/64/28/18/444642818.db2.gz QWHFXPUXXNVIBH-CHWSQXEVSA-N 1 1 337.376 1.537 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343990487 444713149 /nfs/dbraw/zinc/71/31/49/444713149.db2.gz 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20 5 EDBDMO CC(=O)NCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCSCC1 ZINC000338586629 444757950 /nfs/dbraw/zinc/75/79/50/444757950.db2.gz IGGXHEKNKBCKAM-UHFFFAOYSA-N 1 1 341.437 1.125 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@](F)(CO)C1 ZINC000338593373 444762160 /nfs/dbraw/zinc/76/21/60/444762160.db2.gz KWESXRQOUKAJHL-OAHLLOKOSA-N 1 1 325.340 1.638 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@](F)(CO)C1 ZINC000338623975 444779197 /nfs/dbraw/zinc/77/91/97/444779197.db2.gz JAPUWJWXRQSQOG-OAHLLOKOSA-N 1 1 339.323 1.299 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@](F)(CO)C1 ZINC000338623975 444779198 /nfs/dbraw/zinc/77/91/98/444779198.db2.gz JAPUWJWXRQSQOG-OAHLLOKOSA-N 1 1 339.323 1.299 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000344098322 444780158 /nfs/dbraw/zinc/78/01/58/444780158.db2.gz YLPATFYCAHDLTB-TUKIKUTGSA-N 1 1 340.401 1.071 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000344098322 444780163 /nfs/dbraw/zinc/78/01/63/444780163.db2.gz YLPATFYCAHDLTB-TUKIKUTGSA-N 1 1 340.401 1.071 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000338628176 444782024 /nfs/dbraw/zinc/78/20/24/444782024.db2.gz UJEFFZLOLAEDFD-HNNXBMFYSA-N 1 1 341.339 1.338 20 5 EDBDMO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344160080 444814006 /nfs/dbraw/zinc/81/40/06/444814006.db2.gz XFYWCVCXJYQFPO-OLZOCXBDSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H]1C[C@@H](CO)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344160080 444814011 /nfs/dbraw/zinc/81/40/11/444814011.db2.gz XFYWCVCXJYQFPO-OLZOCXBDSA-N 1 1 333.388 1.577 20 5 EDBDMO COC(=O)c1cc(C)nc(NCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000341544160 444885441 /nfs/dbraw/zinc/88/54/41/444885441.db2.gz GWUGGECTDYIZGY-GFCCVEGCSA-N 1 1 336.392 2.371 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000344435496 444968822 /nfs/dbraw/zinc/96/88/22/444968822.db2.gz WLYAMNRZXPCMOT-YPMHNXCESA-N 1 1 334.376 1.441 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339027885 444995489 /nfs/dbraw/zinc/99/54/89/444995489.db2.gz RNFBGHCARJGBPF-GFCCVEGCSA-N 1 1 349.391 1.304 20 5 EDBDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339043404 445004721 /nfs/dbraw/zinc/00/47/21/445004721.db2.gz FWOHADSENHWQSW-KBRIMQKVSA-N 1 1 335.404 1.984 20 5 EDBDMO CCc1ccc(C(=O)N(C)C[C@H]2C[C@H](OC)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000344498684 445014445 /nfs/dbraw/zinc/01/44/45/445014445.db2.gz PILABRCUQNBDPO-CABCVRRESA-N 1 1 335.404 1.948 20 5 EDBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000343149621 445098282 /nfs/dbraw/zinc/09/82/82/445098282.db2.gz HYTVQZVOUDJIFC-WCQYABFASA-N 1 1 329.360 1.883 20 5 EDBDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343149621 445098284 /nfs/dbraw/zinc/09/82/84/445098284.db2.gz HYTVQZVOUDJIFC-WCQYABFASA-N 1 1 329.360 1.883 20 5 EDBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343149621 445098288 /nfs/dbraw/zinc/09/82/88/445098288.db2.gz HYTVQZVOUDJIFC-WCQYABFASA-N 1 1 329.360 1.883 20 5 EDBDMO CO[C@H]1C[C@@H](CO)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000344675962 445121533 /nfs/dbraw/zinc/12/15/33/445121533.db2.gz LLGWSZRVOBMNJR-GJZGRUSLSA-N 1 1 333.344 1.831 20 5 EDBDMO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000344675962 445121537 /nfs/dbraw/zinc/12/15/37/445121537.db2.gz LLGWSZRVOBMNJR-GJZGRUSLSA-N 1 1 333.344 1.831 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000343227983 445150372 /nfs/dbraw/zinc/15/03/72/445150372.db2.gz UIYHCCQOXIUFDM-ZDUSSCGKSA-N 1 1 339.417 1.657 20 5 EDBDMO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000330815079 445151614 /nfs/dbraw/zinc/15/16/14/445151614.db2.gz LYHIIGWYOUSCOR-QWHCGFSZSA-N 1 1 341.433 1.839 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000330815079 445151616 /nfs/dbraw/zinc/15/16/16/445151616.db2.gz LYHIIGWYOUSCOR-QWHCGFSZSA-N 1 1 341.433 1.839 20 5 EDBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000345772577 445199185 /nfs/dbraw/zinc/19/91/85/445199185.db2.gz HFVGFOQSAHXTKK-LBPRGKRZSA-N 1 1 338.412 1.038 20 5 EDBDMO C[N@@H+](CCO)C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347461153 445239024 /nfs/dbraw/zinc/23/90/24/445239024.db2.gz HUTOESRMVFLBBD-UHFFFAOYSA-N 1 1 331.376 1.431 20 5 EDBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000348299999 445247694 /nfs/dbraw/zinc/24/76/94/445247694.db2.gz HXALKZPEEIMMLT-GFCCVEGCSA-N 1 1 325.390 1.452 20 5 EDBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000348299999 445247699 /nfs/dbraw/zinc/24/76/99/445247699.db2.gz HXALKZPEEIMMLT-GFCCVEGCSA-N 1 1 325.390 1.452 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000348216640 445319620 /nfs/dbraw/zinc/31/96/20/445319620.db2.gz PAQAGDLNSBAZEH-CQSZACIVSA-N 1 1 348.403 1.710 20 5 EDBDMO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000354509839 445271033 /nfs/dbraw/zinc/27/10/33/445271033.db2.gz NMHPPRAWYQINFE-SNVBAGLBSA-N 1 1 347.824 1.963 20 5 EDBDMO C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000354509839 445271035 /nfs/dbraw/zinc/27/10/35/445271035.db2.gz NMHPPRAWYQINFE-SNVBAGLBSA-N 1 1 347.824 1.963 20 5 EDBDMO CN(C)S(=O)(=O)c1ccc(NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000357153016 445457202 /nfs/dbraw/zinc/45/72/02/445457202.db2.gz UUZYAHRUCRYSMA-NSHDSACASA-N 1 1 342.421 1.209 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000352397258 445525558 /nfs/dbraw/zinc/52/55/58/445525558.db2.gz IVYYMKPIGSBJDR-UHFFFAOYSA-N 1 1 345.359 1.842 20 5 EDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000362818854 445564581 /nfs/dbraw/zinc/56/45/81/445564581.db2.gz WNIBAQAVGOODDD-DYEKYZERSA-N 1 1 333.392 1.200 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362842944 445577228 /nfs/dbraw/zinc/57/72/28/445577228.db2.gz MZNUNASPPBITKU-UHFFFAOYSA-N 1 1 345.346 1.500 20 5 EDBDMO CCOCC[N@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@H]1CC ZINC000355939998 445537729 /nfs/dbraw/zinc/53/77/29/445537729.db2.gz YMBMFDWKTNOMNS-CYBMUJFWSA-N 1 1 325.413 1.261 20 5 EDBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@@H](O)C[C@@H]3CO)o2)c([N+](=O)[O-])c1 ZINC000350257247 445802214 /nfs/dbraw/zinc/80/22/14/445802214.db2.gz AOAIDZKYXFJUMU-NEPJUHHUSA-N 1 1 348.355 1.791 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000353896264 445803386 /nfs/dbraw/zinc/80/33/86/445803386.db2.gz AVTVLXVAZRFWEK-LBPRGKRZSA-N 1 1 336.392 1.688 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000353896264 445803391 /nfs/dbraw/zinc/80/33/91/445803391.db2.gz AVTVLXVAZRFWEK-LBPRGKRZSA-N 1 1 336.392 1.688 20 5 EDBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc1 ZINC000363887235 445881802 /nfs/dbraw/zinc/88/18/02/445881802.db2.gz SYRZWKOAFWDOQB-CQSZACIVSA-N 1 1 328.376 2.104 20 5 EDBDMO CC[N@@H+]1CCO[C@H](CN2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)C1 ZINC000364635247 445940494 /nfs/dbraw/zinc/94/04/94/445940494.db2.gz LFSJWGACBPWYTN-INIZCTEOSA-N 1 1 348.447 1.746 20 5 EDBDMO CC[N@H+]1CCO[C@H](CN2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)C1 ZINC000364635247 445940497 /nfs/dbraw/zinc/94/04/97/445940497.db2.gz LFSJWGACBPWYTN-INIZCTEOSA-N 1 1 348.447 1.746 20 5 EDBDMO CCN1CCO[C@H](C[NH+]2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)C1 ZINC000364635247 445940499 /nfs/dbraw/zinc/94/04/99/445940499.db2.gz LFSJWGACBPWYTN-INIZCTEOSA-N 1 1 348.447 1.746 20 5 EDBDMO O=C(NC1CC1)c1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000364882456 445965149 /nfs/dbraw/zinc/96/51/49/445965149.db2.gz MEEXCUQZRKQUPQ-AWEZNQCLSA-N 1 1 346.387 1.008 20 5 EDBDMO O=C(NC1CC1)c1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000364882456 445965157 /nfs/dbraw/zinc/96/51/57/445965157.db2.gz MEEXCUQZRKQUPQ-AWEZNQCLSA-N 1 1 346.387 1.008 20 5 EDBDMO Cc1cc(Sc2nnnn2C[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000356782958 446014702 /nfs/dbraw/zinc/01/47/02/446014702.db2.gz SUJKEBZGHUJBHM-NSHDSACASA-N 1 1 334.405 1.993 20 5 EDBDMO CCc1ccc(S(=O)(=O)NCC[N@H+](CC)C2CC2)cc1[N+](=O)[O-] ZINC000584229072 326223956 /nfs/dbraw/zinc/22/39/56/326223956.db2.gz FPMWLJZUJJQICL-UHFFFAOYSA-N 1 1 341.433 1.920 20 5 EDBDMO CCOc1cc(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366315110 446144538 /nfs/dbraw/zinc/14/45/38/446144538.db2.gz RRULDUIWUPUGPT-VXGBXAGGSA-N 1 1 333.344 1.088 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000365326760 446149952 /nfs/dbraw/zinc/14/99/52/446149952.db2.gz LHBQKNKRWMAODG-AWEZNQCLSA-N 1 1 332.404 1.447 20 5 EDBDMO O=C(CC[NH+]1CCN([C@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000366515729 446244988 /nfs/dbraw/zinc/24/49/88/446244988.db2.gz PQFGTCTYPJQXIW-AWEZNQCLSA-N 1 1 348.403 1.330 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366471654 446228456 /nfs/dbraw/zinc/22/84/56/446228456.db2.gz BQQOJXLXNMLJMP-INIZCTEOSA-N 1 1 333.388 1.461 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365548464 446250263 /nfs/dbraw/zinc/25/02/63/446250263.db2.gz FNDHASDLKZPROO-RRFJBIMHSA-N 1 1 347.419 1.433 20 5 EDBDMO Nc1c(C(=O)NCc2c[nH+]c3n2CCCC3)cc(F)cc1[N+](=O)[O-] ZINC000370543199 446325318 /nfs/dbraw/zinc/32/53/18/446325318.db2.gz GFINSOZBTFVCJH-UHFFFAOYSA-N 1 1 333.323 1.779 20 5 EDBDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1nc3ccc([N+](=O)[O-])cc3c(=O)[nH]1)C2 ZINC000376225894 446389756 /nfs/dbraw/zinc/38/97/56/446389756.db2.gz FGEINRRRFXVOPY-SNVBAGLBSA-N 1 1 340.343 2.175 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000374831167 446410832 /nfs/dbraw/zinc/41/08/32/446410832.db2.gz WXTOVCFWYLSIED-TZMCWYRMSA-N 1 1 349.387 1.587 20 5 EDBDMO Cn1cc([C@@H]2[C@@H](CNc3ncc([N+](=O)[O-])s3)CCC[N@@H+]2C)cn1 ZINC000367147768 446514647 /nfs/dbraw/zinc/51/46/47/446514647.db2.gz VAKOJTZKFNTAPX-MFKMUULPSA-N 1 1 336.421 2.280 20 5 EDBDMO Cn1cc([C@@H]2[C@@H](CNc3ncc([N+](=O)[O-])s3)CCC[N@H+]2C)cn1 ZINC000367147768 446514651 /nfs/dbraw/zinc/51/46/51/446514651.db2.gz VAKOJTZKFNTAPX-MFKMUULPSA-N 1 1 336.421 2.280 20 5 EDBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]C[C@@H]1O ZINC000423406463 446522248 /nfs/dbraw/zinc/52/22/48/446522248.db2.gz KYAPNQVKQWUKNB-BZPMIXESSA-N 1 1 325.434 1.635 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCC1 ZINC000411406531 446523800 /nfs/dbraw/zinc/52/38/00/446523800.db2.gz JHNOKAYGSSSSNW-UHFFFAOYSA-N 1 1 334.376 1.653 20 5 EDBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000371084294 446617757 /nfs/dbraw/zinc/61/77/57/446617757.db2.gz CQEIMUOXNYWZJW-OAHLLOKOSA-N 1 1 344.375 1.277 20 5 EDBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000371084294 446617765 /nfs/dbraw/zinc/61/77/65/446617765.db2.gz CQEIMUOXNYWZJW-OAHLLOKOSA-N 1 1 344.375 1.277 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000433774667 446598639 /nfs/dbraw/zinc/59/86/39/446598639.db2.gz PIHDTIFKEZDWTR-LLVKDONJSA-N 1 1 339.396 1.282 20 5 EDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+]2CCc2ccccc2)nc1 ZINC000368187269 446694181 /nfs/dbraw/zinc/69/41/81/446694181.db2.gz DYMONINJQVUNQN-HNNXBMFYSA-N 1 1 327.388 2.504 20 5 EDBDMO COC(=O)[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CC[N@@H+](C)C1 ZINC000411909614 446719384 /nfs/dbraw/zinc/71/93/84/446719384.db2.gz RJSRWEZJBBPUJI-CYBMUJFWSA-N 1 1 337.376 1.140 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411940861 446751404 /nfs/dbraw/zinc/75/14/04/446751404.db2.gz KVDCONYBYQDQES-NEPJUHHUSA-N 1 1 334.376 1.332 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000368318750 446783210 /nfs/dbraw/zinc/78/32/10/446783210.db2.gz UDLPHULABJHCAK-HNNXBMFYSA-N 1 1 339.417 1.452 20 5 EDBDMO COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000412063970 446824899 /nfs/dbraw/zinc/82/48/99/446824899.db2.gz CMCBKELYYQKSNI-LBPRGKRZSA-N 1 1 340.401 1.941 20 5 EDBDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000412063970 446824908 /nfs/dbraw/zinc/82/49/08/446824908.db2.gz CMCBKELYYQKSNI-LBPRGKRZSA-N 1 1 340.401 1.941 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1F ZINC000412142559 446877942 /nfs/dbraw/zinc/87/79/42/446877942.db2.gz YBQLGVJEDIJWJK-WDEREUQCSA-N 1 1 339.367 1.884 20 5 EDBDMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000368670262 447020276 /nfs/dbraw/zinc/02/02/76/447020276.db2.gz DFMVNXNZMXXMBD-OAHLLOKOSA-N 1 1 331.376 1.993 20 5 EDBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000443310166 447030985 /nfs/dbraw/zinc/03/09/85/447030985.db2.gz ODXKHTHSBDIFEG-NYTXWWLZSA-N 1 1 338.404 1.816 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375831074 447087564 /nfs/dbraw/zinc/08/75/64/447087564.db2.gz MIDAXZPHKRTLJH-HOCLYGCPSA-N 1 1 332.404 1.873 20 5 EDBDMO CCOc1cc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419325739 447092105 /nfs/dbraw/zinc/09/21/05/447092105.db2.gz BGYVRYZHPUJHMQ-KBPBESRZSA-N 1 1 337.420 1.880 20 5 EDBDMO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C[N@H+]1CCO ZINC000419328002 447095628 /nfs/dbraw/zinc/09/56/28/447095628.db2.gz DHFOXXBGPRMGFO-NEPJUHHUSA-N 1 1 333.392 1.358 20 5 EDBDMO CC(C)(O)C[N@H+]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372556968 447137637 /nfs/dbraw/zinc/13/76/37/447137637.db2.gz YPBLNGOKAQQQFP-UHFFFAOYSA-N 1 1 337.420 1.752 20 5 EDBDMO COCCCC[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000419383898 447142208 /nfs/dbraw/zinc/14/22/08/447142208.db2.gz LOFGDDJQBFIAFN-UHFFFAOYSA-N 1 1 325.365 1.900 20 5 EDBDMO O=[N+]([O-])c1ccn(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000425500818 447195283 /nfs/dbraw/zinc/19/52/83/447195283.db2.gz MSVWCEUJBWBGOS-DLBZAZTESA-N 1 1 341.415 1.998 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000421770290 447246404 /nfs/dbraw/zinc/24/64/04/447246404.db2.gz UKROQJUIXATWGF-UHFFFAOYSA-N 1 1 335.404 1.740 20 5 EDBDMO COc1cc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1OC ZINC000421703104 447224444 /nfs/dbraw/zinc/22/44/44/447224444.db2.gz LNEYAMSXIJHLPI-GFCCVEGCSA-N 1 1 337.376 1.778 20 5 EDBDMO COC(=O)c1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc(C)c1[N+](=O)[O-] ZINC000450797784 447580902 /nfs/dbraw/zinc/58/09/02/447580902.db2.gz XLMSTJWMXWTIFT-OKILXGFUSA-N 1 1 349.387 1.965 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000416292123 447557506 /nfs/dbraw/zinc/55/75/06/447557506.db2.gz IJEBDINOYRSROX-RYUDHWBXSA-N 1 1 346.387 1.603 20 5 EDBDMO COC(=O)c1cc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000458188178 447740210 /nfs/dbraw/zinc/74/02/10/447740210.db2.gz LZDOAQGBSPKSMF-GFCCVEGCSA-N 1 1 349.387 1.843 20 5 EDBDMO C[C@@H]1[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000576728631 448127906 /nfs/dbraw/zinc/12/79/06/448127906.db2.gz PVWAPLWPVLRKSY-BXUZGUMPSA-N 1 1 329.360 1.711 20 5 EDBDMO COc1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000532347959 448242126 /nfs/dbraw/zinc/24/21/26/448242126.db2.gz VGQSICQMOURPQL-LLVKDONJSA-N 1 1 343.405 1.224 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CCC[C@]23CCNC3=O)c([N+](=O)[O-])c1 ZINC000583092138 448422773 /nfs/dbraw/zinc/42/27/73/448422773.db2.gz GUUMWERXQHCLJR-MRXNPFEDSA-N 1 1 335.360 1.337 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC[C@]23CCNC3=O)c([N+](=O)[O-])c1 ZINC000583092138 448422778 /nfs/dbraw/zinc/42/27/78/448422778.db2.gz GUUMWERXQHCLJR-MRXNPFEDSA-N 1 1 335.360 1.337 20 5 EDBDMO O=C(CC[NH2+]Cc1nnnn1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000591746398 448479808 /nfs/dbraw/zinc/47/98/08/448479808.db2.gz JCKDEFLUKGMRHJ-UHFFFAOYSA-N 1 1 331.336 1.035 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000573385256 448614210 /nfs/dbraw/zinc/61/42/10/448614210.db2.gz SQGYLKADNIRZGS-WCQYABFASA-N 1 1 335.408 1.834 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000573474032 448637965 /nfs/dbraw/zinc/63/79/65/448637965.db2.gz DIGHQFRHVMAONR-CYBMUJFWSA-N 1 1 349.387 1.461 20 5 EDBDMO CCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@@H+](C)C1 ZINC000592300644 448779921 /nfs/dbraw/zinc/77/99/21/448779921.db2.gz UTCUXIJDBPVXCU-ZDUSSCGKSA-N 1 1 348.403 1.784 20 5 EDBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000547785137 448927881 /nfs/dbraw/zinc/92/78/81/448927881.db2.gz LQYSOEIGSRDYLY-UHFFFAOYSA-N 1 1 335.408 1.136 20 5 EDBDMO C[C@@]1(C2CC2)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595616806 449082339 /nfs/dbraw/zinc/08/23/39/449082339.db2.gz CWYWSJVAAWZEAR-WBVHZDCISA-N 1 1 336.388 1.835 20 5 EDBDMO C[C@@]1(C2CC2)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595616806 449082346 /nfs/dbraw/zinc/08/23/46/449082346.db2.gz CWYWSJVAAWZEAR-WBVHZDCISA-N 1 1 336.388 1.835 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597859613 449126576 /nfs/dbraw/zinc/12/65/76/449126576.db2.gz WGMZUDKKPMBVOJ-NSHDSACASA-N 1 1 335.360 1.926 20 5 EDBDMO C[N@@H+](CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])Cc1ccccc1 ZINC000548714188 449087038 /nfs/dbraw/zinc/08/70/38/449087038.db2.gz LQAOOKXHSJHDNX-UHFFFAOYSA-N 1 1 329.360 1.434 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000590047137 449100460 /nfs/dbraw/zinc/10/04/60/449100460.db2.gz UHDYXPKDQMTQCS-JQWIXIFHSA-N 1 1 341.314 1.972 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595760946 449152841 /nfs/dbraw/zinc/15/28/41/449152841.db2.gz VPOVBEFUKCZSSG-YVEFUNNKSA-N 1 1 349.387 1.900 20 5 EDBDMO CCN(C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597944977 449154571 /nfs/dbraw/zinc/15/45/71/449154571.db2.gz FRIWYDODASOIEB-IUODEOHRSA-N 1 1 348.403 1.266 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000590442335 449163269 /nfs/dbraw/zinc/16/32/69/449163269.db2.gz FMOSZNOYPALVDQ-BBRMVZONSA-N 1 1 341.371 1.557 20 5 EDBDMO CC[N@H+]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611087832 449164195 /nfs/dbraw/zinc/16/41/95/449164195.db2.gz MYGKPLMKPGXQEX-QWHCGFSZSA-N 1 1 348.403 1.266 20 5 EDBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](CCCF)CC1 ZINC000600072293 449171959 /nfs/dbraw/zinc/17/19/59/449171959.db2.gz QJPZZTGYFMUUFS-UHFFFAOYSA-N 1 1 335.339 1.589 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000597925457 449145011 /nfs/dbraw/zinc/14/50/11/449145011.db2.gz VNHXSADNDFYBBF-NSHDSACASA-N 1 1 335.360 1.926 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000590401462 449148557 /nfs/dbraw/zinc/14/85/57/449148557.db2.gz KQSULCAKHOECBP-MNOVXSKESA-N 1 1 325.390 1.592 20 5 EDBDMO C[C@H]1C[N@H+](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000597996055 449180928 /nfs/dbraw/zinc/18/09/28/449180928.db2.gz HXSJECHLHFQETN-KBPBESRZSA-N 1 1 335.404 1.753 20 5 EDBDMO C[C@H]1C[N@@H+](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000597996055 449180931 /nfs/dbraw/zinc/18/09/31/449180931.db2.gz HXSJECHLHFQETN-KBPBESRZSA-N 1 1 335.404 1.753 20 5 EDBDMO COC(=O)[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000595848198 449205543 /nfs/dbraw/zinc/20/55/43/449205543.db2.gz FIGHVKPEFLBBBG-BJHJDKERSA-N 1 1 335.360 1.725 20 5 EDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000595848198 449205548 /nfs/dbraw/zinc/20/55/48/449205548.db2.gz FIGHVKPEFLBBBG-BJHJDKERSA-N 1 1 335.360 1.725 20 5 EDBDMO Cc1nc(C)c(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000600146782 449214485 /nfs/dbraw/zinc/21/44/85/449214485.db2.gz YXPGFCGIIGPYHH-UHFFFAOYSA-N 1 1 339.373 1.763 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000590539234 449182076 /nfs/dbraw/zinc/18/20/76/449182076.db2.gz XHGPUSJLMUCZBA-CQSZACIVSA-N 1 1 334.420 1.974 20 5 EDBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000590555676 449189134 /nfs/dbraw/zinc/18/91/34/449189134.db2.gz UACLIZVSCLSYST-GFCCVEGCSA-N 1 1 348.403 1.502 20 5 EDBDMO C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604227424 449195305 /nfs/dbraw/zinc/19/53/05/449195305.db2.gz ABAKIFANDYXKFE-VIFPVBQESA-N 1 1 340.767 1.397 20 5 EDBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600228975 449254717 /nfs/dbraw/zinc/25/47/17/449254717.db2.gz IRZAELYCGZAETC-ZDUSSCGKSA-N 1 1 334.376 1.832 20 5 EDBDMO Cc1cc(N2CC[N@H+](C)C[C@H]2CO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601979689 449260338 /nfs/dbraw/zinc/26/03/38/449260338.db2.gz LAHVVZFXKNFRQT-HNNXBMFYSA-N 1 1 343.387 1.473 20 5 EDBDMO C[C@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000593315547 449223970 /nfs/dbraw/zinc/22/39/70/449223970.db2.gz ZVDQGTYZRGLJHC-XHDPSFHLSA-N 1 1 334.376 1.116 20 5 EDBDMO C[C@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000593315547 449223972 /nfs/dbraw/zinc/22/39/72/449223972.db2.gz ZVDQGTYZRGLJHC-XHDPSFHLSA-N 1 1 334.376 1.116 20 5 EDBDMO Nc1nccc(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598217717 449296395 /nfs/dbraw/zinc/29/63/95/449296395.db2.gz AFMQFXQBLUNJPV-LLVKDONJSA-N 1 1 333.392 1.709 20 5 EDBDMO O=[N+]([O-])c1cc(Br)ccc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593506749 449315261 /nfs/dbraw/zinc/31/52/61/449315261.db2.gz ASLKHPDCSNXPOU-LLVKDONJSA-N 1 1 342.193 1.613 20 5 EDBDMO O=[N+]([O-])c1cc(Br)ccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593506749 449315264 /nfs/dbraw/zinc/31/52/64/449315264.db2.gz ASLKHPDCSNXPOU-LLVKDONJSA-N 1 1 342.193 1.613 20 5 EDBDMO CNc1ccc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)cc1[N+](=O)[O-] ZINC000611515609 449316970 /nfs/dbraw/zinc/31/69/70/449316970.db2.gz CDIYQLAFOBLXJP-UHFFFAOYSA-N 1 1 336.392 1.165 20 5 EDBDMO Nc1cc(N2CC[NH+](Cc3cccnc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525497 449321568 /nfs/dbraw/zinc/32/15/68/449321568.db2.gz WXTIOFZIHWOOJL-UHFFFAOYSA-N 1 1 343.387 1.387 20 5 EDBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593550935 449341761 /nfs/dbraw/zinc/34/17/61/449341761.db2.gz OFLGRAFISLDUNZ-UHFFFAOYSA-N 1 1 339.377 1.253 20 5 EDBDMO Cn1cnnc1N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594022326 449328742 /nfs/dbraw/zinc/32/87/42/449328742.db2.gz FMFDWTSPHPPILB-UHFFFAOYSA-N 1 1 346.391 1.314 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCNc2c(Cl)cncc2[N+](=O)[O-])CCCO1 ZINC000596207351 449413817 /nfs/dbraw/zinc/41/38/17/449413817.db2.gz DHEQMRIALHFLPY-LLVKDONJSA-N 1 1 328.800 1.978 20 5 EDBDMO CC(C)(C)c1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600535157 449428850 /nfs/dbraw/zinc/42/88/50/449428850.db2.gz WQFNAIBSBIALDH-CYBMUJFWSA-N 1 1 335.404 1.689 20 5 EDBDMO COC(=O)[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600536945 449430312 /nfs/dbraw/zinc/43/03/12/449430312.db2.gz LYYNVZUHVDVVIX-ZBEGNZNMSA-N 1 1 335.360 1.051 20 5 EDBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000596297756 449461837 /nfs/dbraw/zinc/46/18/37/449461837.db2.gz HNALQDREXDBOKU-SDDRHHMPSA-N 1 1 336.392 1.603 20 5 EDBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000596297756 449461841 /nfs/dbraw/zinc/46/18/41/449461841.db2.gz HNALQDREXDBOKU-SDDRHHMPSA-N 1 1 336.392 1.603 20 5 EDBDMO Cc1nc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596422160 449494187 /nfs/dbraw/zinc/49/41/87/449494187.db2.gz BNWPFWPWYICHAW-INIZCTEOSA-N 1 1 342.399 2.477 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000594484811 449549478 /nfs/dbraw/zinc/54/94/78/449549478.db2.gz VBHVOZSOJDKLML-LSDHHAIUSA-N 1 1 339.417 1.890 20 5 EDBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596454910 449511031 /nfs/dbraw/zinc/51/10/31/449511031.db2.gz XUDKPPIMEOGZGS-OAHLLOKOSA-N 1 1 344.371 1.420 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000598645719 449516264 /nfs/dbraw/zinc/51/62/64/449516264.db2.gz GMRBTKHFZQMUSZ-OLZOCXBDSA-N 1 1 349.387 1.843 20 5 EDBDMO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCC1 ZINC000600816244 449560578 /nfs/dbraw/zinc/56/05/78/449560578.db2.gz MBIBQGZBIBBQIQ-UHFFFAOYSA-N 1 1 333.392 1.123 20 5 EDBDMO Cc1cc(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596825772 449671248 /nfs/dbraw/zinc/67/12/48/449671248.db2.gz ZAXYNRAHOCAIRQ-HNNXBMFYSA-N 1 1 348.403 1.966 20 5 EDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598901510 449638010 /nfs/dbraw/zinc/63/80/10/449638010.db2.gz GRDUJUAOAULCEK-NWDGAFQWSA-N 1 1 349.391 1.267 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CC2C[NH+](C)C2)c1 ZINC000594847952 449756413 /nfs/dbraw/zinc/75/64/13/449756413.db2.gz YIFWKNXHBQIMFC-UHFFFAOYSA-N 1 1 327.406 1.394 20 5 EDBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000601240209 449768570 /nfs/dbraw/zinc/76/85/70/449768570.db2.gz WFPYSUICSSURRM-GFCCVEGCSA-N 1 1 337.351 1.528 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000601244052 449770659 /nfs/dbraw/zinc/77/06/59/449770659.db2.gz KYXNMKKLIUSUKS-WDEREUQCSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000601244052 449770664 /nfs/dbraw/zinc/77/06/64/449770664.db2.gz KYXNMKKLIUSUKS-WDEREUQCSA-N 1 1 325.340 1.261 20 5 EDBDMO CC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCN1CC(F)F ZINC000602796599 449816536 /nfs/dbraw/zinc/81/65/36/449816536.db2.gz DENIOTSXPIZWIU-GFCCVEGCSA-N 1 1 331.367 1.761 20 5 EDBDMO CC[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CCN1CC(F)F ZINC000602796599 449816545 /nfs/dbraw/zinc/81/65/45/449816545.db2.gz DENIOTSXPIZWIU-GFCCVEGCSA-N 1 1 331.367 1.761 20 5 EDBDMO C[C@H](C(=O)N1CC[NH+](C(C)(C)CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617754710 449818069 /nfs/dbraw/zinc/81/80/69/449818069.db2.gz NFJPFFONCISDCV-ZDUSSCGKSA-N 1 1 335.404 1.613 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000601337494 449846371 /nfs/dbraw/zinc/84/63/71/449846371.db2.gz BAZMGUARMHSPSO-UHFFFAOYSA-N 1 1 345.396 1.759 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000601337494 449846376 /nfs/dbraw/zinc/84/63/76/449846376.db2.gz BAZMGUARMHSPSO-UHFFFAOYSA-N 1 1 345.396 1.759 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000602887620 449894280 /nfs/dbraw/zinc/89/42/80/449894280.db2.gz IRCNSWSGJKHFTR-BFHYXJOUSA-N 1 1 336.392 1.882 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000601419189 449936535 /nfs/dbraw/zinc/93/65/35/449936535.db2.gz FPAOZSVFCSJGIE-GWCFXTLKSA-N 1 1 343.380 1.367 20 5 EDBDMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602941215 449944069 /nfs/dbraw/zinc/94/40/69/449944069.db2.gz HHQJUQPFOAJNRA-MRXNPFEDSA-N 1 1 343.387 1.723 20 5 EDBDMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602941215 449944072 /nfs/dbraw/zinc/94/40/72/449944072.db2.gz HHQJUQPFOAJNRA-MRXNPFEDSA-N 1 1 343.387 1.723 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000602902425 449908311 /nfs/dbraw/zinc/90/83/11/449908311.db2.gz LRPVYCZDRJDBEG-UHFFFAOYSA-N 1 1 332.408 1.918 20 5 EDBDMO CN(CC(F)(F)F)C(=O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965515 449967179 /nfs/dbraw/zinc/96/71/79/449967179.db2.gz HPDXUAIYEUUFGA-CYBMUJFWSA-N 1 1 349.309 1.413 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609387992 450024444 /nfs/dbraw/zinc/02/44/44/450024444.db2.gz WHEGENCUJVLJOZ-CYBMUJFWSA-N 1 1 339.417 1.666 20 5 EDBDMO CC1(C)[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000603116039 450078248 /nfs/dbraw/zinc/07/82/48/450078248.db2.gz MUMAOCCAPUQGGA-CVEARBPZSA-N 1 1 347.415 1.753 20 5 EDBDMO O=C(C[N@H+]1CCC[C@H](CCO)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610213895 450154383 /nfs/dbraw/zinc/15/43/83/450154383.db2.gz YYIFSERJXGXSBI-CYBMUJFWSA-N 1 1 333.388 1.578 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@H](CCO)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610213895 450154388 /nfs/dbraw/zinc/15/43/88/450154388.db2.gz YYIFSERJXGXSBI-CYBMUJFWSA-N 1 1 333.388 1.578 20 5 EDBDMO COC[C@H](C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)OC ZINC000595505723 450192381 /nfs/dbraw/zinc/19/23/81/450192381.db2.gz VAUFYPBNGGJRPG-ZDUSSCGKSA-N 1 1 337.376 1.014 20 5 EDBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CC(C[NH+]2CCOCC2)C1 ZINC000597682025 450193325 /nfs/dbraw/zinc/19/33/25/450193325.db2.gz LCXPAFWOCGUBHQ-UHFFFAOYSA-N 1 1 344.371 1.480 20 5 EDBDMO O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618868808 450324778 /nfs/dbraw/zinc/32/47/78/450324778.db2.gz AHEHBKLDNLXLKM-AWEZNQCLSA-N 1 1 333.392 1.582 20 5 EDBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000619476660 450484945 /nfs/dbraw/zinc/48/49/45/450484945.db2.gz XIHGNHXJXMFOFE-UHFFFAOYSA-N 1 1 343.405 1.368 20 5 EDBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000619481598 450485333 /nfs/dbraw/zinc/48/53/33/450485333.db2.gz KNJLJDOJCPDZQF-SNVBAGLBSA-N 1 1 343.405 1.364 20 5 EDBDMO Cc1c(C(=O)N(C)CC[N@@H+](C)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000186773856 533734759 /nfs/dbraw/zinc/73/47/59/533734759.db2.gz ZKJLNECVVFHWIH-UHFFFAOYSA-N 1 1 336.348 1.978 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000153491115 534077998 /nfs/dbraw/zinc/07/79/98/534077998.db2.gz LVTUFRNWEXPRMG-INIZCTEOSA-N 1 1 335.360 1.654 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000153491115 534078005 /nfs/dbraw/zinc/07/80/05/534078005.db2.gz LVTUFRNWEXPRMG-INIZCTEOSA-N 1 1 335.360 1.654 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000174019891 527838871 /nfs/dbraw/zinc/83/88/71/527838871.db2.gz WEDROTGKOWYKOF-GFCCVEGCSA-N 1 1 327.406 1.557 20 5 EDBDMO CC[N@@H+](C)[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000129974173 527864814 /nfs/dbraw/zinc/86/48/14/527864814.db2.gz SYBPPFLUOZJZDY-HNNXBMFYSA-N 1 1 331.376 1.601 20 5 EDBDMO CC[N@@H+](CCC(=O)OC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271117699 535711065 /nfs/dbraw/zinc/71/10/65/535711065.db2.gz FMUWJZGOUYBCOD-UHFFFAOYSA-N 1 1 326.349 1.997 20 5 EDBDMO CC[N@H+](CCOC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000347356871 535747687 /nfs/dbraw/zinc/74/76/87/535747687.db2.gz TZKZQHPKOBIMGC-UHFFFAOYSA-N 1 1 325.321 1.230 20 5 EDBDMO CC[N@@H+](CCOC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000347356871 535747694 /nfs/dbraw/zinc/74/76/94/535747694.db2.gz TZKZQHPKOBIMGC-UHFFFAOYSA-N 1 1 325.321 1.230 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)CC[C@H]21 ZINC000245517120 536379412 /nfs/dbraw/zinc/37/94/12/536379412.db2.gz GNQUZJZTTJQFKU-DGCLKSJQSA-N 1 1 347.371 1.880 20 5 EDBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000732227179 578699787 /nfs/dbraw/zinc/69/97/87/578699787.db2.gz YDEMMINZOPDHSG-NSHDSACASA-N 1 1 343.380 1.591 20 5 EDBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000732227179 578699789 /nfs/dbraw/zinc/69/97/89/578699789.db2.gz YDEMMINZOPDHSG-NSHDSACASA-N 1 1 343.380 1.591 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749799288 579740127 /nfs/dbraw/zinc/74/01/27/579740127.db2.gz WFDVEZVSHXOMRG-STQMWFEESA-N 1 1 331.376 1.964 20 5 EDBDMO Nc1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000751383924 579803903 /nfs/dbraw/zinc/80/39/03/579803903.db2.gz KWYAWDJIUBESFX-CQSZACIVSA-N 1 1 348.403 1.504 20 5 EDBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000753094914 579872460 /nfs/dbraw/zinc/87/24/60/579872460.db2.gz 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O=C1N(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000853588991 595817540 /nfs/dbraw/zinc/81/75/40/595817540.db2.gz HFONMZUQFHVLAN-ZIAGYGMSSA-N 1 1 346.387 1.763 20 5 EDBDMO O=C1N(C[N@H+]2CC[C@@H]3COC[C@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000853588991 595817542 /nfs/dbraw/zinc/81/75/42/595817542.db2.gz HFONMZUQFHVLAN-ZIAGYGMSSA-N 1 1 346.387 1.763 20 5 EDBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)nc1-c1ccncc1 ZINC000853590568 595818304 /nfs/dbraw/zinc/81/83/04/595818304.db2.gz NCNJVCVAFFHHRM-ZIAGYGMSSA-N 1 1 329.360 1.779 20 5 EDBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@H]3COC[C@H]3C2)nc1-c1ccncc1 ZINC000853590568 595818307 /nfs/dbraw/zinc/81/83/07/595818307.db2.gz NCNJVCVAFFHHRM-ZIAGYGMSSA-N 1 1 329.360 1.779 20 5 EDBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000861863239 596128697 /nfs/dbraw/zinc/12/86/97/596128697.db2.gz NBYHUVPBQSCQIL-LLVKDONJSA-N 1 1 341.795 1.825 20 5 EDBDMO O=c1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000859890426 596216727 /nfs/dbraw/zinc/21/67/27/596216727.db2.gz UTSAOHNVNXFLQO-CABCVRRESA-N 1 1 330.344 1.961 20 5 EDBDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852698984 596229363 /nfs/dbraw/zinc/22/93/63/596229363.db2.gz VSNBJQBZMHWBCE-ZBFHGGJFSA-N 1 1 335.404 1.865 20 5 EDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000865485528 596588028 /nfs/dbraw/zinc/58/80/28/596588028.db2.gz RZJWNQZVFRMTMQ-RKDXNWHRSA-N 1 1 349.313 1.622 20 5 EDBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)S(C)(=O)=O ZINC000123801308 596717312 /nfs/dbraw/zinc/71/73/12/596717312.db2.gz FBYJBNXSWXCFCD-UHFFFAOYSA-N 1 1 330.406 1.729 20 5 EDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)S(C)(=O)=O ZINC000123801308 596717314 /nfs/dbraw/zinc/71/73/14/596717314.db2.gz FBYJBNXSWXCFCD-UHFFFAOYSA-N 1 1 330.406 1.729 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000866152942 596807364 /nfs/dbraw/zinc/80/73/64/596807364.db2.gz IOBRAKQMZHTRSD-FZMZJTMJSA-N 1 1 332.360 1.086 20 5 EDBDMO O=C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000872321240 596880903 /nfs/dbraw/zinc/88/09/03/596880903.db2.gz UHYRARLFOMCXOV-AOOOYVTPSA-N 1 1 325.752 1.765 20 5 EDBDMO O=C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000872321240 596880905 /nfs/dbraw/zinc/88/09/05/596880905.db2.gz UHYRARLFOMCXOV-AOOOYVTPSA-N 1 1 325.752 1.765 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)CC[C@H]21 ZINC000872724797 597047309 /nfs/dbraw/zinc/04/73/09/597047309.db2.gz XQFKQYPINZLJFL-NWDGAFQWSA-N 1 1 332.360 1.486 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000872726586 597048052 /nfs/dbraw/zinc/04/80/52/597048052.db2.gz SEAVJTDHNRTYJQ-HOCLYGCPSA-N 1 1 342.403 1.837 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC000874840568 597193824 /nfs/dbraw/zinc/19/38/24/597193824.db2.gz PJBCKTPXTYHYNM-KGLIPLIRSA-N 1 1 335.408 1.493 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000881805697 597730819 /nfs/dbraw/zinc/73/08/19/597730819.db2.gz PNLQPJTUJHDPTO-JTQLQIEISA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000881805697 597730822 /nfs/dbraw/zinc/73/08/22/597730822.db2.gz PNLQPJTUJHDPTO-JTQLQIEISA-N 1 1 347.824 1.929 20 5 EDBDMO CC(C)(O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879959641 597784513 /nfs/dbraw/zinc/78/45/13/597784513.db2.gz QQAROAWOEBIFFM-UKRRQHHQSA-N 1 1 338.404 1.817 20 5 EDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H](C(F)(F)F)O1 ZINC000880058477 597825334 /nfs/dbraw/zinc/82/53/34/597825334.db2.gz CJLADTQOEGOQAH-PWSUYJOCSA-N 1 1 349.309 1.798 20 5 EDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H](C(F)(F)F)O1 ZINC000880058477 597825335 /nfs/dbraw/zinc/82/53/35/597825335.db2.gz CJLADTQOEGOQAH-PWSUYJOCSA-N 1 1 349.309 1.798 20 5 EDBDMO CO[C@@H]1COCC[C@@H]1[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000880428582 597931160 /nfs/dbraw/zinc/93/11/60/597931160.db2.gz BTSKEMLZFFAPMI-LSDHHAIUSA-N 1 1 337.376 1.293 20 5 EDBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000880428582 597931163 /nfs/dbraw/zinc/93/11/63/597931163.db2.gz BTSKEMLZFFAPMI-LSDHHAIUSA-N 1 1 337.376 1.293 20 5 EDBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000916597525 696684823 /nfs/dbraw/zinc/68/48/23/696684823.db2.gz LZBQUOZHACAAMN-SNVBAGLBSA-N 1 1 341.389 1.366 20 5 EDBDMO Cc1ncncc1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001031559576 697248534 /nfs/dbraw/zinc/24/85/34/697248534.db2.gz SLFXPXKFXUHHAS-UHFFFAOYSA-N 1 1 341.371 1.555 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000919688135 697319353 /nfs/dbraw/zinc/31/93/53/697319353.db2.gz QMQPEWCYHKOBNZ-CYBMUJFWSA-N 1 1 339.367 1.821 20 5 EDBDMO CCn1nncc1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031654505 697420318 /nfs/dbraw/zinc/42/03/18/697420318.db2.gz WICPUDVBNNCKGI-UHFFFAOYSA-N 1 1 344.375 1.068 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000996429197 702783344 /nfs/dbraw/zinc/78/33/44/702783344.db2.gz LTGWDECFLKTJTJ-UKRRQHHQSA-N 1 1 339.342 1.711 20 5 EDBDMO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1cnsn1 ZINC001002400787 708913477 /nfs/dbraw/zinc/91/34/77/708913477.db2.gz HYLRSPJXQVBQQX-UHFFFAOYSA-N 1 1 347.400 1.841 20 5 EDBDMO CC[C@]1(CO)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000187616801 529424750 /nfs/dbraw/zinc/42/47/50/529424750.db2.gz HZIQFOSPXDVESW-YOEHRIQHSA-N 1 1 338.404 1.819 20 5 EDBDMO CN(CC(=O)N1CC[NH2+]C[C@@H]1C(F)F)c1ccccc1[N+](=O)[O-] ZINC000367282917 282346676 /nfs/dbraw/zinc/34/66/76/282346676.db2.gz PXIJKXCBNXPHCZ-GFCCVEGCSA-N 1 1 328.319 1.097 20 5 EDBDMO C[N@H+]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000154400106 530053663 /nfs/dbraw/zinc/05/36/63/530053663.db2.gz OURSFDAVUVHPMY-UHFFFAOYSA-N 1 1 329.360 1.558 20 5 EDBDMO Cc1nn(CCC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000102487520 219207201 /nfs/dbraw/zinc/20/72/01/219207201.db2.gz WCZXMNUEZOPTHQ-ZDUSSCGKSA-N 1 1 335.408 1.399 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000066579382 215056440 /nfs/dbraw/zinc/05/64/40/215056440.db2.gz ATIRNEWDHKVIOI-UHFFFAOYSA-N 1 1 331.369 1.450 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000066579382 215056444 /nfs/dbraw/zinc/05/64/44/215056444.db2.gz ATIRNEWDHKVIOI-UHFFFAOYSA-N 1 1 331.369 1.450 20 5 EDBDMO Cc1cc(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000184328927 235368120 /nfs/dbraw/zinc/36/81/20/235368120.db2.gz RBQKOHAUCYOOEC-CQSZACIVSA-N 1 1 334.420 1.659 20 5 EDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000184400417 235388007 /nfs/dbraw/zinc/38/80/07/235388007.db2.gz QSIHWRODWCWNMZ-CYBMUJFWSA-N 1 1 348.403 1.361 20 5 EDBDMO C[NH+]1CCN(C(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000093256571 138292847 /nfs/dbraw/zinc/29/28/47/138292847.db2.gz ZCPNOMQIXLGQPZ-UHFFFAOYSA-N 1 1 332.404 1.333 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186943746 236072941 /nfs/dbraw/zinc/07/29/41/236072941.db2.gz ROJJNGUWFCKPNX-LBPRGKRZSA-N 1 1 336.392 1.937 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[N@H+](C)C1 ZINC000413926557 304090852 /nfs/dbraw/zinc/09/08/52/304090852.db2.gz WKVDZGUUVKGEFS-SNVBAGLBSA-N 1 1 341.389 1.142 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[N@@H+](C)C1 ZINC000413926557 304090854 /nfs/dbraw/zinc/09/08/54/304090854.db2.gz WKVDZGUUVKGEFS-SNVBAGLBSA-N 1 1 341.389 1.142 20 5 EDBDMO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(N)c([N+](=O)[O-])c1 ZINC000132493680 223336569 /nfs/dbraw/zinc/33/65/69/223336569.db2.gz DEUWIVMWXHIXTQ-GFCCVEGCSA-N 1 1 336.392 1.184 20 5 EDBDMO C[NH2+]Cc1noc(-c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])n1 ZINC000414496886 304120482 /nfs/dbraw/zinc/12/04/82/304120482.db2.gz DZGJWRRYIOQGJD-UHFFFAOYSA-N 1 1 338.320 1.398 20 5 EDBDMO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000133144675 223391833 /nfs/dbraw/zinc/39/18/33/223391833.db2.gz IJLPPIJJFUCLPK-GFCCVEGCSA-N 1 1 338.383 1.347 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000110006944 220008710 /nfs/dbraw/zinc/00/87/10/220008710.db2.gz JQALXGZFCCTGGW-UHFFFAOYSA-N 1 1 344.375 1.343 20 5 EDBDMO C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000078510612 217066205 /nfs/dbraw/zinc/06/62/05/217066205.db2.gz KNISOJUZRLEVPN-AMVTZNPPSA-N 1 1 333.388 1.833 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246498293 139110865 /nfs/dbraw/zinc/11/08/65/139110865.db2.gz XQRJGEAYPQWPDB-STQMWFEESA-N 1 1 341.433 1.946 20 5 EDBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@H](C)O ZINC000246834880 139123711 /nfs/dbraw/zinc/12/37/11/139123711.db2.gz MBLOZOHPWBFNTM-RYUDHWBXSA-N 1 1 339.367 1.651 20 5 EDBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C[C@H](C)O ZINC000246834880 139123712 /nfs/dbraw/zinc/12/37/12/139123712.db2.gz MBLOZOHPWBFNTM-RYUDHWBXSA-N 1 1 339.367 1.651 20 5 EDBDMO COCC[N@@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093005699 218184879 /nfs/dbraw/zinc/18/48/79/218184879.db2.gz OEDGBIZFOHLYGB-UHFFFAOYSA-N 1 1 333.182 1.798 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261986003 139241921 /nfs/dbraw/zinc/24/19/21/139241921.db2.gz OOZPKOKZFPCBBE-OAHLLOKOSA-N 1 1 330.319 1.916 20 5 EDBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000418123676 251334838 /nfs/dbraw/zinc/33/48/38/251334838.db2.gz LOAKUEUNZFDRJO-AWEZNQCLSA-N 1 1 335.360 1.157 20 5 EDBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000418123676 251334839 /nfs/dbraw/zinc/33/48/39/251334839.db2.gz LOAKUEUNZFDRJO-AWEZNQCLSA-N 1 1 335.360 1.157 20 5 EDBDMO CNc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000570332463 306537771 /nfs/dbraw/zinc/53/77/71/306537771.db2.gz KQUMMYVMYSKBJY-CQSZACIVSA-N 1 1 344.375 1.157 20 5 EDBDMO CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@@H+](C)C1 ZINC000153870657 224169317 /nfs/dbraw/zinc/16/93/17/224169317.db2.gz AYNNOCMFNVIXON-HNNXBMFYSA-N 1 1 343.387 1.947 20 5 EDBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493509465 255213093 /nfs/dbraw/zinc/21/30/93/255213093.db2.gz FWSIOHBTDCVPJO-QZDDGCDVSA-N 1 1 341.371 1.515 20 5 EDBDMO CC[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000495231271 255274505 /nfs/dbraw/zinc/27/45/05/255274505.db2.gz UOOORUNUNICVSJ-BDJLRTHQSA-N 1 1 337.376 1.777 20 5 EDBDMO CC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000495231271 255274506 /nfs/dbraw/zinc/27/45/06/255274506.db2.gz UOOORUNUNICVSJ-BDJLRTHQSA-N 1 1 337.376 1.777 20 5 EDBDMO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000495452795 255285444 /nfs/dbraw/zinc/28/54/44/255285444.db2.gz 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C[N@@H+](CCCO)C1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000270356029 140085028 /nfs/dbraw/zinc/08/50/28/140085028.db2.gz HOIHDSDYYVAKLT-UHFFFAOYSA-N 1 1 336.392 1.096 20 5 EDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](CCc2cccs2)CC1 ZINC000270642358 140139850 /nfs/dbraw/zinc/13/98/50/140139850.db2.gz HDXNXJGNACMFSE-UHFFFAOYSA-N 1 1 335.389 1.380 20 5 EDBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000124592016 296511098 /nfs/dbraw/zinc/51/10/98/296511098.db2.gz ACCFXJHIVOVGNL-AOOOYVTPSA-N 1 1 345.808 1.763 20 5 EDBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000332088179 141120601 /nfs/dbraw/zinc/12/06/01/141120601.db2.gz JOSZFNKHMBMXOF-UHFFFAOYSA-N 1 1 332.364 1.157 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000332136628 141129374 /nfs/dbraw/zinc/12/93/74/141129374.db2.gz JMUXGQNXGRASKV-CVEARBPZSA-N 1 1 348.403 1.247 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000347062612 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JGPUXOWLVZXZIZ-ZDUSSCGKSA-N 1 1 343.387 1.804 20 5 EDBDMO CN(C)C(=O)NCC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000355028070 150081041 /nfs/dbraw/zinc/08/10/41/150081041.db2.gz FUNLTVCFNJTAQQ-UHFFFAOYSA-N 1 1 337.380 1.126 20 5 EDBDMO Cn1cc(C[N@H+](C)[C@@H]2CCNC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000355193850 150160587 /nfs/dbraw/zinc/16/05/87/150160587.db2.gz FXJAYPDSOPJMDD-CQSZACIVSA-N 1 1 329.360 1.316 20 5 EDBDMO Cn1cc(C[N@@H+](C)[C@@H]2CCNC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000355193850 150160588 /nfs/dbraw/zinc/16/05/88/150160588.db2.gz FXJAYPDSOPJMDD-CQSZACIVSA-N 1 1 329.360 1.316 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355386482 150247146 /nfs/dbraw/zinc/24/71/46/150247146.db2.gz RDYPOMZPZIISTM-HZPDHXFCSA-N 1 1 333.388 1.459 20 5 EDBDMO CC(C)COC(=O)N1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000370000946 155274670 /nfs/dbraw/zinc/27/46/70/155274670.db2.gz FVLVNLMMVFWXGS-UHFFFAOYSA-N 1 1 339.396 1.592 20 5 EDBDMO CC(C)COC(=O)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000370000946 155274674 /nfs/dbraw/zinc/27/46/74/155274674.db2.gz FVLVNLMMVFWXGS-UHFFFAOYSA-N 1 1 339.396 1.592 20 5 EDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000357629918 151092435 /nfs/dbraw/zinc/09/24/35/151092435.db2.gz VLRAFKOWIBKJBX-GFCCVEGCSA-N 1 1 346.387 1.917 20 5 EDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000370080282 155315339 /nfs/dbraw/zinc/31/53/39/155315339.db2.gz FDYIBFOTALGDFY-PIGZYNQJSA-N 1 1 349.387 1.777 20 5 EDBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000370080282 155315341 /nfs/dbraw/zinc/31/53/41/155315341.db2.gz FDYIBFOTALGDFY-PIGZYNQJSA-N 1 1 349.387 1.777 20 5 EDBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000370104517 155325397 /nfs/dbraw/zinc/32/53/97/155325397.db2.gz JEJSWYWMMJUJRA-BZUAXINKSA-N 1 1 333.388 1.059 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000370104517 155325398 /nfs/dbraw/zinc/32/53/98/155325398.db2.gz JEJSWYWMMJUJRA-BZUAXINKSA-N 1 1 333.388 1.059 20 5 EDBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000370104517 155325400 /nfs/dbraw/zinc/32/54/00/155325400.db2.gz JEJSWYWMMJUJRA-BZUAXINKSA-N 1 1 333.388 1.059 20 5 EDBDMO CC1(C)[C@H](O)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000361405752 152384514 /nfs/dbraw/zinc/38/45/14/152384514.db2.gz YPVPTQPXUASKCB-CQSZACIVSA-N 1 1 335.360 1.738 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000370152931 155351033 /nfs/dbraw/zinc/35/10/33/155351033.db2.gz WNJCHHXTFIPLFP-KMFMINBZSA-N 1 1 335.404 1.361 20 5 EDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000361659225 152460233 /nfs/dbraw/zinc/46/02/33/152460233.db2.gz XXSBCYMZTRIKNN-NWDGAFQWSA-N 1 1 334.332 1.860 20 5 EDBDMO Cc1nc(N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000363887642 153085956 /nfs/dbraw/zinc/08/59/56/153085956.db2.gz GUSOMOLKMOAIDK-AWEZNQCLSA-N 1 1 335.408 1.117 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000364114044 153148908 /nfs/dbraw/zinc/14/89/08/153148908.db2.gz ZIEGPSGZIRWFLI-HNNXBMFYSA-N 1 1 346.387 1.149 20 5 EDBDMO Nc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000364443658 153239807 /nfs/dbraw/zinc/23/98/07/153239807.db2.gz LEQFDTQTUKEHFU-GJZGRUSLSA-N 1 1 348.403 1.550 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(F)c2F)CC1 ZINC000364931786 153374504 /nfs/dbraw/zinc/37/45/04/153374504.db2.gz DIEKSWGJPJDLRM-JTQLQIEISA-N 1 1 343.330 1.402 20 5 EDBDMO C[C@@H]1OCC[C@]12C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000369414792 155021452 /nfs/dbraw/zinc/02/14/52/155021452.db2.gz XZYKHHIZTHAGQH-GUYCJALGSA-N 1 1 349.387 1.803 20 5 EDBDMO CC[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000373812791 157017007 /nfs/dbraw/zinc/01/70/07/157017007.db2.gz RFDJMUYNSJUNRR-IXDOHACOSA-N 1 1 336.388 1.898 20 5 EDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000373812791 157017010 /nfs/dbraw/zinc/01/70/10/157017010.db2.gz RFDJMUYNSJUNRR-IXDOHACOSA-N 1 1 336.388 1.898 20 5 EDBDMO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCN2C1=O ZINC000378374119 158156943 /nfs/dbraw/zinc/15/69/43/158156943.db2.gz UURNGLWWPKASPX-AWEZNQCLSA-N 1 1 332.360 1.372 20 5 EDBDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCN2C1=O ZINC000378374119 158156946 /nfs/dbraw/zinc/15/69/46/158156946.db2.gz UURNGLWWPKASPX-AWEZNQCLSA-N 1 1 332.360 1.372 20 5 EDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000378535235 158202701 /nfs/dbraw/zinc/20/27/01/158202701.db2.gz QEVFBVLMJGLBPV-NSHDSACASA-N 1 1 336.417 1.440 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]([NH+]4CCOCC4)C3)nc2c1 ZINC000575999192 306675068 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BZMXDXIUGMZIDH-SNVBAGLBSA-N 1 1 327.406 1.893 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000273391089 268041013 /nfs/dbraw/zinc/04/10/13/268041013.db2.gz DMUPQPSLZKOODM-HNNXBMFYSA-N 1 1 341.433 1.807 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000273391089 268041015 /nfs/dbraw/zinc/04/10/15/268041015.db2.gz DMUPQPSLZKOODM-HNNXBMFYSA-N 1 1 341.433 1.807 20 5 EDBDMO O=[N+]([O-])c1cnc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)nc1 ZINC000273719499 268077312 /nfs/dbraw/zinc/07/73/12/268077312.db2.gz GLNRCZBEIHLQJH-ZBFHGGJFSA-N 1 1 343.387 1.680 20 5 EDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000275351125 268327772 /nfs/dbraw/zinc/32/77/72/268327772.db2.gz UCHOAXUKYNFRSI-LLVKDONJSA-N 1 1 336.373 1.332 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000275495486 268351259 /nfs/dbraw/zinc/35/12/59/268351259.db2.gz BUKTWNFFJGUIFL-AWEZNQCLSA-N 1 1 330.392 1.682 20 5 EDBDMO COCCO[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000275508084 268353042 /nfs/dbraw/zinc/35/30/42/268353042.db2.gz HQZDTIJSAVDULG-UONOGXRCSA-N 1 1 340.376 1.072 20 5 EDBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000273380299 273036187 /nfs/dbraw/zinc/03/61/87/273036187.db2.gz IFXROEYIGBWZSF-NSHDSACASA-N 1 1 340.355 1.824 20 5 EDBDMO COc1cc(CN2CCN(c3[nH+]ccn3C)CC2)c([N+](=O)[O-])cc1F ZINC000274341126 273085582 /nfs/dbraw/zinc/08/55/82/273085582.db2.gz UMGPYPXKZGEVQX-UHFFFAOYSA-N 1 1 349.366 1.798 20 5 EDBDMO COC(=O)[C@]1(C)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275154493 273103971 /nfs/dbraw/zinc/10/39/71/273103971.db2.gz YSQFASLKYNLMLS-CJNGLKHVSA-N 1 1 338.360 1.362 20 5 EDBDMO COC(=O)[C@]1(C)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275154493 273103973 /nfs/dbraw/zinc/10/39/73/273103973.db2.gz YSQFASLKYNLMLS-CJNGLKHVSA-N 1 1 338.360 1.362 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])s2)CCCO1 ZINC000277520845 273204051 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C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000162553738 442103410 /nfs/dbraw/zinc/10/34/10/442103410.db2.gz QKTCOMCNWFOFJS-BETUJISGSA-N 1 1 343.387 1.945 20 5 EDBDMO O=C(C[N@H+](CCCCO)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000152518547 442222161 /nfs/dbraw/zinc/22/21/61/442222161.db2.gz OCJQGRXJXMIFPZ-UHFFFAOYSA-N 1 1 333.388 1.721 20 5 EDBDMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000155545665 442406660 /nfs/dbraw/zinc/40/66/60/442406660.db2.gz VJGAPUYJRCHJSJ-STQMWFEESA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000134388487 442477076 /nfs/dbraw/zinc/47/70/76/442477076.db2.gz BYGHNUFDCJIFGC-NSHDSACASA-N 1 1 325.340 1.432 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000192146316 442602531 /nfs/dbraw/zinc/60/25/31/442602531.db2.gz KKAKVUADBXITLR-UHFFFAOYSA-N 1 1 329.422 1.830 20 5 EDBDMO Cc1csc(N2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000157786180 442614327 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GUHNIULBRCBVAI-ZDUSSCGKSA-N 1 1 349.387 1.613 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000180841536 442664105 /nfs/dbraw/zinc/66/41/05/442664105.db2.gz GUHNIULBRCBVAI-ZDUSSCGKSA-N 1 1 349.387 1.613 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182235023 442748829 /nfs/dbraw/zinc/74/88/29/442748829.db2.gz GZLHREDIFUHEBZ-NSHDSACASA-N 1 1 335.360 1.737 20 5 EDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000246624803 442797489 /nfs/dbraw/zinc/79/74/89/442797489.db2.gz KBDBEVWVABDKDU-STQMWFEESA-N 1 1 338.412 1.211 20 5 EDBDMO COc1cccc2c1CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000182666204 442803650 /nfs/dbraw/zinc/80/36/50/442803650.db2.gz BYEZWZUPZUGUAF-CQSZACIVSA-N 1 1 332.360 1.219 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1CC(C)(C)O ZINC000188754055 442804813 /nfs/dbraw/zinc/80/48/13/442804813.db2.gz OLSRIWQIGDUOII-LLVKDONJSA-N 1 1 336.392 1.094 20 5 EDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000193598519 442757922 /nfs/dbraw/zinc/75/79/22/442757922.db2.gz MYZSEFMCDGTOLL-GFCCVEGCSA-N 1 1 332.360 1.931 20 5 EDBDMO C[N@@H+]1C[C@H]2CN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]2C1 ZINC000193599463 442757953 /nfs/dbraw/zinc/75/79/53/442757953.db2.gz XGWOGYMMWXZHTK-DVOMOZLQSA-N 1 1 330.388 1.194 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000265432957 442771080 /nfs/dbraw/zinc/77/10/80/442771080.db2.gz VZTYTOOEAJJUAW-NSHDSACASA-N 1 1 338.364 1.446 20 5 EDBDMO Cc1sc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188651897 442781006 /nfs/dbraw/zinc/78/10/06/442781006.db2.gz ANMAFARIMLQZMR-SNVBAGLBSA-N 1 1 341.433 1.882 20 5 EDBDMO Cc1sc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188651897 442781009 /nfs/dbraw/zinc/78/10/09/442781009.db2.gz ANMAFARIMLQZMR-SNVBAGLBSA-N 1 1 341.433 1.882 20 5 EDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000182532086 442782965 /nfs/dbraw/zinc/78/29/65/442782965.db2.gz QNKVAXZWBOESQO-UHFFFAOYSA-N 1 1 335.813 1.787 20 5 EDBDMO C[C@@]1(C(N)=O)CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248613070 442906524 /nfs/dbraw/zinc/90/65/24/442906524.db2.gz QWNJAMZAVUORTA-CJNGLKHVSA-N 1 1 337.376 1.064 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189451409 442957046 /nfs/dbraw/zinc/95/70/46/442957046.db2.gz NPNSMLXCZAFMDU-UHFFFAOYSA-N 1 1 336.392 1.113 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000189451409 442957049 /nfs/dbraw/zinc/95/70/49/442957049.db2.gz NPNSMLXCZAFMDU-UHFFFAOYSA-N 1 1 336.392 1.113 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000190161563 443065964 /nfs/dbraw/zinc/06/59/64/443065964.db2.gz UIJDJDXEDNEWOO-UHFFFAOYSA-N 1 1 341.433 1.926 20 5 EDBDMO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)C1CC1 ZINC000268878613 443135463 /nfs/dbraw/zinc/13/54/63/443135463.db2.gz XCOWHZRNEZPSEU-DLBZAZTESA-N 1 1 333.432 1.962 20 5 EDBDMO C[C@@H](O)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)CO ZINC000190840571 443193208 /nfs/dbraw/zinc/19/32/08/443193208.db2.gz SMLYTLBHNAEKTF-WDEREUQCSA-N 1 1 336.348 1.208 20 5 EDBDMO C[C@@H](O)C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)CO ZINC000190840571 443193211 /nfs/dbraw/zinc/19/32/11/443193211.db2.gz SMLYTLBHNAEKTF-WDEREUQCSA-N 1 1 336.348 1.208 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000266534409 443159771 /nfs/dbraw/zinc/15/97/71/443159771.db2.gz NKYSNTAMKXNTTH-XJKSGUPXSA-N 1 1 334.351 1.781 20 5 EDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CCn4c[nH+]cc4C3)n2)n1C ZINC000350965538 319083844 /nfs/dbraw/zinc/08/38/44/319083844.db2.gz OSHSNMLVYFPWHQ-VIFPVBQESA-N 1 1 329.320 1.613 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCSC3(CCC3)CC2)c1 ZINC000411871383 319210749 /nfs/dbraw/zinc/21/07/49/319210749.db2.gz RJVWTDXVHCPWFV-ZDUSSCGKSA-N 1 1 326.422 1.514 20 5 EDBDMO CC[N@H+]1CC[C@H](NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412867532 319244960 /nfs/dbraw/zinc/24/49/60/319244960.db2.gz ATHAXUYEVAFRDY-JTQLQIEISA-N 1 1 325.340 1.495 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269543987 443343719 /nfs/dbraw/zinc/34/37/19/443343719.db2.gz WAEVOIZVCDRWSU-UHFFFAOYSA-N 1 1 327.385 1.139 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CN(C)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000267012308 443313089 /nfs/dbraw/zinc/31/30/89/443313089.db2.gz IDXZLIKMJVMDJG-NSHDSACASA-N 1 1 342.421 1.163 20 5 EDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000282476284 443350477 /nfs/dbraw/zinc/35/04/77/443350477.db2.gz OJGKMAWPSTVPND-UHFFFAOYSA-N 1 1 346.343 1.839 20 5 EDBDMO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)CC1 ZINC000272537701 443355075 /nfs/dbraw/zinc/35/50/75/443355075.db2.gz NMMPDLQVNLPWJM-AWEZNQCLSA-N 1 1 348.403 1.152 20 5 EDBDMO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269609906 443363404 /nfs/dbraw/zinc/36/34/04/443363404.db2.gz QVXZQYGIHHXNAL-NWDGAFQWSA-N 1 1 335.408 1.998 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269609906 443363406 /nfs/dbraw/zinc/36/34/06/443363406.db2.gz QVXZQYGIHHXNAL-NWDGAFQWSA-N 1 1 335.408 1.998 20 5 EDBDMO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000269700447 443402262 /nfs/dbraw/zinc/40/22/62/443402262.db2.gz QSDSQARAAFJEPF-NSHDSACASA-N 1 1 339.417 1.657 20 5 EDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000278973856 443478339 /nfs/dbraw/zinc/47/83/39/443478339.db2.gz CXUSDDILSXXJTD-LBPRGKRZSA-N 1 1 348.403 1.502 20 5 EDBDMO O=C(CC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000282840924 443447395 /nfs/dbraw/zinc/44/73/95/443447395.db2.gz ASZXXHLKBSGPAK-TZMCWYRMSA-N 1 1 346.387 1.666 20 5 EDBDMO O=C(CC[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000282840924 443447398 /nfs/dbraw/zinc/44/73/98/443447398.db2.gz ASZXXHLKBSGPAK-TZMCWYRMSA-N 1 1 346.387 1.666 20 5 EDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000273044486 443527349 /nfs/dbraw/zinc/52/73/49/443527349.db2.gz PRLNZFFSTKYLHI-DOTOQJQBSA-N 1 1 346.383 2.000 20 5 EDBDMO C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000265094905 443531092 /nfs/dbraw/zinc/53/10/92/443531092.db2.gz DTQLAPQGZGACJB-LBPRGKRZSA-N 1 1 338.383 1.347 20 5 EDBDMO Nc1nc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ncc1[N+](=O)[O-] ZINC000273078377 443532292 /nfs/dbraw/zinc/53/22/92/443532292.db2.gz GULVZNIRZRRBMX-ZDUSSCGKSA-N 1 1 344.375 1.146 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272259435 443572110 /nfs/dbraw/zinc/57/21/10/443572110.db2.gz ALHNZCZEVKGIMO-XJKSGUPXSA-N 1 1 332.404 1.949 20 5 EDBDMO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000283399951 443623458 /nfs/dbraw/zinc/62/34/58/443623458.db2.gz FINZEHWGBDTQNM-CQSZACIVSA-N 1 1 328.376 1.675 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C(N)=O ZINC000286035335 443630582 /nfs/dbraw/zinc/63/05/82/443630582.db2.gz DMQTZYSNNVTCDI-QMTHXVAHSA-N 1 1 330.344 1.803 20 5 EDBDMO CN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000272340679 443596877 /nfs/dbraw/zinc/59/68/77/443596877.db2.gz NEDXYRKZQGNHOX-JTQLQIEISA-N 1 1 335.389 1.766 20 5 EDBDMO C[C@@H]1C[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000267851028 443598150 /nfs/dbraw/zinc/59/81/50/443598150.db2.gz FQCUUNLVKODIHU-NXEZZACHSA-N 1 1 340.405 1.279 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000439346044 320045058 /nfs/dbraw/zinc/04/50/58/320045058.db2.gz HOKKCWHBTDJFQX-LLVKDONJSA-N 1 1 334.376 1.394 20 5 EDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448981035 320169872 /nfs/dbraw/zinc/16/98/72/320169872.db2.gz RMBNEMFSVBAVGP-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO 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ZINC000292181734 443782386 /nfs/dbraw/zinc/78/23/86/443782386.db2.gz QQDIKAGOZIXIKS-KRWDZBQOSA-N 1 1 348.403 1.570 20 5 EDBDMO O=C(C[N@H+]1CCC[C@H](CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000298690508 443840044 /nfs/dbraw/zinc/84/00/44/443840044.db2.gz XKTINWXQWYMNEZ-JTQLQIEISA-N 1 1 327.768 1.891 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@H](CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000298690508 443840046 /nfs/dbraw/zinc/84/00/46/443840046.db2.gz XKTINWXQWYMNEZ-JTQLQIEISA-N 1 1 327.768 1.891 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000292639591 443805522 /nfs/dbraw/zinc/80/55/22/443805522.db2.gz WQDZEXCUTMLDCI-INIZCTEOSA-N 1 1 335.408 1.352 20 5 EDBDMO CO[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000277064249 443899381 /nfs/dbraw/zinc/89/93/81/443899381.db2.gz DLVOTRPWKVTIML-IYBDPMFKSA-N 1 1 346.387 1.841 20 5 EDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1CCS(=O)(=O)CC1 ZINC000285352281 443953039 /nfs/dbraw/zinc/95/30/39/443953039.db2.gz PSKDQFDOELQCMG-UHFFFAOYSA-N 1 1 326.418 1.894 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000285407359 443973479 /nfs/dbraw/zinc/97/34/79/443973479.db2.gz KEFPVSKFQWYZSB-UHFFFAOYSA-N 1 1 347.350 1.805 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000285407359 443973484 /nfs/dbraw/zinc/97/34/84/443973484.db2.gz KEFPVSKFQWYZSB-UHFFFAOYSA-N 1 1 347.350 1.805 20 5 EDBDMO CC[N@H+](CCOCCO)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000281902518 444035097 /nfs/dbraw/zinc/03/50/97/444035097.db2.gz BPADQIRCGVMOCE-LBPRGKRZSA-N 1 1 325.365 1.253 20 5 EDBDMO CC[N@@H+](CCOCCO)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000281902518 444035100 /nfs/dbraw/zinc/03/51/00/444035100.db2.gz BPADQIRCGVMOCE-LBPRGKRZSA-N 1 1 325.365 1.253 20 5 EDBDMO Cc1n[nH]c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000299534925 444072020 /nfs/dbraw/zinc/07/20/20/444072020.db2.gz MSVWQQQLONAERF-LLVKDONJSA-N 1 1 333.348 1.786 20 5 EDBDMO CC[N@H+](CCOCCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000282056983 444074573 /nfs/dbraw/zinc/07/45/73/444074573.db2.gz MLTUOBWWNQLGSI-UHFFFAOYSA-N 1 1 336.348 1.476 20 5 EDBDMO CC[N@@H+](CCOCCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000282056983 444074577 /nfs/dbraw/zinc/07/45/77/444074577.db2.gz MLTUOBWWNQLGSI-UHFFFAOYSA-N 1 1 336.348 1.476 20 5 EDBDMO CN(C)c1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)n1 ZINC000301725851 444187803 /nfs/dbraw/zinc/18/78/03/444187803.db2.gz MMYNLIQYXWWFFP-UHFFFAOYSA-N 1 1 329.364 1.172 20 5 EDBDMO C[N@H+]1CCO[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@H]21 ZINC000301946286 444198099 /nfs/dbraw/zinc/19/80/99/444198099.db2.gz XNLFRAIJALNUST-MNOVXSKESA-N 1 1 343.181 1.272 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](c2ccccc2)O1 ZINC000304324457 444246456 /nfs/dbraw/zinc/24/64/56/444246456.db2.gz RVQWSWPODCSSKH-COXVUDFISA-N 1 1 346.387 1.614 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](c2ccccc2)O1 ZINC000304324457 444246459 /nfs/dbraw/zinc/24/64/59/444246459.db2.gz RVQWSWPODCSSKH-COXVUDFISA-N 1 1 346.387 1.614 20 5 EDBDMO C[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1CO ZINC000305704550 444273839 /nfs/dbraw/zinc/27/38/39/444273839.db2.gz COPOGBFKEFCHHN-LRDDRELGSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1CO ZINC000305704550 444273841 /nfs/dbraw/zinc/27/38/41/444273841.db2.gz COPOGBFKEFCHHN-LRDDRELGSA-N 1 1 333.388 1.577 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000290677151 444309629 /nfs/dbraw/zinc/30/96/29/444309629.db2.gz PYIBKXNWTIXUHU-UHFFFAOYSA-N 1 1 340.399 1.689 20 5 EDBDMO CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F)CC[NH+](C)C ZINC000290677151 444309630 /nfs/dbraw/zinc/30/96/30/444309630.db2.gz PYIBKXNWTIXUHU-UHFFFAOYSA-N 1 1 340.399 1.689 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000290712426 444313960 /nfs/dbraw/zinc/31/39/60/444313960.db2.gz XRJSUQMQPOIUKI-SNVBAGLBSA-N 1 1 330.410 1.384 20 5 EDBDMO Cc1cc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000290416869 444277956 /nfs/dbraw/zinc/27/79/56/444277956.db2.gz ALFRNMUDZBBVQH-UHFFFAOYSA-N 1 1 330.348 1.552 20 5 EDBDMO COc1cc(CN2CCC([N@@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000305842185 444283149 /nfs/dbraw/zinc/28/31/49/444283149.db2.gz RLQOEUQEXKIGJS-UHFFFAOYSA-N 1 1 337.420 1.882 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000342220612 444571795 /nfs/dbraw/zinc/57/17/95/444571795.db2.gz BOPHBRKEURMBNX-CYBMUJFWSA-N 1 1 343.387 1.995 20 5 EDBDMO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000341008487 444628336 /nfs/dbraw/zinc/62/83/36/444628336.db2.gz CLNWLZMXXNRROU-WCQYABFASA-N 1 1 336.392 1.885 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000340997023 444621444 /nfs/dbraw/zinc/62/14/44/444621444.db2.gz UWLYASYIIWSLQW-STQMWFEESA-N 1 1 335.408 1.789 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1C ZINC000342434584 444690582 /nfs/dbraw/zinc/69/05/82/444690582.db2.gz WEOAWJQOVHXKKB-MFKMUULPSA-N 1 1 328.390 1.516 20 5 EDBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000343961475 444695658 /nfs/dbraw/zinc/69/56/58/444695658.db2.gz BSFJUZZLOPQFKB-CQSZACIVSA-N 1 1 348.403 1.137 20 5 EDBDMO CS[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000342539606 444737025 /nfs/dbraw/zinc/73/70/25/444737025.db2.gz GEPXMJDMJFJEFZ-GJZGRUSLSA-N 1 1 325.434 1.951 20 5 EDBDMO Cc1nn(C)c(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000344064906 444760493 /nfs/dbraw/zinc/76/04/93/444760493.db2.gz RHYJAAZAVTXBST-UHFFFAOYSA-N 1 1 349.391 1.824 20 5 EDBDMO C[C@H]1C[C@H](CO)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000344126343 444795666 /nfs/dbraw/zinc/79/56/66/444795666.db2.gz HFPVLOBWDLHOMQ-QWHCGFSZSA-N 1 1 349.387 1.986 20 5 EDBDMO C[N@@H+](CCCC(=O)OC(C)(C)C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000341577771 444904458 /nfs/dbraw/zinc/90/44/58/444904458.db2.gz NSLSBNPPWJITRY-UHFFFAOYSA-N 1 1 339.392 1.810 20 5 EDBDMO COc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000339040450 445003055 /nfs/dbraw/zinc/00/30/55/445003055.db2.gz CYVBZJXWQXNQAG-JTQLQIEISA-N 1 1 341.389 1.118 20 5 EDBDMO COc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000339040450 445003060 /nfs/dbraw/zinc/00/30/60/445003060.db2.gz CYVBZJXWQXNQAG-JTQLQIEISA-N 1 1 341.389 1.118 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330589697 445050313 /nfs/dbraw/zinc/05/03/13/445050313.db2.gz NOGSSERPNKZBDS-QWHCGFSZSA-N 1 1 348.403 1.266 20 5 EDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348545619 445322423 /nfs/dbraw/zinc/32/24/23/445322423.db2.gz VYVCEADRWPNQOB-NVXWUHKLSA-N 1 1 337.420 1.607 20 5 EDBDMO CC(C)[C@H]1CN(C)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348545619 445322427 /nfs/dbraw/zinc/32/24/27/445322427.db2.gz VYVCEADRWPNQOB-NVXWUHKLSA-N 1 1 337.420 1.607 20 5 EDBDMO CC(C)[C@H]1CN(C)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348545619 445322430 /nfs/dbraw/zinc/32/24/30/445322430.db2.gz VYVCEADRWPNQOB-NVXWUHKLSA-N 1 1 337.420 1.607 20 5 EDBDMO Cc1cc(NC[C@](C)(O)C[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000360076925 445555166 /nfs/dbraw/zinc/55/51/66/445555166.db2.gz YKAYPKKRPHHCSL-HNNXBMFYSA-N 1 1 327.356 1.537 20 5 EDBDMO COc1c(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000355997828 445564363 /nfs/dbraw/zinc/56/43/63/445564363.db2.gz JTISFTXFZVSFIM-LBPRGKRZSA-N 1 1 337.376 1.444 20 5 EDBDMO CCc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCO)[C@H]2C)cc1[N+](=O)[O-] ZINC000356073073 445603769 /nfs/dbraw/zinc/60/37/69/445603769.db2.gz XBTZRJPZBBQBLI-DOMZBBRYSA-N 1 1 335.404 1.684 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000356157082 445653478 /nfs/dbraw/zinc/65/34/78/445653478.db2.gz LGVDLQTUUXOPID-UHFFFAOYSA-N 1 1 329.360 1.116 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000356157082 445653482 /nfs/dbraw/zinc/65/34/82/445653482.db2.gz LGVDLQTUUXOPID-UHFFFAOYSA-N 1 1 329.360 1.116 20 5 EDBDMO Cn1ccnc1[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353676821 445703617 /nfs/dbraw/zinc/70/36/17/445703617.db2.gz WWUMHKUHMIORTB-NVXWUHKLSA-N 1 1 345.403 1.074 20 5 EDBDMO Cc1c(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000363217927 445726363 /nfs/dbraw/zinc/72/63/63/445726363.db2.gz CXDKGEXUMRVYLI-OAHLLOKOSA-N 1 1 346.431 1.755 20 5 EDBDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000358790370 445776909 /nfs/dbraw/zinc/77/69/09/445776909.db2.gz JMBPVOWXZUPXRR-DAXOMENPSA-N 1 1 331.376 1.630 20 5 EDBDMO CC[C@@H]1CN2CCCC[C@@H]2C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000363507401 445836977 /nfs/dbraw/zinc/83/69/77/445836977.db2.gz VWPUPOFZAAPSKC-IIAWOOMASA-N 1 1 337.424 1.101 20 5 EDBDMO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000363507401 445836979 /nfs/dbraw/zinc/83/69/79/445836979.db2.gz VWPUPOFZAAPSKC-IIAWOOMASA-N 1 1 337.424 1.101 20 5 EDBDMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000363507401 445836980 /nfs/dbraw/zinc/83/69/80/445836980.db2.gz VWPUPOFZAAPSKC-IIAWOOMASA-N 1 1 337.424 1.101 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365927861 445911298 /nfs/dbraw/zinc/91/12/98/445911298.db2.gz MKGVNHJIXIZULW-CQSZACIVSA-N 1 1 335.408 1.829 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000354187997 445982806 /nfs/dbraw/zinc/98/28/06/445982806.db2.gz HIDNCLRPJGAEQL-UHFFFAOYSA-N 1 1 345.359 1.417 20 5 EDBDMO Cc1ccc(N2CCC[C@H](C(=O)Nc3c([N+](=O)[O-])cnn3C)C2)[nH+]c1 ZINC000365993577 445949536 /nfs/dbraw/zinc/94/95/36/445949536.db2.gz HRVHCBMKKONBOW-LBPRGKRZSA-N 1 1 344.375 1.887 20 5 EDBDMO Cc1cc(Sc2nnnn2C[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000356782955 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ZINC000427842987 447660383 /nfs/dbraw/zinc/66/03/83/447660383.db2.gz LMKKRMADMUZJEU-LBPRGKRZSA-N 1 1 337.376 1.444 20 5 EDBDMO CCNC(=O)C(C)(C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459586052 447714375 /nfs/dbraw/zinc/71/43/75/447714375.db2.gz KERKIPWEHSCRIB-UHFFFAOYSA-N 1 1 342.783 1.691 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)c1 ZINC000459725539 447753624 /nfs/dbraw/zinc/75/36/24/447753624.db2.gz QBZAWBZQONAYGK-HYVNUMGLSA-N 1 1 348.399 1.835 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452072704 447810705 /nfs/dbraw/zinc/81/07/05/447810705.db2.gz XOMYURFDEBQHTC-DGCLKSJQSA-N 1 1 337.376 1.635 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000569827014 447902210 /nfs/dbraw/zinc/90/22/10/447902210.db2.gz AZGNPTCRCCYVKY-LLVKDONJSA-N 1 1 331.376 2.386 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000531481259 448090498 /nfs/dbraw/zinc/09/04/98/448090498.db2.gz ZMLRVBQRIWSISM-OLZOCXBDSA-N 1 1 348.403 1.898 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000576844469 448154338 /nfs/dbraw/zinc/15/43/38/448154338.db2.gz BXLZGUCNGXQJGA-UHFFFAOYSA-N 1 1 334.376 1.643 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491792622 448125865 /nfs/dbraw/zinc/12/58/65/448125865.db2.gz HPQDGKBLKWLCPE-YVZNUBBCSA-N 1 1 336.367 1.109 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492724613 448270148 /nfs/dbraw/zinc/27/01/48/448270148.db2.gz ZLZSOPNAZNKECO-FHMRSRPSSA-N 1 1 337.351 1.272 20 5 EDBDMO Cc1nc2n(n1)CCC[C@H]2[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515415550 448310546 /nfs/dbraw/zinc/31/05/46/448310546.db2.gz UKKOZQJEXXNUCT-DZGCQCFKSA-N 1 1 347.375 1.359 20 5 EDBDMO C[NH+](C)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccco1 ZINC000591415426 448355857 /nfs/dbraw/zinc/35/58/57/448355857.db2.gz GJCSRZMUKSSIBY-LBPRGKRZSA-N 1 1 347.327 1.949 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H](O)CC12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000577853485 448403780 /nfs/dbraw/zinc/40/37/80/448403780.db2.gz SGVLGWQKGSEAPT-OAHLLOKOSA-N 1 1 345.399 1.863 20 5 EDBDMO O=C(C[N@@H+]1CC[C@@H](O)CC12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000577853485 448403782 /nfs/dbraw/zinc/40/37/82/448403782.db2.gz SGVLGWQKGSEAPT-OAHLLOKOSA-N 1 1 345.399 1.863 20 5 EDBDMO Cn1cncc1CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572658646 448432751 /nfs/dbraw/zinc/43/27/51/448432751.db2.gz BJBLTEAAWRFHFT-CYBMUJFWSA-N 1 1 330.392 1.842 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000516878152 448488904 /nfs/dbraw/zinc/48/89/04/448488904.db2.gz ADESMIVUYPEIKL-CYBMUJFWSA-N 1 1 336.348 1.113 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000591726509 448473425 /nfs/dbraw/zinc/47/34/25/448473425.db2.gz CMABQPURHIHPHX-IJEWVQPXSA-N 1 1 335.404 1.551 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000591726509 448473433 /nfs/dbraw/zinc/47/34/33/448473433.db2.gz CMABQPURHIHPHX-IJEWVQPXSA-N 1 1 335.404 1.551 20 5 EDBDMO CCc1ccc(S(=O)(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000592012143 448624992 /nfs/dbraw/zinc/62/49/92/448624992.db2.gz IFSQZTMTJFJSSJ-UHFFFAOYSA-N 1 1 327.406 1.531 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000567499423 448704273 /nfs/dbraw/zinc/70/42/73/448704273.db2.gz ZOWFNJCNUBCCEZ-NVXWUHKLSA-N 1 1 336.388 1.835 20 5 EDBDMO CC[C@@H](C)[N@H+](C)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000574032448 448773949 /nfs/dbraw/zinc/77/39/49/448773949.db2.gz CZKVWINUTSHKGU-CYBMUJFWSA-N 1 1 343.449 1.688 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000574032448 448773953 /nfs/dbraw/zinc/77/39/53/448773953.db2.gz CZKVWINUTSHKGU-CYBMUJFWSA-N 1 1 343.449 1.688 20 5 EDBDMO CC1(C)CC[N@@H+](CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000567914139 448782910 /nfs/dbraw/zinc/78/29/10/448782910.db2.gz MNMXEPHKNNWZOE-UHFFFAOYSA-N 1 1 335.408 1.687 20 5 EDBDMO CC[C@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1[NH3+] ZINC000592488745 448859685 /nfs/dbraw/zinc/85/96/85/448859685.db2.gz MYUGFQBFUGSVOH-GXTWGEPZSA-N 1 1 348.403 1.952 20 5 EDBDMO CC(C)[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@H+]1C ZINC000588032329 448860588 /nfs/dbraw/zinc/86/05/88/448860588.db2.gz ICFALZKOMAOSCS-INIZCTEOSA-N 1 1 347.419 1.562 20 5 EDBDMO CCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000574396453 448863742 /nfs/dbraw/zinc/86/37/42/448863742.db2.gz TZAZOLUSWQCJHG-NSHDSACASA-N 1 1 327.406 1.387 20 5 EDBDMO Nc1nccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000548091710 448982914 /nfs/dbraw/zinc/98/29/14/448982914.db2.gz ZCHYQELYJJNJPM-UHFFFAOYSA-N 1 1 333.392 1.663 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588863027 448941864 /nfs/dbraw/zinc/94/18/64/448941864.db2.gz OAQSTDAKCVJRGO-NWDGAFQWSA-N 1 1 339.779 1.529 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000589406632 449013684 /nfs/dbraw/zinc/01/36/84/449013684.db2.gz ZHWXCYMREROSME-GFCCVEGCSA-N 1 1 348.403 1.648 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000589406632 449013691 /nfs/dbraw/zinc/01/36/91/449013691.db2.gz ZHWXCYMREROSME-GFCCVEGCSA-N 1 1 348.403 1.648 20 5 EDBDMO CC(C)Oc1nc(NC[C@@H]2CCCC[N@H+]2CCO)ccc1[N+](=O)[O-] ZINC000582132513 449020396 /nfs/dbraw/zinc/02/03/96/449020396.db2.gz OTKULDJCLMSADX-ZDUSSCGKSA-N 1 1 338.408 2.036 20 5 EDBDMO Cn1c2cc([N+](=O)[O-])c(N3CC[C@]4(CC[N@@H+](C)C4)C3)cc2n(C)c1=O ZINC000589879217 449072049 /nfs/dbraw/zinc/07/20/49/449072049.db2.gz MRFXNFWTKPTOGX-KRWDZBQOSA-N 1 1 345.403 1.317 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000589928219 449083098 /nfs/dbraw/zinc/08/30/98/449083098.db2.gz DUWMDIASJBWDFS-OCCSQVGLSA-N 1 1 339.417 1.536 20 5 EDBDMO COc1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000595729524 449134497 /nfs/dbraw/zinc/13/44/97/449134497.db2.gz SXLFYDVLXSMZRG-MFKMUULPSA-N 1 1 337.351 1.843 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000595729524 449134500 /nfs/dbraw/zinc/13/45/00/449134500.db2.gz SXLFYDVLXSMZRG-MFKMUULPSA-N 1 1 337.351 1.843 20 5 EDBDMO COc1cc(OCC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590440821 449162398 /nfs/dbraw/zinc/16/23/98/449162398.db2.gz CCUCNADQXPYDIZ-FZMZJTMJSA-N 1 1 335.360 1.145 20 5 EDBDMO CC[N@H+]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611087830 449164454 /nfs/dbraw/zinc/16/44/54/449164454.db2.gz MYGKPLMKPGXQEX-CHWSQXEVSA-N 1 1 348.403 1.266 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611088191 449165332 /nfs/dbraw/zinc/16/53/32/449165332.db2.gz JCPWYVFSFXFDMX-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611088191 449165336 /nfs/dbraw/zinc/16/53/36/449165336.db2.gz JCPWYVFSFXFDMX-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)CCO)c([N+](=O)[O-])c1 ZINC000593108716 449138119 /nfs/dbraw/zinc/13/81/19/449138119.db2.gz ZGFDVBGPTOOQEN-LLVKDONJSA-N 1 1 325.365 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)CCO)c([N+](=O)[O-])c1 ZINC000593108716 449138121 /nfs/dbraw/zinc/13/81/21/449138121.db2.gz ZGFDVBGPTOOQEN-LLVKDONJSA-N 1 1 325.365 1.635 20 5 EDBDMO O=C1CCCN1C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595831881 449196456 /nfs/dbraw/zinc/19/64/56/449196456.db2.gz MJPTZYSJXUUCGB-AWEZNQCLSA-N 1 1 333.388 1.918 20 5 EDBDMO C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@@H+]1CCO ZINC000590722789 449258258 /nfs/dbraw/zinc/25/82/58/449258258.db2.gz UUPPAJIPFMZDAH-TXEJJXNPSA-N 1 1 331.376 1.429 20 5 EDBDMO O=[N+]([O-])c1ccc(OCCN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595869746 449221111 /nfs/dbraw/zinc/22/11/11/449221111.db2.gz YBOXOPNFWOEYFM-MRXNPFEDSA-N 1 1 335.404 1.505 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590765375 449286083 /nfs/dbraw/zinc/28/60/83/449286083.db2.gz SUMXUWHWPSIQBA-DZGCQCFKSA-N 1 1 331.372 1.720 20 5 EDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000600313685 449314387 /nfs/dbraw/zinc/31/43/87/449314387.db2.gz JGGOMEJPIMSCAF-LLVKDONJSA-N 1 1 335.360 1.785 20 5 EDBDMO CN(CC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000600315936 449315631 /nfs/dbraw/zinc/31/56/31/449315631.db2.gz XLYXAYYHXWNWAY-CQSZACIVSA-N 1 1 334.420 1.879 20 5 EDBDMO O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602131858 449369837 /nfs/dbraw/zinc/36/98/37/449369837.db2.gz DKWGIDMIMLXKAH-IRXDYDNUSA-N 1 1 345.399 1.949 20 5 EDBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596120115 449373324 /nfs/dbraw/zinc/37/33/24/449373324.db2.gz HLMIRFGIVXDLAJ-ZDUSSCGKSA-N 1 1 334.424 1.178 20 5 EDBDMO COc1cccc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598450666 449401072 /nfs/dbraw/zinc/40/10/72/449401072.db2.gz FNHUDRSIWGOSQW-ZDUSSCGKSA-N 1 1 349.387 1.275 20 5 EDBDMO CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000600621497 449464602 /nfs/dbraw/zinc/46/46/02/449464602.db2.gz BKOVWPKYLBQFMG-CWRNSKLLSA-N 1 1 348.403 1.670 20 5 EDBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000596504352 449531897 /nfs/dbraw/zinc/53/18/97/449531897.db2.gz NRQQMXQKGGTDNV-UHFFFAOYSA-N 1 1 326.401 1.211 20 5 EDBDMO COc1nc(C)cc(C)c1C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000598650555 449519005 /nfs/dbraw/zinc/51/90/05/449519005.db2.gz UKBIWVOQOTYIAL-AWEZNQCLSA-N 1 1 349.391 1.305 20 5 EDBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000600839948 449572385 /nfs/dbraw/zinc/57/23/85/449572385.db2.gz XZLDCLDYVCESEB-QGZVFWFLSA-N 1 1 346.431 1.722 20 5 EDBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598773458 449593436 /nfs/dbraw/zinc/59/34/36/449593436.db2.gz RPDOXLAFTIHDDP-NSHDSACASA-N 1 1 334.376 1.832 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+](C[C@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594614399 449595944 /nfs/dbraw/zinc/59/59/44/449595944.db2.gz GLHFFJLVCSSLRJ-NSHDSACASA-N 1 1 338.360 1.492 20 5 EDBDMO O=[N+]([O-])c1sc(C[NH2+][C@]2(CO)CCOC2)cc1Br ZINC000602611549 449703810 /nfs/dbraw/zinc/70/38/10/449703810.db2.gz FUOYUBZVKVOREX-JTQLQIEISA-N 1 1 337.195 1.660 20 5 EDBDMO CN(C(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1)c1ccccc1 ZINC000602642787 449724180 /nfs/dbraw/zinc/72/41/80/449724180.db2.gz NNDIRCAXCCENCK-CYBMUJFWSA-N 1 1 343.387 1.813 20 5 EDBDMO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)N(C)C ZINC000602590500 449690630 /nfs/dbraw/zinc/69/06/30/449690630.db2.gz VDLIUFVWPGOIBH-ZCFIWIBFSA-N 1 1 336.211 1.985 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000602837492 449847015 /nfs/dbraw/zinc/84/70/15/449847015.db2.gz MZXAJJYCMARTCR-KRWDZBQOSA-N 1 1 330.388 1.736 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000602810448 449825615 /nfs/dbraw/zinc/82/56/15/449825615.db2.gz FVZGOPGXIVPOHH-JTQLQIEISA-N 1 1 349.313 1.100 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000602819992 449831911 /nfs/dbraw/zinc/83/19/11/449831911.db2.gz WEMMQWGWCQZWFM-CMPLNLGQSA-N 1 1 336.314 1.735 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601326260 449832938 /nfs/dbraw/zinc/83/29/38/449832938.db2.gz SPBYHQJHSRXMIP-UHFFFAOYSA-N 1 1 333.323 1.430 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000602827093 449838381 /nfs/dbraw/zinc/83/83/81/449838381.db2.gz PQUUJQPGQQJUJK-OAHLLOKOSA-N 1 1 337.424 1.286 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CN1CCN(C)CC1 ZINC000595019538 449842341 /nfs/dbraw/zinc/84/23/41/449842341.db2.gz QPBFXJHZCNRYGT-ZIAGYGMSSA-N 1 1 336.436 1.890 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601356118 449868830 /nfs/dbraw/zinc/86/88/30/449868830.db2.gz HHRGHSKBKMLTKJ-GXSJLCMTSA-N 1 1 347.462 1.925 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601357789 449870816 /nfs/dbraw/zinc/87/08/16/449870816.db2.gz WUZUTVCYYBQXEU-GHMZBOCLSA-N 1 1 345.396 1.803 20 5 EDBDMO C[N@@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](CO)C1 ZINC000602907432 449913444 /nfs/dbraw/zinc/91/34/44/449913444.db2.gz YYZIJBDGIFVVER-HNNXBMFYSA-N 1 1 332.360 1.358 20 5 EDBDMO C[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](CO)C1 ZINC000602907432 449913445 /nfs/dbraw/zinc/91/34/45/449913445.db2.gz YYZIJBDGIFVVER-HNNXBMFYSA-N 1 1 332.360 1.358 20 5 EDBDMO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(Cc3cn[nH]c3)CC2)c1 ZINC000599440014 449977548 /nfs/dbraw/zinc/97/75/48/449977548.db2.gz COAVZFOSZBCLEA-UHFFFAOYSA-N 1 1 331.376 1.515 20 5 EDBDMO 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O=C(CC[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000089154917 138273397 /nfs/dbraw/zinc/27/33/97/138273397.db2.gz DBGIOQGFJXFFCH-HOTGVXAUSA-N 1 1 349.387 1.803 20 5 EDBDMO COc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000124788969 138329817 /nfs/dbraw/zinc/32/98/17/138329817.db2.gz IOTHEUYDQGIJGS-PHIMTYICSA-N 1 1 341.389 1.118 20 5 EDBDMO O=C(NC1CC1)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000131017606 223197150 /nfs/dbraw/zinc/19/71/50/223197150.db2.gz MDRJWHGNEHEXJO-HNNXBMFYSA-N 1 1 329.360 1.401 20 5 EDBDMO CNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000111266099 220127970 /nfs/dbraw/zinc/12/79/70/220127970.db2.gz VQGLLDHQITXSSO-GFCCVEGCSA-N 1 1 345.359 1.603 20 5 EDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000111266099 220127974 /nfs/dbraw/zinc/12/79/74/220127974.db2.gz VQGLLDHQITXSSO-GFCCVEGCSA-N 1 1 345.359 1.603 20 5 EDBDMO CC[N@@H+](CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000111595432 220168386 /nfs/dbraw/zinc/16/83/86/220168386.db2.gz VFBIHZRXMAFDGN-UHFFFAOYSA-N 1 1 346.387 1.896 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000245925574 139090102 /nfs/dbraw/zinc/09/01/02/139090102.db2.gz OOHDDUOSYLNSLY-ZBEGNZNMSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000245925574 139090103 /nfs/dbraw/zinc/09/01/03/139090103.db2.gz OOHDDUOSYLNSLY-ZBEGNZNMSA-N 1 1 337.376 1.777 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246253827 139101096 /nfs/dbraw/zinc/10/10/96/139101096.db2.gz SWAVCKSVRSAVHP-WFASDCNBSA-N 1 1 341.433 1.946 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[N@@H+](C)C1 ZINC000346697800 250044310 /nfs/dbraw/zinc/04/43/10/250044310.db2.gz GYXVDGZSMGDBER-RYUDHWBXSA-N 1 1 346.387 1.867 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093360837 218218837 /nfs/dbraw/zinc/21/88/37/218218837.db2.gz ARPPNICZRWWRMW-NSHDSACASA-N 1 1 337.376 1.570 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CO)C1 ZINC000249333663 139191268 /nfs/dbraw/zinc/19/12/68/139191268.db2.gz XQFGQDGESTVFLT-VXGBXAGGSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CO)C1 ZINC000249333663 139191269 /nfs/dbraw/zinc/19/12/69/139191269.db2.gz XQFGQDGESTVFLT-VXGBXAGGSA-N 1 1 337.376 1.635 20 5 EDBDMO CC(C)C[C@H](CO)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249431735 139193340 /nfs/dbraw/zinc/19/33/40/139193340.db2.gz JWEOIZMQAVHFCU-HUUCEWRRSA-N 1 1 326.393 1.673 20 5 EDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261856482 139231798 /nfs/dbraw/zinc/23/17/98/139231798.db2.gz VZGYYKAJHSYRFL-HNNXBMFYSA-N 1 1 342.355 1.542 20 5 EDBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000261919186 139237033 /nfs/dbraw/zinc/23/70/33/139237033.db2.gz IKIRCTJCDLPFOA-AWEZNQCLSA-N 1 1 330.344 1.718 20 5 EDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000153127375 224062988 /nfs/dbraw/zinc/06/29/88/224062988.db2.gz XXFFSRWUHMXJTM-HEHGZKQESA-N 1 1 333.388 1.935 20 5 EDBDMO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261941516 296361144 /nfs/dbraw/zinc/36/11/44/296361144.db2.gz UUVXTRNZNAGWCB-QMTHXVAHSA-N 1 1 345.396 1.920 20 5 EDBDMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000493498925 255212300 /nfs/dbraw/zinc/21/23/00/255212300.db2.gz RZEOFBUHYOBFOG-ZPIQOJFGSA-N 1 1 333.388 1.571 20 5 EDBDMO C[N@H+](Cc1cccc2[nH]ccc21)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000493997931 255230680 /nfs/dbraw/zinc/23/06/80/255230680.db2.gz BQMNHGVYNAKWGH-CQSZACIVSA-N 1 1 329.360 1.766 20 5 EDBDMO COC(=O)[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000493249783 255199566 /nfs/dbraw/zinc/19/95/66/255199566.db2.gz CNAOPHIRNHOQLK-AFNCTOJWSA-N 1 1 347.371 1.171 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000118132431 221128582 /nfs/dbraw/zinc/12/85/82/221128582.db2.gz FGWXLVYDIMCBKS-UHFFFAOYSA-N 1 1 348.403 1.832 20 5 EDBDMO Cn1cc([C@H]2CCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000264149885 139383141 /nfs/dbraw/zinc/38/31/41/139383141.db2.gz ZTACIFMYFWQSDH-NVXWUHKLSA-N 1 1 346.387 1.905 20 5 EDBDMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000155193544 224374497 /nfs/dbraw/zinc/37/44/97/224374497.db2.gz CVJBAYUIWYZQSQ-RYUDHWBXSA-N 1 1 344.375 1.340 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000152997506 533311838 /nfs/dbraw/zinc/31/18/38/533311838.db2.gz HFRBWVSBPZMRNT-UHFFFAOYSA-N 1 1 348.403 1.703 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000180865352 533419628 /nfs/dbraw/zinc/41/96/28/533419628.db2.gz GHBFJDXLOUWLOL-ZDUSSCGKSA-N 1 1 349.387 1.233 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000180865352 533419632 /nfs/dbraw/zinc/41/96/32/533419632.db2.gz GHBFJDXLOUWLOL-ZDUSSCGKSA-N 1 1 349.387 1.233 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000270383170 140089893 /nfs/dbraw/zinc/08/98/93/140089893.db2.gz PVLZDBWIAUFTHD-UHFFFAOYSA-N 1 1 339.367 1.653 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000270397543 140092436 /nfs/dbraw/zinc/09/24/36/140092436.db2.gz URDGGUOWUQOMPX-UHFFFAOYSA-N 1 1 327.406 1.575 20 5 EDBDMO COc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000270479027 140107876 /nfs/dbraw/zinc/10/78/76/140107876.db2.gz AMKDVYCTOAJVNK-QWRGUYRKSA-N 1 1 327.356 1.634 20 5 EDBDMO COc1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000270479027 140107879 /nfs/dbraw/zinc/10/78/79/140107879.db2.gz AMKDVYCTOAJVNK-QWRGUYRKSA-N 1 1 327.356 1.634 20 5 EDBDMO C[NH+](C)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000270844295 140181209 /nfs/dbraw/zinc/18/12/09/140181209.db2.gz VZBQAJNFFIGOCL-UHFFFAOYSA-N 1 1 329.360 1.147 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416298089 304305413 /nfs/dbraw/zinc/30/54/13/304305413.db2.gz QLDRVILBBBVATM-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416298089 304305414 /nfs/dbraw/zinc/30/54/14/304305414.db2.gz QLDRVILBBBVATM-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271743047 140342916 /nfs/dbraw/zinc/34/29/16/140342916.db2.gz WTZOVGPQFBFYOI-KBPBESRZSA-N 1 1 349.435 1.591 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(CCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000339387147 142033758 /nfs/dbraw/zinc/03/37/58/142033758.db2.gz FRJSWPGTWPWQOG-IRXDYDNUSA-N 1 1 335.404 1.769 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)o2)cc1 ZINC000344026458 142919294 /nfs/dbraw/zinc/91/92/94/142919294.db2.gz JWLVDOSJZIBZDO-FPMFFAJLSA-N 1 1 330.344 1.848 20 5 EDBDMO CO[C@H]1C[C@H](CO)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000344704537 143000890 /nfs/dbraw/zinc/00/08/90/143000890.db2.gz HOCKYWXICYTYNR-KGLIPLIRSA-N 1 1 337.376 1.313 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000345013295 143039351 /nfs/dbraw/zinc/03/93/51/143039351.db2.gz QRPXBLMHNNWHFM-SLEUVZQESA-N 1 1 348.403 1.312 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000345396271 143086118 /nfs/dbraw/zinc/08/61/18/143086118.db2.gz HLIIIGWLOSOJQC-UHFFFAOYSA-N 1 1 326.372 1.347 20 5 EDBDMO CN(CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000345396271 143086119 /nfs/dbraw/zinc/08/61/19/143086119.db2.gz HLIIIGWLOSOJQC-UHFFFAOYSA-N 1 1 326.372 1.347 20 5 EDBDMO CO[C@H]1C[C@H](CN(C)C(=O)NCc2ccccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000346044522 143161091 /nfs/dbraw/zinc/16/10/91/143161091.db2.gz SFCMBKYXCMQMDY-KGLIPLIRSA-N 1 1 336.392 1.455 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346259933 143184499 /nfs/dbraw/zinc/18/44/99/143184499.db2.gz KGHSPBUSCBNWEI-UMVBOHGHSA-N 1 1 349.435 1.679 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C(N)=O ZINC000346585808 143219274 /nfs/dbraw/zinc/21/92/74/143219274.db2.gz MEWMKQIEDMPBTB-JOYOIKCWSA-N 1 1 331.332 1.198 20 5 EDBDMO CO[C@H]1C[C@H](CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)[N@@H+](C)C1 ZINC000346620143 143222737 /nfs/dbraw/zinc/22/27/37/143222737.db2.gz MFCGDDAOQCYTIH-CABCVRRESA-N 1 1 336.392 1.455 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)[N@@H+](C)C1 ZINC000346703139 143234691 /nfs/dbraw/zinc/23/46/91/143234691.db2.gz VUEWSKJNFFUKAG-WDEREUQCSA-N 1 1 340.355 1.107 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)n1 ZINC000346793126 143246263 /nfs/dbraw/zinc/24/62/63/143246263.db2.gz FABMQFIQUOMYKN-ONGXEEELSA-N 1 1 334.336 1.397 20 5 EDBDMO CC1=CC[N@@H+](CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000347242588 143299339 /nfs/dbraw/zinc/29/93/39/143299339.db2.gz JHNCATFMZICUEK-UHFFFAOYSA-N 1 1 332.404 1.799 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)[C@@H]2C1 ZINC000355358565 150231625 /nfs/dbraw/zinc/23/16/25/150231625.db2.gz BMKIWUSWPKVFEG-HZPDHXFCSA-N 1 1 333.388 1.838 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000355386478 150246401 /nfs/dbraw/zinc/24/64/01/150246401.db2.gz RDYPOMZPZIISTM-HOTGVXAUSA-N 1 1 333.388 1.459 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](CCO)C2)cc1[N+](=O)[O-] ZINC000355777913 150397190 /nfs/dbraw/zinc/39/71/90/150397190.db2.gz YIUYMWULAYDPEJ-LBPRGKRZSA-N 1 1 338.360 1.351 20 5 EDBDMO COc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCO)[C@H]2C)cc1[N+](=O)[O-] ZINC000356053051 150487907 /nfs/dbraw/zinc/48/79/07/150487907.db2.gz WEZIYSWADRDRBQ-YPMHNXCESA-N 1 1 337.376 1.131 20 5 EDBDMO COc1cc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000270285089 286200718 /nfs/dbraw/zinc/20/07/18/286200718.db2.gz VZQHADJUIFZCHV-PHIMTYICSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000270285089 286200719 /nfs/dbraw/zinc/20/07/19/286200719.db2.gz VZQHADJUIFZCHV-PHIMTYICSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1cc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000357190503 286195433 /nfs/dbraw/zinc/19/54/33/286195433.db2.gz RSNWAOVXBISFSW-LLVKDONJSA-N 1 1 337.376 1.778 20 5 EDBDMO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000357666115 151108667 /nfs/dbraw/zinc/10/86/67/151108667.db2.gz VTFSQJHABVMLHY-JTQLQIEISA-N 1 1 333.797 1.621 20 5 EDBDMO C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000357666115 151108670 /nfs/dbraw/zinc/10/86/70/151108670.db2.gz VTFSQJHABVMLHY-JTQLQIEISA-N 1 1 333.797 1.621 20 5 EDBDMO Cc1[nH+]c(CNC(=O)c2c(N)cccc2[N+](=O)[O-])c2n1CCCC2 ZINC000360447383 152047449 /nfs/dbraw/zinc/04/74/49/152047449.db2.gz LFJHBFPCJNDYND-UHFFFAOYSA-N 1 1 329.360 1.948 20 5 EDBDMO CNc1c(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000361205226 152334807 /nfs/dbraw/zinc/33/48/07/152334807.db2.gz VOZUSSZKZSRBJI-ZDUSSCGKSA-N 1 1 349.435 1.250 20 5 EDBDMO O=c1ccc(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000363005930 152878045 /nfs/dbraw/zinc/87/80/45/152878045.db2.gz RIUINPJEPIAPJR-UHFFFAOYSA-N 1 1 345.359 1.291 20 5 EDBDMO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc([N+](=O)[O-])c1 ZINC000364006003 153120150 /nfs/dbraw/zinc/12/01/50/153120150.db2.gz BTPIUFXMWARGSU-JKSUJKDBSA-N 1 1 333.388 1.574 20 5 EDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000367937850 154335506 /nfs/dbraw/zinc/33/55/06/154335506.db2.gz GMBBAMDASVLEEK-DOTOQJQBSA-N 1 1 333.388 1.833 20 5 EDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000367937853 154335523 /nfs/dbraw/zinc/33/55/23/154335523.db2.gz GMBBAMDASVLEEK-WBVHZDCISA-N 1 1 333.388 1.833 20 5 EDBDMO CN1C(=O)[C@H]2C[N@H+](CC=Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000369416388 155020357 /nfs/dbraw/zinc/02/03/57/155020357.db2.gz GKPYUBYYEMRTLC-YVARQFDVSA-N 1 1 330.344 1.186 20 5 EDBDMO CN1C(=O)[C@H]2C[N@@H+](CC=Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000369416388 155020361 /nfs/dbraw/zinc/02/03/61/155020361.db2.gz GKPYUBYYEMRTLC-YVARQFDVSA-N 1 1 330.344 1.186 20 5 EDBDMO CCN1C(=O)[C@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000369450693 155040233 /nfs/dbraw/zinc/04/02/33/155040233.db2.gz FSEZGALULFRQED-SMDDNHRTSA-N 1 1 332.360 1.624 20 5 EDBDMO CCN1C(=O)[C@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000369450693 155040236 /nfs/dbraw/zinc/04/02/36/155040236.db2.gz FSEZGALULFRQED-SMDDNHRTSA-N 1 1 332.360 1.624 20 5 EDBDMO CN(C[C@H]1CCc2[nH+]ccn2C1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000369545799 155080760 /nfs/dbraw/zinc/08/07/60/155080760.db2.gz KEQJUTDVGSJXMJ-LLVKDONJSA-N 1 1 329.360 1.589 20 5 EDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1 ZINC000374070459 157130079 /nfs/dbraw/zinc/13/00/79/157130079.db2.gz TZTKZZROOCUMPH-GVDBMIGSSA-N 1 1 336.388 1.835 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000374412100 157282217 /nfs/dbraw/zinc/28/22/17/157282217.db2.gz PTDDJWUDLHCJDB-STQMWFEESA-N 1 1 349.387 1.900 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000118953885 287348662 /nfs/dbraw/zinc/34/86/62/287348662.db2.gz IWPHBSUDZGAMTA-UHFFFAOYSA-N 1 1 336.392 1.241 20 5 EDBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000174369341 533684522 /nfs/dbraw/zinc/68/45/22/533684522.db2.gz JYEKVCRGSRKSID-ZDUSSCGKSA-N 1 1 349.387 1.613 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272274964 273024272 /nfs/dbraw/zinc/02/42/72/273024272.db2.gz CFWNQGBPZZPTBL-BXUZGUMPSA-N 1 1 332.360 1.086 20 5 EDBDMO O=C(NC1CC1)N[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000273899714 268090438 /nfs/dbraw/zinc/09/04/38/268090438.db2.gz BLGYPSXDQBESMM-DZGCQCFKSA-N 1 1 334.376 1.164 20 5 EDBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000273899714 268090440 /nfs/dbraw/zinc/09/04/40/268090440.db2.gz BLGYPSXDQBESMM-DZGCQCFKSA-N 1 1 334.376 1.164 20 5 EDBDMO Cc1nn(C)c(-c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)c1[N+](=O)[O-] ZINC000274147559 273072571 /nfs/dbraw/zinc/07/25/71/273072571.db2.gz YNDBNFNPPHCJSW-ZJUUUORDSA-N 1 1 334.336 1.222 20 5 EDBDMO Cc1cc(OCC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000280566327 273372013 /nfs/dbraw/zinc/37/20/13/273372013.db2.gz OHDMPJDALSFHQU-ZDUSSCGKSA-N 1 1 333.388 1.883 20 5 EDBDMO CC(=O)c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000375773670 273496403 /nfs/dbraw/zinc/49/64/03/273496403.db2.gz LMKHKNSGJZWBMC-NVXWUHKLSA-N 1 1 333.388 1.833 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000284533036 274236051 /nfs/dbraw/zinc/23/60/51/274236051.db2.gz ADBGBLQUHBOQST-ZIAGYGMSSA-N 1 1 345.359 1.016 20 5 EDBDMO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000284533036 274236052 /nfs/dbraw/zinc/23/60/52/274236052.db2.gz ADBGBLQUHBOQST-ZIAGYGMSSA-N 1 1 345.359 1.016 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000284533036 274236054 /nfs/dbraw/zinc/23/60/54/274236054.db2.gz ADBGBLQUHBOQST-ZIAGYGMSSA-N 1 1 345.359 1.016 20 5 EDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@](O)(Cn3ccnn3)C2)c1 ZINC000284606943 274262073 /nfs/dbraw/zinc/26/20/73/274262073.db2.gz QGQXOCIECUOLGG-MRXNPFEDSA-N 1 1 347.375 1.092 20 5 EDBDMO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000284699499 274299021 /nfs/dbraw/zinc/29/90/21/274299021.db2.gz QOJMMOFXDDEBFJ-IRXDYDNUSA-N 1 1 347.415 1.849 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000284847012 274357424 /nfs/dbraw/zinc/35/74/24/274357424.db2.gz QDOIPXIFSILPCR-BMFZPTHFSA-N 1 1 336.388 1.835 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000284847012 274357425 /nfs/dbraw/zinc/35/74/25/274357425.db2.gz QDOIPXIFSILPCR-BMFZPTHFSA-N 1 1 336.388 1.835 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000332348357 277151929 /nfs/dbraw/zinc/15/19/29/277151929.db2.gz YWABBUVAGRXVTE-STQMWFEESA-N 1 1 339.779 1.793 20 5 EDBDMO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359638840 277577804 /nfs/dbraw/zinc/57/78/04/277577804.db2.gz RBOABXXAUGVNMF-ZDUSSCGKSA-N 1 1 349.387 1.284 20 5 EDBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000126189024 278027325 /nfs/dbraw/zinc/02/73/25/278027325.db2.gz OHHGNTDHJBRWRF-MNOVXSKESA-N 1 1 325.390 1.498 20 5 EDBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000126189024 278027326 /nfs/dbraw/zinc/02/73/26/278027326.db2.gz OHHGNTDHJBRWRF-MNOVXSKESA-N 1 1 325.390 1.498 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1C ZINC000124585409 278865490 /nfs/dbraw/zinc/86/54/90/278865490.db2.gz SKKJEUDVMIEXMV-BETUJISGSA-N 1 1 339.417 1.727 20 5 EDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000330410329 279323008 /nfs/dbraw/zinc/32/30/08/279323008.db2.gz JLRUFQFAEADIEO-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000330410329 279323010 /nfs/dbraw/zinc/32/30/10/279323010.db2.gz JLRUFQFAEADIEO-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000359088656 280398814 /nfs/dbraw/zinc/39/88/14/280398814.db2.gz ADNMEINXJAHXOY-CQSZACIVSA-N 1 1 347.419 1.349 20 5 EDBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1(CO)CCC1 ZINC000292223400 289292697 /nfs/dbraw/zinc/29/26/97/289292697.db2.gz VDCUZICCZKYMQA-UHFFFAOYSA-N 1 1 337.332 1.109 20 5 EDBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1(CO)CCC1 ZINC000292223400 289292700 /nfs/dbraw/zinc/29/27/00/289292700.db2.gz VDCUZICCZKYMQA-UHFFFAOYSA-N 1 1 337.332 1.109 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292225328 289293421 /nfs/dbraw/zinc/29/34/21/289293421.db2.gz VGDHETGXSDMEAM-DYVFJYSZSA-N 1 1 332.404 1.949 20 5 EDBDMO Cc1cc(N2CC[NH+](CCC(=O)N(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000292356965 289324415 /nfs/dbraw/zinc/32/44/15/289324415.db2.gz CNDYSALDUIQZSO-UHFFFAOYSA-N 1 1 338.383 1.643 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000292452467 289351194 /nfs/dbraw/zinc/35/11/94/289351194.db2.gz YBPNDBAGEQXOHU-KRWDZBQOSA-N 1 1 347.371 1.534 20 5 EDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2)C1 ZINC000293888575 303034175 /nfs/dbraw/zinc/03/41/75/303034175.db2.gz GFTOORSUHOHIAK-KRWDZBQOSA-N 1 1 347.371 1.881 20 5 EDBDMO CC(C)(CCC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[N+](=O)[O-] ZINC000294473747 303112473 /nfs/dbraw/zinc/11/24/73/303112473.db2.gz CZFJUQPXADNPEP-INIZCTEOSA-N 1 1 349.431 1.700 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295011635 303162656 /nfs/dbraw/zinc/16/26/56/303162656.db2.gz PIHNNKHAJRLDHO-UHFFFAOYSA-N 1 1 349.309 1.658 20 5 EDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295634711 303245358 /nfs/dbraw/zinc/24/53/58/303245358.db2.gz ALPNGQNQTXKUAP-XVJNWHFHSA-N 1 1 333.388 1.571 20 5 EDBDMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000296284966 303307679 /nfs/dbraw/zinc/30/76/79/303307679.db2.gz UQIQOKORWXKWLN-ZDUSSCGKSA-N 1 1 348.403 1.784 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CC1 ZINC000428500365 305010374 /nfs/dbraw/zinc/01/03/74/305010374.db2.gz ZLTSEFRJSHHYCW-NSHDSACASA-N 1 1 332.360 1.215 20 5 EDBDMO COc1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000429556911 305032139 /nfs/dbraw/zinc/03/21/39/305032139.db2.gz ZMTONGXEZAHHSC-NSHDSACASA-N 1 1 338.364 1.134 20 5 EDBDMO COc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000429556911 305032140 /nfs/dbraw/zinc/03/21/40/305032140.db2.gz ZMTONGXEZAHHSC-NSHDSACASA-N 1 1 338.364 1.134 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000430705458 305062966 /nfs/dbraw/zinc/06/29/66/305062966.db2.gz ANRLKLBWBVZPMD-LBPRGKRZSA-N 1 1 344.375 1.340 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000439602331 305200899 /nfs/dbraw/zinc/20/08/99/305200899.db2.gz FTWKTGRUBXLFSZ-AWEZNQCLSA-N 1 1 346.387 1.537 20 5 EDBDMO COc1cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000444750951 305251947 /nfs/dbraw/zinc/25/19/47/305251947.db2.gz MNKDYLGOPGRHNB-GJZGRUSLSA-N 1 1 346.387 1.545 20 5 EDBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)COc1ccccc1 ZINC000444803843 305253151 /nfs/dbraw/zinc/25/31/51/305253151.db2.gz GPSMUQNONAXHOA-MRXNPFEDSA-N 1 1 348.403 1.942 20 5 EDBDMO O=C1CCC(=O)N1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552207 305353016 /nfs/dbraw/zinc/35/30/16/305353016.db2.gz WBWVJZRJPXASPF-CQSZACIVSA-N 1 1 331.372 1.923 20 5 EDBDMO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451574719 305354608 /nfs/dbraw/zinc/35/46/08/305354608.db2.gz RWXXLVCSSLASDK-AWEZNQCLSA-N 1 1 349.387 1.454 20 5 EDBDMO COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451574719 305354609 /nfs/dbraw/zinc/35/46/09/305354609.db2.gz RWXXLVCSSLASDK-AWEZNQCLSA-N 1 1 349.387 1.454 20 5 EDBDMO O=C(C[N@@H+]1CC[C@H](CCCO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452130295 305384882 /nfs/dbraw/zinc/38/48/82/305384882.db2.gz NXBANJFJUQRHJL-ZDUSSCGKSA-N 1 1 333.388 1.578 20 5 EDBDMO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619050348 450392039 /nfs/dbraw/zinc/39/20/39/450392039.db2.gz OMFJDHDXKUBUGF-LBPRGKRZSA-N 1 1 334.376 1.889 20 5 EDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619050348 450392041 /nfs/dbraw/zinc/39/20/41/450392041.db2.gz OMFJDHDXKUBUGF-LBPRGKRZSA-N 1 1 334.376 1.889 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000044532869 440852966 /nfs/dbraw/zinc/85/29/66/440852966.db2.gz GECFHBRXKMONFI-LLVKDONJSA-N 1 1 335.360 1.928 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000044571770 440857167 /nfs/dbraw/zinc/85/71/67/440857167.db2.gz CYTBFHYUQTYTBZ-CQSZACIVSA-N 1 1 343.387 1.995 20 5 EDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046036489 441072713 /nfs/dbraw/zinc/07/27/13/441072713.db2.gz DPFIHWMVQCTOOU-NWDGAFQWSA-N 1 1 325.390 1.500 20 5 EDBDMO Cc1nn(C)c(N2CC[NH+](CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000047331091 441176782 /nfs/dbraw/zinc/17/67/82/441176782.db2.gz YHDDRUBMPGOWIP-UHFFFAOYSA-N 1 1 345.403 1.838 20 5 EDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000080619121 441184358 /nfs/dbraw/zinc/18/43/58/441184358.db2.gz ODSLARBGNUINTL-NWDGAFQWSA-N 1 1 325.390 1.452 20 5 EDBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000061624072 441281795 /nfs/dbraw/zinc/28/17/95/441281795.db2.gz SLOORNDXBJGXQY-UHFFFAOYSA-N 1 1 340.343 1.602 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000106399826 441339888 /nfs/dbraw/zinc/33/98/88/441339888.db2.gz QLWGNQAHDAULLA-UHFFFAOYSA-N 1 1 337.376 1.132 20 5 EDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000081631807 441298173 /nfs/dbraw/zinc/29/81/73/441298173.db2.gz WXWCDQSMYNKJKR-CQSZACIVSA-N 1 1 346.431 1.857 20 5 EDBDMO Cc1sc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000064333907 441374036 /nfs/dbraw/zinc/37/40/36/441374036.db2.gz LJYQTZCIFSWQSI-QWRGUYRKSA-N 1 1 325.390 1.558 20 5 EDBDMO C[NH+]1CCN(CCCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000075654420 441545889 /nfs/dbraw/zinc/54/58/89/441545889.db2.gz XSUJVRZIADZULX-BQYQJAHWSA-N 1 1 346.431 1.752 20 5 EDBDMO O=[N+]([O-])c1ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000075667526 441546725 /nfs/dbraw/zinc/54/67/25/441546725.db2.gz BVUJHVKEEYMVLT-UHFFFAOYSA-N 1 1 343.391 1.404 20 5 EDBDMO CC(C)NC(=O)C[N@@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054174527 441562478 /nfs/dbraw/zinc/56/24/78/441562478.db2.gz MDUUZSZVFZDMSF-UHFFFAOYSA-N 1 1 340.449 1.689 20 5 EDBDMO CC(C)NC(=O)C[N@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054174527 441562482 /nfs/dbraw/zinc/56/24/82/441562482.db2.gz MDUUZSZVFZDMSF-UHFFFAOYSA-N 1 1 340.449 1.689 20 5 EDBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112922713 441569765 /nfs/dbraw/zinc/56/97/65/441569765.db2.gz MHTNTOSIADDKMJ-HNNXBMFYSA-N 1 1 348.447 1.527 20 5 EDBDMO O=C([C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000054886983 441605312 /nfs/dbraw/zinc/60/53/12/441605312.db2.gz LSQBOBNRFYNBJV-OAHLLOKOSA-N 1 1 333.388 1.666 20 5 EDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858646 441691960 /nfs/dbraw/zinc/69/19/60/441691960.db2.gz RZGIALXMPFDBJD-PXTSUWAFSA-N 1 1 331.372 1.587 20 5 EDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114858646 441691964 /nfs/dbraw/zinc/69/19/64/441691964.db2.gz RZGIALXMPFDBJD-PXTSUWAFSA-N 1 1 331.372 1.587 20 5 EDBDMO CNS(=O)(=O)c1ccc(NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000140024417 441832149 /nfs/dbraw/zinc/83/21/49/441832149.db2.gz LKWNCZDYCZPKOP-JTQLQIEISA-N 1 1 328.394 1.009 20 5 EDBDMO Cc1cccc(N2CCC(NC(=O)c3[nH]ncc3[N+](=O)[O-])CC2)[nH+]1 ZINC000160620322 441903375 /nfs/dbraw/zinc/90/33/75/441903375.db2.gz TWAQZAHKWNBBBR-UHFFFAOYSA-N 1 1 330.348 1.420 20 5 EDBDMO CCc1nn(C)c(NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000094132327 441906320 /nfs/dbraw/zinc/90/63/20/441906320.db2.gz LDTGAYMKDVVLGV-LBPRGKRZSA-N 1 1 325.413 1.659 20 5 EDBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000078675020 441961523 /nfs/dbraw/zinc/96/15/23/441961523.db2.gz IPWRBVUASIMRDR-AWEZNQCLSA-N 1 1 342.403 1.925 20 5 EDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000119984332 441988472 /nfs/dbraw/zinc/98/84/72/441988472.db2.gz MWXNQQYNCBZACE-AWEZNQCLSA-N 1 1 348.403 1.866 20 5 EDBDMO CCOC(=O)c1cc(N2CCC[N@@H+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000125342903 442012407 /nfs/dbraw/zinc/01/24/07/442012407.db2.gz ITWNPPJYZMSLCQ-UHFFFAOYSA-N 1 1 337.376 1.276 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000126261720 442093319 /nfs/dbraw/zinc/09/33/19/442093319.db2.gz HQKIDQSJHUOGNR-PWSUYJOCSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000126261720 442093322 /nfs/dbraw/zinc/09/33/22/442093322.db2.gz HQKIDQSJHUOGNR-PWSUYJOCSA-N 1 1 339.417 1.807 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162289256 442080873 /nfs/dbraw/zinc/08/08/73/442080873.db2.gz DGPYJRHQPDEOEX-PBHICJAKSA-N 1 1 346.431 1.894 20 5 EDBDMO Cc1nc(N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000127053079 442165933 /nfs/dbraw/zinc/16/59/33/442165933.db2.gz WLONCSZLCJZASS-OAHLLOKOSA-N 1 1 333.436 1.905 20 5 EDBDMO Cc1cccc(NC(=O)C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1C ZINC000176193988 442188623 /nfs/dbraw/zinc/18/86/23/442188623.db2.gz FCWXEIYRJIVHTH-UHFFFAOYSA-N 1 1 331.376 1.979 20 5 EDBDMO Cc1cccc(NC(=O)C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c1C ZINC000176193988 442188626 /nfs/dbraw/zinc/18/86/26/442188626.db2.gz FCWXEIYRJIVHTH-UHFFFAOYSA-N 1 1 331.376 1.979 20 5 EDBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176239186 442198369 /nfs/dbraw/zinc/19/83/69/442198369.db2.gz IAUGVYHSPKAQCQ-LLVKDONJSA-N 1 1 327.385 1.636 20 5 EDBDMO C[C@H]1C[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000164769942 442202144 /nfs/dbraw/zinc/20/21/44/442202144.db2.gz AMDOTMBBLCIKSE-JSGCOSHPSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@H]1C[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000164769942 442202146 /nfs/dbraw/zinc/20/21/46/442202146.db2.gz AMDOTMBBLCIKSE-JSGCOSHPSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@H]1C[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000164769942 442202150 /nfs/dbraw/zinc/20/21/50/442202150.db2.gz AMDOTMBBLCIKSE-JSGCOSHPSA-N 1 1 343.387 1.958 20 5 EDBDMO CNC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000170911615 442287351 /nfs/dbraw/zinc/28/73/51/442287351.db2.gz IFCVWUVMMHZDHG-HNNXBMFYSA-N 1 1 348.403 1.832 20 5 EDBDMO C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000133887518 442438355 /nfs/dbraw/zinc/43/83/55/442438355.db2.gz JZCBUJOZYNRVMQ-ZOWXZIJZSA-N 1 1 336.392 1.674 20 5 EDBDMO C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133887518 442438357 /nfs/dbraw/zinc/43/83/57/442438357.db2.gz JZCBUJOZYNRVMQ-ZOWXZIJZSA-N 1 1 336.392 1.674 20 5 EDBDMO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000179496348 442466576 /nfs/dbraw/zinc/46/65/76/442466576.db2.gz QSBGVFLWIPABIC-UHFFFAOYSA-N 1 1 343.387 1.755 20 5 EDBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192452165 442647816 /nfs/dbraw/zinc/64/78/16/442647816.db2.gz VRFZOSOICBZPAO-LBPRGKRZSA-N 1 1 325.438 1.658 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181493968 442700161 /nfs/dbraw/zinc/70/01/61/442700161.db2.gz KVCNZDIZKFDVHT-GXTWGEPZSA-N 1 1 349.435 1.869 20 5 EDBDMO Nc1nsc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000267879526 442776132 /nfs/dbraw/zinc/77/61/32/442776132.db2.gz FEMWXLXOVMOYPH-UHFFFAOYSA-N 1 1 334.405 1.393 20 5 EDBDMO C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000182965151 442856355 /nfs/dbraw/zinc/85/63/55/442856355.db2.gz MVHANBKGUDLETD-QGZVFWFLSA-N 1 1 336.436 1.198 20 5 EDBDMO CN1CCN(CCC[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000182965151 442856362 /nfs/dbraw/zinc/85/63/62/442856362.db2.gz MVHANBKGUDLETD-QGZVFWFLSA-N 1 1 336.436 1.198 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183195670 442900893 /nfs/dbraw/zinc/90/08/93/442900893.db2.gz IXPQXKTUHQVMIR-NWDGAFQWSA-N 1 1 337.376 1.635 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000183250324 442911372 /nfs/dbraw/zinc/91/13/72/442911372.db2.gz ZKXMHWDGDKWTEY-MRXNPFEDSA-N 1 1 347.415 1.974 20 5 EDBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000189443513 442954883 /nfs/dbraw/zinc/95/48/83/442954883.db2.gz DSVCCXFFZPQJGU-CYBMUJFWSA-N 1 1 349.435 1.379 20 5 EDBDMO CN(C)C(=O)CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000268392438 442973162 /nfs/dbraw/zinc/97/31/62/442973162.db2.gz MQKXXOSRMSOIGW-UHFFFAOYSA-N 1 1 341.799 1.244 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000265943425 442978985 /nfs/dbraw/zinc/97/89/85/442978985.db2.gz IPSALKUPOFBJKW-BXUZGUMPSA-N 1 1 339.367 1.911 20 5 EDBDMO COc1cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1OC ZINC000265966274 442987304 /nfs/dbraw/zinc/98/73/04/442987304.db2.gz SOSPZXFHCXUWGT-NSHDSACASA-N 1 1 349.387 1.826 20 5 EDBDMO COc1ccc(CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000189881777 443023375 /nfs/dbraw/zinc/02/33/75/443023375.db2.gz YGUXNINETRESBP-CYBMUJFWSA-N 1 1 337.420 1.880 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000184501446 443029761 /nfs/dbraw/zinc/02/97/61/443029761.db2.gz OZJAUOVEDIOVQK-UHFFFAOYSA-N 1 1 336.348 1.978 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000189958316 443037825 /nfs/dbraw/zinc/03/78/25/443037825.db2.gz JMRQIQZOJXKBIQ-ZDUSSCGKSA-N 1 1 341.433 1.832 20 5 EDBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185103607 443137333 /nfs/dbraw/zinc/13/73/33/443137333.db2.gz NCOIETUKSPPLLL-OKNBYCPDSA-N 1 1 330.406 1.033 20 5 EDBDMO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000268892553 443138934 /nfs/dbraw/zinc/13/89/34/443138934.db2.gz YMBOUWJHCONETR-OAHLLOKOSA-N 1 1 332.404 1.646 20 5 EDBDMO CCCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(N)=O ZINC000185187437 443157711 /nfs/dbraw/zinc/15/77/11/443157711.db2.gz QAXWVGLJHJELIO-UHFFFAOYSA-N 1 1 340.355 1.650 20 5 EDBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H]1c1ccccc1 ZINC000185655557 443233480 /nfs/dbraw/zinc/23/34/80/443233480.db2.gz JSGWSWYGEBJAKV-GJZGRUSLSA-N 1 1 341.371 1.747 20 5 EDBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](CCO)CCCO ZINC000385821978 319128489 /nfs/dbraw/zinc/12/84/89/319128489.db2.gz XSTMHXOFCRPJCL-UHFFFAOYSA-N 1 1 333.182 1.534 20 5 EDBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+](CCO)CCCO ZINC000385821978 319128492 /nfs/dbraw/zinc/12/84/92/319128492.db2.gz XSTMHXOFCRPJCL-UHFFFAOYSA-N 1 1 333.182 1.534 20 5 EDBDMO Cc1c(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000269281556 443265256 /nfs/dbraw/zinc/26/52/56/443265256.db2.gz AWSWBOVMSJMDPO-AWEZNQCLSA-N 1 1 335.404 1.870 20 5 EDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000264488129 443307541 /nfs/dbraw/zinc/30/75/41/443307541.db2.gz VYROIVRFMNCWQV-ZDUSSCGKSA-N 1 1 346.387 1.605 20 5 EDBDMO O=C(N1CC[N@H+]2CCC[C@H]2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272533115 443353198 /nfs/dbraw/zinc/35/31/98/443353198.db2.gz MRVYCXUCKASSTC-ZDUSSCGKSA-N 1 1 325.315 1.993 20 5 EDBDMO C[NH+]1CCN(C(=O)C2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000278760733 443428411 /nfs/dbraw/zinc/42/84/11/443428411.db2.gz SWEVXAUVLLHSAL-UHFFFAOYSA-N 1 1 347.419 1.167 20 5 EDBDMO CS[C@@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270967751 443485463 /nfs/dbraw/zinc/48/54/63/443485463.db2.gz BHHWYQCXLHXHTK-VHSXEESVSA-N 1 1 341.437 1.559 20 5 EDBDMO COC(=O)CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000272981212 443509632 /nfs/dbraw/zinc/50/96/32/443509632.db2.gz ASHYBNXMCAHTBP-ZDUSSCGKSA-N 1 1 340.376 1.608 20 5 EDBDMO NC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n[nH]1 ZINC000283132695 443534546 /nfs/dbraw/zinc/53/45/46/443534546.db2.gz NMTIXBOTUAXBBT-NSHDSACASA-N 1 1 347.350 1.936 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000273206268 443563852 /nfs/dbraw/zinc/56/38/52/443563852.db2.gz OTPJGBSVLKJEKF-HNNXBMFYSA-N 1 1 345.403 1.897 20 5 EDBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]12 ZINC000449519986 320193573 /nfs/dbraw/zinc/19/35/73/320193573.db2.gz DREHLXHQECCTCB-OKILXGFUSA-N 1 1 341.323 1.559 20 5 EDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000453981717 320275372 /nfs/dbraw/zinc/27/53/72/320275372.db2.gz SMXHCTZZICPJPB-CYBMUJFWSA-N 1 1 348.403 1.784 20 5 EDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000453981717 320275374 /nfs/dbraw/zinc/27/53/74/320275374.db2.gz SMXHCTZZICPJPB-CYBMUJFWSA-N 1 1 348.403 1.784 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000286254682 443677913 /nfs/dbraw/zinc/67/79/13/443677913.db2.gz AVMOXJFAIDMUHS-MRXNPFEDSA-N 1 1 329.360 1.337 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280852411 443758439 /nfs/dbraw/zinc/75/84/39/443758439.db2.gz YFQOVVPEQOIDLA-MRXNPFEDSA-N 1 1 334.376 1.429 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)[N@@H+](C)C1 ZINC000285005514 443817508 /nfs/dbraw/zinc/81/75/08/443817508.db2.gz ZDNVGKIVLFQANK-STQMWFEESA-N 1 1 334.376 1.887 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000299409146 444038871 /nfs/dbraw/zinc/03/88/71/444038871.db2.gz OGQARSUEHCVZEI-VXGBXAGGSA-N 1 1 343.380 1.639 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000299409146 444038878 /nfs/dbraw/zinc/03/88/78/444038878.db2.gz OGQARSUEHCVZEI-VXGBXAGGSA-N 1 1 343.380 1.639 20 5 EDBDMO Cc1ccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000548741568 320896602 /nfs/dbraw/zinc/89/66/02/320896602.db2.gz MOEPEYZDEDXSNP-LBPRGKRZSA-N 1 1 333.348 1.786 20 5 EDBDMO Cc1cc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000281894421 444033639 /nfs/dbraw/zinc/03/36/39/444033639.db2.gz YPPQUTRJVNLRGK-UHFFFAOYSA-N 1 1 334.420 1.659 20 5 EDBDMO COCCOCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000289136458 444061131 /nfs/dbraw/zinc/06/11/31/444061131.db2.gz YDXHKLWDKYMUEP-LBPRGKRZSA-N 1 1 325.365 1.517 20 5 EDBDMO COCCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000289136458 444061132 /nfs/dbraw/zinc/06/11/32/444061132.db2.gz YDXHKLWDKYMUEP-LBPRGKRZSA-N 1 1 325.365 1.517 20 5 EDBDMO CC(C)(C)n1ncnc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000563010538 321087526 /nfs/dbraw/zinc/08/75/26/321087526.db2.gz IHVKGTBSDHQNOH-ZDUSSCGKSA-N 1 1 349.391 1.471 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278106388 444097153 /nfs/dbraw/zinc/09/71/53/444097153.db2.gz RHMHNTGTQLTERO-LBPRGKRZSA-N 1 1 346.391 1.755 20 5 EDBDMO CCc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000566215257 321223131 /nfs/dbraw/zinc/22/31/31/321223131.db2.gz CNPKYHDAUAGDLQ-QWRGUYRKSA-N 1 1 327.406 1.528 20 5 EDBDMO COC(=O)[C@@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000568970622 321312773 /nfs/dbraw/zinc/31/27/73/321312773.db2.gz PLAYAILQZOWDOF-OCCSQVGLSA-N 1 1 349.387 1.262 20 5 EDBDMO COc1cccc([C@@H]2C[C@@H](O)C[N@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000282160975 444101506 /nfs/dbraw/zinc/10/15/06/444101506.db2.gz LSJWFTTVRBVZKZ-HIFRSBDPSA-N 1 1 332.360 1.608 20 5 EDBDMO C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000569521408 321328995 /nfs/dbraw/zinc/32/89/95/321328995.db2.gz FOSVNRUQMGJBGZ-SWLSCSKDSA-N 1 1 348.403 1.154 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C2(O)CC2)c([N+](=O)[O-])c1 ZINC000570259552 321342789 /nfs/dbraw/zinc/34/27/89/321342789.db2.gz VNHYVGXRTMOVEL-HNNXBMFYSA-N 1 1 349.387 1.921 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C2(O)CC2)c([N+](=O)[O-])c1 ZINC000570259552 321342791 /nfs/dbraw/zinc/34/27/91/321342791.db2.gz VNHYVGXRTMOVEL-HNNXBMFYSA-N 1 1 349.387 1.921 20 5 EDBDMO O=C(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])N1CCNCC1 ZINC000572510498 321430719 /nfs/dbraw/zinc/43/07/19/321430719.db2.gz SLYCYJGBARLXIW-GOEBONIOSA-N 1 1 346.431 1.327 20 5 EDBDMO CNC(=O)c1ccc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000294868155 444152019 /nfs/dbraw/zinc/15/20/19/444152019.db2.gz DVFFTFWIZLHBFE-GFCCVEGCSA-N 1 1 332.404 1.875 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@@H+]1CCOC[C@H]1C ZINC000301249244 444158017 /nfs/dbraw/zinc/15/80/17/444158017.db2.gz RDTLXGSHBCMSMP-VXGBXAGGSA-N 1 1 336.392 1.476 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@H+]1CCOC[C@H]1C ZINC000301249244 444158020 /nfs/dbraw/zinc/15/80/20/444158020.db2.gz RDTLXGSHBCMSMP-VXGBXAGGSA-N 1 1 336.392 1.476 20 5 EDBDMO CN(C)c1nc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000301353915 444166057 /nfs/dbraw/zinc/16/60/57/444166057.db2.gz LQAMOMXOKMHJDR-UHFFFAOYSA-N 1 1 329.364 1.172 20 5 EDBDMO COC(=O)c1cc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301399554 444169758 /nfs/dbraw/zinc/16/97/58/444169758.db2.gz HWSWAFHVPZKVFI-NEPJUHHUSA-N 1 1 337.376 1.273 20 5 EDBDMO COC(=O)c1cc(N2CC[N@@H+](CCO)[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000302482834 444214712 /nfs/dbraw/zinc/21/47/12/444214712.db2.gz XYVZBNQJWMGHDM-GFCCVEGCSA-N 1 1 337.376 1.193 20 5 EDBDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289918828 444219689 /nfs/dbraw/zinc/21/96/89/444219689.db2.gz UCINZZKNBHEOLY-XYPHTWIQSA-N 1 1 335.404 1.423 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301525789 444177363 /nfs/dbraw/zinc/17/73/63/444177363.db2.gz HOHKGIVGOQKWGB-GFCCVEGCSA-N 1 1 342.421 1.529 20 5 EDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295356243 444180342 /nfs/dbraw/zinc/18/03/42/444180342.db2.gz NQHAKRRRKHDZFQ-LLVKDONJSA-N 1 1 335.408 1.998 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295356243 444180345 /nfs/dbraw/zinc/18/03/45/444180345.db2.gz NQHAKRRRKHDZFQ-LLVKDONJSA-N 1 1 335.408 1.998 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295356243 444180346 /nfs/dbraw/zinc/18/03/46/444180346.db2.gz NQHAKRRRKHDZFQ-LLVKDONJSA-N 1 1 335.408 1.998 20 5 EDBDMO C[N@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000305709917 444274054 /nfs/dbraw/zinc/27/40/54/444274054.db2.gz XFNPXBWBKGLBCM-SJORKVTESA-N 1 1 345.403 1.141 20 5 EDBDMO CN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000305709917 444274059 /nfs/dbraw/zinc/27/40/59/444274059.db2.gz XFNPXBWBKGLBCM-SJORKVTESA-N 1 1 345.403 1.141 20 5 EDBDMO CN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000305709917 444274061 /nfs/dbraw/zinc/27/40/61/444274061.db2.gz XFNPXBWBKGLBCM-SJORKVTESA-N 1 1 345.403 1.141 20 5 EDBDMO CCc1ccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])nn3C)CC[NH2+]2)cc1 ZINC000337681335 444349449 /nfs/dbraw/zinc/34/94/49/444349449.db2.gz ZUEFQIKGKWBIPS-CQSZACIVSA-N 1 1 343.387 1.677 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000331526793 444475462 /nfs/dbraw/zinc/47/54/62/444475462.db2.gz OTVFSVGIOHNJKY-HZMBPMFUSA-N 1 1 325.390 1.356 20 5 EDBDMO CC(C)O[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000581486557 322183143 /nfs/dbraw/zinc/18/31/43/322183143.db2.gz RRDQFWLHPGHHGY-OAHLLOKOSA-N 1 1 333.388 1.983 20 5 EDBDMO CC(C)O[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000581486557 322183145 /nfs/dbraw/zinc/18/31/45/322183145.db2.gz RRDQFWLHPGHHGY-OAHLLOKOSA-N 1 1 333.388 1.983 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000343751254 444565184 /nfs/dbraw/zinc/56/51/84/444565184.db2.gz BWLRUVUBAATTJN-CQSZACIVSA-N 1 1 339.367 1.917 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000343751254 444565189 /nfs/dbraw/zinc/56/51/89/444565189.db2.gz BWLRUVUBAATTJN-CQSZACIVSA-N 1 1 339.367 1.917 20 5 EDBDMO O=C1[C@H]([N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344048886 444749861 /nfs/dbraw/zinc/74/98/61/444749861.db2.gz ZGJDMUGAIOONMU-AEAUEXCSSA-N 1 1 331.372 1.403 20 5 EDBDMO C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@H]1C ZINC000338663808 444798474 /nfs/dbraw/zinc/79/84/74/444798474.db2.gz BTXVIPSHPYGGNB-CHWSQXEVSA-N 1 1 337.424 1.906 20 5 EDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330459845 444990515 /nfs/dbraw/zinc/99/05/15/444990515.db2.gz ZZRIGYMMEXTZNN-STQMWFEESA-N 1 1 337.424 1.763 20 5 EDBDMO CC(=O)c1ccc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000339033974 444999011 /nfs/dbraw/zinc/99/90/11/444999011.db2.gz HHGJQJYDEWRUAX-CQSZACIVSA-N 1 1 348.403 1.797 20 5 EDBDMO Cn1nccc1[C@H]1[C@@H](CNc2ncc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000344486298 445004236 /nfs/dbraw/zinc/00/42/36/445004236.db2.gz ZDRRZZXDQWWANW-BXUZGUMPSA-N 1 1 331.380 1.613 20 5 EDBDMO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+]1CCOC ZINC000346586427 445218842 /nfs/dbraw/zinc/21/88/42/445218842.db2.gz LJUCIPHCMPTFHQ-ZDUSSCGKSA-N 1 1 338.408 1.506 20 5 EDBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000346655900 445221607 /nfs/dbraw/zinc/22/16/07/445221607.db2.gz MHLYIGJKLAKNDY-OLZOCXBDSA-N 1 1 342.403 2.066 20 5 EDBDMO C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[NH+]1CCN(C)CC1 ZINC000347435615 445238372 /nfs/dbraw/zinc/23/83/72/445238372.db2.gz SYDXWBJPLAFBTB-LBPRGKRZSA-N 1 1 330.392 1.586 20 5 EDBDMO COc1ccc(NC(=O)CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000356973093 445354902 /nfs/dbraw/zinc/35/49/02/445354902.db2.gz HYZMLIMHOFEIEP-RYUDHWBXSA-N 1 1 336.392 1.566 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])[C@@H]2C1 ZINC000355370799 445456379 /nfs/dbraw/zinc/45/63/79/445456379.db2.gz QSXZCMSKBYMRIK-HUUCEWRRSA-N 1 1 333.388 1.838 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362720046 445517127 /nfs/dbraw/zinc/51/71/27/445517127.db2.gz RHXDJFQXMFHTTH-JSGCOSHPSA-N 1 1 334.376 1.281 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362720046 445517130 /nfs/dbraw/zinc/51/71/30/445517130.db2.gz RHXDJFQXMFHTTH-JSGCOSHPSA-N 1 1 334.376 1.281 20 5 EDBDMO Cc1c(C[N@H+]2CCCN(CC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000363214519 445724550 /nfs/dbraw/zinc/72/45/50/445724550.db2.gz LRCJOXDWDQTEBW-UHFFFAOYSA-N 1 1 334.420 1.499 20 5 EDBDMO Cc1c(C[N@@H+]2CCCN(CC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000363214519 445724551 /nfs/dbraw/zinc/72/45/51/445724551.db2.gz LRCJOXDWDQTEBW-UHFFFAOYSA-N 1 1 334.420 1.499 20 5 EDBDMO Cc1c(CN2CCC[N@@H+](CC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000363214519 445724554 /nfs/dbraw/zinc/72/45/54/445724554.db2.gz LRCJOXDWDQTEBW-UHFFFAOYSA-N 1 1 334.420 1.499 20 5 EDBDMO Cc1c(CN2CCC[N@H+](CC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000363214519 445724555 /nfs/dbraw/zinc/72/45/55/445724555.db2.gz LRCJOXDWDQTEBW-UHFFFAOYSA-N 1 1 334.420 1.499 20 5 EDBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363325930 445767330 /nfs/dbraw/zinc/76/73/30/445767330.db2.gz MTWCKUFZVKCPNS-UONOGXRCSA-N 1 1 349.387 1.343 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000363404557 445790722 /nfs/dbraw/zinc/79/07/22/445790722.db2.gz MYFHWRFLMIVPDT-CABCVRRESA-N 1 1 339.417 1.842 20 5 EDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354019023 445857252 /nfs/dbraw/zinc/85/72/52/445857252.db2.gz ISOBXAKYRXSKCO-CYBMUJFWSA-N 1 1 348.403 1.267 20 5 EDBDMO COc1cc(OCC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000356831555 446055010 /nfs/dbraw/zinc/05/50/10/446055010.db2.gz ANRDYGQOUBGPHK-VXGBXAGGSA-N 1 1 337.376 1.533 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351493580 446097190 /nfs/dbraw/zinc/09/71/90/446097190.db2.gz LYXWTGSVCWWJOP-SNVBAGLBSA-N 1 1 340.355 1.519 20 5 EDBDMO C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373237547 446114517 /nfs/dbraw/zinc/11/45/17/446114517.db2.gz SDMWLNPQYJHHNB-NSHDSACASA-N 1 1 345.363 1.245 20 5 EDBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000373316726 446161210 /nfs/dbraw/zinc/16/12/10/446161210.db2.gz JLVMCGVULNALRY-LBPRGKRZSA-N 1 1 333.392 1.892 20 5 EDBDMO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 ZINC000366499573 446239190 /nfs/dbraw/zinc/23/91/90/446239190.db2.gz GMMAWCNPXMKXFR-LSDHHAIUSA-N 1 1 331.376 1.630 20 5 EDBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 ZINC000366499573 446239191 /nfs/dbraw/zinc/23/91/91/446239191.db2.gz GMMAWCNPXMKXFR-LSDHHAIUSA-N 1 1 331.376 1.630 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000359481293 446250222 /nfs/dbraw/zinc/25/02/22/446250222.db2.gz KRGWPCKGXZESPV-NSHDSACASA-N 1 1 325.413 1.401 20 5 EDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370425020 446272828 /nfs/dbraw/zinc/27/28/28/446272828.db2.gz QKWZKJKMQWWFIR-NFAHFFEMSA-N 1 1 331.372 1.541 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000376227524 446390784 /nfs/dbraw/zinc/39/07/84/446390784.db2.gz JGVDLWDGWBVHEY-LBPRGKRZSA-N 1 1 334.376 1.759 20 5 EDBDMO CC(C)[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411284732 446466071 /nfs/dbraw/zinc/46/60/71/446466071.db2.gz YTEKFYQVFJAAKT-HNNXBMFYSA-N 1 1 334.376 1.380 20 5 EDBDMO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411284732 446466076 /nfs/dbraw/zinc/46/60/76/446466076.db2.gz YTEKFYQVFJAAKT-HNNXBMFYSA-N 1 1 334.376 1.380 20 5 EDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COCC(F)(F)F)CC2 ZINC000432820959 446511882 /nfs/dbraw/zinc/51/18/82/446511882.db2.gz IADSKUYZSCIGBV-CYBMUJFWSA-N 1 1 334.294 1.893 20 5 EDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COCC(F)(F)F)CC2 ZINC000432820959 446511889 /nfs/dbraw/zinc/51/18/89/446511889.db2.gz IADSKUYZSCIGBV-CYBMUJFWSA-N 1 1 334.294 1.893 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000411655168 446635777 /nfs/dbraw/zinc/63/57/77/446635777.db2.gz IVQVSRXYBYPEOR-RYUDHWBXSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000420636975 446714367 /nfs/dbraw/zinc/71/43/67/446714367.db2.gz NBAMMGFCAXSXEY-SLEUVZQESA-N 1 1 332.404 1.860 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368341229 446798883 /nfs/dbraw/zinc/79/88/83/446798883.db2.gz XFOAUHUOVQTITN-ITGUQSILSA-N 1 1 335.360 1.102 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423966105 446799287 /nfs/dbraw/zinc/79/92/87/446799287.db2.gz ICRNALFZQYQIGL-MRXNPFEDSA-N 1 1 326.356 1.705 20 5 EDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000411946926 446756305 /nfs/dbraw/zinc/75/63/05/446756305.db2.gz SYXWNUVPDIDJOH-NSHDSACASA-N 1 1 335.360 1.371 20 5 EDBDMO Cc1c(NC(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000376957123 446820508 /nfs/dbraw/zinc/82/05/08/446820508.db2.gz IUAFKCPGHYEYJS-LBPRGKRZSA-N 1 1 336.392 1.824 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)c1 ZINC000375471357 446825544 /nfs/dbraw/zinc/82/55/44/446825544.db2.gz SNBDBNUKQZZETM-KRWDZBQOSA-N 1 1 330.388 1.861 20 5 EDBDMO C[C@@H]1C[C@H](CO)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000420945734 446917629 /nfs/dbraw/zinc/91/76/29/446917629.db2.gz RYFLNBQFWBKBFM-OLZOCXBDSA-N 1 1 333.388 1.434 20 5 EDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000420945734 446917637 /nfs/dbraw/zinc/91/76/37/446917637.db2.gz RYFLNBQFWBKBFM-OLZOCXBDSA-N 1 1 333.388 1.434 20 5 EDBDMO [NH3+]CC[C@@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000443057883 446999342 /nfs/dbraw/zinc/99/93/42/446999342.db2.gz IPHKHBHAXRLEEU-BBRMVZONSA-N 1 1 332.404 1.761 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000421034139 447003908 /nfs/dbraw/zinc/00/39/08/447003908.db2.gz GSYDUYWJRKHGBV-GDBMZVCRSA-N 1 1 338.404 1.819 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000444177802 447089548 /nfs/dbraw/zinc/08/95/48/447089548.db2.gz SWRBZQJGVNQCDY-UHFFFAOYSA-N 1 1 335.451 1.973 20 5 EDBDMO CC(C)(O)C[N@H+]1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000372545134 447127798 /nfs/dbraw/zinc/12/77/98/447127798.db2.gz HXGPSRZBVSRZDI-UHFFFAOYSA-N 1 1 337.420 1.752 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425499507 447195393 /nfs/dbraw/zinc/19/53/93/447195393.db2.gz JGMYRRVCJKSWHY-WFASDCNBSA-N 1 1 344.375 1.850 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425499507 447195395 /nfs/dbraw/zinc/19/53/95/447195395.db2.gz JGMYRRVCJKSWHY-WFASDCNBSA-N 1 1 344.375 1.850 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[N@H+](C3CCOCC3)CC2)c1 ZINC000372728379 447251662 /nfs/dbraw/zinc/25/16/62/447251662.db2.gz QJSHUDLEWBJPBB-SFHVURJKSA-N 1 1 349.431 1.815 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)n1 ZINC000427379579 447589529 /nfs/dbraw/zinc/58/95/29/447589529.db2.gz LERGJEFIGWWIBC-UHFFFAOYSA-N 1 1 344.375 1.477 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000427637264 447627100 /nfs/dbraw/zinc/62/71/00/447627100.db2.gz FXQRAWXEPRSFHA-CYBMUJFWSA-N 1 1 335.408 1.615 20 5 EDBDMO CCOC(=O)c1cc(N2CC[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000450958394 447634605 /nfs/dbraw/zinc/63/46/05/447634605.db2.gz VVLPNIZHKKWETE-LBPRGKRZSA-N 1 1 337.376 1.274 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000451269422 447720961 /nfs/dbraw/zinc/72/09/61/447720961.db2.gz SVCLBGBQSSFMFV-HZPDHXFCSA-N 1 1 334.351 1.591 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000451269422 447720966 /nfs/dbraw/zinc/72/09/66/447720966.db2.gz SVCLBGBQSSFMFV-HZPDHXFCSA-N 1 1 334.351 1.591 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@](O)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000451431647 447731889 /nfs/dbraw/zinc/73/18/89/447731889.db2.gz NLRBMCAUGQTDRW-HNNXBMFYSA-N 1 1 343.330 1.934 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452072708 447810736 /nfs/dbraw/zinc/81/07/36/447810736.db2.gz XONLNOVQDGWEEL-WOPDTQHZSA-N 1 1 337.376 1.633 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452072708 447810737 /nfs/dbraw/zinc/81/07/37/447810737.db2.gz XONLNOVQDGWEEL-WOPDTQHZSA-N 1 1 337.376 1.633 20 5 EDBDMO COCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000489421522 447856097 /nfs/dbraw/zinc/85/60/97/447856097.db2.gz CPLSKVQUSJZQPR-FZMZJTMJSA-N 1 1 337.376 1.320 20 5 EDBDMO COCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000489421522 447856100 /nfs/dbraw/zinc/85/61/00/447856100.db2.gz CPLSKVQUSJZQPR-FZMZJTMJSA-N 1 1 337.376 1.320 20 5 EDBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000569902835 447911884 /nfs/dbraw/zinc/91/18/84/447911884.db2.gz DJILGTMSKOXJNS-SNVBAGLBSA-N 1 1 327.331 1.874 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@H+]1C ZINC000525104923 447969367 /nfs/dbraw/zinc/96/93/67/447969367.db2.gz HPKHPWVKGSUFSP-QWRGUYRKSA-N 1 1 335.360 1.579 20 5 EDBDMO C[C@@H](C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000554616653 448044311 /nfs/dbraw/zinc/04/43/11/448044311.db2.gz JALRSMCMJIHZCW-CQSZACIVSA-N 1 1 348.447 1.841 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[N@H+]1C1CC1 ZINC000531243885 448045311 /nfs/dbraw/zinc/04/53/11/448045311.db2.gz MGLRVSLMRMTTHH-NXEZZACHSA-N 1 1 333.344 1.679 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000532196864 448215050 /nfs/dbraw/zinc/21/50/50/448215050.db2.gz GONWLCQMUKWCTE-NWDGAFQWSA-N 1 1 340.405 1.095 20 5 EDBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000591054323 448245107 /nfs/dbraw/zinc/24/51/07/448245107.db2.gz WMLITAURTRDXDE-LZWOXQAQSA-N 1 1 345.399 1.577 20 5 EDBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000572143654 448300209 /nfs/dbraw/zinc/30/02/09/448300209.db2.gz IZNJMVRKAWLLKV-LLVKDONJSA-N 1 1 337.376 1.825 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000591756099 448482481 /nfs/dbraw/zinc/48/24/81/448482481.db2.gz MZTNLNUGNGVQBQ-CHWSQXEVSA-N 1 1 332.360 1.725 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000591839016 448502776 /nfs/dbraw/zinc/50/27/76/448502776.db2.gz FKEQRMRIFIDOLG-CQSZACIVSA-N 1 1 345.359 1.810 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000591839016 448502790 /nfs/dbraw/zinc/50/27/90/448502790.db2.gz FKEQRMRIFIDOLG-CQSZACIVSA-N 1 1 345.359 1.810 20 5 EDBDMO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000537718574 448568863 /nfs/dbraw/zinc/56/88/63/448568863.db2.gz LIYKIYJDZZPPAX-NSHDSACASA-N 1 1 349.391 1.294 20 5 EDBDMO COc1cc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c1OC ZINC000518396220 448674132 /nfs/dbraw/zinc/67/41/32/448674132.db2.gz ADDGBMFRBSFYKK-UHFFFAOYSA-N 1 1 337.376 1.778 20 5 EDBDMO COc1cc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c1OC ZINC000518396220 448674139 /nfs/dbraw/zinc/67/41/39/448674139.db2.gz ADDGBMFRBSFYKK-UHFFFAOYSA-N 1 1 337.376 1.778 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000541819317 448695695 /nfs/dbraw/zinc/69/56/95/448695695.db2.gz MUYQYOULZIRLMJ-CYBMUJFWSA-N 1 1 341.433 1.832 20 5 EDBDMO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000592154715 448714895 /nfs/dbraw/zinc/71/48/95/448714895.db2.gz RFLKVERUDQESHW-ZYHUDNBSSA-N 1 1 331.166 1.861 20 5 EDBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592196157 448734588 /nfs/dbraw/zinc/73/45/88/448734588.db2.gz AOGAUSOSTFCPMX-TZMCWYRMSA-N 1 1 338.360 1.220 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586756912 448800020 /nfs/dbraw/zinc/80/00/20/448800020.db2.gz GGUGCXUDZJWGOP-AWEZNQCLSA-N 1 1 343.387 1.960 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000574210854 448818316 /nfs/dbraw/zinc/81/83/16/448818316.db2.gz PNTQXJWNRQJSMA-QGZVFWFLSA-N 1 1 343.387 1.723 20 5 EDBDMO O=C1NC(=O)[C@]2(CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)N1 ZINC000588611080 448903164 /nfs/dbraw/zinc/90/31/64/448903164.db2.gz VJEJJSZDIUBVMF-QQNRWZHASA-N 1 1 330.344 1.282 20 5 EDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000579976448 448929039 /nfs/dbraw/zinc/92/90/39/448929039.db2.gz KIYQMHZXTMSQQW-GMXVVIOVSA-N 1 1 333.392 1.374 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000589107780 448969617 /nfs/dbraw/zinc/96/96/17/448969617.db2.gz 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ZINC000600070103 449171495 /nfs/dbraw/zinc/17/14/95/449171495.db2.gz WVXNZNNCMKIDJV-UHFFFAOYSA-N 1 1 348.403 1.376 20 5 EDBDMO C[C@@H]1[C@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000593188778 449164248 /nfs/dbraw/zinc/16/42/48/449164248.db2.gz POHLZDGQQSNQBM-MJBXVCDLSA-N 1 1 334.420 1.971 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000590442599 449164362 /nfs/dbraw/zinc/16/43/62/449164362.db2.gz GHEPYOJEOPBYAX-HZMBPMFUSA-N 1 1 333.344 1.158 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000590444166 449165511 /nfs/dbraw/zinc/16/55/11/449165511.db2.gz LSLCEARHWJYNOX-YMTOWFKASA-N 1 1 325.315 1.578 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590443631 449165955 /nfs/dbraw/zinc/16/59/55/449165955.db2.gz LFJNVTODRMRVBN-WBMJQRKESA-N 1 1 330.388 1.945 20 5 EDBDMO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@H]2O1 ZINC000593117492 449143849 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VCUIIKVBWNLAPR-QWRGUYRKSA-N 1 1 325.344 1.070 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000610239963 450158213 /nfs/dbraw/zinc/15/82/13/450158213.db2.gz OEMMJMGOJDFYLS-HZPDHXFCSA-N 1 1 333.388 1.574 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599694437 450158683 /nfs/dbraw/zinc/15/86/83/450158683.db2.gz UCEZXQOPDDDOHO-CQSZACIVSA-N 1 1 341.433 1.399 20 5 EDBDMO C[N@H+]1C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000599696914 450159762 /nfs/dbraw/zinc/15/97/62/450159762.db2.gz LUYHDAAXHKQPIG-CVEARBPZSA-N 1 1 343.387 1.253 20 5 EDBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263703 450175383 /nfs/dbraw/zinc/17/53/83/450175383.db2.gz BFMZIDYPDWDPSY-GFCCVEGCSA-N 1 1 342.421 1.533 20 5 EDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000610484785 450239508 /nfs/dbraw/zinc/23/95/08/450239508.db2.gz CRHZFBSMILQYCC-UHFFFAOYSA-N 1 1 343.387 1.816 20 5 EDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cnc[nH]1 ZINC000595592806 450251315 /nfs/dbraw/zinc/25/13/15/450251315.db2.gz QSKFKPCZYQRMSI-UHFFFAOYSA-N 1 1 331.332 1.748 20 5 EDBDMO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1c[nH]cn1 ZINC000595592806 450251328 /nfs/dbraw/zinc/25/13/28/450251328.db2.gz QSKFKPCZYQRMSI-UHFFFAOYSA-N 1 1 331.332 1.748 20 5 EDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1c[nH]cn1 ZINC000595592806 450251335 /nfs/dbraw/zinc/25/13/35/450251335.db2.gz QSKFKPCZYQRMSI-UHFFFAOYSA-N 1 1 331.332 1.748 20 5 EDBDMO Cn1ncc2c1nc(C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)[nH]c2=O ZINC000619785156 450333295 /nfs/dbraw/zinc/33/32/95/450333295.db2.gz FKGBGOJHQRMGBM-UHFFFAOYSA-N 1 1 342.359 1.652 20 5 EDBDMO Cn1ncc2c1nc(C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)[nH]c2=O ZINC000619785156 450333298 /nfs/dbraw/zinc/33/32/98/450333298.db2.gz FKGBGOJHQRMGBM-UHFFFAOYSA-N 1 1 342.359 1.652 20 5 EDBDMO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000610907188 450377816 /nfs/dbraw/zinc/37/78/16/450377816.db2.gz CEBLLYUFBUBMEO-DOMZBBRYSA-N 1 1 335.404 1.708 20 5 EDBDMO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610907188 450377821 /nfs/dbraw/zinc/37/78/21/450377821.db2.gz CEBLLYUFBUBMEO-DOMZBBRYSA-N 1 1 335.404 1.708 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000619481330 450485391 /nfs/dbraw/zinc/48/53/91/450485391.db2.gz GAKRJSPQONLBHO-ZDUSSCGKSA-N 1 1 336.440 1.700 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000619481330 450485393 /nfs/dbraw/zinc/48/53/93/450485393.db2.gz GAKRJSPQONLBHO-ZDUSSCGKSA-N 1 1 336.440 1.700 20 5 EDBDMO COC[C@@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602638233 486497273 /nfs/dbraw/zinc/49/72/73/486497273.db2.gz OLIRPJXPDQVZRE-ZCFIWIBFSA-N 1 1 325.184 1.516 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459648021 486636789 /nfs/dbraw/zinc/63/67/89/486636789.db2.gz BPDTXTPUVWMFOU-IJEWVQPXSA-N 1 1 348.399 1.835 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000184324471 533915130 /nfs/dbraw/zinc/91/51/30/533915130.db2.gz PVRQQXMCZOWTRK-GFCCVEGCSA-N 1 1 338.383 1.490 20 5 EDBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000188006996 534264460 /nfs/dbraw/zinc/26/44/60/534264460.db2.gz KCNHMFKPMUKKGZ-KEYYUXOJSA-N 1 1 338.404 1.817 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174163090 534721285 /nfs/dbraw/zinc/72/12/85/534721285.db2.gz DODRJTSAUYGQKP-LLVKDONJSA-N 1 1 325.390 1.451 20 5 EDBDMO CCC[N@@H+](CC)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174671688 527975622 /nfs/dbraw/zinc/97/56/22/527975622.db2.gz WXWNMYIGWZHUOK-UHFFFAOYSA-N 1 1 346.387 1.898 20 5 EDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000161101345 529092929 /nfs/dbraw/zinc/09/29/29/529092929.db2.gz KAMNVGWERVJHSH-AWEZNQCLSA-N 1 1 341.433 1.541 20 5 EDBDMO CN(C(=O)C[NH+]1CCC(CC(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000077168548 535983755 /nfs/dbraw/zinc/98/37/55/535983755.db2.gz GRVPNKMEAAPHNI-UHFFFAOYSA-N 1 1 334.376 1.145 20 5 EDBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000107284721 536355472 /nfs/dbraw/zinc/35/54/72/536355472.db2.gz KQSRXGKIGHJPND-CYBMUJFWSA-N 1 1 336.392 1.430 20 5 EDBDMO CNS(=O)(=O)c1ccc(NCC[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000742426849 579451812 /nfs/dbraw/zinc/45/18/12/579451812.db2.gz CLAPOBIWBIWFFA-NSHDSACASA-N 1 1 342.421 1.399 20 5 EDBDMO O=C(CN1CC[NH+](C2CC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000742600257 579456379 /nfs/dbraw/zinc/45/63/79/579456379.db2.gz JCUJIUCPODWNHQ-UHFFFAOYSA-N 1 1 338.795 1.967 20 5 EDBDMO Cc1cn(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)[nH+]1 ZINC000760179126 580025204 /nfs/dbraw/zinc/02/52/04/580025204.db2.gz KFBHOQBTYHKZIX-UHFFFAOYSA-N 1 1 343.387 1.757 20 5 EDBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000732042789 578688215 /nfs/dbraw/zinc/68/82/15/578688215.db2.gz FUGMRCBRGQIZFN-CQSZACIVSA-N 1 1 330.388 1.771 20 5 EDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H](C)[NH+]1CCOCC1 ZINC000736139718 578956451 /nfs/dbraw/zinc/95/64/51/578956451.db2.gz QTKOQTQGUPDQLS-MNOVXSKESA-N 1 1 347.379 1.296 20 5 EDBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736292177 578974618 /nfs/dbraw/zinc/97/46/18/578974618.db2.gz IOBMGJIVYABFOU-AAEUAGOBSA-N 1 1 343.391 1.838 20 5 EDBDMO CNC(=O)c1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000746656188 579605441 /nfs/dbraw/zinc/60/54/41/579605441.db2.gz UQZKNCWJIFQPDD-UHFFFAOYSA-N 1 1 343.387 1.816 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000755135497 579920987 /nfs/dbraw/zinc/92/09/87/579920987.db2.gz CONONOYEMLPUPS-ZDUSSCGKSA-N 1 1 341.433 1.974 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000765930639 580153821 /nfs/dbraw/zinc/15/38/21/580153821.db2.gz QFYYKMHREUUFQH-STQMWFEESA-N 1 1 345.403 1.886 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000769229028 580231691 /nfs/dbraw/zinc/23/16/91/580231691.db2.gz TUPPCESVAUYMBN-MRXNPFEDSA-N 1 1 336.388 1.900 20 5 EDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771510080 580288199 /nfs/dbraw/zinc/28/81/99/580288199.db2.gz RJVWGFJSPVVFBE-NSHDSACASA-N 1 1 347.400 1.814 20 5 EDBDMO CCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000776578533 580421926 /nfs/dbraw/zinc/42/19/26/580421926.db2.gz GIFFEGVDGNMUCP-GJZGRUSLSA-N 1 1 342.417 1.527 20 5 EDBDMO CCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000776578533 580421927 /nfs/dbraw/zinc/42/19/27/580421927.db2.gz GIFFEGVDGNMUCP-GJZGRUSLSA-N 1 1 342.417 1.527 20 5 EDBDMO C/C(=C/C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000781677515 580554359 /nfs/dbraw/zinc/55/43/59/580554359.db2.gz VLIYBJTXIPXBLJ-OWBHPGMISA-N 1 1 347.415 1.913 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@H+]1C ZINC000781989268 580562715 /nfs/dbraw/zinc/56/27/15/580562715.db2.gz FZINRLKRJFMQSB-XHBSWPGZSA-N 1 1 346.387 1.687 20 5 EDBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000785734147 580651633 /nfs/dbraw/zinc/65/16/33/580651633.db2.gz QKAXVEANNLIKBT-VXGBXAGGSA-N 1 1 335.360 1.949 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794633018 580900930 /nfs/dbraw/zinc/90/09/30/580900930.db2.gz KFCBSJFNVGCOJF-OLZOCXBDSA-N 1 1 346.387 1.876 20 5 EDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C[C@@H]21 ZINC000794970349 580909472 /nfs/dbraw/zinc/90/94/72/580909472.db2.gz YIVCLSOSYKIZPW-VIKVFOODSA-N 1 1 347.371 1.583 20 5 EDBDMO COc1ccc(C)cc1C[NH+]1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000891587982 591137654 /nfs/dbraw/zinc/13/76/54/591137654.db2.gz KBIGLKYKGVYHAD-UHFFFAOYSA-N 1 1 345.403 1.968 20 5 EDBDMO C[C@@H]1[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895740922 591262788 /nfs/dbraw/zinc/26/27/88/591262788.db2.gz USLOCWMESZZQJQ-PWSUYJOCSA-N 1 1 342.421 1.350 20 5 EDBDMO COc1ccc(CC(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000898492101 591377870 /nfs/dbraw/zinc/37/78/70/591377870.db2.gz QZHBJYPSJBVHEW-CYBMUJFWSA-N 1 1 339.367 1.696 20 5 EDBDMO COc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000898492101 591377875 /nfs/dbraw/zinc/37/78/75/591377875.db2.gz QZHBJYPSJBVHEW-CYBMUJFWSA-N 1 1 339.367 1.696 20 5 EDBDMO O=[N+]([O-])c1c(NC[C@@H]2CC[N@H+]2C2CCOCC2)nc2sccn21 ZINC000896515386 591487693 /nfs/dbraw/zinc/48/76/93/591487693.db2.gz BYUBYRAWCBFEQM-NSHDSACASA-N 1 1 337.405 1.969 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1C ZINC000896708632 591588794 /nfs/dbraw/zinc/58/87/94/591588794.db2.gz VOYWXHQPGDWOTD-ZDUSSCGKSA-N 1 1 348.447 1.825 20 5 EDBDMO O=[N+]([O-])c1cc(CO)c(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1F ZINC000897219253 591773296 /nfs/dbraw/zinc/77/32/96/591773296.db2.gz JXOGDRFJRJVHJA-UONOGXRCSA-N 1 1 339.367 1.262 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903028839 592108755 /nfs/dbraw/zinc/10/87/55/592108755.db2.gz XYJJCUAJWHGABG-ZDUSSCGKSA-N 1 1 329.360 1.950 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903028838 592109032 /nfs/dbraw/zinc/10/90/32/592109032.db2.gz XYJJCUAJWHGABG-CYBMUJFWSA-N 1 1 329.360 1.950 20 5 EDBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900807679 592130608 /nfs/dbraw/zinc/13/06/08/592130608.db2.gz UYRHEHJLRCZUBC-WBMJQRKESA-N 1 1 349.435 1.025 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000908282124 592423160 /nfs/dbraw/zinc/42/31/60/592423160.db2.gz SMQQEZPIKQMMCI-UHFFFAOYSA-N 1 1 336.392 1.425 20 5 EDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000912023091 593053251 /nfs/dbraw/zinc/05/32/51/593053251.db2.gz CSAONSUCLUQTEC-BETUJISGSA-N 1 1 349.387 1.727 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(Cn3ncc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000840084713 593147206 /nfs/dbraw/zinc/14/72/06/593147206.db2.gz XFWIQPKDQHIDOF-DLBZAZTESA-N 1 1 345.403 1.697 20 5 EDBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000808160106 593231168 /nfs/dbraw/zinc/23/11/68/593231168.db2.gz NBZGUOYJPMTLQJ-NWDGAFQWSA-N 1 1 339.779 1.529 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000840133917 593250763 /nfs/dbraw/zinc/25/07/63/593250763.db2.gz UUTVBPWESUJURZ-HIFRSBDPSA-N 1 1 328.376 1.447 20 5 EDBDMO O=C1[C@H]2CCC[C@@H]2CN1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000840057632 593434207 /nfs/dbraw/zinc/43/42/07/593434207.db2.gz BHOBQCALAJGEKD-OCCSQVGLSA-N 1 1 333.392 1.644 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840335016 593572693 /nfs/dbraw/zinc/57/26/93/593572693.db2.gz MGMYNDKTEKBOPQ-ARFHVFGLSA-N 1 1 332.404 1.560 20 5 EDBDMO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840335016 593572694 /nfs/dbraw/zinc/57/26/94/593572694.db2.gz MGMYNDKTEKBOPQ-ARFHVFGLSA-N 1 1 332.404 1.560 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840335016 593572695 /nfs/dbraw/zinc/57/26/95/593572695.db2.gz MGMYNDKTEKBOPQ-ARFHVFGLSA-N 1 1 332.404 1.560 20 5 EDBDMO CCn1nc(C)c(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000819379188 593752588 /nfs/dbraw/zinc/75/25/88/593752588.db2.gz DKCRGZRBRXYNLM-LBPRGKRZSA-N 1 1 335.364 1.044 20 5 EDBDMO C[NH+](C)[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000823765369 593853951 /nfs/dbraw/zinc/85/39/51/593853951.db2.gz LKVCCCQEBALPGS-DZGCQCFKSA-N 1 1 333.344 1.640 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625105 593885462 /nfs/dbraw/zinc/88/54/62/593885462.db2.gz FWMKIMYPCVTROE-RISCZKNCSA-N 1 1 343.391 1.695 20 5 EDBDMO CC(C)C[N@H+]1CCC[C@@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000824261177 593969792 /nfs/dbraw/zinc/96/97/92/593969792.db2.gz DDDPUVORHVTHRA-LLVKDONJSA-N 1 1 346.395 1.702 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CN(C)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821268630 594003327 /nfs/dbraw/zinc/00/33/27/594003327.db2.gz YSFAZGJOFUEOPK-SNVBAGLBSA-N 1 1 332.368 1.090 20 5 EDBDMO COCC[N@@H+](C)C[C@@H](O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821391298 594035658 /nfs/dbraw/zinc/03/56/58/594035658.db2.gz JFMIBLXURMKZIE-CQSZACIVSA-N 1 1 345.827 1.619 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000823084608 594150665 /nfs/dbraw/zinc/15/06/65/594150665.db2.gz CDCYYQYAUZZXCY-UHFFFAOYSA-N 1 1 333.388 1.616 20 5 EDBDMO O=C(NC1CC([NH+]2CCOCC2)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000823627413 594222785 /nfs/dbraw/zinc/22/27/85/594222785.db2.gz MZYRFTIQSUOLNI-MHVXSEJMSA-N 1 1 345.399 1.678 20 5 EDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000827739227 594268842 /nfs/dbraw/zinc/26/88/42/594268842.db2.gz LQAHCSUKYVMSKV-QWRGUYRKSA-N 1 1 338.383 1.965 20 5 EDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000827739227 594268843 /nfs/dbraw/zinc/26/88/43/594268843.db2.gz LQAHCSUKYVMSKV-QWRGUYRKSA-N 1 1 338.383 1.965 20 5 EDBDMO C[N@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)CC2 ZINC000826033547 594311140 /nfs/dbraw/zinc/31/11/40/594311140.db2.gz GUSFWROATOIPJT-UHFFFAOYSA-N 1 1 343.391 1.840 20 5 EDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000843757074 595179090 /nfs/dbraw/zinc/17/90/90/595179090.db2.gz IYIBZFVHLCOFLU-UHFFFAOYSA-N 1 1 338.383 1.410 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1F ZINC000867352139 595322444 /nfs/dbraw/zinc/32/24/44/595322444.db2.gz LGGPIWYULYSYKP-MFKMUULPSA-N 1 1 343.380 1.367 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1F ZINC000867352139 595322446 /nfs/dbraw/zinc/32/24/46/595322446.db2.gz LGGPIWYULYSYKP-MFKMUULPSA-N 1 1 343.380 1.367 20 5 EDBDMO C[C@@H]1CCOCC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483308 595391350 /nfs/dbraw/zinc/39/13/50/595391350.db2.gz BXOOBLRJEZGWEK-CZUORRHYSA-N 1 1 333.388 1.979 20 5 EDBDMO C[C@@H]1CCOCC[N@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483308 595391353 /nfs/dbraw/zinc/39/13/53/595391353.db2.gz BXOOBLRJEZGWEK-CZUORRHYSA-N 1 1 333.388 1.979 20 5 EDBDMO CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000855360547 595685456 /nfs/dbraw/zinc/68/54/56/595685456.db2.gz HDDOZUXMDMNOBF-CYBMUJFWSA-N 1 1 335.360 1.339 20 5 EDBDMO C[C@@]12COC[C@H]1C[N@@H+](Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000853565379 595806197 /nfs/dbraw/zinc/80/61/97/595806197.db2.gz DYVFYQRKSXIWJF-CZUORRHYSA-N 1 1 329.360 1.779 20 5 EDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000853588555 595817462 /nfs/dbraw/zinc/81/74/62/595817462.db2.gz FCWWUFBVPZDGBT-IGCXYCKISA-N 1 1 347.371 1.458 20 5 EDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000853588555 595817464 /nfs/dbraw/zinc/81/74/64/595817464.db2.gz FCWWUFBVPZDGBT-IGCXYCKISA-N 1 1 347.371 1.458 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000858686446 595864643 /nfs/dbraw/zinc/86/46/43/595864643.db2.gz DDNJGQKURYPALV-LBPRGKRZSA-N 1 1 349.416 1.956 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000858686446 595864646 /nfs/dbraw/zinc/86/46/46/595864646.db2.gz DDNJGQKURYPALV-LBPRGKRZSA-N 1 1 349.416 1.956 20 5 EDBDMO C[C@]1(CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000859833746 596205729 /nfs/dbraw/zinc/20/57/29/596205729.db2.gz XGKNMLISHVPIPQ-GASCZTMLSA-N 1 1 339.348 1.316 20 5 EDBDMO C[C@]1(CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000859833746 596205730 /nfs/dbraw/zinc/20/57/30/596205730.db2.gz XGKNMLISHVPIPQ-GASCZTMLSA-N 1 1 339.348 1.316 20 5 EDBDMO Cc1c[nH+]cn1CC(=O)OCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000859951459 596233178 /nfs/dbraw/zinc/23/31/78/596233178.db2.gz RNOZUBZHFSFXOR-UHFFFAOYSA-N 1 1 332.316 1.590 20 5 EDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCCF)CC1 ZINC000862113070 596242044 /nfs/dbraw/zinc/24/20/44/596242044.db2.gz FONDSWSBXJRLLQ-UHFFFAOYSA-N 1 1 328.319 1.434 20 5 EDBDMO Cc1c(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cccc1[N+](=O)[O-] ZINC000866711016 596303777 /nfs/dbraw/zinc/30/37/77/596303777.db2.gz ZPNMKJLWLVKLDN-IMJJTQAJSA-N 1 1 346.387 1.270 20 5 EDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000862629008 596367084 /nfs/dbraw/zinc/36/70/84/596367084.db2.gz LWGZXDARGJPWIH-GFCCVEGCSA-N 1 1 333.392 1.709 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC2C[NH+](C)C2)cc1F ZINC000867512493 596405673 /nfs/dbraw/zinc/40/56/73/596405673.db2.gz WFULJJHFBHRHLA-UHFFFAOYSA-N 1 1 331.369 1.224 20 5 EDBDMO C[C@@H]1C[C@@H](N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@H+]1C ZINC000863504835 596603908 /nfs/dbraw/zinc/60/39/08/596603908.db2.gz YYFFWVJTKZRNAZ-BTJLNZGRSA-N 1 1 346.387 1.845 20 5 EDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000869778762 596630373 /nfs/dbraw/zinc/63/03/73/596630373.db2.gz JIFSYFJTFOXHBI-JTQLQIEISA-N 1 1 341.795 1.823 20 5 EDBDMO Cc1cc(Cc2noc([C@@H](C)N3CC[NH2+]CC3=O)n2)ccc1[N+](=O)[O-] ZINC000863664137 596649353 /nfs/dbraw/zinc/64/93/53/596649353.db2.gz RKDIYQNLGAPMBI-LLVKDONJSA-N 1 1 345.359 1.370 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000866121220 596796241 /nfs/dbraw/zinc/79/62/41/596796241.db2.gz NSEWGFFSOPRAGL-KGLIPLIRSA-N 1 1 336.392 1.162 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206001 596827039 /nfs/dbraw/zinc/82/70/39/596827039.db2.gz PXHAXXKYABGXKW-YPMHNXCESA-N 1 1 334.376 1.697 20 5 EDBDMO Cc1ccc(CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000868422981 596831748 /nfs/dbraw/zinc/83/17/48/596831748.db2.gz CNYOBOGEJYGNSA-SWLSCSKDSA-N 1 1 336.392 1.422 20 5 EDBDMO Cc1ccc(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000868422981 596831750 /nfs/dbraw/zinc/83/17/50/596831750.db2.gz CNYOBOGEJYGNSA-SWLSCSKDSA-N 1 1 336.392 1.422 20 5 EDBDMO O=C1N(C[N@H+]2C[C@@H]3COC[C@@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000872786293 597067337 /nfs/dbraw/zinc/06/73/37/597067337.db2.gz XKGZTVLRBHONMD-BETUJISGSA-N 1 1 332.360 1.373 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000874851149 597201694 /nfs/dbraw/zinc/20/16/94/597201694.db2.gz ZNJIZSPSSMPGLM-HUUCEWRRSA-N 1 1 346.387 1.020 20 5 EDBDMO C[C@]12C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@]1(C)C(=O)NC2=O ZINC000877668046 597546465 /nfs/dbraw/zinc/54/64/65/597546465.db2.gz MTPKUYRYPNJTOL-GASCZTMLSA-N 1 1 337.763 1.733 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](n3ccnn3)CC2)cc1 ZINC000878941016 597761992 /nfs/dbraw/zinc/76/19/92/597761992.db2.gz JLFMYKGXDQXUGW-GOEBONIOSA-N 1 1 331.376 1.947 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259224 597885758 /nfs/dbraw/zinc/88/57/58/597885758.db2.gz NZIVCTRWXFLXLR-ZDUSSCGKSA-N 1 1 330.392 1.705 20 5 EDBDMO CO[C@H]1CC[C@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000879323388 597886426 /nfs/dbraw/zinc/88/64/26/597886426.db2.gz PJVKSKSXUPUHIF-WFASDCNBSA-N 1 1 333.388 1.983 20 5 EDBDMO CO[C@H]1CC[C@H](C)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000879323388 597886428 /nfs/dbraw/zinc/88/64/28/597886428.db2.gz PJVKSKSXUPUHIF-WFASDCNBSA-N 1 1 333.388 1.983 20 5 EDBDMO CO[C@@H]1COCC[C@H]1[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000880427114 597929435 /nfs/dbraw/zinc/92/94/35/597929435.db2.gz BNKWIHQSZBHGOL-HUUCEWRRSA-N 1 1 337.376 1.577 20 5 EDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000880427114 597929437 /nfs/dbraw/zinc/92/94/37/597929437.db2.gz BNKWIHQSZBHGOL-HUUCEWRRSA-N 1 1 337.376 1.577 20 5 EDBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000916598307 696684847 /nfs/dbraw/zinc/68/48/47/696684847.db2.gz VGSBLDKJIUBDRQ-CYBMUJFWSA-N 1 1 349.387 1.233 20 5 EDBDMO CCN1CC[NH+]([C@H](C)CNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000917067971 696907513 /nfs/dbraw/zinc/90/75/13/696907513.db2.gz GFINKMNUPLNGRU-LLVKDONJSA-N 1 1 334.380 1.569 20 5 EDBDMO Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940107636 700219656 /nfs/dbraw/zinc/21/96/56/700219656.db2.gz LTMFYKMAGLYSOB-UKRRQHHQSA-N 1 1 332.404 1.526 20 5 EDBDMO Cc1cnoc1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001032097225 698661696 /nfs/dbraw/zinc/66/16/96/698661696.db2.gz SAHWPZCHRNRTCV-UHFFFAOYSA-N 1 1 330.344 1.753 20 5 EDBDMO Cc1nnccc1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031815982 699521520 /nfs/dbraw/zinc/52/15/20/699521520.db2.gz SAVBGHMFICEGHZ-UHFFFAOYSA-N 1 1 341.371 1.555 20 5 EDBDMO Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001034645992 710322414 /nfs/dbraw/zinc/32/24/14/710322414.db2.gz YYLNFMKAIOQEKR-HBJVGIJOSA-N 1 1 338.433 1.634 20 5 EDBDMO CCC[N@@H+](CC)C[C@H](C)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000558603470 306240764 /nfs/dbraw/zinc/24/07/64/306240764.db2.gz WEZNXYJUSZRVLB-NSHDSACASA-N 1 1 344.437 1.775 20 5 EDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000558693661 306244563 /nfs/dbraw/zinc/24/45/63/306244563.db2.gz DABYHJXZOQBMTR-ZFWWWQNUSA-N 1 1 335.404 1.613 20 5 EDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@@H]1O ZINC000181473872 529961300 /nfs/dbraw/zinc/96/13/00/529961300.db2.gz GCIJHZHTEMIRNX-KMFMINBZSA-N 1 1 338.404 1.817 20 5 EDBDMO COc1cc(OCC(=O)NCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000101953163 219175267 /nfs/dbraw/zinc/17/52/67/219175267.db2.gz KFMDHIOKHZFSQS-UHFFFAOYSA-N 1 1 325.365 1.439 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000066105778 215013461 /nfs/dbraw/zinc/01/34/61/215013461.db2.gz DFBRMMSNANOSHR-SNVBAGLBSA-N 1 1 331.419 1.515 20 5 EDBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000104076233 219346211 /nfs/dbraw/zinc/34/62/11/219346211.db2.gz LDHDSMAXWRCJPD-CMPLNLGQSA-N 1 1 345.359 1.731 20 5 EDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000069008476 215353079 /nfs/dbraw/zinc/35/30/79/215353079.db2.gz CTIAHIOMIKXTEX-SECBINFHSA-N 1 1 335.339 1.887 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104659611 219402296 /nfs/dbraw/zinc/40/22/96/219402296.db2.gz WXYAZZTZSLJHMB-VXGBXAGGSA-N 1 1 336.392 1.476 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@H]2C1 ZINC000345565204 283155487 /nfs/dbraw/zinc/15/54/87/283155487.db2.gz HHDGIRBIKYQPIA-LSDHHAIUSA-N 1 1 344.371 1.621 20 5 EDBDMO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cn(-c2ccccc2)nn1 ZINC000130993491 138351113 /nfs/dbraw/zinc/35/11/13/138351113.db2.gz GLJVJGFVVFORPW-LBPRGKRZSA-N 1 1 327.348 1.723 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186943724 236073124 /nfs/dbraw/zinc/07/31/24/236073124.db2.gz ROJJNGUWFCKPNX-GFCCVEGCSA-N 1 1 336.392 1.937 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000367325326 283349833 /nfs/dbraw/zinc/34/98/33/283349833.db2.gz CFWFZGANEQZBDJ-CQSZACIVSA-N 1 1 333.392 1.096 20 5 EDBDMO Cc1cc([N+](=O)[O-])cn(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1=O ZINC000414135126 304101850 /nfs/dbraw/zinc/10/18/50/304101850.db2.gz DEMJUHAXWLXBIG-KRWDZBQOSA-N 1 1 343.383 1.484 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000072639606 216286615 /nfs/dbraw/zinc/28/66/15/216286615.db2.gz IGDBLYKREDENLU-OLZOCXBDSA-N 1 1 346.387 1.537 20 5 EDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000109966996 220005913 /nfs/dbraw/zinc/00/59/13/220005913.db2.gz UQDPWQSPDMSDLP-HNNXBMFYSA-N 1 1 348.403 1.315 20 5 EDBDMO [NH3+]Cc1cn([C@@H]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000415103281 304160237 /nfs/dbraw/zinc/16/02/37/304160237.db2.gz DASXZVMCHCODDJ-QQNRWZHASA-N 1 1 342.403 1.995 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[C@H](C[N@@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000078583712 217080340 /nfs/dbraw/zinc/08/03/40/217080340.db2.gz OYVZTRKKHAWMCB-GFCCVEGCSA-N 1 1 336.392 1.945 20 5 EDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079652179 217246358 /nfs/dbraw/zinc/24/63/58/217246358.db2.gz OMRATMMHTSPKSY-CYBMUJFWSA-N 1 1 345.403 1.988 20 5 EDBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000111352915 220144006 /nfs/dbraw/zinc/14/40/06/220144006.db2.gz CGCVFSCIPHGWJZ-LBPRGKRZSA-N 1 1 345.396 1.887 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246241786 139100667 /nfs/dbraw/zinc/10/06/67/139100667.db2.gz GFYKBAAPBKGQGE-IAQYHMDHSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246241786 139100668 /nfs/dbraw/zinc/10/06/68/139100668.db2.gz GFYKBAAPBKGQGE-IAQYHMDHSA-N 1 1 337.376 1.635 20 5 EDBDMO CN(CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000248202174 139159571 /nfs/dbraw/zinc/15/95/71/139159571.db2.gz ZATCUUUXSMFCBW-LSDHHAIUSA-N 1 1 346.431 1.974 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249169285 139188301 /nfs/dbraw/zinc/18/83/01/139188301.db2.gz KWURKPLPQJZXTL-GXTWGEPZSA-N 1 1 348.403 1.783 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000249134720 139187089 /nfs/dbraw/zinc/18/70/89/139187089.db2.gz VHRSDHJMIVHZOS-ZWNOBZJWSA-N 1 1 335.360 1.325 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000249134720 139187090 /nfs/dbraw/zinc/18/70/90/139187090.db2.gz VHRSDHJMIVHZOS-ZWNOBZJWSA-N 1 1 335.360 1.325 20 5 EDBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000252653467 139204812 /nfs/dbraw/zinc/20/48/12/139204812.db2.gz YUTLEQNQQDEYKU-QLFBSQMISA-N 1 1 340.424 1.678 20 5 EDBDMO [NH3+]CC(F)(F)CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417711225 251237942 /nfs/dbraw/zinc/23/79/42/251237942.db2.gz DVZUVGCYTMNVQE-UHFFFAOYSA-N 1 1 330.335 1.811 20 5 EDBDMO O=C(C[NH+]1C[C@@H]2CCC[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000152826054 224016422 /nfs/dbraw/zinc/01/64/22/224016422.db2.gz CRZTVWOZXRLARH-QWRGUYRKSA-N 1 1 333.344 1.994 20 5 EDBDMO CCCC[N@@H+](C)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000112310083 220298658 /nfs/dbraw/zinc/29/86/58/220298658.db2.gz ATFXKFVKSXTCTA-UHFFFAOYSA-N 1 1 337.376 1.843 20 5 EDBDMO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCOC[C@H]3C2)c(Br)c1 ZINC000363781043 285174940 /nfs/dbraw/zinc/17/49/40/285174940.db2.gz WTMQPCVGQULFLZ-SNVBAGLBSA-N 1 1 343.181 1.273 20 5 EDBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCOC[C@H]3C2)c(Br)c1 ZINC000363781043 285174947 /nfs/dbraw/zinc/17/49/47/285174947.db2.gz WTMQPCVGQULFLZ-SNVBAGLBSA-N 1 1 343.181 1.273 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000488606988 255046412 /nfs/dbraw/zinc/04/64/12/255046412.db2.gz KSEZRRGZDBEAQZ-OAHLLOKOSA-N 1 1 348.403 1.640 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000488606988 255046414 /nfs/dbraw/zinc/04/64/14/255046414.db2.gz KSEZRRGZDBEAQZ-OAHLLOKOSA-N 1 1 348.403 1.640 20 5 EDBDMO [NH3+]CC(F)(F)CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000570459037 306543398 /nfs/dbraw/zinc/54/33/98/306543398.db2.gz YBXPIQAZRKRLKB-UHFFFAOYSA-N 1 1 343.330 1.949 20 5 EDBDMO C[C@@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)CS(C)(=O)=O ZINC000119265731 221279702 /nfs/dbraw/zinc/27/97/02/221279702.db2.gz CCSXXMDEEDBROY-RYUDHWBXSA-N 1 1 342.421 1.157 20 5 EDBDMO C[C@@H](C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)CS(C)(=O)=O ZINC000119265731 221279705 /nfs/dbraw/zinc/27/97/05/221279705.db2.gz CCSXXMDEEDBROY-RYUDHWBXSA-N 1 1 342.421 1.157 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000270361262 140086003 /nfs/dbraw/zinc/08/60/03/140086003.db2.gz JDLHBKRUDIZYLY-UHFFFAOYSA-N 1 1 335.404 1.822 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000331416886 141022089 /nfs/dbraw/zinc/02/20/89/141022089.db2.gz AGCMNJRLXIBXTL-WCQYABFASA-N 1 1 339.417 1.664 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000331416886 141022090 /nfs/dbraw/zinc/02/20/90/141022090.db2.gz AGCMNJRLXIBXTL-WCQYABFASA-N 1 1 339.417 1.664 20 5 EDBDMO C[NH+](C)CC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000331925601 141098974 /nfs/dbraw/zinc/09/89/74/141098974.db2.gz HYALWBISHITKOA-UHFFFAOYSA-N 1 1 331.376 1.885 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(OCCO)CC3)o2)cc1 ZINC000339780875 142153993 /nfs/dbraw/zinc/15/39/93/142153993.db2.gz RPBRZSBBJKYRKW-UHFFFAOYSA-N 1 1 348.359 1.618 20 5 EDBDMO CO[C@H]1C[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[N@@H+](C)C1 ZINC000345792905 143134175 /nfs/dbraw/zinc/13/41/75/143134175.db2.gz YPCPYPYTZCDXIB-HOTGVXAUSA-N 1 1 333.388 1.805 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346188345 143176988 /nfs/dbraw/zinc/17/69/88/143176988.db2.gz JDCKQSLOKICLLK-DZKIICNBSA-N 1 1 337.420 1.749 20 5 EDBDMO CCN1C[C@H](C)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346188345 143176989 /nfs/dbraw/zinc/17/69/89/143176989.db2.gz JDCKQSLOKICLLK-DZKIICNBSA-N 1 1 337.420 1.749 20 5 EDBDMO CCN1C[C@H](C)[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346188345 143176990 /nfs/dbraw/zinc/17/69/90/143176990.db2.gz JDCKQSLOKICLLK-DZKIICNBSA-N 1 1 337.420 1.749 20 5 EDBDMO Cc1noc([C@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000346269928 143185727 /nfs/dbraw/zinc/18/57/27/143185727.db2.gz MSZXLRGDRIPVRI-LBPRGKRZSA-N 1 1 331.332 1.375 20 5 EDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000347089981 143281468 /nfs/dbraw/zinc/28/14/68/143281468.db2.gz IOEARXCNPYVNBO-CQSZACIVSA-N 1 1 349.431 1.788 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000347138785 143286789 /nfs/dbraw/zinc/28/67/89/143286789.db2.gz UZSLZPJVTPHOFC-MRXNPFEDSA-N 1 1 346.431 1.547 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000347138785 143286790 /nfs/dbraw/zinc/28/67/90/143286790.db2.gz UZSLZPJVTPHOFC-MRXNPFEDSA-N 1 1 346.431 1.547 20 5 EDBDMO CNc1c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000348589985 143444470 /nfs/dbraw/zinc/44/44/70/143444470.db2.gz VPVNSFNJWXLIOH-KGLIPLIRSA-N 1 1 334.376 1.182 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000354929700 150038232 /nfs/dbraw/zinc/03/82/32/150038232.db2.gz MPEIKSRQWATARI-CQSZACIVSA-N 1 1 336.344 1.103 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000354929700 150038234 /nfs/dbraw/zinc/03/82/34/150038234.db2.gz MPEIKSRQWATARI-CQSZACIVSA-N 1 1 336.344 1.103 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc(OC)c3[N+](=O)[O-])[C@H]2C1 ZINC000355387836 150247771 /nfs/dbraw/zinc/24/77/71/150247771.db2.gz VBUQXHJSAYMRBK-UONOGXRCSA-N 1 1 349.387 1.539 20 5 EDBDMO CN1CCc2nc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)sc2C1 ZINC000355621931 150341095 /nfs/dbraw/zinc/34/10/95/150341095.db2.gz OBLOHYWIQKBHDC-UHFFFAOYSA-N 1 1 334.357 1.997 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000357837103 151167501 /nfs/dbraw/zinc/16/75/01/151167501.db2.gz KFBBXSMNCUXQAQ-NWDGAFQWSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000357837103 151167503 /nfs/dbraw/zinc/16/75/03/151167503.db2.gz KFBBXSMNCUXQAQ-NWDGAFQWSA-N 1 1 337.376 1.635 20 5 EDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000358331307 151339334 /nfs/dbraw/zinc/33/93/34/151339334.db2.gz DLFRRVOELCLBJJ-LBPRGKRZSA-N 1 1 325.413 1.726 20 5 EDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000360881228 152239752 /nfs/dbraw/zinc/23/97/52/152239752.db2.gz NUYUOKMCYJMOLT-UHFFFAOYSA-N 1 1 334.376 1.008 20 5 EDBDMO CNS(=O)(=O)c1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000361065548 152293516 /nfs/dbraw/zinc/29/35/16/152293516.db2.gz KTRHDMZADZEYJQ-MNOVXSKESA-N 1 1 342.421 1.398 20 5 EDBDMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000361377837 152376820 /nfs/dbraw/zinc/37/68/20/152376820.db2.gz KUQJTZNGZSPGRM-CABCVRRESA-N 1 1 349.435 1.965 20 5 EDBDMO O=C1NCCN1[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000363636497 153018705 /nfs/dbraw/zinc/01/87/05/153018705.db2.gz BXJKRGXYDNYMCB-OAHLLOKOSA-N 1 1 348.403 1.853 20 5 EDBDMO CN(C(=O)[C@H]1CC1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000364061240 153135866 /nfs/dbraw/zinc/13/58/66/153135866.db2.gz YWAZTWGBQYTNTI-HOTGVXAUSA-N 1 1 332.404 1.212 20 5 EDBDMO Cc1cccc(NC2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)[nH+]1 ZINC000367402263 154106513 /nfs/dbraw/zinc/10/65/13/154106513.db2.gz JTDMPQIGWWICGD-UHFFFAOYSA-N 1 1 344.375 1.748 20 5 EDBDMO Cc1nn(CCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC000367837373 154290612 /nfs/dbraw/zinc/29/06/12/154290612.db2.gz WZNMHVNHWXFKBD-YIONKMFJSA-N 1 1 349.435 1.882 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491924533 292333782 /nfs/dbraw/zinc/33/37/82/292333782.db2.gz JNDRNVYWJARPKZ-ALCCZGGFSA-N 1 1 339.367 1.832 20 5 EDBDMO CC[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000373812789 157017075 /nfs/dbraw/zinc/01/70/75/157017075.db2.gz RFDJMUYNSJUNRR-BRWVUGGUSA-N 1 1 336.388 1.898 20 5 EDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000373812789 157017076 /nfs/dbraw/zinc/01/70/76/157017076.db2.gz RFDJMUYNSJUNRR-BRWVUGGUSA-N 1 1 336.388 1.898 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000374412880 157282257 /nfs/dbraw/zinc/28/22/57/157282257.db2.gz WDQZXWREGRJUIS-CABCVRRESA-N 1 1 345.399 1.842 20 5 EDBDMO 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ZINC000378304057 275020428 /nfs/dbraw/zinc/02/04/28/275020428.db2.gz FWROXSAVEFMIDT-DOMZBBRYSA-N 1 1 329.356 1.959 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000451269420 275042010 /nfs/dbraw/zinc/04/20/10/275042010.db2.gz SVCLBGBQSSFMFV-CVEARBPZSA-N 1 1 334.351 1.591 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000451269420 275042011 /nfs/dbraw/zinc/04/20/11/275042011.db2.gz SVCLBGBQSSFMFV-CVEARBPZSA-N 1 1 334.351 1.591 20 5 EDBDMO C[N@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000371270169 277193914 /nfs/dbraw/zinc/19/39/14/277193914.db2.gz YCWMOKHHUVWZRW-GDBMZVCRSA-N 1 1 326.356 1.817 20 5 EDBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CC(=O)N(C)c4ccc([N+](=O)[O-])cc4)[C@H]1[C@H]3C2 ZINC000286494669 288019675 /nfs/dbraw/zinc/01/96/75/288019675.db2.gz MAZLLFMCWRLRJA-LMVJKFGMSA-N 1 1 345.399 1.913 20 5 EDBDMO C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1[NH+]1CCOCC1 ZINC000347411575 278818556 /nfs/dbraw/zinc/81/85/56/278818556.db2.gz ISHJRDUTAYKODW-IUODEOHRSA-N 1 1 343.387 1.695 20 5 EDBDMO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070076984 288240441 /nfs/dbraw/zinc/24/04/41/288240441.db2.gz VCPPINKMQUKIDD-DTORHVGOSA-N 1 1 333.797 1.619 20 5 EDBDMO Cc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)nc(C)[nH+]1 ZINC000287447884 288240446 /nfs/dbraw/zinc/24/04/46/288240446.db2.gz LHHVOQOOPWRMBN-UHFFFAOYSA-N 1 1 345.363 1.124 20 5 EDBDMO CC[C@@H](C)[N@@H+](CCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000287465069 288243891 /nfs/dbraw/zinc/24/38/91/288243891.db2.gz RLGQVGOUYNHGEM-SNVBAGLBSA-N 1 1 339.348 1.355 20 5 EDBDMO COc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000288629094 288531652 /nfs/dbraw/zinc/53/16/52/288531652.db2.gz SJGIRCVHWZCABS-GXSJLCMTSA-N 1 1 344.389 1.135 20 5 EDBDMO Cc1cc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc(N2CCCC2)[nH+]1 ZINC000290594046 288922148 /nfs/dbraw/zinc/92/21/48/288922148.db2.gz QZQUTDNDMFWUTC-UHFFFAOYSA-N 1 1 344.375 1.411 20 5 EDBDMO COCC[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000291322983 289037637 /nfs/dbraw/zinc/03/76/37/289037637.db2.gz UVWBQUKPRUHIBF-UONOGXRCSA-N 1 1 340.376 1.072 20 5 EDBDMO COCC[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000291322983 289037640 /nfs/dbraw/zinc/03/76/40/289037640.db2.gz UVWBQUKPRUHIBF-UONOGXRCSA-N 1 1 340.376 1.072 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292119268 289265718 /nfs/dbraw/zinc/26/57/18/289265718.db2.gz WLZWQDUTSMLLHV-OAHLLOKOSA-N 1 1 339.417 1.620 20 5 EDBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000340907517 289994887 /nfs/dbraw/zinc/99/48/87/289994887.db2.gz XLWSNXLLSVNZJP-RWMBFGLXSA-N 1 1 348.403 1.358 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493420391 447325571 /nfs/dbraw/zinc/32/55/71/447325571.db2.gz NZXHYKPHJHKZGQ-JLVOYYQZSA-N 1 1 333.388 1.522 20 5 EDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000294298647 303088579 /nfs/dbraw/zinc/08/85/79/303088579.db2.gz VQSBBPOEYAPITJ-KRWDZBQOSA-N 1 1 333.388 1.918 20 5 EDBDMO NC(=O)[C@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294674261 303135613 /nfs/dbraw/zinc/13/56/13/303135613.db2.gz SADNRMNQXAHRHI-LBPRGKRZSA-N 1 1 333.266 1.036 20 5 EDBDMO NC(=O)[C@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294674261 303135615 /nfs/dbraw/zinc/13/56/15/303135615.db2.gz SADNRMNQXAHRHI-LBPRGKRZSA-N 1 1 333.266 1.036 20 5 EDBDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000295152920 303180655 /nfs/dbraw/zinc/18/06/55/303180655.db2.gz MFRWEDDMXOSGFT-HNNXBMFYSA-N 1 1 326.324 1.745 20 5 EDBDMO COC(=O)Cc1ccc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000296675914 303330910 /nfs/dbraw/zinc/33/09/10/303330910.db2.gz AOCOXZBEPVNEJO-CVEARBPZSA-N 1 1 349.387 1.220 20 5 EDBDMO CS(=O)(=O)c1cc(N2CC[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000302764589 303733430 /nfs/dbraw/zinc/73/34/30/303733430.db2.gz LEFRJELSIVTAIS-UHFFFAOYSA-N 1 1 325.390 1.283 20 5 EDBDMO CN(C)c1nc(N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000302820714 303735824 /nfs/dbraw/zinc/73/58/24/303735824.db2.gz PQGIBHXBWXCMHU-UHFFFAOYSA-N 1 1 346.366 1.917 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000421819638 304815907 /nfs/dbraw/zinc/81/59/07/304815907.db2.gz IENGAOMVMUGHEC-UHFFFAOYSA-N 1 1 329.356 1.637 20 5 EDBDMO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000429562482 305032250 /nfs/dbraw/zinc/03/22/50/305032250.db2.gz KVRKLANIBHYZIF-MYODQAERSA-N 1 1 339.417 1.766 20 5 EDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000429562482 305032251 /nfs/dbraw/zinc/03/22/51/305032251.db2.gz KVRKLANIBHYZIF-MYODQAERSA-N 1 1 339.417 1.766 20 5 EDBDMO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000429788779 305037093 /nfs/dbraw/zinc/03/70/93/305037093.db2.gz QQOHPUFVCAKZOJ-QWHCGFSZSA-N 1 1 345.359 1.649 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430942997 305069875 /nfs/dbraw/zinc/06/98/75/305069875.db2.gz NTSKOUNOGFIBEF-WCQYABFASA-N 1 1 336.392 1.601 20 5 EDBDMO Cc1cccc(NCCNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[nH+]1 ZINC000434237189 305119447 /nfs/dbraw/zinc/11/94/47/305119447.db2.gz OCAQCTCKYUSGBJ-UHFFFAOYSA-N 1 1 332.364 1.987 20 5 EDBDMO Cc1cc(C(=O)N2CCC([N@H+](C)C[C@@H](C)O)CC2)cc([N+](=O)[O-])c1 ZINC000444351009 305246595 /nfs/dbraw/zinc/24/65/95/305246595.db2.gz GLJWQESQIAODKI-CYBMUJFWSA-N 1 1 335.404 1.820 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1 ZINC000451305892 305337929 /nfs/dbraw/zinc/33/79/29/305337929.db2.gz XBEFKFPCRUOIRQ-UNEWFSDZSA-N 1 1 336.388 1.835 20 5 EDBDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451404459 305343914 /nfs/dbraw/zinc/34/39/14/305343914.db2.gz GKXLRLKGCYKUTQ-SCVCMEIPSA-N 1 1 336.314 1.815 20 5 EDBDMO CNc1c(C(=O)NC[C@H]2CCCC[N@H+]2CCO)cccc1[N+](=O)[O-] ZINC000452376043 305395047 /nfs/dbraw/zinc/39/50/47/305395047.db2.gz KEOHIPWHODDIRS-GFCCVEGCSA-N 1 1 336.392 1.213 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452385047 305396076 /nfs/dbraw/zinc/39/60/76/305396076.db2.gz STIRQWYCMFHUNM-ZDUSSCGKSA-N 1 1 339.367 1.239 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000539774578 306036550 /nfs/dbraw/zinc/03/65/50/306036550.db2.gz UYJXCUHSGISBLK-CYBMUJFWSA-N 1 1 349.387 1.613 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000539774578 306036551 /nfs/dbraw/zinc/03/65/51/306036551.db2.gz UYJXCUHSGISBLK-CYBMUJFWSA-N 1 1 349.387 1.613 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000080433758 441169242 /nfs/dbraw/zinc/16/92/42/441169242.db2.gz RRXZVEHZTNJQGL-OAHLLOKOSA-N 1 1 335.429 1.787 20 5 EDBDMO C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000062120946 441297508 /nfs/dbraw/zinc/29/75/08/441297508.db2.gz OANOOIUNBGNDBF-CHWSQXEVSA-N 1 1 348.403 1.770 20 5 EDBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000106547866 441354248 /nfs/dbraw/zinc/35/42/48/441354248.db2.gz BOKJMJWYLFTKOP-CYBMUJFWSA-N 1 1 335.408 1.030 20 5 EDBDMO COC(=O)c1cc(C(=O)NCCn2cc[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000052192774 441440976 /nfs/dbraw/zinc/44/09/76/441440976.db2.gz PYHZRZKMPDESSA-UHFFFAOYSA-N 1 1 332.316 1.316 20 5 EDBDMO CC(=O)NCC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052848722 441480875 /nfs/dbraw/zinc/48/08/75/441480875.db2.gz MMSYXYIFEGPXQC-GFCCVEGCSA-N 1 1 348.403 1.770 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000075889908 441564342 /nfs/dbraw/zinc/56/43/42/441564342.db2.gz JUFVKDZBYNTGPT-MRXNPFEDSA-N 1 1 335.404 1.900 20 5 EDBDMO CNC(=O)c1ccc(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000090146480 441622933 /nfs/dbraw/zinc/62/29/33/441622933.db2.gz AGUMCEWVOIJKCC-ZIAGYGMSSA-N 1 1 348.403 1.620 20 5 EDBDMO CNC(=O)c1ccc(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000090146480 441622937 /nfs/dbraw/zinc/62/29/37/441622937.db2.gz AGUMCEWVOIJKCC-ZIAGYGMSSA-N 1 1 348.403 1.620 20 5 EDBDMO C[NH+]1CCC(N(Cc2ccccc2F)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000068113788 441734568 /nfs/dbraw/zinc/73/45/68/441734568.db2.gz ODUCXBOVMWAHJC-ZBFHGGJFSA-N 1 1 335.379 1.914 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CC3CCC3)CC2)c1 ZINC000173463537 441758071 /nfs/dbraw/zinc/75/80/71/441758071.db2.gz ZRMNFAVWYFGYLZ-UHFFFAOYSA-N 1 1 339.417 1.701 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000115579794 441759960 /nfs/dbraw/zinc/75/99/60/441759960.db2.gz PLMNGHMNJITMQH-CYBMUJFWSA-N 1 1 341.433 1.913 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115586048 441762086 /nfs/dbraw/zinc/76/20/86/441762086.db2.gz TXJCBEMWTQPRFA-CYBMUJFWSA-N 1 1 341.433 1.866 20 5 EDBDMO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000077450582 441782950 /nfs/dbraw/zinc/78/29/50/441782950.db2.gz BJWHRQHLGDPDIW-HNNXBMFYSA-N 1 1 346.431 1.694 20 5 EDBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000122944159 441869181 /nfs/dbraw/zinc/86/91/81/441869181.db2.gz ASTOHUQYNNTQEB-UHFFFAOYSA-N 1 1 334.420 1.693 20 5 EDBDMO C[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000069440359 441936631 /nfs/dbraw/zinc/93/66/31/441936631.db2.gz BYVKGKKHLULLGD-GFCCVEGCSA-N 1 1 336.392 1.756 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000078583637 441947138 /nfs/dbraw/zinc/94/71/38/441947138.db2.gz HWVKZLGQDHGGCC-LLVKDONJSA-N 1 1 342.421 1.020 20 5 EDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000150798600 441952875 /nfs/dbraw/zinc/95/28/75/441952875.db2.gz QDEIQMFQDURCPJ-NSHDSACASA-N 1 1 343.405 1.366 20 5 EDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000150798600 441952884 /nfs/dbraw/zinc/95/28/84/441952884.db2.gz QDEIQMFQDURCPJ-NSHDSACASA-N 1 1 343.405 1.366 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175273701 442029918 /nfs/dbraw/zinc/02/99/18/442029918.db2.gz XDCBZKPKZRNCAN-NWDGAFQWSA-N 1 1 334.376 1.509 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175273701 442029925 /nfs/dbraw/zinc/02/99/25/442029925.db2.gz XDCBZKPKZRNCAN-NWDGAFQWSA-N 1 1 334.376 1.509 20 5 EDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000151295349 442038539 /nfs/dbraw/zinc/03/85/39/442038539.db2.gz CDZISTZNQBIQDJ-AWEZNQCLSA-N 1 1 331.376 1.883 20 5 EDBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000162409095 442091067 /nfs/dbraw/zinc/09/10/67/442091067.db2.gz NGUFRRGGKJXSPF-CYBMUJFWSA-N 1 1 338.433 1.395 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(C2CC2)CC1 ZINC000126081512 442077134 /nfs/dbraw/zinc/07/71/34/442077134.db2.gz AIZLLDAZDHQRQO-UHFFFAOYSA-N 1 1 348.403 1.712 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000151806360 442123434 /nfs/dbraw/zinc/12/34/34/442123434.db2.gz MCIWOYYHAASPGW-ZDUSSCGKSA-N 1 1 341.433 1.746 20 5 EDBDMO Cc1c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000120762030 442128492 /nfs/dbraw/zinc/12/84/92/442128492.db2.gz QRPFDAJFKRXXBK-DGCLKSJQSA-N 1 1 348.403 1.783 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000079914655 442096920 /nfs/dbraw/zinc/09/69/20/442096920.db2.gz IJNMRNBCGWUNTN-LLVKDONJSA-N 1 1 331.376 1.975 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000128110428 442245830 /nfs/dbraw/zinc/24/58/30/442245830.db2.gz BCCIDTKMLJGUFZ-ZDUSSCGKSA-N 1 1 343.387 1.995 20 5 EDBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000128456657 442267609 /nfs/dbraw/zinc/26/76/09/442267609.db2.gz FLNFBTKYAVXRNC-OLZOCXBDSA-N 1 1 337.351 1.717 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000128456657 442267614 /nfs/dbraw/zinc/26/76/14/442267614.db2.gz FLNFBTKYAVXRNC-OLZOCXBDSA-N 1 1 337.351 1.717 20 5 EDBDMO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128582663 442276570 /nfs/dbraw/zinc/27/65/70/442276570.db2.gz BIFWWGRDMPCLBZ-SNVBAGLBSA-N 1 1 333.385 1.743 20 5 EDBDMO COc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177066035 442292973 /nfs/dbraw/zinc/29/29/73/442292973.db2.gz AKYBXDAUSVHFIY-GHMZBOCLSA-N 1 1 349.387 1.967 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000191953604 442546718 /nfs/dbraw/zinc/54/67/18/442546718.db2.gz LWTYTJXUJHJGFE-CYBMUJFWSA-N 1 1 341.433 1.832 20 5 EDBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1[N+](=O)[O-] ZINC000179193994 442595232 /nfs/dbraw/zinc/59/52/32/442595232.db2.gz NVEKRAMCGRGMOQ-UHFFFAOYSA-N 1 1 332.316 1.797 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1[N+](=O)[O-] ZINC000179193994 442595235 /nfs/dbraw/zinc/59/52/35/442595235.db2.gz NVEKRAMCGRGMOQ-UHFFFAOYSA-N 1 1 332.316 1.797 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000186959834 442636436 /nfs/dbraw/zinc/63/64/36/442636436.db2.gz XJYHKWHKOHFISD-NPQIQWPPSA-N 1 1 347.415 1.912 20 5 EDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180546639 442620542 /nfs/dbraw/zinc/62/05/42/442620542.db2.gz KAZYOGFPTWCGHB-GRYCIOLGSA-N 1 1 335.408 1.668 20 5 EDBDMO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000181399973 442694679 /nfs/dbraw/zinc/69/46/79/442694679.db2.gz ONEGGRADGAOQFX-CQSZACIVSA-N 1 1 345.359 1.124 20 5 EDBDMO C[C@H]1CC[C@](CO)([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000187931797 442699107 /nfs/dbraw/zinc/69/91/07/442699107.db2.gz DAILSIVPJJDSLB-UGSOOPFHSA-N 1 1 347.415 1.967 20 5 EDBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182081334 442733805 /nfs/dbraw/zinc/73/38/05/442733805.db2.gz SGYBJQQPUDOWNC-CYBMUJFWSA-N 1 1 335.360 1.736 20 5 EDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182081334 442733808 /nfs/dbraw/zinc/73/38/08/442733808.db2.gz SGYBJQQPUDOWNC-CYBMUJFWSA-N 1 1 335.360 1.736 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)c(Cl)c1 ZINC000194136210 442850615 /nfs/dbraw/zinc/85/06/15/442850615.db2.gz WRDLNXDHIFVJPR-UHFFFAOYSA-N 1 1 333.797 1.622 20 5 EDBDMO COc1cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000268176140 442884677 /nfs/dbraw/zinc/88/46/77/442884677.db2.gz KSBFJEMDSJFBJU-GXFFZTMASA-N 1 1 349.387 1.825 20 5 EDBDMO CN(CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000247472339 442855658 /nfs/dbraw/zinc/85/56/58/442855658.db2.gz JJBXTKHNSJOYOA-MRXNPFEDSA-N 1 1 333.392 1.220 20 5 EDBDMO COC[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000265765823 442912670 /nfs/dbraw/zinc/91/26/70/442912670.db2.gz HSMKOFCQDYGOLO-SNVBAGLBSA-N 1 1 337.332 1.230 20 5 EDBDMO COC[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000265765823 442912674 /nfs/dbraw/zinc/91/26/74/442912674.db2.gz HSMKOFCQDYGOLO-SNVBAGLBSA-N 1 1 337.332 1.230 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000268245180 442916146 /nfs/dbraw/zinc/91/61/46/442916146.db2.gz VXBVBLGAUSNXFU-UHFFFAOYSA-N 1 1 333.323 1.430 20 5 EDBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000249556891 442987110 /nfs/dbraw/zinc/98/71/10/442987110.db2.gz KCNHMFKPMUKKGZ-CKEIUWERSA-N 1 1 338.404 1.817 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000189786041 443010803 /nfs/dbraw/zinc/01/08/03/443010803.db2.gz RAHOJWUAOZWBPW-UHFFFAOYSA-N 1 1 337.376 1.397 20 5 EDBDMO CC[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000255118974 443086490 /nfs/dbraw/zinc/08/64/90/443086490.db2.gz XPMLCSDWZFRQFH-HJYQMELSSA-N 1 1 347.415 1.912 20 5 EDBDMO CC[C@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000266331724 443099509 /nfs/dbraw/zinc/09/95/09/443099509.db2.gz KIVRPZDAQNDODF-KBPBESRZSA-N 1 1 335.404 1.820 20 5 EDBDMO CC[C@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000266331724 443099512 /nfs/dbraw/zinc/09/95/12/443099512.db2.gz KIVRPZDAQNDODF-KBPBESRZSA-N 1 1 335.404 1.820 20 5 EDBDMO CC1(C)C[N@H+](CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000255619959 443105295 /nfs/dbraw/zinc/10/52/95/443105295.db2.gz GWZAVQHJYNRTJO-SREVYHEPSA-N 1 1 333.388 1.835 20 5 EDBDMO CC1(C)C[N@@H+](CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000255619959 443105300 /nfs/dbraw/zinc/10/53/00/443105300.db2.gz GWZAVQHJYNRTJO-SREVYHEPSA-N 1 1 333.388 1.835 20 5 EDBDMO COC(=O)C1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000266547885 443164604 /nfs/dbraw/zinc/16/46/04/443164604.db2.gz SNDQFFABVQSKDL-UHFFFAOYSA-N 1 1 338.360 1.867 20 5 EDBDMO COCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000266534465 443159492 /nfs/dbraw/zinc/15/94/92/443159492.db2.gz NQNVLBIENIMOMZ-PBHICJAKSA-N 1 1 348.403 1.862 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000245410557 443224930 /nfs/dbraw/zinc/22/49/30/443224930.db2.gz ROSQOHOEEGUYIQ-OLZOCXBDSA-N 1 1 348.403 1.818 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000245410557 443224933 /nfs/dbraw/zinc/22/49/33/443224933.db2.gz ROSQOHOEEGUYIQ-OLZOCXBDSA-N 1 1 348.403 1.818 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000350658683 319059652 /nfs/dbraw/zinc/05/96/52/319059652.db2.gz NUMGFRIQYHDBAD-NEPJUHHUSA-N 1 1 348.363 1.261 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000350658683 319059654 /nfs/dbraw/zinc/05/96/54/319059654.db2.gz NUMGFRIQYHDBAD-NEPJUHHUSA-N 1 1 348.363 1.261 20 5 EDBDMO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)c1[N+](=O)[O-] ZINC000269241669 443246960 /nfs/dbraw/zinc/24/69/60/443246960.db2.gz VTROWPQPDNXPRP-UHFFFAOYSA-N 1 1 347.375 1.536 20 5 EDBDMO CC[N@H+]1CC[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000413565233 319277794 /nfs/dbraw/zinc/27/77/94/319277794.db2.gz HBGRVNSTJCGIHF-LLVKDONJSA-N 1 1 342.421 1.351 20 5 EDBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264413031 443282705 /nfs/dbraw/zinc/28/27/05/443282705.db2.gz IECLKHBIOCTHJO-GPAKFWEMSA-N 1 1 332.404 1.360 20 5 EDBDMO CN(C)C(=O)CC[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269369433 443295254 /nfs/dbraw/zinc/29/52/54/443295254.db2.gz LQTXPNOZVNFTCJ-UHFFFAOYSA-N 1 1 341.799 1.244 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CN(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000267033740 443319363 /nfs/dbraw/zinc/31/93/63/443319363.db2.gz LSTODULCQHBLOB-LLVKDONJSA-N 1 1 342.421 1.163 20 5 EDBDMO CN(CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000272455937 443324869 /nfs/dbraw/zinc/32/48/69/443324869.db2.gz JYZUUOHOSVREAR-XJKSGUPXSA-N 1 1 332.404 1.584 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000278429225 443329179 /nfs/dbraw/zinc/32/91/79/443329179.db2.gz DARDWBZPHPLCPR-CQSZACIVSA-N 1 1 334.420 1.659 20 5 EDBDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282404584 443329292 /nfs/dbraw/zinc/32/92/92/443329292.db2.gz FLZNBFAONQFIAP-ZIAGYGMSSA-N 1 1 342.367 1.580 20 5 EDBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282404584 443329294 /nfs/dbraw/zinc/32/92/94/443329294.db2.gz FLZNBFAONQFIAP-ZIAGYGMSSA-N 1 1 342.367 1.580 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000264594301 443339499 /nfs/dbraw/zinc/33/94/99/443339499.db2.gz WQJMXORSQOZKNP-LBPRGKRZSA-N 1 1 332.360 1.527 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000269534326 443340520 /nfs/dbraw/zinc/34/05/20/443340520.db2.gz TUDCNIIRPAORBW-LBPRGKRZSA-N 1 1 335.408 1.999 20 5 EDBDMO CCN1CCN(C(=O)[C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282452384 443343044 /nfs/dbraw/zinc/34/30/44/443343044.db2.gz LXJQMZZXEKEOPQ-OAHLLOKOSA-N 1 1 348.447 1.622 20 5 EDBDMO C[C@@H]1CN(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000191439598 443295537 /nfs/dbraw/zinc/29/55/37/443295537.db2.gz DNCGFJYWMKKPSK-OAHLLOKOSA-N 1 1 334.420 1.438 20 5 EDBDMO C[C@@H]1C[N@H+](CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000191439598 443295539 /nfs/dbraw/zinc/29/55/39/443295539.db2.gz DNCGFJYWMKKPSK-OAHLLOKOSA-N 1 1 334.420 1.438 20 5 EDBDMO C[C@@H]1C[N@@H+](CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000191439598 443295542 /nfs/dbraw/zinc/29/55/42/443295542.db2.gz DNCGFJYWMKKPSK-OAHLLOKOSA-N 1 1 334.420 1.438 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000278654757 443391709 /nfs/dbraw/zinc/39/17/09/443391709.db2.gz NTBUAYZTAUFHFQ-UHFFFAOYSA-N 1 1 348.403 1.139 20 5 EDBDMO CC[NH+]1CCN([C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000278546238 443360064 /nfs/dbraw/zinc/36/00/64/443360064.db2.gz VKVYYTBGTGMEEZ-CQSZACIVSA-N 1 1 344.419 1.687 20 5 EDBDMO O=C(C[N@H+]1CCCC[C@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000264677089 443370687 /nfs/dbraw/zinc/37/06/87/443370687.db2.gz BECGYGRFPBLPQR-AWEZNQCLSA-N 1 1 333.388 1.721 20 5 EDBDMO O=C(C[N@@H+]1CCCC[C@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000264677089 443370689 /nfs/dbraw/zinc/37/06/89/443370689.db2.gz BECGYGRFPBLPQR-AWEZNQCLSA-N 1 1 333.388 1.721 20 5 EDBDMO CC(C)NC(=O)c1ccc(NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000264787342 443425313 /nfs/dbraw/zinc/42/53/13/443425313.db2.gz RVXSBDIJAQHICG-CQSZACIVSA-N 1 1 349.435 1.391 20 5 EDBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000264737395 443398472 /nfs/dbraw/zinc/39/84/72/443398472.db2.gz JXQJFJWMUUIAPE-CYBMUJFWSA-N 1 1 338.433 1.049 20 5 EDBDMO Cc1nnc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)[nH]1 ZINC000270612917 443477142 /nfs/dbraw/zinc/47/71/42/443477142.db2.gz ZQKMMBFOXKNVJR-GFCCVEGCSA-N 1 1 332.364 1.063 20 5 EDBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000270612917 443477147 /nfs/dbraw/zinc/47/71/47/443477147.db2.gz ZQKMMBFOXKNVJR-GFCCVEGCSA-N 1 1 332.364 1.063 20 5 EDBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000270612917 443477151 /nfs/dbraw/zinc/47/71/51/443477151.db2.gz ZQKMMBFOXKNVJR-GFCCVEGCSA-N 1 1 332.364 1.063 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272955305 443501295 /nfs/dbraw/zinc/50/12/95/443501295.db2.gz GROJWDYNNDCTAR-OAHLLOKOSA-N 1 1 343.343 1.409 20 5 EDBDMO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283084095 443517465 /nfs/dbraw/zinc/51/74/65/443517465.db2.gz KVRVGGLIDAZSEL-NSHDSACASA-N 1 1 331.369 1.234 20 5 EDBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283084095 443517467 /nfs/dbraw/zinc/51/74/67/443517467.db2.gz KVRVGGLIDAZSEL-NSHDSACASA-N 1 1 331.369 1.234 20 5 EDBDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000265276491 443592001 /nfs/dbraw/zinc/59/20/01/443592001.db2.gz VZZQIHZBFKHJEG-QGZVFWFLSA-N 1 1 340.420 1.872 20 5 EDBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1O ZINC000275678514 443637600 /nfs/dbraw/zinc/63/76/00/443637600.db2.gz YQZABTQSAZHALE-HZMBPMFUSA-N 1 1 325.340 1.765 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272369031 443605599 /nfs/dbraw/zinc/60/55/99/443605599.db2.gz GGVRFPZPKOOHJG-IUODEOHRSA-N 1 1 339.417 1.618 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272369031 443605602 /nfs/dbraw/zinc/60/56/02/443605602.db2.gz GGVRFPZPKOOHJG-IUODEOHRSA-N 1 1 339.417 1.618 20 5 EDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000441125303 320090348 /nfs/dbraw/zinc/09/03/48/320090348.db2.gz XHZZSESKAPITKR-VXGBXAGGSA-N 1 1 348.403 1.783 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000441125303 320090353 /nfs/dbraw/zinc/09/03/53/320090353.db2.gz XHZZSESKAPITKR-VXGBXAGGSA-N 1 1 348.403 1.783 20 5 EDBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000453981718 320275406 /nfs/dbraw/zinc/27/54/06/320275406.db2.gz SMXHCTZZICPJPB-ZDUSSCGKSA-N 1 1 348.403 1.784 20 5 EDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000453981718 320275408 /nfs/dbraw/zinc/27/54/08/320275408.db2.gz SMXHCTZZICPJPB-ZDUSSCGKSA-N 1 1 348.403 1.784 20 5 EDBDMO CCOc1ccc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000457139054 320320235 /nfs/dbraw/zinc/32/02/35/320320235.db2.gz WPRQOEYVJGXOLQ-GFCCVEGCSA-N 1 1 337.376 1.132 20 5 EDBDMO CCOc1ccc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000457139054 320320236 /nfs/dbraw/zinc/32/02/36/320320236.db2.gz WPRQOEYVJGXOLQ-GFCCVEGCSA-N 1 1 337.376 1.132 20 5 EDBDMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000492742067 320384410 /nfs/dbraw/zinc/38/44/10/320384410.db2.gz WWJAZEKDBSSDIL-PSKZRQQASA-N 1 1 347.415 1.912 20 5 EDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000493659168 320396697 /nfs/dbraw/zinc/39/66/97/320396697.db2.gz LFGQTAHHSIFOAM-HWYHOQROSA-N 1 1 333.388 1.571 20 5 EDBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC[N@@H+]1CC=CCC1 ZINC000280269962 443687852 /nfs/dbraw/zinc/68/78/52/443687852.db2.gz PGAKXRAUIKNLFH-UHFFFAOYSA-N 1 1 328.372 1.928 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000290909628 443708934 /nfs/dbraw/zinc/70/89/34/443708934.db2.gz WMAFVDNNUFKIBX-AWEZNQCLSA-N 1 1 348.403 1.696 20 5 EDBDMO COC(=O)[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298366672 443755277 /nfs/dbraw/zinc/75/52/77/443755277.db2.gz CRJJOCLYOHBLIF-SNVBAGLBSA-N 1 1 339.348 1.425 20 5 EDBDMO COC(=O)[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298366672 443755280 /nfs/dbraw/zinc/75/52/80/443755280.db2.gz CRJJOCLYOHBLIF-SNVBAGLBSA-N 1 1 339.348 1.425 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000298388992 443759383 /nfs/dbraw/zinc/75/93/83/443759383.db2.gz GVCVBITYMHPZAD-UHFFFAOYSA-N 1 1 348.403 1.704 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000298455118 443773335 /nfs/dbraw/zinc/77/33/35/443773335.db2.gz RHEBSWVMXODOKI-ABAIWWIYSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000292727365 443829052 /nfs/dbraw/zinc/82/90/52/443829052.db2.gz MKWNLTZKDXYABO-HNNXBMFYSA-N 1 1 349.387 1.921 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000292727365 443829054 /nfs/dbraw/zinc/82/90/54/443829054.db2.gz MKWNLTZKDXYABO-HNNXBMFYSA-N 1 1 349.387 1.921 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281150229 443832597 /nfs/dbraw/zinc/83/25/97/443832597.db2.gz FIPXVOVCYWJZCM-OCCSQVGLSA-N 1 1 335.360 1.924 20 5 EDBDMO 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COc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000356902460 446109580 /nfs/dbraw/zinc/10/95/80/446109580.db2.gz OCCBMXDLQMVGAU-GHMZBOCLSA-N 1 1 337.376 1.777 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365542359 446246891 /nfs/dbraw/zinc/24/68/91/446246891.db2.gz ZCGBOIBCIXKXGQ-IAOVAPTHSA-N 1 1 345.399 1.916 20 5 EDBDMO O=C(C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000366659692 446297518 /nfs/dbraw/zinc/29/75/18/446297518.db2.gz WBVWEABVWGPHDE-LSDHHAIUSA-N 1 1 345.399 1.842 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000366868083 446389594 /nfs/dbraw/zinc/38/95/94/446389594.db2.gz LRYSTNYFYAAXCQ-UKRRQHHQSA-N 1 1 346.387 1.442 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ncc([N+](=O)[O-])cn1 ZINC000370705377 446395116 /nfs/dbraw/zinc/39/51/16/446395116.db2.gz GMXCBELNAPCSQU-SWLSCSKDSA-N 1 1 345.407 1.638 20 5 EDBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411230433 446433414 /nfs/dbraw/zinc/43/34/14/446433414.db2.gz WEPOGWXRFWDPAQ-RYUDHWBXSA-N 1 1 334.376 1.509 20 5 EDBDMO COc1cc(OCC(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000375022632 446520331 /nfs/dbraw/zinc/52/03/31/446520331.db2.gz SADNCZCLBLFGOG-DOMZBBRYSA-N 1 1 349.387 1.535 20 5 EDBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411511329 446578760 /nfs/dbraw/zinc/57/87/60/446578760.db2.gz IVDLXNAGRXSQMD-SAHAZLINSA-N 1 1 327.406 1.622 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCNc2c(C(N)=O)cccc2[N+](=O)[O-])CCCO1 ZINC000420608888 446700325 /nfs/dbraw/zinc/70/03/25/446700325.db2.gz FOZXBXQFOSVHCI-GFCCVEGCSA-N 1 1 336.392 1.607 20 5 EDBDMO O=C1NC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]12 ZINC000368213559 446713585 /nfs/dbraw/zinc/71/35/85/446713585.db2.gz BGFNULHIXFOIOO-ZYHUDNBSSA-N 1 1 341.314 1.764 20 5 EDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]12 ZINC000368213559 446713592 /nfs/dbraw/zinc/71/35/92/446713592.db2.gz BGFNULHIXFOIOO-ZYHUDNBSSA-N 1 1 341.314 1.764 20 5 EDBDMO COC(=O)[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+](C)C1 ZINC000411905348 446715029 /nfs/dbraw/zinc/71/50/29/446715029.db2.gz BHMJAZIKLGRMPB-JTQLQIEISA-N 1 1 343.330 1.410 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000368232157 446725800 /nfs/dbraw/zinc/72/58/00/446725800.db2.gz PYHRGSMWZBBXSL-KFWWJZLASA-N 1 1 336.392 1.186 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411937852 446746458 /nfs/dbraw/zinc/74/64/58/446746458.db2.gz HAPXSEWTLWMFKW-LBPRGKRZSA-N 1 1 334.376 1.252 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411937852 446746464 /nfs/dbraw/zinc/74/64/64/446746464.db2.gz HAPXSEWTLWMFKW-LBPRGKRZSA-N 1 1 334.376 1.252 20 5 EDBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)CN1 ZINC000371308128 446763274 /nfs/dbraw/zinc/76/32/74/446763274.db2.gz LGUYAGXWOCKJOM-XJKSGUPXSA-N 1 1 333.388 1.964 20 5 EDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619253341 450435372 /nfs/dbraw/zinc/43/53/72/450435372.db2.gz VBPPCFIBIMOLJP-TZMCWYRMSA-N 1 1 336.367 1.651 20 5 EDBDMO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)cc(F)cc1[N+](=O)[O-] ZINC000619252691 450435446 /nfs/dbraw/zinc/43/54/46/450435446.db2.gz NELWUGGDBBACAL-NWDGAFQWSA-N 1 1 340.330 1.574 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000375438370 446798889 /nfs/dbraw/zinc/79/88/89/446798889.db2.gz RJZYDKRLSIWVLX-KGLIPLIRSA-N 1 1 349.387 1.587 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000375438370 446798892 /nfs/dbraw/zinc/79/88/92/446798892.db2.gz RJZYDKRLSIWVLX-KGLIPLIRSA-N 1 1 349.387 1.587 20 5 EDBDMO O=C([C@H]1C[N@H+]2CCN1CCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000371368088 446810675 /nfs/dbraw/zinc/81/06/75/446810675.db2.gz FCHZERZDVPOIEW-QGZVFWFLSA-N 1 1 344.415 1.476 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)n1 ZINC000375467353 446822935 /nfs/dbraw/zinc/82/29/35/446822935.db2.gz IGUFROIVYSYROB-KRWDZBQOSA-N 1 1 330.388 1.861 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420772007 446808316 /nfs/dbraw/zinc/80/83/16/446808316.db2.gz SYXBKWWZHMBRQW-LBPRGKRZSA-N 1 1 327.406 1.618 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412097681 446857606 /nfs/dbraw/zinc/85/76/06/446857606.db2.gz TZCWSGSIKPINNR-IUODEOHRSA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412097681 446857607 /nfs/dbraw/zinc/85/76/07/446857607.db2.gz TZCWSGSIKPINNR-IUODEOHRSA-N 1 1 337.376 1.313 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000419007873 446861216 /nfs/dbraw/zinc/86/12/16/446861216.db2.gz SKUMXFMEIDVINM-UWVGGRQHSA-N 1 1 325.394 1.195 20 5 EDBDMO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000454493666 446892698 /nfs/dbraw/zinc/89/26/98/446892698.db2.gz VWFCFZQDJCDWNE-SWLSCSKDSA-N 1 1 335.408 1.201 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](O)CC23CCC3)c1 ZINC000420993679 446971234 /nfs/dbraw/zinc/97/12/34/446971234.db2.gz MCICOTZEJXXLKY-GJZGRUSLSA-N 1 1 336.388 1.714 20 5 EDBDMO COCC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979039 446951294 /nfs/dbraw/zinc/95/12/94/446951294.db2.gz YFOXGJPIBZAVSS-LBPRGKRZSA-N 1 1 345.421 1.230 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000372375207 447051733 /nfs/dbraw/zinc/05/17/33/447051733.db2.gz VEBAGKGGKWEPNK-STQMWFEESA-N 1 1 335.360 1.284 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOCC2(CCC2)C1 ZINC000368708549 447056323 /nfs/dbraw/zinc/05/63/23/447056323.db2.gz VSJHGYMWQUSVBL-AWEZNQCLSA-N 1 1 336.388 1.837 20 5 EDBDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444643066 447113469 /nfs/dbraw/zinc/11/34/69/447113469.db2.gz JJKIKWDPGLSTKQ-CQSZACIVSA-N 1 1 331.376 1.962 20 5 EDBDMO COC(=O)c1cn([C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000368856982 447161731 /nfs/dbraw/zinc/16/17/31/447161731.db2.gz RQXOXCLYMOBTEL-AWEZNQCLSA-N 1 1 345.359 1.462 20 5 EDBDMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000425459419 447173030 /nfs/dbraw/zinc/17/30/30/447173030.db2.gz PBANFPKWXHYDJZ-CYBMUJFWSA-N 1 1 345.193 1.941 20 5 EDBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000425459419 447173035 /nfs/dbraw/zinc/17/30/35/447173035.db2.gz PBANFPKWXHYDJZ-CYBMUJFWSA-N 1 1 345.193 1.941 20 5 EDBDMO COCC(COC)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000413480629 447195185 /nfs/dbraw/zinc/19/51/85/447195185.db2.gz RWKOEOMYQLGVFF-UHFFFAOYSA-N 1 1 339.392 1.387 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000421775235 447247823 /nfs/dbraw/zinc/24/78/23/447247823.db2.gz OSRFBVQZFKJYEL-KBPBESRZSA-N 1 1 335.404 1.739 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000421775235 447247829 /nfs/dbraw/zinc/24/78/29/447247829.db2.gz OSRFBVQZFKJYEL-KBPBESRZSA-N 1 1 335.404 1.739 20 5 EDBDMO O=C1NCCN1[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372728784 447251795 /nfs/dbraw/zinc/25/17/95/447251795.db2.gz RVVVIFRHHSSFCO-HUUCEWRRSA-N 1 1 334.376 1.118 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](c4nnc[nH]4)C3)n2)c1 ZINC000425528150 447215183 /nfs/dbraw/zinc/21/51/83/447215183.db2.gz CFZHIIFHSDRKRJ-LLVKDONJSA-N 1 1 341.331 1.752 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](c4nnc[nH]4)C3)n2)c1 ZINC000425528150 447215185 /nfs/dbraw/zinc/21/51/85/447215185.db2.gz CFZHIIFHSDRKRJ-LLVKDONJSA-N 1 1 341.331 1.752 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000421713902 447230911 /nfs/dbraw/zinc/23/09/11/447230911.db2.gz UGBGUQVEMGTSBA-CYBMUJFWSA-N 1 1 349.387 1.461 20 5 EDBDMO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCC[N@H+]1C ZINC000450547801 447521930 /nfs/dbraw/zinc/52/19/30/447521930.db2.gz PECSUBWVKWDJGE-TZMCWYRMSA-N 1 1 343.387 1.993 20 5 EDBDMO O=C(CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)NC1CCCC1 ZINC000459497041 447687843 /nfs/dbraw/zinc/68/78/43/447687843.db2.gz QRAYSHHZHHHIQR-UHFFFAOYSA-N 1 1 347.419 1.561 20 5 EDBDMO C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525275484 447986338 /nfs/dbraw/zinc/98/63/38/447986338.db2.gz QFDZXOCMPIJFGX-CQSZACIVSA-N 1 1 348.359 1.055 20 5 EDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000511610233 448152563 /nfs/dbraw/zinc/15/25/63/448152563.db2.gz LLXCNQHPRIKJDX-WDBKCZKBSA-N 1 1 337.376 1.776 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000591324273 448321849 /nfs/dbraw/zinc/32/18/49/448321849.db2.gz DHUZTEIANPJRSH-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000591324273 448321853 /nfs/dbraw/zinc/32/18/53/448321853.db2.gz DHUZTEIANPJRSH-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1CCO ZINC000591377839 448350161 /nfs/dbraw/zinc/35/01/61/448350161.db2.gz IKVZZWKRVUUXOV-LSDHHAIUSA-N 1 1 337.420 1.751 20 5 EDBDMO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000591377839 448350166 /nfs/dbraw/zinc/35/01/66/448350166.db2.gz IKVZZWKRVUUXOV-LSDHHAIUSA-N 1 1 337.420 1.751 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000591377839 448350175 /nfs/dbraw/zinc/35/01/75/448350175.db2.gz IKVZZWKRVUUXOV-LSDHHAIUSA-N 1 1 337.420 1.751 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOC[C@H]3CCCO3)C2)nc1 ZINC000533378607 448395575 /nfs/dbraw/zinc/39/55/75/448395575.db2.gz NAVZDUMPJTYHPG-DZGCQCFKSA-N 1 1 336.392 1.672 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CC(N3CCCCC3)C2)c1 ZINC000591764000 448484728 /nfs/dbraw/zinc/48/47/28/448484728.db2.gz JITZWNNLSIFSJB-BDVYOWHSSA-N 1 1 349.431 1.941 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000540901324 448652236 /nfs/dbraw/zinc/65/22/36/448652236.db2.gz PLYHHMXWOJQNTQ-GJZGRUSLSA-N 1 1 328.372 1.761 20 5 EDBDMO C[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000518315178 448663894 /nfs/dbraw/zinc/66/38/94/448663894.db2.gz ZBISMLXHBWGVJP-XJKSGUPXSA-N 1 1 335.404 1.661 20 5 EDBDMO C[C@H](SC[C@H]1C[N@H+](C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592360285 448805116 /nfs/dbraw/zinc/80/51/16/448805116.db2.gz HOOUQCOVGHJOSB-SMDDNHRTSA-N 1 1 339.417 1.986 20 5 EDBDMO C[C@H](SC[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592360285 448805118 /nfs/dbraw/zinc/80/51/18/448805118.db2.gz HOOUQCOVGHJOSB-SMDDNHRTSA-N 1 1 339.417 1.986 20 5 EDBDMO C[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@H+]1C ZINC000587985129 448850541 /nfs/dbraw/zinc/85/05/41/448850541.db2.gz WNLCQOIVXWROEG-WDEREUQCSA-N 1 1 333.392 1.680 20 5 EDBDMO CNc1ccc(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000548112519 448985166 /nfs/dbraw/zinc/98/51/66/448985166.db2.gz XIQRKTZBJXGDFJ-CYBMUJFWSA-N 1 1 349.435 1.392 20 5 EDBDMO CCN1CCC([N@@H+]2CCCN(c3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC000574746924 448945075 /nfs/dbraw/zinc/94/50/75/448945075.db2.gz PUELVZUTCYLTLZ-UHFFFAOYSA-N 1 1 336.440 1.325 20 5 EDBDMO CCN1CCC([N@H+]2CCCN(c3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC000574746924 448945079 /nfs/dbraw/zinc/94/50/79/448945079.db2.gz PUELVZUTCYLTLZ-UHFFFAOYSA-N 1 1 336.440 1.325 20 5 EDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593092112 449131155 /nfs/dbraw/zinc/13/11/55/449131155.db2.gz MSJCGBQDHMZHHP-ZIAGYGMSSA-N 1 1 336.388 1.978 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593092112 449131158 /nfs/dbraw/zinc/13/11/58/449131158.db2.gz MSJCGBQDHMZHHP-ZIAGYGMSSA-N 1 1 336.388 1.978 20 5 EDBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000595661321 449102119 /nfs/dbraw/zinc/10/21/19/449102119.db2.gz HJTADVSYNDNHMD-DZGCQCFKSA-N 1 1 338.360 1.802 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595767517 449156114 /nfs/dbraw/zinc/15/61/14/449156114.db2.gz YFKHFBNQEXZTIY-BXUZGUMPSA-N 1 1 337.376 1.777 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593168759 449157460 /nfs/dbraw/zinc/15/74/60/449157460.db2.gz UIURNQLGZQOKHL-CYBMUJFWSA-N 1 1 334.376 1.494 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593168759 449157464 /nfs/dbraw/zinc/15/74/64/449157464.db2.gz UIURNQLGZQOKHL-CYBMUJFWSA-N 1 1 334.376 1.494 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC000593108539 449138753 /nfs/dbraw/zinc/13/87/53/449138753.db2.gz XQUICDWUDMREIN-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595743949 449143088 /nfs/dbraw/zinc/14/30/88/449143088.db2.gz SZQYXGVLTDIRJT-TYNCELHUSA-N 1 1 346.387 1.522 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595743949 449143093 /nfs/dbraw/zinc/14/30/93/449143093.db2.gz SZQYXGVLTDIRJT-TYNCELHUSA-N 1 1 346.387 1.522 20 5 EDBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000590388840 449143932 /nfs/dbraw/zinc/14/39/32/449143932.db2.gz ONSRFHHXKFTQPI-ZDUSSCGKSA-N 1 1 333.388 1.920 20 5 EDBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000597996058 449181506 /nfs/dbraw/zinc/18/15/06/449181506.db2.gz HXSJECHLHFQETN-KGLIPLIRSA-N 1 1 335.404 1.753 20 5 EDBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000597996058 449181511 /nfs/dbraw/zinc/18/15/11/449181511.db2.gz HXSJECHLHFQETN-KGLIPLIRSA-N 1 1 335.404 1.753 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000590604830 449219150 /nfs/dbraw/zinc/21/91/50/449219150.db2.gz PSMHHOODQPVRCN-OAHLLOKOSA-N 1 1 336.436 1.418 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000600230017 449255747 /nfs/dbraw/zinc/25/57/47/449255747.db2.gz OCRFPEFOEDCYNH-ZDUSSCGKSA-N 1 1 335.408 1.948 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601975168 449256194 /nfs/dbraw/zinc/25/61/94/449256194.db2.gz LZHRZYFFVDGKMH-SMDDNHRTSA-N 1 1 346.330 1.691 20 5 EDBDMO C[C@]1(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000593878753 449257610 /nfs/dbraw/zinc/25/76/10/449257610.db2.gz KUOCSWCOKUZOCU-INIZCTEOSA-N 1 1 329.360 1.712 20 5 EDBDMO C[C@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000593878753 449257618 /nfs/dbraw/zinc/25/76/18/449257618.db2.gz KUOCSWCOKUZOCU-INIZCTEOSA-N 1 1 329.360 1.712 20 5 EDBDMO C[C@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000593878753 449257623 /nfs/dbraw/zinc/25/76/23/449257623.db2.gz KUOCSWCOKUZOCU-INIZCTEOSA-N 1 1 329.360 1.712 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611348813 449269094 /nfs/dbraw/zinc/26/90/94/449269094.db2.gz KGGYOJZJBUFJIY-MRXNPFEDSA-N 1 1 335.404 1.900 20 5 EDBDMO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@]1(C)CO ZINC000595871996 449223728 /nfs/dbraw/zinc/22/37/28/449223728.db2.gz JHQZKNKBCWOPEX-YVEFUNNKSA-N 1 1 333.388 1.434 20 5 EDBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@]1(C)CO ZINC000595871996 449223732 /nfs/dbraw/zinc/22/37/32/449223732.db2.gz JHQZKNKBCWOPEX-YVEFUNNKSA-N 1 1 333.388 1.434 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598220436 449297377 /nfs/dbraw/zinc/29/73/77/449297377.db2.gz PDOAMDOPLCUWBH-ZDUSSCGKSA-N 1 1 348.403 1.280 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000602071716 449321676 /nfs/dbraw/zinc/32/16/76/449321676.db2.gz FAUVZKVWEQRVDI-DZGCQCFKSA-N 1 1 335.360 1.083 20 5 EDBDMO C[C@@H](C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000598450911 449400306 /nfs/dbraw/zinc/40/03/06/449400306.db2.gz JZLWSXAEIDFWKV-CXAGYDPISA-N 1 1 347.415 1.756 20 5 EDBDMO NC(=O)c1cc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596162315 449391685 /nfs/dbraw/zinc/39/16/85/449391685.db2.gz KJWIYMDTKNSZSC-GDBMZVCRSA-N 1 1 348.403 1.749 20 5 EDBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000594345064 449459498 /nfs/dbraw/zinc/45/94/98/449459498.db2.gz LVLZVEYLFQLXPQ-UHFFFAOYSA-N 1 1 340.343 1.762 20 5 EDBDMO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000600623780 449464698 /nfs/dbraw/zinc/46/46/98/449464698.db2.gz RGJDJSSBFJQSJX-HZSPNIEDSA-N 1 1 336.392 1.305 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000596307888 449468049 /nfs/dbraw/zinc/46/80/49/449468049.db2.gz QDITVFHNAGIWPX-SNVBAGLBSA-N 1 1 342.421 1.527 20 5 EDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594482712 449547645 /nfs/dbraw/zinc/54/76/45/449547645.db2.gz CTFRSEYAWDSGIN-QWHCGFSZSA-N 1 1 339.417 1.890 20 5 EDBDMO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cn(C)nc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000602456193 449603510 /nfs/dbraw/zinc/60/35/10/449603510.db2.gz VIHMPELZSZMSIH-UMVBOHGHSA-N 1 1 337.424 1.402 20 5 EDBDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cn(C)nc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000602456193 449603512 /nfs/dbraw/zinc/60/35/12/449603512.db2.gz VIHMPELZSZMSIH-UMVBOHGHSA-N 1 1 337.424 1.402 20 5 EDBDMO COc1c(F)cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000614539169 449677317 /nfs/dbraw/zinc/67/73/17/449677317.db2.gz ABFIJXYLJOJWKS-VIFPVBQESA-N 1 1 347.368 1.115 20 5 EDBDMO CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[N@H+]1C ZINC000600995121 449639984 /nfs/dbraw/zinc/63/99/84/449639984.db2.gz LGDRSWPUDVCEHZ-LSDHHAIUSA-N 1 1 347.419 1.369 20 5 EDBDMO CN(C)c1ncc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)n1C ZINC000601150467 449719167 /nfs/dbraw/zinc/71/91/67/449719167.db2.gz XVLDPGSZWARPHJ-MRXNPFEDSA-N 1 1 333.392 1.392 20 5 EDBDMO C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000612482818 449732753 /nfs/dbraw/zinc/73/27/53/449732753.db2.gz UINQTUMRRAFSSP-PGUXBMHVSA-N 1 1 339.367 1.673 20 5 EDBDMO C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000612482818 449732759 /nfs/dbraw/zinc/73/27/59/449732759.db2.gz UINQTUMRRAFSSP-PGUXBMHVSA-N 1 1 339.367 1.673 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC2C[NH+](C)C2)cc1C ZINC000594846885 449755370 /nfs/dbraw/zinc/75/53/70/449755370.db2.gz KOQQMFPMNDOCAI-UHFFFAOYSA-N 1 1 327.406 1.394 20 5 EDBDMO C[C@]12C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602731261 449772364 /nfs/dbraw/zinc/77/23/64/449772364.db2.gz LZMZNDJWYIHPRM-VWEWPCDYSA-N 1 1 329.356 1.593 20 5 EDBDMO CCC[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000602796608 449816405 /nfs/dbraw/zinc/81/64/05/449816405.db2.gz DHJCVQWWZWGCCD-HNNXBMFYSA-N 1 1 339.440 1.532 20 5 EDBDMO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000594967329 449822098 /nfs/dbraw/zinc/82/20/98/449822098.db2.gz WMINJZNJCGVEEN-FAQJLRJSSA-N 1 1 326.374 1.010 20 5 EDBDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000595071750 449855600 /nfs/dbraw/zinc/85/56/00/449855600.db2.gz DJIWJOVLLIOFGT-ZDUSSCGKSA-N 1 1 348.403 1.831 20 5 EDBDMO CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000614895159 449864825 /nfs/dbraw/zinc/86/48/25/449864825.db2.gz PGCZHGKOROXEKS-UHFFFAOYSA-N 1 1 325.340 1.263 20 5 EDBDMO CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000614895159 449864829 /nfs/dbraw/zinc/86/48/29/449864829.db2.gz PGCZHGKOROXEKS-UHFFFAOYSA-N 1 1 325.340 1.263 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601357088 449870428 /nfs/dbraw/zinc/87/04/28/449870428.db2.gz LFVFTXCYMKFPCK-PSASIEDQSA-N 1 1 333.435 1.726 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000597210487 449873526 /nfs/dbraw/zinc/87/35/26/449873526.db2.gz 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PJZMBEAXKVORNJ-ZDUSSCGKSA-N 1 1 340.380 1.179 20 5 EDBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839592185 593345965 /nfs/dbraw/zinc/34/59/65/593345965.db2.gz HODVSWPOGZIMOV-SDBXPKJASA-N 1 1 340.767 1.301 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)c1 ZINC000811493201 593471939 /nfs/dbraw/zinc/47/19/39/593471939.db2.gz GELJBXVUVHEJQL-GXFFZTMASA-N 1 1 336.344 1.765 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)c1 ZINC000811493201 593471940 /nfs/dbraw/zinc/47/19/40/593471940.db2.gz GELJBXVUVHEJQL-GXFFZTMASA-N 1 1 336.344 1.765 20 5 EDBDMO CC[N@@H+](CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)C(C)C ZINC000811799091 593482681 /nfs/dbraw/zinc/48/26/81/593482681.db2.gz QJTBTMPXKLRDEH-UHFFFAOYSA-N 1 1 335.408 1.927 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000816953589 593563236 /nfs/dbraw/zinc/56/32/36/593563236.db2.gz JYCOWTZEHXAEKE-QPUJVOFHSA-N 1 1 333.373 1.376 20 5 EDBDMO CNC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000817283549 593589158 /nfs/dbraw/zinc/58/91/58/593589158.db2.gz ZQTFYQPSNWGMRK-SECBINFHSA-N 1 1 340.767 1.255 20 5 EDBDMO CNC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000817283549 593589160 /nfs/dbraw/zinc/58/91/60/593589160.db2.gz ZQTFYQPSNWGMRK-SECBINFHSA-N 1 1 340.767 1.255 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820752039 593881037 /nfs/dbraw/zinc/88/10/37/593881037.db2.gz JSUXYZJEUBBZES-ZYHUDNBSSA-N 1 1 331.380 1.551 20 5 EDBDMO Nc1ccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000823997678 593904307 /nfs/dbraw/zinc/90/43/07/593904307.db2.gz GNLOEUSSIUXWMN-RYUDHWBXSA-N 1 1 335.364 1.162 20 5 EDBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821001363 593942436 /nfs/dbraw/zinc/94/24/36/593942436.db2.gz QRTABQOFQRDVAE-STQMWFEESA-N 1 1 343.391 1.838 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821051666 593954174 /nfs/dbraw/zinc/95/41/74/593954174.db2.gz FQLMKGKAUGFQFL-BBWFWOEESA-N 1 1 347.415 1.661 20 5 EDBDMO CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825505762 594193935 /nfs/dbraw/zinc/19/39/35/594193935.db2.gz ULJOMTMJNKRBBB-HNNXBMFYSA-N 1 1 335.404 1.961 20 5 EDBDMO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000827308499 594659870 /nfs/dbraw/zinc/65/98/70/594659870.db2.gz BRUSKFWEAWWZEP-KBPBESRZSA-N 1 1 332.404 1.584 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827367363 594665346 /nfs/dbraw/zinc/66/53/46/594665346.db2.gz UTHLPYUBHAACOI-WFASDCNBSA-N 1 1 332.404 1.827 20 5 EDBDMO COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+](C)C1 ZINC000840956811 594832935 /nfs/dbraw/zinc/83/29/35/594832935.db2.gz FEMKAYBHEWVHSM-GFCCVEGCSA-N 1 1 341.795 1.785 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000842047210 595009649 /nfs/dbraw/zinc/00/96/49/595009649.db2.gz MMPLCWPXMODXFI-RYUDHWBXSA-N 1 1 348.403 1.371 20 5 EDBDMO C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843347683 595082380 /nfs/dbraw/zinc/08/23/80/595082380.db2.gz XDFYJADIPYSLJS-GFCCVEGCSA-N 1 1 338.383 1.994 20 5 EDBDMO C[NH2+]C[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843347683 595082384 /nfs/dbraw/zinc/08/23/84/595082384.db2.gz XDFYJADIPYSLJS-GFCCVEGCSA-N 1 1 338.383 1.994 20 5 EDBDMO O=C(CC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000844432269 595342585 /nfs/dbraw/zinc/34/25/85/595342585.db2.gz FCXHUWRWGQNXOE-JOMGAKPTSA-N 1 1 341.364 1.268 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306673 595357370 /nfs/dbraw/zinc/35/73/70/595357370.db2.gz XGXRDSSHXNCRPD-KIIBNJGVSA-N 1 1 331.372 1.276 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490514 595394481 /nfs/dbraw/zinc/39/44/81/595394481.db2.gz OKKBVRMANUTZCM-RDJZCZTQSA-N 1 1 346.431 1.894 20 5 EDBDMO C[C@@H]1C[N@H+](CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000855412206 595701345 /nfs/dbraw/zinc/70/13/45/595701345.db2.gz GRDCMGAUQLUFQL-QLNSKBQOSA-N 1 1 333.388 1.833 20 5 EDBDMO C[C@@H]1C[N@@H+](CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000855412206 595701348 /nfs/dbraw/zinc/70/13/48/595701348.db2.gz GRDCMGAUQLUFQL-QLNSKBQOSA-N 1 1 333.388 1.833 20 5 EDBDMO Cc1nn(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853542844 595793410 /nfs/dbraw/zinc/79/34/10/595793410.db2.gz JDDZJFQFKVNWTA-IYBDPMFKSA-N 1 1 331.376 1.964 20 5 EDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000860828700 595810074 /nfs/dbraw/zinc/81/00/74/595810074.db2.gz KSYQRJRIRONAHF-QGZVFWFLSA-N 1 1 329.356 1.544 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000853965310 595936092 /nfs/dbraw/zinc/93/60/92/595936092.db2.gz GQJJPTRNJAQGON-ZDUSSCGKSA-N 1 1 336.348 1.538 20 5 EDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000854355301 596049806 /nfs/dbraw/zinc/04/98/06/596049806.db2.gz YPGRZHXPLHDHGJ-LBPRGKRZSA-N 1 1 336.367 1.162 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854643833 596147161 /nfs/dbraw/zinc/14/71/61/596147161.db2.gz YPIZXOGTWWYNLN-GJZGRUSLSA-N 1 1 337.351 1.669 20 5 EDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000854735013 596181097 /nfs/dbraw/zinc/18/10/97/596181097.db2.gz IBYHRRWRNSYDEV-NVXWUHKLSA-N 1 1 333.388 1.573 20 5 EDBDMO C[N@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000867681444 596494393 /nfs/dbraw/zinc/49/43/93/596494393.db2.gz WDTGNSNFOYACGC-UHFFFAOYSA-N 1 1 341.433 1.841 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000871764582 596688674 /nfs/dbraw/zinc/68/86/74/596688674.db2.gz IFRWCXDCUYAVKN-ZIAGYGMSSA-N 1 1 332.360 1.228 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000872665648 597020611 /nfs/dbraw/zinc/02/06/11/597020611.db2.gz PSOMQZNCSFCIKC-KGLIPLIRSA-N 1 1 339.417 1.760 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000872665648 597020613 /nfs/dbraw/zinc/02/06/13/597020613.db2.gz PSOMQZNCSFCIKC-KGLIPLIRSA-N 1 1 339.417 1.760 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000872781315 597065378 /nfs/dbraw/zinc/06/53/78/597065378.db2.gz RUWGFECQIXPXEY-CHWSQXEVSA-N 1 1 334.376 1.758 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000877451244 597517402 /nfs/dbraw/zinc/51/74/02/597517402.db2.gz KUDAIUSQMDXKCA-ZMSDIMECSA-N 1 1 332.404 1.464 20 5 EDBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)o1 ZINC000877764564 597553445 /nfs/dbraw/zinc/55/34/45/597553445.db2.gz IUKSCGSAOMSQGP-BETUJISGSA-N 1 1 332.356 1.887 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c1 ZINC000879499401 597609410 /nfs/dbraw/zinc/60/94/10/597609410.db2.gz SSXSQCNZKJEHSV-CQSZACIVSA-N 1 1 328.376 1.671 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[N@H+]1C ZINC000878960579 597767498 /nfs/dbraw/zinc/76/74/98/597767498.db2.gz NLAZYVJGQBMAFJ-RYUDHWBXSA-N 1 1 349.387 1.969 20 5 EDBDMO COc1ccc(C[NH+]2CCC([C@H](F)C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000879048446 597800931 /nfs/dbraw/zinc/80/09/31/597800931.db2.gz TXSKAOFGJQPZGY-AWEZNQCLSA-N 1 1 325.340 1.639 20 5 EDBDMO O=C(CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000880072364 597831394 /nfs/dbraw/zinc/83/13/94/597831394.db2.gz UZHOXVDKMPAKIF-JKSUJKDBSA-N 1 1 348.403 1.064 20 5 EDBDMO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000879335088 597890886 /nfs/dbraw/zinc/89/08/86/597890886.db2.gz OZUNMFCFJGNYNG-CYBMUJFWSA-N 1 1 336.392 1.887 20 5 EDBDMO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000879335088 597890887 /nfs/dbraw/zinc/89/08/87/597890887.db2.gz OZUNMFCFJGNYNG-CYBMUJFWSA-N 1 1 336.392 1.887 20 5 EDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820708971 606700540 /nfs/dbraw/zinc/70/05/40/606700540.db2.gz AZLATXOXUPGUEU-GHMZBOCLSA-N 1 1 346.395 1.702 20 5 EDBDMO C[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000820703978 607168315 /nfs/dbraw/zinc/16/83/15/607168315.db2.gz KWFPWQGFZBPHEV-GHMZBOCLSA-N 1 1 346.395 1.845 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000919860021 697351008 /nfs/dbraw/zinc/35/10/08/697351008.db2.gz GNUMSNJSOODQHG-WDEREUQCSA-N 1 1 343.380 1.591 20 5 EDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000919860021 697351009 /nfs/dbraw/zinc/35/10/09/697351009.db2.gz GNUMSNJSOODQHG-WDEREUQCSA-N 1 1 343.380 1.591 20 5 EDBDMO 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ZINC000344232331 142943581 /nfs/dbraw/zinc/94/35/81/142943581.db2.gz GRSIBPMINANTGQ-STQMWFEESA-N 1 1 335.408 1.789 20 5 EDBDMO COc1ccccc1[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000345605244 143111133 /nfs/dbraw/zinc/11/11/33/143111133.db2.gz WNEDAZOCKHMNEU-LBPRGKRZSA-N 1 1 347.375 1.370 20 5 EDBDMO COCCN1C(=O)N[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000345686103 143121307 /nfs/dbraw/zinc/12/13/07/143121307.db2.gz OAXXRRFWWZBXIH-HOTGVXAUSA-N 1 1 348.403 1.252 20 5 EDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346205709 143178732 /nfs/dbraw/zinc/17/87/32/143178732.db2.gz VHNWLWXIKLGVCZ-GVXVVHGQSA-N 1 1 334.376 1.498 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346460033 143207124 /nfs/dbraw/zinc/20/71/24/143207124.db2.gz RIXXWTREAQHHSM-CQSZACIVSA-N 1 1 346.387 1.538 20 5 EDBDMO CC1=CC[N@@H+](CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000347250654 143300301 /nfs/dbraw/zinc/30/03/01/143300301.db2.gz TXXYVBUWYNTXOL-UHFFFAOYSA-N 1 1 346.387 1.093 20 5 EDBDMO Cc1[nH+]ccn1CCn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000347764022 143360025 /nfs/dbraw/zinc/36/00/25/143360025.db2.gz IDVODZZOOFCHPS-UHFFFAOYSA-N 1 1 327.138 1.724 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000353017977 149255496 /nfs/dbraw/zinc/25/54/96/149255496.db2.gz DFHVZPGSEOKPJT-VIFPVBQESA-N 1 1 329.303 1.755 20 5 EDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ncnn1C ZINC000353304275 149358859 /nfs/dbraw/zinc/35/88/59/149358859.db2.gz JXGSVLULHMTOKG-GHMZBOCLSA-N 1 1 332.364 1.791 20 5 EDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000353999454 149600512 /nfs/dbraw/zinc/60/05/12/149600512.db2.gz LDCGFXFNYMNVDB-GFCCVEGCSA-N 1 1 344.375 1.342 20 5 EDBDMO CC(C)(C)OC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369974942 155262138 /nfs/dbraw/zinc/26/21/38/155262138.db2.gz QQBWIFMCIZRNSN-OCCSQVGLSA-N 1 1 326.397 1.604 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000355321215 150215592 /nfs/dbraw/zinc/21/55/92/150215592.db2.gz UZUPHNNEVGBMJS-CVEARBPZSA-N 1 1 349.387 1.295 20 5 EDBDMO C[NH+](C)Cc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])no1 ZINC000355696713 150363705 /nfs/dbraw/zinc/36/37/05/150363705.db2.gz IXAQMCLNFFYXKU-UHFFFAOYSA-N 1 1 333.348 1.486 20 5 EDBDMO O=C([C@H]1CCCc2[nH+]ccn21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000356060285 150492262 /nfs/dbraw/zinc/49/22/62/150492262.db2.gz PJOLVCPJYRESQX-CYBMUJFWSA-N 1 1 344.375 1.729 20 5 EDBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000357776779 151148862 /nfs/dbraw/zinc/14/88/62/151148862.db2.gz XDWKFBDCLKDCND-NSHDSACASA-N 1 1 344.437 1.775 20 5 EDBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000358061528 151252479 /nfs/dbraw/zinc/25/24/79/151252479.db2.gz GRVAWQFKTOSPAE-ZDUSSCGKSA-N 1 1 347.293 1.410 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000360665350 152145148 /nfs/dbraw/zinc/14/51/48/152145148.db2.gz KKNOZQZAJHLQDF-ZYHUDNBSSA-N 1 1 327.406 1.664 20 5 EDBDMO CN1CC[NH+](C2(CNC(=O)[C@H]3CC3[N+](=O)[O-])CCCCCC2)CC1 ZINC000363969900 153110251 /nfs/dbraw/zinc/11/02/51/153110251.db2.gz LZQYSGIJGIMCDL-LSDHHAIUSA-N 1 1 338.452 1.108 20 5 EDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000364219312 153177993 /nfs/dbraw/zinc/17/79/93/153177993.db2.gz VYBPAWKEMANVOW-LLVKDONJSA-N 1 1 325.340 1.263 20 5 EDBDMO Cn1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364445892 153239706 /nfs/dbraw/zinc/23/97/06/153239706.db2.gz HINJJJOTSJMXRO-OAHLLOKOSA-N 1 1 328.372 1.952 20 5 EDBDMO Cn1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364445891 153239907 /nfs/dbraw/zinc/23/99/07/153239907.db2.gz HINJJJOTSJMXRO-HNNXBMFYSA-N 1 1 328.372 1.952 20 5 EDBDMO C[N@H+]1CCC[C@@H](N2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000364553300 153268035 /nfs/dbraw/zinc/26/80/35/153268035.db2.gz BNDQSDPNLSQDNN-MRXNPFEDSA-N 1 1 348.447 1.685 20 5 EDBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000364589035 153279912 /nfs/dbraw/zinc/27/99/12/153279912.db2.gz CEGXIOUPIWDDRX-UHFFFAOYSA-N 1 1 327.406 1.575 20 5 EDBDMO NC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000364794219 153336026 /nfs/dbraw/zinc/33/60/26/153336026.db2.gz RNPMXUJLAWCCFH-LBPRGKRZSA-N 1 1 329.360 1.796 20 5 EDBDMO CCc1ccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000371844088 156136263 /nfs/dbraw/zinc/13/62/63/156136263.db2.gz IRKHOPXSCCRTDZ-CABCVRRESA-N 1 1 333.388 1.750 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3ncccc3C2)c1 ZINC000372155781 156246753 /nfs/dbraw/zinc/24/67/53/156246753.db2.gz HGLDUOITCZPHBM-OAHLLOKOSA-N 1 1 329.356 1.788 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3ncccc3C2)c1 ZINC000372155781 156246756 /nfs/dbraw/zinc/24/67/56/156246756.db2.gz HGLDUOITCZPHBM-OAHLLOKOSA-N 1 1 329.356 1.788 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372334180 156339959 /nfs/dbraw/zinc/33/99/59/156339959.db2.gz ZINVLBLTYGPTFT-NSHDSACASA-N 1 1 335.324 1.233 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000374534684 157321366 /nfs/dbraw/zinc/32/13/66/157321366.db2.gz NKWYWSKMUWTXCA-GFCCVEGCSA-N 1 1 347.375 1.980 20 5 EDBDMO CC[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000378322755 158140490 /nfs/dbraw/zinc/14/04/90/158140490.db2.gz XORPHSZLFWSPME-JKSUJKDBSA-N 1 1 332.404 1.552 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408236774 158306708 /nfs/dbraw/zinc/30/67/08/158306708.db2.gz NTRMJRZDRXCPRQ-QWHCGFSZSA-N 1 1 341.433 1.864 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](CCO)CC1CC1 ZINC000352469804 162198752 /nfs/dbraw/zinc/19/87/52/162198752.db2.gz ZHTLDNBLZWMDOF-LLVKDONJSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1cc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000352545282 162244201 /nfs/dbraw/zinc/24/42/01/162244201.db2.gz IAVKYWUVMJBLLO-GFCCVEGCSA-N 1 1 343.405 1.104 20 5 EDBDMO COc1cc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000352545282 162244203 /nfs/dbraw/zinc/24/42/03/162244203.db2.gz IAVKYWUVMJBLLO-GFCCVEGCSA-N 1 1 343.405 1.104 20 5 EDBDMO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000123946405 287392458 /nfs/dbraw/zinc/39/24/58/287392458.db2.gz PVHXDXSYVJXDKE-IUCAKERBSA-N 1 1 333.797 1.619 20 5 EDBDMO Cc1cc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000123175809 222229383 /nfs/dbraw/zinc/22/93/83/222229383.db2.gz JECSYYOSJCXCFQ-QGZVFWFLSA-N 1 1 348.447 1.905 20 5 EDBDMO O=[N+]([O-])c1cnc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nc1 ZINC000273904320 268091681 /nfs/dbraw/zinc/09/16/81/268091681.db2.gz IDBJJLSLEMCTFH-OAHLLOKOSA-N 1 1 329.360 1.564 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000275145952 268287083 /nfs/dbraw/zinc/28/70/83/268287083.db2.gz QCSRFNKFUDYAPH-ZDUSSCGKSA-N 1 1 346.387 1.075 20 5 EDBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCc2[nH+]ccn2C1 ZINC000275348639 268327757 /nfs/dbraw/zinc/32/77/57/268327757.db2.gz MIAQIJHCLGSRON-GFCCVEGCSA-N 1 1 329.360 1.853 20 5 EDBDMO COCCO[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000275553558 268360070 /nfs/dbraw/zinc/36/00/70/268360070.db2.gz NBQPUSTUXITXGD-HOCLYGCPSA-N 1 1 340.376 1.072 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000274330397 273084320 /nfs/dbraw/zinc/08/43/20/273084320.db2.gz AGLBEZTWCOUEAH-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000274330397 273084321 /nfs/dbraw/zinc/08/43/21/273084321.db2.gz AGLBEZTWCOUEAH-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO Cn1ccnc(N2CCC[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1=O ZINC000275595494 273112077 /nfs/dbraw/zinc/11/20/77/273112077.db2.gz QAQRYYPGTZHDAC-AWEZNQCLSA-N 1 1 343.387 1.447 20 5 EDBDMO CCOC(=O)c1cc(C(=O)NCC[N@H+]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000279777231 273326699 /nfs/dbraw/zinc/32/66/99/273326699.db2.gz CAJAEIQHGDCZCM-UHFFFAOYSA-N 1 1 347.371 1.763 20 5 EDBDMO CCOC(=O)c1cc(C(=O)NCC[N@@H+]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000279777231 273326700 /nfs/dbraw/zinc/32/67/00/273326700.db2.gz CAJAEIQHGDCZCM-UHFFFAOYSA-N 1 1 347.371 1.763 20 5 EDBDMO COCC[N@@H+]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000125505133 274030555 /nfs/dbraw/zinc/03/05/55/274030555.db2.gz PKIIXCGKIHSMDD-NSHDSACASA-N 1 1 327.356 1.899 20 5 EDBDMO COCC[N@H+]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000125505133 274030558 /nfs/dbraw/zinc/03/05/58/274030558.db2.gz PKIIXCGKIHSMDD-NSHDSACASA-N 1 1 327.356 1.899 20 5 EDBDMO COc1ccc(OCC[N@H+]2C[C@H](OC)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000284471104 274214155 /nfs/dbraw/zinc/21/41/55/274214155.db2.gz BHUSEUACFOMGKQ-WCQYABFASA-N 1 1 326.349 1.064 20 5 EDBDMO C[N@H+]1CCO[C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@H]21 ZINC000284949079 274399061 /nfs/dbraw/zinc/39/90/61/274399061.db2.gz JQVLGEYHTILJGX-KGLIPLIRSA-N 1 1 345.359 1.153 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)nc1-c1ccc(F)cc1 ZINC000362348051 275036231 /nfs/dbraw/zinc/03/62/31/275036231.db2.gz CSVVOSCVWSYHPE-UHFFFAOYSA-N 1 1 346.362 1.910 20 5 EDBDMO CC(=O)c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000375773665 275504005 /nfs/dbraw/zinc/50/40/05/275504005.db2.gz LMKHKNSGJZWBMC-DOTOQJQBSA-N 1 1 333.388 1.833 20 5 EDBDMO CC[N@@H+](C)CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000117259829 276069044 /nfs/dbraw/zinc/06/90/44/276069044.db2.gz MKYWVZKDVITOKD-UHFFFAOYSA-N 1 1 342.783 1.046 20 5 EDBDMO CC[N@@H+]1CCO[C@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000363959290 276393147 /nfs/dbraw/zinc/39/31/47/276393147.db2.gz GSLROAPSLGMBNN-HNNXBMFYSA-N 1 1 334.420 1.438 20 5 EDBDMO CC[N@H+]1CCO[C@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000363959290 276393148 /nfs/dbraw/zinc/39/31/48/276393148.db2.gz GSLROAPSLGMBNN-HNNXBMFYSA-N 1 1 334.420 1.438 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@@H]21 ZINC000408465497 277149369 /nfs/dbraw/zinc/14/93/69/277149369.db2.gz KKHIPSBHQGTQTO-ABAIWWIYSA-N 1 1 326.356 1.919 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC000345565203 277180018 /nfs/dbraw/zinc/18/00/18/277180018.db2.gz HHDGIRBIKYQPIA-HUUCEWRRSA-N 1 1 344.371 1.621 20 5 EDBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286429466 288003726 /nfs/dbraw/zinc/00/37/26/288003726.db2.gz BOILCROVVPLRLC-OAHLLOKOSA-N 1 1 333.436 1.783 20 5 EDBDMO CC[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000286624071 288048479 /nfs/dbraw/zinc/04/84/79/288048479.db2.gz SEYYEBQROOUDOE-GFCCVEGCSA-N 1 1 336.392 1.568 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266164898 288079325 /nfs/dbraw/zinc/07/93/25/288079325.db2.gz IEBAYLLQOIBYQA-ZYHUDNBSSA-N 1 1 345.396 1.695 20 5 EDBDMO C[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000338794162 288257368 /nfs/dbraw/zinc/25/73/68/288257368.db2.gz KVDKARVGTKBVEG-GASCZTMLSA-N 1 1 348.447 1.956 20 5 EDBDMO COCC[N@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000287679722 288293585 /nfs/dbraw/zinc/29/35/85/288293585.db2.gz DERKAXOAPVXFFU-JTQLQIEISA-N 1 1 337.405 1.756 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000151605201 281259669 /nfs/dbraw/zinc/25/96/69/281259669.db2.gz ROMWRAIIFFTHAC-OAHLLOKOSA-N 1 1 332.404 1.646 20 5 EDBDMO CCc1nn(C)c(N2CCN(c3ccc(N)[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000288203539 288430288 /nfs/dbraw/zinc/43/02/88/288430288.db2.gz SXEAVGNGGDRGHK-UHFFFAOYSA-N 1 1 331.380 1.195 20 5 EDBDMO CCS(=O)(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000289432424 288699638 /nfs/dbraw/zinc/69/96/38/288699638.db2.gz KXEPKHCVKITJQA-UHFFFAOYSA-N 1 1 327.406 1.499 20 5 EDBDMO CCCn1cc[nH+]c1CCCN(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291030133 288991845 /nfs/dbraw/zinc/99/18/45/288991845.db2.gz YNTTVWYTTODPDZ-UHFFFAOYSA-N 1 1 346.391 1.764 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292086590 289258170 /nfs/dbraw/zinc/25/81/70/289258170.db2.gz GGVCKKIUOFKQFN-SUMWQHHRSA-N 1 1 332.404 1.949 20 5 EDBDMO CCCc1n[nH]c(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295286813 303199489 /nfs/dbraw/zinc/19/94/89/303199489.db2.gz IFNDDFBQJFBZJE-LLVKDONJSA-N 1 1 335.408 1.827 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295286813 303199490 /nfs/dbraw/zinc/19/94/90/303199490.db2.gz IFNDDFBQJFBZJE-LLVKDONJSA-N 1 1 335.408 1.827 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295286813 303199492 /nfs/dbraw/zinc/19/94/92/303199492.db2.gz IFNDDFBQJFBZJE-LLVKDONJSA-N 1 1 335.408 1.827 20 5 EDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1C[N@H+](C)CCO1 ZINC000295530462 303230627 /nfs/dbraw/zinc/23/06/27/303230627.db2.gz NGZMNXSDXKSGNA-LBPRGKRZSA-N 1 1 332.360 1.894 20 5 EDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1C[N@@H+](C)CCO1 ZINC000295530462 303230628 /nfs/dbraw/zinc/23/06/28/303230628.db2.gz NGZMNXSDXKSGNA-LBPRGKRZSA-N 1 1 332.360 1.894 20 5 EDBDMO CN(C)C(=O)O[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295703193 303255228 /nfs/dbraw/zinc/25/52/28/303255228.db2.gz UDCSPCWGWOKQQU-LSDHHAIUSA-N 1 1 337.376 1.791 20 5 EDBDMO CN(C)C(=O)O[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295703193 303255229 /nfs/dbraw/zinc/25/52/29/303255229.db2.gz UDCSPCWGWOKQQU-LSDHHAIUSA-N 1 1 337.376 1.791 20 5 EDBDMO COC[C@H](C)[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301434243 303678201 /nfs/dbraw/zinc/67/82/01/303678201.db2.gz WILNPYKMVMUHLV-NSHDSACASA-N 1 1 347.375 1.401 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430640522 305060719 /nfs/dbraw/zinc/06/07/19/305060719.db2.gz RDGISVCPOWPLDA-GDBMZVCRSA-N 1 1 346.431 1.800 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430640522 305060720 /nfs/dbraw/zinc/06/07/20/305060720.db2.gz RDGISVCPOWPLDA-GDBMZVCRSA-N 1 1 346.431 1.800 20 5 EDBDMO C[NH2+]CC1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430934739 305069073 /nfs/dbraw/zinc/06/90/73/305069073.db2.gz NNLSHHVSJLOAJF-INIZCTEOSA-N 1 1 332.404 1.632 20 5 EDBDMO C[C@H]([NH3+])C1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430958181 305070947 /nfs/dbraw/zinc/07/09/47/305070947.db2.gz RQXXNQBYZDPOPV-LRDDRELGSA-N 1 1 332.404 1.759 20 5 EDBDMO C[N@H+]1CCO[C@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C[C@@H]21 ZINC000436399007 305156733 /nfs/dbraw/zinc/15/67/33/305156733.db2.gz BZLKSMRLWDMJSZ-QWRGUYRKSA-N 1 1 332.282 1.528 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000448915918 305303924 /nfs/dbraw/zinc/30/39/24/305303924.db2.gz FKIJBCSNIILVDV-SNVBAGLBSA-N 1 1 325.340 1.957 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000043784197 440798703 /nfs/dbraw/zinc/79/87/03/440798703.db2.gz GVXPZIDZGFRRQW-GFCCVEGCSA-N 1 1 348.403 1.722 20 5 EDBDMO Cn1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1=O ZINC000072665096 441247357 /nfs/dbraw/zinc/24/73/57/441247357.db2.gz KVXBKRPJKYPXPD-ZDUSSCGKSA-N 1 1 329.360 1.375 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000107886842 441432755 /nfs/dbraw/zinc/43/27/55/441432755.db2.gz JXLJUWHFWJSJIE-ZDUSSCGKSA-N 1 1 343.387 1.852 20 5 EDBDMO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000052691434 441469446 /nfs/dbraw/zinc/46/94/46/441469446.db2.gz WSPUKFNMKWSJMF-CYBMUJFWSA-N 1 1 327.406 1.356 20 5 EDBDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000052691434 441469451 /nfs/dbraw/zinc/46/94/51/441469451.db2.gz WSPUKFNMKWSJMF-CYBMUJFWSA-N 1 1 327.406 1.356 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108406627 441452574 /nfs/dbraw/zinc/45/25/74/441452574.db2.gz YFVIQQLRDRDDAR-NSHDSACASA-N 1 1 343.405 1.224 20 5 EDBDMO C[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[N+](=O)[O-] ZINC000052589592 441462589 /nfs/dbraw/zinc/46/25/89/441462589.db2.gz OEVYGVQRKBAMQK-UHFFFAOYSA-N 1 1 334.376 1.747 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)nc1-c1ccccc1 ZINC000090065804 441618292 /nfs/dbraw/zinc/61/82/92/441618292.db2.gz OAYZSRXBCALOCT-UHFFFAOYSA-N 1 1 328.372 1.771 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCO)CCc1ccccc1 ZINC000090549041 441633844 /nfs/dbraw/zinc/63/38/44/441633844.db2.gz UOJPHDHEEQVRHW-UHFFFAOYSA-N 1 1 331.372 1.294 20 5 EDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)CN1CC[NH+](C)CC1 ZINC000114379675 441651217 /nfs/dbraw/zinc/65/12/17/441651217.db2.gz UVAXDZABLKKHDT-GFCCVEGCSA-N 1 1 338.383 1.347 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+](C)CC(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000041895475 441681514 /nfs/dbraw/zinc/68/15/14/441681514.db2.gz KXVGRECDQYVXOG-UHFFFAOYSA-N 1 1 348.403 1.786 20 5 EDBDMO C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@H+]1CCc2sccc2C1 ZINC000076677105 441674895 /nfs/dbraw/zinc/67/48/95/441674895.db2.gz JRQYLOFPBJUQNP-SECBINFHSA-N 1 1 334.405 1.887 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1C ZINC000173410067 441740373 /nfs/dbraw/zinc/74/03/73/441740373.db2.gz GHOZECIGXLQOJV-ZDUSSCGKSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1C ZINC000173410067 441740379 /nfs/dbraw/zinc/74/03/79/441740379.db2.gz GHOZECIGXLQOJV-ZDUSSCGKSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1c(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000042579180 441752381 /nfs/dbraw/zinc/75/23/81/441752381.db2.gz YKYLFDOJYLAJMN-QGZVFWFLSA-N 1 1 348.447 1.905 20 5 EDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000115585889 441761975 /nfs/dbraw/zinc/76/19/75/441761975.db2.gz ISWKXJPMADFLEV-NSHDSACASA-N 1 1 345.396 1.696 20 5 EDBDMO COc1ccccc1[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+](C)C ZINC000158937128 441773252 /nfs/dbraw/zinc/77/32/52/441773252.db2.gz CUXBTBOHLSAHNK-LLVKDONJSA-N 1 1 333.348 1.359 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000115717059 441773533 /nfs/dbraw/zinc/77/35/33/441773533.db2.gz QCVQGSPWAIQMOY-CYBMUJFWSA-N 1 1 348.403 1.125 20 5 EDBDMO C[N@H+]1CCC[C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000139998789 441830041 /nfs/dbraw/zinc/83/00/41/441830041.db2.gz WNLAMHVTTMMRPE-ZFWWWQNUSA-N 1 1 332.404 1.949 20 5 EDBDMO Cc1nc(NC2CCN(C3CC[NH+](C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000450289423 447442935 /nfs/dbraw/zinc/44/29/35/447442935.db2.gz BPVJQBPXJGBGHJ-UHFFFAOYSA-N 1 1 334.424 1.664 20 5 EDBDMO COc1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000078983205 442003797 /nfs/dbraw/zinc/00/37/97/442003797.db2.gz IUSBTQFNTSWKLM-UHFFFAOYSA-N 1 1 343.405 1.368 20 5 EDBDMO COc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000125489162 442025715 /nfs/dbraw/zinc/02/57/15/442025715.db2.gz BDTOJYOWMQUGQY-GHMZBOCLSA-N 1 1 327.356 1.634 20 5 EDBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176235792 442197749 /nfs/dbraw/zinc/19/77/49/442197749.db2.gz MGGKEKLXFYMWDB-NSHDSACASA-N 1 1 325.369 1.390 20 5 EDBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176235792 442197755 /nfs/dbraw/zinc/19/77/55/442197755.db2.gz MGGKEKLXFYMWDB-NSHDSACASA-N 1 1 325.369 1.390 20 5 EDBDMO CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152353773 442201172 /nfs/dbraw/zinc/20/11/72/442201172.db2.gz AVKGMWFWTMGBAY-CQSZACIVSA-N 1 1 346.431 1.758 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170737348 442255272 /nfs/dbraw/zinc/25/52/72/442255272.db2.gz JWITWBHRQMDJQP-QWHCGFSZSA-N 1 1 348.403 1.899 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170737348 442255273 /nfs/dbraw/zinc/25/52/73/442255273.db2.gz JWITWBHRQMDJQP-QWHCGFSZSA-N 1 1 348.403 1.899 20 5 EDBDMO C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000128156028 442248672 /nfs/dbraw/zinc/24/86/72/442248672.db2.gz DIPHMLFBSCHYCZ-ZFWWWQNUSA-N 1 1 334.420 1.833 20 5 EDBDMO Cc1nn(C)c(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000128533421 442273156 /nfs/dbraw/zinc/27/31/56/442273156.db2.gz IVPQRIZEAWGVCA-LLVKDONJSA-N 1 1 337.424 1.877 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000128548339 442273415 /nfs/dbraw/zinc/27/34/15/442273415.db2.gz NVLFQOZZTSJNIK-PBHICJAKSA-N 1 1 333.388 1.821 20 5 EDBDMO CCN1CC[NH+](CCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000171261807 442335302 /nfs/dbraw/zinc/33/53/02/442335302.db2.gz RYSQNDOLIGPDAU-AWEZNQCLSA-N 1 1 334.420 1.800 20 5 EDBDMO C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154809271 442357991 /nfs/dbraw/zinc/35/79/91/442357991.db2.gz RIDTYADYFKTAJV-MEDUHNTESA-N 1 1 348.403 1.618 20 5 EDBDMO C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154809271 442357993 /nfs/dbraw/zinc/35/79/93/442357993.db2.gz RIDTYADYFKTAJV-MEDUHNTESA-N 1 1 348.403 1.618 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000172233287 442427133 /nfs/dbraw/zinc/42/71/33/442427133.db2.gz XOLBGZQEMLFJPV-GFCCVEGCSA-N 1 1 327.406 1.839 20 5 EDBDMO CC[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000172233287 442427135 /nfs/dbraw/zinc/42/71/35/442427135.db2.gz XOLBGZQEMLFJPV-GFCCVEGCSA-N 1 1 327.406 1.839 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172415880 442457296 /nfs/dbraw/zinc/45/72/96/442457296.db2.gz GQKABOXRWJCKMK-UHFFFAOYSA-N 1 1 348.403 1.233 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000186165697 442476586 /nfs/dbraw/zinc/47/65/86/442476586.db2.gz UZTNFURKZFSYSS-OKFGHLOFSA-N 1 1 346.431 1.750 20 5 EDBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000134412069 442480117 /nfs/dbraw/zinc/48/01/17/442480117.db2.gz SNGQBUCQUOPTBA-GFCCVEGCSA-N 1 1 337.351 1.528 20 5 EDBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000178951053 442535789 /nfs/dbraw/zinc/53/57/89/442535789.db2.gz VNNJUTDDHOUGOU-CYBMUJFWSA-N 1 1 343.449 1.787 20 5 EDBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000178953028 442536320 /nfs/dbraw/zinc/53/63/20/442536320.db2.gz WBDZFCAWZHSBJP-HNNXBMFYSA-N 1 1 341.433 1.493 20 5 EDBDMO C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000179910082 442518080 /nfs/dbraw/zinc/51/80/80/442518080.db2.gz BLZYMRMENDWABI-UHFFFAOYSA-N 1 1 329.303 1.974 20 5 EDBDMO C[C@@H]1C[N@H+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000173010837 442583968 /nfs/dbraw/zinc/58/39/68/442583968.db2.gz XPYGJPUYLMLTBA-OKILXGFUSA-N 1 1 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COc1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1C ZINC000616392634 450410008 /nfs/dbraw/zinc/41/00/08/450410008.db2.gz CRYAGZJSTNOOIL-XHDPSFHLSA-N 1 1 337.376 1.361 20 5 EDBDMO COc1cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1C ZINC000616392634 450410010 /nfs/dbraw/zinc/41/00/10/450410010.db2.gz CRYAGZJSTNOOIL-XHDPSFHLSA-N 1 1 337.376 1.361 20 5 EDBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000299363464 444028884 /nfs/dbraw/zinc/02/88/84/444028884.db2.gz STSZGXRJTMIYNO-LBPRGKRZSA-N 1 1 347.371 1.676 20 5 EDBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000299363464 444028888 /nfs/dbraw/zinc/02/88/88/444028888.db2.gz STSZGXRJTMIYNO-LBPRGKRZSA-N 1 1 347.371 1.676 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000289199466 444075615 /nfs/dbraw/zinc/07/56/15/444075615.db2.gz BFWYIAHRGHOETQ-PBHICJAKSA-N 1 1 346.387 1.856 20 5 EDBDMO [NH3+]CCC1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000565542607 321190803 /nfs/dbraw/zinc/19/08/03/321190803.db2.gz FOFVYHXHABDUII-MRXNPFEDSA-N 1 1 332.404 1.761 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278106381 444097045 /nfs/dbraw/zinc/09/70/45/444097045.db2.gz RHMHNTGTQLTERO-GFCCVEGCSA-N 1 1 346.391 1.755 20 5 EDBDMO COCC[N@@H+](C)C[C@@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000568532157 321296104 /nfs/dbraw/zinc/29/61/04/321296104.db2.gz AGJHDYBGFCNTAH-CQSZACIVSA-N 1 1 334.376 1.397 20 5 EDBDMO COCC[N@@H+](C)C[C@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000568532156 321296193 /nfs/dbraw/zinc/29/61/93/321296193.db2.gz AGJHDYBGFCNTAH-AWEZNQCLSA-N 1 1 334.376 1.397 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000278354532 444145295 /nfs/dbraw/zinc/14/52/95/444145295.db2.gz BAEOJIBFXIZFTH-GFCCVEGCSA-N 1 1 339.367 1.965 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000289634479 444184126 /nfs/dbraw/zinc/18/41/26/444184126.db2.gz CVHMPPZUUCHNKJ-UHFFFAOYSA-N 1 1 341.387 1.739 20 5 EDBDMO CN(CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)CC[NH+](C)C ZINC000289634479 444184127 /nfs/dbraw/zinc/18/41/27/444184127.db2.gz CVHMPPZUUCHNKJ-UHFFFAOYSA-N 1 1 341.387 1.739 20 5 EDBDMO CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296805475 444256108 /nfs/dbraw/zinc/25/61/08/444256108.db2.gz UNIZUHZSJPOONL-LBPRGKRZSA-N 1 1 336.392 1.230 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000290712424 444313948 /nfs/dbraw/zinc/31/39/48/444313948.db2.gz XRJSUQMQPOIUKI-JTQLQIEISA-N 1 1 330.410 1.384 20 5 EDBDMO C[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000305718768 444274836 /nfs/dbraw/zinc/27/48/36/444274836.db2.gz ISEKMALZRFBKMN-QMMMGPOBSA-N 1 1 346.181 1.608 20 5 EDBDMO C[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000305718768 444274837 /nfs/dbraw/zinc/27/48/37/444274837.db2.gz ISEKMALZRFBKMN-QMMMGPOBSA-N 1 1 346.181 1.608 20 5 EDBDMO CC[N@H+]1CCCC[C@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000340017451 444354694 /nfs/dbraw/zinc/35/46/94/444354694.db2.gz XUSLRTLGEXXEOV-LBPRGKRZSA-N 1 1 336.392 2.371 20 5 EDBDMO O=C1COc2cc([N+](=O)[O-])c(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2N1 ZINC000327488237 444383109 /nfs/dbraw/zinc/38/31/09/444383109.db2.gz XMKJXONLQJBKMG-GHMZBOCLSA-N 1 1 348.359 1.201 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000331076382 444384355 /nfs/dbraw/zinc/38/43/55/444384355.db2.gz WLFSOYCENPDJTK-LBPRGKRZSA-N 1 1 337.424 1.703 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000331076382 444384357 /nfs/dbraw/zinc/38/43/57/444384357.db2.gz WLFSOYCENPDJTK-LBPRGKRZSA-N 1 1 337.424 1.703 20 5 EDBDMO CCCCN1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000580640516 322077016 /nfs/dbraw/zinc/07/70/16/322077016.db2.gz BLNPINCWCRGLGA-OAHLLOKOSA-N 1 1 325.413 1.006 20 5 EDBDMO CC(C)(C)c1ccc(NC(=O)C(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000342192040 444556354 /nfs/dbraw/zinc/55/63/54/444556354.db2.gz IAHJYIAQCVRYGS-UHFFFAOYSA-N 1 1 348.403 1.653 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343992295 444714006 /nfs/dbraw/zinc/71/40/06/444714006.db2.gz USIXYXKXHMKZOZ-YPMHNXCESA-N 1 1 327.406 1.664 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343992295 444714009 /nfs/dbraw/zinc/71/40/09/444714009.db2.gz USIXYXKXHMKZOZ-YPMHNXCESA-N 1 1 327.406 1.664 20 5 EDBDMO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000338591230 444761323 /nfs/dbraw/zinc/76/13/23/444761323.db2.gz DWORJQVEVIKBTH-GFCCVEGCSA-N 1 1 345.359 1.792 20 5 EDBDMO COc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344114478 444788570 /nfs/dbraw/zinc/78/85/70/444788570.db2.gz VWJFUSJQNZKIJB-CMPLNLGQSA-N 1 1 343.405 1.364 20 5 EDBDMO COc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344114478 444788571 /nfs/dbraw/zinc/78/85/71/444788571.db2.gz VWJFUSJQNZKIJB-CMPLNLGQSA-N 1 1 343.405 1.364 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344440834 444973275 /nfs/dbraw/zinc/97/32/75/444973275.db2.gz YITSPGIDKGYBGW-AAEUAGOBSA-N 1 1 334.376 1.441 20 5 EDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342919677 444940995 /nfs/dbraw/zinc/94/09/95/444940995.db2.gz ISZLBNJYVBGVJT-GFCCVEGCSA-N 1 1 346.387 1.917 20 5 EDBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339026443 444994622 /nfs/dbraw/zinc/99/46/22/444994622.db2.gz YVRDFZVDBVZXAM-QWRGUYRKSA-N 1 1 340.405 1.281 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000339046562 445006724 /nfs/dbraw/zinc/00/67/24/445006724.db2.gz BBZPOBJBWLXUHH-LBPRGKRZSA-N 1 1 339.417 1.672 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000339046562 445006726 /nfs/dbraw/zinc/00/67/26/445006726.db2.gz BBZPOBJBWLXUHH-LBPRGKRZSA-N 1 1 339.417 1.672 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000330587294 445048195 /nfs/dbraw/zinc/04/81/95/445048195.db2.gz MEDICGJLTRDJJC-RYUDHWBXSA-N 1 1 336.392 1.566 20 5 EDBDMO O=C(CC[N@@H+]1CCc2cncnc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337334851 445036719 /nfs/dbraw/zinc/03/67/19/445036719.db2.gz LGTUYQVDUMVLFS-UHFFFAOYSA-N 1 1 327.344 1.772 20 5 EDBDMO O=C(CC[N@H+]1CCc2cncnc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337334851 445036721 /nfs/dbraw/zinc/03/67/21/445036721.db2.gz LGTUYQVDUMVLFS-UHFFFAOYSA-N 1 1 327.344 1.772 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000330568635 445039065 /nfs/dbraw/zinc/03/90/65/445039065.db2.gz BYRCWOLKOIIUIK-VXGBXAGGSA-N 1 1 344.375 1.340 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000330568635 445039071 /nfs/dbraw/zinc/03/90/71/445039071.db2.gz BYRCWOLKOIIUIK-VXGBXAGGSA-N 1 1 344.375 1.340 20 5 EDBDMO C[N@H+]1CCO[C@@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]21 ZINC000343279553 445175404 /nfs/dbraw/zinc/17/54/04/445175404.db2.gz JIVGNYADOMFMRB-ZIAGYGMSSA-N 1 1 329.360 1.447 20 5 EDBDMO O=C(NC1CC1)[C@H](O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000343413124 445218053 /nfs/dbraw/zinc/21/80/53/445218053.db2.gz QIGXCIKLLURQFF-MRXNPFEDSA-N 1 1 333.388 1.446 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000354507004 445269802 /nfs/dbraw/zinc/26/98/02/445269802.db2.gz NUMFXZUUNHDPHF-SNVBAGLBSA-N 1 1 340.355 1.517 20 5 EDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1C[C@@H](F)CN1c1ccncn1 ZINC000348182808 445307862 /nfs/dbraw/zinc/30/78/62/445307862.db2.gz RQXBKSDVEWPXOJ-OLZOCXBDSA-N 1 1 349.370 1.130 20 5 EDBDMO COc1c(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000356986669 445362272 /nfs/dbraw/zinc/36/22/72/445362272.db2.gz QOAZLVFYCCDKMD-GFCCVEGCSA-N 1 1 337.376 1.132 20 5 EDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357180828 445470209 /nfs/dbraw/zinc/47/02/09/445470209.db2.gz BUVVETBRHQSOCD-FRRDWIJNSA-N 1 1 347.419 1.930 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000360008748 445526175 /nfs/dbraw/zinc/52/61/75/445526175.db2.gz YLXUMQFEXNZVJN-QWHCGFSZSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000360008748 445526178 /nfs/dbraw/zinc/52/61/78/445526178.db2.gz YLXUMQFEXNZVJN-QWHCGFSZSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1c(CNc2cc[nH+]c(N3CCOCC3)n2)cccc1[N+](=O)[O-] ZINC000357867300 445587802 /nfs/dbraw/zinc/58/78/02/445587802.db2.gz UTFMGEKLAUEIGC-UHFFFAOYSA-N 1 1 329.360 2.142 20 5 EDBDMO Cc1ccnc(NC[C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000363135492 445691525 /nfs/dbraw/zinc/69/15/25/445691525.db2.gz VNKJRDPKDZXSAR-AWEZNQCLSA-N 1 1 330.392 1.929 20 5 EDBDMO CN(C)c1ncc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000356454911 445798739 /nfs/dbraw/zinc/79/87/39/445798739.db2.gz LSAHUUXWOZBMGK-UHFFFAOYSA-N 1 1 331.376 1.962 20 5 EDBDMO CN(C)c1ncc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000356454911 445798743 /nfs/dbraw/zinc/79/87/43/445798743.db2.gz LSAHUUXWOZBMGK-UHFFFAOYSA-N 1 1 331.376 1.962 20 5 EDBDMO C[C@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1N(C)C ZINC000358837413 445802420 /nfs/dbraw/zinc/80/24/20/445802420.db2.gz XRFPWSLOVAGVFP-WFASDCNBSA-N 1 1 348.403 1.775 20 5 EDBDMO C[C@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1N(C)C ZINC000358837413 445802423 /nfs/dbraw/zinc/80/24/23/445802423.db2.gz XRFPWSLOVAGVFP-WFASDCNBSA-N 1 1 348.403 1.775 20 5 EDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000356855542 446074434 /nfs/dbraw/zinc/07/44/34/446074434.db2.gz QDSVIIHEZLJKCG-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000356855542 446074441 /nfs/dbraw/zinc/07/44/41/446074441.db2.gz QDSVIIHEZLJKCG-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000356874973 446087452 /nfs/dbraw/zinc/08/74/52/446087452.db2.gz IEDOQFFBQKQDFH-WDEREUQCSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000356874973 446087458 /nfs/dbraw/zinc/08/74/58/446087458.db2.gz IEDOQFFBQKQDFH-WDEREUQCSA-N 1 1 337.376 1.777 20 5 EDBDMO CN1CCC[C@@]2(CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000370409856 446265692 /nfs/dbraw/zinc/26/56/92/446265692.db2.gz JKGRQYVPVGPNHY-KRWDZBQOSA-N 1 1 333.388 1.918 20 5 EDBDMO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000366626865 446284835 /nfs/dbraw/zinc/28/48/35/446284835.db2.gz DDRBPOXESWYJOR-UHFFFAOYSA-N 1 1 344.371 1.738 20 5 EDBDMO CCn1nc2c(cc1=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000366626865 446284839 /nfs/dbraw/zinc/28/48/39/446284839.db2.gz DDRBPOXESWYJOR-UHFFFAOYSA-N 1 1 344.371 1.738 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000366767139 446341307 /nfs/dbraw/zinc/34/13/07/446341307.db2.gz LGPBGKJJXLCERI-UHFFFAOYSA-N 1 1 337.420 1.882 20 5 EDBDMO [NH3+]CC(F)(F)CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420247806 446430337 /nfs/dbraw/zinc/43/03/37/446430337.db2.gz VSIJUXMLBJDPDG-UHFFFAOYSA-N 1 1 330.335 1.433 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000411251543 446445180 /nfs/dbraw/zinc/44/51/80/446445180.db2.gz IBGXKIOBFDZJHD-OLZOCXBDSA-N 1 1 348.403 1.749 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000411589901 446618513 /nfs/dbraw/zinc/61/85/13/446618513.db2.gz IJAKVVZASLKZAB-CQSZACIVSA-N 1 1 348.403 1.783 20 5 EDBDMO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000375211099 446646359 /nfs/dbraw/zinc/64/63/59/446646359.db2.gz MUZBZJANZFZLIA-CYBMUJFWSA-N 1 1 331.332 1.420 20 5 EDBDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000375211099 446646364 /nfs/dbraw/zinc/64/63/64/446646364.db2.gz MUZBZJANZFZLIA-CYBMUJFWSA-N 1 1 331.332 1.420 20 5 EDBDMO Cc1cc(NC(=O)C(=O)NCCCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000411607592 446625024 /nfs/dbraw/zinc/62/50/24/446625024.db2.gz SPHKKWDYVRTZPY-UHFFFAOYSA-N 1 1 348.403 1.832 20 5 EDBDMO CNS(=O)(=O)c1ccc(N(C)C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000420634667 446713313 /nfs/dbraw/zinc/71/33/13/446713313.db2.gz LEMMIUJMSUKVSN-LLVKDONJSA-N 1 1 342.421 1.033 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411956072 446759937 /nfs/dbraw/zinc/75/99/37/446759937.db2.gz QXYQCFCHZUJRFI-ZDUSSCGKSA-N 1 1 348.403 1.642 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000412031421 446793487 /nfs/dbraw/zinc/79/34/87/446793487.db2.gz ARGGLCHLQVWWAC-IHRRRGAJSA-N 1 1 333.388 1.935 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000412031421 446793490 /nfs/dbraw/zinc/79/34/90/446793490.db2.gz ARGGLCHLQVWWAC-IHRRRGAJSA-N 1 1 333.388 1.935 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000419002006 446858850 /nfs/dbraw/zinc/85/88/50/446858850.db2.gz LWIJABYPMDOFEA-NWDGAFQWSA-N 1 1 347.375 1.536 20 5 EDBDMO CNC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420974683 446947197 /nfs/dbraw/zinc/94/71/97/446947197.db2.gz MWWUSEYMXYDOAA-SECBINFHSA-N 1 1 340.767 1.255 20 5 EDBDMO CNC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420974683 446947201 /nfs/dbraw/zinc/94/72/01/446947201.db2.gz MWWUSEYMXYDOAA-SECBINFHSA-N 1 1 340.767 1.255 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000368669442 447019769 /nfs/dbraw/zinc/01/97/69/447019769.db2.gz PAGPBIHBCYSAMQ-UHFFFAOYSA-N 1 1 332.364 1.257 20 5 EDBDMO COCC[N@@H+](C)CCCNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000443448852 447051939 /nfs/dbraw/zinc/05/19/39/447051939.db2.gz AFAVTASXAGAZDS-UHFFFAOYSA-N 1 1 335.364 2.025 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000455156166 447066614 /nfs/dbraw/zinc/06/66/14/447066614.db2.gz CQBQJOAYBAHCDH-NSHDSACASA-N 1 1 338.364 1.134 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000455156166 447066621 /nfs/dbraw/zinc/06/66/21/447066621.db2.gz CQBQJOAYBAHCDH-NSHDSACASA-N 1 1 338.364 1.134 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000425218925 447069438 /nfs/dbraw/zinc/06/94/38/447069438.db2.gz ZOPZFFWDNKWOPC-GXTWGEPZSA-N 1 1 339.417 1.618 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C ZINC000413136161 447027486 /nfs/dbraw/zinc/02/74/86/447027486.db2.gz SPVYYZCQFMFLMR-ZJUUUORDSA-N 1 1 348.325 1.900 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421292398 447105658 /nfs/dbraw/zinc/10/56/58/447105658.db2.gz ARCLMSXVOMYUDK-ZDUSSCGKSA-N 1 1 348.403 1.703 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445897237 447204012 /nfs/dbraw/zinc/20/40/12/447204012.db2.gz NIHFMKYLIGKLTK-UHFFFAOYSA-N 1 1 329.360 1.868 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000425541495 447219930 /nfs/dbraw/zinc/21/99/30/447219930.db2.gz FZYBOAHOTMRARB-NWDGAFQWSA-N 1 1 344.375 1.838 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000425541495 447219933 /nfs/dbraw/zinc/21/99/33/447219933.db2.gz FZYBOAHOTMRARB-NWDGAFQWSA-N 1 1 344.375 1.838 20 5 EDBDMO CCOc1cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000372811658 447296278 /nfs/dbraw/zinc/29/62/78/447296278.db2.gz IPASUSCGXBBLBF-OAHLLOKOSA-N 1 1 335.404 1.900 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](CO)[C@@H]3CCCO3)co2)cc1 ZINC000447914984 447297606 /nfs/dbraw/zinc/29/76/06/447297606.db2.gz LXWRBIDZRJCUAI-CABCVRRESA-N 1 1 333.344 1.879 20 5 EDBDMO C[C@H]1C[N@H+](CCO)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000450951242 447632228 /nfs/dbraw/zinc/63/22/28/447632228.db2.gz FQEBGHURTRHRLY-NSHDSACASA-N 1 1 333.348 1.148 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000450951242 447632231 /nfs/dbraw/zinc/63/22/31/447632231.db2.gz FQEBGHURTRHRLY-NSHDSACASA-N 1 1 333.348 1.148 20 5 EDBDMO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000451081254 447672929 /nfs/dbraw/zinc/67/29/29/447672929.db2.gz DCZUJXSFXOOSPX-CQSZACIVSA-N 1 1 346.431 1.974 20 5 EDBDMO O=C1C[NH2+]CCN1[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420236197 447682132 /nfs/dbraw/zinc/68/21/32/447682132.db2.gz IOWPKMLURLVLQD-GFCCVEGCSA-N 1 1 338.795 1.649 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)n1 ZINC000451260099 447716500 /nfs/dbraw/zinc/71/65/00/447716500.db2.gz IIDVSEFYTGQCBS-GOEBONIOSA-N 1 1 334.351 1.591 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)n1 ZINC000451260099 447716503 /nfs/dbraw/zinc/71/65/03/447716503.db2.gz IIDVSEFYTGQCBS-GOEBONIOSA-N 1 1 334.351 1.591 20 5 EDBDMO CC(C)(C[NH+]1CCCC1)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452085571 447813878 /nfs/dbraw/zinc/81/38/78/447813878.db2.gz KKEISPGBABJBDM-HNNXBMFYSA-N 1 1 337.420 1.799 20 5 EDBDMO CCC1CCC([N@@H+](CCO)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000488231144 447844050 /nfs/dbraw/zinc/84/40/50/447844050.db2.gz JSBVWKHVKARWHD-ZBCRRDGASA-N 1 1 340.424 1.415 20 5 EDBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000525291528 447987893 /nfs/dbraw/zinc/98/78/93/447987893.db2.gz IIWAYDMXHDBRHK-LLVKDONJSA-N 1 1 337.376 1.684 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000525292623 447988797 /nfs/dbraw/zinc/98/87/97/447988797.db2.gz GUVDCFSOSJDFNC-CYBMUJFWSA-N 1 1 343.387 1.852 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000525307864 447994908 /nfs/dbraw/zinc/99/49/08/447994908.db2.gz MOZVPEAJRLTZSZ-LLVKDONJSA-N 1 1 343.405 1.224 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000591028973 448238845 /nfs/dbraw/zinc/23/88/45/448238845.db2.gz MMHVWMFLPKQEHV-WFASDCNBSA-N 1 1 346.387 1.313 20 5 EDBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000572040696 448270535 /nfs/dbraw/zinc/27/05/35/448270535.db2.gz HEOPFONJWUSUBC-OAHLLOKOSA-N 1 1 344.371 1.729 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2COc3cc(F)cc(F)c32)c1 ZINC000591760788 448485207 /nfs/dbraw/zinc/48/52/07/448485207.db2.gz XZZIPZHRAHCLQA-JQWIXIFHSA-N 1 1 340.286 1.154 20 5 EDBDMO CC(C)Oc1nc(N[C@@H](C)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000578522677 448569564 /nfs/dbraw/zinc/56/95/64/448569564.db2.gz SSCFPVTZHFBJKB-ZDUSSCGKSA-N 1 1 337.424 1.825 20 5 EDBDMO COC(=O)c1cc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000518317404 448663808 /nfs/dbraw/zinc/66/38/08/448663808.db2.gz PCOOTGKTJNKWFP-IINYFYTJSA-N 1 1 333.344 1.158 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000588005142 448855291 /nfs/dbraw/zinc/85/52/91/448855291.db2.gz WEKYTVOBLKLNAN-CQSZACIVSA-N 1 1 336.367 1.652 20 5 EDBDMO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592569014 448905835 /nfs/dbraw/zinc/90/58/35/448905835.db2.gz VGJHARTWCOAJMT-JTQLQIEISA-N 1 1 329.360 1.876 20 5 EDBDMO Nc1nccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000547729090 448919635 /nfs/dbraw/zinc/91/96/35/448919635.db2.gz BINUVYNIIZMZAW-ZDUSSCGKSA-N 1 1 341.371 1.576 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548059351 448978277 /nfs/dbraw/zinc/97/82/77/448978277.db2.gz NZVJWRJYNJCTPX-GFCCVEGCSA-N 1 1 335.408 1.956 20 5 EDBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588860046 448941932 /nfs/dbraw/zinc/94/19/32/448941932.db2.gz BPDZMFIGDIABHJ-OLZOCXBDSA-N 1 1 344.371 1.357 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1 ZINC000589512742 449028158 /nfs/dbraw/zinc/02/81/58/449028158.db2.gz ABIIFYJSJWWRES-AWEZNQCLSA-N 1 1 347.371 1.578 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c1 ZINC000589512742 449028162 /nfs/dbraw/zinc/02/81/62/449028162.db2.gz ABIIFYJSJWWRES-AWEZNQCLSA-N 1 1 347.371 1.578 20 5 EDBDMO COCCOCC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589210603 448989350 /nfs/dbraw/zinc/98/93/50/448989350.db2.gz HDOZPCCAMNHNHN-UHFFFAOYSA-N 1 1 326.349 1.461 20 5 EDBDMO COCCOCC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589210603 448989355 /nfs/dbraw/zinc/98/93/55/448989355.db2.gz HDOZPCCAMNHNHN-UHFFFAOYSA-N 1 1 326.349 1.461 20 5 EDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000595608812 449076634 /nfs/dbraw/zinc/07/66/34/449076634.db2.gz WWEORIHUYXNNJL-AWEZNQCLSA-N 1 1 331.376 1.977 20 5 EDBDMO CNc1nccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000521988578 449037005 /nfs/dbraw/zinc/03/70/05/449037005.db2.gz LKHBASSUYHVVNG-RYUDHWBXSA-N 1 1 335.408 1.882 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000593011345 449101766 /nfs/dbraw/zinc/10/17/66/449101766.db2.gz PGBRXAYWJVORPR-CMPLNLGQSA-N 1 1 335.360 1.467 20 5 EDBDMO COC(=O)C12CC(C1)C[N@@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595684008 449117809 /nfs/dbraw/zinc/11/78/09/449117809.db2.gz XKJMQBGCYDYRFD-UHFFFAOYSA-N 1 1 333.344 1.561 20 5 EDBDMO COC(=O)C12CC(C1)C[N@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595684008 449117815 /nfs/dbraw/zinc/11/78/15/449117815.db2.gz XKJMQBGCYDYRFD-UHFFFAOYSA-N 1 1 333.344 1.561 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(=O)N(C)CC1 ZINC000595773584 449158399 /nfs/dbraw/zinc/15/83/99/449158399.db2.gz QKIAIDCWYXJLBA-UHFFFAOYSA-N 1 1 334.376 1.396 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C ZINC000611088493 449164536 /nfs/dbraw/zinc/16/45/36/449164536.db2.gz ZLAQAXLQBKKVNV-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C ZINC000611088493 449164541 /nfs/dbraw/zinc/16/45/41/449164541.db2.gz ZLAQAXLQBKKVNV-CYBMUJFWSA-N 1 1 343.387 1.947 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[N@H+](C)CC(C)C ZINC000593203886 449169032 /nfs/dbraw/zinc/16/90/32/449169032.db2.gz JZUBDAIGAYTJKG-UHFFFAOYSA-N 1 1 325.413 1.584 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597925740 449144983 /nfs/dbraw/zinc/14/49/83/449144983.db2.gz QOEFELKHWSYAGC-ZDUSSCGKSA-N 1 1 348.403 1.314 20 5 EDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600007494 449146771 /nfs/dbraw/zinc/14/67/71/449146771.db2.gz UWLJYGHLJMQLQG-UHFFFAOYSA-N 1 1 339.417 1.983 20 5 EDBDMO Cc1c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000590402484 449149837 /nfs/dbraw/zinc/14/98/37/449149837.db2.gz UVVAYQJCOPDOKL-JKSUJKDBSA-N 1 1 333.388 1.838 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000595805612 449178598 /nfs/dbraw/zinc/17/85/98/449178598.db2.gz ISHVVNZUSDJEOO-CQSZACIVSA-N 1 1 335.408 1.790 20 5 EDBDMO Cc1nccc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000611185716 449208568 /nfs/dbraw/zinc/20/85/68/449208568.db2.gz RFFGWCBEQFZUSG-CQSZACIVSA-N 1 1 343.387 1.735 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000590561736 449191747 /nfs/dbraw/zinc/19/17/47/449191747.db2.gz FVFPAMVYPAUXLJ-LSDHHAIUSA-N 1 1 334.376 1.233 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595828990 449191728 /nfs/dbraw/zinc/19/17/28/449191728.db2.gz FXCCFZIOABOODY-STQMWFEESA-N 1 1 349.387 1.900 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](Cc2ccccc2)C1 ZINC000593847937 449235431 /nfs/dbraw/zinc/23/54/31/449235431.db2.gz HTUPLIWLHROWMO-CQSZACIVSA-N 1 1 328.372 1.922 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](Cc2ccccc2)C1 ZINC000593847937 449235435 /nfs/dbraw/zinc/23/54/35/449235435.db2.gz HTUPLIWLHROWMO-CQSZACIVSA-N 1 1 328.372 1.922 20 5 EDBDMO CSc1cccc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593856843 449239927 /nfs/dbraw/zinc/23/99/27/449239927.db2.gz QMQZLXHXTYNDTO-LLVKDONJSA-N 1 1 337.401 1.208 20 5 EDBDMO CSc1cccc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593856843 449239930 /nfs/dbraw/zinc/23/99/30/449239930.db2.gz QMQZLXHXTYNDTO-LLVKDONJSA-N 1 1 337.401 1.208 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000590776541 449290643 /nfs/dbraw/zinc/29/06/43/449290643.db2.gz WMBREYCJLHUGTQ-WBMJQRKESA-N 1 1 341.371 1.557 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000598221444 449296784 /nfs/dbraw/zinc/29/67/84/449296784.db2.gz UYUPUAMMOCUSNV-LBPRGKRZSA-N 1 1 335.408 1.948 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000598221443 449297725 /nfs/dbraw/zinc/29/77/25/449297725.db2.gz UYUPUAMMOCUSNV-GFCCVEGCSA-N 1 1 335.408 1.948 20 5 EDBDMO C[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000611374388 449274730 /nfs/dbraw/zinc/27/47/30/449274730.db2.gz HUTLFTZSPHOKEI-SLEUVZQESA-N 1 1 336.392 1.674 20 5 EDBDMO C[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000611374388 449274733 /nfs/dbraw/zinc/27/47/33/449274733.db2.gz HUTLFTZSPHOKEI-SLEUVZQESA-N 1 1 336.392 1.674 20 5 EDBDMO C[C@@H](O)C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000594064131 449345385 /nfs/dbraw/zinc/34/53/85/449345385.db2.gz KVNBFUCYPCEFDV-LLVKDONJSA-N 1 1 335.360 1.738 20 5 EDBDMO CC(C)(CO)[NH+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593557697 449347651 /nfs/dbraw/zinc/34/76/51/449347651.db2.gz QXJDGTJQVPDTQE-UHFFFAOYSA-N 1 1 339.367 1.192 20 5 EDBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000602117068 449358080 /nfs/dbraw/zinc/35/80/80/449358080.db2.gz OBTWXCRWTVJNGY-JGGQBBKZSA-N 1 1 333.388 1.944 20 5 EDBDMO Cn1c(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)ccc1[N+](=O)[O-] ZINC000598366819 449364106 /nfs/dbraw/zinc/36/41/06/449364106.db2.gz DGQPMKUFUSJFPO-ZIAGYGMSSA-N 1 1 348.403 1.307 20 5 EDBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596125090 449375105 /nfs/dbraw/zinc/37/51/05/449375105.db2.gz ZKPCQUAGICEOIG-ZDUSSCGKSA-N 1 1 335.408 1.302 20 5 EDBDMO C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000596224283 449424199 /nfs/dbraw/zinc/42/41/99/449424199.db2.gz ZBAYVLBWLVBAFY-SNVBAGLBSA-N 1 1 328.800 1.925 20 5 EDBDMO C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000596224283 449424201 /nfs/dbraw/zinc/42/42/01/449424201.db2.gz ZBAYVLBWLVBAFY-SNVBAGLBSA-N 1 1 328.800 1.925 20 5 EDBDMO CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000600618386 449462619 /nfs/dbraw/zinc/46/26/19/449462619.db2.gz CHIGVWZQEIHFKU-HRCADAONSA-N 1 1 333.388 1.966 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000596307843 449467629 /nfs/dbraw/zinc/46/76/29/449467629.db2.gz PJXNTUVSSZKLTK-NSHDSACASA-N 1 1 342.421 1.527 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000598643989 449514807 /nfs/dbraw/zinc/51/48/07/449514807.db2.gz VCOFUDDLOXDEQD-AWEZNQCLSA-N 1 1 336.373 1.051 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594787713 449695936 /nfs/dbraw/zinc/69/59/36/449695936.db2.gz CUUPJRZJUFUWRA-LBPRGKRZSA-N 1 1 341.433 1.994 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601126403 449705390 /nfs/dbraw/zinc/70/53/90/449705390.db2.gz XWMNEBDHZOCKOE-HNNXBMFYSA-N 1 1 347.415 1.853 20 5 EDBDMO Cn1cnnc1[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601150103 449718929 /nfs/dbraw/zinc/71/89/29/449718929.db2.gz WCPIISPZGHOKBT-OAHLLOKOSA-N 1 1 340.343 1.849 20 5 EDBDMO COc1cccc(N2CC[NH+](CCc3cnccn3)CC2)c1[N+](=O)[O-] ZINC000601253310 449776939 /nfs/dbraw/zinc/77/69/39/449776939.db2.gz LIOIGQWNANBJCH-UHFFFAOYSA-N 1 1 343.387 1.758 20 5 EDBDMO C[C@H]1OCC[C@@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000602763635 449789518 /nfs/dbraw/zinc/78/95/18/449789518.db2.gz REBGFWANXXURTA-VXGBXAGGSA-N 1 1 339.417 1.839 20 5 EDBDMO COc1cc(N2CC[NH+](CCc3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC000601253095 449775199 /nfs/dbraw/zinc/77/51/99/449775199.db2.gz DSDOWXYQPJNMHN-UHFFFAOYSA-N 1 1 343.387 1.758 20 5 EDBDMO COCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000617722354 449776111 /nfs/dbraw/zinc/77/61/11/449776111.db2.gz NIRFNYFZSRTJMH-ZFWWWQNUSA-N 1 1 335.404 1.925 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000602836019 449845705 /nfs/dbraw/zinc/84/57/05/449845705.db2.gz CJMWVWBEKQQUEE-CYBMUJFWSA-N 1 1 337.424 1.285 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000602836019 449845708 /nfs/dbraw/zinc/84/57/08/449845708.db2.gz CJMWVWBEKQQUEE-CYBMUJFWSA-N 1 1 337.424 1.285 20 5 EDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601343184 449852293 /nfs/dbraw/zinc/85/22/93/449852293.db2.gz LGKIBLVNEOQKME-SNVBAGLBSA-N 1 1 333.435 1.727 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608960015 449953315 /nfs/dbraw/zinc/95/33/15/449953315.db2.gz UCSPKSYJOCILNL-VXGBXAGGSA-N 1 1 347.371 1.723 20 5 EDBDMO CCOc1cc(C[N@@H+]2CC[C@@](OC)(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000599565474 450066379 /nfs/dbraw/zinc/06/63/79/450066379.db2.gz SHKDAWYYOIMQLH-INIZCTEOSA-N 1 1 338.360 1.757 20 5 EDBDMO CCOc1cc(C[N@H+]2CC[C@@](OC)(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000599565474 450066382 /nfs/dbraw/zinc/06/63/82/450066382.db2.gz SHKDAWYYOIMQLH-INIZCTEOSA-N 1 1 338.360 1.757 20 5 EDBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000609631695 450077156 /nfs/dbraw/zinc/07/71/56/450077156.db2.gz OLJMVFSHXLQVPO-GFCCVEGCSA-N 1 1 337.376 1.900 20 5 EDBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCOC1 ZINC000609631591 450077343 /nfs/dbraw/zinc/07/73/43/450077343.db2.gz CZYIQLAPHMBGEZ-ZDUSSCGKSA-N 1 1 333.388 1.842 20 5 EDBDMO CC[N@H+]1[C@H](C)CN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000603144099 450090563 /nfs/dbraw/zinc/09/05/63/450090563.db2.gz SPFMGXGCPPFQBH-TXEJJXNPSA-N 1 1 349.387 1.936 20 5 EDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000603144099 450090570 /nfs/dbraw/zinc/09/05/70/450090570.db2.gz SPFMGXGCPPFQBH-TXEJJXNPSA-N 1 1 349.387 1.936 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000601609417 450108766 /nfs/dbraw/zinc/10/87/66/450108766.db2.gz XCOZQPZXWVSLES-UONOGXRCSA-N 1 1 337.351 1.669 20 5 EDBDMO C[C@H]1C[N@H+](C)CCN1c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000615494279 450115089 /nfs/dbraw/zinc/11/50/89/450115089.db2.gz MZIFJXKAARPLEF-ZDUSSCGKSA-N 1 1 348.403 1.208 20 5 EDBDMO C[C@H]1C[N@@H+](C)CCN1c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000615494279 450115091 /nfs/dbraw/zinc/11/50/91/450115091.db2.gz MZIFJXKAARPLEF-ZDUSSCGKSA-N 1 1 348.403 1.208 20 5 EDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597574705 450119019 /nfs/dbraw/zinc/11/90/19/450119019.db2.gz GQWKNACAQOTNAP-QWHCGFSZSA-N 1 1 337.351 1.618 20 5 EDBDMO O=C(CC[N@@H+]1CCO[C@H](CCF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000599643324 450123276 /nfs/dbraw/zinc/12/32/76/450123276.db2.gz SAWDLJJNLDLHRZ-GFCCVEGCSA-N 1 1 325.340 1.984 20 5 EDBDMO O=C(CC[N@H+]1CCO[C@H](CCF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000599643324 450123280 /nfs/dbraw/zinc/12/32/80/450123280.db2.gz SAWDLJJNLDLHRZ-GFCCVEGCSA-N 1 1 325.340 1.984 20 5 EDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000610237990 450158109 /nfs/dbraw/zinc/15/81/09/450158109.db2.gz QHJOPZOJPCJNOI-INIZCTEOSA-N 1 1 333.388 1.461 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000610771364 450330820 /nfs/dbraw/zinc/33/08/20/450330820.db2.gz NFEIRFSMMLKLSA-CQSZACIVSA-N 1 1 334.376 1.317 20 5 EDBDMO C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000610907208 450377798 /nfs/dbraw/zinc/37/77/98/450377798.db2.gz DQKQTYNFKAWKPL-QMTHXVAHSA-N 1 1 332.360 1.525 20 5 EDBDMO C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000610907208 450377802 /nfs/dbraw/zinc/37/78/02/450377802.db2.gz DQKQTYNFKAWKPL-QMTHXVAHSA-N 1 1 332.360 1.525 20 5 EDBDMO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000616740180 450471871 /nfs/dbraw/zinc/47/18/71/450471871.db2.gz VCKSKGMNTWBIDG-CYBMUJFWSA-N 1 1 347.371 1.563 20 5 EDBDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000616740180 450471873 /nfs/dbraw/zinc/47/18/73/450471873.db2.gz VCKSKGMNTWBIDG-CYBMUJFWSA-N 1 1 347.371 1.563 20 5 EDBDMO COCCC[N@H+](CCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000615141386 486175534 /nfs/dbraw/zinc/17/55/34/486175534.db2.gz UERKIPARUCXZCY-UHFFFAOYSA-N 1 1 326.349 1.197 20 5 EDBDMO COCCC[N@@H+](CCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000615141386 486175543 /nfs/dbraw/zinc/17/55/43/486175543.db2.gz UERKIPARUCXZCY-UHFFFAOYSA-N 1 1 326.349 1.197 20 5 EDBDMO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184200030 533828589 /nfs/dbraw/zinc/82/85/89/533828589.db2.gz VTHMZGWCPKIFSC-ZJUUUORDSA-N 1 1 325.340 1.828 20 5 EDBDMO COc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184200030 533828602 /nfs/dbraw/zinc/82/86/02/533828602.db2.gz VTHMZGWCPKIFSC-ZJUUUORDSA-N 1 1 325.340 1.828 20 5 EDBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000188006945 534203431 /nfs/dbraw/zinc/20/34/31/534203431.db2.gz KCNHMFKPMUKKGZ-JKIFEVAISA-N 1 1 338.404 1.817 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000184403302 534318531 /nfs/dbraw/zinc/31/85/31/534318531.db2.gz IDWKZBMPKUOVFR-AWEZNQCLSA-N 1 1 334.420 1.659 20 5 EDBDMO CNc1c(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000566448304 517981318 /nfs/dbraw/zinc/98/13/18/517981318.db2.gz YEZGMZJQUZMFBN-UHFFFAOYSA-N 1 1 330.348 1.322 20 5 EDBDMO CC[N@H+]1CC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000347071798 535770131 /nfs/dbraw/zinc/77/01/31/535770131.db2.gz AHBRNUXUCOEMIO-ZDUSSCGKSA-N 1 1 327.406 1.151 20 5 EDBDMO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000270832914 536132516 /nfs/dbraw/zinc/13/25/16/536132516.db2.gz CWWXRYBYDDGRTH-ZANVPECISA-N 1 1 327.768 1.889 20 5 EDBDMO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000270832914 536132517 /nfs/dbraw/zinc/13/25/17/536132517.db2.gz CWWXRYBYDDGRTH-ZANVPECISA-N 1 1 327.768 1.889 20 5 EDBDMO CN1C(=O)N[C@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000345675305 536326484 /nfs/dbraw/zinc/32/64/84/536326484.db2.gz MFRVYGNHIWVNGS-STQMWFEESA-N 1 1 347.375 1.021 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247965414 536377731 /nfs/dbraw/zinc/37/77/31/536377731.db2.gz GSOJQZKLSSXMNH-ZIAGYGMSSA-N 1 1 333.388 1.916 20 5 EDBDMO CC(C)[N@H+]1CCCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000727823962 578539072 /nfs/dbraw/zinc/53/90/72/578539072.db2.gz OSNBZFDBVHBOPY-UHFFFAOYSA-N 1 1 346.387 1.564 20 5 EDBDMO C[C@@H](O)C[N@@H+](C)C1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000729920082 578599369 /nfs/dbraw/zinc/59/93/69/578599369.db2.gz UKZIIUOMJKSASC-GFCCVEGCSA-N 1 1 333.392 1.524 20 5 EDBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H]3Cn3cncn3)c2c1 ZINC000732801603 578730397 /nfs/dbraw/zinc/73/03/97/578730397.db2.gz IPEPAXAVAZTZTE-CQSZACIVSA-N 1 1 327.348 1.658 20 5 EDBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@@H]3Cn3cncn3)c2c1 ZINC000732801603 578730398 /nfs/dbraw/zinc/73/03/98/578730398.db2.gz IPEPAXAVAZTZTE-CQSZACIVSA-N 1 1 327.348 1.658 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000737004910 579039706 /nfs/dbraw/zinc/03/97/06/579039706.db2.gz PRSLWDKQIJQJKX-GFCCVEGCSA-N 1 1 347.379 1.298 20 5 EDBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCCC[NH+]1CCOCC1 ZINC000750883473 579785752 /nfs/dbraw/zinc/78/57/52/579785752.db2.gz HAQSIPBYEFQETN-UHFFFAOYSA-N 1 1 347.371 1.815 20 5 EDBDMO COC(=O)/C=C\c1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000754081727 579895821 /nfs/dbraw/zinc/89/58/21/579895821.db2.gz JCVBLQCXSSFVJG-MFBWXBCUSA-N 1 1 347.371 1.302 20 5 EDBDMO COC(=O)/C=C\c1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000754081727 579895822 /nfs/dbraw/zinc/89/58/22/579895822.db2.gz JCVBLQCXSSFVJG-MFBWXBCUSA-N 1 1 347.371 1.302 20 5 EDBDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756988930 579961608 /nfs/dbraw/zinc/96/16/08/579961608.db2.gz MBXYBKFHAIYZHE-ZDUSSCGKSA-N 1 1 327.768 1.585 20 5 EDBDMO CC[N@H+]1CCO[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756988930 579961609 /nfs/dbraw/zinc/96/16/09/579961609.db2.gz MBXYBKFHAIYZHE-ZDUSSCGKSA-N 1 1 327.768 1.585 20 5 EDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000771509326 580288168 /nfs/dbraw/zinc/28/81/68/580288168.db2.gz MCQOFUFRYOMOGW-SECBINFHSA-N 1 1 335.389 1.671 20 5 EDBDMO C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000781963520 580561725 /nfs/dbraw/zinc/56/17/25/580561725.db2.gz CURKITWITLWOKS-XHDPSFHLSA-N 1 1 332.360 1.298 20 5 EDBDMO C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000781995984 580562936 /nfs/dbraw/zinc/56/29/36/580562936.db2.gz SMWRGWAHGNMUAK-LRDDRELGSA-N 1 1 346.387 1.546 20 5 EDBDMO COCC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)[C@H]1CCOC1 ZINC000782957619 580589081 /nfs/dbraw/zinc/58/90/81/580589081.db2.gz XTCUGPQVGUCFGN-LBPRGKRZSA-N 1 1 335.364 1.343 20 5 EDBDMO COCC[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)[C@H]1CCOC1 ZINC000782957619 580589082 /nfs/dbraw/zinc/58/90/82/580589082.db2.gz XTCUGPQVGUCFGN-LBPRGKRZSA-N 1 1 335.364 1.343 20 5 EDBDMO COC(=O)[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)[C@@H]1C ZINC000787244192 580690544 /nfs/dbraw/zinc/69/05/44/580690544.db2.gz MXBKPCWYGNZYEX-PWSUYJOCSA-N 1 1 333.348 1.489 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)[C@@H]1C ZINC000787244192 580690545 /nfs/dbraw/zinc/69/05/45/580690545.db2.gz MXBKPCWYGNZYEX-PWSUYJOCSA-N 1 1 333.348 1.489 20 5 EDBDMO O=C1C[C@]2(CC[N@H+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C2)CN1 ZINC000788382850 580720245 /nfs/dbraw/zinc/72/02/45/580720245.db2.gz HJMLEHAPWIXVOM-QGZVFWFLSA-N 1 1 341.371 1.628 20 5 EDBDMO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896523060 591492593 /nfs/dbraw/zinc/49/25/93/591492593.db2.gz MHWULCRHKXAAJX-NSHDSACASA-N 1 1 326.784 1.730 20 5 EDBDMO C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896561404 591514241 /nfs/dbraw/zinc/51/42/41/591514241.db2.gz AHGNCZWJDXXGJH-HZMBPMFUSA-N 1 1 340.811 1.612 20 5 EDBDMO COc1cc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])cc1F ZINC000897221784 591776467 /nfs/dbraw/zinc/77/64/67/591776467.db2.gz OTSZFBHUCAJYLP-OLZOCXBDSA-N 1 1 339.367 1.778 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000897222534 591776743 /nfs/dbraw/zinc/77/67/43/591776743.db2.gz VOKKBXRMNWUTDL-KGLIPLIRSA-N 1 1 349.387 1.417 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCC[N@H+]4CCSC[C@H]34)nn21 ZINC000895566307 591807420 /nfs/dbraw/zinc/80/74/20/591807420.db2.gz JAWQEAKTYNVZCZ-GHMZBOCLSA-N 1 1 334.405 1.629 20 5 EDBDMO O=C(NCCC[NH+]1CCOCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000899921436 591986711 /nfs/dbraw/zinc/98/67/11/591986711.db2.gz WHZYSGCVZBZAMC-UHFFFAOYSA-N 1 1 345.758 1.839 20 5 EDBDMO COc1cc([C@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903091436 592119014 /nfs/dbraw/zinc/11/90/14/592119014.db2.gz UEQCNURASUNAMT-KGLIPLIRSA-N 1 1 336.436 1.890 20 5 EDBDMO O=[N+]([O-])c1cccc(Br)c1CN1CCNCC[NH2+]CC1 ZINC000903787191 592322931 /nfs/dbraw/zinc/32/29/31/592322931.db2.gz VJDVRUMPZXFZSU-UHFFFAOYSA-N 1 1 343.225 1.352 20 5 EDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906872421 592375600 /nfs/dbraw/zinc/37/56/00/592375600.db2.gz HAALTXSAOZCSRG-LBPRGKRZSA-N 1 1 349.387 1.828 20 5 EDBDMO Cc1nn(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000905676722 592608958 /nfs/dbraw/zinc/60/89/58/592608958.db2.gz CWSONHRZAMDBIK-WBVHZDCISA-N 1 1 328.372 1.957 20 5 EDBDMO Cc1nn(C[N@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000905676722 592608959 /nfs/dbraw/zinc/60/89/59/592608959.db2.gz CWSONHRZAMDBIK-WBVHZDCISA-N 1 1 328.372 1.957 20 5 EDBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905926993 592685260 /nfs/dbraw/zinc/68/52/60/592685260.db2.gz XUOWETHHMROVGY-IRXDYDNUSA-N 1 1 338.404 1.708 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907547218 592702542 /nfs/dbraw/zinc/70/25/42/592702542.db2.gz CXDBYRNUTKULTB-YGRLFVJLSA-N 1 1 343.380 1.306 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000910285806 592821628 /nfs/dbraw/zinc/82/16/28/592821628.db2.gz DHGXEMRJVWMATN-CYBMUJFWSA-N 1 1 345.403 1.887 20 5 EDBDMO C[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000804634833 593428939 /nfs/dbraw/zinc/42/89/39/593428939.db2.gz SBYRIUUWOVLQRN-NSHDSACASA-N 1 1 338.364 1.784 20 5 EDBDMO C[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000804634833 593428940 /nfs/dbraw/zinc/42/89/40/593428940.db2.gz SBYRIUUWOVLQRN-NSHDSACASA-N 1 1 338.364 1.784 20 5 EDBDMO Cn1nccc1CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172073 593521490 /nfs/dbraw/zinc/52/14/90/593521490.db2.gz FTJANYMMGUOYRI-INIZCTEOSA-N 1 1 344.371 1.689 20 5 EDBDMO Cn1nccc1CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172073 593521491 /nfs/dbraw/zinc/52/14/91/593521491.db2.gz FTJANYMMGUOYRI-INIZCTEOSA-N 1 1 344.371 1.689 20 5 EDBDMO CCn1nc(C)c(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000819378947 593752570 /nfs/dbraw/zinc/75/25/70/593752570.db2.gz AQWWRVAPKKZUMZ-UHFFFAOYSA-N 1 1 332.364 1.633 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000820070537 593788333 /nfs/dbraw/zinc/78/83/33/593788333.db2.gz FZUKTDWDGIESTM-QLPKVWCKSA-N 1 1 340.383 1.794 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820753061 593881915 /nfs/dbraw/zinc/88/19/15/593881915.db2.gz VXGNJKYPQJRFOD-GXFFZTMASA-N 1 1 331.380 1.551 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC[C@@H]21 ZINC000821625821 593887372 /nfs/dbraw/zinc/88/73/72/593887372.db2.gz WIZOXIONODADRH-PWSUYJOCSA-N 1 1 344.379 1.090 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC000821164938 593980569 /nfs/dbraw/zinc/98/05/69/593980569.db2.gz MKFGMAUEWKCAED-LLVKDONJSA-N 1 1 331.380 1.553 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000822160498 594002273 /nfs/dbraw/zinc/00/22/73/594002273.db2.gz SSWMJBABAXIZLP-WQVCFCJDSA-N 1 1 333.388 1.223 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000822160498 594002276 /nfs/dbraw/zinc/00/22/76/594002276.db2.gz SSWMJBABAXIZLP-WQVCFCJDSA-N 1 1 333.388 1.223 20 5 EDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825394208 594178005 /nfs/dbraw/zinc/17/80/05/594178005.db2.gz VGPUGSHMNBFXGK-IOASZLSFSA-N 1 1 335.404 1.865 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1C ZINC000825822087 594255169 /nfs/dbraw/zinc/25/51/69/594255169.db2.gz CTYBCBVSFHDRRV-UHFFFAOYSA-N 1 1 337.767 1.978 20 5 EDBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827790376 594278728 /nfs/dbraw/zinc/27/87/28/594278728.db2.gz WPUQUBZVHKOJOM-IAGOWNOFSA-N 1 1 341.367 1.931 20 5 EDBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827790376 594278730 /nfs/dbraw/zinc/27/87/30/594278730.db2.gz WPUQUBZVHKOJOM-IAGOWNOFSA-N 1 1 341.367 1.931 20 5 EDBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827790375 594278765 /nfs/dbraw/zinc/27/87/65/594278765.db2.gz WPUQUBZVHKOJOM-DLBZAZTESA-N 1 1 341.367 1.931 20 5 EDBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827790375 594278766 /nfs/dbraw/zinc/27/87/66/594278766.db2.gz WPUQUBZVHKOJOM-DLBZAZTESA-N 1 1 341.367 1.931 20 5 EDBDMO COc1cc(C(=O)NCC[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000828840547 594514434 /nfs/dbraw/zinc/51/44/34/594514434.db2.gz SAAHBMFJWJEJDD-SNVBAGLBSA-N 1 1 325.340 1.957 20 5 EDBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000826543233 594521516 /nfs/dbraw/zinc/52/15/16/594521516.db2.gz LNJPBZGUMHLGRW-SECBINFHSA-N 1 1 338.339 1.468 20 5 EDBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000826543233 594521517 /nfs/dbraw/zinc/52/15/17/594521517.db2.gz LNJPBZGUMHLGRW-SECBINFHSA-N 1 1 338.339 1.468 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827462170 594674532 /nfs/dbraw/zinc/67/45/32/594674532.db2.gz KNFMCYQHKLWTSI-UHFFFAOYSA-N 1 1 346.431 1.755 20 5 EDBDMO C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000833426867 594846463 /nfs/dbraw/zinc/84/64/63/594846463.db2.gz RNZFHSFXYDMLLW-SUMWQHHRSA-N 1 1 347.415 1.961 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000841455842 594902698 /nfs/dbraw/zinc/90/26/98/594902698.db2.gz WOLKVEZQNWPQKX-GHMZBOCLSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000841455842 594902702 /nfs/dbraw/zinc/90/27/02/594902702.db2.gz WOLKVEZQNWPQKX-GHMZBOCLSA-N 1 1 325.340 1.261 20 5 EDBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834600982 595172520 /nfs/dbraw/zinc/17/25/20/595172520.db2.gz XKWZAJSQPWIZON-GXTWGEPZSA-N 1 1 325.315 1.992 20 5 EDBDMO CCCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@@H+](C)C1 ZINC000843987363 595231970 /nfs/dbraw/zinc/23/19/70/595231970.db2.gz DQWLPSBKOARPNR-OAHLLOKOSA-N 1 1 345.403 1.887 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C(C)(C)C(=O)N2CCCC2)c1 ZINC000844324473 595324683 /nfs/dbraw/zinc/32/46/83/595324683.db2.gz IKHJXMDIWOJGAO-UHFFFAOYSA-N 1 1 349.387 1.872 20 5 EDBDMO C[N@@H+]1CC=C(CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848585519 595409735 /nfs/dbraw/zinc/40/97/35/595409735.db2.gz AENPRUSOUUGOKZ-UHFFFAOYSA-N 1 1 341.314 1.945 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000861034278 595871833 /nfs/dbraw/zinc/87/18/33/595871833.db2.gz NNZNVUWSJRRWJJ-LBPRGKRZSA-N 1 1 340.380 1.180 20 5 EDBDMO Cc1noc(COC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c1[N+](=O)[O-] ZINC000853901696 595917242 /nfs/dbraw/zinc/91/72/42/595917242.db2.gz HZPVCYSVZUDVNY-ZDUSSCGKSA-N 1 1 341.364 1.728 20 5 EDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000853965639 595935921 /nfs/dbraw/zinc/93/59/21/595935921.db2.gz JEKZWLGPSQODNV-GFCCVEGCSA-N 1 1 336.348 1.538 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000862009508 596179513 /nfs/dbraw/zinc/17/95/13/596179513.db2.gz VGIKZBSBGSFPHG-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C[N@H+]1CCO ZINC000862009508 596179515 /nfs/dbraw/zinc/17/95/15/596179515.db2.gz VGIKZBSBGSFPHG-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852697543 596229024 /nfs/dbraw/zinc/22/90/24/596229024.db2.gz VSNBJQBZMHWBCE-HOCLYGCPSA-N 1 1 335.404 1.865 20 5 EDBDMO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCCF)CC1 ZINC000862114194 596241891 /nfs/dbraw/zinc/24/18/91/596241891.db2.gz COKAIXJLDHVQBD-AWEZNQCLSA-N 1 1 325.340 1.132 20 5 EDBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863031522 596490851 /nfs/dbraw/zinc/49/08/51/596490851.db2.gz HRHMMQDSEOKBRW-HOTGVXAUSA-N 1 1 333.388 1.761 20 5 EDBDMO C[N@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)CC1(C)COC1 ZINC000863296510 596541711 /nfs/dbraw/zinc/54/17/11/596541711.db2.gz NDKXYTSCVHDFAO-OAHLLOKOSA-N 1 1 333.388 1.837 20 5 EDBDMO C[N@@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)CC1(C)COC1 ZINC000863296510 596541713 /nfs/dbraw/zinc/54/17/13/596541713.db2.gz NDKXYTSCVHDFAO-OAHLLOKOSA-N 1 1 333.388 1.837 20 5 EDBDMO C[N@@H+](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000119722462 596725283 /nfs/dbraw/zinc/72/52/83/596725283.db2.gz AXLKBZJMSZPQQR-UHFFFAOYSA-N 1 1 333.435 1.809 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000868317480 596785685 /nfs/dbraw/zinc/78/56/85/596785685.db2.gz KFEATYQDRNQREJ-LSDHHAIUSA-N 1 1 332.404 1.873 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000872664676 597020405 /nfs/dbraw/zinc/02/04/05/597020405.db2.gz NVSZEAOGAJGWPS-GJZGRUSLSA-N 1 1 339.417 1.593 20 5 EDBDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872666679 597021871 /nfs/dbraw/zinc/02/18/71/597021871.db2.gz YJGIYTCAKSPRRW-RYUDHWBXSA-N 1 1 343.380 1.591 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872666679 597021873 /nfs/dbraw/zinc/02/18/73/597021873.db2.gz YJGIYTCAKSPRRW-RYUDHWBXSA-N 1 1 343.380 1.591 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000874849101 597200995 /nfs/dbraw/zinc/20/09/95/597200995.db2.gz WKJDOWKKMAWVLB-VXGBXAGGSA-N 1 1 333.344 1.632 20 5 EDBDMO C[C@]12C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877815921 597559830 /nfs/dbraw/zinc/55/98/30/597559830.db2.gz XDSVGXVYGZVWPI-IYBDPMFKSA-N 1 1 338.429 1.894 20 5 EDBDMO C[C@]12C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877815921 597559831 /nfs/dbraw/zinc/55/98/31/597559831.db2.gz XDSVGXVYGZVWPI-IYBDPMFKSA-N 1 1 338.429 1.894 20 5 EDBDMO COc1cc(C[NH+]2CCC([C@H](F)C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000879041356 597796668 /nfs/dbraw/zinc/79/66/68/597796668.db2.gz FALVUVDNVSMOCD-AWEZNQCLSA-N 1 1 325.340 1.639 20 5 EDBDMO Cc1csc([C@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000880011120 597807728 /nfs/dbraw/zinc/80/77/28/597807728.db2.gz LWFLGLFYRMDGAZ-WCQYABFASA-N 1 1 337.405 1.407 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880135480 597851984 /nfs/dbraw/zinc/85/19/84/597851984.db2.gz WCBVAQRCKXYIJN-HUUCEWRRSA-N 1 1 348.403 1.710 20 5 EDBDMO COC(=O)C(C)(C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)C ZINC000880383238 597919087 /nfs/dbraw/zinc/91/90/87/597919087.db2.gz XBRSVDZTQILWBN-UHFFFAOYSA-N 1 1 326.397 1.949 20 5 EDBDMO C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000918477014 697172187 /nfs/dbraw/zinc/17/21/87/697172187.db2.gz CDBVYHLVKFVPTH-JTQLQIEISA-N 1 1 340.767 1.397 20 5 EDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccncc1F ZINC001031586604 697282033 /nfs/dbraw/zinc/28/20/33/697282033.db2.gz FXSUUSVUQLLVPO-UHFFFAOYSA-N 1 1 344.346 1.991 20 5 EDBDMO Cc1ccc(CC[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000996429945 702784097 /nfs/dbraw/zinc/78/40/97/702784097.db2.gz XFZHQRFZQYUQMW-IAGOWNOFSA-N 1 1 331.416 1.783 20 5 EDBDMO Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002787409 709393530 /nfs/dbraw/zinc/39/35/30/709393530.db2.gz JQDLZQUKFXRTFG-HZPDHXFCSA-N 1 1 335.379 1.880 20 5 EDBDMO C[N@@H+](CCOc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174695202 529927799 /nfs/dbraw/zinc/92/77/99/529927799.db2.gz LIVPUTGJBCNWIY-ZDUSSCGKSA-N 1 1 338.339 1.302 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1F ZINC000412370206 304002287 /nfs/dbraw/zinc/00/22/87/304002287.db2.gz XNCFVLVRSVJJLY-PHIMTYICSA-N 1 1 339.367 1.836 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2nncc2C1 ZINC000563366612 306330323 /nfs/dbraw/zinc/33/03/23/306330323.db2.gz JFSKHJHAPVRDLP-UHFFFAOYSA-N 1 1 346.347 1.039 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCn2nncc2C1 ZINC000563366612 306330324 /nfs/dbraw/zinc/33/03/24/306330324.db2.gz JFSKHJHAPVRDLP-UHFFFAOYSA-N 1 1 346.347 1.039 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000081290569 138265924 /nfs/dbraw/zinc/26/59/24/138265924.db2.gz HXCJEDYIXKSRGG-CQSZACIVSA-N 1 1 335.408 1.480 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000186945588 236073953 /nfs/dbraw/zinc/07/39/53/236073953.db2.gz FFCHTCSTRCWTFH-NSHDSACASA-N 1 1 336.392 1.094 20 5 EDBDMO C[NH+](C)CCN1CCC(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000074138225 203281845 /nfs/dbraw/zinc/28/18/45/203281845.db2.gz UPAZWZAIPVMPES-UHFFFAOYSA-N 1 1 334.420 1.598 20 5 EDBDMO CC[N@@H+](C)CCNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000119776297 204302608 /nfs/dbraw/zinc/30/26/08/204302608.db2.gz IQWSZZSDQLUWAB-UHFFFAOYSA-N 1 1 337.424 1.956 20 5 EDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000110997035 204331304 /nfs/dbraw/zinc/33/13/04/204331304.db2.gz QGDZXEWPUBNAKJ-AWEZNQCLSA-N 1 1 349.387 1.777 20 5 EDBDMO CNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000111266256 220126710 /nfs/dbraw/zinc/12/67/10/220126710.db2.gz FFGDOBKHDROMAI-GFCCVEGCSA-N 1 1 334.376 1.381 20 5 EDBDMO COc1cc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000150721857 205577182 /nfs/dbraw/zinc/57/71/82/205577182.db2.gz RWUQMRDXFFXESF-GFCCVEGCSA-N 1 1 337.376 1.302 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159581359 206252336 /nfs/dbraw/zinc/25/23/36/206252336.db2.gz SVXJAESPYDRVGG-RISCZKNCSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159581359 206252339 /nfs/dbraw/zinc/25/23/39/206252339.db2.gz SVXJAESPYDRVGG-RISCZKNCSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000249713397 139197406 /nfs/dbraw/zinc/19/74/06/139197406.db2.gz ZUQJFAGJITVMTI-QWHCGFSZSA-N 1 1 341.433 1.994 20 5 EDBDMO CO[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@@H]1C ZINC000251940143 139203547 /nfs/dbraw/zinc/20/35/47/139203547.db2.gz UOUCHEQDZNHIOC-BLLLJJGKSA-N 1 1 333.388 1.841 20 5 EDBDMO CO[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@@H]1C ZINC000251940143 139203548 /nfs/dbraw/zinc/20/35/48/139203548.db2.gz UOUCHEQDZNHIOC-BLLLJJGKSA-N 1 1 333.388 1.841 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000174509797 207024612 /nfs/dbraw/zinc/02/46/12/207024612.db2.gz AHKXQBQAROYCIG-LLVKDONJSA-N 1 1 336.348 1.917 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)n1 ZINC000176245947 207207228 /nfs/dbraw/zinc/20/72/28/207207228.db2.gz NUZXSUVQMDCNGV-LBPRGKRZSA-N 1 1 331.380 1.209 20 5 EDBDMO CCCC[N@@H+](C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000112309025 220298167 /nfs/dbraw/zinc/29/81/67/220298167.db2.gz KSGGNNQCFBGJNY-UHFFFAOYSA-N 1 1 346.391 1.637 20 5 EDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000264287523 285165999 /nfs/dbraw/zinc/16/59/99/285165999.db2.gz ADFHPZLBIGVRRZ-MRXNPFEDSA-N 1 1 328.372 1.845 20 5 EDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H](C)C1 ZINC000488711331 255050150 /nfs/dbraw/zinc/05/01/50/255050150.db2.gz HHEDVRPPIWTPCZ-MISXGVKJSA-N 1 1 333.392 1.255 20 5 EDBDMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000264283815 139393483 /nfs/dbraw/zinc/39/34/83/139393483.db2.gz JFQHMCVGODFLTK-ZDUSSCGKSA-N 1 1 346.391 1.722 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000416287644 304302473 /nfs/dbraw/zinc/30/24/73/304302473.db2.gz CFYRDPVGJVCSDI-GHMZBOCLSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000416287644 304302475 /nfs/dbraw/zinc/30/24/75/304302475.db2.gz CFYRDPVGJVCSDI-GHMZBOCLSA-N 1 1 325.340 1.261 20 5 EDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCC[C@H]1O ZINC000270059087 140040174 /nfs/dbraw/zinc/04/01/74/140040174.db2.gz GRCWOQPWKZVGOM-CZUORRHYSA-N 1 1 333.388 1.577 20 5 EDBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1csc([N+](=O)[O-])c1 ZINC000270736520 140158845 /nfs/dbraw/zinc/15/88/45/140158845.db2.gz ZIDZISBFBTZQJS-GFCCVEGCSA-N 1 1 327.406 1.623 20 5 EDBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000271687069 140333871 /nfs/dbraw/zinc/33/38/71/140333871.db2.gz DNXVLKPAHVQUSY-JTQLQIEISA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000271687069 140333874 /nfs/dbraw/zinc/33/38/74/140333874.db2.gz DNXVLKPAHVQUSY-JTQLQIEISA-N 1 1 347.824 1.929 20 5 EDBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272257244 140425616 /nfs/dbraw/zinc/42/56/16/140425616.db2.gz WIINTJYMTLKWFT-UHFFFAOYSA-N 1 1 329.303 1.974 20 5 EDBDMO Cc1c[nH+]cn1C1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000331675338 141065636 /nfs/dbraw/zinc/06/56/36/141065636.db2.gz QXIBFWIYKXVMMA-UHFFFAOYSA-N 1 1 346.391 1.895 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339396641 142036437 /nfs/dbraw/zinc/03/64/37/142036437.db2.gz YNRVKWOVYRCJHH-HZPDHXFCSA-N 1 1 348.403 1.328 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+](CC)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000339631727 142100820 /nfs/dbraw/zinc/10/08/20/142100820.db2.gz YPSPBFGQVCDXSR-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000339631727 142100821 /nfs/dbraw/zinc/10/08/21/142100821.db2.gz YPSPBFGQVCDXSR-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2(O)CCCC2)CC1 ZINC000339739769 142140289 /nfs/dbraw/zinc/14/02/89/142140289.db2.gz IPXFHDBPWJSKME-UHFFFAOYSA-N 1 1 333.388 1.658 20 5 EDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1c[nH+]ccc1-n1cccn1 ZINC000346898522 143257941 /nfs/dbraw/zinc/25/79/41/143257941.db2.gz GJYBUMGYXVNFFU-UHFFFAOYSA-N 1 1 327.304 1.401 20 5 EDBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000416495076 304324745 /nfs/dbraw/zinc/32/47/45/304324745.db2.gz KPYPKRQKSKYLBW-VIFPVBQESA-N 1 1 333.797 1.478 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000347234661 143298217 /nfs/dbraw/zinc/29/82/17/143298217.db2.gz ZUFSPVDRQOTLRM-FZMZJTMJSA-N 1 1 335.360 1.807 20 5 EDBDMO O=C(NCC[N@H+]1CCCOCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347302264 143305673 /nfs/dbraw/zinc/30/56/73/143305673.db2.gz MGUDYANYJOFTEZ-UHFFFAOYSA-N 1 1 326.328 1.578 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C ZINC000347316793 143307650 /nfs/dbraw/zinc/30/76/50/143307650.db2.gz SSGLJUFNGBLBFB-ZYHUDNBSSA-N 1 1 338.360 1.995 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C ZINC000347316793 143307651 /nfs/dbraw/zinc/30/76/51/143307651.db2.gz SSGLJUFNGBLBFB-ZYHUDNBSSA-N 1 1 338.360 1.995 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000355343282 150225713 /nfs/dbraw/zinc/22/57/13/150225713.db2.gz ZCBQYBCAJZPYDJ-GJZGRUSLSA-N 1 1 337.351 1.669 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3NC)[C@@H]2C1 ZINC000355390069 150249548 /nfs/dbraw/zinc/24/95/48/150249548.db2.gz UHYDLJHPKYBZTI-CABCVRRESA-N 1 1 348.403 1.572 20 5 EDBDMO CC[C@@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000355753292 150386065 /nfs/dbraw/zinc/38/60/65/150386065.db2.gz ZLUMCLYVVAAZNU-OCCSQVGLSA-N 1 1 338.360 1.349 20 5 EDBDMO CCC[N@@H+](CC)C[C@H](C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000357804245 151156629 /nfs/dbraw/zinc/15/66/29/151156629.db2.gz LKMZDZRBBBGNGO-NSHDSACASA-N 1 1 344.437 1.775 20 5 EDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000357878208 151181754 /nfs/dbraw/zinc/18/17/54/151181754.db2.gz HUIKJRGWNUOAHY-LBPRGKRZSA-N 1 1 326.401 1.211 20 5 EDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000358041275 151244466 /nfs/dbraw/zinc/24/44/66/151244466.db2.gz JUVDQEXRQBIHRH-GFCCVEGCSA-N 1 1 346.387 1.917 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCN(c2ncccn2)CC1 ZINC000370082035 155317113 /nfs/dbraw/zinc/31/71/13/155317113.db2.gz IHFWHXRKEQBYPW-UHFFFAOYSA-N 1 1 331.380 1.219 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCN(c2ncccn2)CC1 ZINC000370082035 155317117 /nfs/dbraw/zinc/31/71/17/155317117.db2.gz IHFWHXRKEQBYPW-UHFFFAOYSA-N 1 1 331.380 1.219 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1 ZINC000360736402 152176460 /nfs/dbraw/zinc/17/64/60/152176460.db2.gz FWMYFUAKBKDZHU-GXTWGEPZSA-N 1 1 349.387 1.587 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1 ZINC000360736402 152176463 /nfs/dbraw/zinc/17/64/63/152176463.db2.gz FWMYFUAKBKDZHU-GXTWGEPZSA-N 1 1 349.387 1.587 20 5 EDBDMO CCOC(=O)c1cc(N2CC[N@@H+]3CCOC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363774015 153052758 /nfs/dbraw/zinc/05/27/58/153052758.db2.gz GCSFYNYTQQXPDU-CYBMUJFWSA-N 1 1 335.360 1.292 20 5 EDBDMO CCOC(=O)c1cc(N2CC[N@H+]3CCOC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363774015 153052762 /nfs/dbraw/zinc/05/27/62/153052762.db2.gz GCSFYNYTQQXPDU-CYBMUJFWSA-N 1 1 335.360 1.292 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCN3CCOC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363801107 153060360 /nfs/dbraw/zinc/06/03/60/153060360.db2.gz RZEYLNDAILPDBB-AWEZNQCLSA-N 1 1 348.403 1.248 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000364219313 153177407 /nfs/dbraw/zinc/17/74/07/153177407.db2.gz VYBPAWKEMANVOW-NSHDSACASA-N 1 1 325.340 1.263 20 5 EDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364952502 153381512 /nfs/dbraw/zinc/38/15/12/153381512.db2.gz CVZHMSYNFSPDSG-OZVIIMIRSA-N 1 1 346.387 1.509 20 5 EDBDMO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)nc1 ZINC000367515745 154156432 /nfs/dbraw/zinc/15/64/32/154156432.db2.gz WMFDQKSZWWUJFU-AWEZNQCLSA-N 1 1 345.359 1.810 20 5 EDBDMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)nc1 ZINC000367515745 154156436 /nfs/dbraw/zinc/15/64/36/154156436.db2.gz WMFDQKSZWWUJFU-AWEZNQCLSA-N 1 1 345.359 1.810 20 5 EDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(Cc2ccncc2)CC1 ZINC000367556040 154174781 /nfs/dbraw/zinc/17/47/81/154174781.db2.gz GBPHVDHRLYBTBI-UHFFFAOYSA-N 1 1 344.419 1.783 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000367583821 154187918 /nfs/dbraw/zinc/18/79/18/154187918.db2.gz SWROOBLBNFNQKL-GWCFXTLKSA-N 1 1 343.380 1.449 20 5 EDBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000367791979 154272627 /nfs/dbraw/zinc/27/26/27/154272627.db2.gz MKKKAWPANITSPT-GFCCVEGCSA-N 1 1 344.375 1.867 20 5 EDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371583580 156016816 /nfs/dbraw/zinc/01/68/16/156016816.db2.gz NGCGGWLZWMKRJP-SCRDCRAPSA-N 1 1 331.376 1.360 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373909171 157060284 /nfs/dbraw/zinc/06/02/84/157060284.db2.gz JWYKEEUKJFUIJU-DIFFPNOSSA-N 1 1 349.387 1.777 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373909171 157060285 /nfs/dbraw/zinc/06/02/85/157060285.db2.gz JWYKEEUKJFUIJU-DIFFPNOSSA-N 1 1 349.387 1.777 20 5 EDBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000374002419 157101702 /nfs/dbraw/zinc/10/17/02/157101702.db2.gz LGLWOVNAOCCCPI-SLUKUZTOSA-N 1 1 329.400 1.963 20 5 EDBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000374002419 157101704 /nfs/dbraw/zinc/10/17/04/157101704.db2.gz LGLWOVNAOCCCPI-SLUKUZTOSA-N 1 1 329.400 1.963 20 5 EDBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000374002419 157101707 /nfs/dbraw/zinc/10/17/07/157101707.db2.gz LGLWOVNAOCCCPI-SLUKUZTOSA-N 1 1 329.400 1.963 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000374078396 157133802 /nfs/dbraw/zinc/13/38/02/157133802.db2.gz JVRRSZSRSXKRNJ-RHSMWYFYSA-N 1 1 346.431 1.942 20 5 EDBDMO CNC(=O)c1ccc(N2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000374348710 157254889 /nfs/dbraw/zinc/25/48/89/157254889.db2.gz GSMSAGTXSYRVKJ-GFCCVEGCSA-N 1 1 329.360 1.682 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000374532744 157319949 /nfs/dbraw/zinc/31/99/49/157319949.db2.gz ZQANBLSWYKVPBS-HZPDHXFCSA-N 1 1 334.351 1.723 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000374532744 157319953 /nfs/dbraw/zinc/31/99/53/157319953.db2.gz ZQANBLSWYKVPBS-HZPDHXFCSA-N 1 1 334.351 1.723 20 5 EDBDMO COc1ccc([C@@H](O)[C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000378249128 158120543 /nfs/dbraw/zinc/12/05/43/158120543.db2.gz OJIPWNVWTOOEGG-IAGOWNOFSA-N 1 1 346.387 1.998 20 5 EDBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000378300136 158133357 /nfs/dbraw/zinc/13/33/57/158133357.db2.gz VMRABNTYDDCRLX-UONOGXRCSA-N 1 1 348.403 1.376 20 5 EDBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000378300136 158133360 /nfs/dbraw/zinc/13/33/60/158133360.db2.gz VMRABNTYDDCRLX-UONOGXRCSA-N 1 1 348.403 1.376 20 5 EDBDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000378317779 158138961 /nfs/dbraw/zinc/13/89/61/158138961.db2.gz SNBLFBMGYSCWRV-LLVKDONJSA-N 1 1 332.364 1.565 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000378407552 158165921 /nfs/dbraw/zinc/16/59/21/158165921.db2.gz XTFJRCCYQFBNMH-STQMWFEESA-N 1 1 329.360 1.156 20 5 EDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000378535234 158202912 /nfs/dbraw/zinc/20/29/12/158202912.db2.gz QEVFBVLMJGLBPV-LLVKDONJSA-N 1 1 336.417 1.440 20 5 EDBDMO CN(C)C(=O)C(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000074286407 287269407 /nfs/dbraw/zinc/26/94/07/287269407.db2.gz HVARGWUEXWJTKC-UHFFFAOYSA-N 1 1 342.783 1.643 20 5 EDBDMO CCC[NH+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000077942011 287291469 /nfs/dbraw/zinc/29/14/69/287291469.db2.gz OHHUDKTZODQWJA-UHFFFAOYSA-N 1 1 343.387 1.948 20 5 EDBDMO Cc1cc(C(=O)NCCCCN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000122469773 287380721 /nfs/dbraw/zinc/38/07/21/287380721.db2.gz MSFGCBPAPLKHOK-UHFFFAOYSA-N 1 1 334.420 1.661 20 5 EDBDMO COCc1cc([N+](=O)[O-])ccc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000267521268 273021009 /nfs/dbraw/zinc/02/10/09/273021009.db2.gz GECMBLZBRZUQSN-GUYCJALGSA-N 1 1 335.404 1.898 20 5 EDBDMO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000274731663 273098304 /nfs/dbraw/zinc/09/83/04/273098304.db2.gz ULMCTLIYKFZKCO-LBPRGKRZSA-N 1 1 327.406 1.746 20 5 EDBDMO COC[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000275777278 273128026 /nfs/dbraw/zinc/12/80/26/273128026.db2.gz BQVYCXWDBPVUAI-INWMFGNUSA-N 1 1 340.376 1.070 20 5 EDBDMO COC[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000275777278 273128027 /nfs/dbraw/zinc/12/80/27/273128027.db2.gz BQVYCXWDBPVUAI-INWMFGNUSA-N 1 1 340.376 1.070 20 5 EDBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCO1 ZINC000277643839 273213882 /nfs/dbraw/zinc/21/38/82/273213882.db2.gz SEJINNTUBDMPIC-GFCCVEGCSA-N 1 1 337.376 1.531 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCO1 ZINC000277643839 273213883 /nfs/dbraw/zinc/21/38/83/273213883.db2.gz SEJINNTUBDMPIC-GFCCVEGCSA-N 1 1 337.376 1.531 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284527065 274234156 /nfs/dbraw/zinc/23/41/56/274234156.db2.gz WNOOECQDGIAMGF-YGRLFVJLSA-N 1 1 336.367 1.872 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[N@@H+](C)C1 ZINC000284774666 274326838 /nfs/dbraw/zinc/32/68/38/274326838.db2.gz XSXAERDXMXPKFY-MYNUTGAYSA-N 1 1 333.388 1.786 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284839247 274353825 /nfs/dbraw/zinc/35/38/25/274353825.db2.gz QWOZQIGEXPGADY-WBVHZDCISA-N 1 1 335.404 1.898 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284839247 274353826 /nfs/dbraw/zinc/35/38/26/274353826.db2.gz QWOZQIGEXPGADY-WBVHZDCISA-N 1 1 335.404 1.898 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284845800 274356709 /nfs/dbraw/zinc/35/67/09/274356709.db2.gz CMQMOAJTABSZLV-KGLIPLIRSA-N 1 1 339.779 1.793 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000363872018 275012645 /nfs/dbraw/zinc/01/26/45/275012645.db2.gz JZTDJYVGPATXIN-ZDUSSCGKSA-N 1 1 334.376 1.174 20 5 EDBDMO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000352499934 276011975 /nfs/dbraw/zinc/01/19/75/276011975.db2.gz MDJVPOBUVWVQRZ-NSHDSACASA-N 1 1 345.396 1.887 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000352499934 276011976 /nfs/dbraw/zinc/01/19/76/276011976.db2.gz MDJVPOBUVWVQRZ-NSHDSACASA-N 1 1 345.396 1.887 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000287397278 288228661 /nfs/dbraw/zinc/22/86/61/288228661.db2.gz NVARUQULUFVAJO-CQSZACIVSA-N 1 1 346.387 1.138 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000191858407 280395226 /nfs/dbraw/zinc/39/52/26/280395226.db2.gz XDMLJVYWQCKYSL-UHFFFAOYSA-N 1 1 327.406 1.538 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000191858407 280395227 /nfs/dbraw/zinc/39/52/27/280395227.db2.gz XDMLJVYWQCKYSL-UHFFFAOYSA-N 1 1 327.406 1.538 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292225338 289293799 /nfs/dbraw/zinc/29/37/99/289293799.db2.gz VGDHETGXSDMEAM-SUMWQHHRSA-N 1 1 332.404 1.949 20 5 EDBDMO CC(C)C[C@H]1C(=O)NCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293710127 303007295 /nfs/dbraw/zinc/00/72/95/303007295.db2.gz XSBIWRIXCAHQES-JKSUJKDBSA-N 1 1 335.404 1.865 20 5 EDBDMO CC(C)C[C@H]1C(=O)NCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293710127 303007296 /nfs/dbraw/zinc/00/72/96/303007296.db2.gz XSBIWRIXCAHQES-JKSUJKDBSA-N 1 1 335.404 1.865 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000341033231 303020074 /nfs/dbraw/zinc/02/00/74/303020074.db2.gz LBMHWFZECINQJL-OAHLLOKOSA-N 1 1 345.403 1.491 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000294032154 303053826 /nfs/dbraw/zinc/05/38/26/303053826.db2.gz RNRZKNRZIGFDCJ-XQQFMLRXSA-N 1 1 348.403 1.264 20 5 EDBDMO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000294120486 303065759 /nfs/dbraw/zinc/06/57/59/303065759.db2.gz ZPSWNSSLOOERAO-BETUJISGSA-N 1 1 348.403 1.266 20 5 EDBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](CCCO)CC1 ZINC000301697288 303690296 /nfs/dbraw/zinc/69/02/96/303690296.db2.gz QMFRJVGDCMNZNN-UHFFFAOYSA-N 1 1 345.197 1.257 20 5 EDBDMO CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCNC1=O ZINC000440956334 305214720 /nfs/dbraw/zinc/21/47/20/305214720.db2.gz AZXNFULDHCMXSH-GFCCVEGCSA-N 1 1 348.359 1.103 20 5 EDBDMO C[C@@H]1[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC[N@H+]1C ZINC000445252986 305258338 /nfs/dbraw/zinc/25/83/38/305258338.db2.gz SOLWLKTXEQFIEW-ZYHUDNBSSA-N 1 1 346.391 1.753 20 5 EDBDMO COC1(CO)CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000447090642 305273762 /nfs/dbraw/zinc/27/37/62/305273762.db2.gz YVQDZQAQUIBUBP-UHFFFAOYSA-N 1 1 338.360 1.435 20 5 EDBDMO CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448554481 305298282 /nfs/dbraw/zinc/29/82/82/305298282.db2.gz HQRQWESSAZOHCP-UHFFFAOYSA-N 1 1 329.360 1.558 20 5 EDBDMO NS(=O)(=O)CCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546749 305352626 /nfs/dbraw/zinc/35/26/26/305352626.db2.gz JQMITLSPVRSZIJ-CYBMUJFWSA-N 1 1 327.406 1.453 20 5 EDBDMO COC[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000451922808 305372747 /nfs/dbraw/zinc/37/27/47/305372747.db2.gz GOZNMXLTYITSTP-BLLLJJGKSA-N 1 1 337.376 1.253 20 5 EDBDMO COC[C@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000451922808 305372748 /nfs/dbraw/zinc/37/27/48/305372748.db2.gz GOZNMXLTYITSTP-BLLLJJGKSA-N 1 1 337.376 1.253 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](CCCO)C2)cc1 ZINC000452129158 305384627 /nfs/dbraw/zinc/38/46/27/305384627.db2.gz YTEJSDVCGIBYDG-ZDUSSCGKSA-N 1 1 342.417 1.463 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](CCCO)C2)cc1 ZINC000452129158 305384628 /nfs/dbraw/zinc/38/46/28/305384628.db2.gz YTEJSDVCGIBYDG-ZDUSSCGKSA-N 1 1 342.417 1.463 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000452132390 305384807 /nfs/dbraw/zinc/38/48/07/305384807.db2.gz QNALWPUMNFQTLL-ZDUSSCGKSA-N 1 1 346.387 1.748 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000452352328 305391867 /nfs/dbraw/zinc/39/18/67/305391867.db2.gz RTYGXYFNAUHTDU-CQSZACIVSA-N 1 1 347.371 1.918 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000452370856 305394088 /nfs/dbraw/zinc/39/40/88/305394088.db2.gz GSZJSJXTCWPNSR-LBPRGKRZSA-N 1 1 346.387 1.653 20 5 EDBDMO COc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000452395145 305397771 /nfs/dbraw/zinc/39/77/71/305397771.db2.gz WDUHBDFPKTYRQS-ZDUSSCGKSA-N 1 1 337.376 1.180 20 5 EDBDMO CNc1nc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454282344 305422047 /nfs/dbraw/zinc/42/20/47/305422047.db2.gz VWDRPUQVRFTDCW-GFCCVEGCSA-N 1 1 333.348 1.657 20 5 EDBDMO C[C@H]([C@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000491519576 305576783 /nfs/dbraw/zinc/57/67/83/305576783.db2.gz JOQQZISFHHXNLL-HYLRALAJSA-N 1 1 333.388 1.833 20 5 EDBDMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000377793464 447359546 /nfs/dbraw/zinc/35/95/46/447359546.db2.gz SHFAUIDSIMCZMC-WBMYTEFPSA-N 1 1 338.433 1.443 20 5 EDBDMO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000377793464 447359552 /nfs/dbraw/zinc/35/95/52/447359552.db2.gz SHFAUIDSIMCZMC-WBMYTEFPSA-N 1 1 338.433 1.443 20 5 EDBDMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000377793464 447359560 /nfs/dbraw/zinc/35/95/60/447359560.db2.gz SHFAUIDSIMCZMC-WBMYTEFPSA-N 1 1 338.433 1.443 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H]1C ZINC000535747805 306016450 /nfs/dbraw/zinc/01/64/50/306016450.db2.gz PHHWQJYGVHDOAA-NEPJUHHUSA-N 1 1 349.387 1.921 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000535751782 306016552 /nfs/dbraw/zinc/01/65/52/306016552.db2.gz VCXYFTSTVXFYBO-QWRGUYRKSA-N 1 1 335.360 1.878 20 5 EDBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000549772444 306148758 /nfs/dbraw/zinc/14/87/58/306148758.db2.gz DUPHXYZEYSMMPP-OKILXGFUSA-N 1 1 341.371 1.522 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000425987985 447373185 /nfs/dbraw/zinc/37/31/85/447373185.db2.gz DGFZPPAFZQYXJM-YPMHNXCESA-N 1 1 338.360 1.349 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)C1CC1 ZINC000102184099 441165985 /nfs/dbraw/zinc/16/59/85/441165985.db2.gz UJIMGDLRANBUEQ-UHFFFAOYSA-N 1 1 341.433 1.974 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000103998504 441187103 /nfs/dbraw/zinc/18/71/03/441187103.db2.gz GKQOJUYPMDNYCY-ZDUSSCGKSA-N 1 1 336.392 1.234 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000104070311 441187727 /nfs/dbraw/zinc/18/77/27/441187727.db2.gz BPSDZTWJENABAR-ZDUSSCGKSA-N 1 1 338.433 1.570 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000378507953 447438029 /nfs/dbraw/zinc/43/80/29/447438029.db2.gz NZWHKPSPBRHPDB-TZMCWYRMSA-N 1 1 339.417 1.618 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000378507953 447438033 /nfs/dbraw/zinc/43/80/33/447438033.db2.gz NZWHKPSPBRHPDB-TZMCWYRMSA-N 1 1 339.417 1.618 20 5 EDBDMO COC(=O)c1cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000047142741 441159188 /nfs/dbraw/zinc/15/91/88/441159188.db2.gz PZJZWZHGZXGFJQ-LBPRGKRZSA-N 1 1 349.387 1.986 20 5 EDBDMO CCOC[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000081523029 441281163 /nfs/dbraw/zinc/28/11/63/441281163.db2.gz TVBWYKXUQACNRD-CYBMUJFWSA-N 1 1 333.388 1.842 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106483136 441346566 /nfs/dbraw/zinc/34/65/66/441346566.db2.gz WXCQZYWNYNXGPK-GFCCVEGCSA-N 1 1 335.408 1.002 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC1)OCCO2 ZINC000028077653 441425663 /nfs/dbraw/zinc/42/56/63/441425663.db2.gz YYEIFIQHCJMUGC-GFCCVEGCSA-N 1 1 335.360 1.761 20 5 EDBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000108406607 441451992 /nfs/dbraw/zinc/45/19/92/441451992.db2.gz IDFPLMCIGDOMIG-GFCCVEGCSA-N 1 1 327.406 1.523 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000075718545 441551828 /nfs/dbraw/zinc/55/18/28/441551828.db2.gz CMTIGEVTALJAEK-OCCSQVGLSA-N 1 1 334.351 1.781 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NCCCCN1CC[NH+](CCO)CC1 ZINC000114450873 441657571 /nfs/dbraw/zinc/65/75/71/441657571.db2.gz FDHWWTVEJDPPFJ-UHFFFAOYSA-N 1 1 336.436 1.705 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000173412253 441739977 /nfs/dbraw/zinc/73/99/77/441739977.db2.gz QHADARKLMSSRIM-CYBMUJFWSA-N 1 1 327.406 1.618 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000173412253 441739980 /nfs/dbraw/zinc/73/99/80/441739980.db2.gz QHADARKLMSSRIM-CYBMUJFWSA-N 1 1 327.406 1.618 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000173718367 441828373 /nfs/dbraw/zinc/82/83/73/441828373.db2.gz WRHPTYOLYQPFAL-CQSZACIVSA-N 1 1 334.420 1.517 20 5 EDBDMO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000122055462 441832533 /nfs/dbraw/zinc/83/25/33/441832533.db2.gz QWZIUGHKFYTSFL-CQSZACIVSA-N 1 1 334.420 1.137 20 5 EDBDMO NC(=O)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000068951216 441873571 /nfs/dbraw/zinc/87/35/71/441873571.db2.gz VAHNCLYBXBTKOL-OAHLLOKOSA-N 1 1 333.319 1.929 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CO)C1 ZINC000122202937 441839514 /nfs/dbraw/zinc/83/95/14/441839514.db2.gz ARRGNEDXUFYTFE-LBPRGKRZSA-N 1 1 337.376 1.636 20 5 EDBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000124059835 441906356 /nfs/dbraw/zinc/90/63/56/441906356.db2.gz GRIMABOWSVHJQL-VHSXEESVSA-N 1 1 343.380 1.637 20 5 EDBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000124059835 441906359 /nfs/dbraw/zinc/90/63/59/441906359.db2.gz GRIMABOWSVHJQL-VHSXEESVSA-N 1 1 343.380 1.637 20 5 EDBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000174373221 441918638 /nfs/dbraw/zinc/91/86/38/441918638.db2.gz VGRZSMIYHHWXNH-CYBMUJFWSA-N 1 1 349.387 1.613 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118097551 441887331 /nfs/dbraw/zinc/88/73/31/441887331.db2.gz XUAGFILWHGOKGS-ZDUSSCGKSA-N 1 1 334.376 1.442 20 5 EDBDMO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C[NH+]1CCOCC1 ZINC000150919664 441975157 /nfs/dbraw/zinc/97/51/57/441975157.db2.gz ABGDNPVTPNTSOV-LBPRGKRZSA-N 1 1 348.403 1.860 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000150712698 441934214 /nfs/dbraw/zinc/93/42/14/441934214.db2.gz BWUOAZYLRLJTSI-GFCCVEGCSA-N 1 1 337.376 1.302 20 5 EDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000078631134 441956160 /nfs/dbraw/zinc/95/61/60/441956160.db2.gz NQPGNSCFUCPOTI-OAHLLOKOSA-N 1 1 333.388 1.461 20 5 EDBDMO Cc1nc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000450292687 447444403 /nfs/dbraw/zinc/44/44/03/447444403.db2.gz IJEZAFZQRAMIAX-OKILXGFUSA-N 1 1 348.451 1.688 20 5 EDBDMO O=C(NCCC[NH+]1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000120301224 442045559 /nfs/dbraw/zinc/04/55/59/442045559.db2.gz SKDYSHYKIDGNMM-UHFFFAOYSA-N 1 1 332.360 1.528 20 5 EDBDMO C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000121274590 442198380 /nfs/dbraw/zinc/19/83/80/442198380.db2.gz FHLDGHXQXFMULV-DOMZBBRYSA-N 1 1 336.392 1.156 20 5 EDBDMO C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000121274590 442198384 /nfs/dbraw/zinc/19/83/84/442198384.db2.gz FHLDGHXQXFMULV-DOMZBBRYSA-N 1 1 336.392 1.156 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000153730130 442298595 /nfs/dbraw/zinc/29/85/95/442298595.db2.gz SBVRDBGMKVMFND-AWEZNQCLSA-N 1 1 349.387 1.938 20 5 EDBDMO CCc1n[nH]c(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000171398514 442345684 /nfs/dbraw/zinc/34/56/84/442345684.db2.gz DWVNBABPRPLUHW-PHIMTYICSA-N 1 1 339.396 1.109 20 5 EDBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171708867 442372921 /nfs/dbraw/zinc/37/29/21/442372921.db2.gz JWSRMOPIEDDIGW-ZDUSSCGKSA-N 1 1 335.408 1.030 20 5 EDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1C[N@H+](C)CCO1 ZINC000154785726 442356743 /nfs/dbraw/zinc/35/67/43/442356743.db2.gz VZQOCDARXMCATK-XHDPSFHLSA-N 1 1 344.371 1.592 20 5 EDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1C[N@@H+](C)CCO1 ZINC000154785726 442356746 /nfs/dbraw/zinc/35/67/46/442356746.db2.gz VZQOCDARXMCATK-XHDPSFHLSA-N 1 1 344.371 1.592 20 5 EDBDMO Cc1cccc(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)[nH+]1 ZINC000172249351 442430076 /nfs/dbraw/zinc/43/00/76/442430076.db2.gz UIDAVVROOHYVTD-UHFFFAOYSA-N 1 1 344.375 1.280 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186199733 442484188 /nfs/dbraw/zinc/48/41/88/442484188.db2.gz LTFRIEUECDAEJF-CYBMUJFWSA-N 1 1 327.406 1.499 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000173022167 442588320 /nfs/dbraw/zinc/58/83/20/442588320.db2.gz JFSKNJAJNADRLT-SECBINFHSA-N 1 1 331.419 1.419 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186706787 442595615 /nfs/dbraw/zinc/59/56/15/442595615.db2.gz MYZMOVBXGVQWRU-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]2C1 ZINC000192507208 442654959 /nfs/dbraw/zinc/65/49/59/442654959.db2.gz VTZWFFITSJMBFS-BETUJISGSA-N 1 1 341.371 1.414 20 5 EDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000180520923 442615514 /nfs/dbraw/zinc/61/55/14/442615514.db2.gz FYBPCBXKOHKOTL-UHFFFAOYSA-N 1 1 341.371 1.360 20 5 EDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000180520923 442615520 /nfs/dbraw/zinc/61/55/20/442615520.db2.gz FYBPCBXKOHKOTL-UHFFFAOYSA-N 1 1 341.371 1.360 20 5 EDBDMO C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1CCO ZINC000187727216 442688986 /nfs/dbraw/zinc/68/89/86/442688986.db2.gz SEOGEIBZPZGCEF-LBPRGKRZSA-N 1 1 347.375 1.143 20 5 EDBDMO C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1CCO ZINC000187727216 442688988 /nfs/dbraw/zinc/68/89/88/442688988.db2.gz SEOGEIBZPZGCEF-LBPRGKRZSA-N 1 1 347.375 1.143 20 5 EDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCCC[C@@H]1O ZINC000181471760 442699087 /nfs/dbraw/zinc/69/90/87/442699087.db2.gz POJCIBAKKJTQHG-YOEHRIQHSA-N 1 1 347.415 1.967 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000181889665 442720395 /nfs/dbraw/zinc/72/03/95/442720395.db2.gz ORRUGTYGZCBKPL-IAPGTGOOSA-N 1 1 336.388 1.427 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000193208678 442722439 /nfs/dbraw/zinc/72/24/39/442722439.db2.gz HOVGINAVQXGQMZ-NSHDSACASA-N 1 1 343.405 1.366 20 5 EDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000188461598 442752681 /nfs/dbraw/zinc/75/26/81/442752681.db2.gz MPGJAQPGFFLYSU-ZDUSSCGKSA-N 1 1 336.392 1.144 20 5 EDBDMO Cc1ccc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188681408 442786707 /nfs/dbraw/zinc/78/67/07/442786707.db2.gz ZRTAWWAJHNEOQL-CYBMUJFWSA-N 1 1 335.404 1.820 20 5 EDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000193827958 442794433 /nfs/dbraw/zinc/79/44/33/442794433.db2.gz SGUMZJTZQSKQFH-AWEZNQCLSA-N 1 1 332.404 1.921 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188732652 442799085 /nfs/dbraw/zinc/79/90/85/442799085.db2.gz CJVWEPVTWDSLKF-CYBMUJFWSA-N 1 1 335.404 1.820 20 5 EDBDMO COc1cccc2c1CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000193711367 442771356 /nfs/dbraw/zinc/77/13/56/442771356.db2.gz AQQVDQRUSRWWKZ-OAHLLOKOSA-N 1 1 346.387 1.262 20 5 EDBDMO C[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[N@H+]1C1CC1 ZINC000268040696 442827196 /nfs/dbraw/zinc/82/71/96/442827196.db2.gz XYIVZYCXSAIJHW-MNOVXSKESA-N 1 1 337.351 1.854 20 5 EDBDMO Cn1cc(Cl)cc1C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000268235096 442911092 /nfs/dbraw/zinc/91/10/92/442911092.db2.gz ZKNJANCWSSSMMB-ZDUSSCGKSA-N 1 1 327.772 1.276 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000265827787 442936913 /nfs/dbraw/zinc/93/69/13/442936913.db2.gz TYYABLXULOYZPW-LBPRGKRZSA-N 1 1 335.408 1.971 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@]3(CO)CCOC3)cs2)c1 ZINC000184186596 442999177 /nfs/dbraw/zinc/99/91/77/442999177.db2.gz DITNISAAJCNTDU-OAHLLOKOSA-N 1 1 335.385 1.959 20 5 EDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@@H+](C)Cc1ccccc1 ZINC000184458106 443023690 /nfs/dbraw/zinc/02/36/90/443023690.db2.gz LOLSRAAOPGHMRP-LBPRGKRZSA-N 1 1 343.387 1.822 20 5 EDBDMO CC1(C)C[N@H+](CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000255168661 443088904 /nfs/dbraw/zinc/08/89/04/443088904.db2.gz LOJLSNBYEQMKQA-YVMONPNESA-N 1 1 333.388 1.835 20 5 EDBDMO CC1(C)C[N@@H+](CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000255168661 443088908 /nfs/dbraw/zinc/08/89/08/443088908.db2.gz LOJLSNBYEQMKQA-YVMONPNESA-N 1 1 333.388 1.835 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000266216908 443061645 /nfs/dbraw/zinc/06/16/45/443061645.db2.gz KXBGKKPHIVGZTP-NEPJUHHUSA-N 1 1 346.387 1.603 20 5 EDBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(CO)CCOCC1 ZINC000191034229 443229127 /nfs/dbraw/zinc/22/91/27/443229127.db2.gz PYNPKJXIYHQDAD-UHFFFAOYSA-N 1 1 348.359 1.618 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+](C[C@H](C)O)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000190890947 443204919 /nfs/dbraw/zinc/20/49/19/443204919.db2.gz LLCDEGCLNBCBHA-RYUDHWBXSA-N 1 1 339.392 1.295 20 5 EDBDMO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000191176679 443253032 /nfs/dbraw/zinc/25/30/32/443253032.db2.gz BKHVDNZWIZDJEA-OSAQELSMSA-N 1 1 335.360 1.030 20 5 EDBDMO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000191176679 443253035 /nfs/dbraw/zinc/25/30/35/443253035.db2.gz BKHVDNZWIZDJEA-OSAQELSMSA-N 1 1 335.360 1.030 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCSC3(CCC3)CC2)c1 ZINC000411871381 319210782 /nfs/dbraw/zinc/21/07/82/319210782.db2.gz RJVWTDXVHCPWFV-CYBMUJFWSA-N 1 1 326.422 1.514 20 5 EDBDMO CC[N@H+]1CC[C@@H](NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412867533 319245067 /nfs/dbraw/zinc/24/50/67/319245067.db2.gz ATHAXUYEVAFRDY-SNVBAGLBSA-N 1 1 325.340 1.495 20 5 EDBDMO CC[N@H+]1CC[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000413856057 319294186 /nfs/dbraw/zinc/29/41/86/319294186.db2.gz KHBZERVCAYZXPD-LBPRGKRZSA-N 1 1 336.396 1.232 20 5 EDBDMO C[N@@H+](Cc1nc2ccccc2o1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000269347229 443289072 /nfs/dbraw/zinc/28/90/72/443289072.db2.gz YDAAYGCUPGHAQT-LBPRGKRZSA-N 1 1 331.332 1.425 20 5 EDBDMO C[N@H+](Cc1nc2ccccc2o1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000269347229 443289076 /nfs/dbraw/zinc/28/90/76/443289076.db2.gz YDAAYGCUPGHAQT-LBPRGKRZSA-N 1 1 331.332 1.425 20 5 EDBDMO COC[C@@H](C)OC[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000278465670 443340051 /nfs/dbraw/zinc/34/00/51/443340051.db2.gz ZKNSYJJFXNKWJB-DYVFJYSZSA-N 1 1 338.404 1.972 20 5 EDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCNC1=O ZINC000282445760 443341275 /nfs/dbraw/zinc/34/12/75/443341275.db2.gz SEMPDZNSYNOKHX-CQSZACIVSA-N 1 1 334.376 1.442 20 5 EDBDMO Cn1ccnc1[C@@H](NC[C@H]1C[N@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000272504016 443342788 /nfs/dbraw/zinc/34/27/88/443342788.db2.gz HROFQFHZDVXZIF-HOTGVXAUSA-N 1 1 345.403 1.338 20 5 EDBDMO Cn1ccnc1[C@@H](NC[C@H]1C[N@@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000272504016 443342791 /nfs/dbraw/zinc/34/27/91/443342791.db2.gz HROFQFHZDVXZIF-HOTGVXAUSA-N 1 1 345.403 1.338 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272592435 443376204 /nfs/dbraw/zinc/37/62/04/443376204.db2.gz NYIXZIASTXBREJ-GOEBONIOSA-N 1 1 332.404 1.873 20 5 EDBDMO O=C(CC[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000282840895 443447699 /nfs/dbraw/zinc/44/76/99/443447699.db2.gz ASZXXHLKBSGPAK-GXTWGEPZSA-N 1 1 346.387 1.666 20 5 EDBDMO O=C(CC[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000282840895 443447702 /nfs/dbraw/zinc/44/77/02/443447702.db2.gz ASZXXHLKBSGPAK-GXTWGEPZSA-N 1 1 346.387 1.666 20 5 EDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCC[C@@H]1O ZINC000270077351 443459253 /nfs/dbraw/zinc/45/92/53/443459253.db2.gz ITSXJGIWNYDILX-CJNGLKHVSA-N 1 1 333.388 1.577 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282903775 443464658 /nfs/dbraw/zinc/46/46/58/443464658.db2.gz YFNIYWLFWKFCNM-UHFFFAOYSA-N 1 1 331.376 1.984 20 5 EDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000265011305 443508152 /nfs/dbraw/zinc/50/81/52/443508152.db2.gz UTADULWBQBGBFU-AWEZNQCLSA-N 1 1 337.424 1.871 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267686836 443541081 /nfs/dbraw/zinc/54/10/81/443541081.db2.gz QLRPDOYHXVNYPU-DGCLKSJQSA-N 1 1 341.433 1.775 20 5 EDBDMO C[N@@H+]1CC=C(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000272256114 443570416 /nfs/dbraw/zinc/57/04/16/443570416.db2.gz PQLXTVQIWNHZDD-UHFFFAOYSA-N 1 1 329.353 1.274 20 5 EDBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000279319988 443555314 /nfs/dbraw/zinc/55/53/14/443555314.db2.gz FZZALOVRGCXHOK-KRWDZBQOSA-N 1 1 347.415 1.897 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000439345560 320045304 /nfs/dbraw/zinc/04/53/04/320045304.db2.gz FVQWRBBAOZBMKK-LBPRGKRZSA-N 1 1 348.403 1.703 20 5 EDBDMO CC(C)(C[NH3+])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440361990 320074160 /nfs/dbraw/zinc/07/41/60/320074160.db2.gz ZGRFGGQHQCNOIA-UHFFFAOYSA-N 1 1 342.204 1.917 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000449199007 320178064 /nfs/dbraw/zinc/17/80/64/320178064.db2.gz DYBSQVCVUMDDOM-NWDGAFQWSA-N 1 1 335.408 1.732 20 5 EDBDMO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000286213515 443669561 /nfs/dbraw/zinc/66/95/61/443669561.db2.gz RXRXGQOHWNNCRS-GFCCVEGCSA-N 1 1 331.376 1.958 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493160845 320393671 /nfs/dbraw/zinc/39/36/71/320393671.db2.gz QWUQAUUEGYDYEC-CMDGGOBGSA-N 1 1 334.420 1.608 20 5 EDBDMO CN(CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000493160845 320393672 /nfs/dbraw/zinc/39/36/72/320393672.db2.gz QWUQAUUEGYDYEC-CMDGGOBGSA-N 1 1 334.420 1.608 20 5 EDBDMO CC[N@H+]1CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286265752 443679425 /nfs/dbraw/zinc/67/94/25/443679425.db2.gz GZZUURVMACHSLD-LLVKDONJSA-N 1 1 342.421 1.033 20 5 EDBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000290917320 443710255 /nfs/dbraw/zinc/71/02/55/443710255.db2.gz XDWKFBDCLKDCND-LLVKDONJSA-N 1 1 344.437 1.775 20 5 EDBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000291047405 443740097 /nfs/dbraw/zinc/74/00/97/443740097.db2.gz DFWFFGBLIOHQEL-LLVKDONJSA-N 1 1 344.437 1.775 20 5 EDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000281120871 443825521 /nfs/dbraw/zinc/82/55/21/443825521.db2.gz HLUYKMVKPOUJEQ-GFCCVEGCSA-N 1 1 336.392 1.945 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000277049514 443895521 /nfs/dbraw/zinc/89/55/21/443895521.db2.gz LMPBVGOCZUIUFT-UHFFFAOYSA-N 1 1 341.433 1.928 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000277049514 443895525 /nfs/dbraw/zinc/89/55/25/443895525.db2.gz LMPBVGOCZUIUFT-UHFFFAOYSA-N 1 1 341.433 1.928 20 5 EDBDMO CCOC(=O)c1cc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000285088227 443851552 /nfs/dbraw/zinc/85/15/52/443851552.db2.gz QBEIZFFMDAALJJ-HZPDHXFCSA-N 1 1 349.387 1.681 20 5 EDBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000299060528 443942839 /nfs/dbraw/zinc/94/28/39/443942839.db2.gz IYIBMXXFWZEOJQ-UHFFFAOYSA-N 1 1 337.424 1.762 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293123547 443930896 /nfs/dbraw/zinc/93/08/96/443930896.db2.gz ZIWBICHHPVOPHG-AWEZNQCLSA-N 1 1 347.375 1.395 20 5 EDBDMO Cc1c(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cccc1[N+](=O)[O-] ZINC000293123758 443930976 /nfs/dbraw/zinc/93/09/76/443930976.db2.gz ZJXLIEPQOAXPKR-OAHLLOKOSA-N 1 1 331.376 1.824 20 5 EDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)CO ZINC000293336449 443987482 /nfs/dbraw/zinc/98/74/82/443987482.db2.gz GVYKWEKOSXYJMH-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)N1CCCCCC1 ZINC000285453807 443989887 /nfs/dbraw/zinc/98/98/87/443989887.db2.gz AEDJOLZWFMVFHG-UHFFFAOYSA-N 1 1 337.424 1.904 20 5 EDBDMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000299405538 444038249 /nfs/dbraw/zinc/03/82/49/444038249.db2.gz SNAPNWHGQVTUCG-ZDUSSCGKSA-N 1 1 348.403 1.784 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000289077200 444047564 /nfs/dbraw/zinc/04/75/64/444047564.db2.gz ARPZNZRMCRIKSN-HNNXBMFYSA-N 1 1 341.433 1.759 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000289077200 444047569 /nfs/dbraw/zinc/04/75/69/444047569.db2.gz ARPZNZRMCRIKSN-HNNXBMFYSA-N 1 1 341.433 1.759 20 5 EDBDMO COCCOCC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000289083290 444049564 /nfs/dbraw/zinc/04/95/64/444049564.db2.gz TTWILYOXKSIRAA-UHFFFAOYSA-N 1 1 326.349 1.556 20 5 EDBDMO COCCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000289083290 444049569 /nfs/dbraw/zinc/04/95/69/444049569.db2.gz TTWILYOXKSIRAA-UHFFFAOYSA-N 1 1 326.349 1.556 20 5 EDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277636115 444018677 /nfs/dbraw/zinc/01/86/77/444018677.db2.gz SPSYYWYOSYTZAN-LBPRGKRZSA-N 1 1 337.376 1.132 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](CC)CCO ZINC000281996721 444058774 /nfs/dbraw/zinc/05/87/74/444058774.db2.gz PYIWDUSGFVPPSE-UHFFFAOYSA-N 1 1 340.380 1.429 20 5 EDBDMO CCc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000564909041 321156011 /nfs/dbraw/zinc/15/60/11/321156011.db2.gz ZJVLTKKZYCVKLC-CYBMUJFWSA-N 1 1 341.433 1.872 20 5 EDBDMO CC(C)N1C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000285917334 444151822 /nfs/dbraw/zinc/15/18/22/444151822.db2.gz KQOVIKFXZAQXTF-PMPSAXMXSA-N 1 1 348.403 1.505 20 5 EDBDMO CC(C)N1C(=O)N[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000285917334 444151826 /nfs/dbraw/zinc/15/18/26/444151826.db2.gz KQOVIKFXZAQXTF-PMPSAXMXSA-N 1 1 348.403 1.505 20 5 EDBDMO Cc1cnc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000301967509 444198457 /nfs/dbraw/zinc/19/84/57/444198457.db2.gz OUKNETBFLQUPPX-CYBMUJFWSA-N 1 1 333.392 1.217 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC000304288504 444245273 /nfs/dbraw/zinc/24/52/73/444245273.db2.gz BLXNGBJTMUJFFS-GOEBONIOSA-N 1 1 337.424 1.103 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC000304288504 444245276 /nfs/dbraw/zinc/24/52/76/444245276.db2.gz BLXNGBJTMUJFFS-GOEBONIOSA-N 1 1 337.424 1.103 20 5 EDBDMO C[N@@H+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000290426084 444279131 /nfs/dbraw/zinc/27/91/31/444279131.db2.gz AFHWCHMUNRVGAH-CQSZACIVSA-N 1 1 341.371 1.582 20 5 EDBDMO C[N@H+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000290426084 444279132 /nfs/dbraw/zinc/27/91/32/444279132.db2.gz AFHWCHMUNRVGAH-CQSZACIVSA-N 1 1 341.371 1.582 20 5 EDBDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330997600 444352346 /nfs/dbraw/zinc/35/23/46/444352346.db2.gz VEOMLXSEXPUJDR-MNOVXSKESA-N 1 1 336.314 1.815 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1Cc1ccccc1 ZINC000340626199 444463779 /nfs/dbraw/zinc/46/37/79/444463779.db2.gz AQCLXMVMPRQNFU-HNNXBMFYSA-N 1 1 328.372 1.922 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1Cc1ccccc1 ZINC000340626199 444463781 /nfs/dbraw/zinc/46/37/81/444463781.db2.gz AQCLXMVMPRQNFU-HNNXBMFYSA-N 1 1 328.372 1.922 20 5 EDBDMO Cc1ccnc([C@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000580580836 322070964 /nfs/dbraw/zinc/07/09/64/322070964.db2.gz IYVSVZUQVDPQKW-DZGCQCFKSA-N 1 1 331.376 1.345 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000340860472 444547772 /nfs/dbraw/zinc/54/77/72/444547772.db2.gz SKALIXQZBSHGIY-RYUDHWBXSA-N 1 1 325.413 1.665 20 5 EDBDMO CNS(=O)(=O)c1ccc(NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000338396936 444672732 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COCCn1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000353697600 445713937 /nfs/dbraw/zinc/71/39/37/445713937.db2.gz IAYWESBQKKIRIV-CQSZACIVSA-N 1 1 346.391 1.519 20 5 EDBDMO COCCn1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000353697600 445713941 /nfs/dbraw/zinc/71/39/41/445713941.db2.gz IAYWESBQKKIRIV-CQSZACIVSA-N 1 1 346.391 1.519 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000363389450 445784171 /nfs/dbraw/zinc/78/41/71/445784171.db2.gz CRVJTFVJNORHME-ZDUSSCGKSA-N 1 1 335.408 1.623 20 5 EDBDMO C[C@@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1N(C)C ZINC000358837408 445802496 /nfs/dbraw/zinc/80/24/96/445802496.db2.gz XRFPWSLOVAGVFP-DOMZBBRYSA-N 1 1 348.403 1.775 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1N(C)C ZINC000358837408 445802499 /nfs/dbraw/zinc/80/24/99/445802499.db2.gz XRFPWSLOVAGVFP-DOMZBBRYSA-N 1 1 348.403 1.775 20 5 EDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CCn4cc[nH+]c4C3)n2)n1C 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1 1 326.328 1.264 20 5 EDBDMO CN(C)c1ncc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1C ZINC000425336931 447121595 /nfs/dbraw/zinc/12/15/95/447121595.db2.gz MPRGTVBYYFWGTR-GFCCVEGCSA-N 1 1 345.407 1.476 20 5 EDBDMO CN(C)c1ncc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1C ZINC000425336931 447121599 /nfs/dbraw/zinc/12/15/99/447121599.db2.gz MPRGTVBYYFWGTR-GFCCVEGCSA-N 1 1 345.407 1.476 20 5 EDBDMO C[N@H+](Cc1cc(F)cc(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444711757 447125456 /nfs/dbraw/zinc/12/54/56/447125456.db2.gz XJVZNZPKGZRBKN-CQSZACIVSA-N 1 1 326.303 1.562 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](c2nc[nH]n2)C1 ZINC000425550294 447225892 /nfs/dbraw/zinc/22/58/92/447225892.db2.gz OYHVJSFBFHBTEY-QWRGUYRKSA-N 1 1 330.348 1.529 20 5 EDBDMO CC(C)C[N@H+]1CCO[C@H](CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000447684810 447288583 /nfs/dbraw/zinc/28/85/83/447288583.db2.gz DYJVGNAEQVQHAX-CYBMUJFWSA-N 1 1 333.392 1.662 20 5 EDBDMO 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447716968 /nfs/dbraw/zinc/71/69/68/447716968.db2.gz UVBJNPIJLWKQLG-SWLSCSKDSA-N 1 1 342.417 1.461 20 5 EDBDMO Cc1nn(CCC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000523285021 447877670 /nfs/dbraw/zinc/87/76/70/447877670.db2.gz RDFKMXQOGFBCMN-AWEZNQCLSA-N 1 1 337.424 1.645 20 5 EDBDMO CNc1nccc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000570104890 447947799 /nfs/dbraw/zinc/94/77/99/447947799.db2.gz RCBMJLHHSSJNGA-ZDUSSCGKSA-N 1 1 349.435 2.129 20 5 EDBDMO CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H]1CCC[N@@H+](C)C1 ZINC000525008946 447966247 /nfs/dbraw/zinc/96/62/47/447966247.db2.gz QRDFQLOFMABBLC-LLVKDONJSA-N 1 1 335.360 1.532 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1C ZINC000532195761 448214945 /nfs/dbraw/zinc/21/49/45/448214945.db2.gz XWTXQPYGTXYLNP-LLVKDONJSA-N 1 1 341.433 1.832 20 5 EDBDMO C[N@H+](C[C@H](O)CNCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000572150325 448302569 /nfs/dbraw/zinc/30/25/69/448302569.db2.gz UJRDNRZMCLYQBK-CQSZACIVSA-N 1 1 327.812 1.835 20 5 EDBDMO C[N@@H+](C[C@H](O)CNCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000572150325 448302572 /nfs/dbraw/zinc/30/25/72/448302572.db2.gz UJRDNRZMCLYQBK-CQSZACIVSA-N 1 1 327.812 1.835 20 5 EDBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000577645140 448350209 /nfs/dbraw/zinc/35/02/09/448350209.db2.gz CXWURHSSJFJVMB-UHFFFAOYSA-N 1 1 331.376 1.958 20 5 EDBDMO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000577645140 448350217 /nfs/dbraw/zinc/35/02/17/448350217.db2.gz CXWURHSSJFJVMB-UHFFFAOYSA-N 1 1 331.376 1.958 20 5 EDBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000577645140 448350222 /nfs/dbraw/zinc/35/02/22/448350222.db2.gz CXWURHSSJFJVMB-UHFFFAOYSA-N 1 1 331.376 1.958 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H](O)CC12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591480107 448376628 /nfs/dbraw/zinc/37/66/28/448376628.db2.gz AKYKFUBPJFXDPD-OAHLLOKOSA-N 1 1 345.399 1.863 20 5 EDBDMO O=C(C[N@@H+]1CC[C@@H](O)CC12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591480107 448376632 /nfs/dbraw/zinc/37/66/32/448376632.db2.gz AKYKFUBPJFXDPD-OAHLLOKOSA-N 1 1 345.399 1.863 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000591734002 448476643 /nfs/dbraw/zinc/47/66/43/448476643.db2.gz UHSWPXXFQVXFDX-RHSMWYFYSA-N 1 1 349.431 1.941 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000591734002 448476646 /nfs/dbraw/zinc/47/66/46/448476646.db2.gz UHSWPXXFQVXFDX-RHSMWYFYSA-N 1 1 349.431 1.941 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000573111237 448546058 /nfs/dbraw/zinc/54/60/58/448546058.db2.gz OQFZBWLETQIAKG-KFWWJZLASA-N 1 1 335.404 1.551 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000573111237 448546062 /nfs/dbraw/zinc/54/60/62/448546062.db2.gz OQFZBWLETQIAKG-KFWWJZLASA-N 1 1 335.404 1.551 20 5 EDBDMO C[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CCO)c1cccc([N+](=O)[O-])c1 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ALOZSJLZIFYCLN-CQSZACIVSA-N 1 1 349.387 1.870 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c1 ZINC000593034299 449109302 /nfs/dbraw/zinc/10/93/02/449109302.db2.gz ALOZSJLZIFYCLN-CQSZACIVSA-N 1 1 349.387 1.870 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000595767114 449156221 /nfs/dbraw/zinc/15/62/21/449156221.db2.gz UIPMEGKCILHFLO-BXUZGUMPSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)CCO ZINC000593107493 449138213 /nfs/dbraw/zinc/13/82/13/449138213.db2.gz KNAKDYVDKPDVPA-LLVKDONJSA-N 1 1 325.365 1.635 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595739938 449140971 /nfs/dbraw/zinc/14/09/71/449140971.db2.gz LMOFJRYZSRWNAY-TZMCWYRMSA-N 1 1 346.387 1.442 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595739938 449140976 /nfs/dbraw/zinc/14/09/76/449140976.db2.gz LMOFJRYZSRWNAY-TZMCWYRMSA-N 1 1 346.387 1.442 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595743948 449142558 /nfs/dbraw/zinc/14/25/58/449142558.db2.gz SZQYXGVLTDIRJT-LALPHHSUSA-N 1 1 346.387 1.522 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595743948 449142560 /nfs/dbraw/zinc/14/25/60/449142560.db2.gz SZQYXGVLTDIRJT-LALPHHSUSA-N 1 1 346.387 1.522 20 5 EDBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000590388386 449144115 /nfs/dbraw/zinc/14/41/15/449144115.db2.gz MIRMXYSQLNWQHT-ZDUSSCGKSA-N 1 1 333.388 1.920 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000590401464 449149156 /nfs/dbraw/zinc/14/91/56/449149156.db2.gz KQSULCAKHOECBP-WDEREUQCSA-N 1 1 325.390 1.592 20 5 EDBDMO CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CC[N@@H+](CC)C1 ZINC000598039073 449208635 /nfs/dbraw/zinc/20/86/35/449208635.db2.gz IFSVSWFRNZWTRT-LBPRGKRZSA-N 1 1 335.360 1.880 20 5 EDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600105735 449190886 /nfs/dbraw/zinc/19/08/86/449190886.db2.gz UZGWOLWLUGLAJG-UHFFFAOYSA-N 1 1 325.390 1.593 20 5 EDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H](OCCO)C1)OCCO2 ZINC000611271227 449245757 /nfs/dbraw/zinc/24/57/57/449245757.db2.gz JVNAXECPBNUTNT-CYBMUJFWSA-N 1 1 338.360 1.339 20 5 EDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H](OCCO)C1)OCCO2 ZINC000611271227 449245761 /nfs/dbraw/zinc/24/57/61/449245761.db2.gz JVNAXECPBNUTNT-CYBMUJFWSA-N 1 1 338.360 1.339 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000602071719 449322067 /nfs/dbraw/zinc/32/20/67/449322067.db2.gz FAUVZKVWEQRVDI-UKRRQHHQSA-N 1 1 335.360 1.083 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000598343406 449357952 /nfs/dbraw/zinc/35/79/52/449357952.db2.gz UJTXBZOVFNAJRH-LBPRGKRZSA-N 1 1 344.375 1.390 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000598342908 449358022 /nfs/dbraw/zinc/35/80/22/449358022.db2.gz OSKUMDUUTUVYIG-AWEZNQCLSA-N 1 1 343.387 1.995 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000598343766 449358191 /nfs/dbraw/zinc/35/81/91/449358191.db2.gz XFAAJZZPVCIQPP-NSHDSACASA-N 1 1 335.360 1.580 20 5 EDBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000598507385 449431934 /nfs/dbraw/zinc/43/19/34/449431934.db2.gz ACJMWDVBXIJFQH-CQSZACIVSA-N 1 1 326.356 1.994 20 5 EDBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000598507385 449431942 /nfs/dbraw/zinc/43/19/42/449431942.db2.gz ACJMWDVBXIJFQH-CQSZACIVSA-N 1 1 326.356 1.994 20 5 EDBDMO C[C@@H]1C[C@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000596155398 449387948 /nfs/dbraw/zinc/38/79/48/449387948.db2.gz JSNSUDUSVQCAPS-KOLCDFICSA-N 1 1 340.405 1.279 20 5 EDBDMO Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c([N+](=O)[O-])s1 ZINC000596167639 449393132 /nfs/dbraw/zinc/39/31/32/449393132.db2.gz FSSIVSNGAVIQBO-GFCCVEGCSA-N 1 1 338.433 1.708 20 5 EDBDMO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000600662994 449479590 /nfs/dbraw/zinc/47/95/90/449479590.db2.gz ZFSAKVOOZXFAGP-FRRDWIJNSA-N 1 1 337.376 1.902 20 5 EDBDMO O=[N+]([O-])c1c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)nc2sccn21 ZINC000596539237 449545850 /nfs/dbraw/zinc/54/58/50/449545850.db2.gz NFQAIJSSELLUIP-LLVKDONJSA-N 1 1 337.405 1.339 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](C(F)F)C2CCCCC2)c1 ZINC000598651062 449519291 /nfs/dbraw/zinc/51/92/91/449519291.db2.gz VYGDASBWDDDSAX-OLZOCXBDSA-N 1 1 332.351 1.956 20 5 EDBDMO C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1CO ZINC000598651741 449521346 /nfs/dbraw/zinc/52/13/46/449521346.db2.gz VLGCKNIPSRJUGS-GXTWGEPZSA-N 1 1 333.388 1.434 20 5 EDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1CO ZINC000598651741 449521351 /nfs/dbraw/zinc/52/13/51/449521351.db2.gz VLGCKNIPSRJUGS-GXTWGEPZSA-N 1 1 333.388 1.434 20 5 EDBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598780005 449597813 /nfs/dbraw/zinc/59/78/13/449597813.db2.gz NBYZJNKWHPACJJ-CYBMUJFWSA-N 1 1 342.355 1.700 20 5 EDBDMO C[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000594748178 449664179 /nfs/dbraw/zinc/66/41/79/449664179.db2.gz KVBZFWBIFFWWPH-RYUDHWBXSA-N 1 1 342.421 1.531 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[NH+](CCCF)CC2)c1[N+](=O)[O-] ZINC000599093267 449727706 /nfs/dbraw/zinc/72/77/06/449727706.db2.gz ODUBIJYGTWDOMB-UHFFFAOYSA-N 1 1 340.355 1.648 20 5 EDBDMO Cn1cc(CN2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602656873 449734169 /nfs/dbraw/zinc/73/41/69/449734169.db2.gz ZJJISNFXEBAAIQ-MRXNPFEDSA-N 1 1 329.404 1.687 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000601244049 449770902 /nfs/dbraw/zinc/77/09/02/449770902.db2.gz KYXNMKKLIUSUKS-GHMZBOCLSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000601244049 449770905 /nfs/dbraw/zinc/77/09/05/449770905.db2.gz KYXNMKKLIUSUKS-GHMZBOCLSA-N 1 1 325.340 1.261 20 5 EDBDMO Cc1c(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000595072178 449855320 /nfs/dbraw/zinc/85/53/20/449855320.db2.gz HASYKKVCNZPRGE-GFCCVEGCSA-N 1 1 348.403 1.831 20 5 EDBDMO Cc1c(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000595072179 449855649 /nfs/dbraw/zinc/85/56/49/449855649.db2.gz HASYKKVCNZPRGE-LBPRGKRZSA-N 1 1 348.403 1.831 20 5 EDBDMO CC1(C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614894873 449863887 /nfs/dbraw/zinc/86/38/87/449863887.db2.gz LGEQTMYWRAFMIR-UHFFFAOYSA-N 1 1 341.795 1.777 20 5 EDBDMO CC1(C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614894873 449863890 /nfs/dbraw/zinc/86/38/90/449863890.db2.gz LGEQTMYWRAFMIR-UHFFFAOYSA-N 1 1 341.795 1.777 20 5 EDBDMO CNc1ccc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614894867 449864747 /nfs/dbraw/zinc/86/47/47/449864747.db2.gz KWTQFPQDHZRSRU-UHFFFAOYSA-N 1 1 336.392 1.165 20 5 EDBDMO CNc1ccc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614894867 449864753 /nfs/dbraw/zinc/86/47/53/449864753.db2.gz KWTQFPQDHZRSRU-UHFFFAOYSA-N 1 1 336.392 1.165 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601357089 449870682 /nfs/dbraw/zinc/87/06/82/449870682.db2.gz LFVFTXCYMKFPCK-SCZZXKLOSA-N 1 1 333.435 1.726 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOC3CCOCC3)C2)nc1 ZINC000599326571 449894578 /nfs/dbraw/zinc/89/45/78/449894578.db2.gz ZNXZDNAFXQTZTO-CYBMUJFWSA-N 1 1 336.392 1.672 20 5 EDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000602961052 449962384 /nfs/dbraw/zinc/96/23/84/449962384.db2.gz TVSGTADHBXCYSL-MRXNPFEDSA-N 1 1 333.392 1.670 20 5 EDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000609268854 449996306 /nfs/dbraw/zinc/99/63/06/449996306.db2.gz GPQHSPOLWKGWSV-GFCCVEGCSA-N 1 1 337.376 1.444 20 5 EDBDMO Cc1nn(CCC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000609382727 450021142 /nfs/dbraw/zinc/02/11/42/450021142.db2.gz CZTXXEZNUWEADD-AWEZNQCLSA-N 1 1 335.408 1.399 20 5 EDBDMO COc1cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000603088549 450058061 /nfs/dbraw/zinc/05/80/61/450058061.db2.gz NLILTWVYQVYXLN-XPTSAGLGSA-N 1 1 330.287 1.771 20 5 EDBDMO COc1cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000603088549 450058067 /nfs/dbraw/zinc/05/80/67/450058067.db2.gz NLILTWVYQVYXLN-XPTSAGLGSA-N 1 1 330.287 1.771 20 5 EDBDMO Cc1noc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000595391360 450105387 /nfs/dbraw/zinc/10/53/87/450105387.db2.gz IUWIXSJYFWNEEY-UHFFFAOYSA-N 1 1 325.413 1.349 20 5 EDBDMO Cc1noc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000595391360 450105389 /nfs/dbraw/zinc/10/53/89/450105389.db2.gz IUWIXSJYFWNEEY-UHFFFAOYSA-N 1 1 325.413 1.349 20 5 EDBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599693948 450157240 /nfs/dbraw/zinc/15/72/40/450157240.db2.gz PXNRUSNGQWMJSD-ZDUSSCGKSA-N 1 1 327.406 1.356 20 5 EDBDMO O=[N+]([O-])c1ccc(O)cc1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000603227985 450158145 /nfs/dbraw/zinc/15/81/45/450158145.db2.gz XVVHMBXKSBSQIW-UHFFFAOYSA-N 1 1 331.376 1.969 20 5 EDBDMO CC(C)[N@@H+](C)C[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595461894 450158677 /nfs/dbraw/zinc/15/86/77/450158677.db2.gz QKRYGRDRLBMPJW-AWEZNQCLSA-N 1 1 325.413 1.129 20 5 EDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599702475 450164074 /nfs/dbraw/zinc/16/40/74/450164074.db2.gz QCVWVVIMGPLPQO-JTQLQIEISA-N 1 1 328.756 1.436 20 5 EDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C2 ZINC000597712984 450215976 /nfs/dbraw/zinc/21/59/76/450215976.db2.gz AROQNQSTWYMSAS-MRXNPFEDSA-N 1 1 336.367 1.874 20 5 EDBDMO COc1cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])cc1F ZINC000595605806 450258145 /nfs/dbraw/zinc/25/81/45/450258145.db2.gz GZPWEUYDNGWWNV-LLVKDONJSA-N 1 1 335.339 1.856 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])cc1F ZINC000595605806 450258149 /nfs/dbraw/zinc/25/81/49/450258149.db2.gz GZPWEUYDNGWWNV-LLVKDONJSA-N 1 1 335.339 1.856 20 5 EDBDMO COC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000351611589 536449317 /nfs/dbraw/zinc/44/93/17/536449317.db2.gz RMJQDSPAHJORCE-NHYWBVRUSA-N 1 1 337.376 1.559 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189679610 527526974 /nfs/dbraw/zinc/52/69/74/527526974.db2.gz PMZFOJWJPBVEFN-CMPYXILNSA-N 1 1 333.388 1.523 20 5 EDBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000183936546 528547740 /nfs/dbraw/zinc/54/77/40/528547740.db2.gz SFDLNDBJZHKWBF-UHFFFAOYSA-N 1 1 337.420 1.936 20 5 EDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346202180 536001807 /nfs/dbraw/zinc/00/18/07/536001807.db2.gz SXKRSJLVXUEMTF-NQBHXWOUSA-N 1 1 335.408 1.683 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346202180 536001811 /nfs/dbraw/zinc/00/18/11/536001811.db2.gz SXKRSJLVXUEMTF-NQBHXWOUSA-N 1 1 335.408 1.683 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346202180 536001819 /nfs/dbraw/zinc/00/18/19/536001819.db2.gz SXKRSJLVXUEMTF-NQBHXWOUSA-N 1 1 335.408 1.683 20 5 EDBDMO C[N@H+](C[C@@H]1CCCO1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000738064729 578500116 /nfs/dbraw/zinc/50/01/16/578500116.db2.gz DRMJEEIYKBCTAL-AWEZNQCLSA-N 1 1 348.359 1.432 20 5 EDBDMO C[N@@H+](C[C@@H]1CCCO1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000738064729 578500117 /nfs/dbraw/zinc/50/01/17/578500117.db2.gz DRMJEEIYKBCTAL-AWEZNQCLSA-N 1 1 348.359 1.432 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCCO)CC2)c(OC(F)F)c1 ZINC000760508668 580032494 /nfs/dbraw/zinc/03/24/94/580032494.db2.gz FJABHVMNIOPSAG-UHFFFAOYSA-N 1 1 331.319 1.701 20 5 EDBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736292178 578974501 /nfs/dbraw/zinc/97/45/01/578974501.db2.gz 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231148197 /nfs/dbraw/zinc/14/81/97/231148197.db2.gz KRJUALQQENELQJ-ZDUSSCGKSA-N 1 1 334.376 1.093 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000175060745 231378127 /nfs/dbraw/zinc/37/81/27/231378127.db2.gz FQXZZOVLPYQKPD-CABCVRRESA-N 1 1 349.435 1.964 20 5 EDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000412695187 304027846 /nfs/dbraw/zinc/02/78/46/304027846.db2.gz IWLLACZCXCTUCB-LBPRGKRZSA-N 1 1 329.360 1.664 20 5 EDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000412695187 304027847 /nfs/dbraw/zinc/02/78/47/304027847.db2.gz IWLLACZCXCTUCB-LBPRGKRZSA-N 1 1 329.360 1.664 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184408277 235391251 /nfs/dbraw/zinc/39/12/51/235391251.db2.gz JFNLDCKBUNVKOR-AWEZNQCLSA-N 1 1 334.420 1.659 20 5 EDBDMO Cc1nn(C)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000098098769 138297765 /nfs/dbraw/zinc/29/77/65/138297765.db2.gz PYDUHROKRUFEQT-GFCCVEGCSA-N 1 1 347.375 1.797 20 5 EDBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186886359 236054547 /nfs/dbraw/zinc/05/45/47/236054547.db2.gz SRLGLZQEHRQVAQ-UHFFFAOYSA-N 1 1 342.355 1.484 20 5 EDBDMO CS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089547 216006404 /nfs/dbraw/zinc/00/64/04/216006404.db2.gz GNCIGXNOTGYSAG-LBPRGKRZSA-N 1 1 339.417 1.673 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)c1C ZINC000104748524 204118483 /nfs/dbraw/zinc/11/84/83/204118483.db2.gz LLAFUMOGCUAADP-CYBMUJFWSA-N 1 1 341.433 1.784 20 5 EDBDMO C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000105090239 204131872 /nfs/dbraw/zinc/13/18/72/204131872.db2.gz YEDDITJXERFTMG-LBPRGKRZSA-N 1 1 335.408 1.789 20 5 EDBDMO CNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000111265285 204345548 /nfs/dbraw/zinc/34/55/48/204345548.db2.gz OQLCOZQRKGQCIO-CYBMUJFWSA-N 1 1 348.403 1.690 20 5 EDBDMO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OC ZINC000245436951 139074671 /nfs/dbraw/zinc/07/46/71/139074671.db2.gz DNTPOJWIHDAVBS-NEPJUHHUSA-N 1 1 349.387 1.921 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245538502 139078426 /nfs/dbraw/zinc/07/84/26/139078426.db2.gz ZDTMIZHSUJPTKY-CMPLNLGQSA-N 1 1 335.360 1.736 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000246110918 139095426 /nfs/dbraw/zinc/09/54/26/139095426.db2.gz JTIIUFGRXTZJRM-MGPQQGTHSA-N 1 1 326.422 1.512 20 5 EDBDMO C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000161973826 206378328 /nfs/dbraw/zinc/37/83/28/206378328.db2.gz IJRVIVJSLTZECM-UHFFFAOYSA-N 1 1 340.767 1.351 20 5 EDBDMO Cc1nn(CCC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000247563777 139152394 /nfs/dbraw/zinc/15/23/94/139152394.db2.gz ZUAURBXINQXZSC-FZMZJTMJSA-N 1 1 337.424 1.739 20 5 EDBDMO CCCO[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247531741 139151411 /nfs/dbraw/zinc/15/14/11/139151411.db2.gz OGSBJRJJFZEBQC-HUUCEWRRSA-N 1 1 326.397 1.433 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000249392807 139192500 /nfs/dbraw/zinc/19/25/00/139192500.db2.gz AGWRGTMYQHXMDD-RYUDHWBXSA-N 1 1 346.387 1.603 20 5 EDBDMO NC(=O)C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000175233741 207107240 /nfs/dbraw/zinc/10/72/40/207107240.db2.gz OJNPKVVKHABGRW-LBPRGKRZSA-N 1 1 334.376 1.511 20 5 EDBDMO CC(C)(C)OC(=O)N1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176214549 207201985 /nfs/dbraw/zinc/20/19/85/207201985.db2.gz VCNSVMZTVKHXHR-UHFFFAOYSA-N 1 1 339.396 1.734 20 5 EDBDMO CC(C)(C)OC(=O)N1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176214549 207201989 /nfs/dbraw/zinc/20/19/89/207201989.db2.gz VCNSVMZTVKHXHR-UHFFFAOYSA-N 1 1 339.396 1.734 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177222557 207308076 /nfs/dbraw/zinc/30/80/76/207308076.db2.gz GINGQDFCIWZAPI-STQMWFEESA-N 1 1 332.404 1.772 20 5 EDBDMO C[N@@H+](CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000263693935 139353430 /nfs/dbraw/zinc/35/34/30/139353430.db2.gz PJLRKRYGYSSCKN-UHFFFAOYSA-N 1 1 333.797 1.621 20 5 EDBDMO CC(C)[N@@H+]1CC[C@@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000450953040 254705022 /nfs/dbraw/zinc/70/50/22/254705022.db2.gz WMFNSJLSYQUVSR-GFCCVEGCSA-N 1 1 341.433 1.917 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000450953040 254705023 /nfs/dbraw/zinc/70/50/23/254705023.db2.gz WMFNSJLSYQUVSR-GFCCVEGCSA-N 1 1 341.433 1.917 20 5 EDBDMO CNc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000570332462 306537822 /nfs/dbraw/zinc/53/78/22/306537822.db2.gz KQUMMYVMYSKBJY-AWEZNQCLSA-N 1 1 344.375 1.157 20 5 EDBDMO COc1cc(N2CC[NH+](CC(C)(C)O)CC2)c(F)cc1[N+](=O)[O-] ZINC000119565036 221349424 /nfs/dbraw/zinc/34/94/24/221349424.db2.gz RQRLXLHIQMLBGN-UHFFFAOYSA-N 1 1 327.356 1.635 20 5 EDBDMO COc1ccc(CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000264255530 139390577 /nfs/dbraw/zinc/39/05/77/139390577.db2.gz CSEFAKHRICBOPA-AWEZNQCLSA-N 1 1 348.403 1.983 20 5 EDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347379967 533383058 /nfs/dbraw/zinc/38/30/58/533383058.db2.gz RQFLBFRGQSSKNE-LDCOFTPGSA-N 1 1 339.417 1.751 20 5 EDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347379967 533383064 /nfs/dbraw/zinc/38/30/64/533383064.db2.gz RQFLBFRGQSSKNE-LDCOFTPGSA-N 1 1 339.417 1.751 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000184381166 533583448 /nfs/dbraw/zinc/58/34/48/533583448.db2.gz JFSQRJUKVOEBBL-HNNXBMFYSA-N 1 1 348.447 1.670 20 5 EDBDMO COC(=O)c1ccc2c(c1)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000271328880 140279347 /nfs/dbraw/zinc/27/93/47/140279347.db2.gz LNCSKUUBLHPLGN-UHFFFAOYSA-N 1 1 330.344 1.636 20 5 EDBDMO COC(=O)c1ccc2c(c1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000271328880 140279349 /nfs/dbraw/zinc/27/93/49/140279349.db2.gz LNCSKUUBLHPLGN-UHFFFAOYSA-N 1 1 330.344 1.636 20 5 EDBDMO COc1ccc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416298272 304305287 /nfs/dbraw/zinc/30/52/87/304305287.db2.gz QLNQGQYGKIIIDP-VXGBXAGGSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416298272 304305289 /nfs/dbraw/zinc/30/52/89/304305289.db2.gz QLNQGQYGKIIIDP-VXGBXAGGSA-N 1 1 337.376 1.131 20 5 EDBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000271929872 140374544 /nfs/dbraw/zinc/37/45/44/140374544.db2.gz VBCPOEVGKJOKGP-GFCCVEGCSA-N 1 1 346.387 1.091 20 5 EDBDMO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416409154 304316367 /nfs/dbraw/zinc/31/63/67/304316367.db2.gz ALKQOSALFDJQFV-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO CC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416409154 304316369 /nfs/dbraw/zinc/31/63/69/304316369.db2.gz ALKQOSALFDJQFV-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344738720 143005407 /nfs/dbraw/zinc/00/54/07/143005407.db2.gz ZZQDGYXLAGPRQQ-ZDUSSCGKSA-N 1 1 337.424 1.726 20 5 EDBDMO C[C@@H]1[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC[N@H+]1C ZINC000344989098 143035847 /nfs/dbraw/zinc/03/58/47/143035847.db2.gz VULPHMQLJRGZNF-MLGOLLRUSA-N 1 1 348.403 1.850 20 5 EDBDMO CO[C@@H]1C[C@H](CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)[N@@H+](C)C1 ZINC000345144376 143056908 /nfs/dbraw/zinc/05/69/08/143056908.db2.gz ZDNVGKIVLFQANK-CHWSQXEVSA-N 1 1 334.376 1.887 20 5 EDBDMO C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000347185826 143292411 /nfs/dbraw/zinc/29/24/11/143292411.db2.gz YFMJCOPWMAWLBG-BZNIZROVSA-N 1 1 346.387 1.603 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000347722314 143354571 /nfs/dbraw/zinc/35/45/71/143354571.db2.gz PHMWTWOUKFHGJI-GFCCVEGCSA-N 1 1 336.392 1.259 20 5 EDBDMO Cc1c(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000416742738 304346690 /nfs/dbraw/zinc/34/66/90/304346690.db2.gz YTGKMYBVQVYEEH-NWDGAFQWSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1c(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000416742738 304346692 /nfs/dbraw/zinc/34/66/92/304346692.db2.gz YTGKMYBVQVYEEH-NWDGAFQWSA-N 1 1 336.392 1.822 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352783753 149164511 /nfs/dbraw/zinc/16/45/11/149164511.db2.gz LGBFEJCSELHDKL-LBPRGKRZSA-N 1 1 343.405 1.117 20 5 EDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352783753 149164513 /nfs/dbraw/zinc/16/45/13/149164513.db2.gz LGBFEJCSELHDKL-LBPRGKRZSA-N 1 1 343.405 1.117 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000357549822 151064277 /nfs/dbraw/zinc/06/42/77/151064277.db2.gz 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CC[NH+]1CCC(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000089619878 441565141 /nfs/dbraw/zinc/56/51/41/441565141.db2.gz QMRZHYQHHCKFQJ-UHFFFAOYSA-N 1 1 327.406 1.895 20 5 EDBDMO O=[N+]([O-])c1c(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nc2sccn21 ZINC000090145924 441622817 /nfs/dbraw/zinc/62/28/17/441622817.db2.gz UVKCZOYVMDIGHT-GHMZBOCLSA-N 1 1 337.405 1.969 20 5 EDBDMO O=[N+]([O-])c1c(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nc2sccn21 ZINC000090145924 441622819 /nfs/dbraw/zinc/62/28/19/441622819.db2.gz UVKCZOYVMDIGHT-GHMZBOCLSA-N 1 1 337.405 1.969 20 5 EDBDMO COC(=O)[C@@H](C)C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000114062110 441632224 /nfs/dbraw/zinc/63/22/24/441632224.db2.gz OCFHXSNHLNSHMA-JTQLQIEISA-N 1 1 334.332 1.886 20 5 EDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000114062110 441632227 /nfs/dbraw/zinc/63/22/27/441632227.db2.gz OCFHXSNHLNSHMA-JTQLQIEISA-N 1 1 334.332 1.886 20 5 EDBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)CC2)c1 ZINC000158884697 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CC[C@@H](C)C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154138329 442323207 /nfs/dbraw/zinc/32/32/07/442323207.db2.gz VFARPXYYIGSGOL-CYBMUJFWSA-N 1 1 341.433 1.947 20 5 EDBDMO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000177438925 442341540 /nfs/dbraw/zinc/34/15/40/442341540.db2.gz GDUWRSGTWKWPJZ-PBHICJAKSA-N 1 1 347.371 1.585 20 5 EDBDMO COC(=O)[C@@]1(C)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000177438925 442341542 /nfs/dbraw/zinc/34/15/42/442341542.db2.gz GDUWRSGTWKWPJZ-PBHICJAKSA-N 1 1 347.371 1.585 20 5 EDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COC1CCOCC1)CC2 ZINC000131278090 442368907 /nfs/dbraw/zinc/36/89/07/442368907.db2.gz WWPHWAPHHBCKQE-MRXNPFEDSA-N 1 1 336.388 1.509 20 5 EDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COC1CCOCC1)CC2 ZINC000131278090 442368911 /nfs/dbraw/zinc/36/89/11/442368911.db2.gz WWPHWAPHHBCKQE-MRXNPFEDSA-N 1 1 336.388 1.509 20 5 EDBDMO CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000156470870 442484542 /nfs/dbraw/zinc/48/45/42/442484542.db2.gz ZBHDJDVFGXFBAL-AWEZNQCLSA-N 1 1 348.403 1.642 20 5 EDBDMO CC1(C)[C@@H]2C[N@@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]21 ZINC000172954388 442573132 /nfs/dbraw/zinc/57/31/32/442573132.db2.gz RHGQJCVQAIAELY-AOOOYVTPSA-N 1 1 333.344 1.850 20 5 EDBDMO CC1(C)[C@@H]2C[N@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]21 ZINC000172954388 442573139 /nfs/dbraw/zinc/57/31/39/442573139.db2.gz RHGQJCVQAIAELY-AOOOYVTPSA-N 1 1 333.344 1.850 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000180868925 442666143 /nfs/dbraw/zinc/66/61/43/442666143.db2.gz YFHRRZSWZXIBDE-ZDUSSCGKSA-N 1 1 349.387 1.233 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000180868925 442666144 /nfs/dbraw/zinc/66/61/44/442666144.db2.gz YFHRRZSWZXIBDE-ZDUSSCGKSA-N 1 1 349.387 1.233 20 5 EDBDMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000181813098 442717796 /nfs/dbraw/zinc/71/77/96/442717796.db2.gz QDBOLRFVKTYOMZ-VXGBXAGGSA-N 1 1 336.392 1.147 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182140921 442739121 /nfs/dbraw/zinc/73/91/21/442739121.db2.gz ZDTMIZHSUJPTKY-PWSUYJOCSA-N 1 1 335.360 1.736 20 5 EDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182585909 442791095 /nfs/dbraw/zinc/79/10/95/442791095.db2.gz FGPXWZPEOWDBLV-UHFFFAOYSA-N 1 1 346.343 1.991 20 5 EDBDMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000193822020 442793119 /nfs/dbraw/zinc/79/31/19/442793119.db2.gz LJMITWIKJKFOIG-GFCCVEGCSA-N 1 1 327.406 1.666 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000193822020 442793123 /nfs/dbraw/zinc/79/31/23/442793123.db2.gz LJMITWIKJKFOIG-GFCCVEGCSA-N 1 1 327.406 1.666 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000193620139 442760616 /nfs/dbraw/zinc/76/06/16/442760616.db2.gz SHSGIBYYINUWOU-PHIMTYICSA-N 1 1 338.795 1.680 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCOC1 ZINC000246979567 442826416 /nfs/dbraw/zinc/82/64/16/442826416.db2.gz JQFRJHGFIZMYBF-NWDGAFQWSA-N 1 1 337.376 1.899 20 5 EDBDMO COc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000194019180 442829947 /nfs/dbraw/zinc/82/99/47/442829947.db2.gz TXVAAYGFMPAIDT-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000194019180 442829950 /nfs/dbraw/zinc/82/99/50/442829950.db2.gz TXVAAYGFMPAIDT-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000268092831 442844060 /nfs/dbraw/zinc/84/40/60/442844060.db2.gz BIWKYJVUMXXTRC-IUODEOHRSA-N 1 1 332.404 1.919 20 5 EDBDMO COC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000189034974 442864201 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331.369 1.449 20 5 EDBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266150466 443035908 /nfs/dbraw/zinc/03/59/08/443035908.db2.gz FNBPHZUVRYNRTP-SNVBAGLBSA-N 1 1 331.369 1.449 20 5 EDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H](O)c2cccnc2)CC1 ZINC000296504072 318701700 /nfs/dbraw/zinc/70/17/00/318701700.db2.gz LQVSNJINDONZCI-QGZVFWFLSA-N 1 1 328.372 1.845 20 5 EDBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184221123 443002551 /nfs/dbraw/zinc/00/25/51/443002551.db2.gz IVXBDOIFKJNMAY-UHFFFAOYSA-N 1 1 348.447 1.670 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000266626946 443190912 /nfs/dbraw/zinc/19/09/12/443190912.db2.gz URMQPOQMKRDZNH-INIZCTEOSA-N 1 1 334.351 1.956 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000191076732 443235921 /nfs/dbraw/zinc/23/59/21/443235921.db2.gz QVEOTBXMJOGOMW-UHFFFAOYSA-N 1 1 339.417 1.680 20 5 EDBDMO CCc1ccc(C(=O)N2CC[NH+]([C@H](CC)CO)CC2)cc1[N+](=O)[O-] 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Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000299440019 444046996 /nfs/dbraw/zinc/04/69/96/444046996.db2.gz YEFJLFVQRHHFJR-RISCZKNCSA-N 1 1 346.387 1.441 20 5 EDBDMO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000285534856 444019462 /nfs/dbraw/zinc/01/94/62/444019462.db2.gz QDQSBWYMXADCKD-GFCCVEGCSA-N 1 1 325.369 1.344 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281851746 444023058 /nfs/dbraw/zinc/02/30/58/444023058.db2.gz NONFGZCFDLENSL-CVEARBPZSA-N 1 1 347.346 1.704 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281851746 444023061 /nfs/dbraw/zinc/02/30/61/444023061.db2.gz NONFGZCFDLENSL-CVEARBPZSA-N 1 1 347.346 1.704 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C2)C1 ZINC000293638493 444077090 /nfs/dbraw/zinc/07/70/90/444077090.db2.gz FZXDPDWMLKPHDL-OAHLLOKOSA-N 1 1 347.400 1.767 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000289130783 444059989 /nfs/dbraw/zinc/05/99/89/444059989.db2.gz RMUSZKCRUMYRJY-UHFFFAOYSA-N 1 1 329.832 1.963 20 5 EDBDMO CN(CCCN(C)c1ncc(Cl)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000289130783 444059991 /nfs/dbraw/zinc/05/99/91/444059991.db2.gz RMUSZKCRUMYRJY-UHFFFAOYSA-N 1 1 329.832 1.963 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1nnc2ccccn21 ZINC000568496425 321293955 /nfs/dbraw/zinc/29/39/55/321293955.db2.gz UTIONCNWEXSTFI-LBPRGKRZSA-N 1 1 343.343 1.167 20 5 EDBDMO C[C@H]1C[C@@H](N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000301431974 444171528 /nfs/dbraw/zinc/17/15/28/444171528.db2.gz QSTKHCKPZPJYSI-RYUDHWBXSA-N 1 1 331.376 1.522 20 5 EDBDMO CN(C)c1cc(F)c(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000294901166 444156903 /nfs/dbraw/zinc/15/69/03/444156903.db2.gz DVXUTKPNSMPWKO-UHFFFAOYSA-N 1 1 338.383 1.966 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301252403 444158347 /nfs/dbraw/zinc/15/83/47/444158347.db2.gz 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C[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1CO ZINC000305462017 444270223 /nfs/dbraw/zinc/27/02/23/444270223.db2.gz VVFHKCROMHORJB-MLGOLLRUSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1CO ZINC000305462017 444270227 /nfs/dbraw/zinc/27/02/27/444270227.db2.gz VVFHKCROMHORJB-MLGOLLRUSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000302980970 444232701 /nfs/dbraw/zinc/23/27/01/444232701.db2.gz HRUUHQUWONXNNZ-TXEJJXNPSA-N 1 1 336.392 1.793 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000304311833 444245977 /nfs/dbraw/zinc/24/59/77/444245977.db2.gz MFWTXZKTGMGKHU-GDBMZVCRSA-N 1 1 331.376 1.339 20 5 EDBDMO CCCNC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296658307 444246371 /nfs/dbraw/zinc/24/63/71/444246371.db2.gz YCROFIYUORCDMG-UHFFFAOYSA-N 1 1 336.396 1.096 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000290712359 444314045 /nfs/dbraw/zinc/31/40/45/444314045.db2.gz GUBYCZRMZNPRMU-LLVKDONJSA-N 1 1 348.403 1.695 20 5 EDBDMO NC(=O)c1ccc(CN2CCC(OCCC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000325652695 444367810 /nfs/dbraw/zinc/36/78/10/444367810.db2.gz ZXIVQUHJUQUFCB-UHFFFAOYSA-N 1 1 336.392 1.024 20 5 EDBDMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340465352 444388869 /nfs/dbraw/zinc/38/88/69/444388869.db2.gz JFPQBBWTNNLGLV-UHFFFAOYSA-N 1 1 344.371 1.685 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CCn3nncc3C2)cccc1[N+](=O)[O-] ZINC000580091185 322008908 /nfs/dbraw/zinc/00/89/08/322008908.db2.gz SKKWNVDQQOPGMJ-UHFFFAOYSA-N 1 1 330.348 1.339 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCn3nncc3C2)cccc1[N+](=O)[O-] ZINC000580091185 322008910 /nfs/dbraw/zinc/00/89/10/322008910.db2.gz SKKWNVDQQOPGMJ-UHFFFAOYSA-N 1 1 330.348 1.339 20 5 EDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000580155572 322014845 /nfs/dbraw/zinc/01/48/45/322014845.db2.gz SRAINANTCJBKAP-ZDUSSCGKSA-N 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CO[C@H]1C[C@@H](CN(C)c2ncnc3cccc([N+](=O)[O-])c32)[N@@H+](C)C1 ZINC000343884091 444645282 /nfs/dbraw/zinc/64/52/82/444645282.db2.gz CGFMRCMBZMUAPB-RYUDHWBXSA-N 1 1 331.376 1.693 20 5 EDBDMO CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000338434980 444694355 /nfs/dbraw/zinc/69/43/55/444694355.db2.gz DTWQEYCXNBKOSS-GFCCVEGCSA-N 1 1 336.392 1.170 20 5 EDBDMO C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@H]1C ZINC000338663809 444798666 /nfs/dbraw/zinc/79/86/66/444798666.db2.gz BTXVIPSHPYGGNB-OLZOCXBDSA-N 1 1 337.424 1.906 20 5 EDBDMO COc1ccc(CNC(=O)[C@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000342717789 444832175 /nfs/dbraw/zinc/83/21/75/444832175.db2.gz DGAVQTHCEQVFKY-SNVBAGLBSA-N 1 1 329.303 1.464 20 5 EDBDMO COC[C@H]1C[C@H](OC)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344359150 444917956 /nfs/dbraw/zinc/91/79/56/444917956.db2.gz FKUNABGZDOAEBP-CABCVRRESA-N 1 1 337.376 1.293 20 5 EDBDMO COC[C@H]1C[C@H](OC)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344359150 444917960 /nfs/dbraw/zinc/91/79/60/444917960.db2.gz FKUNABGZDOAEBP-CABCVRRESA-N 1 1 337.376 1.293 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000344403330 444944311 /nfs/dbraw/zinc/94/43/11/444944311.db2.gz BRXDIOGXHDICTB-RISCZKNCSA-N 1 1 333.344 1.195 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000344403330 444944315 /nfs/dbraw/zinc/94/43/15/444944315.db2.gz BRXDIOGXHDICTB-RISCZKNCSA-N 1 1 333.344 1.195 20 5 EDBDMO O=C(NCC[NH+]1CCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000337301085 445023337 /nfs/dbraw/zinc/02/33/37/445023337.db2.gz WVIKXJCRHFCFMT-UHFFFAOYSA-N 1 1 347.293 1.971 20 5 EDBDMO COCCN1C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000344623054 445092138 /nfs/dbraw/zinc/09/21/38/445092138.db2.gz SUFQPFQXOGXLEZ-HIFRSBDPSA-N 1 1 334.376 1.209 20 5 EDBDMO COCCN1C(=O)N[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000344623054 445092140 /nfs/dbraw/zinc/09/21/40/445092140.db2.gz SUFQPFQXOGXLEZ-HIFRSBDPSA-N 1 1 334.376 1.209 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000342115223 445179449 /nfs/dbraw/zinc/17/94/49/445179449.db2.gz UEAKENAMPSGSCE-GFCCVEGCSA-N 1 1 346.387 1.503 20 5 EDBDMO C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1F ZINC000330837557 445160768 /nfs/dbraw/zinc/16/07/68/445160768.db2.gz IIZMODOZKSVBDL-YPMHNXCESA-N 1 1 338.383 1.199 20 5 EDBDMO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000343528584 445239212 /nfs/dbraw/zinc/23/92/12/445239212.db2.gz ALUGBYLIMDEBFQ-MNOVXSKESA-N 1 1 345.446 1.870 20 5 EDBDMO C[C@@H]1[C@@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCC[N@H+]1C ZINC000343561618 445244431 /nfs/dbraw/zinc/24/44/31/445244431.db2.gz QHIJLJZDTIKIFY-PWSUYJOCSA-N 1 1 348.359 1.102 20 5 EDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000343562153 445244441 /nfs/dbraw/zinc/24/44/41/445244441.db2.gz YEAHLFWDOVQEOF-GFCCVEGCSA-N 1 1 349.387 1.970 20 5 EDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000343569008 445245867 /nfs/dbraw/zinc/24/58/67/445245867.db2.gz LOMFALPVCLOWBD-GFCCVEGCSA-N 1 1 335.360 1.928 20 5 EDBDMO CCC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000354679965 445337785 /nfs/dbraw/zinc/33/77/85/445337785.db2.gz WUCWSJGYIYNBBN-CQSZACIVSA-N 1 1 348.403 1.914 20 5 EDBDMO O=C1CNCCN1[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000362670389 445490497 /nfs/dbraw/zinc/49/04/97/445490497.db2.gz JZMHABWDQRRONA-QQNRWZHASA-N 1 1 344.415 1.504 20 5 EDBDMO O=C1CNCCN1[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000362670389 445490501 /nfs/dbraw/zinc/49/05/01/445490501.db2.gz JZMHABWDQRRONA-QQNRWZHASA-N 1 1 344.415 1.504 20 5 EDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCN1CCCS1(=O)=O ZINC000352562385 445538206 /nfs/dbraw/zinc/53/82/06/445538206.db2.gz KERVXISINXUWGV-UHFFFAOYSA-N 1 1 327.406 1.105 20 5 EDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCN1CCCS1(=O)=O ZINC000352562385 445538209 /nfs/dbraw/zinc/53/82/09/445538209.db2.gz KERVXISINXUWGV-UHFFFAOYSA-N 1 1 327.406 1.105 20 5 EDBDMO CC[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1C[C@H](C)O ZINC000357324750 445549483 /nfs/dbraw/zinc/54/94/83/445549483.db2.gz RQGGXXUYMDKFMH-QWHCGFSZSA-N 1 1 345.403 1.819 20 5 EDBDMO C[C@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000356076756 445606130 /nfs/dbraw/zinc/60/61/30/445606130.db2.gz JYHQMUCALMSYHS-XJKSGUPXSA-N 1 1 335.404 1.441 20 5 EDBDMO COc1cc(OCC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363035636 445655919 /nfs/dbraw/zinc/65/59/19/445655919.db2.gz RJCMBGOHDNEEDO-QWHCGFSZSA-N 1 1 349.387 1.725 20 5 EDBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000353631814 445683358 /nfs/dbraw/zinc/68/33/58/445683358.db2.gz NAEJEFFXAQWBKD-FVQBIDKESA-N 1 1 346.387 1.405 20 5 EDBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358701651 445727031 /nfs/dbraw/zinc/72/70/31/445727031.db2.gz HMYCLRYRQZQHLZ-MLGOLLRUSA-N 1 1 336.392 1.330 20 5 EDBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358701652 445727219 /nfs/dbraw/zinc/72/72/19/445727219.db2.gz HMYCLRYRQZQHLZ-WBMJQRKESA-N 1 1 336.392 1.330 20 5 EDBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000360869431 445735523 /nfs/dbraw/zinc/73/55/23/445735523.db2.gz CPQGWMUKVFCTBE-GFCCVEGCSA-N 1 1 343.387 1.886 20 5 EDBDMO COc1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000363414087 445794061 /nfs/dbraw/zinc/79/40/61/445794061.db2.gz JYECDZTVLGXQFI-RTXFEEFZSA-N 1 1 349.387 1.711 20 5 EDBDMO COc1cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000361588660 445836760 /nfs/dbraw/zinc/83/67/60/445836760.db2.gz SHPAALUQHZOVMB-ZWNOBZJWSA-N 1 1 328.340 1.714 20 5 EDBDMO COc1cc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000361588660 445836763 /nfs/dbraw/zinc/83/67/63/445836763.db2.gz SHPAALUQHZOVMB-ZWNOBZJWSA-N 1 1 328.340 1.714 20 5 EDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363556670 445857849 /nfs/dbraw/zinc/85/78/49/445857849.db2.gz CMZRRTMGMIEVNJ-KKUMJFAQSA-N 1 1 345.399 1.916 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCCCNC1=O ZINC000364114505 445896331 /nfs/dbraw/zinc/89/63/31/445896331.db2.gz LOSSBBGEWZUCDM-HNNXBMFYSA-N 1 1 348.403 1.832 20 5 EDBDMO NC(=O)c1csc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000364329145 445910725 /nfs/dbraw/zinc/91/07/25/445910725.db2.gz QGGNABTVKASHQE-LLVKDONJSA-N 1 1 335.389 1.789 20 5 EDBDMO NC(=O)c1csc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000364329145 445910726 /nfs/dbraw/zinc/91/07/26/445910726.db2.gz QGGNABTVKASHQE-LLVKDONJSA-N 1 1 335.389 1.789 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000365277595 446121921 /nfs/dbraw/zinc/12/19/21/446121921.db2.gz OLPDEAKSLOERBT-LLVKDONJSA-N 1 1 330.344 1.792 20 5 EDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000373337355 446170131 /nfs/dbraw/zinc/17/01/31/446170131.db2.gz BKITYJKLVYPNQR-LBPRGKRZSA-N 1 1 348.403 1.502 20 5 EDBDMO C[N@@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)cc1 ZINC000362143981 446234448 /nfs/dbraw/zinc/23/44/48/446234448.db2.gz YZNQBMKNTJXALY-ZBFHGGJFSA-N 1 1 347.350 1.492 20 5 EDBDMO C[N@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)cc1 ZINC000362143981 446234452 /nfs/dbraw/zinc/23/44/52/446234452.db2.gz YZNQBMKNTJXALY-ZBFHGGJFSA-N 1 1 347.350 1.492 20 5 EDBDMO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000365636252 446282351 /nfs/dbraw/zinc/28/23/51/446282351.db2.gz RJHMYOKTBUVKAC-NEPJUHHUSA-N 1 1 343.387 1.962 20 5 EDBDMO O=c1[nH]c(NC[C@H]2CC[NH2+]CC2(F)F)nc2ccc([N+](=O)[O-])cc12 ZINC000420280886 446448201 /nfs/dbraw/zinc/44/82/01/446448201.db2.gz LNYGMKYSQOEOQT-MRVPVSSYSA-N 1 1 339.302 1.900 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000411258109 446448471 /nfs/dbraw/zinc/44/84/71/446448471.db2.gz VPUBESDJVDNFEF-HNNXBMFYSA-N 1 1 348.403 1.640 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000411258109 446448479 /nfs/dbraw/zinc/44/84/79/446448479.db2.gz VPUBESDJVDNFEF-HNNXBMFYSA-N 1 1 348.403 1.640 20 5 EDBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000374919014 446459423 /nfs/dbraw/zinc/45/94/23/446459423.db2.gz SXFNPLOAQLGDQD-TZMCWYRMSA-N 1 1 341.433 1.978 20 5 EDBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000374919014 446459429 /nfs/dbraw/zinc/45/94/29/446459429.db2.gz SXFNPLOAQLGDQD-TZMCWYRMSA-N 1 1 341.433 1.978 20 5 EDBDMO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000432496404 446475131 /nfs/dbraw/zinc/47/51/31/446475131.db2.gz VPMSCXNSJXDKSP-LBPRGKRZSA-N 1 1 336.392 1.056 20 5 EDBDMO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000423517017 446559297 /nfs/dbraw/zinc/55/92/97/446559297.db2.gz UIPULBICURQTHQ-VXGBXAGGSA-N 1 1 333.323 1.333 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc([N+](=O)[O-])c1 ZINC000423677313 446636438 /nfs/dbraw/zinc/63/64/38/446636438.db2.gz HCRQHRHPPQQHCB-OAHLLOKOSA-N 1 1 339.323 1.155 20 5 EDBDMO Cc1cc(N2CCC[C@@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])C2)nc(C)[nH+]1 ZINC000371224859 446702266 /nfs/dbraw/zinc/70/22/66/446702266.db2.gz CLPYVONCJAILGW-LLVKDONJSA-N 1 1 345.363 1.124 20 5 EDBDMO COc1cc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c([N+](=O)[O-])cc1OC ZINC000368230262 446724737 /nfs/dbraw/zinc/72/47/37/446724737.db2.gz WEUGTCSOVAFTQP-NSHDSACASA-N 1 1 332.360 1.982 20 5 EDBDMO Cc1c(NC(=O)C(=O)NCCCC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000454087845 446773554 /nfs/dbraw/zinc/77/35/54/446773554.db2.gz FWTIUMJITWFUGP-UHFFFAOYSA-N 1 1 348.403 1.832 20 5 EDBDMO Cc1nnc([C@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412027001 446790348 /nfs/dbraw/zinc/79/03/48/446790348.db2.gz LBNBKSALWULPKR-GXTWGEPZSA-N 1 1 347.375 1.251 20 5 EDBDMO Cc1n[nH]c([C@H]2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000412027001 446790358 /nfs/dbraw/zinc/79/03/58/446790358.db2.gz LBNBKSALWULPKR-GXTWGEPZSA-N 1 1 347.375 1.251 20 5 EDBDMO Cc1n[nH]c([C@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000412027001 446790366 /nfs/dbraw/zinc/79/03/66/446790366.db2.gz LBNBKSALWULPKR-GXTWGEPZSA-N 1 1 347.375 1.251 20 5 EDBDMO Cc1nc([C@H]2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412027001 446790374 /nfs/dbraw/zinc/79/03/74/446790374.db2.gz LBNBKSALWULPKR-GXTWGEPZSA-N 1 1 347.375 1.251 20 5 EDBDMO Cc1nc([C@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412027001 446790385 /nfs/dbraw/zinc/79/03/85/446790385.db2.gz LBNBKSALWULPKR-GXTWGEPZSA-N 1 1 347.375 1.251 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412031426 446793229 /nfs/dbraw/zinc/79/32/29/446793229.db2.gz ARGGLCHLQVWWAC-MJBXVCDLSA-N 1 1 333.388 1.935 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412031426 446793233 /nfs/dbraw/zinc/79/32/33/446793233.db2.gz ARGGLCHLQVWWAC-MJBXVCDLSA-N 1 1 333.388 1.935 20 5 EDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619253340 450435490 /nfs/dbraw/zinc/43/54/90/450435490.db2.gz VBPPCFIBIMOLJP-OCCSQVGLSA-N 1 1 336.367 1.651 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412048016 446811237 /nfs/dbraw/zinc/81/12/37/446811237.db2.gz PRAIZPCCRAUMBF-SCRDCRAPSA-N 1 1 349.387 1.635 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412048016 446811244 /nfs/dbraw/zinc/81/12/44/446811244.db2.gz PRAIZPCCRAUMBF-SCRDCRAPSA-N 1 1 349.387 1.635 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000371507877 446902657 /nfs/dbraw/zinc/90/26/57/446902657.db2.gz DVZDFKJRCPBFQS-SWLSCSKDSA-N 1 1 346.387 1.394 20 5 EDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000420948023 446919886 /nfs/dbraw/zinc/91/98/86/446919886.db2.gz ULZHOSBJUHOALF-CHWSQXEVSA-N 1 1 349.387 1.843 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@](O)(Cc3ccc(F)cc3)C2)n1 ZINC000420973773 446946046 /nfs/dbraw/zinc/94/60/46/446946046.db2.gz CTOJMIGGSOLYGE-MRXNPFEDSA-N 1 1 334.351 1.610 20 5 EDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CCOCC2)C1=O ZINC000375662677 446958484 /nfs/dbraw/zinc/95/84/84/446958484.db2.gz ZTUSXXQFGVLMIC-KRWDZBQOSA-N 1 1 347.415 1.849 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@H]21 ZINC000368595586 446968178 /nfs/dbraw/zinc/96/81/78/446968178.db2.gz SWSIEKVZBUOEKH-XHDPSFHLSA-N 1 1 337.351 1.665 20 5 EDBDMO O=C(CC[N@H+]1CC[C@@H](n2cncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000372466731 447067789 /nfs/dbraw/zinc/06/77/89/447067789.db2.gz WYXPFGUTJDQVPJ-GFCCVEGCSA-N 1 1 330.348 1.462 20 5 EDBDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000368673474 447023690 /nfs/dbraw/zinc/02/36/90/447023690.db2.gz TYLLKLOWKJRNOC-ZDUSSCGKSA-N 1 1 346.391 1.975 20 5 EDBDMO O=C1NCCN1[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000368804035 447118728 /nfs/dbraw/zinc/11/87/28/447118728.db2.gz ZBPNUBAZUAPVHV-AWEZNQCLSA-N 1 1 334.376 1.463 20 5 EDBDMO COc1cc(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000444675540 447118771 /nfs/dbraw/zinc/11/87/71/447118771.db2.gz RNXNZXHPESCKQB-ZDUSSCGKSA-N 1 1 337.420 1.880 20 5 EDBDMO CN1CCC[C@@]2(CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1=O ZINC000372493753 447086960 /nfs/dbraw/zinc/08/69/60/447086960.db2.gz IJUQLAPPRKQUMW-RDJZCZTQSA-N 1 1 333.388 1.573 20 5 EDBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000372542849 447126034 /nfs/dbraw/zinc/12/60/34/447126034.db2.gz CHZLSEVXWFLDSS-UHFFFAOYSA-N 1 1 339.367 1.653 20 5 EDBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455842797 447240116 /nfs/dbraw/zinc/24/01/16/447240116.db2.gz JZBWQCFDKZLIPR-NEPJUHHUSA-N 1 1 333.392 1.730 20 5 EDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000377701794 447304239 /nfs/dbraw/zinc/30/42/39/447304239.db2.gz KZSUJABMQSNUKA-CZUORRHYSA-N 1 1 344.419 2.527 20 5 EDBDMO COC(=O)Cc1ccc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000450319249 447453606 /nfs/dbraw/zinc/45/36/06/447453606.db2.gz PNJUCCBVQXXMHN-AWEZNQCLSA-N 1 1 349.387 1.585 20 5 EDBDMO COC(=O)Cc1ccc(NC[C@H]2C[N@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000450319249 447453610 /nfs/dbraw/zinc/45/36/10/447453610.db2.gz PNJUCCBVQXXMHN-AWEZNQCLSA-N 1 1 349.387 1.585 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)C[N@@H+]1CCO ZINC000416299708 447561890 /nfs/dbraw/zinc/56/18/90/447561890.db2.gz SIZKDUYBIWQLPT-NEPJUHHUSA-N 1 1 346.387 1.603 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)C[N@H+]1CCO ZINC000416299708 447561898 /nfs/dbraw/zinc/56/18/98/447561898.db2.gz SIZKDUYBIWQLPT-NEPJUHHUSA-N 1 1 346.387 1.603 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416313177 447566910 /nfs/dbraw/zinc/56/69/10/447566910.db2.gz RHXRGAJPEQPJHR-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416313177 447566917 /nfs/dbraw/zinc/56/69/17/447566917.db2.gz RHXRGAJPEQPJHR-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000428151494 447679358 /nfs/dbraw/zinc/67/93/58/447679358.db2.gz DYWCRFNHXIRJHN-CYBMUJFWSA-N 1 1 335.404 1.397 20 5 EDBDMO C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000428151494 447679359 /nfs/dbraw/zinc/67/93/59/447679359.db2.gz DYWCRFNHXIRJHN-CYBMUJFWSA-N 1 1 335.404 1.397 20 5 EDBDMO CNc1nccc(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000569865996 447908178 /nfs/dbraw/zinc/90/81/78/447908178.db2.gz YWOUYXUPUCICKZ-SGMGOOAPSA-N 1 1 347.419 1.834 20 5 EDBDMO CN(CCC[NH+]1CCN(C)CC1)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000575863913 447915100 /nfs/dbraw/zinc/91/51/00/447915100.db2.gz NXNOONIAKNOHMN-UHFFFAOYSA-N 1 1 347.463 1.942 20 5 EDBDMO COc1ccc(CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000524312919 447924797 /nfs/dbraw/zinc/92/47/97/447924797.db2.gz QXUKGZQIGZFQCU-KGLIPLIRSA-N 1 1 333.388 1.889 20 5 EDBDMO C[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000525086516 447967048 /nfs/dbraw/zinc/96/70/48/447967048.db2.gz AIFIHLVLJVJYNO-NEPJUHHUSA-N 1 1 342.421 1.389 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000492130868 448190339 /nfs/dbraw/zinc/19/03/39/448190339.db2.gz CWRDDQBYZFIBLN-AATRIKPKSA-N 1 1 341.371 1.690 20 5 EDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000577538759 448324519 /nfs/dbraw/zinc/32/45/19/448324519.db2.gz POXQFEVECPSOCU-PHIMTYICSA-N 1 1 335.360 1.878 20 5 EDBDMO C[NH+](C)C1(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000515832302 448354748 /nfs/dbraw/zinc/35/47/48/448354748.db2.gz RDFVNDLSNREGNM-HNNXBMFYSA-N 1 1 337.420 1.799 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000584505757 448548365 /nfs/dbraw/zinc/54/83/65/448548365.db2.gz JBKSDOYEWQPZFI-LLVKDONJSA-N 1 1 341.433 1.832 20 5 EDBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000584791671 448634849 /nfs/dbraw/zinc/63/48/49/448634849.db2.gz DVIBRADBMLRVRO-ZDUSSCGKSA-N 1 1 329.360 1.570 20 5 EDBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000573891164 448736727 /nfs/dbraw/zinc/73/67/27/448736727.db2.gz BJEWHIIEOAKFND-JTQLQIEISA-N 1 1 325.340 1.814 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000579726238 448865094 /nfs/dbraw/zinc/86/50/94/448865094.db2.gz XSCSQGYGSQBAMV-PHIMTYICSA-N 1 1 341.314 1.830 20 5 EDBDMO CCC(CC)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000548082582 448980335 /nfs/dbraw/zinc/98/03/35/448980335.db2.gz UVBLDOHZECSGOP-CYBMUJFWSA-N 1 1 339.396 1.185 20 5 EDBDMO C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593092111 449131031 /nfs/dbraw/zinc/13/10/31/449131031.db2.gz MSJCGBQDHMZHHP-UONOGXRCSA-N 1 1 336.388 1.978 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593092111 449131034 /nfs/dbraw/zinc/13/10/34/449131034.db2.gz MSJCGBQDHMZHHP-UONOGXRCSA-N 1 1 336.388 1.978 20 5 EDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000593066391 449120913 /nfs/dbraw/zinc/12/09/13/449120913.db2.gz NJAQILLTMHGZFQ-VXGBXAGGSA-N 1 1 326.349 1.064 20 5 EDBDMO C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000597942997 449152581 /nfs/dbraw/zinc/15/25/81/449152581.db2.gz SFGKFNRJQXCXCE-LBPRGKRZSA-N 1 1 338.408 1.302 20 5 EDBDMO C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000597942997 449152585 /nfs/dbraw/zinc/15/25/85/449152585.db2.gz SFGKFNRJQXCXCE-LBPRGKRZSA-N 1 1 338.408 1.302 20 5 EDBDMO CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597944045 449153604 /nfs/dbraw/zinc/15/36/04/449153604.db2.gz BWOFTNAQDCOQPU-CYBMUJFWSA-N 1 1 344.375 1.342 20 5 EDBDMO COCCNC(=O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000603933525 449161229 /nfs/dbraw/zinc/16/12/29/449161229.db2.gz AHXHKEUCWZAXJV-UHFFFAOYSA-N 1 1 327.406 1.631 20 5 EDBDMO CCc1ccc(C(=O)NC2CC([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000600066742 449167821 /nfs/dbraw/zinc/16/78/21/449167821.db2.gz KWHQYHPTTJYXOS-UHFFFAOYSA-N 1 1 333.388 1.750 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000590447617 449168485 /nfs/dbraw/zinc/16/84/85/449168485.db2.gz ZLQWVRMNQPXSLQ-BMIGLBTASA-N 1 1 342.355 1.625 20 5 EDBDMO O=C(CC[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595735610 449137828 /nfs/dbraw/zinc/13/78/28/449137828.db2.gz BLIOWPHBVPYCKW-IUODEOHRSA-N 1 1 346.387 1.524 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC000593108717 449138317 /nfs/dbraw/zinc/13/83/17/449138317.db2.gz ZGFDVBGPTOOQEN-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC000593108717 449138321 /nfs/dbraw/zinc/13/83/21/449138321.db2.gz ZGFDVBGPTOOQEN-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1COCCO1 ZINC000595738086 449140390 /nfs/dbraw/zinc/14/03/90/449140390.db2.gz VZGCHRAWIOMRAI-CQSZACIVSA-N 1 1 337.376 1.579 20 5 EDBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000590387160 449142911 /nfs/dbraw/zinc/14/29/11/449142911.db2.gz FJBDTJNHEXOLBT-LLVKDONJSA-N 1 1 339.417 1.982 20 5 EDBDMO Nc1ccc(NCc2cccc(C[NH+]3CCOCC3)c2)nc1[N+](=O)[O-] ZINC000590574291 449197800 /nfs/dbraw/zinc/19/78/00/449197800.db2.gz HHMWEBPMOAROFQ-UHFFFAOYSA-N 1 1 343.387 2.016 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595826990 449190176 /nfs/dbraw/zinc/19/01/76/449190176.db2.gz BTSIHHLSCMZWAG-AVGNSLFASA-N 1 1 349.387 1.899 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595826990 449190183 /nfs/dbraw/zinc/19/01/83/449190183.db2.gz BTSIHHLSCMZWAG-AVGNSLFASA-N 1 1 349.387 1.899 20 5 EDBDMO CN1CC[NH+](C(C)(C)CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000604475664 449235229 /nfs/dbraw/zinc/23/52/29/449235229.db2.gz MEOWNZKCDCRWCD-UHFFFAOYSA-N 1 1 349.435 1.420 20 5 EDBDMO CNS(=O)(=O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611271341 449245293 /nfs/dbraw/zinc/24/52/93/449245293.db2.gz YICPNJNXPLTVEX-XQRVVYSFSA-N 1 1 339.417 1.622 20 5 EDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000590694539 449250205 /nfs/dbraw/zinc/25/02/05/449250205.db2.gz MUJCZHZQSVKSRT-MEDUHNTESA-N 1 1 346.387 1.705 20 5 EDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000590694539 449250209 /nfs/dbraw/zinc/25/02/09/449250209.db2.gz MUJCZHZQSVKSRT-MEDUHNTESA-N 1 1 346.387 1.705 20 5 EDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600228974 449254029 /nfs/dbraw/zinc/25/40/29/449254029.db2.gz IRZAELYCGZAETC-CYBMUJFWSA-N 1 1 334.376 1.832 20 5 EDBDMO CCc1ccc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)cc1[N+](=O)[O-] ZINC000611218394 449220787 /nfs/dbraw/zinc/22/07/87/449220787.db2.gz IZEHOUMQERHZST-UHFFFAOYSA-N 1 1 335.404 1.686 20 5 EDBDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602036917 449291421 /nfs/dbraw/zinc/29/14/21/449291421.db2.gz OFGFIJKTOYVNFK-INIZCTEOSA-N 1 1 332.404 1.728 20 5 EDBDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000600299510 449308471 /nfs/dbraw/zinc/30/84/71/449308471.db2.gz UTEGFRNEZRJJLW-ZDUSSCGKSA-N 1 1 344.371 1.936 20 5 EDBDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000600299510 449308474 /nfs/dbraw/zinc/30/84/74/449308474.db2.gz UTEGFRNEZRJJLW-ZDUSSCGKSA-N 1 1 344.371 1.936 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@]12CCNC2=O ZINC000593998306 449317707 /nfs/dbraw/zinc/31/77/07/449317707.db2.gz GCDFUKFSHWDGCD-KRWDZBQOSA-N 1 1 346.387 1.586 20 5 EDBDMO C[C@@H]1C[N@H+](CCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H](C)O1 ZINC000611525401 449321627 /nfs/dbraw/zinc/32/16/27/449321627.db2.gz UCHITAUWVOCJFS-TXEJJXNPSA-N 1 1 338.408 1.581 20 5 EDBDMO C[C@H]1C[N@H+](C)C[C@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000602124229 449364180 /nfs/dbraw/zinc/36/41/80/449364180.db2.gz LRFLWLRQCYPOCN-BLLLJJGKSA-N 1 1 333.388 1.805 20 5 EDBDMO C[C@H]1C[N@@H+](C)C[C@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000602124229 449364183 /nfs/dbraw/zinc/36/41/83/449364183.db2.gz LRFLWLRQCYPOCN-BLLLJJGKSA-N 1 1 333.388 1.805 20 5 EDBDMO COC(=O)[C@@](C)(NC(=O)Cn1c[nH+]cc1C)c1cccc([N+](=O)[O-])c1 ZINC000600523919 449425300 /nfs/dbraw/zinc/42/53/00/449425300.db2.gz XYBWVAUAGKEXGK-INIZCTEOSA-N 1 1 346.343 1.304 20 5 EDBDMO COc1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])cc1F ZINC000596539774 449545487 /nfs/dbraw/zinc/54/54/87/449545487.db2.gz QLUMILSLHWORPT-GFCCVEGCSA-N 1 1 339.367 1.778 20 5 EDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000596553437 449550204 /nfs/dbraw/zinc/55/02/04/449550204.db2.gz SNJIRZCSRXVYJC-CYBMUJFWSA-N 1 1 341.371 1.775 20 5 EDBDMO NC(=O)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000612069245 449551508 /nfs/dbraw/zinc/55/15/08/449551508.db2.gz CYEFBFJHQKUJHG-CYBMUJFWSA-N 1 1 337.376 1.064 20 5 EDBDMO NC(=O)c1ccnc(NC[C@H]2CC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596558065 449552508 /nfs/dbraw/zinc/55/25/08/449552508.db2.gz MIRWBBREQSAVLA-CYBMUJFWSA-N 1 1 341.371 1.775 20 5 EDBDMO C[C@@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600808296 449554673 /nfs/dbraw/zinc/55/46/73/449554673.db2.gz KOTJJZVHZRTRIS-PWSUYJOCSA-N 1 1 325.340 1.020 20 5 EDBDMO CN1CC[N@@H+](C)C[C@H]1CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602547726 449666941 /nfs/dbraw/zinc/66/69/41/449666941.db2.gz ZTABYRFYMBCTEK-CYBMUJFWSA-N 1 1 346.353 1.949 20 5 EDBDMO CN1CCN(C)[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602547726 449666942 /nfs/dbraw/zinc/66/69/42/449666942.db2.gz ZTABYRFYMBCTEK-CYBMUJFWSA-N 1 1 346.353 1.949 20 5 EDBDMO Cc1cc(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596825773 449671207 /nfs/dbraw/zinc/67/12/07/449671207.db2.gz ZAXYNRAHOCAIRQ-OAHLLOKOSA-N 1 1 348.403 1.966 20 5 EDBDMO COCC[N@@H+](C)CCN1C[C@H](Nc2ccsc2[N+](=O)[O-])CC1=O ZINC000601177978 449735863 /nfs/dbraw/zinc/73/58/63/449735863.db2.gz GSRIOKSNSXFJJQ-LLVKDONJSA-N 1 1 342.421 1.247 20 5 EDBDMO C[N@@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](CO)C1 ZINC000602715461 449764971 /nfs/dbraw/zinc/76/49/71/449764971.db2.gz NRYVISFVOXPKHS-CYBMUJFWSA-N 1 1 331.372 1.963 20 5 EDBDMO C[N@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](CO)C1 ZINC000602715461 449764975 /nfs/dbraw/zinc/76/49/75/449764975.db2.gz NRYVISFVOXPKHS-CYBMUJFWSA-N 1 1 331.372 1.963 20 5 EDBDMO C[N@@H+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](CO)C1 ZINC000602717011 449766253 /nfs/dbraw/zinc/76/62/53/449766253.db2.gz XETZYKIFEPLWRQ-OAHLLOKOSA-N 1 1 348.428 1.827 20 5 EDBDMO C[N@H+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](CO)C1 ZINC000602717011 449766257 /nfs/dbraw/zinc/76/62/57/449766257.db2.gz XETZYKIFEPLWRQ-OAHLLOKOSA-N 1 1 348.428 1.827 20 5 EDBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597096896 449810194 /nfs/dbraw/zinc/81/01/94/449810194.db2.gz KYFJYWASMIFGAM-MRVPVSSYSA-N 1 1 327.772 1.904 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2c(F)cncc2Br)c1 ZINC000594931678 449812267 /nfs/dbraw/zinc/81/22/67/449812267.db2.gz QZOUZNGIOWXNMQ-UHFFFAOYSA-N 1 1 344.144 1.878 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000601319857 449829491 /nfs/dbraw/zinc/82/94/91/449829491.db2.gz JGHAQTRBGAKUBN-SNVBAGLBSA-N 1 1 331.369 1.415 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000601319857 449829494 /nfs/dbraw/zinc/82/94/94/449829494.db2.gz JGHAQTRBGAKUBN-SNVBAGLBSA-N 1 1 331.369 1.415 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])s1 ZINC000601356119 449868848 /nfs/dbraw/zinc/86/88/48/449868848.db2.gz HHRGHSKBKMLTKJ-KOLCDFICSA-N 1 1 347.462 1.925 20 5 EDBDMO CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000595110133 449874139 /nfs/dbraw/zinc/87/41/39/449874139.db2.gz GWMOKNJAGPIHLT-CYBMUJFWSA-N 1 1 348.403 1.703 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601341979 449851075 /nfs/dbraw/zinc/85/10/75/449851075.db2.gz NMHTYRYVOTUIHF-LLVKDONJSA-N 1 1 345.446 1.822 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601341979 449851079 /nfs/dbraw/zinc/85/10/79/449851079.db2.gz NMHTYRYVOTUIHF-LLVKDONJSA-N 1 1 345.446 1.822 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595353609 450067424 /nfs/dbraw/zinc/06/74/24/450067424.db2.gz IJWDIYFBTZTWFF-LLVKDONJSA-N 1 1 343.405 1.366 20 5 EDBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000595353331 450067854 /nfs/dbraw/zinc/06/78/54/450067854.db2.gz FKYGXNRMUKMUMI-JTQLQIEISA-N 1 1 331.369 1.497 20 5 EDBDMO CO[C@H](C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@H]1CCOC1 ZINC000595371010 450084708 /nfs/dbraw/zinc/08/47/08/450084708.db2.gz MYDPVPKBMCAANC-GZBFAFLISA-N 1 1 336.392 1.528 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000603186032 450125932 /nfs/dbraw/zinc/12/59/32/450125932.db2.gz OFIDAWXSLLQJPY-WBMJQRKESA-N 1 1 331.376 1.752 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000603186032 450125938 /nfs/dbraw/zinc/12/59/38/450125938.db2.gz OFIDAWXSLLQJPY-WBMJQRKESA-N 1 1 331.376 1.752 20 5 EDBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610259520 450171417 /nfs/dbraw/zinc/17/14/17/450171417.db2.gz IXQWEQNUKPEKRE-LBPRGKRZSA-N 1 1 342.421 1.533 20 5 EDBDMO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000595552429 450227584 /nfs/dbraw/zinc/22/75/84/450227584.db2.gz UXKOPFWYSVLVQG-UHFFFAOYSA-N 1 1 348.403 1.601 20 5 EDBDMO C[C@@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597681439 450192450 /nfs/dbraw/zinc/19/24/50/450192450.db2.gz BIZOFKOVASLCOF-CYBMUJFWSA-N 1 1 333.388 1.489 20 5 EDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000264227512 536431165 /nfs/dbraw/zinc/43/11/65/536431165.db2.gz XINLALYPSZSAGI-CYBMUJFWSA-N 1 1 343.387 1.804 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000174020545 527837854 /nfs/dbraw/zinc/83/78/54/527837854.db2.gz KXAMYAKMNOMWLJ-SNVBAGLBSA-N 1 1 333.435 1.619 20 5 EDBDMO CC(C)[N@H+](CCC(=O)N1CCNCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000262045290 535049651 /nfs/dbraw/zinc/04/96/51/535049651.db2.gz HXLQXHRSAYNRJT-UHFFFAOYSA-N 1 1 334.420 1.627 20 5 EDBDMO CC(C)[N@@H+](CCC(=O)N1CCNCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000262045290 535049654 /nfs/dbraw/zinc/04/96/54/535049654.db2.gz HXLQXHRSAYNRJT-UHFFFAOYSA-N 1 1 334.420 1.627 20 5 EDBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000353387285 536434615 /nfs/dbraw/zinc/43/46/15/536434615.db2.gz OCPXSIBSVOLCJG-AWEZNQCLSA-N 1 1 343.387 1.912 20 5 EDBDMO COc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000262090386 536725076 /nfs/dbraw/zinc/72/50/76/536725076.db2.gz YKIWPOVLBVVOBE-HNNXBMFYSA-N 1 1 342.355 1.785 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000741579885 579421190 /nfs/dbraw/zinc/42/11/90/579421190.db2.gz QZUZAEOAKWDHIC-SWLSCSKDSA-N 1 1 345.403 1.743 20 5 EDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729502353 578578157 /nfs/dbraw/zinc/57/81/57/578578157.db2.gz SMNNIQUPEYYOMX-GJZGRUSLSA-N 1 1 348.403 1.599 20 5 EDBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000730157726 578618509 /nfs/dbraw/zinc/61/85/09/578618509.db2.gz XOOKTIZNECCHIX-GFCCVEGCSA-N 1 1 337.449 1.517 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000731024890 578666069 /nfs/dbraw/zinc/66/60/69/578666069.db2.gz KFUISGPYMSUPGZ-LBPRGKRZSA-N 1 1 331.376 1.403 20 5 EDBDMO COC(=O)c1cc(NC(=O)CC[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000736196283 578962275 /nfs/dbraw/zinc/96/22/75/578962275.db2.gz VCLJZICBAUTWAK-UHFFFAOYSA-N 1 1 337.332 1.042 20 5 EDBDMO CCC[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736481551 578993094 /nfs/dbraw/zinc/99/30/94/578993094.db2.gz WJALNRYMXDMUEH-SNVBAGLBSA-N 1 1 332.368 1.314 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000737005445 579039769 /nfs/dbraw/zinc/03/97/69/579039769.db2.gz SBZMFRPFJZWPTH-GFCCVEGCSA-N 1 1 347.379 1.298 20 5 EDBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC[NH+]1CCOCC1 ZINC000751311124 579801138 /nfs/dbraw/zinc/80/11/38/579801138.db2.gz YSPBDCQWHLJXHN-UHFFFAOYSA-N 1 1 341.795 1.929 20 5 EDBDMO CNC(=O)CCC[N@@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000753805866 579887964 /nfs/dbraw/zinc/88/79/64/579887964.db2.gz OFIWTTPYGVJBPU-UHFFFAOYSA-N 1 1 349.391 1.252 20 5 EDBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000754794712 579912435 /nfs/dbraw/zinc/91/24/35/579912435.db2.gz VZXYNPDXSLDLOZ-SNVBAGLBSA-N 1 1 345.808 1.763 20 5 EDBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000754794712 579912436 /nfs/dbraw/zinc/91/24/36/579912436.db2.gz VZXYNPDXSLDLOZ-SNVBAGLBSA-N 1 1 345.808 1.763 20 5 EDBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000762790267 580083503 /nfs/dbraw/zinc/08/35/03/580083503.db2.gz CWLMEZUPHNQVCZ-MRXNPFEDSA-N 1 1 340.387 1.984 20 5 EDBDMO CC[NH+]1CCN(C(=O)CNc2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000771202078 580282266 /nfs/dbraw/zinc/28/22/66/580282266.db2.gz MEJPWRLWNMWXCI-UHFFFAOYSA-N 1 1 340.355 1.319 20 5 EDBDMO Cc1nc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000780739143 580532605 /nfs/dbraw/zinc/53/26/05/580532605.db2.gz GKNPCFMLAPGROF-UHFFFAOYSA-N 1 1 330.392 1.822 20 5 EDBDMO Cc1nnc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000780739143 580532606 /nfs/dbraw/zinc/53/26/06/580532606.db2.gz GKNPCFMLAPGROF-UHFFFAOYSA-N 1 1 330.392 1.822 20 5 EDBDMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000781609936 580553277 /nfs/dbraw/zinc/55/32/77/580553277.db2.gz HILUSELXTTYYOL-GFCCVEGCSA-N 1 1 348.359 1.789 20 5 EDBDMO O=C(CC[N@@H+]1CCSC[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525000 580576854 /nfs/dbraw/zinc/57/68/54/580576854.db2.gz RLBDOISMPUPBLM-LLVKDONJSA-N 1 1 343.380 1.472 20 5 EDBDMO NC(=O)C[NH+]1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000788834572 580730813 /nfs/dbraw/zinc/73/08/13/580730813.db2.gz JERPPXOYMIXSMT-UHFFFAOYSA-N 1 1 329.360 1.505 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000790455645 580770667 /nfs/dbraw/zinc/77/06/67/580770667.db2.gz HXGYLYPPAKGSBM-GFCCVEGCSA-N 1 1 344.375 1.302 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000790455645 580770668 /nfs/dbraw/zinc/77/06/68/580770668.db2.gz HXGYLYPPAKGSBM-GFCCVEGCSA-N 1 1 344.375 1.302 20 5 EDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C[NH+]1CCOCC1 ZINC000791368682 580790956 /nfs/dbraw/zinc/79/09/56/580790956.db2.gz ZXRKJKPMPYICLW-SNVBAGLBSA-N 1 1 340.355 1.014 20 5 EDBDMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000793601871 580848751 /nfs/dbraw/zinc/84/87/51/580848751.db2.gz YRSJPMDBMIUIOV-MRXNPFEDSA-N 1 1 330.344 1.566 20 5 EDBDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000793601871 580848752 /nfs/dbraw/zinc/84/87/52/580848752.db2.gz YRSJPMDBMIUIOV-MRXNPFEDSA-N 1 1 330.344 1.566 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000893156783 590686919 /nfs/dbraw/zinc/68/69/19/590686919.db2.gz GBFGOIGMKXPVGI-LBPRGKRZSA-N 1 1 332.335 1.803 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000893156783 590686922 /nfs/dbraw/zinc/68/69/22/590686922.db2.gz GBFGOIGMKXPVGI-LBPRGKRZSA-N 1 1 332.335 1.803 20 5 EDBDMO C[C@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000893276823 590750808 /nfs/dbraw/zinc/75/08/08/590750808.db2.gz JPPHUZXYBLFWSP-NSHDSACASA-N 1 1 334.351 1.785 20 5 EDBDMO C[C@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000893276823 590750811 /nfs/dbraw/zinc/75/08/11/590750811.db2.gz JPPHUZXYBLFWSP-NSHDSACASA-N 1 1 334.351 1.785 20 5 EDBDMO Cn1c2ccccc2c(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1=O ZINC000892491522 591047718 /nfs/dbraw/zinc/04/77/18/591047718.db2.gz BNXFTVHTHRRDLD-UHFFFAOYSA-N 1 1 348.428 1.907 20 5 EDBDMO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000135344926 591195216 /nfs/dbraw/zinc/19/52/16/591195216.db2.gz RWYCFOBQCIDRSZ-AWEZNQCLSA-N 1 1 342.779 1.994 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000897222535 591776257 /nfs/dbraw/zinc/77/62/57/591776257.db2.gz VOKKBXRMNWUTDL-UONOGXRCSA-N 1 1 349.387 1.417 20 5 EDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000899946016 591834055 /nfs/dbraw/zinc/83/40/55/591834055.db2.gz ZEYDNGPUFISLEA-HNNXBMFYSA-N 1 1 343.387 1.664 20 5 EDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000903028660 592109114 /nfs/dbraw/zinc/10/91/14/592109114.db2.gz TXMFMHQOFMOUHR-CYBMUJFWSA-N 1 1 329.360 1.950 20 5 EDBDMO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000901017023 592198295 /nfs/dbraw/zinc/19/82/95/592198295.db2.gz ORQFNCCURQMQRZ-RISCZKNCSA-N 1 1 327.768 1.320 20 5 EDBDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000901017023 592198298 /nfs/dbraw/zinc/19/82/98/592198298.db2.gz ORQFNCCURQMQRZ-RISCZKNCSA-N 1 1 327.768 1.320 20 5 EDBDMO C[C@H]1C[N@H+](C)C[C@H](C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)O1 ZINC000904500615 592272982 /nfs/dbraw/zinc/27/29/82/592272982.db2.gz OIYBUMFXWPWHAD-IINYFYTJSA-N 1 1 330.344 1.801 20 5 EDBDMO C[C@H]1C[N@@H+](C)C[C@H](C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)O1 ZINC000904500615 592272986 /nfs/dbraw/zinc/27/29/86/592272986.db2.gz OIYBUMFXWPWHAD-IINYFYTJSA-N 1 1 330.344 1.801 20 5 EDBDMO CCCc1[nH]nc(-c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)c1[N+](=O)[O-] ZINC000904930063 592349768 /nfs/dbraw/zinc/34/97/68/592349768.db2.gz NNMYFXFZITVRBW-GXSJLCMTSA-N 1 1 348.363 1.856 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)n1 ZINC000905701146 592614473 /nfs/dbraw/zinc/61/44/73/592614473.db2.gz URJRYXOHVPDSKI-GASCZTMLSA-N 1 1 331.420 1.703 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910295560 592833421 /nfs/dbraw/zinc/83/34/21/592833421.db2.gz NIXBWKJIYMMEJC-ZDUSSCGKSA-N 1 1 348.403 1.267 20 5 EDBDMO CN(CC[N@@H+](C)CCO)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000912598069 593107272 /nfs/dbraw/zinc/10/72/72/593107272.db2.gz CGVGYSHHDZVCMD-UHFFFAOYSA-N 1 1 349.309 1.610 20 5 EDBDMO CC(C)(C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000805617385 593115217 /nfs/dbraw/zinc/11/52/17/593115217.db2.gz VOARQIOOFPQUSV-UHFFFAOYSA-N 1 1 335.360 1.611 20 5 EDBDMO CNC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805825905 593149919 /nfs/dbraw/zinc/14/99/19/593149919.db2.gz KELLZJJEZYEKIU-CABCVRRESA-N 1 1 337.376 1.839 20 5 EDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000840179111 593342201 /nfs/dbraw/zinc/34/22/01/593342201.db2.gz QSVFXLVAZFDBSC-CYBMUJFWSA-N 1 1 344.375 1.221 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000839606637 593348521 /nfs/dbraw/zinc/34/85/21/593348521.db2.gz QXDRMJSJPOYAMX-VVLHAWIVSA-N 1 1 345.399 1.678 20 5 EDBDMO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839680902 593369697 /nfs/dbraw/zinc/36/96/97/593369697.db2.gz OUBUSMJPNQADQV-HZPDHXFCSA-N 1 1 333.388 1.443 20 5 EDBDMO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000840023042 593383991 /nfs/dbraw/zinc/38/39/91/593383991.db2.gz KMRQMWRACYKLST-SJORKVTESA-N 1 1 347.371 1.602 20 5 EDBDMO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000840023042 593383992 /nfs/dbraw/zinc/38/39/92/593383992.db2.gz KMRQMWRACYKLST-SJORKVTESA-N 1 1 347.371 1.602 20 5 EDBDMO C[NH+]1CCN(CCCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804349477 593407514 /nfs/dbraw/zinc/40/75/14/593407514.db2.gz IVRWRALSKJVONS-UHFFFAOYSA-N 1 1 337.380 1.943 20 5 EDBDMO C[C@]1(O)CCC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000840062963 593454169 /nfs/dbraw/zinc/45/41/69/593454169.db2.gz MEADJBDACSVNRO-SJORKVTESA-N 1 1 349.387 1.726 20 5 EDBDMO C[C@]1(O)CCC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000840062963 593454170 /nfs/dbraw/zinc/45/41/70/593454170.db2.gz MEADJBDACSVNRO-SJORKVTESA-N 1 1 349.387 1.726 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H](n4cccn4)C3)n2)c1 ZINC000812295187 593495040 /nfs/dbraw/zinc/49/50/40/593495040.db2.gz BXMZDPYHTPNVBQ-OAHLLOKOSA-N 1 1 339.359 1.954 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@@H](n4cccn4)C3)n2)c1 ZINC000812295187 593495041 /nfs/dbraw/zinc/49/50/41/593495041.db2.gz BXMZDPYHTPNVBQ-OAHLLOKOSA-N 1 1 339.359 1.954 20 5 EDBDMO CC(C)(CCc1noc(CCCC[NH+]2CCOCC2)n1)[N+](=O)[O-] ZINC000812812775 593510102 /nfs/dbraw/zinc/51/01/02/593510102.db2.gz RWOLPAHJRXNMAC-UHFFFAOYSA-N 1 1 326.397 1.712 20 5 EDBDMO CN(C[C@@H]1CCC[N@H+]1C)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000817374318 593598246 /nfs/dbraw/zinc/59/82/46/593598246.db2.gz KEZHQCLJNQNMDP-LBPRGKRZSA-N 1 1 347.375 1.395 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000815138502 593617869 /nfs/dbraw/zinc/61/78/69/593617869.db2.gz URNNWUXLOMMGIO-GVDBMIGSSA-N 1 1 335.404 1.423 20 5 EDBDMO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C ZINC000820656577 593854840 /nfs/dbraw/zinc/85/48/40/593854840.db2.gz GPAKISBBVPGWHO-WDEREUQCSA-N 1 1 331.380 1.694 20 5 EDBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C)O1 ZINC000822302501 594027764 /nfs/dbraw/zinc/02/77/64/594027764.db2.gz DIFGJZAMORPWJQ-BETUJISGSA-N 1 1 329.441 1.826 20 5 EDBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C)O1 ZINC000822302501 594027766 /nfs/dbraw/zinc/02/77/66/594027766.db2.gz DIFGJZAMORPWJQ-BETUJISGSA-N 1 1 329.441 1.826 20 5 EDBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823306733 594183195 /nfs/dbraw/zinc/18/31/95/594183195.db2.gz XTBOKYWYQFGYTN-UHFFFAOYSA-N 1 1 328.457 1.306 20 5 EDBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823306733 594183196 /nfs/dbraw/zinc/18/31/96/594183196.db2.gz XTBOKYWYQFGYTN-UHFFFAOYSA-N 1 1 328.457 1.306 20 5 EDBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823310424 594183780 /nfs/dbraw/zinc/18/37/80/594183780.db2.gz MSRLTVSCFJZLNW-CQSZACIVSA-N 1 1 328.457 1.212 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000826750824 594569599 /nfs/dbraw/zinc/56/95/99/594569599.db2.gz JPHGIJAYYQGFJP-CQSZACIVSA-N 1 1 335.408 1.338 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3cccc(F)n3)CC2)c1 ZINC000831485904 594640726 /nfs/dbraw/zinc/64/07/26/594640726.db2.gz JBODXUAMHCSRJK-HNNXBMFYSA-N 1 1 346.362 1.985 20 5 EDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841458397 594903813 /nfs/dbraw/zinc/90/38/13/594903813.db2.gz YVNXOIBCCXOKTI-QWRGUYRKSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841458397 594903814 /nfs/dbraw/zinc/90/38/14/594903814.db2.gz YVNXOIBCCXOKTI-QWRGUYRKSA-N 1 1 341.795 1.775 20 5 EDBDMO Cc1c(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000834310398 595090179 /nfs/dbraw/zinc/09/01/79/595090179.db2.gz KZMOCZLBUAWKKB-RISCZKNCSA-N 1 1 348.359 1.896 20 5 EDBDMO CC[NH2+]Cc1noc(-c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n1 ZINC000843144772 595295777 /nfs/dbraw/zinc/29/57/77/595295777.db2.gz YWEGFLZVRILXGY-UHFFFAOYSA-N 1 1 326.334 1.158 20 5 EDBDMO O=C1O[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CN1C1CC1 ZINC000844268023 595314570 /nfs/dbraw/zinc/31/45/70/595314570.db2.gz GLPKEXUPUAFPFP-INIZCTEOSA-N 1 1 346.387 1.700 20 5 EDBDMO COCC[N@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000844432031 595342513 /nfs/dbraw/zinc/34/25/13/595342513.db2.gz PVBLAWXHADEKHA-MRXNPFEDSA-N 1 1 337.420 1.671 20 5 EDBDMO CO[C@@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@@H]1OC ZINC000848485646 595392409 /nfs/dbraw/zinc/39/24/09/595392409.db2.gz RXAFSIHIXORUSU-IYBDPMFKSA-N 1 1 332.360 1.761 20 5 EDBDMO CO[C@@H]1C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@@H]1OC ZINC000848485646 595392413 /nfs/dbraw/zinc/39/24/13/595392413.db2.gz RXAFSIHIXORUSU-IYBDPMFKSA-N 1 1 332.360 1.761 20 5 EDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000847947525 595503541 /nfs/dbraw/zinc/50/35/41/595503541.db2.gz VTTQJRUSEIUSPE-UHFFFAOYSA-N 1 1 333.323 1.728 20 5 EDBDMO NC(=O)c1cccc2c1CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852754967 595527487 /nfs/dbraw/zinc/52/74/87/595527487.db2.gz RGTZGOOJSLEFHR-QGZVFWFLSA-N 1 1 341.367 1.785 20 5 EDBDMO NC(=O)c1cccc2c1CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852754967 595527488 /nfs/dbraw/zinc/52/74/88/595527488.db2.gz RGTZGOOJSLEFHR-QGZVFWFLSA-N 1 1 341.367 1.785 20 5 EDBDMO C[N@H+]1CC[C@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000858138562 595710472 /nfs/dbraw/zinc/71/04/72/595710472.db2.gz DOHAXZLHJNEOLY-NUEKZKHPSA-N 1 1 337.420 1.452 20 5 EDBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H]3COC[C@H]3C2)nc1-c1ccccn1 ZINC000853590196 595818496 /nfs/dbraw/zinc/81/84/96/595818496.db2.gz SSRXMTKQEVFWHF-QWHCGFSZSA-N 1 1 329.360 1.779 20 5 EDBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@H]3COC[C@H]3C2)nc1-c1ccccn1 ZINC000853590196 595818500 /nfs/dbraw/zinc/81/85/00/595818500.db2.gz SSRXMTKQEVFWHF-QWHCGFSZSA-N 1 1 329.360 1.779 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@H+]2C)c1 ZINC000861343880 595950271 /nfs/dbraw/zinc/95/02/71/595950271.db2.gz KIQFCVMFWQAJRI-MLGOLLRUSA-N 1 1 338.360 1.869 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000854642495 596145771 /nfs/dbraw/zinc/14/57/71/596145771.db2.gz PUBILRLLHHHRLA-GJZGRUSLSA-N 1 1 337.351 1.669 20 5 EDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709199 596302620 /nfs/dbraw/zinc/30/26/20/596302620.db2.gz ITXXUSCNZYIDBL-RKLWJJNISA-N 1 1 346.387 1.523 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868079922 596679076 /nfs/dbraw/zinc/67/90/76/596679076.db2.gz JADIXLHPOIHUSN-WFASDCNBSA-N 1 1 348.403 1.839 20 5 EDBDMO CC(C)[C@H]1CN(Cn2cc(Br)c([N+](=O)[O-])n2)CC[N@H+]1C ZINC000872736690 597053026 /nfs/dbraw/zinc/05/30/26/597053026.db2.gz UKYBTCBMSCWEHV-LLVKDONJSA-N 1 1 346.229 1.783 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000874847498 597198677 /nfs/dbraw/zinc/19/86/77/597198677.db2.gz PEAHWWZTFQHEAM-CHWSQXEVSA-N 1 1 347.371 1.675 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000878201813 597586439 /nfs/dbraw/zinc/58/64/39/597586439.db2.gz GMLKDUFDANXTRG-UHFFFAOYSA-N 1 1 332.426 1.245 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000878201813 597586440 /nfs/dbraw/zinc/58/64/40/597586440.db2.gz GMLKDUFDANXTRG-UHFFFAOYSA-N 1 1 332.426 1.245 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879580269 597642154 /nfs/dbraw/zinc/64/21/54/597642154.db2.gz GNANREPEAALKPB-KFWWJZLASA-N 1 1 335.404 1.361 20 5 EDBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000881797978 597728102 /nfs/dbraw/zinc/72/81/02/597728102.db2.gz DWILJPRYCOKEAM-UHFFFAOYSA-N 1 1 334.376 1.008 20 5 EDBDMO CC(C)(O)[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879959642 597784449 /nfs/dbraw/zinc/78/44/49/597784449.db2.gz QQAROAWOEBIFFM-ZFWWWQNUSA-N 1 1 338.404 1.817 20 5 EDBDMO COc1ccc(NC(=O)CN2CC[C@H]3[C@H]2CCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC000880135027 597852081 /nfs/dbraw/zinc/85/20/81/597852081.db2.gz PZHUKLWDPBCDHM-LSDHHAIUSA-N 1 1 348.403 1.710 20 5 EDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000882483459 597972572 /nfs/dbraw/zinc/97/25/72/597972572.db2.gz ATLKASGNTJUFDG-AWEZNQCLSA-N 1 1 329.360 1.605 20 5 EDBDMO Cc1nn(C)cc1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001031585748 697281360 /nfs/dbraw/zinc/28/13/60/697281360.db2.gz KTYNYFDZRILMQJ-UHFFFAOYSA-N 1 1 343.387 1.499 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000996429661 702783867 /nfs/dbraw/zinc/78/38/67/702783867.db2.gz RSPCFDRXWOWLOC-IUODEOHRSA-N 1 1 339.342 1.711 20 5 EDBDMO Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC001034644044 710320013 /nfs/dbraw/zinc/32/00/13/710320013.db2.gz ZPBPTEXMDAOROZ-QBPKDAKJSA-N 1 1 346.431 1.881 20 5 EDBDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000557584986 306229955 /nfs/dbraw/zinc/22/99/55/306229955.db2.gz JZMALWYZSGMPEE-GDBMZVCRSA-N 1 1 336.436 1.162 20 5 EDBDMO CC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000412836897 304039312 /nfs/dbraw/zinc/03/93/12/304039312.db2.gz JDQUIKVXTDTWSN-GFCCVEGCSA-N 1 1 329.360 1.605 20 5 EDBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000088059752 138272093 /nfs/dbraw/zinc/27/20/93/138272093.db2.gz LGCYXIHZMWEQOC-QMMMGPOBSA-N 1 1 333.797 1.539 20 5 EDBDMO Cc1nn(CCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC000080715652 138264785 /nfs/dbraw/zinc/26/47/85/138264785.db2.gz QCAWFQSYYLCFCN-GOOCMWNKSA-N 1 1 349.435 1.930 20 5 EDBDMO CC[C@H](C)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000088484130 138272436 /nfs/dbraw/zinc/27/24/36/138272436.db2.gz DESORDMOMZJWPL-ZDUSSCGKSA-N 1 1 341.433 1.947 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090459441 138278703 /nfs/dbraw/zinc/27/87/03/138278703.db2.gz BHJJUNKWUXCLQF-SJORKVTESA-N 1 1 347.415 1.897 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090459441 138278704 /nfs/dbraw/zinc/27/87/04/138278704.db2.gz BHJJUNKWUXCLQF-SJORKVTESA-N 1 1 347.415 1.897 20 5 EDBDMO Cc1nn(C)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000098098768 138297802 /nfs/dbraw/zinc/29/78/02/138297802.db2.gz PYDUHROKRUFEQT-LBPRGKRZSA-N 1 1 347.375 1.797 20 5 EDBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)CN1 ZINC000125744036 138335876 /nfs/dbraw/zinc/33/58/76/138335876.db2.gz QFLFHZQYXZOPSD-CZUORRHYSA-N 1 1 333.388 1.964 20 5 EDBDMO CCOc1cc(N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000413496126 304063324 /nfs/dbraw/zinc/06/33/24/304063324.db2.gz KBPCMJWNTCHUGD-LBPRGKRZSA-N 1 1 337.376 1.535 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368654278 283376143 /nfs/dbraw/zinc/37/61/43/283376143.db2.gz WLHOZEYXGSJFAK-ZBINZKHDSA-N 1 1 346.387 1.312 20 5 EDBDMO NC(=O)c1ccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368654278 283376148 /nfs/dbraw/zinc/37/61/48/283376148.db2.gz WLHOZEYXGSJFAK-ZBINZKHDSA-N 1 1 346.387 1.312 20 5 EDBDMO COc1cc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000564224381 306357642 /nfs/dbraw/zinc/35/76/42/306357642.db2.gz UOSUCLNTXPKZIS-OAHLLOKOSA-N 1 1 335.404 1.900 20 5 EDBDMO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000414153161 304103140 /nfs/dbraw/zinc/10/31/40/304103140.db2.gz YQDVQKUWTWIHSZ-MRXNPFEDSA-N 1 1 343.383 1.484 20 5 EDBDMO C[NH+]1CCC(N2CCC(NC(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC000050802323 201126147 /nfs/dbraw/zinc/12/61/47/201126147.db2.gz PPRRKEXBNAMZFB-UHFFFAOYSA-N 1 1 336.392 1.476 20 5 EDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000076659662 203361561 /nfs/dbraw/zinc/36/15/61/203361561.db2.gz BOKMXWNAJGEQPM-ZDUSSCGKSA-N 1 1 348.403 1.724 20 5 EDBDMO COCC[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1C ZINC000105791049 204157277 /nfs/dbraw/zinc/15/72/77/204157277.db2.gz FBBGPPIABYXVMZ-SNVBAGLBSA-N 1 1 325.394 1.461 20 5 EDBDMO COCC[N@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1C ZINC000105791049 204157280 /nfs/dbraw/zinc/15/72/80/204157280.db2.gz FBBGPPIABYXVMZ-SNVBAGLBSA-N 1 1 325.394 1.461 20 5 EDBDMO O=C(CC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000152214227 204251467 /nfs/dbraw/zinc/25/14/67/204251467.db2.gz UKXNPRCRPKTXRS-HOTGVXAUSA-N 1 1 349.387 1.803 20 5 EDBDMO O=C(CC[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000152214227 204251469 /nfs/dbraw/zinc/25/14/69/204251469.db2.gz UKXNPRCRPKTXRS-HOTGVXAUSA-N 1 1 349.387 1.803 20 5 EDBDMO C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000126257681 205049119 /nfs/dbraw/zinc/04/91/19/205049119.db2.gz XPYUMLFKJLWMLN-AAEUAGOBSA-N 1 1 339.417 1.639 20 5 EDBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111220125 220114111 /nfs/dbraw/zinc/11/41/11/220114111.db2.gz NYCONTHCZRUQOX-WCQYABFASA-N 1 1 346.387 1.070 20 5 EDBDMO CNC(=O)[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000111268441 220129924 /nfs/dbraw/zinc/12/99/24/220129924.db2.gz SVTHCWATACOBJL-SWLSCSKDSA-N 1 1 346.387 1.158 20 5 EDBDMO C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000162069098 206382727 /nfs/dbraw/zinc/38/27/27/206382727.db2.gz JHPOJBDSUITHPO-UHFFFAOYSA-N 1 1 340.767 1.351 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162289111 206392662 /nfs/dbraw/zinc/39/26/62/206392662.db2.gz DGPYJRHQPDEOEX-YOEHRIQHSA-N 1 1 346.431 1.894 20 5 EDBDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247295830 139144125 /nfs/dbraw/zinc/14/41/25/139144125.db2.gz FGGGVRFUOQNUQB-MLGOLLRUSA-N 1 1 343.387 1.973 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000252007162 139203949 /nfs/dbraw/zinc/20/39/49/139203949.db2.gz XXNHPWYINYMHFI-QWRGUYRKSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000252007162 139203950 /nfs/dbraw/zinc/20/39/50/139203950.db2.gz XXNHPWYINYMHFI-QWRGUYRKSA-N 1 1 325.340 1.261 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccc(Cl)cn3)CC2)n1 ZINC000176218832 207201553 /nfs/dbraw/zinc/20/15/53/207201553.db2.gz AYUKZEGPJYLWPP-UHFFFAOYSA-N 1 1 336.783 1.662 20 5 EDBDMO C[C@]([NH2+]CCn1cc([N+](=O)[O-])cn1)(C(N)=O)c1cccc(Cl)c1 ZINC000177391973 207329343 /nfs/dbraw/zinc/32/93/43/207329343.db2.gz SWKACFGALRYDKR-CQSZACIVSA-N 1 1 337.767 1.435 20 5 EDBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000424989070 252291255 /nfs/dbraw/zinc/29/12/55/252291255.db2.gz HLNVNGNJXLMFBL-UHFFFAOYSA-N 1 1 339.367 1.917 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000154086141 224200529 /nfs/dbraw/zinc/20/05/29/224200529.db2.gz WIBCOVGWKQBJTP-WCQYABFASA-N 1 1 329.360 1.711 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000154086141 224200531 /nfs/dbraw/zinc/20/05/31/224200531.db2.gz WIBCOVGWKQBJTP-WCQYABFASA-N 1 1 329.360 1.711 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000154086141 224200534 /nfs/dbraw/zinc/20/05/34/224200534.db2.gz WIBCOVGWKQBJTP-WCQYABFASA-N 1 1 329.360 1.711 20 5 EDBDMO C[N@H+](Cc1cccc2[nH]ccc21)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000493997928 255230548 /nfs/dbraw/zinc/23/05/48/255230548.db2.gz BQMNHGVYNAKWGH-AWEZNQCLSA-N 1 1 329.360 1.766 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184306142 533583277 /nfs/dbraw/zinc/58/32/77/533583277.db2.gz SXSMPWMJSNYGMG-AWEZNQCLSA-N 1 1 334.420 1.280 20 5 EDBDMO CS[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000270406101 140094294 /nfs/dbraw/zinc/09/42/94/140094294.db2.gz ADJUAMPZKMRWQO-STQMWFEESA-N 1 1 349.416 1.589 20 5 EDBDMO COc1cc(C[NH+]2CCC3(CC2)OCCO3)c([N+](=O)[O-])cc1OC ZINC000271037144 140224952 /nfs/dbraw/zinc/22/49/52/140224952.db2.gz KPKUPMXITJARLR-UHFFFAOYSA-N 1 1 338.360 1.951 20 5 EDBDMO COc1ccc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416298270 304304951 /nfs/dbraw/zinc/30/49/51/304304951.db2.gz QLNQGQYGKIIIDP-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1ccc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416298270 304304954 /nfs/dbraw/zinc/30/49/54/304304954.db2.gz QLNQGQYGKIIIDP-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO Cn1cc([C@H]2CCCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000331400490 141017396 /nfs/dbraw/zinc/01/73/96/141017396.db2.gz DCEIJTINXQDKET-LSDHHAIUSA-N 1 1 334.380 1.113 20 5 EDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331663271 141064129 /nfs/dbraw/zinc/06/41/29/141064129.db2.gz NXPCVSXEGFBGGX-BETUJISGSA-N 1 1 335.408 1.828 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000332242441 141145739 /nfs/dbraw/zinc/14/57/39/141145739.db2.gz VSNNHGZVTKQMFL-HZPDHXFCSA-N 1 1 333.388 1.757 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000332444297 141182759 /nfs/dbraw/zinc/18/27/59/141182759.db2.gz JKVFQPIAZMMHBL-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000332444297 141182760 /nfs/dbraw/zinc/18/27/60/141182760.db2.gz JKVFQPIAZMMHBL-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000340235596 142315271 /nfs/dbraw/zinc/31/52/71/142315271.db2.gz HQLCBKRCMFZEJR-OAHLLOKOSA-N 1 1 330.388 1.946 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000345124838 143053549 /nfs/dbraw/zinc/05/35/49/143053549.db2.gz GHYOKMWBADIFPK-GFCCVEGCSA-N 1 1 346.387 1.604 20 5 EDBDMO 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ZINC000374066001 157128158 /nfs/dbraw/zinc/12/81/58/157128158.db2.gz DDTIUJBDFJXIMA-QBPKDAKJSA-N 1 1 336.388 1.490 20 5 EDBDMO CCc1ccc([C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC[NH2+]2)cc1 ZINC000374344828 157252971 /nfs/dbraw/zinc/25/29/71/157252971.db2.gz IYYMHUQOOXPRLY-INIZCTEOSA-N 1 1 343.387 1.527 20 5 EDBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000378004074 158053645 /nfs/dbraw/zinc/05/36/45/158053645.db2.gz ZWTPYSPAKYZFLW-CYBMUJFWSA-N 1 1 346.391 1.550 20 5 EDBDMO Cc1ccc(CN2CCO[C@H](C[NH+]3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000378351009 158148566 /nfs/dbraw/zinc/14/85/66/158148566.db2.gz QSUZQXJDCGXVAT-QGZVFWFLSA-N 1 1 348.447 1.351 20 5 EDBDMO CN(Cc1nccc(N)n1)[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000275896358 268383040 /nfs/dbraw/zinc/38/30/40/268383040.db2.gz ZYDIFOPTVCWFKM-AWEZNQCLSA-N 1 1 342.403 1.673 20 5 EDBDMO Cc1nn(C)c(-c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)c1[N+](=O)[O-] ZINC000274146243 273072378 /nfs/dbraw/zinc/07/23/78/273072378.db2.gz YNDBNFNPPHCJSW-UWVGGRQHSA-N 1 1 334.336 1.222 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000274521819 273093056 /nfs/dbraw/zinc/09/30/56/273093056.db2.gz WWVHFCCSBTUISR-LBPRGKRZSA-N 1 1 337.380 1.941 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000276215771 273153657 /nfs/dbraw/zinc/15/36/57/273153657.db2.gz WPLIDPFHJLCKTL-GFCCVEGCSA-N 1 1 346.387 1.608 20 5 EDBDMO Cc1cc(C)c(S(=O)(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000277026342 273177751 /nfs/dbraw/zinc/17/77/51/273177751.db2.gz IJVFTNCNHSDUDQ-ZDUSSCGKSA-N 1 1 341.433 1.784 20 5 EDBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)COc1ccccc1 ZINC000277681218 273216047 /nfs/dbraw/zinc/21/60/47/273216047.db2.gz BBFUBXVAJYYCOO-OAHLLOKOSA-N 1 1 348.403 1.942 20 5 EDBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279809347 273328853 /nfs/dbraw/zinc/32/88/53/273328853.db2.gz PRWFPFNZLZQVGN-KKUMJFAQSA-N 1 1 338.404 1.960 20 5 EDBDMO 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O=C1C[C@H](c2ccccc2)[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1 ZINC000174831149 275020993 /nfs/dbraw/zinc/02/09/93/275020993.db2.gz DDYBUIFMRNFGKT-OAHLLOKOSA-N 1 1 329.360 1.355 20 5 EDBDMO O=C1NC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]12 ZINC000368247188 275024122 /nfs/dbraw/zinc/02/41/22/275024122.db2.gz YWBXREAVDWYBFR-TZMCWYRMSA-N 1 1 333.344 1.029 20 5 EDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]12 ZINC000368247188 275024123 /nfs/dbraw/zinc/02/41/23/275024123.db2.gz YWBXREAVDWYBFR-TZMCWYRMSA-N 1 1 333.344 1.029 20 5 EDBDMO O=C1[C@H](N2CC[N@H+]3CCCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000248369438 275029586 /nfs/dbraw/zinc/02/95/86/275029586.db2.gz WGTRCVXMDYQEJQ-DLBZAZTESA-N 1 1 344.415 1.870 20 5 EDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000252656857 277181468 /nfs/dbraw/zinc/18/14/68/277181468.db2.gz WGQNLPPAECIXTI-ZFWWWQNUSA-N 1 1 332.404 1.949 20 5 EDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000287165654 288170710 /nfs/dbraw/zinc/17/07/10/288170710.db2.gz NAJOXZICZHOHLO-CHWSQXEVSA-N 1 1 336.392 1.364 20 5 EDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000292350810 289322714 /nfs/dbraw/zinc/32/27/14/289322714.db2.gz QQPRDAYLEHCDCK-NXEZZACHSA-N 1 1 325.394 1.195 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000246078850 300220186 /nfs/dbraw/zinc/22/01/86/300220186.db2.gz FPLVFRYDYNLLED-NWDGAFQWSA-N 1 1 327.406 1.556 20 5 EDBDMO COC(=O)c1cnc(NC[C@@H]2CC[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC000420275154 304741542 /nfs/dbraw/zinc/74/15/42/304741542.db2.gz GHERRQWMMYDFGQ-VIFPVBQESA-N 1 1 330.291 1.433 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493420393 447325594 /nfs/dbraw/zinc/32/55/94/447325594.db2.gz NZXHYKPHJHKZGQ-YOIVVXPQSA-N 1 1 333.388 1.522 20 5 EDBDMO COCCOC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000295609537 303241492 /nfs/dbraw/zinc/24/14/92/303241492.db2.gz 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CCCNC(=O)C[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074740411 441460745 /nfs/dbraw/zinc/46/07/45/441460745.db2.gz OYISURCJXMATTL-UHFFFAOYSA-N 1 1 335.408 1.701 20 5 EDBDMO Cc1cc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ncc1[N+](=O)[O-] ZINC000074748920 441462976 /nfs/dbraw/zinc/46/29/76/441462976.db2.gz ZUADQGPFASZITC-HNNXBMFYSA-N 1 1 333.436 1.905 20 5 EDBDMO C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000031353450 441522826 /nfs/dbraw/zinc/52/28/26/441522826.db2.gz XIXYJUYQZOHPFF-SSDOTTSWSA-N 1 1 334.361 1.669 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000066050746 441501559 /nfs/dbraw/zinc/50/15/59/441501559.db2.gz SSIZYTHONKUUSI-GFCCVEGCSA-N 1 1 337.424 1.726 20 5 EDBDMO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(C)o1 ZINC000090552368 441634726 /nfs/dbraw/zinc/63/47/26/441634726.db2.gz BKJCPFNYIOWZLQ-UHFFFAOYSA-N 1 1 335.360 1.807 20 5 EDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(C)o1 ZINC000090552368 441634730 /nfs/dbraw/zinc/63/47/30/441634730.db2.gz BKJCPFNYIOWZLQ-UHFFFAOYSA-N 1 1 335.360 1.807 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1C ZINC000091028706 441650621 /nfs/dbraw/zinc/65/06/21/441650621.db2.gz LDNWQWXDYTYVPO-UHFFFAOYSA-N 1 1 327.406 1.538 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@H+](C)CC2)c1C ZINC000091028706 441650622 /nfs/dbraw/zinc/65/06/22/441650622.db2.gz LDNWQWXDYTYVPO-UHFFFAOYSA-N 1 1 327.406 1.538 20 5 EDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+](CCc2cccs2)CC1 ZINC000055645083 441659057 /nfs/dbraw/zinc/65/90/57/441659057.db2.gz LOEISWLYVMIQFY-UHFFFAOYSA-N 1 1 349.416 1.240 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000068279590 441767426 /nfs/dbraw/zinc/76/74/26/441767426.db2.gz BVVLKACNAPIZPP-CYBMUJFWSA-N 1 1 349.387 1.634 20 5 EDBDMO CC(C)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000043008719 441807855 /nfs/dbraw/zinc/80/78/55/441807855.db2.gz XLQCLENUXJAHDO-UHFFFAOYSA-N 1 1 336.348 1.917 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CC[N@@H+]1CCO[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000156881021 442529250 /nfs/dbraw/zinc/52/92/50/442529250.db2.gz BDVSTCRUKPNZCE-MRXNPFEDSA-N 1 1 333.388 1.807 20 5 EDBDMO CC[N@H+]1CCO[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000156881021 442529253 /nfs/dbraw/zinc/52/92/53/442529253.db2.gz BDVSTCRUKPNZCE-MRXNPFEDSA-N 1 1 333.388 1.807 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000173022159 442588089 /nfs/dbraw/zinc/58/80/89/442588089.db2.gz JFSKNJAJNADRLT-VIFPVBQESA-N 1 1 331.419 1.419 20 5 EDBDMO COc1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000135423336 442594334 /nfs/dbraw/zinc/59/43/34/442594334.db2.gz AYWOJYFHJZHWIJ-UHFFFAOYSA-N 1 1 348.403 1.983 20 5 EDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180840391 442663985 /nfs/dbraw/zinc/66/39/85/442663985.db2.gz WSFLRCHPSMXSRD-JTQLQIEISA-N 1 1 333.344 1.538 20 5 EDBDMO COCCOC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194023144 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COCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000194584102 442918019 /nfs/dbraw/zinc/91/80/19/442918019.db2.gz LNEXRVIFWKZLKB-ZDUSSCGKSA-N 1 1 336.392 1.186 20 5 EDBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000194700001 442939129 /nfs/dbraw/zinc/93/91/29/442939129.db2.gz BSJNUIBTEODJRS-HNNXBMFYSA-N 1 1 329.360 1.605 20 5 EDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000186612090 318551013 /nfs/dbraw/zinc/55/10/13/318551013.db2.gz SYXJFICYPIDRJO-ZDUSSCGKSA-N 1 1 345.359 1.732 20 5 EDBDMO NC(=O)c1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000184122410 442994034 /nfs/dbraw/zinc/99/40/34/442994034.db2.gz PVAUBISKLATGGK-UHFFFAOYSA-N 1 1 349.387 1.323 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000184122410 442994038 /nfs/dbraw/zinc/99/40/38/442994038.db2.gz PVAUBISKLATGGK-UHFFFAOYSA-N 1 1 349.387 1.323 20 5 EDBDMO Cc1ccc(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000268539830 443026780 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1 1 337.351 1.528 20 5 EDBDMO O=C(C[NH2+][C@@H](CCO)c1ccco1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000185090397 443134625 /nfs/dbraw/zinc/13/46/25/443134625.db2.gz YMTUYQPUBVEUGO-AWEZNQCLSA-N 1 1 345.355 1.790 20 5 EDBDMO COCC[N@@H+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000255904818 443114169 /nfs/dbraw/zinc/11/41/69/443114169.db2.gz KGPPCFAHTMPHRA-AFNCTOJWSA-N 1 1 333.388 1.787 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000255904818 443114170 /nfs/dbraw/zinc/11/41/70/443114170.db2.gz KGPPCFAHTMPHRA-AFNCTOJWSA-N 1 1 333.388 1.787 20 5 EDBDMO COc1ccc([C@H](C)[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266401741 443117229 /nfs/dbraw/zinc/11/72/29/443117229.db2.gz FAAAXDRRYLNXFH-WFASDCNBSA-N 1 1 334.376 1.854 20 5 EDBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H]1c1ccccc1 ZINC000185655578 443233917 /nfs/dbraw/zinc/23/39/17/443233917.db2.gz JSGWSWYGEBJAKV-CABCVRRESA-N 1 1 341.371 1.747 20 5 EDBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000191082430 443237714 /nfs/dbraw/zinc/23/77/14/443237714.db2.gz PJMVNHQIMLJAKX-UHFFFAOYSA-N 1 1 345.808 1.717 20 5 EDBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000191082485 443237783 /nfs/dbraw/zinc/23/77/83/443237783.db2.gz FIMUWCODQSALKJ-UHFFFAOYSA-N 1 1 345.808 1.717 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2CCC[N@H+]2C)c1F ZINC000411618394 319189328 /nfs/dbraw/zinc/18/93/28/319189328.db2.gz MUNLIFJYFGGZEZ-SNVBAGLBSA-N 1 1 325.340 1.495 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000411868304 319209794 /nfs/dbraw/zinc/20/97/94/319209794.db2.gz YPVKWUKQMXMXAB-RDJZCZTQSA-N 1 1 336.388 1.835 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000411868304 319209796 /nfs/dbraw/zinc/20/97/96/319209796.db2.gz YPVKWUKQMXMXAB-RDJZCZTQSA-N 1 1 336.388 1.835 20 5 EDBDMO COc1ccc(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272447520 443320399 /nfs/dbraw/zinc/32/03/99/443320399.db2.gz MBWSUMJEPNDUCX-HIFRSBDPSA-N 1 1 348.403 1.839 20 5 EDBDMO CNC(=O)c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000278482000 443344830 /nfs/dbraw/zinc/34/48/30/443344830.db2.gz FTNJVAJANKGXNG-UHFFFAOYSA-N 1 1 330.348 1.004 20 5 EDBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000264715416 443388728 /nfs/dbraw/zinc/38/87/28/443388728.db2.gz FMMBDHSLKJIGDC-UHFFFAOYSA-N 1 1 326.422 1.366 20 5 EDBDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000278716509 443411879 /nfs/dbraw/zinc/41/18/79/443411879.db2.gz PBNSRHGJCMEYHM-YOEHRIQHSA-N 1 1 338.404 1.749 20 5 EDBDMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@H+]1C[C@@H](C)O ZINC000264788946 443425801 /nfs/dbraw/zinc/42/58/01/443425801.db2.gz RWOVWOKLEHYABB-GHMZBOCLSA-N 1 1 335.364 1.412 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278789122 443439942 /nfs/dbraw/zinc/43/99/42/443439942.db2.gz WJXKXCMUHCASQK-UHFFFAOYSA-N 1 1 346.391 1.708 20 5 EDBDMO COC(=O)c1cc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000273073787 443532079 /nfs/dbraw/zinc/53/20/79/443532079.db2.gz ZWNPQPMLBXDYSK-LLVKDONJSA-N 1 1 347.371 1.762 20 5 EDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000440864191 320084745 /nfs/dbraw/zinc/08/47/45/320084745.db2.gz MLIOKMSELPXQQV-NSHDSACASA-N 1 1 343.405 1.366 20 5 EDBDMO CCOCCOCC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000276303892 443684783 /nfs/dbraw/zinc/68/47/83/443684783.db2.gz WBWJFNZTMGGEQP-OAHLLOKOSA-N 1 1 342.392 1.319 20 5 EDBDMO CO[C@@]1(C)CCC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000281168961 443837321 /nfs/dbraw/zinc/83/73/21/443837321.db2.gz PTELJTRPVOTXCK-YOEHRIQHSA-N 1 1 347.371 1.728 20 5 EDBDMO CO[C@@]1(C)CCC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000281168961 443837325 /nfs/dbraw/zinc/83/73/25/443837325.db2.gz PTELJTRPVOTXCK-YOEHRIQHSA-N 1 1 347.371 1.728 20 5 EDBDMO O=C(NCCCO)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000298864538 443888291 /nfs/dbraw/zinc/88/82/91/443888291.db2.gz LCULVMLKVNMVFY-UHFFFAOYSA-N 1 1 327.406 1.367 20 5 EDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000285152129 443874668 /nfs/dbraw/zinc/87/46/68/443874668.db2.gz MAUZSOHXAJSRTD-LLVKDONJSA-N 1 1 329.360 1.495 20 5 EDBDMO C[N@H+]1CCN(CCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1(C)C ZINC000281784706 444004937 /nfs/dbraw/zinc/00/49/37/444004937.db2.gz KSQBWGOTWOTJTJ-UHFFFAOYSA-N 1 1 336.396 1.137 20 5 EDBDMO CNC(=O)c1ccc(NCCC[N@@H+](C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000288829152 443993156 /nfs/dbraw/zinc/99/31/56/443993156.db2.gz HYNSLROFKDFCMX-UHFFFAOYSA-N 1 1 337.424 1.250 20 5 EDBDMO CNC(=O)c1ccc(NCCCN(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000288829152 443993161 /nfs/dbraw/zinc/99/31/61/443993161.db2.gz HYNSLROFKDFCMX-UHFFFAOYSA-N 1 1 337.424 1.250 20 5 EDBDMO CCOc1cc(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281941880 444045187 /nfs/dbraw/zinc/04/51/87/444045187.db2.gz FAXHOKQFVPURGS-KBPBESRZSA-N 1 1 337.420 1.880 20 5 EDBDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000285499664 444008497 /nfs/dbraw/zinc/00/84/97/444008497.db2.gz FCWOYLOWQSDBFH-LBPRGKRZSA-N 1 1 325.369 1.392 20 5 EDBDMO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000282062242 444076334 /nfs/dbraw/zinc/07/63/34/444076334.db2.gz BPEUJTHWUFFHPM-JOYOIKCWSA-N 1 1 331.332 1.402 20 5 EDBDMO COc1cccc([C@H]2C[C@@H](O)C[N@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000282070285 444078666 /nfs/dbraw/zinc/07/86/66/444078666.db2.gz HBSQDADBHATNKQ-GDBMZVCRSA-N 1 1 332.360 1.608 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCN(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000289217909 444079261 /nfs/dbraw/zinc/07/92/61/444079261.db2.gz YZMLUBPKSPFYAJ-UHFFFAOYSA-N 1 1 340.453 1.624 20 5 EDBDMO CN(CCCN(C)c1nc2sccn2c1[N+](=O)[O-])CC[NH+](C)C ZINC000289217909 444079264 /nfs/dbraw/zinc/07/92/64/444079264.db2.gz YZMLUBPKSPFYAJ-UHFFFAOYSA-N 1 1 340.453 1.624 20 5 EDBDMO O=C(C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000563069674 321092556 /nfs/dbraw/zinc/09/25/56/321092556.db2.gz GTEPRCZJFNSXHG-CJNGLKHVSA-N 1 1 331.372 1.595 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000563069674 321092558 /nfs/dbraw/zinc/09/25/58/321092558.db2.gz GTEPRCZJFNSXHG-CJNGLKHVSA-N 1 1 331.372 1.595 20 5 EDBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000278316165 444138154 /nfs/dbraw/zinc/13/81/54/444138154.db2.gz NEWPXYISGBBHOX-ZBFHGGJFSA-N 1 1 338.404 1.749 20 5 EDBDMO CNS(=O)(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301198452 444153639 /nfs/dbraw/zinc/15/36/39/444153639.db2.gz KZBXYZUICVUUFQ-NSHDSACASA-N 1 1 342.421 1.257 20 5 EDBDMO O=[N+]([O-])c1cnc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)nc1 ZINC000302243533 444210669 /nfs/dbraw/zinc/21/06/69/444210669.db2.gz ZBSQFKZJWJXOJJ-HIFRSBDPSA-N 1 1 329.360 1.432 20 5 EDBDMO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302455949 444213820 /nfs/dbraw/zinc/21/38/20/444213820.db2.gz SZXIYAWZGXADJA-JTQLQIEISA-N 1 1 344.209 1.860 20 5 EDBDMO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302455949 444213822 /nfs/dbraw/zinc/21/38/22/444213822.db2.gz SZXIYAWZGXADJA-JTQLQIEISA-N 1 1 344.209 1.860 20 5 EDBDMO CC1(C)CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302510123 444215177 /nfs/dbraw/zinc/21/51/77/444215177.db2.gz FTHCZHJHGSNSNO-UHFFFAOYSA-N 1 1 325.394 1.197 20 5 EDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000295306720 444176579 /nfs/dbraw/zinc/17/65/79/444176579.db2.gz BLNPDRHRPRFGKY-LBPRGKRZSA-N 1 1 346.387 1.653 20 5 EDBDMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301616776 444182489 /nfs/dbraw/zinc/18/24/89/444182489.db2.gz WATHWWQRBVNWGA-NWDGAFQWSA-N 1 1 331.376 1.743 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)c(C)cc1[N+](=O)[O-] ZINC000576888191 321604947 /nfs/dbraw/zinc/60/49/47/321604947.db2.gz IWQFAFYEZWPQOH-UHFFFAOYSA-N 1 1 327.406 1.584 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000305781344 444280559 /nfs/dbraw/zinc/28/05/59/444280559.db2.gz UMHWOZPWRBCHBK-NSHDSACASA-N 1 1 335.282 1.778 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000325689198 444368068 /nfs/dbraw/zinc/36/80/68/444368068.db2.gz PYSAOSJFOPQBOA-UHFFFAOYSA-N 1 1 337.376 1.132 20 5 EDBDMO C[C@H]1C[C@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[N@H+]1C1CC1 ZINC000290861072 444331488 /nfs/dbraw/zinc/33/14/88/444331488.db2.gz YPBHHJGDIGQXNJ-UWVGGRQHSA-N 1 1 340.405 1.279 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000297786139 444334227 /nfs/dbraw/zinc/33/42/27/444334227.db2.gz AICXFFQVAURDHX-DOMZBBRYSA-N 1 1 346.387 1.394 20 5 EDBDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000298010159 444385712 /nfs/dbraw/zinc/38/57/12/444385712.db2.gz YVRQTGXPFDXADT-CYBMUJFWSA-N 1 1 348.403 1.832 20 5 EDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000341046531 444650926 /nfs/dbraw/zinc/65/09/26/444650926.db2.gz MIKKSNOUOMQQBR-IAQYHMDHSA-N 1 1 337.376 1.635 20 5 EDBDMO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000342355617 444651142 /nfs/dbraw/zinc/65/11/42/444651142.db2.gz OYOHNJIZWVTEHM-MRXNPFEDSA-N 1 1 330.344 1.838 20 5 EDBDMO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000342355617 444651145 /nfs/dbraw/zinc/65/11/45/444651145.db2.gz OYOHNJIZWVTEHM-MRXNPFEDSA-N 1 1 330.344 1.838 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000343887084 444647648 /nfs/dbraw/zinc/64/76/48/444647648.db2.gz FKPUPCPAOGCHAJ-DGCLKSJQSA-N 1 1 336.392 1.885 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000344000570 444720009 /nfs/dbraw/zinc/72/00/09/444720009.db2.gz VGWGZTSLEULYMD-BCUIYNNISA-N 1 1 333.388 1.933 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCN(c2cccnn2)CC1 ZINC000344225859 444849699 /nfs/dbraw/zinc/84/96/99/444849699.db2.gz YRSVXXBQXLSNQN-UHFFFAOYSA-N 1 1 331.380 1.219 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCN(c2cccnn2)CC1 ZINC000344225859 444849703 /nfs/dbraw/zinc/84/97/03/444849703.db2.gz YRSVXXBQXLSNQN-UHFFFAOYSA-N 1 1 331.380 1.219 20 5 EDBDMO C[N@@H+](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000342811153 444876345 /nfs/dbraw/zinc/87/63/45/444876345.db2.gz ZYPZQZGYGADMQZ-UHFFFAOYSA-N 1 1 336.392 1.137 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342922315 444942693 /nfs/dbraw/zinc/94/26/93/444942693.db2.gz WJLCLUGYCSJPFE-NSHDSACASA-N 1 1 332.360 1.527 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000330575069 445042240 /nfs/dbraw/zinc/04/22/40/445042240.db2.gz FWIQYDAQSQBVBR-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000330575069 445042245 /nfs/dbraw/zinc/04/22/45/445042245.db2.gz FWIQYDAQSQBVBR-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2cnn(C[C@@H](O)C[NH+]3CCOCC3)c2)c1 ZINC000343071876 445042864 /nfs/dbraw/zinc/04/28/64/445042864.db2.gz MZWRYCGHOPMCBC-INIZCTEOSA-N 1 1 332.360 1.151 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000330772258 445135278 /nfs/dbraw/zinc/13/52/78/445135278.db2.gz DGBWQAULEXYOGG-ZDUSSCGKSA-N 1 1 341.433 1.913 20 5 EDBDMO Cn1nccc1[C@@H]1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC(=O)N1C ZINC000343445277 445224198 /nfs/dbraw/zinc/22/41/98/445224198.db2.gz DIKPYXRSQXSZFF-YGRLFVJLSA-N 1 1 335.389 1.451 20 5 EDBDMO C[C@@H]1[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCC[N@H+]1C ZINC000343473922 445229629 /nfs/dbraw/zinc/22/96/29/445229629.db2.gz CMQNVIOZAHMNAN-DOMZBBRYSA-N 1 1 343.387 1.993 20 5 EDBDMO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347884781 445253825 /nfs/dbraw/zinc/25/38/25/445253825.db2.gz DHTCIRPXEDJKFT-LBPRGKRZSA-N 1 1 347.371 1.675 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000348846575 445412751 /nfs/dbraw/zinc/41/27/51/445412751.db2.gz BXQJEPMODCIHGG-UHFFFAOYSA-N 1 1 341.327 1.784 20 5 EDBDMO C[C@H]1C[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@H+]1C ZINC000352308162 445519083 /nfs/dbraw/zinc/51/90/83/445519083.db2.gz XCHGTWMHOJPHOG-LSDHHAIUSA-N 1 1 346.431 1.974 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000360135046 445587824 /nfs/dbraw/zinc/58/78/24/445587824.db2.gz OXCNDZUELFTTHN-UHFFFAOYSA-N 1 1 333.348 1.793 20 5 EDBDMO COc1c(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)cccc1[N+](=O)[O-] ZINC000356069080 445600508 /nfs/dbraw/zinc/60/05/08/445600508.db2.gz PLLJOBJTFKIKOI-NSHDSACASA-N 1 1 330.344 1.792 20 5 EDBDMO Cn1ccnc1[C@H]([NH2+]CCCn1ccnn1)c1ccc([N+](=O)[O-])cc1 ZINC000353679489 445704225 /nfs/dbraw/zinc/70/42/25/445704225.db2.gz GYKNPIZTYOZOST-OAHLLOKOSA-N 1 1 341.375 1.689 20 5 EDBDMO C[C@@H]1C(=O)NCCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000349948975 445731257 /nfs/dbraw/zinc/73/12/57/445731257.db2.gz XZILCELOBSTBRL-LLVKDONJSA-N 1 1 348.359 1.103 20 5 EDBDMO C[C@@H]1C(=O)NCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000349948975 445731260 /nfs/dbraw/zinc/73/12/60/445731260.db2.gz XZILCELOBSTBRL-LLVKDONJSA-N 1 1 348.359 1.103 20 5 EDBDMO Cc1nn(C)c(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000363258332 445744204 /nfs/dbraw/zinc/74/42/04/445744204.db2.gz FQHIRTKAKVPNAN-RWMBFGLXSA-N 1 1 333.392 1.193 20 5 EDBDMO COc1cc(C(=O)NCc2c[nH+]c(N(C)C)n2C)cc([N+](=O)[O-])c1C ZINC000358755375 445758888 /nfs/dbraw/zinc/75/88/88/445758888.db2.gz CNVHNNYORMJHCV-UHFFFAOYSA-N 1 1 347.375 1.641 20 5 EDBDMO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000361568122 445824033 /nfs/dbraw/zinc/82/40/33/445824033.db2.gz XARXYCFKYNSRHE-IAQYHMDHSA-N 1 1 338.360 1.433 20 5 EDBDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000361568122 445824038 /nfs/dbraw/zinc/82/40/38/445824038.db2.gz XARXYCFKYNSRHE-IAQYHMDHSA-N 1 1 338.360 1.433 20 5 EDBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361637603 445860381 /nfs/dbraw/zinc/86/03/81/445860381.db2.gz AEYOGQSGVQHPCL-IRXDYDNUSA-N 1 1 348.378 1.955 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000350838452 445924430 /nfs/dbraw/zinc/92/44/30/445924430.db2.gz VDYPNQAJXJMRON-QWHCGFSZSA-N 1 1 341.433 1.492 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000350838452 445924435 /nfs/dbraw/zinc/92/44/35/445924435.db2.gz VDYPNQAJXJMRON-QWHCGFSZSA-N 1 1 341.433 1.492 20 5 EDBDMO Cc1ccc(N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000361795340 445952552 /nfs/dbraw/zinc/95/25/52/445952552.db2.gz BJYWEUATYAUHLL-OAHLLOKOSA-N 1 1 334.420 1.722 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000354176519 445973511 /nfs/dbraw/zinc/97/35/11/445973511.db2.gz YABNYVXWBPWKGX-UHFFFAOYSA-N 1 1 336.392 1.552 20 5 EDBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000356736049 445978533 /nfs/dbraw/zinc/97/85/33/445978533.db2.gz ACVVXHMLVVUQNP-RYUDHWBXSA-N 1 1 335.408 1.711 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000373185372 446085332 /nfs/dbraw/zinc/08/53/32/446085332.db2.gz ZPCRCTHUJBREMC-LSDHHAIUSA-N 1 1 334.372 1.903 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362092539 446207436 /nfs/dbraw/zinc/20/74/36/446207436.db2.gz ABVFUZZQSIYHOL-GRYCIOLGSA-N 1 1 337.376 1.491 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362092539 446207439 /nfs/dbraw/zinc/20/74/39/446207439.db2.gz ABVFUZZQSIYHOL-GRYCIOLGSA-N 1 1 337.376 1.491 20 5 EDBDMO CC1(c2ccccc2F)C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000370519760 446316501 /nfs/dbraw/zinc/31/65/01/446316501.db2.gz ZLVSCNJKSTWSSB-ZDUSSCGKSA-N 1 1 334.351 1.565 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000365814389 446353052 /nfs/dbraw/zinc/35/30/52/446353052.db2.gz IPIZBSBJRFQFEY-HNNXBMFYSA-N 1 1 346.431 1.894 20 5 EDBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ccc(N)cc3[N+](=O)[O-])C2)CC1 ZINC000376217954 446385725 /nfs/dbraw/zinc/38/57/25/446385725.db2.gz HNZJCWSLSCARRA-CYBMUJFWSA-N 1 1 347.419 1.167 20 5 EDBDMO NC(=O)C1([NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CCCC1 ZINC000370796478 446448097 /nfs/dbraw/zinc/44/80/97/446448097.db2.gz SKQNWWBTEPVGTP-UHFFFAOYSA-N 1 1 332.404 1.511 20 5 EDBDMO Cc1nc(CO[C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cs1 ZINC000374864389 446422882 /nfs/dbraw/zinc/42/28/82/446422882.db2.gz RTEQMQHDNHGRQP-CYBMUJFWSA-N 1 1 337.405 1.847 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000376410453 446481313 /nfs/dbraw/zinc/48/13/13/446481313.db2.gz HHLXNFYVCDRUOP-CQSZACIVSA-N 1 1 334.376 1.524 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420315097 446479666 /nfs/dbraw/zinc/47/96/66/446479666.db2.gz ZQUDCVXTMLXENO-CQSZACIVSA-N 1 1 332.404 1.352 20 5 EDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000453587248 446565584 /nfs/dbraw/zinc/56/55/84/446565584.db2.gz RMSZJNACDYLQQG-WWQBKPSDSA-N 1 1 331.372 1.587 20 5 EDBDMO Nc1nccc([C@H]2CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000367214020 446523684 /nfs/dbraw/zinc/52/36/84/446523684.db2.gz QWZOGAZMUIYSFM-BBRMVZONSA-N 1 1 343.387 1.880 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C[NH3+])C(C)(C)C ZINC000420356309 446536004 /nfs/dbraw/zinc/53/60/04/446536004.db2.gz GAYCTCUBQLFMFX-CQSZACIVSA-N 1 1 338.408 1.895 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000375049783 446544939 /nfs/dbraw/zinc/54/49/39/446544939.db2.gz OVDSNZLWSPBKDR-WCQYABFASA-N 1 1 334.376 1.697 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000411448837 446549443 /nfs/dbraw/zinc/54/94/43/446549443.db2.gz FTFQNONOPMUFNA-HNNXBMFYSA-N 1 1 348.403 1.640 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000411448837 446549448 /nfs/dbraw/zinc/54/94/48/446549448.db2.gz FTFQNONOPMUFNA-HNNXBMFYSA-N 1 1 348.403 1.640 20 5 EDBDMO Cc1nc(N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000370974119 446549822 /nfs/dbraw/zinc/54/98/22/446549822.db2.gz CIRSSCONEPFEHN-UHFFFAOYSA-N 1 1 347.419 1.608 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1C ZINC000420760359 446799221 /nfs/dbraw/zinc/79/92/21/446799221.db2.gz FWXZOLLYPRATGR-ZDUSSCGKSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)c1C ZINC000420760358 446800016 /nfs/dbraw/zinc/80/00/16/446800016.db2.gz FWXZOLLYPRATGR-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)c1 ZINC000375471358 446826453 /nfs/dbraw/zinc/82/64/53/446826453.db2.gz SNBDBNUKQZZETM-QGZVFWFLSA-N 1 1 330.388 1.861 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)C1 ZINC000375496989 446848769 /nfs/dbraw/zinc/84/87/69/446848769.db2.gz PGUDSGBFKOMFRD-AWEZNQCLSA-N 1 1 347.419 1.029 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420766697 446804816 /nfs/dbraw/zinc/80/48/16/446804816.db2.gz MHZQXNHKZKPPOA-CYBMUJFWSA-N 1 1 327.406 1.618 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C[C@H]21 ZINC000371533678 446918810 /nfs/dbraw/zinc/91/88/10/446918810.db2.gz IVUKELBLPGBBJY-TVQRCGJNSA-N 1 1 347.400 1.766 20 5 EDBDMO COc1ncc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000375609503 446923156 /nfs/dbraw/zinc/92/31/56/446923156.db2.gz AWIPAKIUSXRMAX-CYBMUJFWSA-N 1 1 332.364 1.735 20 5 EDBDMO COc1ncc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000375609503 446923160 /nfs/dbraw/zinc/92/31/60/446923160.db2.gz AWIPAKIUSXRMAX-CYBMUJFWSA-N 1 1 332.364 1.735 20 5 EDBDMO C[C@@]1([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)NC(=O)NC1=O ZINC000368660749 447013791 /nfs/dbraw/zinc/01/37/91/447013791.db2.gz CWQYBJIVJLCGQD-WBMJQRKESA-N 1 1 332.360 1.405 20 5 EDBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C=CCCC1 ZINC000421034067 447003757 /nfs/dbraw/zinc/00/37/57/447003757.db2.gz YIKZSXNMODVWBL-CYBMUJFWSA-N 1 1 339.417 1.914 20 5 EDBDMO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc([N+](=O)[O-])c1 ZINC000372344572 447041204 /nfs/dbraw/zinc/04/12/04/447041204.db2.gz CRWNVJOSQXBFSW-HOCLYGCPSA-N 1 1 333.388 1.886 20 5 EDBDMO Cc1cc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)cc([N+](=O)[O-])c1 ZINC000372344572 447041216 /nfs/dbraw/zinc/04/12/16/447041216.db2.gz CRWNVJOSQXBFSW-HOCLYGCPSA-N 1 1 333.388 1.886 20 5 EDBDMO Cc1ccc(C(=O)N2CCC([N@H+](C)C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000444392848 447100558 /nfs/dbraw/zinc/10/05/58/447100558.db2.gz PBUWTSLYCXAMIT-ZDUSSCGKSA-N 1 1 335.404 1.820 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000368891072 447184411 /nfs/dbraw/zinc/18/44/11/447184411.db2.gz ZCVZPICEXXQSKN-FZMZJTMJSA-N 1 1 330.348 1.460 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](n2cncn2)C1 ZINC000368891072 447184413 /nfs/dbraw/zinc/18/44/13/447184413.db2.gz ZCVZPICEXXQSKN-FZMZJTMJSA-N 1 1 330.348 1.460 20 5 EDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455765507 447225485 /nfs/dbraw/zinc/22/54/85/447225485.db2.gz BYSMEEZYNIVSAP-LBPRGKRZSA-N 1 1 335.408 1.835 20 5 EDBDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)CCO1 ZINC000372705364 447234665 /nfs/dbraw/zinc/23/46/65/447234665.db2.gz UHVBMLVGALTNOB-LBPRGKRZSA-N 1 1 348.403 1.502 20 5 EDBDMO Cc1cc(=O)n(Cc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000421830246 447262247 /nfs/dbraw/zinc/26/22/47/447262247.db2.gz BGVUVKTZCJZMAR-UHFFFAOYSA-N 1 1 343.383 1.945 20 5 EDBDMO Cc1c([N+](=O)[O-])ccc(=O)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000421842632 447262351 /nfs/dbraw/zinc/26/23/51/447262351.db2.gz OEMVEDHZRJNQKY-UHFFFAOYSA-N 1 1 343.383 1.945 20 5 EDBDMO Cc1nc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)ncc1[N+](=O)[O-] ZINC000450317241 447451944 /nfs/dbraw/zinc/45/19/44/447451944.db2.gz HCQLWPVOBMAHGI-UHFFFAOYSA-N 1 1 331.380 1.139 20 5 EDBDMO Cc1nc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)ncc1[N+](=O)[O-] ZINC000450317241 447451949 /nfs/dbraw/zinc/45/19/49/447451949.db2.gz HCQLWPVOBMAHGI-UHFFFAOYSA-N 1 1 331.380 1.139 20 5 EDBDMO COc1cc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000450786563 447576203 /nfs/dbraw/zinc/57/62/03/447576203.db2.gz ANPHSWNDWILASH-PHIMTYICSA-N 1 1 327.356 1.634 20 5 EDBDMO COc1cc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000450786563 447576206 /nfs/dbraw/zinc/57/62/06/447576206.db2.gz ANPHSWNDWILASH-PHIMTYICSA-N 1 1 327.356 1.634 20 5 EDBDMO Cc1nn(CCC(=O)NCCCC[N@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000457200694 447539294 /nfs/dbraw/zinc/53/92/94/447539294.db2.gz LTCOGIKGAIJXSU-UHFFFAOYSA-N 1 1 337.424 1.789 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000416290652 447555365 /nfs/dbraw/zinc/55/53/65/447555365.db2.gz GXOBGMDYUCMKGF-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000416290652 447555373 /nfs/dbraw/zinc/55/53/73/447555373.db2.gz GXOBGMDYUCMKGF-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@H]1NC(=O)N(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1=O ZINC000459373816 447648635 /nfs/dbraw/zinc/64/86/35/447648635.db2.gz NLEBPZNFDQEBNJ-LLVKDONJSA-N 1 1 332.360 1.500 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000416564121 447648918 /nfs/dbraw/zinc/64/89/18/447648918.db2.gz QLZGHRDMUJZDSC-CYBMUJFWSA-N 1 1 341.433 1.913 20 5 EDBDMO CON1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000459583238 447713191 /nfs/dbraw/zinc/71/31/91/447713191.db2.gz SLHKCUKTKDFDHE-CQSZACIVSA-N 1 1 339.392 1.292 20 5 EDBDMO O=C1OCCN1C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000496678748 447846509 /nfs/dbraw/zinc/84/65/09/447846509.db2.gz DQFSSWSJTVNEQM-CYBMUJFWSA-N 1 1 335.360 1.748 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000522899967 447862812 /nfs/dbraw/zinc/86/28/12/447862812.db2.gz CMCNMEWIYVIAOY-NSHDSACASA-N 1 1 335.360 1.784 20 5 EDBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])C1CC1 ZINC000549327391 447872392 /nfs/dbraw/zinc/87/23/92/447872392.db2.gz LNCRXESNSLUBDC-OAHLLOKOSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[N@H+]1C1CC1 ZINC000531243886 448044924 /nfs/dbraw/zinc/04/49/24/448044924.db2.gz MGLRVSLMRMTTHH-UWVGGRQHSA-N 1 1 333.344 1.679 20 5 EDBDMO CCOCC[NH+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000491737484 448093919 /nfs/dbraw/zinc/09/39/19/448093919.db2.gz IYVIFWOXTMOHMY-FPLPWBNLSA-N 1 1 333.388 1.789 20 5 EDBDMO CC[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000505418374 448117290 /nfs/dbraw/zinc/11/72/90/448117290.db2.gz AXQWJBLYWRPXIJ-CQSZACIVSA-N 1 1 343.387 1.885 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531821406 448153910 /nfs/dbraw/zinc/15/39/10/448153910.db2.gz KHUOTFVGOZEXPP-IINYFYTJSA-N 1 1 347.371 1.579 20 5 EDBDMO CC[NH+]1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531888613 448166767 /nfs/dbraw/zinc/16/67/67/448166767.db2.gz JPTAWKQMPIDYJC-UHFFFAOYSA-N 1 1 335.408 1.137 20 5 EDBDMO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515415553 448310122 /nfs/dbraw/zinc/31/01/22/448310122.db2.gz UKKOZQJEXXNUCT-ZFWWWQNUSA-N 1 1 347.375 1.359 20 5 EDBDMO COC(=O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000577452359 448297744 /nfs/dbraw/zinc/29/77/44/448297744.db2.gz YKMCBUKHAFVKKE-UHFFFAOYSA-N 1 1 338.360 1.628 20 5 EDBDMO COC(=O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000577452359 448297750 /nfs/dbraw/zinc/29/77/50/448297750.db2.gz YKMCBUKHAFVKKE-UHFFFAOYSA-N 1 1 338.360 1.628 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000591756101 448482648 /nfs/dbraw/zinc/48/26/48/448482648.db2.gz MZTNLNUGNGVQBQ-OLZOCXBDSA-N 1 1 332.360 1.725 20 5 EDBDMO O=C(CC[NH2+][C@@H]1CCc2[nH]cnc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000574513549 448890094 /nfs/dbraw/zinc/89/00/94/448890094.db2.gz UBEHVXXNSXYLBQ-LLVKDONJSA-N 1 1 329.360 1.794 20 5 EDBDMO CCc1ccc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864004 448943488 /nfs/dbraw/zinc/94/34/88/448943488.db2.gz VTXUINDPORQELZ-LSDHHAIUSA-N 1 1 333.388 1.438 20 5 EDBDMO C[N@H+]1C[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592881091 449033935 /nfs/dbraw/zinc/03/39/35/449033935.db2.gz KHIPLTRZYYFYEV-OLZOCXBDSA-N 1 1 329.360 1.393 20 5 EDBDMO C[N@@H+]1C[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592881091 449033939 /nfs/dbraw/zinc/03/39/39/449033939.db2.gz KHIPLTRZYYFYEV-OLZOCXBDSA-N 1 1 329.360 1.393 20 5 EDBDMO C[N@H+]1C[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592881091 449033944 /nfs/dbraw/zinc/03/39/44/449033944.db2.gz KHIPLTRZYYFYEV-OLZOCXBDSA-N 1 1 329.360 1.393 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000595635908 449093436 /nfs/dbraw/zinc/09/34/36/449093436.db2.gz OMDNBQROHZYLSR-XGUBFFRZSA-N 1 1 336.388 1.427 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000590011672 449096358 /nfs/dbraw/zinc/09/63/58/449096358.db2.gz LRQHSOISGNEXLU-BBRMVZONSA-N 1 1 330.388 1.120 20 5 EDBDMO CC(C)C[N@@H+](C)CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000593616359 449110335 /nfs/dbraw/zinc/11/03/35/449110335.db2.gz LEKAKFNQRHNFIG-UHFFFAOYSA-N 1 1 329.422 1.851 20 5 EDBDMO Nc1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)nc1[N+](=O)[O-] ZINC000590575480 449199051 /nfs/dbraw/zinc/19/90/51/449199051.db2.gz GWGFBEAINQREGM-UHFFFAOYSA-N 1 1 329.360 1.600 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595836620 449199259 /nfs/dbraw/zinc/19/92/59/449199259.db2.gz XGFZMFPZVNDZRG-CHWSQXEVSA-N 1 1 347.371 1.861 20 5 EDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595848284 449205519 /nfs/dbraw/zinc/20/55/19/449205519.db2.gz GTHISKIYIXOTDC-VDISTLRHSA-N 1 1 335.360 1.807 20 5 EDBDMO COCC1([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCOCC1 ZINC000590601328 449215401 /nfs/dbraw/zinc/21/54/01/449215401.db2.gz SERLTPNKCCLTPU-UHFFFAOYSA-N 1 1 348.359 1.930 20 5 EDBDMO Cc1c(C(=O)N[C@H]2CCC[N@H+](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000604198959 449190775 /nfs/dbraw/zinc/19/07/75/449190775.db2.gz MTKFHHWMGZTBIE-LBPRGKRZSA-N 1 1 344.375 1.308 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000590566211 449193627 /nfs/dbraw/zinc/19/36/27/449193627.db2.gz VOOCOORTUDGNTL-CVEARBPZSA-N 1 1 333.388 1.838 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000604489617 449238194 /nfs/dbraw/zinc/23/81/94/449238194.db2.gz RAXURTIMSJGRNO-KRWDZBQOSA-N 1 1 347.415 1.851 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000595912245 449249264 /nfs/dbraw/zinc/24/92/64/449249264.db2.gz XNSQIDVDKKNLBM-BLDCVEFLSA-N 1 1 328.372 1.773 20 5 EDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000600310961 449314034 /nfs/dbraw/zinc/31/40/34/449314034.db2.gz MBEIVIBPUIHBKU-LBPRGKRZSA-N 1 1 349.387 1.828 20 5 EDBDMO O=[N+]([O-])c1cccc(Br)c1N1CCC[N@@H+](CCO)CC1 ZINC000596112613 449368280 /nfs/dbraw/zinc/36/82/80/449368280.db2.gz BZIVMBIBOGVUEP-UHFFFAOYSA-N 1 1 344.209 1.862 20 5 EDBDMO O=[N+]([O-])c1cccc(Br)c1N1CCC[N@H+](CCO)CC1 ZINC000596112613 449368287 /nfs/dbraw/zinc/36/82/87/449368287.db2.gz BZIVMBIBOGVUEP-UHFFFAOYSA-N 1 1 344.209 1.862 20 5 EDBDMO C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000602132405 449370891 /nfs/dbraw/zinc/37/08/91/449370891.db2.gz FQDSISJKLOOBSI-WBMJQRKESA-N 1 1 333.388 1.805 20 5 EDBDMO C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000602132405 449370893 /nfs/dbraw/zinc/37/08/93/449370893.db2.gz FQDSISJKLOOBSI-WBMJQRKESA-N 1 1 333.388 1.805 20 5 EDBDMO NC(=O)c1cc(N2CCCC[C@@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596120739 449373407 /nfs/dbraw/zinc/37/34/07/449373407.db2.gz SIZQYOJLGKHAPI-CQSZACIVSA-N 1 1 348.403 1.385 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596307828 449467518 /nfs/dbraw/zinc/46/75/18/449467518.db2.gz FGWRIVKERSZIDY-NSHDSACASA-N 1 1 342.421 1.527 20 5 EDBDMO CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000600662995 449479630 /nfs/dbraw/zinc/47/96/30/449479630.db2.gz ZFSAKVOOZXFAGP-RWMBFGLXSA-N 1 1 337.376 1.902 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598592628 449480835 /nfs/dbraw/zinc/48/08/35/449480835.db2.gz KJNNBVJKGHBCMP-LBPRGKRZSA-N 1 1 338.412 1.364 20 5 EDBDMO COCC[N@H+]1CCC[C@@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598594479 449481405 /nfs/dbraw/zinc/48/14/05/449481405.db2.gz KTAYFXNRWGBGON-LLVKDONJSA-N 1 1 338.364 1.299 20 5 EDBDMO CC(C)(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000594394309 449490839 /nfs/dbraw/zinc/49/08/39/449490839.db2.gz WYWWCJYXOLWNFC-LSDHHAIUSA-N 1 1 333.388 1.150 20 5 EDBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC([N@H+]3CC[C@H](O)C3)CC2)s1 ZINC000596541548 449546553 /nfs/dbraw/zinc/54/65/53/449546553.db2.gz ZBFUPPAOQGHAEB-NSHDSACASA-N 1 1 349.416 1.635 20 5 EDBDMO CNc1nccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594417693 449504625 /nfs/dbraw/zinc/50/46/25/449504625.db2.gz FBKUBXJXILFYRL-STQMWFEESA-N 1 1 333.392 1.778 20 5 EDBDMO C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCOCC1 ZINC000602549781 449667890 /nfs/dbraw/zinc/66/78/90/449667890.db2.gz DUWKEGNNUYHAAX-GFCCVEGCSA-N 1 1 334.376 1.794 20 5 EDBDMO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000594714562 449642448 /nfs/dbraw/zinc/64/24/48/449642448.db2.gz PCMLTXLTQOUNQD-NSHDSACASA-N 1 1 326.349 1.461 20 5 EDBDMO CC[N@@H+]1CCO[C@H](CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601112807 449697250 /nfs/dbraw/zinc/69/72/50/449697250.db2.gz GHCJELOTJSDREH-MRVPVSSYSA-N 1 1 337.302 1.480 20 5 EDBDMO CC[N@H+]1CCO[C@H](CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601112807 449697255 /nfs/dbraw/zinc/69/72/55/449697255.db2.gz GHCJELOTJSDREH-MRVPVSSYSA-N 1 1 337.302 1.480 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CC[NH+](CCCF)CC2)c1[N+](=O)[O-] ZINC000599094813 449728876 /nfs/dbraw/zinc/72/88/76/449728876.db2.gz YKHYUZHJFJYUOL-UHFFFAOYSA-N 1 1 340.355 1.566 20 5 EDBDMO O=[N+]([O-])c1sc(C[NH2+]C2COCCOC2)cc1Br ZINC000602670967 449740700 /nfs/dbraw/zinc/74/07/00/449740700.db2.gz IGWSXVGHHDXAJS-UHFFFAOYSA-N 1 1 337.195 1.924 20 5 EDBDMO COC(=O)[C@](C)(NCc1c[nH+]c(C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000602737080 449775999 /nfs/dbraw/zinc/77/59/99/449775999.db2.gz SXELZWXLYQGLRE-MRXNPFEDSA-N 1 1 332.360 1.815 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000602776877 449800739 /nfs/dbraw/zinc/80/07/39/449800739.db2.gz AUAYSKBTLGPPNZ-QHCPKHFHSA-N 1 1 336.417 1.969 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000602776877 449800743 /nfs/dbraw/zinc/80/07/43/449800743.db2.gz AUAYSKBTLGPPNZ-QHCPKHFHSA-N 1 1 336.417 1.969 20 5 EDBDMO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000602847193 449854647 /nfs/dbraw/zinc/85/46/47/449854647.db2.gz JEIGVPBKYIYWEN-FRRDWIJNSA-N 1 1 348.403 1.863 20 5 EDBDMO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000602847193 449854652 /nfs/dbraw/zinc/85/46/52/449854652.db2.gz JEIGVPBKYIYWEN-FRRDWIJNSA-N 1 1 348.403 1.863 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000595090902 449865545 /nfs/dbraw/zinc/86/55/45/449865545.db2.gz KXSWUMZJTHXCSW-ZDUSSCGKSA-N 1 1 348.403 1.831 20 5 EDBDMO CC[N@@H+]1[C@H](C)CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000602873344 449880988 /nfs/dbraw/zinc/88/09/88/449880988.db2.gz HHUAXTNPECHXCQ-OKILXGFUSA-N 1 1 334.420 1.972 20 5 EDBDMO C[N@@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602903657 449909412 /nfs/dbraw/zinc/90/94/12/449909412.db2.gz GOCNKDFORVKYDF-GFCCVEGCSA-N 1 1 344.209 1.466 20 5 EDBDMO C[N@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602903657 449909414 /nfs/dbraw/zinc/90/94/14/449909414.db2.gz GOCNKDFORVKYDF-GFCCVEGCSA-N 1 1 344.209 1.466 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000609157635 449971045 /nfs/dbraw/zinc/97/10/45/449971045.db2.gz LQCYMURTEMWUBJ-AWEZNQCLSA-N 1 1 329.360 1.727 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[C@H](C)[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000601468167 449991741 /nfs/dbraw/zinc/99/17/41/449991741.db2.gz JTTQBLCABCYOGL-QWRGUYRKSA-N 1 1 345.396 1.803 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599562463 450063110 /nfs/dbraw/zinc/06/31/10/450063110.db2.gz IDYJAIHMMZSGCB-INIZCTEOSA-N 1 1 338.360 1.757 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599562463 450063116 /nfs/dbraw/zinc/06/31/16/450063116.db2.gz IDYJAIHMMZSGCB-INIZCTEOSA-N 1 1 338.360 1.757 20 5 EDBDMO CS(=O)(=O)c1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384357 450022591 /nfs/dbraw/zinc/02/25/91/450022591.db2.gz NEHPPDPQOGFNSI-LBPRGKRZSA-N 1 1 339.417 1.895 20 5 EDBDMO CS(=O)(=O)c1ccc(N[C@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384357 450022595 /nfs/dbraw/zinc/02/25/95/450022595.db2.gz NEHPPDPQOGFNSI-LBPRGKRZSA-N 1 1 339.417 1.895 20 5 EDBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000609467500 450031853 /nfs/dbraw/zinc/03/18/53/450031853.db2.gz QTOXWSZSJLUWSS-DZGCQCFKSA-N 1 1 348.403 1.900 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC1(C)COC1 ZINC000599571974 450075116 /nfs/dbraw/zinc/07/51/16/450075116.db2.gz ZAKYEGXXUIZBFO-UHFFFAOYSA-N 1 1 337.376 1.900 20 5 EDBDMO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000615293350 450051167 /nfs/dbraw/zinc/05/11/67/450051167.db2.gz UPRBEQQYTJSHMO-GHMZBOCLSA-N 1 1 331.369 1.495 20 5 EDBDMO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609559189 450051607 /nfs/dbraw/zinc/05/16/07/450051607.db2.gz AJVFVBNKCXIPKM-CQSZACIVSA-N 1 1 349.435 1.174 20 5 EDBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@H]1CCOC1 ZINC000609631602 450076984 /nfs/dbraw/zinc/07/69/84/450076984.db2.gz FHLZMQQQRAFZPQ-GFCCVEGCSA-N 1 1 337.376 1.900 20 5 EDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597574703 450118902 /nfs/dbraw/zinc/11/89/02/450118902.db2.gz GQWKNACAQOTNAP-CHWSQXEVSA-N 1 1 337.351 1.618 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])c1 ZINC000599680887 450148180 /nfs/dbraw/zinc/14/81/80/450148180.db2.gz JEHRHKKTLGQPPL-UXEPBGEESA-N 1 1 349.387 1.777 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])c1 ZINC000599680887 450148181 /nfs/dbraw/zinc/14/81/81/450148181.db2.gz JEHRHKKTLGQPPL-UXEPBGEESA-N 1 1 349.387 1.777 20 5 EDBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599695411 450159132 /nfs/dbraw/zinc/15/91/32/450159132.db2.gz YDEKGVCEQJFGBS-STQMWFEESA-N 1 1 341.433 1.917 20 5 EDBDMO Cc1noc(C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595542974 450220154 /nfs/dbraw/zinc/22/01/54/450220154.db2.gz GXIWQMDKOSIULZ-MRXNPFEDSA-N 1 1 330.344 1.520 20 5 EDBDMO COc1c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000619435070 450472409 /nfs/dbraw/zinc/47/24/09/450472409.db2.gz OHPOHGNTUGASSX-ZFWWWQNUSA-N 1 1 349.387 1.275 20 5 EDBDMO Cc1c(CC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000184352944 533834822 /nfs/dbraw/zinc/83/48/22/533834822.db2.gz QNFRAYDSJDMIMQ-AWEZNQCLSA-N 1 1 348.447 1.588 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000184371875 533919173 /nfs/dbraw/zinc/91/91/73/533919173.db2.gz NOVTWZOWDZKVEU-LLVKDONJSA-N 1 1 326.422 1.412 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000343567627 534909848 /nfs/dbraw/zinc/90/98/48/534909848.db2.gz JNGMOVRVMKUCIE-AWEZNQCLSA-N 1 1 349.387 1.986 20 5 EDBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000173789965 527802260 /nfs/dbraw/zinc/80/22/60/527802260.db2.gz ALFWMKAYWDEWCF-BFHYXJOUSA-N 1 1 326.397 1.288 20 5 EDBDMO CC1([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)OCCO1 ZINC000183827308 528058198 /nfs/dbraw/zinc/05/81/98/528058198.db2.gz HSDQXYPAMCLXPL-ZDUSSCGKSA-N 1 1 337.376 1.232 20 5 EDBDMO CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000245464671 535227947 /nfs/dbraw/zinc/22/79/47/535227947.db2.gz IBIHGPQAELLKJH-TZMCWYRMSA-N 1 1 333.392 1.485 20 5 EDBDMO CC(C)N1CC[C@@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000245464671 535227948 /nfs/dbraw/zinc/22/79/48/535227948.db2.gz IBIHGPQAELLKJH-TZMCWYRMSA-N 1 1 333.392 1.485 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248161204 536377284 /nfs/dbraw/zinc/37/72/84/536377284.db2.gz SEFODUPWSJNXTC-UKRRQHHQSA-N 1 1 332.404 1.949 20 5 EDBDMO C[NH2+][C@H](C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000262033717 536387266 /nfs/dbraw/zinc/38/72/66/536387266.db2.gz FHHAXJZUXVBJIB-ZDUSSCGKSA-N 1 1 347.331 1.014 20 5 EDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000264017961 536419088 /nfs/dbraw/zinc/41/90/88/536419088.db2.gz LJFBPYMVABAQDO-AEFFLSMTSA-N 1 1 346.383 2.000 20 5 EDBDMO COc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000261734387 536725644 /nfs/dbraw/zinc/72/56/44/536725644.db2.gz NDSJNJGVXNKZBZ-CYBMUJFWSA-N 1 1 345.359 1.124 20 5 EDBDMO CN(Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000742147453 579436350 /nfs/dbraw/zinc/43/63/50/579436350.db2.gz IJFHVQPYIKMFFZ-OAHLLOKOSA-N 1 1 342.403 1.979 20 5 EDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000742236722 579444073 /nfs/dbraw/zinc/44/40/73/579444073.db2.gz DUHOMHGMSSXZID-ZDUSSCGKSA-N 1 1 343.387 1.995 20 5 EDBDMO CC[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000729921187 578599850 /nfs/dbraw/zinc/59/98/50/578599850.db2.gz RUMYBIHTMPZPMA-CHWSQXEVSA-N 1 1 333.392 1.524 20 5 EDBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000732042788 578688175 /nfs/dbraw/zinc/68/81/75/578688175.db2.gz FUGMRCBRGQIZFN-AWEZNQCLSA-N 1 1 330.388 1.771 20 5 EDBDMO Cc1nn(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000732191545 578696547 /nfs/dbraw/zinc/69/65/47/578696547.db2.gz QTRNDXOSVDJIGF-CQSZACIVSA-N 1 1 335.408 1.700 20 5 EDBDMO Cc1nn(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000732191545 578696548 /nfs/dbraw/zinc/69/65/48/578696548.db2.gz QTRNDXOSVDJIGF-CQSZACIVSA-N 1 1 335.408 1.700 20 5 EDBDMO C[C@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C ZINC000751930845 579828439 /nfs/dbraw/zinc/82/84/39/579828439.db2.gz VFKOQAWKGPDDTC-BWACUDIHSA-N 1 1 346.387 1.907 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000762334971 580072391 /nfs/dbraw/zinc/07/23/91/580072391.db2.gz SHHLIVIEZGVKCJ-CYBMUJFWSA-N 1 1 337.376 1.315 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCOC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000762334971 580072392 /nfs/dbraw/zinc/07/23/92/580072392.db2.gz SHHLIVIEZGVKCJ-CYBMUJFWSA-N 1 1 337.376 1.315 20 5 EDBDMO CN(C)c1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000770443205 580260552 /nfs/dbraw/zinc/26/05/52/580260552.db2.gz IYWIYGCDEJTRAV-UHFFFAOYSA-N 1 1 329.364 1.172 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000781995988 580562962 /nfs/dbraw/zinc/56/29/62/580562962.db2.gz SMWRGWAHGNMUAK-MLGOLLRUSA-N 1 1 346.387 1.546 20 5 EDBDMO C/C(=C\C(=O)NCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000784972027 580633190 /nfs/dbraw/zinc/63/31/90/580633190.db2.gz FVZIGOUZNWUIOS-BUHFOSPRSA-N 1 1 333.388 1.837 20 5 EDBDMO C[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000790361660 580767597 /nfs/dbraw/zinc/76/75/97/580767597.db2.gz ZRVCKFJSOAKSKT-BBRMVZONSA-N 1 1 336.388 1.898 20 5 EDBDMO C[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000790361660 580767598 /nfs/dbraw/zinc/76/75/98/580767598.db2.gz ZRVCKFJSOAKSKT-BBRMVZONSA-N 1 1 336.388 1.898 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1F ZINC000790868924 580780344 /nfs/dbraw/zinc/78/03/44/580780344.db2.gz XIBTYAVVWMAQSR-ZWNOBZJWSA-N 1 1 325.340 1.491 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1F ZINC000790868924 580780345 /nfs/dbraw/zinc/78/03/45/580780345.db2.gz XIBTYAVVWMAQSR-ZWNOBZJWSA-N 1 1 325.340 1.491 20 5 EDBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)c3ccc(F)cn3)CC2)c1 ZINC000799295793 581024308 /nfs/dbraw/zinc/02/43/08/581024308.db2.gz YOEUSQLZEVKTTM-KRWDZBQOSA-N 1 1 346.362 1.985 20 5 EDBDMO CC(=O)N1CC[NH+]([C@H]2CN(c3cc(N)ccc3[N+](=O)[O-])C[C@H]2C)CC1 ZINC000800857261 581059907 /nfs/dbraw/zinc/05/99/07/581059907.db2.gz LKAICRDBFDZVGC-PXAZEXFGSA-N 1 1 347.419 1.166 20 5 EDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893093605 590656601 /nfs/dbraw/zinc/65/66/01/590656601.db2.gz VEIADDZAOKVWKU-NWDGAFQWSA-N 1 1 330.388 1.976 20 5 EDBDMO CCc1ccc(C(=O)N2CCN(C)CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000888991201 590976004 /nfs/dbraw/zinc/97/60/04/590976004.db2.gz SQJYKXFRXOPTMF-UHFFFAOYSA-N 1 1 334.420 1.477 20 5 EDBDMO CCc1ccc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000888991201 590976007 /nfs/dbraw/zinc/97/60/07/590976007.db2.gz SQJYKXFRXOPTMF-UHFFFAOYSA-N 1 1 334.420 1.477 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000891746123 591208212 /nfs/dbraw/zinc/20/82/12/591208212.db2.gz PNLVSJGMDCSFHY-UHFFFAOYSA-N 1 1 330.392 1.562 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000891788759 591225180 /nfs/dbraw/zinc/22/51/80/591225180.db2.gz GXDKRRMTYAIOKD-UHFFFAOYSA-N 1 1 348.382 1.702 20 5 EDBDMO COc1c(O)ccc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894953665 591498541 /nfs/dbraw/zinc/49/85/41/591498541.db2.gz HDOGLCLPPQDBSE-RYUDHWBXSA-N 1 1 339.392 1.196 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC([NH+]3CCOCC3)C2)c1C ZINC000898094224 591774934 /nfs/dbraw/zinc/77/49/34/591774934.db2.gz HUEJQBZGYCPQTH-UHFFFAOYSA-N 1 1 333.388 1.805 20 5 EDBDMO C[N@H+]1CCC[C@](O)(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901015490 592197476 /nfs/dbraw/zinc/19/74/76/592197476.db2.gz CHSIWVMOTQOTQK-HNNXBMFYSA-N 1 1 341.795 1.711 20 5 EDBDMO CC[N@H+]1[C@H](C)CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000905160419 592428752 /nfs/dbraw/zinc/42/87/52/592428752.db2.gz ARASBTVVMBCGDE-TXEJJXNPSA-N 1 1 334.376 1.474 20 5 EDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000905160419 592428757 /nfs/dbraw/zinc/42/87/57/592428757.db2.gz ARASBTVVMBCGDE-TXEJJXNPSA-N 1 1 334.376 1.474 20 5 EDBDMO Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC000905702003 592615432 /nfs/dbraw/zinc/61/54/32/592615432.db2.gz CCRRXEVAHUUVDD-GASCZTMLSA-N 1 1 331.420 1.703 20 5 EDBDMO Cc1cc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c([N+](=O)[O-])s1 ZINC000907564227 592711090 /nfs/dbraw/zinc/71/10/90/592711090.db2.gz LZGPWXIUMXBENC-MFKMUULPSA-N 1 1 345.446 1.537 20 5 EDBDMO Cc1c(CNC(=O)CC[NH+]2CCN(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000907696227 592760303 /nfs/dbraw/zinc/76/03/03/592760303.db2.gz SULKBMQFHLLHMP-UHFFFAOYSA-N 1 1 348.447 1.936 20 5 EDBDMO C[C@@H](CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)[N@@H+](C)C1CC1 ZINC000906542470 592847531 /nfs/dbraw/zinc/84/75/31/592847531.db2.gz GFRLQZDPXMGUDW-NSHDSACASA-N 1 1 349.387 1.969 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000840093027 593168052 /nfs/dbraw/zinc/16/80/52/593168052.db2.gz FXIHEQRBNRUVEW-LLVKDONJSA-N 1 1 332.360 1.174 20 5 EDBDMO CC(C)[N@@H+]1CCO[C@@H](C(N)=NOCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000808264350 593245969 /nfs/dbraw/zinc/24/59/69/593245969.db2.gz YMMJNQIMMXRHLN-OAHLLOKOSA-N 1 1 336.392 1.745 20 5 EDBDMO CC(C)[N@H+]1CCO[C@@H](C(N)=NOCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000808264350 593245971 /nfs/dbraw/zinc/24/59/71/593245971.db2.gz YMMJNQIMMXRHLN-OAHLLOKOSA-N 1 1 336.392 1.745 20 5 EDBDMO COC[C@@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840009089 593344607 /nfs/dbraw/zinc/34/46/07/593344607.db2.gz ZHTHNZHQAWISFE-WBMJQRKESA-N 1 1 335.360 1.458 20 5 EDBDMO COC[C@@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840009089 593344609 /nfs/dbraw/zinc/34/46/09/593344609.db2.gz ZHTHNZHQAWISFE-WBMJQRKESA-N 1 1 335.360 1.458 20 5 EDBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000839668374 593360625 /nfs/dbraw/zinc/36/06/25/593360625.db2.gz AGRFMBIPZCCHIB-LBPRGKRZSA-N 1 1 336.348 1.992 20 5 EDBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000839668374 593360628 /nfs/dbraw/zinc/36/06/28/593360628.db2.gz AGRFMBIPZCCHIB-LBPRGKRZSA-N 1 1 336.348 1.992 20 5 EDBDMO COC(=O)c1cc(C(C)(C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000810050242 593377549 /nfs/dbraw/zinc/37/75/49/593377549.db2.gz UVZDCNUFXXVSHA-LBPRGKRZSA-N 1 1 349.343 1.928 20 5 EDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2[nH+]ccn2C)CC1 ZINC000804466033 593417241 /nfs/dbraw/zinc/41/72/41/593417241.db2.gz LXCRNXRWKPKJRO-UHFFFAOYSA-N 1 1 329.360 1.858 20 5 EDBDMO Cc1cccc(NCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)[nH+]1 ZINC000768846773 593442238 /nfs/dbraw/zinc/44/22/38/593442238.db2.gz NFHRDBZINZXHEV-UHFFFAOYSA-N 1 1 342.402 1.750 20 5 EDBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C)C1 ZINC000840360739 593701574 /nfs/dbraw/zinc/70/15/74/593701574.db2.gz ZFWCKCQAVCVACH-SNVBAGLBSA-N 1 1 327.768 1.789 20 5 EDBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](C)C1 ZINC000840360739 593701575 /nfs/dbraw/zinc/70/15/75/593701575.db2.gz ZFWCKCQAVCVACH-SNVBAGLBSA-N 1 1 327.768 1.789 20 5 EDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000818592635 593706366 /nfs/dbraw/zinc/70/63/66/593706366.db2.gz DYGCGGRAYDIMMF-CYBMUJFWSA-N 1 1 349.778 1.768 20 5 EDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000818978492 593731925 /nfs/dbraw/zinc/73/19/25/593731925.db2.gz WRGFJHICPFNSKV-WBMJQRKESA-N 1 1 346.387 1.640 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000818978492 593731926 /nfs/dbraw/zinc/73/19/26/593731926.db2.gz WRGFJHICPFNSKV-WBMJQRKESA-N 1 1 346.387 1.640 20 5 EDBDMO CC(C)C[N@H+]1CC[C@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820092459 593790210 /nfs/dbraw/zinc/79/02/10/593790210.db2.gz MFMTYYBXIAFVTF-LLVKDONJSA-N 1 1 346.395 1.560 20 5 EDBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@H+]1C1CC1 ZINC000820664505 593857403 /nfs/dbraw/zinc/85/74/03/593857403.db2.gz AZAYTMBGWQRHQB-NXEZZACHSA-N 1 1 329.364 1.812 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000825451239 594187219 /nfs/dbraw/zinc/18/72/19/594187219.db2.gz HMXUAPIPOROPMD-GHMZBOCLSA-N 1 1 331.380 1.694 20 5 EDBDMO C[NH+]1CCN(C(=O)CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000825696833 594228276 /nfs/dbraw/zinc/22/82/76/594228276.db2.gz DBNUZMPJOZUBTP-UHFFFAOYSA-N 1 1 333.392 1.055 20 5 EDBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)C1 ZINC000825863199 594264870 /nfs/dbraw/zinc/26/48/70/594264870.db2.gz NZIXWNPOJANKRE-CQSZACIVSA-N 1 1 326.441 1.060 20 5 EDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCCn3cc[nH+]c32)c(-c2nn[nH]n2)c1 ZINC000826498807 594502547 /nfs/dbraw/zinc/50/25/47/594502547.db2.gz KMAXPRKVYWFPJG-JTQLQIEISA-N 1 1 340.347 1.961 20 5 EDBDMO COc1cc(C(=O)NCC[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000828840545 594514426 /nfs/dbraw/zinc/51/44/26/594514426.db2.gz SAAHBMFJWJEJDD-JTQLQIEISA-N 1 1 325.340 1.957 20 5 EDBDMO Cc1cc(OCC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000827269036 594657766 /nfs/dbraw/zinc/65/77/66/594657766.db2.gz UZNZYOONEVWSTL-CZUORRHYSA-N 1 1 333.388 1.835 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827332797 594661987 /nfs/dbraw/zinc/66/19/87/594661987.db2.gz SBUWWTBXOJNVHG-IMJJTQAJSA-N 1 1 333.388 1.571 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827340343 594662787 /nfs/dbraw/zinc/66/27/87/594662787.db2.gz ZGMHXGPZBMDIOZ-KBPBESRZSA-N 1 1 333.388 1.916 20 5 EDBDMO O=C(OCCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000840655221 594806008 /nfs/dbraw/zinc/80/60/08/594806008.db2.gz HBKKGKALMKVENW-JKSUJKDBSA-N 1 1 334.372 1.964 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000841457922 594903886 /nfs/dbraw/zinc/90/38/86/594903886.db2.gz XCFLSQXUTGMQPR-CMOQBRTCSA-N 1 1 347.415 1.912 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000837192510 595054599 /nfs/dbraw/zinc/05/45/99/595054599.db2.gz UUATXRJQZUMDEK-YPDDLIOESA-N 1 1 333.388 1.523 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000837192510 595054603 /nfs/dbraw/zinc/05/46/03/595054603.db2.gz UUATXRJQZUMDEK-YPDDLIOESA-N 1 1 333.388 1.523 20 5 EDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c1 ZINC000842615674 595143127 /nfs/dbraw/zinc/14/31/27/595143127.db2.gz PZSNKFAJFCEHEW-ZDUSSCGKSA-N 1 1 339.359 1.878 20 5 EDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H](Nc3ncccn3)C2)c1 ZINC000842615674 595143130 /nfs/dbraw/zinc/14/31/30/595143130.db2.gz PZSNKFAJFCEHEW-ZDUSSCGKSA-N 1 1 339.359 1.878 20 5 EDBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834600983 595172429 /nfs/dbraw/zinc/17/24/29/595172429.db2.gz XKWZAJSQPWIZON-JSGCOSHPSA-N 1 1 325.315 1.992 20 5 EDBDMO COC(=O)[C@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848474237 595388550 /nfs/dbraw/zinc/38/85/50/595388550.db2.gz BRVUWQPAMKDCFC-LBPRGKRZSA-N 1 1 330.344 1.911 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848474237 595388551 /nfs/dbraw/zinc/38/85/51/595388551.db2.gz BRVUWQPAMKDCFC-LBPRGKRZSA-N 1 1 330.344 1.911 20 5 EDBDMO O=C(Cn1cnc([N+](=O)[O-])n1)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000117094662 595531090 /nfs/dbraw/zinc/53/10/90/595531090.db2.gz JECRPONOGIBMFV-CYBMUJFWSA-N 1 1 331.332 1.004 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000860162153 595601145 /nfs/dbraw/zinc/60/11/45/595601145.db2.gz SFAGZHAZELAIBW-ZYHUDNBSSA-N 1 1 349.343 1.037 20 5 EDBDMO COC(=O)C[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853502561 595771714 /nfs/dbraw/zinc/77/17/14/595771714.db2.gz CZGBXUICRONNSU-GFCCVEGCSA-N 1 1 345.359 1.838 20 5 EDBDMO COC(=O)C[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853502561 595771716 /nfs/dbraw/zinc/77/17/16/595771716.db2.gz CZGBXUICRONNSU-GFCCVEGCSA-N 1 1 345.359 1.838 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853521954 595782567 /nfs/dbraw/zinc/78/25/67/595782567.db2.gz IHRGVUGFGXPFCG-LBPRGKRZSA-N 1 1 342.363 1.219 20 5 EDBDMO COC(=O)/C=C/c1ccc(NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000858867584 595909722 /nfs/dbraw/zinc/90/97/22/595909722.db2.gz QANWAUQKOLPVSZ-LQPUYASZSA-N 1 1 335.360 1.260 20 5 EDBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861716315 596078603 /nfs/dbraw/zinc/07/86/03/596078603.db2.gz RANQCDYURDCRKZ-WDEREUQCSA-N 1 1 339.779 1.529 20 5 EDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000866810499 596358990 /nfs/dbraw/zinc/35/89/90/596358990.db2.gz UMEFPNZFQIJZBV-ZDUSSCGKSA-N 1 1 339.367 1.192 20 5 EDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870895045 596394042 /nfs/dbraw/zinc/39/40/42/596394042.db2.gz SKDAEDOQUXMDGZ-KBXCAEBGSA-N 1 1 348.447 1.959 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000867812493 596564758 /nfs/dbraw/zinc/56/47/58/596564758.db2.gz KKBOZUWCTRSASP-MFKMUULPSA-N 1 1 343.380 1.449 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865504117 596592901 /nfs/dbraw/zinc/59/29/01/596592901.db2.gz BWGJYTPUKJTUQZ-LBPRGKRZSA-N 1 1 327.356 1.749 20 5 EDBDMO CCOCC[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865514853 596597069 /nfs/dbraw/zinc/59/70/69/596597069.db2.gz UZBMALPFVIBVOI-UHFFFAOYSA-N 1 1 327.356 1.385 20 5 EDBDMO Cn1c2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)cc2n(C)c1=O ZINC000866208533 596827748 /nfs/dbraw/zinc/82/77/48/596827748.db2.gz NEMNXIROBDUCPE-VXGBXAGGSA-N 1 1 345.403 1.316 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000872664454 597019772 /nfs/dbraw/zinc/01/97/72/597019772.db2.gz SSDNYNICSYGSDC-GJZGRUSLSA-N 1 1 339.417 1.593 20 5 EDBDMO O=[N+]([O-])c1c2cccnc2ccc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000872758274 597059998 /nfs/dbraw/zinc/05/99/98/597059998.db2.gz XPDGZQDACRFUFX-QWHCGFSZSA-N 1 1 328.372 1.788 20 5 EDBDMO CC[C@@H]1COCC[N@@H+]1CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000874698509 597141013 /nfs/dbraw/zinc/14/10/13/597141013.db2.gz GIAXBWZXSCOXIY-SBJJXXPASA-N 1 1 333.388 1.835 20 5 EDBDMO CC[C@@H]1COCC[N@H+]1CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000874698509 597141014 /nfs/dbraw/zinc/14/10/14/597141014.db2.gz GIAXBWZXSCOXIY-SBJJXXPASA-N 1 1 333.388 1.835 20 5 EDBDMO Cc1cc(OCC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000874831263 597189413 /nfs/dbraw/zinc/18/94/13/597189413.db2.gz YXVPOSUOBBBCJP-HZPDHXFCSA-N 1 1 333.388 1.977 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877743021 597552480 /nfs/dbraw/zinc/55/24/80/597552480.db2.gz SVSPZZZOGOBWOY-DZGCQCFKSA-N 1 1 333.388 1.907 20 5 EDBDMO Cc1ccc([C@H](C)NCC(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000878373808 597598261 /nfs/dbraw/zinc/59/82/61/597598261.db2.gz USKVFKPYIRNGHD-ZDUSSCGKSA-N 1 1 334.420 1.764 20 5 EDBDMO Cc1cc(F)cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000131521266 597714644 /nfs/dbraw/zinc/71/46/44/597714644.db2.gz ZEAMOVFQBIBMDR-UHFFFAOYSA-N 1 1 339.367 1.571 20 5 EDBDMO CCOc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000880071293 597831510 /nfs/dbraw/zinc/83/15/10/597831510.db2.gz GHJPJMHQGDQCMT-LSDHHAIUSA-N 1 1 335.404 1.634 20 5 EDBDMO CO[C@H]1CC[C@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000879320913 597885803 /nfs/dbraw/zinc/88/58/03/597885803.db2.gz JXFPXNFRZGYBJY-WFASDCNBSA-N 1 1 333.388 1.983 20 5 EDBDMO CO[C@H]1CC[C@H](C)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000879320913 597885805 /nfs/dbraw/zinc/88/58/05/597885805.db2.gz JXFPXNFRZGYBJY-WFASDCNBSA-N 1 1 333.388 1.983 20 5 EDBDMO O=C(OCCn1cnc([N+](=O)[O-])n1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000133041085 597927566 /nfs/dbraw/zinc/92/75/66/597927566.db2.gz INEOLFTUQMJENS-CQSZACIVSA-N 1 1 345.359 1.394 20 5 EDBDMO O=C(OCCn1cnc([N+](=O)[O-])n1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000133041085 597927568 /nfs/dbraw/zinc/92/75/68/597927568.db2.gz INEOLFTUQMJENS-CQSZACIVSA-N 1 1 345.359 1.394 20 5 EDBDMO CO[C@H]1COCC[C@@H]1[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000880428580 597930283 /nfs/dbraw/zinc/93/02/83/597930283.db2.gz BTSKEMLZFFAPMI-GJZGRUSLSA-N 1 1 337.376 1.293 20 5 EDBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000880428580 597930284 /nfs/dbraw/zinc/93/02/84/597930284.db2.gz BTSKEMLZFFAPMI-GJZGRUSLSA-N 1 1 337.376 1.293 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000882490377 597975069 /nfs/dbraw/zinc/97/50/69/597975069.db2.gz OFLDVRVDSNONBS-ABAIWWIYSA-N 1 1 332.360 1.298 20 5 EDBDMO CC(=O)OC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000153244489 695586057 /nfs/dbraw/zinc/58/60/57/695586057.db2.gz YUPCPCWWLFNIIT-NSHDSACASA-N 1 1 335.360 1.949 20 5 EDBDMO Cc1[nH]nc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)c1C ZINC001031589322 697288034 /nfs/dbraw/zinc/28/80/34/697288034.db2.gz QOMQOEWUNDGLGQ-UHFFFAOYSA-N 1 1 343.387 1.797 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc(C(F)F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662321 697437972 /nfs/dbraw/zinc/43/79/72/697437972.db2.gz BCFYNTJCIRCCBE-ZIAGYGMSSA-N 1 1 339.342 1.837 20 5 EDBDMO Cc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC000940107965 700220004 /nfs/dbraw/zinc/22/00/04/700220004.db2.gz SXEVJWASTMSLCI-HZPDHXFCSA-N 1 1 346.431 1.834 20 5 EDBDMO O=C(C[NH+]1CCCC1)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001004147925 711560387 /nfs/dbraw/zinc/56/03/87/711560387.db2.gz ODFQEJVTUBIGCE-UHFFFAOYSA-N 1 1 346.431 1.771 20 5 EDBDMO O=[N+]([O-])c1cc(CN2CC[NH+](CCO)CC2)ccc1Br ZINC000098012772 219068766 /nfs/dbraw/zinc/06/87/66/219068766.db2.gz ZBWZAUVKBJDXLR-UHFFFAOYSA-N 1 1 344.209 1.467 20 5 EDBDMO C[C@@](O)(CNc1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000432341936 305091813 /nfs/dbraw/zinc/09/18/13/305091813.db2.gz DCRGCKBCEDTQEK-CQSZACIVSA-N 1 1 329.784 1.743 20 5 EDBDMO CNC(=O)CCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000155275836 529852256 /nfs/dbraw/zinc/85/22/56/529852256.db2.gz QLNJGKQVELBLGQ-UHFFFAOYSA-N 1 1 333.348 1.603 20 5 EDBDMO CNC(=O)CCC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000155275836 529852258 /nfs/dbraw/zinc/85/22/58/529852258.db2.gz QLNJGKQVELBLGQ-UHFFFAOYSA-N 1 1 333.348 1.603 20 5 EDBDMO CNC(=O)CC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181679017 529856749 /nfs/dbraw/zinc/85/67/49/529856749.db2.gz HTMLKKQAEZXCQD-UHFFFAOYSA-N 1 1 326.328 1.130 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000184324453 235367014 /nfs/dbraw/zinc/36/70/14/235367014.db2.gz PVRQQXMCZOWTRK-LBPRGKRZSA-N 1 1 338.383 1.490 20 5 EDBDMO O=[N+]([O-])c1cnc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000413055041 304052893 /nfs/dbraw/zinc/05/28/93/304052893.db2.gz SGHIYUVYRVZWLR-OAHLLOKOSA-N 1 1 346.362 1.960 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCn2cccn2)c([N+](=O)[O-])c1 ZINC000111284015 138308146 /nfs/dbraw/zinc/30/81/46/138308146.db2.gz KFFKXOVSGXWNIH-LBPRGKRZSA-N 1 1 347.375 1.759 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCn2cccn2)c([N+](=O)[O-])c1 ZINC000111284015 138308147 /nfs/dbraw/zinc/30/81/47/138308147.db2.gz KFFKXOVSGXWNIH-LBPRGKRZSA-N 1 1 347.375 1.759 20 5 EDBDMO COC(=O)[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413492106 304062803 /nfs/dbraw/zinc/06/28/03/304062803.db2.gz CDXVTGHZMZDLHH-LBPRGKRZSA-N 1 1 344.371 1.684 20 5 EDBDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000359973920 201120846 /nfs/dbraw/zinc/12/08/46/201120846.db2.gz MRFBFVAQOPOQOH-CYBMUJFWSA-N 1 1 331.332 1.420 20 5 EDBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000065142278 202825933 /nfs/dbraw/zinc/82/59/33/202825933.db2.gz ASPGGSRBTWXTHB-BETUJISGSA-N 1 1 337.424 1.664 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000075743835 203322421 /nfs/dbraw/zinc/32/24/21/203322421.db2.gz ZNVOXQOVCQTIFX-QGZVFWFLSA-N 1 1 348.378 1.998 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCNC(=O)C1(C)C ZINC000104073368 204095572 /nfs/dbraw/zinc/09/55/72/204095572.db2.gz VITNAHOABBPFBZ-UHFFFAOYSA-N 1 1 334.376 1.442 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCNC(=O)C1(C)C ZINC000104073368 204095575 /nfs/dbraw/zinc/09/55/75/204095575.db2.gz VITNAHOABBPFBZ-UHFFFAOYSA-N 1 1 334.376 1.442 20 5 EDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000131428418 205287950 /nfs/dbraw/zinc/28/79/50/205287950.db2.gz KWELKXHGNOOTDQ-INIZCTEOSA-N 1 1 335.404 1.490 20 5 EDBDMO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000247881003 139155478 /nfs/dbraw/zinc/15/54/78/139155478.db2.gz BPXBKWHVXAKSHF-QGPMSJSTSA-N 1 1 349.431 1.751 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21 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IEFGGXJOXIGSEV-UHFFFAOYSA-N 1 1 325.365 1.635 20 5 EDBDMO COc1ccc(OCC[N@H+](C)CC(=O)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000173502727 533014299 /nfs/dbraw/zinc/01/42/99/533014299.db2.gz BQAWBBWOUVWSKR-UHFFFAOYSA-N 1 1 339.392 1.829 20 5 EDBDMO COc1ccc(OCC[N@@H+](C)CC(=O)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000173502727 533014306 /nfs/dbraw/zinc/01/43/06/533014306.db2.gz BQAWBBWOUVWSKR-UHFFFAOYSA-N 1 1 339.392 1.829 20 5 EDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000112364075 220314724 /nfs/dbraw/zinc/31/47/24/220314724.db2.gz WDGARVUPMYLBLQ-UHFFFAOYSA-N 1 1 345.421 1.614 20 5 EDBDMO CC[N@@H+](CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000263756003 139358124 /nfs/dbraw/zinc/35/81/24/139358124.db2.gz QQDMINBPFFINAL-LBPRGKRZSA-N 1 1 348.403 1.314 20 5 EDBDMO C[N@@H+](CCO)C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000492287220 255167992 /nfs/dbraw/zinc/16/79/92/255167992.db2.gz KQJZGFSHUUSDSG-AATRIKPKSA-N 1 1 333.388 1.523 20 5 EDBDMO 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UWLYASYIIWSLQW-CHWSQXEVSA-N 1 1 335.408 1.789 20 5 EDBDMO CO[C@H]1C[C@H](CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000345146108 143057304 /nfs/dbraw/zinc/05/73/04/143057304.db2.gz OGHYIOSTAXWRRI-OLZOCXBDSA-N 1 1 336.392 1.184 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000345896570 143144475 /nfs/dbraw/zinc/14/44/75/143144475.db2.gz ADNDQWBORBKZOV-NWDGAFQWSA-N 1 1 337.424 1.739 20 5 EDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346163035 143173899 /nfs/dbraw/zinc/17/38/99/143173899.db2.gz CTSXLCPGCUDCFO-YDHLFZDLSA-N 1 1 335.408 1.370 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@@H](C(N)=O)C1 ZINC000346660571 143227923 /nfs/dbraw/zinc/22/79/23/143227923.db2.gz MJWVSZISWTXFPN-AAEUAGOBSA-N 1 1 334.376 1.285 20 5 EDBDMO O=C([C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1)N1CCCC1 ZINC000347444847 143321845 /nfs/dbraw/zinc/32/18/45/143321845.db2.gz FYTJXBKMDHTXDI-LBPRGKRZSA-N 1 1 343.387 1.915 20 5 EDBDMO O=C([C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1)N1CCCC1 ZINC000347444847 143321846 /nfs/dbraw/zinc/32/18/46/143321846.db2.gz FYTJXBKMDHTXDI-LBPRGKRZSA-N 1 1 343.387 1.915 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000347785944 143362981 /nfs/dbraw/zinc/36/29/81/143362981.db2.gz GLESVKLGWIVOAF-ZFWWWQNUSA-N 1 1 335.360 1.149 20 5 EDBDMO COc1cccc(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000347830351 143368016 /nfs/dbraw/zinc/36/80/16/143368016.db2.gz ROFOUDNUVYGYPQ-NSHDSACASA-N 1 1 330.344 1.792 20 5 EDBDMO C[N@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000416559830 304331380 /nfs/dbraw/zinc/33/13/80/304331380.db2.gz KLQJEMPUYGHJGK-NSHDSACASA-N 1 1 345.396 1.744 20 5 EDBDMO C[N@H+]1CCC[C@@H](CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000416559830 304331384 /nfs/dbraw/zinc/33/13/84/304331384.db2.gz KLQJEMPUYGHJGK-NSHDSACASA-N 1 1 345.396 1.744 20 5 EDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000353216337 149327853 /nfs/dbraw/zinc/32/78/53/149327853.db2.gz FJDKGMCZBTZABH-GHMZBOCLSA-N 1 1 325.365 1.897 20 5 EDBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000353216337 149327854 /nfs/dbraw/zinc/32/78/54/149327854.db2.gz FJDKGMCZBTZABH-GHMZBOCLSA-N 1 1 325.365 1.897 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355363083 150234969 /nfs/dbraw/zinc/23/49/69/150234969.db2.gz FATDBMYWGXAJFH-CVEARBPZSA-N 1 1 333.388 1.838 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000355732009 150378788 /nfs/dbraw/zinc/37/87/88/150378788.db2.gz JBPMLQQFYQATDR-GFCCVEGCSA-N 1 1 338.360 1.757 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000355732009 150378790 /nfs/dbraw/zinc/37/87/90/150378790.db2.gz JBPMLQQFYQATDR-GFCCVEGCSA-N 1 1 338.360 1.757 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000357382384 151013640 /nfs/dbraw/zinc/01/36/40/151013640.db2.gz CFLPTYLEMSRGKR-AAEUAGOBSA-N 1 1 344.375 1.388 20 5 EDBDMO C[C@H](O)C[N@@H+](C)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000357633735 151093931 /nfs/dbraw/zinc/09/39/31/151093931.db2.gz FDAIXKPSISJCLD-AWEZNQCLSA-N 1 1 337.420 1.751 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000360651730 152138464 /nfs/dbraw/zinc/13/84/64/152138464.db2.gz IQQIHIRWTFHABK-QWHCGFSZSA-N 1 1 341.433 1.973 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000360961792 152265360 /nfs/dbraw/zinc/26/53/60/152265360.db2.gz UPUPLFGTZXOZEA-GFCCVEGCSA-N 1 1 338.412 1.119 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000367841120 154294611 /nfs/dbraw/zinc/29/46/11/154294611.db2.gz JLWJPCUHUAEQGA-NWANDNLSSA-N 1 1 347.419 1.377 20 5 EDBDMO CCN1C(=O)[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)CCN2C1=O ZINC000369429959 155030894 /nfs/dbraw/zinc/03/08/94/155030894.db2.gz XTDBXLHYVWQSBQ-CQSZACIVSA-N 1 1 332.360 1.372 20 5 EDBDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CCN2C1=O ZINC000369429959 155030897 /nfs/dbraw/zinc/03/08/97/155030897.db2.gz XTDBXLHYVWQSBQ-CQSZACIVSA-N 1 1 332.360 1.372 20 5 EDBDMO CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000369517441 155068740 /nfs/dbraw/zinc/06/87/40/155068740.db2.gz GPPNOBVLEXFRKS-ZDUSSCGKSA-N 1 1 344.371 1.891 20 5 EDBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000373896047 157053328 /nfs/dbraw/zinc/05/33/28/157053328.db2.gz ZXCFGAALHRDIIR-UHFFFAOYSA-N 1 1 340.299 1.837 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000374067691 157129613 /nfs/dbraw/zinc/12/96/13/157129613.db2.gz HTYWMECKJXIJSJ-XNRPHZJLSA-N 1 1 349.387 1.395 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000374392263 157273359 /nfs/dbraw/zinc/27/33/59/157273359.db2.gz KMTOZZKZLKYAQW-IJEWVQPXSA-N 1 1 336.388 1.693 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(c2cccnn2)CC1 ZINC000374546000 157323949 /nfs/dbraw/zinc/32/39/49/157323949.db2.gz PJBLSCUWOVSQLR-UHFFFAOYSA-N 1 1 331.380 1.182 20 5 EDBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000378004075 158053811 /nfs/dbraw/zinc/05/38/11/158053811.db2.gz ZWTPYSPAKYZFLW-ZDUSSCGKSA-N 1 1 346.391 1.550 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067306130 287244674 /nfs/dbraw/zinc/24/46/74/287244674.db2.gz RQTVAXPXGWQHKA-LBPRGKRZSA-N 1 1 344.375 1.247 20 5 EDBDMO CN(C)C(=O)C(C)(C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000074286200 287269350 /nfs/dbraw/zinc/26/93/50/287269350.db2.gz JUISMBLQNMYMPV-UHFFFAOYSA-N 1 1 342.783 1.643 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000266144186 273019512 /nfs/dbraw/zinc/01/95/12/273019512.db2.gz HSFTZYHDKQOYJQ-UHFFFAOYSA-N 1 1 325.365 1.058 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000274232112 268115095 /nfs/dbraw/zinc/11/50/95/268115095.db2.gz FBTNSYNZVMPGKV-UHFFFAOYSA-N 1 1 345.359 1.471 20 5 EDBDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276059910 273145235 /nfs/dbraw/zinc/14/52/35/273145235.db2.gz KOQSNVCCEJOIGV-ZDUSSCGKSA-N 1 1 334.376 1.462 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)NCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000276902612 273168510 /nfs/dbraw/zinc/16/85/10/273168510.db2.gz VXDVIUVZTOUHOH-UHFFFAOYSA-N 1 1 327.406 1.584 20 5 EDBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])s2)CCCO1 ZINC000277520851 273203990 /nfs/dbraw/zinc/20/39/90/273203990.db2.gz LAHQZIDBDOJYJX-NSHDSACASA-N 1 1 327.406 1.887 20 5 EDBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)COc1ccccc1 ZINC000277681215 273216087 /nfs/dbraw/zinc/21/60/87/273216087.db2.gz BBFUBXVAJYYCOO-HNNXBMFYSA-N 1 1 348.403 1.942 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-] ZINC000278915114 273270996 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O=[N+]([O-])c1cnn(CC[N@H+](CCN2CCOCC2)Cc2ccco2)c1 ZINC000452051105 305380474 /nfs/dbraw/zinc/38/04/74/305380474.db2.gz SPJFFJOXFRZWET-UHFFFAOYSA-N 1 1 349.391 1.219 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+](CCN2CCOCC2)Cc2ccco2)c1 ZINC000452051105 305380475 /nfs/dbraw/zinc/38/04/75/305380475.db2.gz SPJFFJOXFRZWET-UHFFFAOYSA-N 1 1 349.391 1.219 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccc([N+](=O)[O-])cc1Cl ZINC000452348108 305391016 /nfs/dbraw/zinc/39/10/16/305391016.db2.gz KNKUPUYPLQLZDD-GFCCVEGCSA-N 1 1 341.795 1.825 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000452354333 305392090 /nfs/dbraw/zinc/39/20/90/305392090.db2.gz VQRZFHXUSRZZTF-ZDUSSCGKSA-N 1 1 346.387 1.653 20 5 EDBDMO CS(=O)(=O)c1ccc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489905571 305566972 /nfs/dbraw/zinc/56/69/72/305566972.db2.gz AVLUQRJJKOFRQJ-JTQLQIEISA-N 1 1 336.373 1.622 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000535728262 306015341 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COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+](C)C ZINC000054374050 441574943 /nfs/dbraw/zinc/57/49/43/441574943.db2.gz WWAYYZYOPJQGIV-CQSZACIVSA-N 1 1 332.360 1.964 20 5 EDBDMO COc1ccc2c(c1)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000090519355 441632903 /nfs/dbraw/zinc/63/29/03/441632903.db2.gz PKUWFMFKJQOFHS-UHFFFAOYSA-N 1 1 329.356 1.823 20 5 EDBDMO COc1ccc2c(c1)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000090519355 441632906 /nfs/dbraw/zinc/63/29/06/441632906.db2.gz PKUWFMFKJQOFHS-UHFFFAOYSA-N 1 1 329.356 1.823 20 5 EDBDMO Cc1cccc(C(=O)NCC2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000114141882 441636962 /nfs/dbraw/zinc/63/69/62/441636962.db2.gz CFHHFLYOBYQOKO-UHFFFAOYSA-N 1 1 348.447 1.907 20 5 EDBDMO COCCCOCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000091101848 441660672 /nfs/dbraw/zinc/66/06/72/441660672.db2.gz LPQKKGJTBQATJK-ZDUSSCGKSA-N 1 1 339.392 1.907 20 5 EDBDMO COCCCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000091101848 441660675 /nfs/dbraw/zinc/66/06/75/441660675.db2.gz LPQKKGJTBQATJK-ZDUSSCGKSA-N 1 1 339.392 1.907 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000136806501 441724816 /nfs/dbraw/zinc/72/48/16/441724816.db2.gz ZINIWTMAMIAABH-INIZCTEOSA-N 1 1 328.372 1.845 20 5 EDBDMO O=Cc1ccc(OCC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000068302653 441770503 /nfs/dbraw/zinc/77/05/03/441770503.db2.gz DUIVKFQQASZFNX-ZDUSSCGKSA-N 1 1 347.371 1.387 20 5 EDBDMO C[C@@H](CCNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000173589966 441800693 /nfs/dbraw/zinc/80/06/93/441800693.db2.gz ZRSYKVKCXWCOFX-AWEZNQCLSA-N 1 1 345.403 1.818 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000173626141 441807120 /nfs/dbraw/zinc/80/71/20/441807120.db2.gz BTVRCJADGSEJKH-CQSZACIVSA-N 1 1 347.415 1.849 20 5 EDBDMO Cc1ccc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000092615636 441813514 /nfs/dbraw/zinc/81/35/14/441813514.db2.gz FAROOKSFCWAJAU-UHFFFAOYSA-N 1 1 348.447 1.793 20 5 EDBDMO Cc1c(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000122049395 441831097 /nfs/dbraw/zinc/83/10/97/441831097.db2.gz SBARSPYFFGDZLG-CYBMUJFWSA-N 1 1 334.420 1.517 20 5 EDBDMO CCC1(CC)[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1OC ZINC000140647215 441841573 /nfs/dbraw/zinc/84/15/73/441841573.db2.gz YUTLEQNQQDEYKU-ZNMIVQPWSA-N 1 1 340.424 1.678 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122456431 441851640 /nfs/dbraw/zinc/85/16/40/441851640.db2.gz RVDHGVRFGAHMAT-OLZOCXBDSA-N 1 1 339.417 1.700 20 5 EDBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](C2CC2)CC1 ZINC000119337303 441929889 /nfs/dbraw/zinc/92/98/89/441929889.db2.gz ASQKFXXTLOZABI-UHFFFAOYSA-N 1 1 328.372 1.925 20 5 EDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000078562517 441944432 /nfs/dbraw/zinc/94/44/32/441944432.db2.gz YKHSARCKDDYNCC-LBPRGKRZSA-N 1 1 345.403 1.999 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000119849623 441964098 /nfs/dbraw/zinc/96/40/98/441964098.db2.gz PIJCEABCCCGGDY-DOMZBBRYSA-N 1 1 348.403 1.722 20 5 EDBDMO C[NH+]1CCC(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000120214555 442030596 /nfs/dbraw/zinc/03/05/96/442030596.db2.gz BISAQWHFACQBGA-UHFFFAOYSA-N 1 1 331.376 1.933 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000175822588 442129819 /nfs/dbraw/zinc/12/98/19/442129819.db2.gz AGFWPLZCDSVAPU-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000079914569 442096789 /nfs/dbraw/zinc/09/67/89/442096789.db2.gz VWJLMNSSRHRHDO-LLVKDONJSA-N 1 1 342.421 1.386 20 5 EDBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)COC[C@@H]1CCCO1)C2 ZINC000153140140 442263325 /nfs/dbraw/zinc/26/33/25/442263325.db2.gz KSRPNZPNWAINJN-CABCVRRESA-N 1 1 336.388 1.509 20 5 EDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)C2 ZINC000153140140 442263328 /nfs/dbraw/zinc/26/33/28/442263328.db2.gz KSRPNZPNWAINJN-CABCVRRESA-N 1 1 336.388 1.509 20 5 EDBDMO O=C(CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCOCC1 ZINC000153283952 442273207 /nfs/dbraw/zinc/27/32/07/442273207.db2.gz BDHVLHGJCWOFID-UHFFFAOYSA-N 1 1 333.388 1.808 20 5 EDBDMO CNC(=O)C[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153574782 442290334 /nfs/dbraw/zinc/29/03/34/442290334.db2.gz GLCDZSFWNHFKOB-UHFFFAOYSA-N 1 1 327.772 1.266 20 5 EDBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171718259 442373468 /nfs/dbraw/zinc/37/34/68/442373468.db2.gz VBYLKJGMNVDULB-ZIAGYGMSSA-N 1 1 349.435 1.591 20 5 EDBDMO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000171718256 442373973 /nfs/dbraw/zinc/37/39/73/442373973.db2.gz VBYLKJGMNVDULB-UONOGXRCSA-N 1 1 349.435 1.591 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000171824451 442383741 /nfs/dbraw/zinc/38/37/41/442383741.db2.gz NBHCOARMNJHRBY-UHFFFAOYSA-N 1 1 339.417 1.841 20 5 EDBDMO CC[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000172233292 442427070 /nfs/dbraw/zinc/42/70/70/442427070.db2.gz XOLBGZQEMLFJPV-LBPRGKRZSA-N 1 1 327.406 1.839 20 5 EDBDMO CC[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000172233292 442427071 /nfs/dbraw/zinc/42/70/71/442427071.db2.gz XOLBGZQEMLFJPV-LBPRGKRZSA-N 1 1 327.406 1.839 20 5 EDBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000179716245 442492735 /nfs/dbraw/zinc/49/27/35/442492735.db2.gz PGDZRISVWZZDIO-LBPRGKRZSA-N 1 1 331.376 1.579 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCOC1 ZINC000178783291 442485251 /nfs/dbraw/zinc/48/52/51/442485251.db2.gz MONRGALXOMNISR-GFCCVEGCSA-N 1 1 337.376 1.900 20 5 EDBDMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000179251258 442605909 /nfs/dbraw/zinc/60/59/09/442605909.db2.gz UXOBDGRINVMYKA-STQMWFEESA-N 1 1 343.387 1.945 20 5 EDBDMO C[N@@H+](CCCn1ccnc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000181087715 442679574 /nfs/dbraw/zinc/67/95/74/442679574.db2.gz RCGJGSWQRXOMIN-UHFFFAOYSA-N 1 1 343.387 1.703 20 5 EDBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000246285026 442770292 /nfs/dbraw/zinc/77/02/92/442770292.db2.gz CPWAMNMZFCGVQO-LSDHHAIUSA-N 1 1 349.435 1.904 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000194046287 442836890 /nfs/dbraw/zinc/83/68/90/442836890.db2.gz FDKLXELVBNTWDK-AWEZNQCLSA-N 1 1 348.403 1.234 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000268237548 442912270 /nfs/dbraw/zinc/91/22/70/442912270.db2.gz UGOZWYXURGFSAZ-OTYXRUKQSA-N 1 1 334.332 1.716 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000265803165 442926964 /nfs/dbraw/zinc/92/69/64/442926964.db2.gz XJPBKPFFJDYNGJ-UHFFFAOYSA-N 1 1 329.360 1.599 20 5 EDBDMO COc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)cc([N+](=O)[O-])c1OC ZINC000265954016 442982377 /nfs/dbraw/zinc/98/23/77/442982377.db2.gz NOHXMECQTKQRNN-UHFFFAOYSA-N 1 1 349.387 1.780 20 5 EDBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000250118746 443010194 /nfs/dbraw/zinc/01/01/94/443010194.db2.gz UVKPDOJRIPICNO-HOCLYGCPSA-N 1 1 349.431 1.689 20 5 EDBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000250118746 443010198 /nfs/dbraw/zinc/01/01/98/443010198.db2.gz UVKPDOJRIPICNO-HOCLYGCPSA-N 1 1 349.431 1.689 20 5 EDBDMO CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000266131423 443028790 /nfs/dbraw/zinc/02/87/90/443028790.db2.gz MQJYOGBVNRWBDQ-OAHLLOKOSA-N 1 1 348.403 1.267 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190086833 443055028 /nfs/dbraw/zinc/05/50/28/443055028.db2.gz UAICYEODGAYCOD-LLVKDONJSA-N 1 1 336.392 1.094 20 5 EDBDMO Cc1cc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000266459610 443133293 /nfs/dbraw/zinc/13/32/93/443133293.db2.gz LSWKRGSJXBZBII-UHFFFAOYSA-N 1 1 344.375 1.181 20 5 EDBDMO O=C(CC[N@H+]1CCO[C@@]2(CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000185148615 443147550 /nfs/dbraw/zinc/14/75/50/443147550.db2.gz IMTOFEHXZNLMSJ-INIZCTEOSA-N 1 1 335.360 1.415 20 5 EDBDMO CN(C)C(=O)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185169818 443153129 /nfs/dbraw/zinc/15/31/29/443153129.db2.gz FLEBYKJJNIGHMK-UHFFFAOYSA-N 1 1 326.328 1.083 20 5 EDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000266519078 443154218 /nfs/dbraw/zinc/15/42/18/443154218.db2.gz IBDVSMZCMMSIQU-RYUDHWBXSA-N 1 1 342.421 1.161 20 5 EDBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000191076880 443235919 /nfs/dbraw/zinc/23/59/19/443235919.db2.gz SXAQNFDZGCEBRA-UHFFFAOYSA-N 1 1 339.417 1.247 20 5 EDBDMO CC(C)C[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411621127 319189965 /nfs/dbraw/zinc/18/99/65/319189965.db2.gz XEJAQKSAOCREHJ-HNNXBMFYSA-N 1 1 348.403 1.770 20 5 EDBDMO CC(C)C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411621127 319189967 /nfs/dbraw/zinc/18/99/67/319189967.db2.gz XEJAQKSAOCREHJ-HNNXBMFYSA-N 1 1 348.403 1.770 20 5 EDBDMO CC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000411899245 319211524 /nfs/dbraw/zinc/21/15/24/319211524.db2.gz BHFDMABTKQIBPP-VIFPVBQESA-N 1 1 340.767 1.397 20 5 EDBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412108637 319226312 /nfs/dbraw/zinc/22/63/12/319226312.db2.gz BENLYVBISGFVOS-RRQGHBQHSA-N 1 1 347.415 1.925 20 5 EDBDMO CC[N@H+]1CC[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000413856055 319294195 /nfs/dbraw/zinc/29/41/95/319294195.db2.gz KHBZERVCAYZXPD-GFCCVEGCSA-N 1 1 336.396 1.232 20 5 EDBDMO COC(=O)C[C@@H]1CSCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000266904369 443286612 /nfs/dbraw/zinc/28/66/12/443286612.db2.gz HIXCWGLBZGPGIE-CYBMUJFWSA-N 1 1 340.401 1.954 20 5 EDBDMO COC(=O)C[C@H]1CSCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000266919873 443290917 /nfs/dbraw/zinc/29/09/17/443290917.db2.gz LLVNKETTXMTJKB-LBPRGKRZSA-N 1 1 340.401 1.954 20 5 EDBDMO COC(=O)C[C@H]1CSCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000266919873 443290920 /nfs/dbraw/zinc/29/09/20/443290920.db2.gz LLVNKETTXMTJKB-LBPRGKRZSA-N 1 1 340.401 1.954 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186038565 443301888 /nfs/dbraw/zinc/30/18/88/443301888.db2.gz WNERUPMBJGFNSL-ZDUSSCGKSA-N 1 1 335.408 1.742 20 5 EDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2Cn2ccnc2)c1[N+](=O)[O-] ZINC000269479830 443319386 /nfs/dbraw/zinc/31/93/86/443319386.db2.gz KBKWHOJKANUANM-LLVKDONJSA-N 1 1 332.364 1.943 20 5 EDBDMO C[C@@H](O)C[NH+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278421514 443326453 /nfs/dbraw/zinc/32/64/53/443326453.db2.gz OSJSRMWODJUIKB-SECBINFHSA-N 1 1 334.298 1.511 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000267233206 443388134 /nfs/dbraw/zinc/38/81/34/443388134.db2.gz WTUXPCRMXFRVAZ-ZDUSSCGKSA-N 1 1 341.433 1.784 20 5 EDBDMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000282810149 443440465 /nfs/dbraw/zinc/44/04/65/443440465.db2.gz BGSXGVDZLKIRQC-ZDUSSCGKSA-N 1 1 331.332 1.312 20 5 EDBDMO CCN1CC[NH+](CCC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000272958889 443502297 /nfs/dbraw/zinc/50/22/97/443502297.db2.gz RHVKZXRLEVLXNI-UHFFFAOYSA-N 1 1 336.392 1.570 20 5 EDBDMO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279167842 443523261 /nfs/dbraw/zinc/52/32/61/443523261.db2.gz CHCZAOAHNPISOT-CQSZACIVSA-N 1 1 329.360 1.714 20 5 EDBDMO COC(=O)[C@@H](C)C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273039342 443525890 /nfs/dbraw/zinc/52/58/90/443525890.db2.gz OPYOSVOBYHDQOA-RYUDHWBXSA-N 1 1 326.349 1.075 20 5 EDBDMO C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272259531 443572204 /nfs/dbraw/zinc/57/22/04/443572204.db2.gz MPQHDEQCNPKBPD-NSHDSACASA-N 1 1 344.293 1.702 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000283241156 443572250 /nfs/dbraw/zinc/57/22/50/443572250.db2.gz UDJKGGDBQUOFFX-LLVKDONJSA-N 1 1 335.360 1.843 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC(=O)[C@H](C)C1 ZINC000283241156 443572252 /nfs/dbraw/zinc/57/22/52/443572252.db2.gz UDJKGGDBQUOFFX-LLVKDONJSA-N 1 1 335.360 1.843 20 5 EDBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286155130 443657627 /nfs/dbraw/zinc/65/76/27/443657627.db2.gz WBKNYGLAXMSVRJ-COXVUDFISA-N 1 1 335.404 1.423 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000434944312 320007030 /nfs/dbraw/zinc/00/70/30/320007030.db2.gz VJJPJZGTUPIFKM-SNVBAGLBSA-N 1 1 327.772 1.395 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448765251 320157502 /nfs/dbraw/zinc/15/75/02/320157502.db2.gz XFMGSGBPACQSRJ-ZDUSSCGKSA-N 1 1 343.387 1.852 20 5 EDBDMO COC[C@](C)(O)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449385496 320185964 /nfs/dbraw/zinc/18/59/64/320185964.db2.gz QUJNUELPKQLIRD-NVXWUHKLSA-N 1 1 348.403 1.795 20 5 EDBDMO COC[C@@](C)(O)CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000449382610 320186192 /nfs/dbraw/zinc/18/61/92/320186192.db2.gz CWWLMLGWGBXIPJ-RDJZCZTQSA-N 1 1 348.403 1.795 20 5 EDBDMO C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+](C2CC2)C1 ZINC000452568050 320251924 /nfs/dbraw/zinc/25/19/24/320251924.db2.gz GELCWLDSQSGMQW-LBPRGKRZSA-N 1 1 335.408 1.469 20 5 EDBDMO C[C@H]1NC(=O)N(CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1=O ZINC000459364975 320347386 /nfs/dbraw/zinc/34/73/86/320347386.db2.gz KXXCNOVLYAJBSV-LLVKDONJSA-N 1 1 332.360 1.500 20 5 EDBDMO C[C@H]1NC(=O)N(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1=O ZINC000459364975 320347387 /nfs/dbraw/zinc/34/73/87/320347387.db2.gz KXXCNOVLYAJBSV-LLVKDONJSA-N 1 1 332.360 1.500 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491564753 320372470 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343.387 1.837 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000288312482 443840694 /nfs/dbraw/zinc/84/06/94/443840694.db2.gz IPBGIQCGXWUAHM-UHFFFAOYSA-N 1 1 343.387 1.837 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000288312482 443840697 /nfs/dbraw/zinc/84/06/97/443840697.db2.gz IPBGIQCGXWUAHM-UHFFFAOYSA-N 1 1 343.387 1.837 20 5 EDBDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000292964364 443890198 /nfs/dbraw/zinc/89/01/98/443890198.db2.gz FZFBTSWNESUQQJ-KRWDZBQOSA-N 1 1 335.404 1.924 20 5 EDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533478564 320691020 /nfs/dbraw/zinc/69/10/20/320691020.db2.gz TYTMYAAVCLHKQL-UHFFFAOYSA-N 1 1 346.343 1.991 20 5 EDBDMO CCN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293196107 443949045 /nfs/dbraw/zinc/94/90/45/443949045.db2.gz QMDSXPRZLLLEIP-UHFFFAOYSA-N 1 1 348.403 1.221 20 5 EDBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 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PZJHWBBYHSOTQV-CABCVRRESA-N 1 1 349.387 1.457 20 5 EDBDMO CC1=CC[N@@H+](CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000302181683 444207797 /nfs/dbraw/zinc/20/77/97/444207797.db2.gz YSWITIRPLULALI-UHFFFAOYSA-N 1 1 340.405 1.306 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@H]1C ZINC000301446766 444172506 /nfs/dbraw/zinc/17/25/06/444172506.db2.gz ZQOBFKWHDRLTJC-GHMZBOCLSA-N 1 1 347.375 1.135 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@H]1C ZINC000301446766 444172508 /nfs/dbraw/zinc/17/25/08/444172508.db2.gz ZQOBFKWHDRLTJC-GHMZBOCLSA-N 1 1 347.375 1.135 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000289624068 444182682 /nfs/dbraw/zinc/18/26/82/444182682.db2.gz LULAURXPPOUIMJ-LLVKDONJSA-N 1 1 339.396 1.193 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000289624068 444182684 /nfs/dbraw/zinc/18/26/84/444182684.db2.gz LULAURXPPOUIMJ-LLVKDONJSA-N 1 1 339.396 1.193 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301899894 444195833 /nfs/dbraw/zinc/19/58/33/444195833.db2.gz UEPOMCQXUMWEAS-GFCCVEGCSA-N 1 1 341.433 1.776 20 5 EDBDMO COc1cc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301971431 444198581 /nfs/dbraw/zinc/19/85/81/444198581.db2.gz SIQRNFJBWZCLSG-OAHLLOKOSA-N 1 1 348.403 1.522 20 5 EDBDMO COc1cc(C(=O)NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])cc1F ZINC000296023752 444199703 /nfs/dbraw/zinc/19/97/03/444199703.db2.gz RLZMZQKGMWZOPE-UHFFFAOYSA-N 1 1 341.339 1.195 20 5 EDBDMO COc1cc(C(=O)NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])cc1F ZINC000296023752 444199706 /nfs/dbraw/zinc/19/97/06/444199706.db2.gz RLZMZQKGMWZOPE-UHFFFAOYSA-N 1 1 341.339 1.195 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000304359631 444248035 /nfs/dbraw/zinc/24/80/35/444248035.db2.gz TUKKJWAKQAFHLP-WBVHZDCISA-N 1 1 330.388 1.859 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000290266607 444260813 /nfs/dbraw/zinc/26/08/13/444260813.db2.gz DJSZHFRWYJMGBE-GFCCVEGCSA-N 1 1 336.392 1.687 20 5 EDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302822788 444225958 /nfs/dbraw/zinc/22/59/58/444225958.db2.gz SXANPVMZKARQIB-AWEZNQCLSA-N 1 1 336.367 1.477 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)c1C ZINC000317502686 444315926 /nfs/dbraw/zinc/31/59/26/444315926.db2.gz VHKZJGFUVSSZMF-UHFFFAOYSA-N 1 1 327.406 1.584 20 5 EDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290834147 444328270 /nfs/dbraw/zinc/32/82/70/444328270.db2.gz NCHARLJAPGRRDK-LBPRGKRZSA-N 1 1 336.392 1.770 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000332120005 444501718 /nfs/dbraw/zinc/50/17/18/444501718.db2.gz FLQQNKFSWOEWFQ-HZPDHXFCSA-N 1 1 348.403 1.247 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000340853988 444544623 /nfs/dbraw/zinc/54/46/23/444544623.db2.gz KJZGZIJYZWKGNA-GFCCVEGCSA-N 1 1 337.424 1.809 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1C ZINC000343982734 444708442 /nfs/dbraw/zinc/70/84/42/444708442.db2.gz OVFVWPFTNWQJEM-OLZOCXBDSA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1C ZINC000343982734 444708444 /nfs/dbraw/zinc/70/84/44/444708444.db2.gz OVFVWPFTNWQJEM-OLZOCXBDSA-N 1 1 341.433 1.973 20 5 EDBDMO CN(C)c1nccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000341195051 444722283 /nfs/dbraw/zinc/72/22/83/444722283.db2.gz VACHOCMKLHEJEZ-CYBMUJFWSA-N 1 1 343.391 1.532 20 5 EDBDMO CN(C)c1nccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000341195051 444722288 /nfs/dbraw/zinc/72/22/88/444722288.db2.gz VACHOCMKLHEJEZ-CYBMUJFWSA-N 1 1 343.391 1.532 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](F)(CO)C1 ZINC000338597875 444766828 /nfs/dbraw/zinc/76/68/28/444766828.db2.gz YLZQRMFCLNPWIT-OAHLLOKOSA-N 1 1 325.340 1.638 20 5 EDBDMO C[C@H]1[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000344132970 444799406 /nfs/dbraw/zinc/79/94/06/444799406.db2.gz XVUKHQRJBSSWMB-SWLSCSKDSA-N 1 1 341.433 1.539 20 5 EDBDMO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000342630337 444787357 /nfs/dbraw/zinc/78/73/57/444787357.db2.gz JAZFYFHJQGDKKE-LLVKDONJSA-N 1 1 348.359 1.731 20 5 EDBDMO C[C@H]([NH2+]CC(=O)NCC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000341569728 444899571 /nfs/dbraw/zinc/89/95/71/444899571.db2.gz CXCNQMBHWUVHSD-NSHDSACASA-N 1 1 336.392 1.276 20 5 EDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000330575072 445042356 /nfs/dbraw/zinc/04/23/56/445042356.db2.gz FWIQYDAQSQBVBR-STQMWFEESA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000330575072 445042362 /nfs/dbraw/zinc/04/23/62/445042362.db2.gz FWIQYDAQSQBVBR-STQMWFEESA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000343149620 445098022 /nfs/dbraw/zinc/09/80/22/445098022.db2.gz HYTVQZVOUDJIFC-DGCLKSJQSA-N 1 1 329.360 1.883 20 5 EDBDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343149620 445098026 /nfs/dbraw/zinc/09/80/26/445098026.db2.gz HYTVQZVOUDJIFC-DGCLKSJQSA-N 1 1 329.360 1.883 20 5 EDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343149620 445098030 /nfs/dbraw/zinc/09/80/30/445098030.db2.gz HYTVQZVOUDJIFC-DGCLKSJQSA-N 1 1 329.360 1.883 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000351872418 445349373 /nfs/dbraw/zinc/34/93/73/445349373.db2.gz AUSFVGGTBMDHLR-LLVKDONJSA-N 1 1 341.433 1.973 20 5 EDBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC(C)(C)C1 ZINC000351949548 445394504 /nfs/dbraw/zinc/39/45/04/445394504.db2.gz QFNNSVKLGAQDDU-GXTWGEPZSA-N 1 1 326.397 1.432 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000352068059 445470128 /nfs/dbraw/zinc/47/01/28/445470128.db2.gz NAXXHODYPWLMCS-STQMWFEESA-N 1 1 341.433 1.973 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000352068059 445470132 /nfs/dbraw/zinc/47/01/32/445470132.db2.gz NAXXHODYPWLMCS-STQMWFEESA-N 1 1 341.433 1.973 20 5 EDBDMO C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000355636209 445471455 /nfs/dbraw/zinc/47/14/55/445471455.db2.gz RGGHKAVDCPHCQB-ZDUSSCGKSA-N 1 1 341.433 1.493 20 5 EDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC1(O)CCC1 ZINC000353528542 445643676 /nfs/dbraw/zinc/64/36/76/445643676.db2.gz TXWVPCBLADKZLC-UHFFFAOYSA-N 1 1 335.360 1.740 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000360258164 445661917 /nfs/dbraw/zinc/66/19/17/445661917.db2.gz OEFUBOQHBSUCEP-QWHCGFSZSA-N 1 1 341.433 1.973 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000361660576 445865854 /nfs/dbraw/zinc/86/58/54/445865854.db2.gz LCRGLBNSSJTVJZ-AAEUAGOBSA-N 1 1 338.360 1.207 20 5 EDBDMO Cc1ccnc(N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000361832116 445988378 /nfs/dbraw/zinc/98/83/78/445988378.db2.gz ZRASEGOCBDZQBW-HNNXBMFYSA-N 1 1 333.436 1.762 20 5 EDBDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356760851 445992013 /nfs/dbraw/zinc/99/20/13/445992013.db2.gz FJGQKOZLDSNXCK-WQVCFCJDSA-N 1 1 349.387 1.624 20 5 EDBDMO COC(=O)c1cnc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000373059718 445999830 /nfs/dbraw/zinc/99/98/30/445999830.db2.gz RAKCXCVFJNEDFX-LLVKDONJSA-N 1 1 345.359 1.894 20 5 EDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000356812650 446043305 /nfs/dbraw/zinc/04/33/05/446043305.db2.gz JMKAKLWDNUOEJK-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000356812650 446043313 /nfs/dbraw/zinc/04/33/13/446043313.db2.gz JMKAKLWDNUOEJK-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583188211 326020422 /nfs/dbraw/zinc/02/04/22/326020422.db2.gz VRVLBOAAWTVXMP-MJBXVCDLSA-N 1 1 335.404 1.612 20 5 EDBDMO C[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583188211 326020423 /nfs/dbraw/zinc/02/04/23/326020423.db2.gz VRVLBOAAWTVXMP-MJBXVCDLSA-N 1 1 335.404 1.612 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000583600463 326101398 /nfs/dbraw/zinc/10/13/98/326101398.db2.gz ISINEQGKBKTMGN-QGZVFWFLSA-N 1 1 348.403 1.711 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000583607250 326103190 /nfs/dbraw/zinc/10/31/90/326103190.db2.gz OUOAOZWASIEMKE-CZUORRHYSA-N 1 1 335.404 1.925 20 5 EDBDMO CC(C)N1C(=O)N[C@@]2(CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000361926383 446075750 /nfs/dbraw/zinc/07/57/50/446075750.db2.gz JIOUZBJOQNTMIZ-QGZVFWFLSA-N 1 1 346.387 1.542 20 5 EDBDMO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000351578503 446175727 /nfs/dbraw/zinc/17/57/27/446175727.db2.gz CCYIBDHLSLYKMR-NOZJJQNGSA-N 1 1 338.339 1.271 20 5 EDBDMO CCc1n[nH]c(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2CC)c1[N+](=O)[O-] ZINC000365534754 446243828 /nfs/dbraw/zinc/24/38/28/446243828.db2.gz OUALFHNUQWMYPF-NEPJUHHUSA-N 1 1 335.408 1.969 20 5 EDBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2CC)c1[N+](=O)[O-] ZINC000365534754 446243831 /nfs/dbraw/zinc/24/38/31/446243831.db2.gz OUALFHNUQWMYPF-NEPJUHHUSA-N 1 1 335.408 1.969 20 5 EDBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2CC)c1[N+](=O)[O-] ZINC000365534754 446243834 /nfs/dbraw/zinc/24/38/34/446243834.db2.gz OUALFHNUQWMYPF-NEPJUHHUSA-N 1 1 335.408 1.969 20 5 EDBDMO NC(=O)c1ncn([C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000370429538 446274514 /nfs/dbraw/zinc/27/45/14/446274514.db2.gz BDRXHTQFADLCKU-CQSZACIVSA-N 1 1 344.375 1.165 20 5 EDBDMO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000376345835 446444656 /nfs/dbraw/zinc/44/46/56/446444656.db2.gz CYLWECQINSUZTK-WDEREUQCSA-N 1 1 345.446 1.904 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000366929922 446414775 /nfs/dbraw/zinc/41/47/75/446414775.db2.gz NIRUPWMPNPPDEH-SQWLQELKSA-N 1 1 336.388 1.978 20 5 EDBDMO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000376407464 446479656 /nfs/dbraw/zinc/47/96/56/446479656.db2.gz MLQAGKDICPBRKX-SOLBZPMBSA-N 1 1 329.400 1.776 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000376407464 446479664 /nfs/dbraw/zinc/47/96/64/446479664.db2.gz MLQAGKDICPBRKX-SOLBZPMBSA-N 1 1 329.400 1.776 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000376407464 446479669 /nfs/dbraw/zinc/47/96/69/446479669.db2.gz MLQAGKDICPBRKX-SOLBZPMBSA-N 1 1 329.400 1.776 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)c1 ZINC000619252171 450434613 /nfs/dbraw/zinc/43/46/13/450434613.db2.gz FWUUKJYTVZNRCW-HIFRSBDPSA-N 1 1 337.351 1.862 20 5 EDBDMO Cn1cc([C@H]2[C@H](CNc3ncc([N+](=O)[O-])cn3)CCC[N@H+]2C)cn1 ZINC000368181096 446690131 /nfs/dbraw/zinc/69/01/31/446690131.db2.gz QLVYWGLVYMOWNI-SMDDNHRTSA-N 1 1 331.380 1.613 20 5 EDBDMO COc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000619252219 450434751 /nfs/dbraw/zinc/43/47/51/450434751.db2.gz HOEGSPRPQVWUIX-STQMWFEESA-N 1 1 337.351 1.862 20 5 EDBDMO COC(=O)[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411904315 446712605 /nfs/dbraw/zinc/71/26/05/446712605.db2.gz LQXUONNQQWDSRQ-NSHDSACASA-N 1 1 325.340 1.271 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371283807 446741608 /nfs/dbraw/zinc/74/16/08/446741608.db2.gz LVEXRKFAKIBRMD-VNQPRFMTSA-N 1 1 332.404 1.173 20 5 EDBDMO CC(C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000412071721 446832895 /nfs/dbraw/zinc/83/28/95/446832895.db2.gz HTPOHGKEMGHNQO-CYBMUJFWSA-N 1 1 334.376 1.183 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000368473814 446883829 /nfs/dbraw/zinc/88/38/29/446883829.db2.gz KFJVMZSVPKRFIW-MRXNPFEDSA-N 1 1 335.360 1.389 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000368473814 446883836 /nfs/dbraw/zinc/88/38/36/446883836.db2.gz KFJVMZSVPKRFIW-MRXNPFEDSA-N 1 1 335.360 1.389 20 5 EDBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(C)CCC1 ZINC000420970611 446940527 /nfs/dbraw/zinc/94/05/27/446940527.db2.gz GDCLPBTYFKYMJN-UHFFFAOYSA-N 1 1 341.433 1.995 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000420999816 446976578 /nfs/dbraw/zinc/97/65/78/446976578.db2.gz JTUONFWHKKMNSR-ZDUSSCGKSA-N 1 1 336.392 1.568 20 5 EDBDMO COc1ccc(NC(=O)CN(C)C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000421016639 446987398 /nfs/dbraw/zinc/98/73/98/446987398.db2.gz YNQZRLOVFTYAHN-LBPRGKRZSA-N 1 1 336.392 1.568 20 5 EDBDMO C[N@H+]1CCN(CCNc2ncc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000368707260 447055301 /nfs/dbraw/zinc/05/53/01/447055301.db2.gz PESCNWJEQOYYKE-INIZCTEOSA-N 1 1 342.403 1.785 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000425348713 447123584 /nfs/dbraw/zinc/12/35/84/447123584.db2.gz CIJTVXHFJQBLAZ-JTQLQIEISA-N 1 1 333.348 1.720 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c2c(c1)COCO2 ZINC000425346678 447124030 /nfs/dbraw/zinc/12/40/30/447124030.db2.gz GHSQEBCOZGOFRG-CQSZACIVSA-N 1 1 345.359 1.890 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c2c(c1)COCO2 ZINC000425346678 447124036 /nfs/dbraw/zinc/12/40/36/447124036.db2.gz GHSQEBCOZGOFRG-CQSZACIVSA-N 1 1 345.359 1.890 20 5 EDBDMO C[N@H+]1C[C@@H]2CCCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)[C@@H]2C1 ZINC000425286035 447096738 /nfs/dbraw/zinc/09/67/38/447096738.db2.gz POCNPBRSNVXNAQ-IINYFYTJSA-N 1 1 329.360 1.774 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000377624082 447252555 /nfs/dbraw/zinc/25/25/55/447252555.db2.gz FUDRITHNXHHNIT-OCCSQVGLSA-N 1 1 346.387 1.300 20 5 EDBDMO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000376052572 447238349 /nfs/dbraw/zinc/23/83/49/447238349.db2.gz GZMQAUCNZXYYQL-CDMKHQONSA-N 1 1 334.332 1.602 20 5 EDBDMO CNc1nc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000456036875 447287778 /nfs/dbraw/zinc/28/77/78/447287778.db2.gz KNMRDPLDTDIFNN-GFCCVEGCSA-N 1 1 333.392 1.778 20 5 EDBDMO C[C@@H](CN1CC[NH+](C)CC1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450316583 447451982 /nfs/dbraw/zinc/45/19/82/447451982.db2.gz HSMDWGPASHHANY-ZDUSSCGKSA-N 1 1 329.404 2.191 20 5 EDBDMO C[N@@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000450419798 447484242 /nfs/dbraw/zinc/48/42/42/447484242.db2.gz PEGAMANDIDYEBX-UHFFFAOYSA-N 1 1 341.371 1.772 20 5 EDBDMO Cc1nn(CCC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000457119179 447524611 /nfs/dbraw/zinc/52/46/11/447524611.db2.gz NFESVAXICJDYCR-CQSZACIVSA-N 1 1 337.424 1.739 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000416290649 447555287 /nfs/dbraw/zinc/55/52/87/447555287.db2.gz GXOBGMDYUCMKGF-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000416290649 447555295 /nfs/dbraw/zinc/55/52/95/447555295.db2.gz GXOBGMDYUCMKGF-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H](NC(=O)N1CC[N@H+](CCO)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000457846070 447647210 /nfs/dbraw/zinc/64/72/10/447647210.db2.gz GQRMSACCKVTYFH-CHWSQXEVSA-N 1 1 336.392 1.364 20 5 EDBDMO C[C@@H](NC(=O)N1CC[N@@H+](CCO)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000457846070 447647216 /nfs/dbraw/zinc/64/72/16/447647216.db2.gz GQRMSACCKVTYFH-CHWSQXEVSA-N 1 1 336.392 1.364 20 5 EDBDMO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000451260463 447717769 /nfs/dbraw/zinc/71/77/69/447717769.db2.gz UODDBISGWCGHMK-SMDDNHRTSA-N 1 1 337.376 1.635 20 5 EDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000451260463 447717771 /nfs/dbraw/zinc/71/77/71/447717771.db2.gz UODDBISGWCGHMK-SMDDNHRTSA-N 1 1 337.376 1.635 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(c3cccc(S(C)(=O)=O)c3[N+](=O)[O-])C2)C1 ZINC000488776439 447850412 /nfs/dbraw/zinc/85/04/12/447850412.db2.gz NZZAHSYKWGIQRZ-HNNXBMFYSA-N 1 1 339.417 1.530 20 5 EDBDMO C[C@H]1CC[N@@H+](CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000525804978 448028544 /nfs/dbraw/zinc/02/85/44/448028544.db2.gz ZOTLTYMUXFVELP-ZDUSSCGKSA-N 1 1 348.403 1.173 20 5 EDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000531370217 448071799 /nfs/dbraw/zinc/07/17/99/448071799.db2.gz TUVCIJXHIATQGT-UHFFFAOYSA-N 1 1 334.351 1.934 20 5 EDBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC12CCCCC2 ZINC000576766133 448135073 /nfs/dbraw/zinc/13/50/73/448135073.db2.gz OHVUHXKLPSKFMJ-UHFFFAOYSA-N 1 1 334.420 1.707 20 5 EDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591263793 448301355 /nfs/dbraw/zinc/30/13/55/448301355.db2.gz TVDOUMRARCMJPF-LLVKDONJSA-N 1 1 335.360 1.276 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000591532877 448384449 /nfs/dbraw/zinc/38/44/49/448384449.db2.gz BTKLVGJDTVRSLC-UHFFFAOYSA-N 1 1 335.404 1.740 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000591532877 448384454 /nfs/dbraw/zinc/38/44/54/448384454.db2.gz BTKLVGJDTVRSLC-UHFFFAOYSA-N 1 1 335.404 1.740 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOC[C@@H]3CCCO3)C2)nc1 ZINC000533378614 448394827 /nfs/dbraw/zinc/39/48/27/448394827.db2.gz 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Nc1ncc2c(n1)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000598950557 449666777 /nfs/dbraw/zinc/66/67/77/449666777.db2.gz RQNWUAHDCMSGMW-UHFFFAOYSA-N 1 1 329.360 1.794 20 5 EDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCO[C@H](Cn4cncn4)C3)c2c1 ZINC000601114751 449698047 /nfs/dbraw/zinc/69/80/47/449698047.db2.gz UGEQMQIICGHLBA-ZDUSSCGKSA-N 1 1 340.343 1.640 20 5 EDBDMO CN(C)C(=O)C[NH+]1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601116830 449699735 /nfs/dbraw/zinc/69/97/35/449699735.db2.gz YGBYNIRKZPOKSK-UHFFFAOYSA-N 1 1 325.344 1.093 20 5 EDBDMO COCCO[C@H]1COCC[C@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601147673 449716864 /nfs/dbraw/zinc/71/68/64/449716864.db2.gz VSICHIDRPCTHGA-SJORKVTESA-N 1 1 347.371 1.797 20 5 EDBDMO CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000595110177 449873927 /nfs/dbraw/zinc/87/39/27/449873927.db2.gz JAPOAONVEYPUDM-CYBMUJFWSA-N 1 1 334.376 1.394 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601341980 449851645 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CCC[N@H+]1CC[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595501345 450190115 /nfs/dbraw/zinc/19/01/15/450190115.db2.gz OKZIVLJSLBMFBO-CYBMUJFWSA-N 1 1 336.392 1.757 20 5 EDBDMO CN(C(=O)CN1CCN(c2[nH]cc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000618903222 450332893 /nfs/dbraw/zinc/33/28/93/450332893.db2.gz CSBLPXKXANRTJF-UHFFFAOYSA-N 1 1 344.375 1.103 20 5 EDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603499235 450314859 /nfs/dbraw/zinc/31/48/59/450314859.db2.gz PPXKDCYKRREJAK-CQSZACIVSA-N 1 1 349.387 1.297 20 5 EDBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000619498522 450492713 /nfs/dbraw/zinc/49/27/13/450492713.db2.gz UMQJWMWDSKSENA-UHFFFAOYSA-N 1 1 331.394 1.222 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000264927797 536409047 /nfs/dbraw/zinc/40/90/47/536409047.db2.gz OCDPBKMTKJFBIT-NSHDSACASA-N 1 1 326.784 1.224 20 5 EDBDMO C[N@H+]1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000248141005 536454384 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348.403 1.572 20 5 EDBDMO C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896567865 591529616 /nfs/dbraw/zinc/52/96/16/591529616.db2.gz ITYGQMNIEZWFDW-ABAIWWIYSA-N 1 1 345.403 1.440 20 5 EDBDMO CNc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896582717 591541399 /nfs/dbraw/zinc/54/13/99/591541399.db2.gz YHEOOJBMNUQLBU-ABAIWWIYSA-N 1 1 335.408 1.001 20 5 EDBDMO CNC(=O)c1ccc(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895247159 591679533 /nfs/dbraw/zinc/67/95/33/591679533.db2.gz FEBJLGIEVIIFGO-XHDPSFHLSA-N 1 1 335.408 1.001 20 5 EDBDMO CNC(=O)c1ccc(N[C@@H](C)[C@H]2CN(C)CCN2C)c([N+](=O)[O-])c1 ZINC000895247159 591679534 /nfs/dbraw/zinc/67/95/34/591679534.db2.gz FEBJLGIEVIIFGO-XHDPSFHLSA-N 1 1 335.408 1.001 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(C[NH+]3CCOCC3)C2)c1C ZINC000897820692 591682891 /nfs/dbraw/zinc/68/28/91/591682891.db2.gz DNLHACATHFZBHD-UHFFFAOYSA-N 1 1 333.388 1.616 20 5 EDBDMO CCO[C@H]1CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000902527158 592010605 /nfs/dbraw/zinc/01/06/05/592010605.db2.gz DRFJNDFHGLSQAE-HOTGVXAUSA-N 1 1 333.388 1.979 20 5 EDBDMO CCO[C@H]1CC[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000902527158 592010608 /nfs/dbraw/zinc/01/06/08/592010608.db2.gz DRFJNDFHGLSQAE-HOTGVXAUSA-N 1 1 333.388 1.979 20 5 EDBDMO COc1cc([C@H](C)[NH2+]CCS(=O)(=O)C2CC2)cc([N+](=O)[O-])c1 ZINC000903189940 592136096 /nfs/dbraw/zinc/13/60/96/592136096.db2.gz LGMAOFCEBDLOLR-JTQLQIEISA-N 1 1 328.390 1.831 20 5 EDBDMO O=[N+]([O-])CC[NH2+]Cc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000905090353 592393670 /nfs/dbraw/zinc/39/36/70/592393670.db2.gz RUGXYNPBHXXNKE-UHFFFAOYSA-N 1 1 327.406 1.228 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000907193684 592552997 /nfs/dbraw/zinc/55/29/97/592552997.db2.gz SFSFCTBSHKTWPG-DTWKUNHWSA-N 1 1 326.784 1.995 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000907193684 592552998 /nfs/dbraw/zinc/55/29/98/592552998.db2.gz SFSFCTBSHKTWPG-DTWKUNHWSA-N 1 1 326.784 1.995 20 5 EDBDMO CC[C@@](O)(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F ZINC000905905150 592675347 /nfs/dbraw/zinc/67/53/47/592675347.db2.gz OMFGGMZMHZUJRK-CYBMUJFWSA-N 1 1 348.325 1.815 20 5 EDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736856581 593042754 /nfs/dbraw/zinc/04/27/54/593042754.db2.gz KRSQZSZFFAZACO-NSHDSACASA-N 1 1 331.380 1.553 20 5 EDBDMO COC(=O)[C@@]1(C)CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000840183828 593356552 /nfs/dbraw/zinc/35/65/52/593356552.db2.gz IGEYWHSBKFYLNZ-INIZCTEOSA-N 1 1 347.375 1.881 20 5 EDBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000840183828 593356553 /nfs/dbraw/zinc/35/65/53/593356553.db2.gz IGEYWHSBKFYLNZ-INIZCTEOSA-N 1 1 347.375 1.881 20 5 EDBDMO C[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000804634832 593429273 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C[N@H+]1CCC[C@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC[C@H]21 ZINC000821625819 593886767 /nfs/dbraw/zinc/88/67/67/593886767.db2.gz WIZOXIONODADRH-CMPLNLGQSA-N 1 1 344.379 1.090 20 5 EDBDMO O=C(NC1CC([NH+]2CCOCC2)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000823627410 594222858 /nfs/dbraw/zinc/22/28/58/594222858.db2.gz MZYRFTIQSUOLNI-BNICSPFPSA-N 1 1 345.399 1.678 20 5 EDBDMO CN(C)C(=O)N[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832549339 594758353 /nfs/dbraw/zinc/75/83/53/594758353.db2.gz BSCRFGKLTZYJLI-ZFWWWQNUSA-N 1 1 336.392 1.364 20 5 EDBDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832549339 594758354 /nfs/dbraw/zinc/75/83/54/594758354.db2.gz BSCRFGKLTZYJLI-ZFWWWQNUSA-N 1 1 336.392 1.364 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833565814 594875481 /nfs/dbraw/zinc/87/54/81/594875481.db2.gz MFJVYNLYYBUEHJ-LBPRGKRZSA-N 1 1 341.795 1.825 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000846652291 595293775 /nfs/dbraw/zinc/29/37/75/595293775.db2.gz MGFZKXUMLXQKIA-CZUORRHYSA-N 1 1 326.356 1.549 20 5 EDBDMO C[C@@H]1COCC[N@H+]1C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846910971 595336440 /nfs/dbraw/zinc/33/64/40/595336440.db2.gz FXJQSXAWBIMPTF-RDTXWAMCSA-N 1 1 349.431 1.813 20 5 EDBDMO C[C@@H]1COCCN1C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846910971 595336443 /nfs/dbraw/zinc/33/64/43/595336443.db2.gz FXJQSXAWBIMPTF-RDTXWAMCSA-N 1 1 349.431 1.813 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490276 595394655 /nfs/dbraw/zinc/39/46/55/595394655.db2.gz YITQRSBDYWBDJW-SJORKVTESA-N 1 1 346.431 1.894 20 5 EDBDMO Cc1nn(CN2CC[NH+]([C@H]3CCOC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000853554099 595798621 /nfs/dbraw/zinc/79/86/21/595798621.db2.gz UZBBANMJBNUTNH-ZDUSSCGKSA-N 1 1 346.391 1.012 20 5 EDBDMO C[N@H+](C[C@H]1COCCO1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000853558044 595802713 /nfs/dbraw/zinc/80/27/13/595802713.db2.gz PZDMUCBIHNDVCQ-INIZCTEOSA-N 1 1 332.360 1.763 20 5 EDBDMO C[N@@H+](C[C@H]1COCCO1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000853558044 595802716 /nfs/dbraw/zinc/80/27/16/595802716.db2.gz PZDMUCBIHNDVCQ-INIZCTEOSA-N 1 1 332.360 1.763 20 5 EDBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CC[C@H]3C[C@H]3C2)C1=O ZINC000853576915 595811081 /nfs/dbraw/zinc/81/10/81/595811081.db2.gz GWGHMXRQCNHGTP-NVGCLXPQSA-N 1 1 344.371 1.661 20 5 EDBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CC[C@H]3C[C@H]3C2)C1=O ZINC000853576915 595811085 /nfs/dbraw/zinc/81/10/85/595811085.db2.gz GWGHMXRQCNHGTP-NVGCLXPQSA-N 1 1 344.371 1.661 20 5 EDBDMO COC(=O)CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C1CCOCC1 ZINC000851792348 595925187 /nfs/dbraw/zinc/92/51/87/595925187.db2.gz KQPSOZMVYILSDI-UHFFFAOYSA-N 1 1 327.337 1.435 20 5 EDBDMO COC(=O)CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C1CCOCC1 ZINC000851792348 595925189 /nfs/dbraw/zinc/92/51/89/595925189.db2.gz KQPSOZMVYILSDI-UHFFFAOYSA-N 1 1 327.337 1.435 20 5 EDBDMO CNc1c(C(=O)OC[C@]2(C)C[C@@H](OC)C[N@H+]2C)cccc1[N+](=O)[O-] ZINC000861347586 595954615 /nfs/dbraw/zinc/95/46/15/595954615.db2.gz KPALSUOHUVLZGQ-BZNIZROVSA-N 1 1 337.376 1.903 20 5 EDBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000854570612 596123276 /nfs/dbraw/zinc/12/32/76/596123276.db2.gz RFMSAPCFGZIVFS-ZDUSSCGKSA-N 1 1 327.425 1.534 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(N)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000870983942 596429060 /nfs/dbraw/zinc/42/90/60/596429060.db2.gz ZNYWWGSEGYUDSQ-VMGRFDJRSA-N 1 1 332.404 1.321 20 5 EDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000869780618 596631939 /nfs/dbraw/zinc/63/19/39/596631939.db2.gz MODFQLIEJNWVCG-LBPRGKRZSA-N 1 1 341.795 1.823 20 5 EDBDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000119846640 596756981 /nfs/dbraw/zinc/75/69/81/596756981.db2.gz UWPHVGCFRRFHNQ-ZJUUUORDSA-N 1 1 333.435 1.760 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000868283890 596764411 /nfs/dbraw/zinc/76/44/11/596764411.db2.gz JWJKKFLDHFFWBL-CQSZACIVSA-N 1 1 336.392 1.423 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000874168563 596948620 /nfs/dbraw/zinc/94/86/20/596948620.db2.gz DEXYJZSDGWHLQP-IUODEOHRSA-N 1 1 346.387 1.394 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000874173136 596952529 /nfs/dbraw/zinc/95/25/29/596952529.db2.gz FTDDTPJWBSECCB-SWLSCSKDSA-N 1 1 346.387 1.394 20 5 EDBDMO CC(C)[C@H]1CN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC[N@H+]1C ZINC000872738975 597053736 /nfs/dbraw/zinc/05/37/36/597053736.db2.gz WRVDWFULBMRRCU-OAHLLOKOSA-N 1 1 346.387 1.420 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc([N+](=O)[O-])c1 ZINC000874849283 597200702 /nfs/dbraw/zinc/20/07/02/597200702.db2.gz IVZWTAASMHJWGN-GJZGRUSLSA-N 1 1 347.371 1.690 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@H]21 ZINC000877744850 597552536 /nfs/dbraw/zinc/55/25/36/597552536.db2.gz YISUDVJEOCYICD-TZMCWYRMSA-N 1 1 333.388 1.892 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2nnnn2C)CC1 ZINC000877781601 597555848 /nfs/dbraw/zinc/55/58/48/597555848.db2.gz OMDWSGUXVOKWTI-UHFFFAOYSA-N 1 1 346.391 1.897 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000881811143 597734117 /nfs/dbraw/zinc/73/41/17/597734117.db2.gz JZHJMCACZRIBIL-UHFFFAOYSA-N 1 1 347.824 1.929 20 5 EDBDMO O=[N+]([O-])c1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c(Cl)c1 ZINC000880072157 597831370 /nfs/dbraw/zinc/83/13/70/597831370.db2.gz VLYUOEYZGIPAQK-UONOGXRCSA-N 1 1 325.796 1.889 20 5 EDBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880431847 597932511 /nfs/dbraw/zinc/93/25/11/597932511.db2.gz HLXPAPDWNFUMMQ-HEHGZKQESA-N 1 1 340.376 1.070 20 5 EDBDMO O=C1NCC[C@@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000880525445 597954752 /nfs/dbraw/zinc/95/47/52/597954752.db2.gz HENSBINDIUBENQ-BBRMVZONSA-N 1 1 333.388 1.964 20 5 EDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000882489654 597975217 /nfs/dbraw/zinc/97/52/17/597975217.db2.gz SXKWITNZHRRWFK-GFCCVEGCSA-N 1 1 344.371 1.732 20 5 EDBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000882634857 598008128 /nfs/dbraw/zinc/00/81/28/598008128.db2.gz BQZHKXJKYAWPEP-CQSZACIVSA-N 1 1 333.388 1.833 20 5 EDBDMO CC(=O)OC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153252032 695587795 /nfs/dbraw/zinc/58/77/95/695587795.db2.gz YSJCEYCCJIFMQB-NSHDSACASA-N 1 1 335.360 1.949 20 5 EDBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000917292370 696994639 /nfs/dbraw/zinc/99/46/39/696994639.db2.gz KJVFOPOEBWTSJY-KGLIPLIRSA-N 1 1 343.387 1.688 20 5 EDBDMO Cc1[nH+]ccn1CC(=O)NC1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001031390026 697011759 /nfs/dbraw/zinc/01/17/59/697011759.db2.gz FWJVZDRGHRUMPD-UHFFFAOYSA-N 1 1 335.389 1.162 20 5 EDBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000917909206 697105755 /nfs/dbraw/zinc/10/57/55/697105755.db2.gz QGABKHIJNKTYKA-ZFWWWQNUSA-N 1 1 339.417 1.641 20 5 EDBDMO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)nn1C ZINC001031568737 697262365 /nfs/dbraw/zinc/26/23/65/697262365.db2.gz MJJKNKOJOYJWSS-UHFFFAOYSA-N 1 1 343.387 1.499 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1cncnc1 ZINC001031626851 697363541 /nfs/dbraw/zinc/36/35/41/697363541.db2.gz XNSIJGRMGLQWRJ-UHFFFAOYSA-N 1 1 327.344 1.247 20 5 EDBDMO CN(C)c1ccccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996428861 702783177 /nfs/dbraw/zinc/78/31/77/702783177.db2.gz JKYARHJFVIMNPJ-NVXWUHKLSA-N 1 1 346.431 1.498 20 5 EDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CCC(F)(F)F)C[C@H]2CC1 ZINC000946589358 704158602 /nfs/dbraw/zinc/15/86/02/704158602.db2.gz VAUGDKODNAQQNB-YVECIDJPSA-N 1 1 349.353 1.774 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2CC1 ZINC000946589358 704158605 /nfs/dbraw/zinc/15/86/05/704158605.db2.gz VAUGDKODNAQQNB-YVECIDJPSA-N 1 1 349.353 1.774 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CCC(F)(F)F)C[C@H]2CC1 ZINC000946589358 704158608 /nfs/dbraw/zinc/15/86/08/704158608.db2.gz VAUGDKODNAQQNB-YVECIDJPSA-N 1 1 349.353 1.774 20 5 EDBDMO Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000997773110 704674942 /nfs/dbraw/zinc/67/49/42/704674942.db2.gz SXRZEYVPCKVVEM-ZIAGYGMSSA-N 1 1 336.392 1.285 20 5 EDBDMO Cc1nc[nH]c1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001032229985 704931306 /nfs/dbraw/zinc/93/13/06/704931306.db2.gz VHFTWPFGDWYHBG-UHFFFAOYSA-N 1 1 329.360 1.488 20 5 EDBDMO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1cnccn1 ZINC001002257547 708755094 /nfs/dbraw/zinc/75/50/94/708755094.db2.gz FCEAUVJZKHMUAN-UHFFFAOYSA-N 1 1 341.371 1.779 20 5 EDBDMO CC(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000052129267 214118515 /nfs/dbraw/zinc/11/85/15/214118515.db2.gz MGENYEASGFKPBM-UHFFFAOYSA-N 1 1 343.387 1.719 20 5 EDBDMO CC[N@H+]1CC[C@@H](NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 ZINC000412831008 304038806 /nfs/dbraw/zinc/03/88/06/304038806.db2.gz BTNLLESZRDQHKQ-GFCCVEGCSA-N 1 1 344.375 1.308 20 5 EDBDMO Cc1cc(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000184076805 235300332 /nfs/dbraw/zinc/30/03/32/235300332.db2.gz BVQLEEXRYMAWBC-CYBMUJFWSA-N 1 1 349.435 1.241 20 5 EDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000080791764 138264862 /nfs/dbraw/zinc/26/48/62/138264862.db2.gz DHDDTYPSBUMBIZ-UHFFFAOYSA-N 1 1 329.422 1.913 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnc4cnccn34)C2)nc1 ZINC000093534301 138293814 /nfs/dbraw/zinc/29/38/14/138293814.db2.gz IRVZKPBKDIAHLI-GFCCVEGCSA-N 1 1 339.359 1.719 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnc4cnccn34)C2)nc1 ZINC000093534301 138293815 /nfs/dbraw/zinc/29/38/15/138293815.db2.gz IRVZKPBKDIAHLI-GFCCVEGCSA-N 1 1 339.359 1.719 20 5 EDBDMO CNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000029163335 202182354 /nfs/dbraw/zinc/18/23/54/202182354.db2.gz KJLUMCCRKCQSHF-NSHDSACASA-N 1 1 334.376 1.380 20 5 EDBDMO Cn1cc(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000174928726 138689547 /nfs/dbraw/zinc/68/95/47/138689547.db2.gz DFKZPQJQVHEALE-UHFFFAOYSA-N 1 1 331.376 1.529 20 5 EDBDMO NC(=O)c1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363414787 283379707 /nfs/dbraw/zinc/37/97/07/283379707.db2.gz RKWUZUHZALAIOQ-MELADBBJSA-N 1 1 330.388 1.614 20 5 EDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000041668544 201093849 /nfs/dbraw/zinc/09/38/49/201093849.db2.gz BLIATTNUABXWOX-LBPRGKRZSA-N 1 1 334.376 1.381 20 5 EDBDMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000067393841 201159062 /nfs/dbraw/zinc/15/90/62/201159062.db2.gz XINFABMFYQAJOV-ZDUSSCGKSA-N 1 1 348.403 1.690 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000154230958 201395586 /nfs/dbraw/zinc/39/55/86/201395586.db2.gz KLTJBMAMOXKOOZ-NSHDSACASA-N 1 1 345.396 1.805 20 5 EDBDMO C[C@@H]1CN(CC[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000195309768 139013548 /nfs/dbraw/zinc/01/35/48/139013548.db2.gz URKXREIRHSDNKJ-VBQJREDUSA-N 1 1 337.420 1.669 20 5 EDBDMO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000127864863 205121503 /nfs/dbraw/zinc/12/15/03/205121503.db2.gz CPRCREQGBCSNRW-OCCSQVGLSA-N 1 1 349.387 1.727 20 5 EDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000131422615 205288211 /nfs/dbraw/zinc/28/82/11/205288211.db2.gz RQZBPLGIYXVDHJ-ZDUSSCGKSA-N 1 1 337.376 1.132 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000246739122 139119706 /nfs/dbraw/zinc/11/97/06/139119706.db2.gz PJDHHLURGUDOMY-CZUORRHYSA-N 1 1 331.376 1.632 20 5 EDBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000161140053 206329848 /nfs/dbraw/zinc/32/98/48/206329848.db2.gz LXOIQYYWTZZNPT-YGRLFVJLSA-N 1 1 331.376 1.930 20 5 EDBDMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000161140053 206329850 /nfs/dbraw/zinc/32/98/50/206329850.db2.gz LXOIQYYWTZZNPT-YGRLFVJLSA-N 1 1 331.376 1.930 20 5 EDBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000161140053 206329853 /nfs/dbraw/zinc/32/98/53/206329853.db2.gz LXOIQYYWTZZNPT-YGRLFVJLSA-N 1 1 331.376 1.930 20 5 EDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457494 139164997 /nfs/dbraw/zinc/16/49/97/139164997.db2.gz MIOJRTBFAFFSQX-OWCLPIDISA-N 1 1 349.431 1.893 20 5 EDBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457494 139164998 /nfs/dbraw/zinc/16/49/98/139164998.db2.gz MIOJRTBFAFFSQX-OWCLPIDISA-N 1 1 349.431 1.893 20 5 EDBDMO C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000261989100 139242213 /nfs/dbraw/zinc/24/22/13/139242213.db2.gz BGDDXEAFFNCIPQ-ZJUUUORDSA-N 1 1 331.369 1.400 20 5 EDBDMO COc1cc[nH+]c(N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000176231322 207203191 /nfs/dbraw/zinc/20/31/91/207203191.db2.gz IMCJJHRGVNFCMP-UHFFFAOYSA-N 1 1 332.364 1.017 20 5 EDBDMO COc1ccnc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000176231322 207203194 /nfs/dbraw/zinc/20/31/94/207203194.db2.gz IMCJJHRGVNFCMP-UHFFFAOYSA-N 1 1 332.364 1.017 20 5 EDBDMO CNC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000420978419 251803893 /nfs/dbraw/zinc/80/38/93/251803893.db2.gz RLUQPMGNGUSJQF-RYUDHWBXSA-N 1 1 334.376 1.298 20 5 EDBDMO CNC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000420978419 251803894 /nfs/dbraw/zinc/80/38/94/251803894.db2.gz RLUQPMGNGUSJQF-RYUDHWBXSA-N 1 1 334.376 1.298 20 5 EDBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263215082 139328734 /nfs/dbraw/zinc/32/87/34/139328734.db2.gz KURXPRSKOPQVKN-NHYWBVRUSA-N 1 1 333.413 1.993 20 5 EDBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000371801452 285084023 /nfs/dbraw/zinc/08/40/23/285084023.db2.gz GQLHRPGIRFQERF-SNVBAGLBSA-N 1 1 343.181 1.273 20 5 EDBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000371801452 285084027 /nfs/dbraw/zinc/08/40/27/285084027.db2.gz GQLHRPGIRFQERF-SNVBAGLBSA-N 1 1 343.181 1.273 20 5 EDBDMO CC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000495259770 255276165 /nfs/dbraw/zinc/27/61/65/255276165.db2.gz BOBFLTIVZOAQTF-ZBEGNZNMSA-N 1 1 337.376 1.777 20 5 EDBDMO CC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000495259770 255276166 /nfs/dbraw/zinc/27/61/66/255276166.db2.gz BOBFLTIVZOAQTF-ZBEGNZNMSA-N 1 1 337.376 1.777 20 5 EDBDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000495617308 255310162 /nfs/dbraw/zinc/31/01/62/255310162.db2.gz PRIILHXTRMYTRE-LBPRGKRZSA-N 1 1 325.369 1.392 20 5 EDBDMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000119642745 221366525 /nfs/dbraw/zinc/36/65/25/221366525.db2.gz LJSZAYWCCHNWHJ-NSHDSACASA-N 1 1 332.364 1.565 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000271938973 140376151 /nfs/dbraw/zinc/37/61/51/140376151.db2.gz WBDFWQBBKDJWEV-UHFFFAOYSA-N 1 1 332.360 1.220 20 5 EDBDMO COC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC000332239089 141145306 /nfs/dbraw/zinc/14/53/06/141145306.db2.gz IDVLEPQRVKPXFN-HUUCEWRRSA-N 1 1 347.371 1.738 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000346643845 143225409 /nfs/dbraw/zinc/22/54/09/143225409.db2.gz FQLRAQHTUKOUTK-CMPLNLGQSA-N 1 1 334.376 1.285 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347050683 143276634 /nfs/dbraw/zinc/27/66/34/143276634.db2.gz RCGYNYHWZXYNAH-CORIIIEPSA-N 1 1 338.360 1.218 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CC1 ZINC000347098046 143282496 /nfs/dbraw/zinc/28/24/96/143282496.db2.gz KXEGWLXXBLVPCH-LBPRGKRZSA-N 1 1 346.387 1.605 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@@H+](C)CCO)[C@@H]1C ZINC000347169175 143290390 /nfs/dbraw/zinc/29/03/90/143290390.db2.gz NIEWBGUMDMZXJR-FZMZJTMJSA-N 1 1 337.376 1.131 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347307632 143306283 /nfs/dbraw/zinc/30/62/83/143306283.db2.gz TZENPMCGUWXDSA-UHFFFAOYSA-N 1 1 328.344 1.824 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1Cc1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000347323256 143308516 /nfs/dbraw/zinc/30/85/16/143308516.db2.gz APONZHHCNPROSO-XHDPSFHLSA-N 1 1 348.363 1.457 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1Cc1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000347323256 143308517 /nfs/dbraw/zinc/30/85/17/143308517.db2.gz APONZHHCNPROSO-XHDPSFHLSA-N 1 1 348.363 1.457 20 5 EDBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CCCCNC2=O)c([N+](=O)[O-])c1 ZINC000369829558 155194948 /nfs/dbraw/zinc/19/49/48/155194948.db2.gz KWMHGJIYLVKJBA-ZDUSSCGKSA-N 1 1 337.376 1.583 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352697627 149121280 /nfs/dbraw/zinc/12/12/80/149121280.db2.gz LLXCNQHPRIKJDX-XEGUGMAKSA-N 1 1 337.376 1.776 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355355579 150229884 /nfs/dbraw/zinc/22/98/84/150229884.db2.gz ZRLLCFLUOAATAC-HZPDHXFCSA-N 1 1 333.388 1.459 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+](C[C@@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000355762844 150390291 /nfs/dbraw/zinc/39/02/91/150390291.db2.gz UBXOGLQCOPTYKS-GFCCVEGCSA-N 1 1 340.376 1.738 20 5 EDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000357837102 151167483 /nfs/dbraw/zinc/16/74/83/151167483.db2.gz KFBBXSMNCUXQAQ-NEPJUHHUSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000357837102 151167486 /nfs/dbraw/zinc/16/74/86/151167486.db2.gz KFBBXSMNCUXQAQ-NEPJUHHUSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000358055435 151249640 /nfs/dbraw/zinc/24/96/40/151249640.db2.gz MEVHDRIEFZVIFN-BMIGLBTASA-N 1 1 325.340 1.020 20 5 EDBDMO CNc1c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000361209769 152335844 /nfs/dbraw/zinc/33/58/44/152335844.db2.gz HSVZQJLLIUMDQL-LBPRGKRZSA-N 1 1 336.392 1.335 20 5 EDBDMO CCn1nccc1C[N@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000361361157 152372083 /nfs/dbraw/zinc/37/20/83/152372083.db2.gz CJHAYKBSIBUMNA-UHFFFAOYSA-N 1 1 334.376 1.685 20 5 EDBDMO CCn1nccc1C[N@@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000361361157 152372084 /nfs/dbraw/zinc/37/20/84/152372084.db2.gz CJHAYKBSIBUMNA-UHFFFAOYSA-N 1 1 334.376 1.685 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000364554636 153269155 /nfs/dbraw/zinc/26/91/55/153269155.db2.gz ZAMMUIRGNKXMBT-CYBMUJFWSA-N 1 1 336.392 1.824 20 5 EDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2Cn2cncn2)c([N+](=O)[O-])c1 ZINC000364755563 153324581 /nfs/dbraw/zinc/32/45/81/153324581.db2.gz BMTLKDDEPIIBFL-ZDUSSCGKSA-N 1 1 332.320 1.759 20 5 EDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2Cn2cncn2)c([N+](=O)[O-])c1 ZINC000364755563 153324586 /nfs/dbraw/zinc/32/45/86/153324586.db2.gz BMTLKDDEPIIBFL-ZDUSSCGKSA-N 1 1 332.320 1.759 20 5 EDBDMO CNC(=O)C[N@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000367422983 154115542 /nfs/dbraw/zinc/11/55/42/154115542.db2.gz OPKNFYAUWIHCKH-QPJJXVBHSA-N 1 1 332.404 1.362 20 5 EDBDMO CCOc1cccc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000420234729 286573073 /nfs/dbraw/zinc/57/30/73/286573073.db2.gz HKLCXTVUMZBPFE-ZDUSSCGKSA-N 1 1 348.403 1.394 20 5 EDBDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000374610079 157343683 /nfs/dbraw/zinc/34/36/83/157343683.db2.gz GHOWZLVHEJMSAS-WBVHZDCISA-N 1 1 330.388 1.950 20 5 EDBDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352564247 162256226 /nfs/dbraw/zinc/25/62/26/162256226.db2.gz CQOCOYFJSKMSHZ-LBPRGKRZSA-N 1 1 329.422 1.994 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360667717 162296861 /nfs/dbraw/zinc/29/68/61/162296861.db2.gz ZLTLXBWMWGAEHM-WDEREUQCSA-N 1 1 343.405 1.364 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000124036233 222367624 /nfs/dbraw/zinc/36/76/24/222367624.db2.gz LYKJSCUZAZKNHQ-RYUDHWBXSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000124036233 222367628 /nfs/dbraw/zinc/36/76/28/222367628.db2.gz LYKJSCUZAZKNHQ-RYUDHWBXSA-N 1 1 339.417 1.807 20 5 EDBDMO C[C@@H](O)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)CO ZINC000276136747 273151540 /nfs/dbraw/zinc/15/15/40/273151540.db2.gz BLPOCJPOEPYQAE-GHMZBOCLSA-N 1 1 326.349 1.025 20 5 EDBDMO C[C@@H](O)C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)CO ZINC000276136747 273151542 /nfs/dbraw/zinc/15/15/42/273151542.db2.gz BLPOCJPOEPYQAE-GHMZBOCLSA-N 1 1 326.349 1.025 20 5 EDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CC[N@H+]1CC(C)(C)O ZINC000275500676 268352222 /nfs/dbraw/zinc/35/22/22/268352222.db2.gz LFIRQFRYELIDLK-JTQLQIEISA-N 1 1 326.372 1.598 20 5 EDBDMO CCOc1ccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000186819166 272947415 /nfs/dbraw/zinc/94/74/15/272947415.db2.gz ZLELWQVQHYTDGZ-GFCCVEGCSA-N 1 1 337.376 1.132 20 5 EDBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000278016699 273240979 /nfs/dbraw/zinc/24/09/79/273240979.db2.gz ADUCATSZFAOLFW-DOTOQJQBSA-N 1 1 338.404 1.483 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413260806 274227848 /nfs/dbraw/zinc/22/78/48/274227848.db2.gz RIZAOQIMEFHANK-JTQLQIEISA-N 1 1 348.325 1.902 20 5 EDBDMO CCc1ccc(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000284683341 274292897 /nfs/dbraw/zinc/29/28/97/274292897.db2.gz PILABRCUQNBDPO-GJZGRUSLSA-N 1 1 335.404 1.948 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000284847014 274357334 /nfs/dbraw/zinc/35/73/34/274357334.db2.gz QDOIPXIFSILPCR-FVQBIDKESA-N 1 1 336.388 1.835 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000284847014 274357337 /nfs/dbraw/zinc/35/73/37/274357337.db2.gz QDOIPXIFSILPCR-FVQBIDKESA-N 1 1 336.388 1.835 20 5 EDBDMO Cc1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c(N)c([N+](=O)[O-])c1 ZINC000284901274 274379781 /nfs/dbraw/zinc/37/97/81/274379781.db2.gz HGEHWRBHPPBUOV-KBPBESRZSA-N 1 1 334.376 1.031 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000193248321 274723047 /nfs/dbraw/zinc/72/30/47/274723047.db2.gz MJOZTKNNCBXPFU-VIFPVBQESA-N 1 1 333.797 1.539 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000102184074 276130979 /nfs/dbraw/zinc/13/09/79/276130979.db2.gz CIWKQISMHMIMGI-UHFFFAOYSA-N 1 1 343.405 1.366 20 5 EDBDMO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271619510 276991588 /nfs/dbraw/zinc/99/15/88/276991588.db2.gz MJCDVUZLTASEIT-OLZOCXBDSA-N 1 1 348.403 1.325 20 5 EDBDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361637601 279174803 /nfs/dbraw/zinc/17/48/03/279174803.db2.gz AEYOGQSGVQHPCL-DLBZAZTESA-N 1 1 348.378 1.955 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000286905961 288115394 /nfs/dbraw/zinc/11/53/94/288115394.db2.gz LXRMIJOMRJUSNZ-ZFWWWQNUSA-N 1 1 328.340 1.131 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000286905961 288115396 /nfs/dbraw/zinc/11/53/96/288115396.db2.gz LXRMIJOMRJUSNZ-ZFWWWQNUSA-N 1 1 328.340 1.131 20 5 EDBDMO CCOC1CC([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000287082778 288152339 /nfs/dbraw/zinc/15/23/39/288152339.db2.gz WNTSDAFSGGQTHR-UHFFFAOYSA-N 1 1 333.388 1.983 20 5 EDBDMO CCOC1CC([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000287082778 288152341 /nfs/dbraw/zinc/15/23/41/288152341.db2.gz WNTSDAFSGGQTHR-UHFFFAOYSA-N 1 1 333.388 1.983 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000359088654 280398748 /nfs/dbraw/zinc/39/87/48/280398748.db2.gz ADNMEINXJAHXOY-AWEZNQCLSA-N 1 1 347.419 1.349 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000339136693 281261183 /nfs/dbraw/zinc/26/11/83/281261183.db2.gz XSXIECOPTWCEFE-LBPRGKRZSA-N 1 1 334.376 1.572 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000339136693 281261186 /nfs/dbraw/zinc/26/11/86/281261186.db2.gz XSXIECOPTWCEFE-LBPRGKRZSA-N 1 1 334.376 1.572 20 5 EDBDMO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1[NH+]1CCOCC1 ZINC000287866954 288341603 /nfs/dbraw/zinc/34/16/03/288341603.db2.gz NDXZXKSHPNJPGA-ZYHUDNBSSA-N 1 1 349.416 1.756 20 5 EDBDMO O=C(C[N@@H+]1CC[C@H](n2cccn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000291616934 289126773 /nfs/dbraw/zinc/12/67/73/289126773.db2.gz COUKFVIZUSCGHU-HNNXBMFYSA-N 1 1 341.371 1.627 20 5 EDBDMO O=C(C[N@H+]1CC[C@H](n2cccn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000291616934 289126776 /nfs/dbraw/zinc/12/67/76/289126776.db2.gz COUKFVIZUSCGHU-HNNXBMFYSA-N 1 1 341.371 1.627 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000291855254 289197723 /nfs/dbraw/zinc/19/77/23/289197723.db2.gz IFXSOYJCXSGLTM-HNNXBMFYSA-N 1 1 339.417 1.620 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000291900768 289210062 /nfs/dbraw/zinc/21/00/62/289210062.db2.gz KDGWFXRGNKWXGO-AWEZNQCLSA-N 1 1 343.387 1.895 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292086588 289258210 /nfs/dbraw/zinc/25/82/10/289258210.db2.gz GGVCKKIUOFKQFN-GUYCJALGSA-N 1 1 332.404 1.949 20 5 EDBDMO C[N@H+]1CCO[C@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]21 ZINC000343279551 290115290 /nfs/dbraw/zinc/11/52/90/290115290.db2.gz JIVGNYADOMFMRB-KGLIPLIRSA-N 1 1 329.360 1.447 20 5 EDBDMO O=C1NC[C@@H]2C[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC[C@H]12 ZINC000377725461 447318692 /nfs/dbraw/zinc/31/86/92/447318692.db2.gz NWNBTRLEOCUUSB-YPMHNXCESA-N 1 1 343.343 1.213 20 5 EDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC[C@H]12 ZINC000377725461 447318699 /nfs/dbraw/zinc/31/86/99/447318699.db2.gz NWNBTRLEOCUUSB-YPMHNXCESA-N 1 1 343.343 1.213 20 5 EDBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000294315925 303090912 /nfs/dbraw/zinc/09/09/12/303090912.db2.gz WOHVRBJOYFFVHR-QGZVFWFLSA-N 1 1 333.388 1.918 20 5 EDBDMO C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000296259132 303306266 /nfs/dbraw/zinc/30/62/66/303306266.db2.gz OUVFVADOSOWBDE-GFCCVEGCSA-N 1 1 346.387 1.476 20 5 EDBDMO NC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000301332781 303673343 /nfs/dbraw/zinc/67/33/43/303673343.db2.gz BOYATXDLKGNFSG-UHFFFAOYSA-N 1 1 344.318 1.558 20 5 EDBDMO CCCCCNC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440501986 305208286 /nfs/dbraw/zinc/20/82/86/305208286.db2.gz QVQFXZLSKROUPX-ZDUSSCGKSA-N 1 1 335.408 1.782 20 5 EDBDMO CCCCCNC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440501986 305208287 /nfs/dbraw/zinc/20/82/87/305208287.db2.gz QVQFXZLSKROUPX-ZDUSSCGKSA-N 1 1 335.408 1.782 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000447814910 305286118 /nfs/dbraw/zinc/28/61/18/305286118.db2.gz AWLNQUGGFMBZJX-IYBDPMFKSA-N 1 1 346.431 1.425 20 5 EDBDMO C[C@H]([NH2+][C@H](CO)[C@H]1CCCO1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000447912791 305288888 /nfs/dbraw/zinc/28/88/88/305288888.db2.gz HJNYIPSWBOUDMC-ZLKJLUDKSA-N 1 1 348.359 1.835 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000451339616 305340130 /nfs/dbraw/zinc/34/01/30/305340130.db2.gz ILCCVMAOGAJCSM-KLHDSHLOSA-N 1 1 338.408 1.168 20 5 EDBDMO COC(=O)CNC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544339 305352307 /nfs/dbraw/zinc/35/23/07/305352307.db2.gz DWRRBRCGLRYYDJ-ZDUSSCGKSA-N 1 1 335.360 1.063 20 5 EDBDMO COC(=O)CNC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544339 305352308 /nfs/dbraw/zinc/35/23/08/305352308.db2.gz DWRRBRCGLRYYDJ-ZDUSSCGKSA-N 1 1 335.360 1.063 20 5 EDBDMO CO[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000451572615 305354470 /nfs/dbraw/zinc/35/44/70/305354470.db2.gz QTCKZPAWRYLBFF-BLLLJJGKSA-N 1 1 333.388 1.841 20 5 EDBDMO CO[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000451572615 305354471 /nfs/dbraw/zinc/35/44/71/305354471.db2.gz QTCKZPAWRYLBFF-BLLLJJGKSA-N 1 1 333.388 1.841 20 5 EDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723728 305364653 /nfs/dbraw/zinc/36/46/53/305364653.db2.gz BCLNQJISTQZKPF-ZBFHGGJFSA-N 1 1 337.420 1.751 20 5 EDBDMO CC[C@@H]1CN(CC)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723728 305364654 /nfs/dbraw/zinc/36/46/54/305364654.db2.gz BCLNQJISTQZKPF-ZBFHGGJFSA-N 1 1 337.420 1.751 20 5 EDBDMO CC[C@@H]1CN(CC)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723728 305364655 /nfs/dbraw/zinc/36/46/55/305364655.db2.gz BCLNQJISTQZKPF-ZBFHGGJFSA-N 1 1 337.420 1.751 20 5 EDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1ccc([N+](=O)[O-])cc1Cl ZINC000452396163 305397742 /nfs/dbraw/zinc/39/77/42/305397742.db2.gz XWPSTNCBBIZONW-GFCCVEGCSA-N 1 1 341.795 1.825 20 5 EDBDMO CCOCC[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491749842 305577932 /nfs/dbraw/zinc/57/79/32/305577932.db2.gz RAKJQQAYWCMPDZ-VMPITWQZSA-N 1 1 333.388 1.789 20 5 EDBDMO O=C(Cn1c[nH+]c2c1CCCC2)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000542718518 306057165 /nfs/dbraw/zinc/05/71/65/306057165.db2.gz UEGSUQXHFXDNOA-UHFFFAOYSA-N 1 1 344.371 1.865 20 5 EDBDMO CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000069989728 441102059 /nfs/dbraw/zinc/10/20/59/441102059.db2.gz ZUOOOWGORKCEHG-UHFFFAOYSA-N 1 1 334.376 1.476 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000378507952 447438204 /nfs/dbraw/zinc/43/82/04/447438204.db2.gz NZWHKPSPBRHPDB-OCCSQVGLSA-N 1 1 339.417 1.618 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000378507952 447438210 /nfs/dbraw/zinc/43/82/10/447438210.db2.gz NZWHKPSPBRHPDB-OCCSQVGLSA-N 1 1 339.417 1.618 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000072936506 441277402 /nfs/dbraw/zinc/27/74/02/441277402.db2.gz NCNRKWVWWYIHOM-ZDUSSCGKSA-N 1 1 349.387 1.509 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000061650052 441284264 /nfs/dbraw/zinc/28/42/64/441284264.db2.gz SWHBRGMNXFLMQO-QWHCGFSZSA-N 1 1 335.360 1.196 20 5 EDBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000073082742 441291135 /nfs/dbraw/zinc/29/11/35/441291135.db2.gz FPSPFGZSCCJJES-GFCCVEGCSA-N 1 1 349.387 1.367 20 5 EDBDMO CC[N@H+](CCC(=O)OC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000064570294 441384797 /nfs/dbraw/zinc/38/47/97/441384797.db2.gz RSVUEAQPURVNJY-UHFFFAOYSA-N 1 1 335.360 1.369 20 5 EDBDMO CC[N@@H+](CCC(=O)OC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000064570294 441384802 /nfs/dbraw/zinc/38/48/02/441384802.db2.gz RSVUEAQPURVNJY-UHFFFAOYSA-N 1 1 335.360 1.369 20 5 EDBDMO Cc1cccc(C[NH+]2CCN(C(=O)Cn3cnc([N+](=O)[O-])c3)CC2)c1 ZINC000026123321 441367314 /nfs/dbraw/zinc/36/73/14/441367314.db2.gz LPSIRNKIZMYLKO-UHFFFAOYSA-N 1 1 343.387 1.444 20 5 EDBDMO CC(=O)N1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000026160040 441369387 /nfs/dbraw/zinc/36/93/87/441369387.db2.gz SHQOLJPKQGDKMF-UHFFFAOYSA-N 1 1 334.376 1.396 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000052287153 441445057 /nfs/dbraw/zinc/44/50/57/441445057.db2.gz GXXUGRKWVPXOST-UHFFFAOYSA-N 1 1 332.364 1.511 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108406227 441452458 /nfs/dbraw/zinc/45/24/58/441452458.db2.gz AAPQIFRDABVWKV-GFCCVEGCSA-N 1 1 327.406 1.523 20 5 EDBDMO CO[C@]1(C)C[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000076152177 441604491 /nfs/dbraw/zinc/60/44/91/441604491.db2.gz XZWIFAMHLLZRDR-KCQAQPDRSA-N 1 1 326.397 1.288 20 5 EDBDMO C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@@H+](C)C1CC1 ZINC000067276892 441624063 /nfs/dbraw/zinc/62/40/63/441624063.db2.gz CWWOGWCRIFSHLM-LLVKDONJSA-N 1 1 344.375 1.388 20 5 EDBDMO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000114062752 441632681 /nfs/dbraw/zinc/63/26/81/441632681.db2.gz AYAXFUCKZCXZCT-NSHDSACASA-N 1 1 335.360 1.225 20 5 EDBDMO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000114062752 441632685 /nfs/dbraw/zinc/63/26/85/441632685.db2.gz AYAXFUCKZCXZCT-NSHDSACASA-N 1 1 335.360 1.225 20 5 EDBDMO CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000067419433 441639512 /nfs/dbraw/zinc/63/95/12/441639512.db2.gz RTAZOLVVZHQGMC-GXTWGEPZSA-N 1 1 348.403 1.770 20 5 EDBDMO CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000067419433 441639516 /nfs/dbraw/zinc/63/95/16/441639516.db2.gz RTAZOLVVZHQGMC-GXTWGEPZSA-N 1 1 348.403 1.770 20 5 EDBDMO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000055897601 441671829 /nfs/dbraw/zinc/67/18/29/441671829.db2.gz KBRFMGDLUUTFIW-UHFFFAOYSA-N 1 1 343.387 1.976 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000068935599 441871768 /nfs/dbraw/zinc/87/17/68/441871768.db2.gz SWWXWGJVWYCDND-LLVKDONJSA-N 1 1 331.376 1.931 20 5 EDBDMO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000068935599 441871771 /nfs/dbraw/zinc/87/17/71/441871771.db2.gz SWWXWGJVWYCDND-LLVKDONJSA-N 1 1 331.376 1.931 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000068935599 441871775 /nfs/dbraw/zinc/87/17/75/441871775.db2.gz SWWXWGJVWYCDND-LLVKDONJSA-N 1 1 331.376 1.931 20 5 EDBDMO C[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000173713258 441829094 /nfs/dbraw/zinc/82/90/94/441829094.db2.gz YWDNNEUYKDWQCH-CQSZACIVSA-N 1 1 349.435 1.278 20 5 EDBDMO CCc1nn(C)c(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000094132326 441906732 /nfs/dbraw/zinc/90/67/32/441906732.db2.gz LDTGAYMKDVVLGV-GFCCVEGCSA-N 1 1 325.413 1.659 20 5 EDBDMO CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000093314331 441876499 /nfs/dbraw/zinc/87/64/99/441876499.db2.gz QYHCVYCGFQJGBM-NSHDSACASA-N 1 1 325.365 1.899 20 5 EDBDMO CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000093314331 441876505 /nfs/dbraw/zinc/87/65/05/441876505.db2.gz QYHCVYCGFQJGBM-NSHDSACASA-N 1 1 325.365 1.899 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000174019924 441879167 /nfs/dbraw/zinc/87/91/67/441879167.db2.gz ZKYSYOCVCZMCFB-GFCCVEGCSA-N 1 1 327.406 1.557 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000118132428 441891001 /nfs/dbraw/zinc/89/10/01/441891001.db2.gz PQIVQKJPISXPHY-UHFFFAOYSA-N 1 1 348.403 1.832 20 5 EDBDMO Cc1cc[nH+]c(N2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000162422534 442091774 /nfs/dbraw/zinc/09/17/74/442091774.db2.gz PMYXXZGCKCFVHK-UHFFFAOYSA-N 1 1 344.375 1.234 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000162113822 442064870 /nfs/dbraw/zinc/06/48/70/442064870.db2.gz RHPYBWDOAKVVBT-CQSZACIVSA-N 1 1 327.406 1.499 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000162942389 442132427 /nfs/dbraw/zinc/13/24/27/442132427.db2.gz MVZSZAPRLAIISX-IAQYHMDHSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000162942389 442132428 /nfs/dbraw/zinc/13/24/28/442132428.db2.gz MVZSZAPRLAIISX-IAQYHMDHSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000164183476 442192830 /nfs/dbraw/zinc/19/28/30/442192830.db2.gz NCLSZBPXHROCQD-LLVKDONJSA-N 1 1 344.375 1.668 20 5 EDBDMO C[C@@H]1C[NH+](C[C@H](O)COc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000153913888 442310701 /nfs/dbraw/zinc/31/07/01/442310701.db2.gz MZBGNCQQWJCOIE-WZRBSPASSA-N 1 1 328.340 1.583 20 5 EDBDMO CCC[N@H+]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000155062152 442373497 /nfs/dbraw/zinc/37/34/97/442373497.db2.gz QMDYYBLITUESTD-UHFFFAOYSA-N 1 1 348.403 1.786 20 5 EDBDMO COC(=O)c1cc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000155104752 442376044 /nfs/dbraw/zinc/37/60/44/442376044.db2.gz MYMNASBVMOLPSF-QWRGUYRKSA-N 1 1 335.360 1.546 20 5 EDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000171955138 442392935 /nfs/dbraw/zinc/39/29/35/442392935.db2.gz LRYNEWNHVJBARJ-LBPRGKRZSA-N 1 1 339.417 1.841 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000172823948 442549450 /nfs/dbraw/zinc/54/94/50/442549450.db2.gz DESPCQGHQWUNNN-AWEZNQCLSA-N 1 1 338.456 1.804 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000157122656 442551075 /nfs/dbraw/zinc/55/10/75/442551075.db2.gz ZVUAFQPHJMUIOX-NWDGAFQWSA-N 1 1 339.367 1.190 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000157122656 442551078 /nfs/dbraw/zinc/55/10/78/442551078.db2.gz ZVUAFQPHJMUIOX-NWDGAFQWSA-N 1 1 339.367 1.190 20 5 EDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000186612071 442572779 /nfs/dbraw/zinc/57/27/79/442572779.db2.gz SYXJFICYPIDRJO-CYBMUJFWSA-N 1 1 345.359 1.732 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000172982626 442577674 /nfs/dbraw/zinc/57/76/74/442577674.db2.gz APTYQUAXNJIOEZ-AWEZNQCLSA-N 1 1 335.404 1.990 20 5 EDBDMO C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000157627789 442599723 /nfs/dbraw/zinc/59/97/23/442599723.db2.gz IZUQPTIDKOMOGJ-FZMZJTMJSA-N 1 1 339.417 1.522 20 5 EDBDMO C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157627789 442599725 /nfs/dbraw/zinc/59/97/25/442599725.db2.gz IZUQPTIDKOMOGJ-FZMZJTMJSA-N 1 1 339.417 1.522 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000179397395 442640608 /nfs/dbraw/zinc/64/06/08/442640608.db2.gz CAFGVWNWGWUQDD-CYBMUJFWSA-N 1 1 337.376 1.132 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000186811773 442616063 /nfs/dbraw/zinc/61/60/63/442616063.db2.gz VLLXGXYAIOHWMO-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)c1C ZINC000192917073 442697619 /nfs/dbraw/zinc/69/76/19/442697619.db2.gz OMQMHDWDOUUHKW-BETUJISGSA-N 1 1 339.417 1.394 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000192589738 442666572 /nfs/dbraw/zinc/66/65/72/442666572.db2.gz PXSJZSWHWYVPCL-CQSZACIVSA-N 1 1 337.424 1.668 20 5 EDBDMO COC(=O)c1cc(NCC[N@H+]2CCCOCC2)cc(C)c1[N+](=O)[O-] ZINC000188499192 442756765 /nfs/dbraw/zinc/75/67/65/442756765.db2.gz OYGSVLMXJNIDPN-UHFFFAOYSA-N 1 1 337.376 1.824 20 5 EDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000182222104 442746985 /nfs/dbraw/zinc/74/69/85/442746985.db2.gz HPYRAWOGRYGHME-WFASDCNBSA-N 1 1 326.393 1.673 20 5 EDBDMO CCOC(=O)c1cc(NCC[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000188501794 442757401 /nfs/dbraw/zinc/75/74/01/442757401.db2.gz WJVXSZVZSHDXNF-UHFFFAOYSA-N 1 1 337.376 1.906 20 5 EDBDMO COCC[N@H+]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000267986398 442808130 /nfs/dbraw/zinc/80/81/30/442808130.db2.gz YFNOULJCSGTAES-UHFFFAOYSA-N 1 1 335.404 1.708 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193717904 442773125 /nfs/dbraw/zinc/77/31/25/442773125.db2.gz XQTQZYWWYJQEJD-KRWDZBQOSA-N 1 1 349.387 1.723 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@@]12CCOC2 ZINC000193717904 442773127 /nfs/dbraw/zinc/77/31/27/442773127.db2.gz XQTQZYWWYJQEJD-KRWDZBQOSA-N 1 1 349.387 1.723 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000193946488 442817181 /nfs/dbraw/zinc/81/71/81/442817181.db2.gz KVIZXNDEGCRBCI-LBPRGKRZSA-N 1 1 348.403 1.887 20 5 EDBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000268127476 442859886 /nfs/dbraw/zinc/85/98/86/442859886.db2.gz HLKKWMDPNHEVHX-QMTHXVAHSA-N 1 1 339.417 1.893 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000268127476 442859894 /nfs/dbraw/zinc/85/98/94/442859894.db2.gz HLKKWMDPNHEVHX-QMTHXVAHSA-N 1 1 339.417 1.893 20 5 EDBDMO C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C[NH+]1CCOCC1 ZINC000265676954 442875845 /nfs/dbraw/zinc/87/58/45/442875845.db2.gz CTCDKTIKNPWBDO-LBPRGKRZSA-N 1 1 346.387 1.774 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000268186556 442889426 /nfs/dbraw/zinc/88/94/26/442889426.db2.gz MFPVNLHOHRJTOF-LKFCYVNXSA-N 1 1 329.360 1.684 20 5 EDBDMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000268117234 442854994 /nfs/dbraw/zinc/85/49/94/442854994.db2.gz AEGPJQQCEUPGLU-CMPLNLGQSA-N 1 1 325.390 1.356 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000268117234 442854997 /nfs/dbraw/zinc/85/49/97/442854997.db2.gz AEGPJQQCEUPGLU-CMPLNLGQSA-N 1 1 325.390 1.356 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189462513 442960157 /nfs/dbraw/zinc/96/01/57/442960157.db2.gz FRWXWLITXBKNGJ-BBRMVZONSA-N 1 1 337.420 1.405 20 5 EDBDMO COC(=O)[C@@]1(C)CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000268377976 442967087 /nfs/dbraw/zinc/96/70/87/442967087.db2.gz UHMTZFAKPLSZGR-INIZCTEOSA-N 1 1 338.360 1.867 20 5 EDBDMO CC[C@]1(CO)CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000189673677 442992580 /nfs/dbraw/zinc/99/25/80/442992580.db2.gz VNLJLMOWTAHNIJ-QGZVFWFLSA-N 1 1 333.388 1.721 20 5 EDBDMO NC(=O)c1cc([C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000266123621 443025330 /nfs/dbraw/zinc/02/53/30/443025330.db2.gz CHJASBLPDRFJMN-ZDUSSCGKSA-N 1 1 343.387 1.839 20 5 EDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184494893 443028948 /nfs/dbraw/zinc/02/89/48/443028948.db2.gz LMWNVZBWHCBPAH-ZDUSSCGKSA-N 1 1 341.433 1.698 20 5 EDBDMO COC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000184508802 443031900 /nfs/dbraw/zinc/03/19/00/443031900.db2.gz QLHJHDQGBAICTC-UKRRQHHQSA-N 1 1 336.344 1.905 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184619000 443050324 /nfs/dbraw/zinc/05/03/24/443050324.db2.gz AYDAWYUFZAFPJE-AWEZNQCLSA-N 1 1 341.433 1.841 20 5 EDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184618041 443050348 /nfs/dbraw/zinc/05/03/48/443050348.db2.gz AAKRREFVYOAWKA-UHFFFAOYSA-N 1 1 329.422 1.746 20 5 EDBDMO C[C@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000254999472 443081003 /nfs/dbraw/zinc/08/10/03/443081003.db2.gz NXNUJJUBUIFMRM-ZPIQOJFGSA-N 1 1 346.431 1.608 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000185348822 443187540 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ZINC000330589700 445050215 /nfs/dbraw/zinc/05/02/15/445050215.db2.gz NOGSSERPNKZBDS-STQMWFEESA-N 1 1 348.403 1.266 20 5 EDBDMO COc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000330594016 445052166 /nfs/dbraw/zinc/05/21/66/445052166.db2.gz AQWUKPGGGGWHDV-QWRGUYRKSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000330594016 445052170 /nfs/dbraw/zinc/05/21/70/445052170.db2.gz AQWUKPGGGGWHDV-QWRGUYRKSA-N 1 1 337.376 1.777 20 5 EDBDMO COCCN1C(=O)N[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000344614823 445087316 /nfs/dbraw/zinc/08/73/16/445087316.db2.gz GMYVVMBKIWICQO-HUUCEWRRSA-N 1 1 334.376 1.209 20 5 EDBDMO COCCN1C(=O)N[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000344614823 445087319 /nfs/dbraw/zinc/08/73/19/445087319.db2.gz GMYVVMBKIWICQO-HUUCEWRRSA-N 1 1 334.376 1.209 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000339261908 445122222 /nfs/dbraw/zinc/12/22/22/445122222.db2.gz FGNATHPJHKIOES-UHFFFAOYSA-N 1 1 348.403 1.139 20 5 EDBDMO Cc1sc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000343528588 445239151 /nfs/dbraw/zinc/23/91/51/445239151.db2.gz ALUGBYLIMDEBFQ-QWRGUYRKSA-N 1 1 345.446 1.870 20 5 EDBDMO CN(C(=O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000362410063 445366588 /nfs/dbraw/zinc/36/65/88/445366588.db2.gz LAANTLVGHGJYOH-KRWDZBQOSA-N 1 1 346.387 1.160 20 5 EDBDMO CN(C(=O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000362410063 445366595 /nfs/dbraw/zinc/36/65/95/445366595.db2.gz LAANTLVGHGJYOH-KRWDZBQOSA-N 1 1 346.387 1.160 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2ccnc2C1 ZINC000357040970 445390837 /nfs/dbraw/zinc/39/08/37/445390837.db2.gz NYRYVAUKKIARLP-UHFFFAOYSA-N 1 1 329.360 1.944 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCn2ccnc2C1 ZINC000357040970 445390840 /nfs/dbraw/zinc/39/08/40/445390840.db2.gz NYRYVAUKKIARLP-UHFFFAOYSA-N 1 1 329.360 1.944 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCO)CC2CCCCC2)c1 ZINC000362596523 445456038 /nfs/dbraw/zinc/45/60/38/445456038.db2.gz OASZSGRSKCUFJX-OAHLLOKOSA-N 1 1 326.397 1.027 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000355928414 445534353 /nfs/dbraw/zinc/53/43/53/445534353.db2.gz FSTIBQYCEYCIEI-NSHDSACASA-N 1 1 331.380 1.246 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000355928414 445534356 /nfs/dbraw/zinc/53/43/56/445534356.db2.gz FSTIBQYCEYCIEI-NSHDSACASA-N 1 1 331.380 1.246 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000362812077 445560536 /nfs/dbraw/zinc/56/05/36/445560536.db2.gz AEKVNSXQNYOAQX-HOTGVXAUSA-N 1 1 333.388 1.507 20 5 EDBDMO O=C1[C@@H]([N@@H+]2CCC[C@@H](OCCO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360284799 445676082 /nfs/dbraw/zinc/67/60/82/445676082.db2.gz HHXZQBVHOJNQCD-CVEARBPZSA-N 1 1 349.387 1.173 20 5 EDBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](OCCO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360284799 445676086 /nfs/dbraw/zinc/67/60/86/445676086.db2.gz HHXZQBVHOJNQCD-CVEARBPZSA-N 1 1 349.387 1.173 20 5 EDBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363325929 445767167 /nfs/dbraw/zinc/76/71/67/445767167.db2.gz MTWCKUFZVKCPNS-KGLIPLIRSA-N 1 1 349.387 1.343 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000361564779 445821791 /nfs/dbraw/zinc/82/17/91/445821791.db2.gz KLZOPBGILDCVRA-IUODEOHRSA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000361564779 445821794 /nfs/dbraw/zinc/82/17/94/445821794.db2.gz KLZOPBGILDCVRA-IUODEOHRSA-N 1 1 337.376 1.313 20 5 EDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000361573363 445826281 /nfs/dbraw/zinc/82/62/81/445826281.db2.gz ZXGKRSBMMDKAOH-OAHLLOKOSA-N 1 1 331.332 1.342 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000363540767 445850271 /nfs/dbraw/zinc/85/02/71/445850271.db2.gz AYTQWLIBJODGCN-AGIUHOORSA-N 1 1 337.376 1.807 20 5 EDBDMO COc1cc(OCC(=O)N2CC[N@@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000354006966 445851733 /nfs/dbraw/zinc/85/17/33/445851733.db2.gz ODRHUMJMLDXREY-GFCCVEGCSA-N 1 1 337.376 1.535 20 5 EDBDMO C[C@H]1CC[S@@](=O)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000369214485 445998028 /nfs/dbraw/zinc/99/80/28/445998028.db2.gz LDSYBJXTUUSBBG-DAOPMYJZSA-N 1 1 339.417 1.766 20 5 EDBDMO C[C@H]1CC[S@@](=O)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000369214485 445998033 /nfs/dbraw/zinc/99/80/33/445998033.db2.gz LDSYBJXTUUSBBG-DAOPMYJZSA-N 1 1 339.417 1.766 20 5 EDBDMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000369275056 446040360 /nfs/dbraw/zinc/04/03/60/446040360.db2.gz VACNYKHRQFBNDR-CQSZACIVSA-N 1 1 346.431 1.802 20 5 EDBDMO Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000369275056 446040367 /nfs/dbraw/zinc/04/03/67/446040367.db2.gz VACNYKHRQFBNDR-CQSZACIVSA-N 1 1 346.431 1.802 20 5 EDBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000583459604 326077508 /nfs/dbraw/zinc/07/75/08/326077508.db2.gz RWHMZBUGXIQHRZ-AWEZNQCLSA-N 1 1 337.424 1.823 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CCN(C3CCC3)CC2)c1 ZINC000583867320 326154833 /nfs/dbraw/zinc/15/48/33/326154833.db2.gz AEUHINVWGKFRDR-KRWDZBQOSA-N 1 1 349.431 1.941 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)CNC2CC[NH+](C3CCC3)CC2)c1 ZINC000583867320 326154835 /nfs/dbraw/zinc/15/48/35/326154835.db2.gz AEUHINVWGKFRDR-KRWDZBQOSA-N 1 1 349.431 1.941 20 5 EDBDMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000584057976 326192469 /nfs/dbraw/zinc/19/24/69/326192469.db2.gz CUXPCJMJKNADIV-UHFFFAOYSA-N 1 1 345.403 1.922 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000356853105 446072831 /nfs/dbraw/zinc/07/28/31/446072831.db2.gz NTZMODFHRFJTLK-YNEHKIRRSA-N 1 1 348.403 1.264 20 5 EDBDMO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000362024333 446161286 /nfs/dbraw/zinc/16/12/86/446161286.db2.gz JPDXSJHUTDWZSW-UONOGXRCSA-N 1 1 348.359 1.928 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000354397463 446175728 /nfs/dbraw/zinc/17/57/28/446175728.db2.gz OFFKQSVPKZDOKS-QWHCGFSZSA-N 1 1 336.392 1.088 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365550763 446251269 /nfs/dbraw/zinc/25/12/69/446251269.db2.gz KLZIAHPAHHMKHI-APHBMKBZSA-N 1 1 330.388 1.855 20 5 EDBDMO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000370600177 446351502 /nfs/dbraw/zinc/35/15/02/446351502.db2.gz UNQANKDDILPBGC-HNNXBMFYSA-N 1 1 347.419 1.232 20 5 EDBDMO NC(=O)C1([NH+]2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)CCCC1 ZINC000376193660 446374531 /nfs/dbraw/zinc/37/45/31/446374531.db2.gz DOPCGXHFFCJXOW-UHFFFAOYSA-N 1 1 333.392 1.097 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 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LWAVVDTZNMHSBN-OAHLLOKOSA-N 1 1 348.384 1.325 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCn2ccnc2C1 ZINC000368077899 446625567 /nfs/dbraw/zinc/62/55/67/446625567.db2.gz ZNNQXEPPFPPYSX-ZDUSSCGKSA-N 1 1 331.376 1.147 20 5 EDBDMO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000375179410 446626371 /nfs/dbraw/zinc/62/63/71/446626371.db2.gz XANCDRRDEAJFEB-CYBMUJFWSA-N 1 1 335.364 1.687 20 5 EDBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc1 ZINC000411833835 446690223 /nfs/dbraw/zinc/69/02/23/446690223.db2.gz KZCQNRSVNOFIDV-UHFFFAOYSA-N 1 1 339.417 1.595 20 5 EDBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000368188019 446695422 /nfs/dbraw/zinc/69/54/22/446695422.db2.gz KCHQCWIJKIPCLF-DZGCQCFKSA-N 1 1 333.388 1.419 20 5 EDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC1CCC([NH+]2CCNCC2)CC1 ZINC000423943993 446791394 /nfs/dbraw/zinc/79/13/94/446791394.db2.gz DQJZGAKEORGGCR-UHFFFAOYSA-N 1 1 346.431 1.470 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420768228 446805973 /nfs/dbraw/zinc/80/59/73/446805973.db2.gz OAVPNLDGDFQECC-GFCCVEGCSA-N 1 1 343.405 1.318 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](O)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000412044958 446809309 /nfs/dbraw/zinc/80/93/09/446809309.db2.gz XONLNOVQDGWEEL-SDDRHHMPSA-N 1 1 337.376 1.633 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000412044958 446809317 /nfs/dbraw/zinc/80/93/17/446809317.db2.gz XONLNOVQDGWEEL-SDDRHHMPSA-N 1 1 337.376 1.633 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C(N)=O)[C@@H](C(F)(F)F)C1 ZINC000420964260 446933988 /nfs/dbraw/zinc/93/39/88/446933988.db2.gz PHFSHXAHRVOVLM-QWRGUYRKSA-N 1 1 347.293 1.699 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C(N)=O)[C@@H](C(F)(F)F)C1 ZINC000420964260 446933994 /nfs/dbraw/zinc/93/39/94/446933994.db2.gz PHFSHXAHRVOVLM-QWRGUYRKSA-N 1 1 347.293 1.699 20 5 EDBDMO CC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000420987280 446965082 /nfs/dbraw/zinc/96/50/82/446965082.db2.gz NUNQHJMDLSKIKY-CYBMUJFWSA-N 1 1 334.376 1.442 20 5 EDBDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000377238687 447014573 /nfs/dbraw/zinc/01/45/73/447014573.db2.gz AIKOVUXBHFIULI-INIZCTEOSA-N 1 1 335.404 1.705 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)C1 ZINC000375758533 447026618 /nfs/dbraw/zinc/02/66/18/447026618.db2.gz OVZUPRDIHPMROB-ZDUSSCGKSA-N 1 1 348.403 1.152 20 5 EDBDMO NC(=O)CCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444683374 447120799 /nfs/dbraw/zinc/12/07/99/447120799.db2.gz GJIBKHJGXJETJB-UHFFFAOYSA-N 1 1 331.376 1.949 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375831070 447088101 /nfs/dbraw/zinc/08/81/01/447088101.db2.gz MIDAXZPHKRTLJH-GDBMZVCRSA-N 1 1 332.404 1.873 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](C(C)(C)COC)CC1 ZINC000425281991 447094787 /nfs/dbraw/zinc/09/47/87/447094787.db2.gz QKWZDZNSMPJGAJ-UHFFFAOYSA-N 1 1 325.413 1.667 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000375928317 447154458 /nfs/dbraw/zinc/15/44/58/447154458.db2.gz RVTYNPGQFOZEGI-PHIMTYICSA-N 1 1 341.770 1.950 20 5 EDBDMO Cn1cnc2c(c1=O)CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000377526279 447181893 /nfs/dbraw/zinc/18/18/93/447181893.db2.gz DYEWEKOZPZWXCU-UHFFFAOYSA-N 1 1 344.371 1.516 20 5 EDBDMO Cn1cnc2c(c1=O)CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000377526279 447181899 /nfs/dbraw/zinc/18/18/99/447181899.db2.gz DYEWEKOZPZWXCU-UHFFFAOYSA-N 1 1 344.371 1.516 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425497858 447192603 /nfs/dbraw/zinc/19/26/03/447192603.db2.gz DTQOEXARMGWYAG-WFASDCNBSA-N 1 1 344.375 1.850 20 5 EDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425497858 447192620 /nfs/dbraw/zinc/19/26/20/447192620.db2.gz DTQOEXARMGWYAG-WFASDCNBSA-N 1 1 344.375 1.850 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425500510 447194615 /nfs/dbraw/zinc/19/46/15/447194615.db2.gz MANYUOQQRVEONG-HUUCEWRRSA-N 1 1 347.375 1.263 20 5 EDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421783011 447249585 /nfs/dbraw/zinc/24/95/85/447249585.db2.gz FIJGFKVUCXAJHC-AWEZNQCLSA-N 1 1 335.404 1.740 20 5 EDBDMO CNc1nc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000456009955 447284248 /nfs/dbraw/zinc/28/42/48/447284248.db2.gz KDYKURYANOHVBZ-YPMHNXCESA-N 1 1 333.392 1.588 20 5 EDBDMO Cc1nc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ncc1[N+](=O)[O-] ZINC000450405147 447480036 /nfs/dbraw/zinc/48/00/36/447480036.db2.gz PLZHXKQGEMJDQF-YIONKMFJSA-N 1 1 346.435 1.440 20 5 EDBDMO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000450593400 447533120 /nfs/dbraw/zinc/53/31/20/447533120.db2.gz IIUYOJLGIAIQBP-HNNXBMFYSA-N 1 1 330.388 2.402 20 5 EDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000416299710 447562352 /nfs/dbraw/zinc/56/23/52/447562352.db2.gz SIZKDUYBIWQLPT-RYUDHWBXSA-N 1 1 346.387 1.603 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000416299710 447562354 /nfs/dbraw/zinc/56/23/54/447562354.db2.gz SIZKDUYBIWQLPT-RYUDHWBXSA-N 1 1 346.387 1.603 20 5 EDBDMO CCc1ccc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416318080 447570869 /nfs/dbraw/zinc/57/08/69/447570869.db2.gz XKTJDOFACKZEPP-STQMWFEESA-N 1 1 335.404 1.684 20 5 EDBDMO CCc1ccc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416318080 447570878 /nfs/dbraw/zinc/57/08/78/447570878.db2.gz XKTJDOFACKZEPP-STQMWFEESA-N 1 1 335.404 1.684 20 5 EDBDMO C[C@@H]1NC(=O)N(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1=O ZINC000459373817 447648688 /nfs/dbraw/zinc/64/86/88/447648688.db2.gz NLEBPZNFDQEBNJ-NSHDSACASA-N 1 1 332.360 1.500 20 5 EDBDMO C[C@H]([NH2+]CC(=O)NCC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000451107125 447686278 /nfs/dbraw/zinc/68/62/78/447686278.db2.gz XROAMAVVJDAYLP-NSHDSACASA-N 1 1 336.392 1.276 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@](O)(CO)C1 ZINC000459649791 447731873 /nfs/dbraw/zinc/73/18/73/447731873.db2.gz RUJWHSBKMGXGLS-MRXNPFEDSA-N 1 1 337.376 1.051 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCc4nn[nH]c4C3)o2)c1 ZINC000429321459 447739495 /nfs/dbraw/zinc/73/94/95/447739495.db2.gz YMXINEBPTHOHJG-UHFFFAOYSA-N 1 1 340.343 1.969 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCc4nn[nH]c4C3)o2)c1 ZINC000429321459 447739502 /nfs/dbraw/zinc/73/95/02/447739502.db2.gz YMXINEBPTHOHJG-UHFFFAOYSA-N 1 1 340.343 1.969 20 5 EDBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@H](O)[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000459707004 447746211 /nfs/dbraw/zinc/74/62/11/447746211.db2.gz NYMBKJINVBXFAD-BZNIZROVSA-N 1 1 348.355 1.648 20 5 EDBDMO O=C(CCCC[NH+]1CCOCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000530538190 447910096 /nfs/dbraw/zinc/91/00/96/447910096.db2.gz BDVHTFVSAJYPGB-UHFFFAOYSA-N 1 1 347.415 1.982 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000524648887 447937433 /nfs/dbraw/zinc/93/74/33/447937433.db2.gz MIOAYPPGEPRDEL-LLVKDONJSA-N 1 1 328.394 1.000 20 5 EDBDMO C[N@@H+](CCNS(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000525688393 448012294 /nfs/dbraw/zinc/01/22/94/448012294.db2.gz BMFCVRROKALWJL-UHFFFAOYSA-N 1 1 328.394 1.143 20 5 EDBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000564466242 448331000 /nfs/dbraw/zinc/33/10/00/448331000.db2.gz LSXQWIAXLBFRNL-CYBMUJFWSA-N 1 1 349.435 2.416 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2c(F)c(F)cc(F)c2F)c1 ZINC000591750257 448480731 /nfs/dbraw/zinc/48/07/31/448480731.db2.gz FRYHPDNSZVXUPP-QMMMGPOBSA-N 1 1 348.256 1.498 20 5 EDBDMO CC1(C)C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000584390786 448505415 /nfs/dbraw/zinc/50/54/15/448505415.db2.gz SCWIOOGDBHDEMX-AWEZNQCLSA-N 1 1 335.360 1.596 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000517455594 448582634 /nfs/dbraw/zinc/58/26/34/448582634.db2.gz UPLIYUOGSZHSIG-NSHDSACASA-N 1 1 335.360 1.438 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000588005141 448854931 /nfs/dbraw/zinc/85/49/31/448854931.db2.gz WEKYTVOBLKLNAN-AWEZNQCLSA-N 1 1 336.367 1.652 20 5 EDBDMO CC1(C)C[C@@H](NCC(=O)N2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000574440802 448875017 /nfs/dbraw/zinc/87/50/17/448875017.db2.gz ANENKLYFVWGXKU-OAHLLOKOSA-N 1 1 332.404 1.339 20 5 EDBDMO Cn1c2cc(NCC3=CC[N@@H+](C)CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588012613 448857057 /nfs/dbraw/zinc/85/70/57/448857057.db2.gz LHQGKVNTYBYFEU-UHFFFAOYSA-N 1 1 331.376 1.459 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863029 448941350 /nfs/dbraw/zinc/94/13/50/448941350.db2.gz OAQSTDAKCVJRGO-RYUDHWBXSA-N 1 1 339.779 1.529 20 5 EDBDMO CC(C)c1ccc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588861387 448941609 /nfs/dbraw/zinc/94/16/09/448941609.db2.gz SVILQDSEJDVXPP-LSDHHAIUSA-N 1 1 347.415 1.999 20 5 EDBDMO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589502230 449027376 /nfs/dbraw/zinc/02/73/76/449027376.db2.gz QIOSEGAYZSUZQX-CYBMUJFWSA-N 1 1 336.344 1.909 20 5 EDBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589502230 449027379 /nfs/dbraw/zinc/02/73/79/449027379.db2.gz QIOSEGAYZSUZQX-CYBMUJFWSA-N 1 1 336.344 1.909 20 5 EDBDMO CCn1cc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)C)cn1 ZINC000593082505 449126252 /nfs/dbraw/zinc/12/62/52/449126252.db2.gz WJGMUYZWIQMGHD-UHFFFAOYSA-N 1 1 333.392 1.884 20 5 EDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593585738 449091613 /nfs/dbraw/zinc/09/16/13/449091613.db2.gz ISXBRLXKARKVJN-GFCCVEGCSA-N 1 1 342.421 1.389 20 5 EDBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548741574 449093572 /nfs/dbraw/zinc/09/35/72/449093572.db2.gz PWXOPLILIRMURO-UHFFFAOYSA-N 1 1 335.408 1.909 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[C@@H]2C1 ZINC000590010537 449094713 /nfs/dbraw/zinc/09/47/13/449094713.db2.gz ODDXCBCXJMXGFA-GXTWGEPZSA-N 1 1 329.360 1.781 20 5 EDBDMO C[N@@H+]1C[C@H]2CCN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590012337 449097398 /nfs/dbraw/zinc/09/73/98/449097398.db2.gz RLQRSYQFKOXKFJ-IUODEOHRSA-N 1 1 339.417 1.004 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590012337 449097402 /nfs/dbraw/zinc/09/74/02/449097402.db2.gz RLQRSYQFKOXKFJ-IUODEOHRSA-N 1 1 339.417 1.004 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000593011348 449101713 /nfs/dbraw/zinc/10/17/13/449101713.db2.gz PGBRXAYWJVORPR-ZYHUDNBSSA-N 1 1 335.360 1.467 20 5 EDBDMO CO[C@@]1(CO)CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595660692 449102251 /nfs/dbraw/zinc/10/22/51/449102251.db2.gz UNJNMNBJIXMPPV-INIZCTEOSA-N 1 1 337.376 1.397 20 5 EDBDMO CC(C)C[N@@H+](C)CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000593616773 449110604 /nfs/dbraw/zinc/11/06/04/449110604.db2.gz PNDRXNOAJIOPEB-UHFFFAOYSA-N 1 1 330.410 1.246 20 5 EDBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595678110 449115403 /nfs/dbraw/zinc/11/54/03/449115403.db2.gz QPBLSPZUGHTOKU-QLFBSQMISA-N 1 1 338.404 1.817 20 5 EDBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595691518 449120749 /nfs/dbraw/zinc/12/07/49/449120749.db2.gz BXGOSMFXOODHFM-RBSFLKMASA-N 1 1 338.404 1.817 20 5 EDBDMO COc1ccc(C(=O)N2CC[NH+](CCCF)CC2)cc1[N+](=O)[O-] ZINC000600071412 449171141 /nfs/dbraw/zinc/17/11/41/449171141.db2.gz ARYZLSBZYHAZRJ-UHFFFAOYSA-N 1 1 325.340 1.721 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593181908 449161100 /nfs/dbraw/zinc/16/11/00/449161100.db2.gz NPHGZZHVFXQQSD-CYBMUJFWSA-N 1 1 334.376 1.494 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593181908 449161105 /nfs/dbraw/zinc/16/11/05/449161105.db2.gz NPHGZZHVFXQQSD-CYBMUJFWSA-N 1 1 334.376 1.494 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000590443332 449164887 /nfs/dbraw/zinc/16/48/87/449164887.db2.gz IFLQTXDFEMDOIC-ZFWWWQNUSA-N 1 1 333.388 1.835 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)[C@@H]2C1 ZINC000590446410 449167605 /nfs/dbraw/zinc/16/76/05/449167605.db2.gz VBSVAMOMWBBQDI-MLGOLLRUSA-N 1 1 341.371 1.557 20 5 EDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000604264397 449199164 /nfs/dbraw/zinc/19/91/64/449199164.db2.gz VOYNCUDHZBDNOB-ZDUSSCGKSA-N 1 1 339.417 1.983 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595868580 449219682 /nfs/dbraw/zinc/21/96/82/449219682.db2.gz QLHWCJJLSDNGDB-MRXNPFEDSA-N 1 1 335.404 1.634 20 5 EDBDMO 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C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000248448287 536419952 /nfs/dbraw/zinc/41/99/52/536419952.db2.gz HPYRAWOGRYGHME-IUODEOHRSA-N 1 1 326.393 1.673 20 5 EDBDMO COc1ccc(NC(=O)CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292181738 536769720 /nfs/dbraw/zinc/76/97/20/536769720.db2.gz QQDIKAGOZIXIKS-QGZVFWFLSA-N 1 1 348.403 1.570 20 5 EDBDMO COc1ccc(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000727675789 578537115 /nfs/dbraw/zinc/53/71/15/578537115.db2.gz SHMFERNJYFBPEL-ZIAGYGMSSA-N 1 1 349.387 1.125 20 5 EDBDMO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000761077209 580046931 /nfs/dbraw/zinc/04/69/31/580046931.db2.gz LESFKKIVUUEITN-JTQLQIEISA-N 1 1 326.784 1.823 20 5 EDBDMO CC1(C)C[N@H+](CCNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CCO1 ZINC000736215006 578965474 /nfs/dbraw/zinc/96/54/74/578965474.db2.gz ZKZXZTYQNJFWRV-UHFFFAOYSA-N 1 1 347.379 1.298 20 5 EDBDMO CC1(C)C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CCO1 ZINC000736215006 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WPVGZQMYEAUSKR-NSHDSACASA-N 1 1 346.395 1.338 20 5 EDBDMO CC(C)(CCC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)[N+](=O)[O-] ZINC000822836550 594109085 /nfs/dbraw/zinc/10/90/85/594109085.db2.gz HRMBHIMJMCEPRC-AWEZNQCLSA-N 1 1 327.425 1.535 20 5 EDBDMO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000830085929 594334224 /nfs/dbraw/zinc/33/42/24/594334224.db2.gz RMUBONGJPJGDGN-ZYHUDNBSSA-N 1 1 329.740 1.190 20 5 EDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000826673372 594551692 /nfs/dbraw/zinc/55/16/92/594551692.db2.gz JBPZXXAJZUSNBR-AWEZNQCLSA-N 1 1 335.408 1.705 20 5 EDBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000826673459 594551697 /nfs/dbraw/zinc/55/16/97/594551697.db2.gz JTJXAJKRPUIDED-GJZGRUSLSA-N 1 1 337.351 1.405 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000827329409 594661459 /nfs/dbraw/zinc/66/14/59/594661459.db2.gz GLWLETLGJMFDIH-BXUZGUMPSA-N 1 1 337.351 1.665 20 5 EDBDMO C[N@H+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000848033074 595307859 /nfs/dbraw/zinc/30/78/59/595307859.db2.gz JRKHDANYRNESHE-UHFFFAOYSA-N 1 1 331.376 1.497 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(CN3CC[C@@H](c4ccc([N+](=O)[O-])cc4)C3=O)C[C@@H]21 ZINC000848488014 595393667 /nfs/dbraw/zinc/39/36/67/595393667.db2.gz DBWUWSFTPKBVKF-PVAVHDDUSA-N 1 1 344.415 1.504 20 5 EDBDMO C[C@@H]1CN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H](C)[N@@H+]1C ZINC000848488719 595393917 /nfs/dbraw/zinc/39/39/17/595393917.db2.gz HXRPHBASIQUGGX-VBQJREDUSA-N 1 1 346.431 1.893 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)cc1F ZINC000867374683 595410324 /nfs/dbraw/zinc/41/03/24/595410324.db2.gz KLUDOOYHZGJOSQ-SNVBAGLBSA-N 1 1 331.369 1.272 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000854955038 595542768 /nfs/dbraw/zinc/54/27/68/595542768.db2.gz OLUCSRJRDXYTNW-WDEREUQCSA-N 1 1 341.795 1.775 20 5 EDBDMO 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WOOPLQGJMPNDJA-MZMPZRCHSA-N 1 1 346.431 1.711 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206758 596827113 /nfs/dbraw/zinc/82/71/13/596827113.db2.gz FVQOJFKVPVGMJM-DGCLKSJQSA-N 1 1 334.376 1.615 20 5 EDBDMO C[N@@H+]1CC[C@H]2CN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866208501 596827658 /nfs/dbraw/zinc/82/76/58/596827658.db2.gz MRDFJYBWVHIRBS-UWVGGRQHSA-N 1 1 345.446 1.590 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866208501 596827660 /nfs/dbraw/zinc/82/76/60/596827660.db2.gz MRDFJYBWVHIRBS-UWVGGRQHSA-N 1 1 345.446 1.590 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)CC[C@@H]21 ZINC000872724798 597046866 /nfs/dbraw/zinc/04/68/66/597046866.db2.gz XQFKQYPINZLJFL-RYUDHWBXSA-N 1 1 332.360 1.486 20 5 EDBDMO COC(=O)CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCOCC1 ZINC000878152532 597582342 /nfs/dbraw/zinc/58/23/42/597582342.db2.gz IZKJKTWEJFRDKU-UHFFFAOYSA-N 1 1 340.380 1.144 20 5 EDBDMO COCC[N@@H+]1[C@H](C)CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000878760584 597702746 /nfs/dbraw/zinc/70/27/46/597702746.db2.gz BQNORXIWSOJJPK-BETUJISGSA-N 1 1 325.413 1.141 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000878779384 597708357 /nfs/dbraw/zinc/70/83/57/597708357.db2.gz AMZWVICZMDMSIU-LBPRGKRZSA-N 1 1 349.387 1.828 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1(C)C ZINC000879859842 597741121 /nfs/dbraw/zinc/74/11/21/597741121.db2.gz WIPGQSXNRPKKCL-UHFFFAOYSA-N 1 1 349.387 1.922 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1(C)C ZINC000879859842 597741123 /nfs/dbraw/zinc/74/11/23/597741123.db2.gz WIPGQSXNRPKKCL-UHFFFAOYSA-N 1 1 349.387 1.922 20 5 EDBDMO CN(C(=O)CN1CC[C@@H]2[C@@H]1CCC[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000880132776 597851088 /nfs/dbraw/zinc/85/10/88/597851088.db2.gz FXMQVFNHBYRGJK-CVEARBPZSA-N 1 1 332.404 1.726 20 5 EDBDMO CO[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 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/nfs/dbraw/zinc/12/48/99/598124899.db2.gz NQJAGUGGSHPZFP-CMPLNLGQSA-N 1 1 341.339 1.144 20 5 EDBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@H](Cn4ccnn4)C3)c2c1 ZINC000154987865 697286373 /nfs/dbraw/zinc/28/63/73/697286373.db2.gz LAYFDVAAQAZETH-ZDUSSCGKSA-N 1 1 341.375 1.906 20 5 EDBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000920906505 697494470 /nfs/dbraw/zinc/49/44/70/697494470.db2.gz YIGHXWWVKAUVDC-ZDUSSCGKSA-N 1 1 349.387 1.613 20 5 EDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000921543704 703415332 /nfs/dbraw/zinc/41/53/32/703415332.db2.gz WTXZHIFIEUXYCO-CYBMUJFWSA-N 1 1 338.412 1.163 20 5 EDBDMO C[C@@H](NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000921552908 703492958 /nfs/dbraw/zinc/49/29/58/703492958.db2.gz GKOHXHISTOFRCO-TYNCELHUSA-N 1 1 336.392 1.674 20 5 EDBDMO C[C@@H](NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000921552908 703492960 /nfs/dbraw/zinc/49/29/60/703492960.db2.gz GKOHXHISTOFRCO-TYNCELHUSA-N 1 1 336.392 1.674 20 5 EDBDMO O=C(NC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002788083 709394248 /nfs/dbraw/zinc/39/42/48/709394248.db2.gz NCMHZOMWLJIFSP-NVXWUHKLSA-N 1 1 342.399 1.914 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034644876 710321013 /nfs/dbraw/zinc/32/10/13/710321013.db2.gz MJFSMNFRSGDBKD-KBUPBQIOSA-N 1 1 325.409 1.095 20 5 EDBDMO COc1cc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cc([N+](=O)[O-])c1C ZINC000560417970 306268027 /nfs/dbraw/zinc/26/80/27/306268027.db2.gz LFZYDPYGXDLMGZ-UHFFFAOYSA-N 1 1 345.359 1.597 20 5 EDBDMO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CC[N@@H+]1CCCOCC1 ZINC000413005025 304049295 /nfs/dbraw/zinc/04/92/95/304049295.db2.gz YCJAXNBETPCMCU-UHFFFAOYSA-N 1 1 334.332 1.134 20 5 EDBDMO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CC[N@H+]1CCCOCC1 ZINC000413005025 304049296 /nfs/dbraw/zinc/04/92/96/304049296.db2.gz YCJAXNBETPCMCU-UHFFFAOYSA-N 1 1 334.332 1.134 20 5 EDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1ccccn1 ZINC000007093236 138094849 /nfs/dbraw/zinc/09/48/49/138094849.db2.gz FWHQWRBSYHRFIA-UHFFFAOYSA-N 1 1 336.373 1.058 20 5 EDBDMO C[N@@H+](CCc1ccccn1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000124988263 138331277 /nfs/dbraw/zinc/33/12/77/138331277.db2.gz DHBCAZUSXSPNHF-INIZCTEOSA-N 1 1 331.372 1.904 20 5 EDBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC[N@H+](C)C1 ZINC000413492796 304063147 /nfs/dbraw/zinc/06/31/47/304063147.db2.gz DGXDQSOFPPMBBX-GFCCVEGCSA-N 1 1 335.360 1.338 20 5 EDBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC[N@@H+](C)C1 ZINC000413492796 304063149 /nfs/dbraw/zinc/06/31/49/304063149.db2.gz DGXDQSOFPPMBBX-GFCCVEGCSA-N 1 1 335.360 1.338 20 5 EDBDMO Cc1sc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000186907364 236060492 /nfs/dbraw/zinc/06/04/92/236060492.db2.gz NNLZXMWFEPPRSQ-JTQLQIEISA-N 1 1 341.433 1.882 20 5 EDBDMO Cc1sc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000186907364 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CRZTVWOZXRLARH-GHMZBOCLSA-N 1 1 333.344 1.994 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000155535426 206015512 /nfs/dbraw/zinc/01/55/12/206015512.db2.gz ISDHQDDHFNNHEP-RYUDHWBXSA-N 1 1 349.387 1.936 20 5 EDBDMO CC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000156485199 206081776 /nfs/dbraw/zinc/08/17/76/206081776.db2.gz MSKXUZICIUHBHO-CQSZACIVSA-N 1 1 334.376 1.442 20 5 EDBDMO CC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000156485199 206081784 /nfs/dbraw/zinc/08/17/84/206081784.db2.gz MSKXUZICIUHBHO-CQSZACIVSA-N 1 1 334.376 1.442 20 5 EDBDMO COc1cccc([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000158954806 206217370 /nfs/dbraw/zinc/21/73/70/206217370.db2.gz BCWYNPQXJWDWMR-LBPRGKRZSA-N 1 1 333.348 1.359 20 5 EDBDMO COC(=O)[C@]1(C)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246361045 139105427 /nfs/dbraw/zinc/10/54/27/139105427.db2.gz GDUWRSGTWKWPJZ-WMLDXEAASA-N 1 1 347.371 1.585 20 5 EDBDMO 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O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000247640793 139153211 /nfs/dbraw/zinc/15/32/11/139153211.db2.gz SWBMGUCZGDXLDJ-WMLDXEAASA-N 1 1 348.378 1.856 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249244859 139189546 /nfs/dbraw/zinc/18/95/46/139189546.db2.gz XCFJUDJRFQXZFP-STQMWFEESA-N 1 1 348.403 1.783 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261903761 139235613 /nfs/dbraw/zinc/23/56/13/139235613.db2.gz GTFPEVOSQZYWNQ-AWEZNQCLSA-N 1 1 333.323 1.104 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416996063 251122909 /nfs/dbraw/zinc/12/29/09/251122909.db2.gz MGAMLLDTAHPNPL-STQMWFEESA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416996063 251122913 /nfs/dbraw/zinc/12/29/13/251122913.db2.gz MGAMLLDTAHPNPL-STQMWFEESA-N 1 1 336.392 1.822 20 5 EDBDMO CCCC[N@@H+](C)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000112311427 220300038 /nfs/dbraw/zinc/30/00/38/220300038.db2.gz UVQOKQHFWAXRMW-UHFFFAOYSA-N 1 1 346.391 1.637 20 5 EDBDMO CC[N@H+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000487758821 255034561 /nfs/dbraw/zinc/03/45/61/255034561.db2.gz XZECCCZPSSMNCT-JTQLQIEISA-N 1 1 327.331 1.968 20 5 EDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000488748283 255052217 /nfs/dbraw/zinc/05/22/17/255052217.db2.gz GQRLPIRCVYTQGE-BXUZGUMPSA-N 1 1 347.375 1.536 20 5 EDBDMO CS(=O)(=O)c1cccc(N[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000489937385 255074854 /nfs/dbraw/zinc/07/48/54/255074854.db2.gz NGRYTZYFALNQKM-SNVBAGLBSA-N 1 1 336.373 1.622 20 5 EDBDMO C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@H]1C ZINC000490339883 255085148 /nfs/dbraw/zinc/08/51/48/255085148.db2.gz DAPHAFAFBILGSN-CHWSQXEVSA-N 1 1 338.412 1.353 20 5 EDBDMO C[C@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000493630554 255217288 /nfs/dbraw/zinc/21/72/88/255217288.db2.gz ZNBSATHEYJTNQT-PSKZRQQASA-N 1 1 332.404 1.360 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493272381 255200997 /nfs/dbraw/zinc/20/09/97/255200997.db2.gz NPZICWRRIWTOQK-GODNBWANSA-N 1 1 333.388 1.522 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264128970 139381904 /nfs/dbraw/zinc/38/19/04/139381904.db2.gz LZQBYVHBYOKLMX-LBPRGKRZSA-N 1 1 329.422 1.745 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000264146059 139382997 /nfs/dbraw/zinc/38/29/97/139382997.db2.gz PEZZETJWZAKCJZ-UHFFFAOYSA-N 1 1 327.406 1.620 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000264146059 139382998 /nfs/dbraw/zinc/38/29/98/139382998.db2.gz PEZZETJWZAKCJZ-UHFFFAOYSA-N 1 1 327.406 1.620 20 5 EDBDMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000155318913 224396932 /nfs/dbraw/zinc/39/69/32/224396932.db2.gz LILJLZNOQSCXLS-VXGBXAGGSA-N 1 1 344.375 1.340 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000270372877 140088316 /nfs/dbraw/zinc/08/83/16/140088316.db2.gz DJFREIYJGMXXQB-CYBMUJFWSA-N 1 1 346.387 1.605 20 5 EDBDMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271094921 140235817 /nfs/dbraw/zinc/23/58/17/140235817.db2.gz YFPQPIPRPPOSQC-CQSZACIVSA-N 1 1 341.433 1.807 20 5 EDBDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271094921 140235819 /nfs/dbraw/zinc/23/58/19/140235819.db2.gz YFPQPIPRPPOSQC-CQSZACIVSA-N 1 1 341.433 1.807 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CCC(N)=O)CC1 ZINC000271257613 140265449 /nfs/dbraw/zinc/26/54/49/140265449.db2.gz TWPUCWPAZGMFRD-GFCCVEGCSA-N 1 1 348.403 1.899 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2=CC[N@@H+](C)CC2)cc1OC ZINC000271880656 140366330 /nfs/dbraw/zinc/36/63/30/140366330.db2.gz NAMBVOIAEPPTEB-UHFFFAOYSA-N 1 1 349.387 1.994 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000332226823 141143441 /nfs/dbraw/zinc/14/34/41/141143441.db2.gz NGPBPFNIKKBWFR-RYUDHWBXSA-N 1 1 333.392 1.358 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCCO)CC1 ZINC000339827671 142169685 /nfs/dbraw/zinc/16/96/85/142169685.db2.gz KPOVRFJMRBFBKM-LBPRGKRZSA-N 1 1 337.376 1.395 20 5 EDBDMO COC(=O)C(C)(C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342733191 142750882 /nfs/dbraw/zinc/75/08/82/142750882.db2.gz OITJBVGLMLMEIJ-LLVKDONJSA-N 1 1 326.349 1.218 20 5 EDBDMO COC(=O)C(C)(C)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342733191 142750883 /nfs/dbraw/zinc/75/08/83/142750883.db2.gz OITJBVGLMLMEIJ-LLVKDONJSA-N 1 1 326.349 1.218 20 5 EDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346163019 143174002 /nfs/dbraw/zinc/17/40/02/143174002.db2.gz CTSXLCPGCUDCFO-GUTXKFCHSA-N 1 1 335.408 1.370 20 5 EDBDMO CCOCCC[N@H+]1CC[C@@H](NCc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000346553045 143215985 /nfs/dbraw/zinc/21/59/85/143215985.db2.gz FSLYMOOAKBTKNT-UONOGXRCSA-N 1 1 339.440 1.555 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[N@@H+](C)C1 ZINC000346708896 143235826 /nfs/dbraw/zinc/23/58/26/143235826.db2.gz SCINGKCUIHQIMI-QWHCGFSZSA-N 1 1 346.387 1.867 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2[C@@H](CO)CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000347301953 143305654 /nfs/dbraw/zinc/30/56/54/143305654.db2.gz FCJFUYOERMAMDP-BETUJISGSA-N 1 1 337.376 1.049 20 5 EDBDMO Cc1cccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000573083978 306611069 /nfs/dbraw/zinc/61/10/69/306611069.db2.gz JSNXIUBSRNHSOZ-UHFFFAOYSA-N 1 1 335.385 1.862 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000352697626 149120941 /nfs/dbraw/zinc/12/09/41/149120941.db2.gz LLXCNQHPRIKJDX-VZJVUDMVSA-N 1 1 337.376 1.776 20 5 EDBDMO Cc1cc(C2=CC[N@H+](CC(=O)NC3CC3)CC2)cc([N+](=O)[O-])c1N ZINC000369906048 155225561 /nfs/dbraw/zinc/22/55/61/155225561.db2.gz KSUIJLLAFCFKCX-UHFFFAOYSA-N 1 1 330.388 1.853 20 5 EDBDMO Cc1cc(C2=CC[N@@H+](CC(=O)NC3CC3)CC2)cc([N+](=O)[O-])c1N ZINC000369906048 155225564 /nfs/dbraw/zinc/22/55/64/155225564.db2.gz KSUIJLLAFCFKCX-UHFFFAOYSA-N 1 1 330.388 1.853 20 5 EDBDMO COc1cc(CN2CCN(c3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000352785347 149163865 /nfs/dbraw/zinc/16/38/65/149163865.db2.gz XUWDENQQLZSTQY-UHFFFAOYSA-N 1 1 331.376 1.659 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000353025746 149258004 /nfs/dbraw/zinc/25/80/04/149258004.db2.gz SDJCTKJUMDSUOA-WCQYABFASA-N 1 1 346.330 1.896 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000355390333 150249602 /nfs/dbraw/zinc/24/96/02/150249602.db2.gz UXBLCTDZFAFVDJ-HOTGVXAUSA-N 1 1 333.388 1.459 20 5 EDBDMO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])nn2C)cc(N2CCCC2)[nH+]1 ZINC000355510352 150298616 /nfs/dbraw/zinc/29/86/16/150298616.db2.gz IYPLWUASXUSBBS-UHFFFAOYSA-N 1 1 344.375 1.562 20 5 EDBDMO O=C([C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CCCCCC1 ZINC000369994155 155271151 /nfs/dbraw/zinc/27/11/51/155271151.db2.gz GMCWHIXIWRAEIC-HNNXBMFYSA-N 1 1 349.435 1.906 20 5 EDBDMO O=C([C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000370002940 155276569 /nfs/dbraw/zinc/27/65/69/155276569.db2.gz VCTIBBFOLZZYER-CQSZACIVSA-N 1 1 335.408 1.516 20 5 EDBDMO COC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000357407949 151022669 /nfs/dbraw/zinc/02/26/69/151022669.db2.gz FYKBVDWRPQMPMB-GWCFXTLKSA-N 1 1 335.360 1.594 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000357816248 151159934 /nfs/dbraw/zinc/15/99/34/151159934.db2.gz MPGZHKWVCZBFEV-GFCCVEGCSA-N 1 1 337.376 1.636 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000357816248 151159936 /nfs/dbraw/zinc/15/99/36/151159936.db2.gz MPGZHKWVCZBFEV-GFCCVEGCSA-N 1 1 337.376 1.636 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360654346 152139835 /nfs/dbraw/zinc/13/98/35/152139835.db2.gz ULLRHPDJEYRRBE-AAEUAGOBSA-N 1 1 341.433 1.918 20 5 EDBDMO O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CCc2[nH+]ccn2C1 ZINC000360833926 152223738 /nfs/dbraw/zinc/22/37/38/152223738.db2.gz YXUPIHPXPRWHDV-MRVPVSSYSA-N 1 1 338.165 1.798 20 5 EDBDMO COc1ccc(OCC[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000361587836 286346407 /nfs/dbraw/zinc/34/64/07/286346407.db2.gz XBRDODWIUQRPLV-GXTWGEPZSA-N 1 1 340.376 1.454 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363834910 153070414 /nfs/dbraw/zinc/07/04/14/153070414.db2.gz RRDDXURLYFKFSZ-DKTLHIEFSA-N 1 1 345.399 1.978 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363834913 153070429 /nfs/dbraw/zinc/07/04/29/153070429.db2.gz RRDDXURLYFKFSZ-FIRJTHROSA-N 1 1 345.399 1.978 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417191091 304382870 /nfs/dbraw/zinc/38/28/70/304382870.db2.gz ZHBYWVJSIGWCDM-OAHLLOKOSA-N 1 1 340.355 1.446 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000364639541 153291158 /nfs/dbraw/zinc/29/11/58/153291158.db2.gz CGELELZJJKXYSG-HZSPNIEDSA-N 1 1 335.429 1.884 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000272199966 292296015 /nfs/dbraw/zinc/29/60/15/292296015.db2.gz AJMIJMHJZLWNNB-STQMWFEESA-N 1 1 341.433 1.965 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000367583822 154188006 /nfs/dbraw/zinc/18/80/06/154188006.db2.gz SWROOBLBNFNQKL-GXFFZTMASA-N 1 1 343.380 1.449 20 5 EDBDMO CC(C)[C@@]1(CO)CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000368075067 154398128 /nfs/dbraw/zinc/39/81/28/154398128.db2.gz PTJJYNOSMDSWIG-KRWDZBQOSA-N 1 1 335.404 1.898 20 5 EDBDMO COC(=O)[C@]12CCC[C@@H]1C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000371710137 156072159 /nfs/dbraw/zinc/07/21/59/156072159.db2.gz XNUUDPGKFCHIIT-WBMJQRKESA-N 1 1 335.360 1.032 20 5 EDBDMO Cc1cccc(N2CCC(NC(=O)c3nn(C)cc3[N+](=O)[O-])CC2)[nH+]1 ZINC000372324972 156333269 /nfs/dbraw/zinc/33/32/69/156333269.db2.gz IBBBXPADZQOHTJ-UHFFFAOYSA-N 1 1 344.375 1.431 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@](O)(C4CC4)C3)o2)cc1 ZINC000373911905 157062200 /nfs/dbraw/zinc/06/22/00/157062200.db2.gz STDKEPGQXJYJET-MRXNPFEDSA-N 1 1 330.344 1.992 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1c1ccccc1 ZINC000374172927 157177033 /nfs/dbraw/zinc/17/70/33/157177033.db2.gz OHMWCGAUXJWSCM-UONOGXRCSA-N 1 1 344.371 1.717 20 5 EDBDMO O=c1[nH]c(N2CCC[N@H+]3CCC[C@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000376231569 157751254 /nfs/dbraw/zinc/75/12/54/157751254.db2.gz RYFBHOPFACHXSA-LBPRGKRZSA-N 1 1 329.360 1.918 20 5 EDBDMO CCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000273381488 268038211 /nfs/dbraw/zinc/03/82/11/268038211.db2.gz SZEDIZJWYDTDEX-ZDUSSCGKSA-N 1 1 326.393 1.817 20 5 EDBDMO COc1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000274531571 268158263 /nfs/dbraw/zinc/15/82/63/268158263.db2.gz QXWNVPPBIVRFGI-UHFFFAOYSA-N 1 1 336.392 1.839 20 5 EDBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274885934 268230410 /nfs/dbraw/zinc/23/04/10/268230410.db2.gz KFPOQIDCHCXYSJ-CQSZACIVSA-N 1 1 342.355 1.700 20 5 EDBDMO Cc1nn(CCC(=O)NC[C@H]2CCc3[nH+]ccn3C2)c(C)c1[N+](=O)[O-] ZINC000275445327 268343489 /nfs/dbraw/zinc/34/34/89/268343489.db2.gz WBSBSWQSTCXGCE-CYBMUJFWSA-N 1 1 346.391 1.374 20 5 EDBDMO CC(C)c1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000275902013 268383536 /nfs/dbraw/zinc/38/35/36/268383536.db2.gz RVYKWTZOSRCSBB-AWEZNQCLSA-N 1 1 334.420 1.694 20 5 EDBDMO Cn1ncc(Br)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000278529332 268676499 /nfs/dbraw/zinc/67/64/99/268676499.db2.gz RKOFVHWRIYGIEI-UHFFFAOYSA-N 1 1 329.158 1.077 20 5 EDBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000277520497 273203897 /nfs/dbraw/zinc/20/38/97/273203897.db2.gz QSIQWAPOVUBSQR-DAOPMYJZSA-N 1 1 339.417 1.624 20 5 EDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000277520497 273203898 /nfs/dbraw/zinc/20/38/98/273203898.db2.gz QSIQWAPOVUBSQR-DAOPMYJZSA-N 1 1 339.417 1.624 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)c1c([N+](=O)[O-])ncn1C ZINC000284940517 274395384 /nfs/dbraw/zinc/39/53/84/274395384.db2.gz QLNUASDJBMYNSG-GXTWGEPZSA-N 1 1 347.423 1.581 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000451269421 275042056 /nfs/dbraw/zinc/04/20/56/275042056.db2.gz SVCLBGBQSSFMFV-HOTGVXAUSA-N 1 1 334.351 1.591 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000451269421 275042057 /nfs/dbraw/zinc/04/20/57/275042057.db2.gz SVCLBGBQSSFMFV-HOTGVXAUSA-N 1 1 334.351 1.591 20 5 EDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000286494666 288019502 /nfs/dbraw/zinc/01/95/02/288019502.db2.gz MAZLLFMCWRLRJA-IKOBMHHLSA-N 1 1 345.399 1.913 20 5 EDBDMO 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349.387 1.969 20 5 EDBDMO CNC(=O)c1ccc(N2CCN(c3[nH+]ccn3C)CC2)c([N+](=O)[O-])c1 ZINC000077209543 441733452 /nfs/dbraw/zinc/73/34/52/441733452.db2.gz RPZSOHUDGWPHFV-UHFFFAOYSA-N 1 1 344.375 1.015 20 5 EDBDMO CCN1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000068127864 441738665 /nfs/dbraw/zinc/73/86/65/441738665.db2.gz BDMKDJCDKSVNKI-UHFFFAOYSA-N 1 1 336.392 1.570 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000173409408 441739750 /nfs/dbraw/zinc/73/97/50/441739750.db2.gz LZKSPYTZWFYXCA-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000173409408 441739752 /nfs/dbraw/zinc/73/97/52/441739752.db2.gz LZKSPYTZWFYXCA-CYBMUJFWSA-N 1 1 341.433 1.926 20 5 EDBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000068095703 441728413 /nfs/dbraw/zinc/72/84/13/441728413.db2.gz SKVHAXFETVIEHI-GFCCVEGCSA-N 1 1 348.403 1.502 20 5 EDBDMO 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20 5 EDBDMO O=C1COc2cc([N+](=O)[O-])c(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2N1 ZINC000327488239 444383260 /nfs/dbraw/zinc/38/32/60/444383260.db2.gz XMKJXONLQJBKMG-QWRGUYRKSA-N 1 1 348.359 1.201 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000580217583 322025809 /nfs/dbraw/zinc/02/58/09/322025809.db2.gz QBNRIHZWXILSEW-WFASDCNBSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(-n2ccnn2)cc1 ZINC000342190768 444555790 /nfs/dbraw/zinc/55/57/90/444555790.db2.gz IGUNGCMANYSMES-NSHDSACASA-N 1 1 327.348 1.760 20 5 EDBDMO COc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000338288325 444612607 /nfs/dbraw/zinc/61/26/07/444612607.db2.gz WZSJFBLIZOIATP-NSHDSACASA-N 1 1 330.348 1.475 20 5 EDBDMO COc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000338288325 444612609 /nfs/dbraw/zinc/61/26/09/444612609.db2.gz WZSJFBLIZOIATP-NSHDSACASA-N 1 1 330.348 1.475 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000343927284 444673788 /nfs/dbraw/zinc/67/37/88/444673788.db2.gz KNRRHVOIUIDZOD-HNNXBMFYSA-N 1 1 335.339 1.353 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000343927284 444673790 /nfs/dbraw/zinc/67/37/90/444673790.db2.gz KNRRHVOIUIDZOD-HNNXBMFYSA-N 1 1 335.339 1.353 20 5 EDBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000338329784 444636672 /nfs/dbraw/zinc/63/66/72/444636672.db2.gz MHLMEQQJLVLUAQ-CYBMUJFWSA-N 1 1 335.360 1.573 20 5 EDBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000338329784 444636676 /nfs/dbraw/zinc/63/66/76/444636676.db2.gz MHLMEQQJLVLUAQ-CYBMUJFWSA-N 1 1 335.360 1.573 20 5 EDBDMO C[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000343999258 444718854 /nfs/dbraw/zinc/71/88/54/444718854.db2.gz FPUXTXHHRMUIQD-HIFRSBDPSA-N 1 1 334.420 1.833 20 5 EDBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000343961471 444695647 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AHOBMVYUXRUOLA-OCCSQVGLSA-N 1 1 337.376 1.064 20 5 EDBDMO CN(C(=O)C[N@H+]1CCCC[C@@H]1CC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000339140734 445053494 /nfs/dbraw/zinc/05/34/94/445053494.db2.gz MNXICSGTMQKMFL-CQSZACIVSA-N 1 1 334.376 1.288 20 5 EDBDMO COC(=O)[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000339223005 445097459 /nfs/dbraw/zinc/09/74/59/445097459.db2.gz IMOJYGOQPYCAKO-NSHDSACASA-N 1 1 332.316 1.640 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000339223005 445097467 /nfs/dbraw/zinc/09/74/67/445097467.db2.gz IMOJYGOQPYCAKO-NSHDSACASA-N 1 1 332.316 1.640 20 5 EDBDMO CS(=O)(=O)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000337505978 445110177 /nfs/dbraw/zinc/11/01/77/445110177.db2.gz FMUJTPSSYSADLU-HNNXBMFYSA-N 1 1 342.417 1.873 20 5 EDBDMO CS(=O)(=O)[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000337505978 445110183 /nfs/dbraw/zinc/11/01/83/445110183.db2.gz FMUJTPSSYSADLU-HNNXBMFYSA-N 1 1 342.417 1.873 20 5 EDBDMO C[C@@H]1[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCC[N@H+]1C ZINC000343467115 445228082 /nfs/dbraw/zinc/22/80/82/445228082.db2.gz ZGVFJIFPEFCYKP-WBMJQRKESA-N 1 1 343.387 1.993 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@H]1CCO ZINC000343565250 445245092 /nfs/dbraw/zinc/24/50/92/445245092.db2.gz HCOIFFSJXZQCIK-CHWSQXEVSA-N 1 1 342.417 1.134 20 5 EDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1C[C@H](F)CN1c1ccncn1 ZINC000348182809 445307879 /nfs/dbraw/zinc/30/78/79/445307879.db2.gz RQXBKSDVEWPXOJ-QWHCGFSZSA-N 1 1 349.370 1.130 20 5 EDBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348269783 445333760 /nfs/dbraw/zinc/33/37/60/445333760.db2.gz GARZPFWLSKGACS-CYBMUJFWSA-N 1 1 325.390 1.452 20 5 EDBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348269783 445333763 /nfs/dbraw/zinc/33/37/63/445333763.db2.gz GARZPFWLSKGACS-CYBMUJFWSA-N 1 1 325.390 1.452 20 5 EDBDMO O=C(C[N@H+]1CCC[C@H]2COCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 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Cc1cc(OCC(=O)N2CC[NH+](CCCF)CC2)ccc1[N+](=O)[O-] ZINC000600076475 449176032 /nfs/dbraw/zinc/17/60/32/449176032.db2.gz LSDRTRJLBLIMRQ-UHFFFAOYSA-N 1 1 339.367 1.786 20 5 EDBDMO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nnc2n1CCCCC2 ZINC000595799857 449173104 /nfs/dbraw/zinc/17/31/04/449173104.db2.gz IRCYHFIOTBKWDM-CYBMUJFWSA-N 1 1 333.396 1.850 20 5 EDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000590522945 449180039 /nfs/dbraw/zinc/18/00/39/449180039.db2.gz IKAIRTVXFDSOKW-OCCSQVGLSA-N 1 1 348.403 1.266 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000590522945 449180044 /nfs/dbraw/zinc/18/00/44/449180044.db2.gz IKAIRTVXFDSOKW-OCCSQVGLSA-N 1 1 348.403 1.266 20 5 EDBDMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000601851010 449183761 /nfs/dbraw/zinc/18/37/61/449183761.db2.gz QWDYUWVVTWOLQA-HNNXBMFYSA-N 1 1 343.387 1.490 20 5 EDBDMO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])C2)c1 ZINC000601851637 449184010 /nfs/dbraw/zinc/18/40/10/449184010.db2.gz UZHCQSKOYQFLRD-AWEZNQCLSA-N 1 1 343.387 1.641 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC(C[NH+]2CCOCC2)C1 ZINC000590568472 449194796 /nfs/dbraw/zinc/19/47/96/449194796.db2.gz VMAGBFZIUAAICU-UHFFFAOYSA-N 1 1 349.387 1.458 20 5 EDBDMO CC(C)(C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000593856085 449240601 /nfs/dbraw/zinc/24/06/01/449240601.db2.gz VCOTYRORSXMYKI-OAHLLOKOSA-N 1 1 333.388 1.150 20 5 EDBDMO CC(C)(C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000593856085 449240609 /nfs/dbraw/zinc/24/06/09/449240609.db2.gz VCOTYRORSXMYKI-OAHLLOKOSA-N 1 1 333.388 1.150 20 5 EDBDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611266500 449244246 /nfs/dbraw/zinc/24/42/46/449244246.db2.gz ISOFCZXBDSGZDS-GFCCVEGCSA-N 1 1 349.387 1.844 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000595909346 449247173 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345.399 1.949 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CCC3)[C@@H]2c2ccncc2)c1 ZINC000596040763 449333106 /nfs/dbraw/zinc/33/31/06/449333106.db2.gz YUQUDLOCRMAKEU-CVEARBPZSA-N 1 1 343.387 1.774 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC3(CCC3)[C@@H]2c2ccncc2)c1 ZINC000596040763 449333111 /nfs/dbraw/zinc/33/31/11/449333111.db2.gz YUQUDLOCRMAKEU-CVEARBPZSA-N 1 1 343.387 1.774 20 5 EDBDMO CCN1CC[NH+]([C@@H](C)CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702488 449388036 /nfs/dbraw/zinc/38/80/36/449388036.db2.gz UIYZHDBEMXDACL-ZDUSSCGKSA-N 1 1 344.419 1.976 20 5 EDBDMO Cc1cc(CO)cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000596267193 449446407 /nfs/dbraw/zinc/44/64/07/449446407.db2.gz YWINIJKFBBXSFJ-UHFFFAOYSA-N 1 1 329.360 1.512 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594325064 449450167 /nfs/dbraw/zinc/45/01/67/449450167.db2.gz AUIOCRJUQFMTIG-HUUCEWRRSA-N 1 1 346.387 1.666 20 5 EDBDMO CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000600620733 449462491 /nfs/dbraw/zinc/46/24/91/449462491.db2.gz UBMLOXFVVGKXRW-HRCADAONSA-N 1 1 333.388 1.966 20 5 EDBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000596300041 449463772 /nfs/dbraw/zinc/46/37/72/449463772.db2.gz SMAXRDICGRFLFN-VHSXEESVSA-N 1 1 342.193 1.613 20 5 EDBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000596300041 449463777 /nfs/dbraw/zinc/46/37/77/449463777.db2.gz SMAXRDICGRFLFN-VHSXEESVSA-N 1 1 342.193 1.613 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000596307840 449468091 /nfs/dbraw/zinc/46/80/91/449468091.db2.gz PJXNTUVSSZKLTK-LLVKDONJSA-N 1 1 342.421 1.527 20 5 EDBDMO COC(=O)c1ccnc(NCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000598585309 449477212 /nfs/dbraw/zinc/47/72/12/449477212.db2.gz ABVKMBKMSAMDRJ-LBPRGKRZSA-N 1 1 336.392 2.453 20 5 EDBDMO COCC[N@H+]1CCC[C@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598594480 449480847 /nfs/dbraw/zinc/48/08/47/449480847.db2.gz KTAYFXNRWGBGON-NSHDSACASA-N 1 1 338.364 1.299 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000596426505 449496681 /nfs/dbraw/zinc/49/66/81/449496681.db2.gz BBIHYPYZUQHAGY-RYUDHWBXSA-N 1 1 336.392 1.476 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000596426505 449496685 /nfs/dbraw/zinc/49/66/85/449496685.db2.gz BBIHYPYZUQHAGY-RYUDHWBXSA-N 1 1 336.392 1.476 20 5 EDBDMO COCC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000594549531 449572069 /nfs/dbraw/zinc/57/20/69/449572069.db2.gz CHDTZYDMRJDUCC-CYBMUJFWSA-N 1 1 338.408 2.300 20 5 EDBDMO NC(=O)c1ccnc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596570673 449557110 /nfs/dbraw/zinc/55/71/10/449557110.db2.gz MLINPXANKJWAAM-GFCCVEGCSA-N 1 1 333.392 1.623 20 5 EDBDMO Cn1cc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602448404 449595163 /nfs/dbraw/zinc/59/51/63/449595163.db2.gz HJPPVHJWRQVZPO-OKILXGFUSA-N 1 1 327.388 1.897 20 5 EDBDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594749882 449665650 /nfs/dbraw/zinc/66/56/50/449665650.db2.gz CTYYHSCSOTZWKE-SNVBAGLBSA-N 1 1 336.373 1.125 20 5 EDBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594749882 449665658 /nfs/dbraw/zinc/66/56/58/449665658.db2.gz CTYYHSCSOTZWKE-SNVBAGLBSA-N 1 1 336.373 1.125 20 5 EDBDMO C[N@H+]1CCCN(CCCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601166143 449729185 /nfs/dbraw/zinc/72/91/85/449729185.db2.gz JWWCCMCBPMDJRO-UHFFFAOYSA-N 1 1 338.383 1.491 20 5 EDBDMO CN1CCC[N@H+](CCCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601166143 449729188 /nfs/dbraw/zinc/72/91/88/449729188.db2.gz JWWCCMCBPMDJRO-UHFFFAOYSA-N 1 1 338.383 1.491 20 5 EDBDMO CN1CCC[N@@H+](CCCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601166143 449729192 /nfs/dbraw/zinc/72/91/92/449729192.db2.gz JWWCCMCBPMDJRO-UHFFFAOYSA-N 1 1 338.383 1.491 20 5 EDBDMO COC[C@@](C)(CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602587984 449689270 /nfs/dbraw/zinc/68/92/70/449689270.db2.gz KOAPBVRJBMHBHA-SNVBAGLBSA-N 1 1 339.211 1.906 20 5 EDBDMO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000601209076 449752272 /nfs/dbraw/zinc/75/22/72/449752272.db2.gz AXWQWNUCJPMSDI-NSHDSACASA-N 1 1 325.340 1.432 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000602832081 449843115 /nfs/dbraw/zinc/84/31/15/449843115.db2.gz QDZMVWMABSJTND-QWRGUYRKSA-N 1 1 336.314 1.592 20 5 EDBDMO C[C@@H](NS(=O)(=O)CC1([NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000601387296 449902730 /nfs/dbraw/zinc/90/27/30/449902730.db2.gz TVNAJYPQTGEKJA-LLVKDONJSA-N 1 1 327.406 1.669 20 5 EDBDMO COc1cc(C[N@H+]2C[C@@H](OC)C[C@]2(C)CO)c([N+](=O)[O-])cc1F ZINC000602963225 449966217 /nfs/dbraw/zinc/96/62/17/449966217.db2.gz CUERZMHCHWMXCB-XHDPSFHLSA-N 1 1 328.340 1.714 20 5 EDBDMO COc1cc(C[N@@H+]2C[C@@H](OC)C[C@]2(C)CO)c([N+](=O)[O-])cc1F ZINC000602963225 449966219 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333.344 1.538 20 5 EDBDMO O=C(NCC[NH+]1CCSCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609571194 450054147 /nfs/dbraw/zinc/05/41/47/450054147.db2.gz YEPJXOGTOVZSCE-UHFFFAOYSA-N 1 1 339.373 1.102 20 5 EDBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCOC1 ZINC000609631774 450077326 /nfs/dbraw/zinc/07/73/26/450077326.db2.gz WHRHBSAMCQCCAN-CYBMUJFWSA-N 1 1 333.388 1.842 20 5 EDBDMO C[C@@H]1CN(CC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@@H](C)O1 ZINC000595374608 450087727 /nfs/dbraw/zinc/08/77/27/450087727.db2.gz HPTRFVZWKNEWCQ-RBSFLKMASA-N 1 1 349.435 1.585 20 5 EDBDMO CNc1c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000613231702 450092598 /nfs/dbraw/zinc/09/25/98/450092598.db2.gz FGMLUILPRGAVEB-ZFWWWQNUSA-N 1 1 348.403 1.308 20 5 EDBDMO COC[C@]1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000599701168 450163204 /nfs/dbraw/zinc/16/32/04/450163204.db2.gz XPVZMJGHCZFVCN-CJNGLKHVSA-N 1 1 340.376 1.072 20 5 EDBDMO 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ZINC000813634061 593544710 /nfs/dbraw/zinc/54/47/10/593544710.db2.gz BRTNNIXUFXLYEB-OAHLLOKOSA-N 1 1 339.417 1.530 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000813740042 593552593 /nfs/dbraw/zinc/55/25/93/593552593.db2.gz XNJOCEMCWJAAOU-BXKDBHETSA-N 1 1 345.808 1.573 20 5 EDBDMO C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819264906 593747620 /nfs/dbraw/zinc/74/76/20/593747620.db2.gz IFUVQBGEJDFYDM-WMLDXEAASA-N 1 1 337.420 1.719 20 5 EDBDMO C[C@H]1CN(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819264906 593747621 /nfs/dbraw/zinc/74/76/21/593747621.db2.gz IFUVQBGEJDFYDM-WMLDXEAASA-N 1 1 337.420 1.719 20 5 EDBDMO C[C@H]1C[N@H+](CCCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819264906 593747622 /nfs/dbraw/zinc/74/76/22/593747622.db2.gz IFUVQBGEJDFYDM-WMLDXEAASA-N 1 1 337.420 1.719 20 5 EDBDMO C[C@H]1C[N@@H+](CCCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819264906 593747623 /nfs/dbraw/zinc/74/76/23/593747623.db2.gz IFUVQBGEJDFYDM-WMLDXEAASA-N 1 1 337.420 1.719 20 5 EDBDMO COCCC[N@@H+](C)CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821687919 593914528 /nfs/dbraw/zinc/91/45/28/593914528.db2.gz VTKKEAUYVMSCRE-UHFFFAOYSA-N 1 1 335.368 1.155 20 5 EDBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCC[N@@H+]1CC[C@@H](O)C1 ZINC000827536957 594227242 /nfs/dbraw/zinc/22/72/42/594227242.db2.gz YZFPYBQRYOUIFM-LLVKDONJSA-N 1 1 341.795 1.364 20 5 EDBDMO CCC[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+]1CCOC ZINC000827589121 594239366 /nfs/dbraw/zinc/23/93/66/594239366.db2.gz ZAZJBLMVWSPSNW-CQSZACIVSA-N 1 1 329.441 1.781 20 5 EDBDMO CN(C)C(=O)O[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830584261 594429685 /nfs/dbraw/zinc/42/96/85/594429685.db2.gz HLYGBSPPSUMBLC-CABCVRRESA-N 1 1 337.376 1.791 20 5 EDBDMO CN(C)C(=O)O[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830584261 594429689 /nfs/dbraw/zinc/42/96/89/594429689.db2.gz HLYGBSPPSUMBLC-CABCVRRESA-N 1 1 337.376 1.791 20 5 EDBDMO COCC[N@@H+]1[C@H](C)CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000826633476 594544026 /nfs/dbraw/zinc/54/40/26/594544026.db2.gz RICRGLKLAKMXIV-TXEJJXNPSA-N 1 1 336.392 1.239 20 5 EDBDMO C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000836367749 594956191 /nfs/dbraw/zinc/95/61/91/594956191.db2.gz GKOHXHISTOFRCO-ZOWXZIJZSA-N 1 1 336.392 1.674 20 5 EDBDMO C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000836367749 594956193 /nfs/dbraw/zinc/95/61/93/594956193.db2.gz GKOHXHISTOFRCO-ZOWXZIJZSA-N 1 1 336.392 1.674 20 5 EDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000834817245 595222040 /nfs/dbraw/zinc/22/20/40/595222040.db2.gz LQFJLDMUCWKVTR-CYBMUJFWSA-N 1 1 326.284 1.277 20 5 EDBDMO CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000867424075 595243101 /nfs/dbraw/zinc/24/31/01/595243101.db2.gz LAPHCEGVSWODIY-LLVKDONJSA-N 1 1 331.419 1.371 20 5 EDBDMO C[C@@H]1COCC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481795 595390915 /nfs/dbraw/zinc/39/09/15/595390915.db2.gz DLPZMUQERAZTPA-BBRMVZONSA-N 1 1 333.388 1.837 20 5 EDBDMO C[C@@H]1COCC[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481795 595390916 /nfs/dbraw/zinc/39/09/16/595390916.db2.gz DLPZMUQERAZTPA-BBRMVZONSA-N 1 1 333.388 1.837 20 5 EDBDMO C[N@H+]1CC[C@H](CCOC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000847826660 595488933 /nfs/dbraw/zinc/48/89/33/595488933.db2.gz IGWNQFCTAXQTBN-GFCCVEGCSA-N 1 1 345.359 1.674 20 5 EDBDMO C[N@H+]1CC[C@H](CCOC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000847830490 595489645 /nfs/dbraw/zinc/48/96/45/595489645.db2.gz RFLLBCUHIOCKJI-CYBMUJFWSA-N 1 1 349.387 1.600 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC[N@@H+]2Cc2ccccc2)n1 ZINC000851468406 595818052 /nfs/dbraw/zinc/81/80/52/595818052.db2.gz MGMVPHDWKKRIEK-ZDUSSCGKSA-N 1 1 330.344 1.760 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC[N@H+]2Cc2ccccc2)n1 ZINC000851468406 595818055 /nfs/dbraw/zinc/81/80/55/595818055.db2.gz MGMVPHDWKKRIEK-ZDUSSCGKSA-N 1 1 330.344 1.760 20 5 EDBDMO O=[N+]([O-])c1ccc(Br)cc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000858813009 595897068 /nfs/dbraw/zinc/89/70/68/595897068.db2.gz YFZGWTWVZMAWAN-SNVBAGLBSA-N 1 1 330.182 1.836 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)c3ccccn3)CC2)cc1 ZINC000851715364 595894929 /nfs/dbraw/zinc/89/49/29/595894929.db2.gz RMUQQLLCBVDVQA-KRWDZBQOSA-N 1 1 328.372 1.845 20 5 EDBDMO O=[N+]([O-])c1c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)nc2ccccn21 ZINC000853966734 595936496 /nfs/dbraw/zinc/93/64/96/595936496.db2.gz YFCAVHHTLWWRIT-ZDUSSCGKSA-N 1 1 331.376 1.278 20 5 EDBDMO O=C(CC[N@H+]1CCn2cncc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852066910 596031086 /nfs/dbraw/zinc/03/10/86/596031086.db2.gz VHXCWOLFEPHXML-UHFFFAOYSA-N 1 1 333.323 1.775 20 5 EDBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000854352950 596047832 /nfs/dbraw/zinc/04/78/32/596047832.db2.gz NXJJSLYHVDDXDG-CYBMUJFWSA-N 1 1 336.367 1.162 20 5 EDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852558669 596197470 /nfs/dbraw/zinc/19/74/70/596197470.db2.gz JQQKYFLULDSOMA-QMTHXVAHSA-N 1 1 325.340 1.908 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000123294031 596336888 /nfs/dbraw/zinc/33/68/88/596336888.db2.gz DKWAFKLCQPLRQZ-UHFFFAOYSA-N 1 1 327.356 1.740 20 5 EDBDMO C[C@]([NH3+])(C(=O)N1CCN(C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000870886507 596390618 /nfs/dbraw/zinc/39/06/18/596390618.db2.gz LZYAOZGCBOULOP-QGZVFWFLSA-N 1 1 332.404 1.465 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)C(C)(C)CC2)c(C)c1[N+](=O)[O-] ZINC000871153025 596480880 /nfs/dbraw/zinc/48/08/80/596480880.db2.gz CSYDPPHGQRXMJG-UHFFFAOYSA-N 1 1 337.424 1.741 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC[C@H]21 ZINC000867812077 596563532 /nfs/dbraw/zinc/56/35/32/596563532.db2.gz HWSINJPEBUBXDU-VHSXEESVSA-N 1 1 331.419 1.371 20 5 EDBDMO C[C@@]([NH3+])(C(=O)N1CCC2(C1)CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000867943558 596627800 /nfs/dbraw/zinc/62/78/00/596627800.db2.gz YXGYJHJIZOVLEL-INIZCTEOSA-N 1 1 333.388 1.798 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000867974832 596641073 /nfs/dbraw/zinc/64/10/73/596641073.db2.gz WOOPLQGJMPNDJA-XCRHUMRWSA-N 1 1 346.431 1.711 20 5 EDBDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000119846311 596757101 /nfs/dbraw/zinc/75/71/01/596757101.db2.gz UWPHVGCFRRFHNQ-NXEZZACHSA-N 1 1 333.435 1.760 20 5 EDBDMO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206000 596826669 /nfs/dbraw/zinc/82/66/69/596826669.db2.gz PXHAXXKYABGXKW-WCQYABFASA-N 1 1 334.376 1.697 20 5 EDBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCN(C)CC1 ZINC000866219607 596832220 /nfs/dbraw/zinc/83/22/20/596832220.db2.gz SZCHZXPXDDJGGM-AWEZNQCLSA-N 1 1 338.427 1.892 20 5 EDBDMO CC(C)[C@H]1CN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC[N@H+]1C ZINC000872737731 597053614 /nfs/dbraw/zinc/05/36/14/597053614.db2.gz RRRZJACTXBSNNQ-CYBMUJFWSA-N 1 1 334.376 1.732 20 5 EDBDMO C[C@@]([NH3+])(C(=O)N1CCO[C@](C)(C(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000876980055 597404112 /nfs/dbraw/zinc/40/41/12/597404112.db2.gz DQPFNQLBJBPPIU-GJZGRUSLSA-N 1 1 343.330 1.651 20 5 EDBDMO CN1CCN(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000877746386 597552632 /nfs/dbraw/zinc/55/26/32/597552632.db2.gz NMKGRQKKTYMMTN-UHFFFAOYSA-N 1 1 332.448 1.849 20 5 EDBDMO CC1(C)C[C@H](O)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000879623536 597663209 /nfs/dbraw/zinc/66/32/09/597663209.db2.gz ZXYOMFCTSOSJGN-LSDHHAIUSA-N 1 1 333.388 1.793 20 5 EDBDMO CC1(C)C[C@H](O)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000879623536 597663210 /nfs/dbraw/zinc/66/32/10/597663210.db2.gz ZXYOMFCTSOSJGN-LSDHHAIUSA-N 1 1 333.388 1.793 20 5 EDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881821716 597740271 /nfs/dbraw/zinc/74/02/71/597740271.db2.gz LAVAAQSHLJYRGS-LBPRGKRZSA-N 1 1 325.388 1.814 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879245260 597863743 /nfs/dbraw/zinc/86/37/43/597863743.db2.gz XCAWDLOLTLDQKC-AEFFLSMTSA-N 1 1 343.383 1.955 20 5 EDBDMO NC(=O)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000880394852 597923092 /nfs/dbraw/zinc/92/30/92/597923092.db2.gz VYQBCFCOKKVGQS-UHFFFAOYSA-N 1 1 327.768 1.715 20 5 EDBDMO NC(=O)C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000880394852 597923094 /nfs/dbraw/zinc/92/30/94/597923094.db2.gz VYQBCFCOKKVGQS-UHFFFAOYSA-N 1 1 327.768 1.715 20 5 EDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000880423888 597927832 /nfs/dbraw/zinc/92/78/32/597927832.db2.gz GEEREDYUUSHDMT-NUEKZKHPSA-N 1 1 340.376 1.070 20 5 EDBDMO CC(=O)OC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153252151 695587705 /nfs/dbraw/zinc/58/77/05/695587705.db2.gz YSJCEYCCJIFMQB-LLVKDONJSA-N 1 1 335.360 1.949 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000917654065 697059337 /nfs/dbraw/zinc/05/93/37/697059337.db2.gz UQBNVJJBNFKUBM-QWRGUYRKSA-N 1 1 343.380 1.639 20 5 EDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1cscn1 ZINC001031574085 697269352 /nfs/dbraw/zinc/26/93/52/697269352.db2.gz IEYFUUYKVDXNNV-UHFFFAOYSA-N 1 1 332.385 1.913 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1ccc(F)nc1 ZINC001031581684 697277106 /nfs/dbraw/zinc/27/71/06/697277106.db2.gz HOFJOEFAOSLZOH-UHFFFAOYSA-N 1 1 344.346 1.991 20 5 EDBDMO C[C@@H](NC(=O)NCC[N@H+]1CCCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000922608361 704127376 /nfs/dbraw/zinc/12/73/76/704127376.db2.gz RUDSSAICLBEVGZ-CYBMUJFWSA-N 1 1 336.392 1.677 20 5 EDBDMO COc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001034642984 710319067 /nfs/dbraw/zinc/31/90/67/710319067.db2.gz IMYMKIJDZQXBHU-CZPYZCIJSA-N 1 1 348.403 1.272 20 5 EDBDMO CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034643707 710319782 /nfs/dbraw/zinc/31/97/82/710319782.db2.gz RMVVVPKNHXZOFU-RGCMKSIDSA-N 1 1 336.392 1.419 20 5 EDBDMO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)sn1 ZINC001034644451 710320320 /nfs/dbraw/zinc/32/03/20/710320320.db2.gz GZXPHGXUXGOZTR-HBJVGIJOSA-N 1 1 338.433 1.634 20 5 EDBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000560741909 306278358 /nfs/dbraw/zinc/27/83/58/306278358.db2.gz SXUZBVIUYUIJEO-LBPRGKRZSA-N 1 1 335.408 1.978 20 5 EDBDMO C[N@H+]1CC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000369572697 283042026 /nfs/dbraw/zinc/04/20/26/283042026.db2.gz BFUPYGFIMDZPPN-NHYWBVRUSA-N 1 1 349.416 1.662 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@@H+](C)CC2(C)C)c1F ZINC000413665101 304072347 /nfs/dbraw/zinc/07/23/47/304072347.db2.gz FJHBCWNBIULMQN-UHFFFAOYSA-N 1 1 339.367 1.838 20 5 EDBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176217466 138705890 /nfs/dbraw/zinc/70/58/90/138705890.db2.gz GQENTZHEMPHFDF-UONOGXRCSA-N 1 1 337.424 1.808 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131497605 223240643 /nfs/dbraw/zinc/24/06/43/223240643.db2.gz FSCYERPSNKUOPI-OAHLLOKOSA-N 1 1 335.404 1.870 20 5 EDBDMO Cc1noc(C2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n1 ZINC000054678069 201132118 /nfs/dbraw/zinc/13/21/18/201132118.db2.gz OKXZEBKRAPBQFY-UHFFFAOYSA-N 1 1 345.359 1.765 20 5 EDBDMO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1F ZINC000092992324 203089313 /nfs/dbraw/zinc/08/93/13/203089313.db2.gz RMKSWCTZEHYHJF-SNVBAGLBSA-N 1 1 345.396 1.803 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000072632219 203239019 /nfs/dbraw/zinc/23/90/19/203239019.db2.gz LYZVLNFKJKUIRE-RDJZCZTQSA-N 1 1 346.387 1.134 20 5 EDBDMO CNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000111268052 204345562 /nfs/dbraw/zinc/34/55/62/204345562.db2.gz HDWIOKXSWQJSJD-GFCCVEGCSA-N 1 1 334.376 1.381 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111353041 204352293 /nfs/dbraw/zinc/35/22/93/204352293.db2.gz CHEJGNHYBKNQGS-GFCCVEGCSA-N 1 1 327.406 1.748 20 5 EDBDMO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000126257903 205048500 /nfs/dbraw/zinc/04/85/00/205048500.db2.gz XPYUMLFKJLWMLN-DGCLKSJQSA-N 1 1 339.417 1.639 20 5 EDBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000126799491 205071916 /nfs/dbraw/zinc/07/19/16/205071916.db2.gz UTABSHMYANFDDK-IBILFNBTSA-N 1 1 330.406 1.033 20 5 EDBDMO CCS(=O)(=O)NCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130887930 205263525 /nfs/dbraw/zinc/26/35/25/205263525.db2.gz XGEXMURWDITDBD-UHFFFAOYSA-N 1 1 341.433 1.889 20 5 EDBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245514426 139077536 /nfs/dbraw/zinc/07/75/36/139077536.db2.gz BVPJVJXJHWPKPA-TZMCWYRMSA-N 1 1 341.433 1.978 20 5 EDBDMO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245514426 139077537 /nfs/dbraw/zinc/07/75/37/139077537.db2.gz BVPJVJXJHWPKPA-TZMCWYRMSA-N 1 1 341.433 1.978 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000112079749 220239878 /nfs/dbraw/zinc/23/98/78/220239878.db2.gz QDLXNOUAUSGGFT-GFCCVEGCSA-N 1 1 335.408 1.002 20 5 EDBDMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000155318690 206000068 /nfs/dbraw/zinc/00/00/68/206000068.db2.gz LILJLZNOQSCXLS-TXEJJXNPSA-N 1 1 344.375 1.340 20 5 EDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000155318690 206000074 /nfs/dbraw/zinc/00/00/74/206000074.db2.gz LILJLZNOQSCXLS-TXEJJXNPSA-N 1 1 344.375 1.340 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000246160504 139097140 /nfs/dbraw/zinc/09/71/40/139097140.db2.gz LUTMTXDTQVXASQ-IUODEOHRSA-N 1 1 341.433 1.697 20 5 EDBDMO Cc1noc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000159773224 206263005 /nfs/dbraw/zinc/26/30/05/206263005.db2.gz POHQTIFDXWMOOW-LBPRGKRZSA-N 1 1 333.348 1.328 20 5 EDBDMO COc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000246641348 139116093 /nfs/dbraw/zinc/11/60/93/139116093.db2.gz FRBPOUQLOOVAOT-RYUDHWBXSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000246641348 139116094 /nfs/dbraw/zinc/11/60/94/139116094.db2.gz FRBPOUQLOOVAOT-RYUDHWBXSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1cc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000248639069 139169669 /nfs/dbraw/zinc/16/96/69/139169669.db2.gz WMDZTVNIMGSJSS-RYUDHWBXSA-N 1 1 341.383 1.629 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000248918117 139180661 /nfs/dbraw/zinc/18/06/61/139180661.db2.gz WICXLMNIWPCCDY-UKRRQHHQSA-N 1 1 343.387 1.428 20 5 EDBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249052019 139183904 /nfs/dbraw/zinc/18/39/04/139183904.db2.gz IHFHXXFROFWZGH-HUUCEWRRSA-N 1 1 326.397 1.025 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000252007906 139203964 /nfs/dbraw/zinc/20/39/64/139203964.db2.gz YEKPQRLUSLJTCO-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000252007906 139203965 /nfs/dbraw/zinc/20/39/65/139203965.db2.gz YEKPQRLUSLJTCO-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO Cc1ccccc1OCC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174695320 207046745 /nfs/dbraw/zinc/04/67/45/207046745.db2.gz LEBFSWAXEDDEKQ-OAHLLOKOSA-N 1 1 334.376 1.471 20 5 EDBDMO CCC[N@@H+](CC)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000174669676 207043368 /nfs/dbraw/zinc/04/33/68/207043368.db2.gz BKRFUGAYIWKXDJ-UHFFFAOYSA-N 1 1 346.391 1.637 20 5 EDBDMO C[C@H](c1cccnc1)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176246167 207206610 /nfs/dbraw/zinc/20/66/10/207206610.db2.gz OUWNFIRPKPKFNQ-CQSZACIVSA-N 1 1 330.392 1.565 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177193698 207305439 /nfs/dbraw/zinc/30/54/39/207305439.db2.gz ZIWNDXCQIWACET-DGCLKSJQSA-N 1 1 347.371 1.528 20 5 EDBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCN1C ZINC000423509200 252056957 /nfs/dbraw/zinc/05/69/57/252056957.db2.gz IXGKWKDBTJCYOL-ZIAGYGMSSA-N 1 1 338.477 1.959 20 5 EDBDMO O=[N+]([O-])c1cc(Br)ccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000371807439 285083151 /nfs/dbraw/zinc/08/31/51/285083151.db2.gz AUEJXQQCDAKCDH-NSHDSACASA-N 1 1 342.193 1.878 20 5 EDBDMO O=[N+]([O-])c1cc(Br)ccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000371807439 285083152 /nfs/dbraw/zinc/08/31/52/285083152.db2.gz AUEJXQQCDAKCDH-NSHDSACASA-N 1 1 342.193 1.878 20 5 EDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000112363958 220314256 /nfs/dbraw/zinc/31/42/56/220314256.db2.gz RNFDWYOQDMTLOD-UHFFFAOYSA-N 1 1 329.422 1.913 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])n1C ZINC000491837958 255151305 /nfs/dbraw/zinc/15/13/05/255151305.db2.gz KCUPIMZLHOYYKD-FNORWQNLSA-N 1 1 347.350 1.863 20 5 EDBDMO CC(C)(C[NH+]1CCOCC1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493512864 255213263 /nfs/dbraw/zinc/21/32/63/255213263.db2.gz BLCOVLCOYQDWBR-BQYQJAHWSA-N 1 1 333.388 1.835 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492954043 255188425 /nfs/dbraw/zinc/18/84/25/255188425.db2.gz IASCHDDTDOWPBY-WNFXYAGKSA-N 1 1 333.388 1.522 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000264151664 139383267 /nfs/dbraw/zinc/38/32/67/139383267.db2.gz QKKQYVVVJMCHKK-NSHDSACASA-N 1 1 329.422 1.912 20 5 EDBDMO Nc1nc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000264333033 139397933 /nfs/dbraw/zinc/39/79/33/139397933.db2.gz TYVUDOCYHYOTCZ-AWEZNQCLSA-N 1 1 342.403 1.944 20 5 EDBDMO COC(=O)c1cnc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488723503 292030252 /nfs/dbraw/zinc/03/02/52/292030252.db2.gz WPUYRSDVTSUYBD-MBNYWOFBSA-N 1 1 348.403 1.943 20 5 EDBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1csc([N+](=O)[O-])c1 ZINC000270736524 140158962 /nfs/dbraw/zinc/15/89/62/140158962.db2.gz ZIDZISBFBTZQJS-LBPRGKRZSA-N 1 1 327.406 1.623 20 5 EDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271134843 140243530 /nfs/dbraw/zinc/24/35/30/140243530.db2.gz QZTOPSLTBSPEBH-JTQLQIEISA-N 1 1 326.349 1.853 20 5 EDBDMO COCC[NH+]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000272797496 140514095 /nfs/dbraw/zinc/51/40/95/140514095.db2.gz HBOBBRYWCMMECX-UHFFFAOYSA-N 1 1 338.364 1.399 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000332259273 141148370 /nfs/dbraw/zinc/14/83/70/141148370.db2.gz DHGJOBFJXRDXOR-BONVTDFDSA-N 1 1 339.342 1.968 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000332680273 141228072 /nfs/dbraw/zinc/22/80/72/141228072.db2.gz SDKNNAJETXHXAI-STQMWFEESA-N 1 1 343.387 1.993 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)n1 ZINC000346260972 143184559 /nfs/dbraw/zinc/18/45/59/143184559.db2.gz LOKFILMZMABHIF-YNEHKIRRSA-N 1 1 335.408 1.614 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000346648702 143226200 /nfs/dbraw/zinc/22/62/00/143226200.db2.gz PMMABSCEJQEWQF-JHJVBQTASA-N 1 1 338.360 1.218 20 5 EDBDMO CCCS(=O)(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369682029 155134682 /nfs/dbraw/zinc/13/46/82/155134682.db2.gz BNJGVYBZPYIGLA-UHFFFAOYSA-N 1 1 330.410 1.253 20 5 EDBDMO Cc1sc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416561924 304331681 /nfs/dbraw/zinc/33/16/81/304331681.db2.gz VJMOQUOZIJOFQS-LLVKDONJSA-N 1 1 347.462 1.975 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000408127492 292175516 /nfs/dbraw/zinc/17/55/16/292175516.db2.gz DSKAXNCNWGPGRY-GFCCVEGCSA-N 1 1 325.390 1.372 20 5 EDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000352569952 149068640 /nfs/dbraw/zinc/06/86/40/149068640.db2.gz ACCMPKDUQQNBOL-ZDUSSCGKSA-N 1 1 341.433 1.351 20 5 EDBDMO Cn1ccnc1[C@@H](NC[C@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000353402703 149392832 /nfs/dbraw/zinc/39/28/32/149392832.db2.gz JNSMPQWDRJHRJV-HOTGVXAUSA-N 1 1 345.403 1.338 20 5 EDBDMO Cn1ccnc1[C@@H](NC[C@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000353402703 149392834 /nfs/dbraw/zinc/39/28/34/149392834.db2.gz JNSMPQWDRJHRJV-HOTGVXAUSA-N 1 1 345.403 1.338 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3NC)[C@H]2C1 ZINC000355390071 150249337 /nfs/dbraw/zinc/24/93/37/150249337.db2.gz UHYDLJHPKYBZTI-GJZGRUSLSA-N 1 1 348.403 1.572 20 5 EDBDMO COc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000361905195 286197817 /nfs/dbraw/zinc/19/78/17/286197817.db2.gz CVHDAWBSDXNMQZ-RISCZKNCSA-N 1 1 349.387 1.778 20 5 EDBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000357543929 151062879 /nfs/dbraw/zinc/06/28/79/151062879.db2.gz DHHHWBOQVONPEG-JTQLQIEISA-N 1 1 330.410 1.383 20 5 EDBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000360810142 152215583 /nfs/dbraw/zinc/21/55/83/152215583.db2.gz KPOBWYXULVDAFZ-NSHDSACASA-N 1 1 332.364 1.392 20 5 EDBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000370141400 155344990 /nfs/dbraw/zinc/34/49/90/155344990.db2.gz SDKVDZSCZNBFEW-OAHLLOKOSA-N 1 1 336.392 1.232 20 5 EDBDMO O=C(CC[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000361331390 152364114 /nfs/dbraw/zinc/36/41/14/152364114.db2.gz NBKOUWCKFSHPMY-KGLIPLIRSA-N 1 1 332.360 1.276 20 5 EDBDMO CC(=O)c1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000367442874 154123923 /nfs/dbraw/zinc/12/39/23/154123923.db2.gz MBPLJENUYDSXTB-IAGOWNOFSA-N 1 1 333.388 1.833 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000367580711 154185977 /nfs/dbraw/zinc/18/59/77/154185977.db2.gz BJQCNOSWSZNGSQ-SMDDNHRTSA-N 1 1 325.390 1.310 20 5 EDBDMO Cc1cc(C2=CC[N@@H+](CCN3CCNC3=O)CC2)cc([N+](=O)[O-])c1N ZINC000368009841 154365774 /nfs/dbraw/zinc/36/57/74/154365774.db2.gz PKENDXFEYDMZJP-UHFFFAOYSA-N 1 1 345.403 1.600 20 5 EDBDMO C[N@H+]1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 ZINC000372327301 156334429 /nfs/dbraw/zinc/33/44/29/156334429.db2.gz VTCPHIGCRPFTCG-KBPBESRZSA-N 1 1 329.360 1.005 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373909173 157060220 /nfs/dbraw/zinc/06/02/20/157060220.db2.gz JWYKEEUKJFUIJU-GTNSWQLSSA-N 1 1 349.387 1.777 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373909173 157060221 /nfs/dbraw/zinc/06/02/21/157060221.db2.gz JWYKEEUKJFUIJU-GTNSWQLSSA-N 1 1 349.387 1.777 20 5 EDBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000378361206 158152457 /nfs/dbraw/zinc/15/24/57/158152457.db2.gz DTWQPBZZNLKICC-HIFRSBDPSA-N 1 1 334.380 1.113 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000378391591 158162268 /nfs/dbraw/zinc/16/22/68/158162268.db2.gz CNDLYIUWCUEUDX-IIAWOOMASA-N 1 1 338.408 1.291 20 5 EDBDMO CCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352501222 162215522 /nfs/dbraw/zinc/21/55/22/162215522.db2.gz SUPXIRJPPZLASJ-SNVBAGLBSA-N 1 1 333.435 1.809 20 5 EDBDMO CCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352501222 162215525 /nfs/dbraw/zinc/21/55/25/162215525.db2.gz SUPXIRJPPZLASJ-SNVBAGLBSA-N 1 1 333.435 1.809 20 5 EDBDMO Cc1cccc(NCCNC(=O)COc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000126133624 287416530 /nfs/dbraw/zinc/41/65/30/287416530.db2.gz KNJXPXLINRBSSJ-UHFFFAOYSA-N 1 1 330.344 1.905 20 5 EDBDMO Cc1sc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123177691 222230252 /nfs/dbraw/zinc/23/02/52/222230252.db2.gz ROFHDIIHVKKFRK-SNVBAGLBSA-N 1 1 347.462 1.975 20 5 EDBDMO Cc1sc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123177691 222230254 /nfs/dbraw/zinc/23/02/54/222230254.db2.gz ROFHDIIHVKKFRK-SNVBAGLBSA-N 1 1 347.462 1.975 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000275406552 268337753 /nfs/dbraw/zinc/33/77/53/268337753.db2.gz SMEALRJVQNMUCG-LBPRGKRZSA-N 1 1 343.387 1.850 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000275823849 268374607 /nfs/dbraw/zinc/37/46/07/268374607.db2.gz NJGRWPAJBWHVGO-JTQLQIEISA-N 1 1 328.800 1.925 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCCCO ZINC000276221945 273154588 /nfs/dbraw/zinc/15/45/88/273154588.db2.gz BFBZDGWESPMLOS-NSHDSACASA-N 1 1 325.365 1.635 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CC=CCC1 ZINC000280553741 273370652 /nfs/dbraw/zinc/37/06/52/273370652.db2.gz WETOMZMLNQTUFB-UHFFFAOYSA-N 1 1 332.360 1.220 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000280553741 273370654 /nfs/dbraw/zinc/37/06/54/273370654.db2.gz WETOMZMLNQTUFB-UHFFFAOYSA-N 1 1 332.360 1.220 20 5 EDBDMO C[C@H](CO)[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000280576052 273373046 /nfs/dbraw/zinc/37/30/46/273373046.db2.gz SKQMTRWHVOGHSB-CZUORRHYSA-N 1 1 338.404 1.817 20 5 EDBDMO COCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000490093157 274024771 /nfs/dbraw/zinc/02/47/71/274024771.db2.gz SEWINXNAPXKITQ-CYBMUJFWSA-N 1 1 340.376 1.720 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n1C ZINC000284198019 274113563 /nfs/dbraw/zinc/11/35/63/274113563.db2.gz ZLEAVIMBCMQVGS-UHFFFAOYSA-N 1 1 336.327 1.046 20 5 EDBDMO CCOc1cc(C[N@@H+]2CC[C@H]3OCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000284872332 274367489 /nfs/dbraw/zinc/36/74/89/274367489.db2.gz SOFKAAAHZRORQV-HZPDHXFCSA-N 1 1 335.404 1.898 20 5 EDBDMO CCOc1cc(C[N@H+]2CC[C@H]3OCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000284872332 274367492 /nfs/dbraw/zinc/36/74/92/274367492.db2.gz SOFKAAAHZRORQV-HZPDHXFCSA-N 1 1 335.404 1.898 20 5 EDBDMO CC(=O)c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000267404665 275503910 /nfs/dbraw/zinc/50/39/10/275503910.db2.gz QHQLCDNYDMFGDK-AWEZNQCLSA-N 1 1 333.388 1.956 20 5 EDBDMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000255485965 287841110 /nfs/dbraw/zinc/84/11/10/287841110.db2.gz JAFUWRMGRBOPEM-JTGQJZMRSA-N 1 1 345.399 1.931 20 5 EDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000157262787 277156765 /nfs/dbraw/zinc/15/67/65/277156765.db2.gz WGQNLPPAECIXTI-UKRRQHHQSA-N 1 1 332.404 1.949 20 5 EDBDMO COC(=O)[C@@]12CCC[C@H]1C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000371710133 277378819 /nfs/dbraw/zinc/37/88/19/277378819.db2.gz XNUUDPGKFCHIIT-BLLLJJGKSA-N 1 1 335.360 1.032 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000286720160 288069828 /nfs/dbraw/zinc/06/98/28/288069828.db2.gz DZKNREFRQVFZIA-VHSXEESVSA-N 1 1 337.405 1.491 20 5 EDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000332495261 279102673 /nfs/dbraw/zinc/10/26/73/279102673.db2.gz BQDLXGWIRKIDMN-WDEREUQCSA-N 1 1 335.360 1.531 20 5 EDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000332495261 279102675 /nfs/dbraw/zinc/10/26/75/279102675.db2.gz BQDLXGWIRKIDMN-WDEREUQCSA-N 1 1 335.360 1.531 20 5 EDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189144458 279309947 /nfs/dbraw/zinc/30/99/47/279309947.db2.gz YLFPRANSCZZFQN-CHWSQXEVSA-N 1 1 341.433 1.994 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000371506123 280259545 /nfs/dbraw/zinc/25/95/45/280259545.db2.gz OKVCFGIXTCZDIF-TZMCWYRMSA-N 1 1 339.417 1.618 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287387500 288226414 /nfs/dbraw/zinc/22/64/14/288226414.db2.gz INRUBMODZXAGCX-TZMCWYRMSA-N 1 1 343.387 1.958 20 5 EDBDMO O=C([C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000287452341 288241403 /nfs/dbraw/zinc/24/14/03/288241403.db2.gz QRKRYMJUQQNCBT-ZDUSSCGKSA-N 1 1 348.359 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CRDZUQLUSFWOOT-UHFFFAOYSA-N 1 1 325.340 1.910 20 5 EDBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)c3cccnc3)CC2)c1 ZINC000295589679 303239003 /nfs/dbraw/zinc/23/90/03/303239003.db2.gz SRENJHNTLSGUKD-KRWDZBQOSA-N 1 1 328.372 1.845 20 5 EDBDMO CC[C@H](C)NC(=O)CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298682506 303544360 /nfs/dbraw/zinc/54/43/60/303544360.db2.gz AJTCVHPBIFOSSE-HNNXBMFYSA-N 1 1 348.447 1.670 20 5 EDBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1CCO ZINC000493569199 447343857 /nfs/dbraw/zinc/34/38/57/447343857.db2.gz RYPLFNNWUPMPQT-WHLNPGIBSA-N 1 1 333.388 1.571 20 5 EDBDMO CNC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430284174 305049652 /nfs/dbraw/zinc/04/96/52/305049652.db2.gz MODOXXOOWBFGLR-SJCJKPOMSA-N 1 1 348.403 1.688 20 5 EDBDMO O=C1CCCN1C[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548722 305352893 /nfs/dbraw/zinc/35/28/93/305352893.db2.gz NXTBAOYMSXLWQH-RDJZCZTQSA-N 1 1 347.415 1.758 20 5 EDBDMO 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CNc1nc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000456054473 320305822 /nfs/dbraw/zinc/30/58/22/320305822.db2.gz CVEJRESRYLHANG-LBPRGKRZSA-N 1 1 347.419 1.978 20 5 EDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000493659171 320396612 /nfs/dbraw/zinc/39/66/12/320396612.db2.gz LFGQTAHHSIFOAM-YXMGTMDOSA-N 1 1 333.388 1.571 20 5 EDBDMO COC(=O)c1cnc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000276710282 443799048 /nfs/dbraw/zinc/79/90/48/443799048.db2.gz JGKPBECEJKJTTM-YPMHNXCESA-N 1 1 334.376 1.697 20 5 EDBDMO COc1ccc(NC(=O)CC[N@@H+](C)C(C)(C)C(N)=O)c([N+](=O)[O-])c1 ZINC000298475902 443777322 /nfs/dbraw/zinc/77/73/22/443777322.db2.gz SQCQJUVKNZRSOQ-UHFFFAOYSA-N 1 1 338.364 1.128 20 5 EDBDMO COc1ccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1[N+](=O)[O-] ZINC000292846559 443858182 /nfs/dbraw/zinc/85/81/82/443858182.db2.gz BLNUWZVVIHKNKR-AWEZNQCLSA-N 1 1 347.375 1.524 20 5 EDBDMO COc1ccc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1[N+](=O)[O-] ZINC000292846559 443858186 /nfs/dbraw/zinc/85/81/86/443858186.db2.gz BLNUWZVVIHKNKR-AWEZNQCLSA-N 1 1 347.375 1.524 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000285344032 443949865 /nfs/dbraw/zinc/94/98/65/443949865.db2.gz TWGKSSHXAUBIAU-HUUCEWRRSA-N 1 1 335.360 1.149 20 5 EDBDMO COc1ccc(NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000285525397 444016912 /nfs/dbraw/zinc/01/69/12/444016912.db2.gz QUKGCUWENIKTOU-LLVKDONJSA-N 1 1 338.364 1.134 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000299539002 444074137 /nfs/dbraw/zinc/07/41/37/444074137.db2.gz UBEDWAMZBXRVSM-OLZOCXBDSA-N 1 1 337.424 1.726 20 5 EDBDMO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)CN(C)C ZINC000564854697 321151668 /nfs/dbraw/zinc/15/16/68/321151668.db2.gz SCMILEVGVIUIEX-ZIAGYGMSSA-N 1 1 339.436 1.900 20 5 EDBDMO C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000564854697 321151669 /nfs/dbraw/zinc/15/16/69/321151669.db2.gz SCMILEVGVIUIEX-ZIAGYGMSSA-N 1 1 339.436 1.900 20 5 EDBDMO COC(=O)[C@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000568970623 321312792 /nfs/dbraw/zinc/31/27/92/321312792.db2.gz PLAYAILQZOWDOF-TZMCWYRMSA-N 1 1 349.387 1.262 20 5 EDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000301448611 444172304 /nfs/dbraw/zinc/17/23/04/444172304.db2.gz RKQIWDVZNVQTFF-QWRGUYRKSA-N 1 1 327.356 1.634 20 5 EDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000301448611 444172306 /nfs/dbraw/zinc/17/23/06/444172306.db2.gz RKQIWDVZNVQTFF-QWRGUYRKSA-N 1 1 327.356 1.634 20 5 EDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000285885741 444141510 /nfs/dbraw/zinc/14/15/10/444141510.db2.gz SBHZMBBQMNSQER-DZGCQCFKSA-N 1 1 345.355 1.886 20 5 EDBDMO COc1ccc(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000289452326 444148085 /nfs/dbraw/zinc/14/80/85/444148085.db2.gz FTRZIALTXUISRL-LLVKDONJSA-N 1 1 345.421 1.610 20 5 EDBDMO CC(C)C[N@H+]1CC[C@H](CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301599850 444181318 /nfs/dbraw/zinc/18/13/18/444181318.db2.gz IGGDSCUFYGTWQR-CYBMUJFWSA-N 1 1 345.403 1.993 20 5 EDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000301691911 444185453 /nfs/dbraw/zinc/18/54/53/444185453.db2.gz YZXZTVQGNZHFDE-OLZOCXBDSA-N 1 1 342.193 1.877 20 5 EDBDMO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1ccc(F)cc1 ZINC000301817404 444191798 /nfs/dbraw/zinc/19/17/98/444191798.db2.gz FDBVWELGJJLTOZ-AAEUAGOBSA-N 1 1 332.339 1.963 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000305650664 444271655 /nfs/dbraw/zinc/27/16/55/444271655.db2.gz DFCRAZSMMLEUFT-CQSZACIVSA-N 1 1 335.404 1.870 20 5 EDBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000319615819 444325002 /nfs/dbraw/zinc/32/50/02/444325002.db2.gz ZUKRNSFGHGGQMN-ZJUUUORDSA-N 1 1 331.369 1.495 20 5 EDBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000319615819 444325004 /nfs/dbraw/zinc/32/50/04/444325004.db2.gz ZUKRNSFGHGGQMN-ZJUUUORDSA-N 1 1 331.369 1.495 20 5 EDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000331526797 444475584 /nfs/dbraw/zinc/47/55/84/444475584.db2.gz OTVFSVGIOHNJKY-IINYFYTJSA-N 1 1 325.390 1.356 20 5 EDBDMO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000580067965 322005014 /nfs/dbraw/zinc/00/50/14/322005014.db2.gz QGONOQZABVVSOO-AAEUAGOBSA-N 1 1 341.433 1.918 20 5 EDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1(CS(C)(=O)=O)CC1 ZINC000338350866 444649039 /nfs/dbraw/zinc/64/90/39/444649039.db2.gz QAAYRVCPZLDBIY-UHFFFAOYSA-N 1 1 326.418 1.894 20 5 EDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1(CS(C)(=O)=O)CC1 ZINC000338350866 444649044 /nfs/dbraw/zinc/64/90/44/444649044.db2.gz QAAYRVCPZLDBIY-UHFFFAOYSA-N 1 1 326.418 1.894 20 5 EDBDMO CCc1nn(C)c(N(C)CCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000341036113 444644434 /nfs/dbraw/zinc/64/44/34/444644434.db2.gz CKJCNHHUSUEXNZ-UHFFFAOYSA-N 1 1 326.445 1.210 20 5 EDBDMO CCc1nn(C)c(N(C)CCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000341036113 444644439 /nfs/dbraw/zinc/64/44/39/444644439.db2.gz CKJCNHHUSUEXNZ-UHFFFAOYSA-N 1 1 326.445 1.210 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@](F)(CO)C1 ZINC000338592366 444762726 /nfs/dbraw/zinc/76/27/26/444762726.db2.gz DSNMRHQZMMOWKU-HNNXBMFYSA-N 1 1 341.339 1.338 20 5 EDBDMO CC(=O)NC1CCC([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000344123206 444793001 /nfs/dbraw/zinc/79/30/01/444793001.db2.gz VHEDVPGKXYRHLK-UHFFFAOYSA-N 1 1 348.403 1.573 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342718664 444833018 /nfs/dbraw/zinc/83/30/18/444833018.db2.gz FOWKNLFFZXYNSH-NSHDSACASA-N 1 1 329.303 1.464 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000344403328 444943708 /nfs/dbraw/zinc/94/37/08/444943708.db2.gz BRXDIOGXHDICTB-BXUZGUMPSA-N 1 1 333.344 1.195 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000344403328 444943710 /nfs/dbraw/zinc/94/37/10/444943710.db2.gz BRXDIOGXHDICTB-BXUZGUMPSA-N 1 1 333.344 1.195 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000344432169 444966296 /nfs/dbraw/zinc/96/62/96/444966296.db2.gz SRJQGJGWNDJYAW-YPMHNXCESA-N 1 1 334.376 1.441 20 5 EDBDMO CCOC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337315147 445029896 /nfs/dbraw/zinc/02/98/96/445029896.db2.gz IWQUCEMBCSKMEM-AWEZNQCLSA-N 1 1 335.360 1.951 20 5 EDBDMO CCOC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337315147 445029898 /nfs/dbraw/zinc/02/98/98/445029898.db2.gz IWQUCEMBCSKMEM-AWEZNQCLSA-N 1 1 335.360 1.951 20 5 EDBDMO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C ZINC000330589694 445050275 /nfs/dbraw/zinc/05/02/75/445050275.db2.gz NOGSSERPNKZBDS-OLZOCXBDSA-N 1 1 348.403 1.266 20 5 EDBDMO C[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000330663890 445086340 /nfs/dbraw/zinc/08/63/40/445086340.db2.gz FKMGNHFCLITWDT-JTQLQIEISA-N 1 1 326.784 1.823 20 5 EDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000330664882 445086570 /nfs/dbraw/zinc/08/65/70/445086570.db2.gz GQXDQTQKTUUMAQ-GFCCVEGCSA-N 1 1 329.360 1.557 20 5 EDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000330664882 445086573 /nfs/dbraw/zinc/08/65/73/445086573.db2.gz GQXDQTQKTUUMAQ-GFCCVEGCSA-N 1 1 329.360 1.557 20 5 EDBDMO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000342093617 445168637 /nfs/dbraw/zinc/16/86/37/445168637.db2.gz WRQXORHWDIICFR-ZFVVBOAOSA-N 1 1 344.415 1.759 20 5 EDBDMO NC(=O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343518907 445237601 /nfs/dbraw/zinc/23/76/01/445237601.db2.gz CBFJSHLRCQLPLS-QWHCGFSZSA-N 1 1 337.376 1.064 20 5 EDBDMO CO[C@H]1C[C@H](CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)[N@@H+](C)C1 ZINC000343579581 445249980 /nfs/dbraw/zinc/24/99/80/445249980.db2.gz KDNFLUGJDQBGRD-NEPJUHHUSA-N 1 1 340.355 1.917 20 5 EDBDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000362708647 445511496 /nfs/dbraw/zinc/51/14/96/445511496.db2.gz XFWPIHZQHIWAEV-NSHDSACASA-N 1 1 332.364 1.943 20 5 EDBDMO NC(=O)c1ccc(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000363150549 445698629 /nfs/dbraw/zinc/69/86/29/445698629.db2.gz RUZXMXDTIABJCS-STQMWFEESA-N 1 1 334.376 1.359 20 5 EDBDMO NC(=O)c1ccc(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000363150549 445698634 /nfs/dbraw/zinc/69/86/34/445698634.db2.gz RUZXMXDTIABJCS-STQMWFEESA-N 1 1 334.376 1.359 20 5 EDBDMO Cc1ccc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000363183145 445711870 /nfs/dbraw/zinc/71/18/70/445711870.db2.gz OKAIPCXNSJHKDS-UONOGXRCSA-N 1 1 334.376 1.888 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000350152915 445781542 /nfs/dbraw/zinc/78/15/42/445781542.db2.gz KENRGHHNKJLQRU-LBPRGKRZSA-N 1 1 334.376 1.429 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000350152915 445781547 /nfs/dbraw/zinc/78/15/47/445781547.db2.gz KENRGHHNKJLQRU-LBPRGKRZSA-N 1 1 334.376 1.429 20 5 EDBDMO O=C1[C@@H]([N@@H+]2CC[C@@H](n3cccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000361588615 445836369 /nfs/dbraw/zinc/83/63/69/445836369.db2.gz FUXFJMAFMBOHRZ-CVEARBPZSA-N 1 1 341.371 1.844 20 5 EDBDMO O=C1[C@@H]([N@H+]2CC[C@@H](n3cccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000361588615 445836371 /nfs/dbraw/zinc/83/63/71/445836371.db2.gz FUXFJMAFMBOHRZ-CVEARBPZSA-N 1 1 341.371 1.844 20 5 EDBDMO O=Cc1ccc(OCC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000369132436 445945992 /nfs/dbraw/zinc/94/59/92/445945992.db2.gz NRBGDXUACWNJGG-KGLIPLIRSA-N 1 1 347.371 1.529 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000354223550 446019865 /nfs/dbraw/zinc/01/98/65/446019865.db2.gz LIKJUBLSGWKVKO-SWLSCSKDSA-N 1 1 334.420 1.998 20 5 EDBDMO CO[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000359240973 446072930 /nfs/dbraw/zinc/07/29/30/446072930.db2.gz ZFGPAJRIDSOBIT-WDEREUQCSA-N 1 1 333.348 1.049 20 5 EDBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000369349242 446092294 /nfs/dbraw/zinc/09/22/94/446092294.db2.gz LWCBSVHZVZIPNW-LBPRGKRZSA-N 1 1 329.360 1.811 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000373251076 446124743 /nfs/dbraw/zinc/12/47/43/446124743.db2.gz BXUIRAQYFLPBBJ-INIZCTEOSA-N 1 1 329.356 1.696 20 5 EDBDMO CCn1nc2c(cc1=O)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000366706216 446317446 /nfs/dbraw/zinc/31/74/46/446317446.db2.gz BUNWWLYGYMEHKT-INIZCTEOSA-N 1 1 344.371 1.263 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000365806835 446351187 /nfs/dbraw/zinc/35/11/87/446351187.db2.gz TVSWVAVLAMYXJI-UHFFFAOYSA-N 1 1 335.408 1.553 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000370706401 446395646 /nfs/dbraw/zinc/39/56/46/446395646.db2.gz BESFOPQQZXPPQU-CVEARBPZSA-N 1 1 331.376 1.774 20 5 EDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000376398528 446473907 /nfs/dbraw/zinc/47/39/07/446473907.db2.gz GYNPUBDQAOEWJZ-PEYYIBSZSA-N 1 1 330.388 1.733 20 5 EDBDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000452843348 446483629 /nfs/dbraw/zinc/48/36/29/446483629.db2.gz IAHUEVXVJYNEIK-ZBFHGGJFSA-N 1 1 333.388 1.631 20 5 EDBDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000452843348 446483634 /nfs/dbraw/zinc/48/36/34/446483634.db2.gz IAHUEVXVJYNEIK-ZBFHGGJFSA-N 1 1 333.388 1.631 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCN(c3ncccn3)CC2)c1 ZINC000371000823 446565914 /nfs/dbraw/zinc/56/59/14/446565914.db2.gz XWZHKCVQWKPZMN-INIZCTEOSA-N 1 1 343.387 1.631 20 5 EDBDMO C[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C[NH3+] ZINC000420409697 446582791 /nfs/dbraw/zinc/58/27/91/446582791.db2.gz 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EDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000412079798 446837862 /nfs/dbraw/zinc/83/78/62/446837862.db2.gz LINDQAQWOYVTOG-NEPJUHHUSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000412079798 446837871 /nfs/dbraw/zinc/83/78/71/446837871.db2.gz LINDQAQWOYVTOG-NEPJUHHUSA-N 1 1 337.376 1.635 20 5 EDBDMO Nc1c(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cccc1[N+](=O)[O-] ZINC000368544965 446934287 /nfs/dbraw/zinc/93/42/87/446934287.db2.gz STXMFQFSDMOPQA-UBHSHLNASA-N 1 1 330.388 1.733 20 5 EDBDMO CN(CC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000425059097 447007097 /nfs/dbraw/zinc/00/70/97/447007097.db2.gz QKROWIDGMSIALN-XJKSGUPXSA-N 1 1 332.404 1.584 20 5 EDBDMO COc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc([N+](=O)[O-])c1OC ZINC000425059597 447007259 /nfs/dbraw/zinc/00/72/59/447007259.db2.gz RZEJWQBXYWTDJK-SMDDNHRTSA-N 1 1 349.387 1.778 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000443367584 447042947 /nfs/dbraw/zinc/04/29/47/447042947.db2.gz IBRBLZZLTKJTCU-OCCSQVGLSA-N 1 1 348.403 1.865 20 5 EDBDMO CNc1nc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000455160214 447067055 /nfs/dbraw/zinc/06/70/55/447067055.db2.gz IRMNXJPFQCPAST-GFCCVEGCSA-N 1 1 335.408 1.882 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000375818755 447078657 /nfs/dbraw/zinc/07/86/57/447078657.db2.gz WZNMXAZUBMPCNZ-CGTJXYLNSA-N 1 1 349.431 1.893 20 5 EDBDMO CN1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000375818755 447078661 /nfs/dbraw/zinc/07/86/61/447078661.db2.gz WZNMXAZUBMPCNZ-CGTJXYLNSA-N 1 1 349.431 1.893 20 5 EDBDMO CN1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000375818755 447078666 /nfs/dbraw/zinc/07/86/66/447078666.db2.gz WZNMXAZUBMPCNZ-CGTJXYLNSA-N 1 1 349.431 1.893 20 5 EDBDMO O=C(CC[N@H+]1CC[C@@H](c2nnc[nH]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000425550395 447225733 /nfs/dbraw/zinc/22/57/33/447225733.db2.gz PESXSCAAJSSDBP-LLVKDONJSA-N 1 1 330.348 1.531 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372800145 447290902 /nfs/dbraw/zinc/29/09/02/447290902.db2.gz HWFZWBTYQAXNHB-LSDHHAIUSA-N 1 1 349.387 1.275 20 5 EDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369029924 447276750 /nfs/dbraw/zinc/27/67/50/447276750.db2.gz ZZYIZDASAZMUIM-HOTGVXAUSA-N 1 1 348.403 1.300 20 5 EDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369029926 447277198 /nfs/dbraw/zinc/27/71/98/447277198.db2.gz ZZYIZDASAZMUIM-JKSUJKDBSA-N 1 1 348.403 1.300 20 5 EDBDMO COc1ccc(OCC[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000377665838 447282114 /nfs/dbraw/zinc/28/21/14/447282114.db2.gz BOBSNPKQUUEIMS-WCQYABFASA-N 1 1 335.360 1.050 20 5 EDBDMO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494655046 447454021 /nfs/dbraw/zinc/45/40/21/447454021.db2.gz JKINYZPRMRCLPY-GFCCVEGCSA-N 1 1 335.385 1.887 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450347179 447461838 /nfs/dbraw/zinc/46/18/38/447461838.db2.gz HFLCWLPTUHVCAX-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450347179 447461846 /nfs/dbraw/zinc/46/18/46/447461846.db2.gz HFLCWLPTUHVCAX-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000416553577 447645666 /nfs/dbraw/zinc/64/56/66/447645666.db2.gz CLTPRCGEDLNIQV-CYBMUJFWSA-N 1 1 341.433 1.913 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000427683008 447632862 /nfs/dbraw/zinc/63/28/62/447632862.db2.gz QBHIDXBFEYBSSR-KBPBESRZSA-N 1 1 343.387 1.639 20 5 EDBDMO CC[C@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451254581 447712943 /nfs/dbraw/zinc/71/29/43/447712943.db2.gz LRVKOBPWLVRXBF-ZFWWWQNUSA-N 1 1 333.388 1.577 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000451836481 447758450 /nfs/dbraw/zinc/75/84/50/447758450.db2.gz AUFFMEOKCVELHQ-DZGCQCFKSA-N 1 1 332.360 1.972 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000451836481 447758451 /nfs/dbraw/zinc/75/84/51/447758451.db2.gz AUFFMEOKCVELHQ-DZGCQCFKSA-N 1 1 332.360 1.972 20 5 EDBDMO O=C1N[C@H]2CC[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@@H]2CO1 ZINC000492026008 448160707 /nfs/dbraw/zinc/16/07/07/448160707.db2.gz NGYVGDWGOGUTBB-YPMHNXCESA-N 1 1 331.332 1.332 20 5 EDBDMO O=C1N[C@H]2CC[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@@H]2CO1 ZINC000492026008 448160711 /nfs/dbraw/zinc/16/07/11/448160711.db2.gz NGYVGDWGOGUTBB-YPMHNXCESA-N 1 1 331.332 1.332 20 5 EDBDMO Cc1n[nH]c(C(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000556933800 448173594 /nfs/dbraw/zinc/17/35/94/448173594.db2.gz OEPGJNQXMSOMFG-UHFFFAOYSA-N 1 1 346.391 1.615 20 5 EDBDMO Cc1[nH]nc(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000556933800 448173598 /nfs/dbraw/zinc/17/35/98/448173598.db2.gz OEPGJNQXMSOMFG-UHFFFAOYSA-N 1 1 346.391 1.615 20 5 EDBDMO Cc1[nH]nc(C(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000556933800 448173603 /nfs/dbraw/zinc/17/36/03/448173603.db2.gz OEPGJNQXMSOMFG-UHFFFAOYSA-N 1 1 346.391 1.615 20 5 EDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000514613243 448174486 /nfs/dbraw/zinc/17/44/86/448174486.db2.gz DBFLPAQGCZYSSL-LBPRGKRZSA-N 1 1 335.408 1.835 20 5 EDBDMO CNc1nccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000557522950 448185536 /nfs/dbraw/zinc/18/55/36/448185536.db2.gz HBYOKIHDLJIOBD-NWDGAFQWSA-N 1 1 335.408 1.882 20 5 EDBDMO C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000527459310 448230406 /nfs/dbraw/zinc/23/04/06/448230406.db2.gz NTPJRMFFVVPUBV-JTQLQIEISA-N 1 1 338.339 1.130 20 5 EDBDMO O=C(CC[N@@H+]1CCOC[C@@]12CCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000591036504 448241653 /nfs/dbraw/zinc/24/16/53/448241653.db2.gz VBHZREVBGPUKNT-INIZCTEOSA-N 1 1 335.360 1.415 20 5 EDBDMO O=C(CC[N@H+]1CCOC[C@@]12CCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000591036504 448241662 /nfs/dbraw/zinc/24/16/62/448241662.db2.gz VBHZREVBGPUKNT-INIZCTEOSA-N 1 1 335.360 1.415 20 5 EDBDMO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000591070163 448252319 /nfs/dbraw/zinc/25/23/19/448252319.db2.gz PQKJIEGZYWWGOD-DANNLKNASA-N 1 1 333.388 1.534 20 5 EDBDMO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000591070163 448252331 /nfs/dbraw/zinc/25/23/31/448252331.db2.gz PQKJIEGZYWWGOD-DANNLKNASA-N 1 1 333.388 1.534 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493065228 448359237 /nfs/dbraw/zinc/35/92/37/448359237.db2.gz PNYZUPBFBMQLMC-KTLBGCOUSA-N 1 1 337.351 1.272 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493065228 448359240 /nfs/dbraw/zinc/35/92/40/448359240.db2.gz PNYZUPBFBMQLMC-KTLBGCOUSA-N 1 1 337.351 1.272 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000584538040 448563246 /nfs/dbraw/zinc/56/32/46/448563246.db2.gz DMTVOXPQJQRPAR-MRXNPFEDSA-N 1 1 335.404 1.900 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000584538040 448563253 /nfs/dbraw/zinc/56/32/53/448563253.db2.gz DMTVOXPQJQRPAR-MRXNPFEDSA-N 1 1 335.404 1.900 20 5 EDBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000584791667 448634831 /nfs/dbraw/zinc/63/48/31/448634831.db2.gz DVIBRADBMLRVRO-CYBMUJFWSA-N 1 1 329.360 1.570 20 5 EDBDMO Cc1cc(C[C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000574071873 448785642 /nfs/dbraw/zinc/78/56/42/448785642.db2.gz NLUPWQBXIMVTPA-RISCZKNCSA-N 1 1 334.376 1.587 20 5 EDBDMO CC(C)[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@H+]1C ZINC000588032330 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268181291 /nfs/dbraw/zinc/18/12/91/268181291.db2.gz ITDHWYHHWFRUFO-CQSZACIVSA-N 1 1 341.433 1.887 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCCCO ZINC000276423251 268423989 /nfs/dbraw/zinc/42/39/89/268423989.db2.gz RDQKCJPGIZPIEU-UHFFFAOYSA-N 1 1 325.365 1.636 20 5 EDBDMO C[C@]1(CCCO)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273163211 273030806 /nfs/dbraw/zinc/03/08/06/273030806.db2.gz NWYPJBBDMZVBHL-RHSMWYFYSA-N 1 1 338.404 1.962 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273431684 273039133 /nfs/dbraw/zinc/03/91/33/273039133.db2.gz ARZVNWDGRRCPFV-SNVBAGLBSA-N 1 1 328.394 1.138 20 5 EDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000186826879 272947589 /nfs/dbraw/zinc/94/75/89/272947589.db2.gz IGBKSINVDOXPCD-NEPJUHHUSA-N 1 1 339.367 1.362 20 5 EDBDMO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000280681332 273385120 /nfs/dbraw/zinc/38/51/20/273385120.db2.gz ZJISRAQIGSQATH-LLVKDONJSA-N 1 1 345.396 1.885 20 5 EDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1[NH+]1CCOCC1 ZINC000267577953 274364328 /nfs/dbraw/zinc/36/43/28/274364328.db2.gz YJEYTMIYPOEEDS-MFKMUULPSA-N 1 1 333.348 1.288 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246576821 275042018 /nfs/dbraw/zinc/04/20/18/275042018.db2.gz LRBPKWQQDWQFRV-XKQJLSEDSA-N 1 1 349.435 1.101 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246576821 275042019 /nfs/dbraw/zinc/04/20/19/275042019.db2.gz LRBPKWQQDWQFRV-XKQJLSEDSA-N 1 1 349.435 1.101 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000287397276 288228574 /nfs/dbraw/zinc/22/85/74/288228574.db2.gz NVARUQULUFVAJO-AWEZNQCLSA-N 1 1 346.387 1.138 20 5 EDBDMO CS(=O)(=O)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000292063925 289252791 /nfs/dbraw/zinc/25/27/91/289252791.db2.gz CUBNTZBARJMPMW-UHFFFAOYSA-N 1 1 326.418 1.894 20 5 EDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292086583 289258128 /nfs/dbraw/zinc/25/81/28/289258128.db2.gz GGVCKKIUOFKQFN-CXAGYDPISA-N 1 1 332.404 1.949 20 5 EDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000292189612 289284500 /nfs/dbraw/zinc/28/45/00/289284500.db2.gz GCDIKWHGQGLDNZ-BXUZGUMPSA-N 1 1 348.403 1.371 20 5 EDBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292214745 289291151 /nfs/dbraw/zinc/29/11/51/289291151.db2.gz OPJSBJWDHRNHFT-NSHDSACASA-N 1 1 347.824 1.714 20 5 EDBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292214745 289291153 /nfs/dbraw/zinc/29/11/53/289291153.db2.gz OPJSBJWDHRNHFT-NSHDSACASA-N 1 1 347.824 1.714 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000408060676 302048454 /nfs/dbraw/zinc/04/84/54/302048454.db2.gz GJVPDLMHJIODIA-OLZOCXBDSA-N 1 1 339.417 1.808 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)CO ZINC000295294888 303200858 /nfs/dbraw/zinc/20/08/58/303200858.db2.gz UKUDGMZBKIESDV-NSHDSACASA-N 1 1 339.392 1.881 20 5 EDBDMO C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295317394 303203977 /nfs/dbraw/zinc/20/39/77/303203977.db2.gz KUDYWZQXGFINHH-CYBMUJFWSA-N 1 1 333.388 1.916 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000296903825 303345835 /nfs/dbraw/zinc/34/58/35/303345835.db2.gz OMWRFVBSTAYNCE-IUODEOHRSA-N 1 1 336.392 1.822 20 5 EDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429001044 305022254 /nfs/dbraw/zinc/02/22/54/305022254.db2.gz WMVDSRZTBCQRDY-DVOMOZLQSA-N 1 1 346.431 1.856 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2nn[nH]c2C1 ZINC000429283605 305027551 /nfs/dbraw/zinc/02/75/51/305027551.db2.gz JSFNDVFBJKYFGV-UHFFFAOYSA-N 1 1 346.347 1.108 20 5 EDBDMO C[C@@H](O)C[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000436460116 305157587 /nfs/dbraw/zinc/15/75/87/305157587.db2.gz MXCKQEPAXGMWIM-LLVKDONJSA-N 1 1 333.348 1.148 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000441987563 305224575 /nfs/dbraw/zinc/22/45/75/305224575.db2.gz RKJNHEPVYWVQOK-LLVKDONJSA-N 1 1 332.360 1.195 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000444938527 305255196 /nfs/dbraw/zinc/25/51/96/305255196.db2.gz YPUCWQGCVRPPSD-LLVKDONJSA-N 1 1 338.364 1.134 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000444938527 305255197 /nfs/dbraw/zinc/25/51/97/305255197.db2.gz YPUCWQGCVRPPSD-LLVKDONJSA-N 1 1 338.364 1.134 20 5 EDBDMO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000449130997 305307367 /nfs/dbraw/zinc/30/73/67/305307367.db2.gz JIYSUEDRYQHRJD-CVEARBPZSA-N 1 1 334.464 1.999 20 5 EDBDMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550855 305352845 /nfs/dbraw/zinc/35/28/45/305352845.db2.gz SONWEVUBOKIKJL-CQSZACIVSA-N 1 1 341.433 1.714 20 5 EDBDMO CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550855 305352846 /nfs/dbraw/zinc/35/28/46/305352846.db2.gz SONWEVUBOKIKJL-CQSZACIVSA-N 1 1 341.433 1.714 20 5 EDBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000452347730 305391090 /nfs/dbraw/zinc/39/10/90/305391090.db2.gz JONCHWPFMUVQOG-ZDUSSCGKSA-N 1 1 337.376 1.180 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(F)cc1[N+](=O)[O-] ZINC000452367797 305393399 /nfs/dbraw/zinc/39/33/99/305393399.db2.gz QFYFCKZBBIREHO-GFCCVEGCSA-N 1 1 325.340 1.311 20 5 EDBDMO COc1c(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cccc1[N+](=O)[O-] ZINC000452380407 305395323 /nfs/dbraw/zinc/39/53/23/305395323.db2.gz SSOGKQFQYPORAE-LBPRGKRZSA-N 1 1 337.376 1.180 20 5 EDBDMO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccccc1[N+](=O)[O-] ZINC000452386890 305396773 /nfs/dbraw/zinc/39/67/73/305396773.db2.gz YGHHQXOGNDJVPN-CQSZACIVSA-N 1 1 349.431 1.835 20 5 EDBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000534579633 306008169 /nfs/dbraw/zinc/00/81/69/306008169.db2.gz YQVIVZAOZGHPIR-ZDUSSCGKSA-N 1 1 329.360 1.417 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000544659125 306077787 /nfs/dbraw/zinc/07/77/87/306077787.db2.gz FANYNZKKUUQOOS-NSHDSACASA-N 1 1 341.433 1.832 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000080439381 441170623 /nfs/dbraw/zinc/17/06/23/441170623.db2.gz XJHRDAFJWUWECS-GFCCVEGCSA-N 1 1 339.392 1.997 20 5 EDBDMO C[C@@H]1C[N@H+](CCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000025151610 441331677 /nfs/dbraw/zinc/33/16/77/441331677.db2.gz VVQJJIFMBXQNKP-TXEJJXNPSA-N 1 1 336.392 1.605 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000106398923 441339393 /nfs/dbraw/zinc/33/93/93/441339393.db2.gz WKCWNZSKTDEDMC-UHFFFAOYSA-N 1 1 337.376 1.132 20 5 EDBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000106400421 441339557 /nfs/dbraw/zinc/33/95/57/441339557.db2.gz CMGAANPQGBCBKX-UHFFFAOYSA-N 1 1 341.795 1.777 20 5 EDBDMO Cc1cc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000081764978 441310877 /nfs/dbraw/zinc/31/08/77/441310877.db2.gz DRMLFYZEHDXXIF-ZDUSSCGKSA-N 1 1 349.435 1.099 20 5 EDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000073842146 441359608 /nfs/dbraw/zinc/35/96/08/441359608.db2.gz ZERPHXSZEJOJDE-NSHDSACASA-N 1 1 325.390 1.357 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108617964 441469237 /nfs/dbraw/zinc/46/92/37/441469237.db2.gz VXCTYPRQCKYTIU-CQSZACIVSA-N 1 1 346.387 1.442 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000074970960 441483596 /nfs/dbraw/zinc/48/35/96/441483596.db2.gz HNLRBEKAJZYUPS-OLZOCXBDSA-N 1 1 339.417 1.760 20 5 EDBDMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000088546369 441512759 /nfs/dbraw/zinc/51/27/59/441512759.db2.gz ORBJENBFJPGQDG-OAHLLOKOSA-N 1 1 337.332 1.794 20 5 EDBDMO C[NH+]1CCN(CCCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000075654429 441545987 /nfs/dbraw/zinc/54/59/87/441545987.db2.gz XAOZXSXTPXVXKB-CMDGGOBGSA-N 1 1 346.431 1.752 20 5 EDBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000109846553 441509943 /nfs/dbraw/zinc/50/99/43/441509943.db2.gz RTKQDARQOQTSGV-UHFFFAOYSA-N 1 1 335.408 1.696 20 5 EDBDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000054394981 441575635 /nfs/dbraw/zinc/57/56/35/441575635.db2.gz SDGFYOAIQYXMHK-CYBMUJFWSA-N 1 1 335.360 1.611 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000076295128 441623522 /nfs/dbraw/zinc/62/35/22/441623522.db2.gz MVFTZIQTPDJNER-ZDUSSCGKSA-N 1 1 349.387 1.927 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000076295128 441623523 /nfs/dbraw/zinc/62/35/23/441623523.db2.gz MVFTZIQTPDJNER-ZDUSSCGKSA-N 1 1 349.387 1.927 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2ccccc2[C@H]1CO ZINC000090559401 441634265 /nfs/dbraw/zinc/63/42/65/441634265.db2.gz DABNKAPZCAEZPK-MRXNPFEDSA-N 1 1 329.356 1.348 20 5 EDBDMO Cc1c(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000067782126 441679266 /nfs/dbraw/zinc/67/92/66/441679266.db2.gz XXRJVSJLMBTTRW-CYBMUJFWSA-N 1 1 348.403 1.688 20 5 EDBDMO C[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000068103480 441731954 /nfs/dbraw/zinc/73/19/54/441731954.db2.gz GJQJQFZTYIVSCY-LLVKDONJSA-N 1 1 331.376 1.933 20 5 EDBDMO CCC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1CCOC ZINC000121714598 441765241 /nfs/dbraw/zinc/76/52/41/441765241.db2.gz INYRPGKFTRSJOS-CQSZACIVSA-N 1 1 325.413 1.224 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000173558504 441791383 /nfs/dbraw/zinc/79/13/83/441791383.db2.gz QVHTYKHXJPRJLH-UHFFFAOYSA-N 1 1 329.784 1.946 20 5 EDBDMO CCC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000121856805 441797031 /nfs/dbraw/zinc/79/70/31/441797031.db2.gz WOUBHNXSMHXGKX-CQSZACIVSA-N 1 1 325.413 1.224 20 5 EDBDMO C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000077523826 441798141 /nfs/dbraw/zinc/79/81/41/441798141.db2.gz SHUPRCLFNJKNDX-UHFFFAOYSA-N 1 1 332.404 1.973 20 5 EDBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173651738 441814331 /nfs/dbraw/zinc/81/43/31/441814331.db2.gz REBHKJTXJIAENB-UHFFFAOYSA-N 1 1 334.420 1.233 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000160793986 441921842 /nfs/dbraw/zinc/92/18/42/441921842.db2.gz ODHDTAHDDTVMKX-OAHLLOKOSA-N 1 1 332.404 1.822 20 5 EDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160401385 441877636 /nfs/dbraw/zinc/87/76/36/441877636.db2.gz SOKNYOLQJZFFDU-ILNGBFOMSA-N 1 1 331.372 1.587 20 5 EDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160401385 441877637 /nfs/dbraw/zinc/87/76/37/441877637.db2.gz SOKNYOLQJZFFDU-ILNGBFOMSA-N 1 1 331.372 1.587 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000069129286 441896054 /nfs/dbraw/zinc/89/60/54/441896054.db2.gz AHAUSQVFYMQMLB-JTQLQIEISA-N 1 1 343.405 1.364 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000069501357 441953358 /nfs/dbraw/zinc/95/33/58/441953358.db2.gz OFSUHJJFAODXJA-LBPRGKRZSA-N 1 1 325.340 1.575 20 5 EDBDMO C[C@H]1C[C@@H](N(C)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000127865089 442230045 /nfs/dbraw/zinc/23/00/45/442230045.db2.gz CPRCREQGBCSNRW-JSGCOSHPSA-N 1 1 349.387 1.727 20 5 EDBDMO Cc1cc[nH+]c(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000153031591 442257230 /nfs/dbraw/zinc/25/72/30/442257230.db2.gz XPGVYZYRMJEFTB-UHFFFAOYSA-N 1 1 341.371 1.724 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000177446067 442342603 /nfs/dbraw/zinc/34/26/03/442342603.db2.gz BVFNBNLQNGNRGN-DZGCQCFKSA-N 1 1 343.387 1.571 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000131686407 442377634 /nfs/dbraw/zinc/37/76/34/442377634.db2.gz XDOMTRIZJIVONJ-CYBMUJFWSA-N 1 1 328.390 1.660 20 5 EDBDMO CC(C)N1CCC[C@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000177734921 442377728 /nfs/dbraw/zinc/37/77/28/442377728.db2.gz RXWRKRXHWXFLJT-ZFWWWQNUSA-N 1 1 347.419 1.875 20 5 EDBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000178679896 442455740 /nfs/dbraw/zinc/45/57/40/442455740.db2.gz XUMUUFQICQTRRQ-BXUZGUMPSA-N 1 1 347.419 1.969 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000178679896 442455742 /nfs/dbraw/zinc/45/57/42/442455742.db2.gz XUMUUFQICQTRRQ-BXUZGUMPSA-N 1 1 347.419 1.969 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000178679896 442455744 /nfs/dbraw/zinc/45/57/44/442455744.db2.gz XUMUUFQICQTRRQ-BXUZGUMPSA-N 1 1 347.419 1.969 20 5 EDBDMO COc1c(F)cc(S(=O)(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000186188211 442480638 /nfs/dbraw/zinc/48/06/38/442480638.db2.gz AALQEXYHRGCVTB-UHFFFAOYSA-N 1 1 347.368 1.069 20 5 EDBDMO COc1c(F)cc(S(=O)(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000186188211 442480642 /nfs/dbraw/zinc/48/06/42/442480642.db2.gz AALQEXYHRGCVTB-UHFFFAOYSA-N 1 1 347.368 1.069 20 5 EDBDMO Cc1c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000192465220 442649650 /nfs/dbraw/zinc/64/96/50/442649650.db2.gz GPPLVSIHMMGSSN-TXEJJXNPSA-N 1 1 348.359 1.753 20 5 EDBDMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1 ZINC000181389724 442694294 /nfs/dbraw/zinc/69/42/94/442694294.db2.gz DRXMLPBHMNVXQR-RRGWEWPQSA-N 1 1 341.371 1.515 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192625523 442669535 /nfs/dbraw/zinc/66/95/35/442669535.db2.gz LYYKZGXGVQVALF-UHFFFAOYSA-N 1 1 325.365 1.302 20 5 EDBDMO C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188743724 442801730 /nfs/dbraw/zinc/80/17/30/442801730.db2.gz CCCHWVKBRJXQLV-VFNNOXKTSA-N 1 1 347.415 1.912 20 5 EDBDMO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000193880641 442804509 /nfs/dbraw/zinc/80/45/09/442804509.db2.gz BJZHEJYFLKZQQR-NSHDSACASA-N 1 1 345.396 1.887 20 5 EDBDMO CC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246822235 442815902 /nfs/dbraw/zinc/81/59/02/442815902.db2.gz NTYSJXMDYPJVND-DLBZAZTESA-N 1 1 348.403 1.425 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000265768657 442913786 /nfs/dbraw/zinc/91/37/86/442913786.db2.gz NTVNKSGGFWZOTF-UHFFFAOYSA-N 1 1 344.375 1.089 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000194744140 442946916 /nfs/dbraw/zinc/94/69/16/442946916.db2.gz REDJIPPHOLGOIG-CYBMUJFWSA-N 1 1 329.360 1.605 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000251437240 443014022 /nfs/dbraw/zinc/01/40/22/443014022.db2.gz CCFBSRPWMYYPMT-NSDHSQQOSA-N 1 1 333.388 1.522 20 5 EDBDMO CC(C)(CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000207781384 443049251 /nfs/dbraw/zinc/04/92/51/443049251.db2.gz BROYPMTZSMNIBE-FPLPWBNLSA-N 1 1 333.388 1.835 20 5 EDBDMO COc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000266211241 443058734 /nfs/dbraw/zinc/05/87/34/443058734.db2.gz YBAWNNXIZHTDQB-GFCCVEGCSA-N 1 1 337.376 1.778 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)O[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000190138824 443063259 /nfs/dbraw/zinc/06/32/59/443063259.db2.gz DXGVWNKSICRURG-AAEUAGOBSA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)O[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000190138824 443063264 /nfs/dbraw/zinc/06/32/64/443063264.db2.gz DXGVWNKSICRURG-AAEUAGOBSA-N 1 1 337.376 1.313 20 5 EDBDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000359973926 319114886 /nfs/dbraw/zinc/11/48/86/319114886.db2.gz MRFBFVAQOPOQOH-ZDUSSCGKSA-N 1 1 331.332 1.420 20 5 EDBDMO COC(=O)[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411901752 319212832 /nfs/dbraw/zinc/21/28/32/319212832.db2.gz HFCJYBYYQJBDRP-ZDUSSCGKSA-N 1 1 337.376 1.010 20 5 EDBDMO COC(=O)[C@H]1CN(C)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000411901752 319212834 /nfs/dbraw/zinc/21/28/34/319212834.db2.gz HFCJYBYYQJBDRP-ZDUSSCGKSA-N 1 1 337.376 1.010 20 5 EDBDMO COC(=O)[C@H]1CN(C)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000411901752 319212836 /nfs/dbraw/zinc/21/28/36/319212836.db2.gz HFCJYBYYQJBDRP-ZDUSSCGKSA-N 1 1 337.376 1.010 20 5 EDBDMO O=C(NCC[N@H+]1CCCOCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412284990 319229845 /nfs/dbraw/zinc/22/98/45/319229845.db2.gz ZMKXOSMENMIQJZ-JKSUJKDBSA-N 1 1 333.388 1.537 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCOCC3)CCOCC2)n1 ZINC000413396352 319266290 /nfs/dbraw/zinc/26/62/90/319266290.db2.gz DUKZCAWYGIGFET-UHFFFAOYSA-N 1 1 336.392 1.592 20 5 EDBDMO CO[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000282379889 443321853 /nfs/dbraw/zinc/32/18/53/443321853.db2.gz OIMJNNRUMYUZOK-WFASDCNBSA-N 1 1 333.388 1.983 20 5 EDBDMO CO[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000282379889 443321858 /nfs/dbraw/zinc/32/18/58/443321858.db2.gz OIMJNNRUMYUZOK-WFASDCNBSA-N 1 1 333.388 1.983 20 5 EDBDMO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)CC1 ZINC000272537705 443355274 /nfs/dbraw/zinc/35/52/74/443355274.db2.gz NMMPDLQVNLPWJM-CQSZACIVSA-N 1 1 348.403 1.152 20 5 EDBDMO COC(=O)c1cc(Oc2ncnc3c2C[N@@H+](C)CC3)ccc1[N+](=O)[O-] ZINC000264763643 443413293 /nfs/dbraw/zinc/41/32/93/443413293.db2.gz IVGPIUQPQPEXCU-UHFFFAOYSA-N 1 1 344.327 1.952 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000264737396 443399139 /nfs/dbraw/zinc/39/91/39/443399139.db2.gz JXQJFJWMUUIAPE-ZDUSSCGKSA-N 1 1 338.433 1.049 20 5 EDBDMO CCc1cc(N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc(C)[nH+]1 ZINC000272826906 443458756 /nfs/dbraw/zinc/45/87/56/443458756.db2.gz GFWFOYNMJNBWDU-HOCLYGCPSA-N 1 1 332.360 1.762 20 5 EDBDMO CCOc1cc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)ccc1[N+](=O)[O-] ZINC000279103222 443514620 /nfs/dbraw/zinc/51/46/20/443514620.db2.gz REVCZMNOEAZVNX-INIZCTEOSA-N 1 1 348.359 1.168 20 5 EDBDMO CCOc1cc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)ccc1[N+](=O)[O-] ZINC000279103222 443514624 /nfs/dbraw/zinc/51/46/24/443514624.db2.gz REVCZMNOEAZVNX-INIZCTEOSA-N 1 1 348.359 1.168 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272219140 443558992 /nfs/dbraw/zinc/55/89/92/443558992.db2.gz KDPYWGISTVGEEA-JTQLQIEISA-N 1 1 335.389 1.814 20 5 EDBDMO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272263941 443572693 /nfs/dbraw/zinc/57/26/93/443572693.db2.gz KNBXBURNQHRZOO-TZMCWYRMSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272263941 443572699 /nfs/dbraw/zinc/57/26/99/443572699.db2.gz KNBXBURNQHRZOO-TZMCWYRMSA-N 1 1 343.387 1.958 20 5 EDBDMO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272263941 443572702 /nfs/dbraw/zinc/57/27/02/443572702.db2.gz KNBXBURNQHRZOO-TZMCWYRMSA-N 1 1 343.387 1.958 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286170280 443660746 /nfs/dbraw/zinc/66/07/46/443660746.db2.gz MJWVSZISWTXFPN-DGCLKSJQSA-N 1 1 334.376 1.285 20 5 EDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000440834682 320082110 /nfs/dbraw/zinc/08/21/10/320082110.db2.gz RXXWMWGKILGDAP-ZDUSSCGKSA-N 1 1 341.433 1.974 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286184020 443664134 /nfs/dbraw/zinc/66/41/34/443664134.db2.gz VBWTZMCHIGZOFM-RISCZKNCSA-N 1 1 329.360 1.568 20 5 EDBDMO COC[C@](C)(O)CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000449382608 320185826 /nfs/dbraw/zinc/18/58/26/320185826.db2.gz CWWLMLGWGBXIPJ-DOTOQJQBSA-N 1 1 348.403 1.795 20 5 EDBDMO CC(C)C[N@H+](Cc1cnn(C)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459595094 320348818 /nfs/dbraw/zinc/34/88/18/320348818.db2.gz QSSPNZVMHSIJEZ-OAHLLOKOSA-N 1 1 336.396 1.044 20 5 EDBDMO CC[N@H+]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286306412 443687265 /nfs/dbraw/zinc/68/72/65/443687265.db2.gz CSCGMVFHMXBVOY-GFCCVEGCSA-N 1 1 336.392 1.568 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000286254678 443677966 /nfs/dbraw/zinc/67/79/66/443677966.db2.gz AVMOXJFAIDMUHS-INIZCTEOSA-N 1 1 329.360 1.337 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298495963 443784065 /nfs/dbraw/zinc/78/40/65/443784065.db2.gz OOXKSCDKSYGYCI-OCCSQVGLSA-N 1 1 339.417 1.808 20 5 EDBDMO CN1CCO[C@H]2CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284956994 443798169 /nfs/dbraw/zinc/79/81/69/443798169.db2.gz XEBZTTAQRTXZND-SJORKVTESA-N 1 1 335.404 1.769 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000292677983 443815937 /nfs/dbraw/zinc/81/59/37/443815937.db2.gz JKIKOVCREPCEID-ZBFHGGJFSA-N 1 1 336.388 1.714 20 5 EDBDMO COC(=O)[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298644832 443827315 /nfs/dbraw/zinc/82/73/15/443827315.db2.gz WYVHZIFJOKHPBU-SNVBAGLBSA-N 1 1 339.348 1.425 20 5 EDBDMO COC(=O)[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298644832 443827321 /nfs/dbraw/zinc/82/73/21/443827321.db2.gz WYVHZIFJOKHPBU-SNVBAGLBSA-N 1 1 339.348 1.425 20 5 EDBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000284985988 443808846 /nfs/dbraw/zinc/80/88/46/443808846.db2.gz YFGPXXQLJHYUPD-CYBMUJFWSA-N 1 1 336.392 1.137 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000298785148 443868657 /nfs/dbraw/zinc/86/86/57/443868657.db2.gz HOFXHNWJAYYXLJ-VXGBXAGGSA-N 1 1 335.360 1.725 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000298785148 443868659 /nfs/dbraw/zinc/86/86/59/443868659.db2.gz HOFXHNWJAYYXLJ-VXGBXAGGSA-N 1 1 335.360 1.725 20 5 EDBDMO Cn1nccc1[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281422130 443906642 /nfs/dbraw/zinc/90/66/42/443906642.db2.gz OSCHDDDWLBATFC-UKRRQHHQSA-N 1 1 334.380 1.113 20 5 EDBDMO COc1ccc(CNC(=O)Cn2c[nH+]c3c2CCCC3)cc1[N+](=O)[O-] ZINC000541759874 320776451 /nfs/dbraw/zinc/77/64/51/320776451.db2.gz WGBYPJNLRCUFQO-UHFFFAOYSA-N 1 1 344.371 1.995 20 5 EDBDMO C[N@H+]1CCC[C@]2(CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293093774 443922479 /nfs/dbraw/zinc/92/24/79/443922479.db2.gz XGNLHINVCPQUSS-WMZOPIPTSA-N 1 1 349.431 1.752 20 5 EDBDMO CN1CCC[C@]2(CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293093774 443922503 /nfs/dbraw/zinc/92/25/03/443922503.db2.gz XGNLHINVCPQUSS-WMZOPIPTSA-N 1 1 349.431 1.752 20 5 EDBDMO CN1CCC[C@]2(CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293093774 443922506 /nfs/dbraw/zinc/92/25/06/443922506.db2.gz XGNLHINVCPQUSS-WMZOPIPTSA-N 1 1 349.431 1.752 20 5 EDBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299172476 443974760 /nfs/dbraw/zinc/97/47/60/443974760.db2.gz YGUGRPJQYDTMMJ-SAHAZLINSA-N 1 1 327.406 1.622 20 5 EDBDMO C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)NC(=O)NC1=O ZINC000289271793 444092573 /nfs/dbraw/zinc/09/25/73/444092573.db2.gz GJHUOFMMGWBYFA-BBRMVZONSA-N 1 1 332.360 1.547 20 5 EDBDMO CCOc1ccc([C@H](C)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000571669344 321396001 /nfs/dbraw/zinc/39/60/01/321396001.db2.gz HTKABMDJMVXAKX-LBPRGKRZSA-N 1 1 336.392 1.076 20 5 EDBDMO CC[N@H+]1CCCC[C@H]1CNc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301242356 444157350 /nfs/dbraw/zinc/15/73/50/444157350.db2.gz KCFVDJQVSLJEKA-LBPRGKRZSA-N 1 1 331.376 1.889 20 5 EDBDMO CN1C(=O)N[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000285941499 444159225 /nfs/dbraw/zinc/15/92/25/444159225.db2.gz MFRVYGNHIWVNGS-OLZOCXBDSA-N 1 1 347.375 1.021 20 5 EDBDMO C[C@]1(C[C@@H]2CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)NC(=O)NC1=O ZINC000289510801 444162260 /nfs/dbraw/zinc/16/22/60/444162260.db2.gz GSOOXDORBURDPE-IINYFYTJSA-N 1 1 338.389 1.609 20 5 EDBDMO CCC[N@H+]1CC[C@@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302138294 444205557 /nfs/dbraw/zinc/20/55/57/444205557.db2.gz NPPTXLHLTCCNTC-NSHDSACASA-N 1 1 342.421 1.386 20 5 EDBDMO C[N@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000301658093 444183728 /nfs/dbraw/zinc/18/37/28/444183728.db2.gz LQUYZUQIGVWDFR-MNOVXSKESA-N 1 1 343.181 1.272 20 5 EDBDMO O=[N+]([O-])c1c(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)nc2sccn21 ZINC000301879530 444195184 /nfs/dbraw/zinc/19/51/84/444195184.db2.gz UVKCZOYVMDIGHT-QWRGUYRKSA-N 1 1 337.405 1.969 20 5 EDBDMO O=[N+]([O-])c1c(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)nc2sccn21 ZINC000301879530 444195188 /nfs/dbraw/zinc/19/51/88/444195188.db2.gz UVKCZOYVMDIGHT-QWRGUYRKSA-N 1 1 337.405 1.969 20 5 EDBDMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000297723833 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BWLRUVUBAATTJN-AWEZNQCLSA-N 1 1 339.367 1.917 20 5 EDBDMO CC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000343751253 444564831 /nfs/dbraw/zinc/56/48/31/444564831.db2.gz BWLRUVUBAATTJN-AWEZNQCLSA-N 1 1 339.367 1.917 20 5 EDBDMO CC(=O)N1CCC(NC(=O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000342291315 444615389 /nfs/dbraw/zinc/61/53/89/444615389.db2.gz CQWDXIJOKQMGAJ-LBPRGKRZSA-N 1 1 348.403 1.373 20 5 EDBDMO COC(=O)CN(C)C(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338362890 444656418 /nfs/dbraw/zinc/65/64/18/444656418.db2.gz QMRPZVLLTKGGES-UHFFFAOYSA-N 1 1 337.376 1.091 20 5 EDBDMO CS[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000342539611 444736910 /nfs/dbraw/zinc/73/69/10/444736910.db2.gz GEPXMJDMJFJEFZ-LSDHHAIUSA-N 1 1 325.434 1.951 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)o2)cc1 ZINC000344026459 444737241 /nfs/dbraw/zinc/73/72/41/444737241.db2.gz JWLVDOSJZIBZDO-IACUBPJLSA-N 1 1 330.344 1.848 20 5 EDBDMO O=C1[C@H]([N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344048895 444749517 /nfs/dbraw/zinc/74/95/17/444749517.db2.gz ZGJDMUGAIOONMU-KSYCFECVSA-N 1 1 331.372 1.403 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](F)(CO)C1 ZINC000338585181 444757621 /nfs/dbraw/zinc/75/76/21/444757621.db2.gz MZHFGQVNYHCTGZ-OAHLLOKOSA-N 1 1 341.339 1.338 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@](F)(CO)C1 ZINC000338585181 444757625 /nfs/dbraw/zinc/75/76/25/444757625.db2.gz MZHFGQVNYHCTGZ-OAHLLOKOSA-N 1 1 341.339 1.338 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344080316 444770141 /nfs/dbraw/zinc/77/01/41/444770141.db2.gz ZAPUDRZKVRBWJH-CORIIIEPSA-N 1 1 349.387 1.635 20 5 EDBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000344126344 444795020 /nfs/dbraw/zinc/79/50/20/444795020.db2.gz HFPVLOBWDLHOMQ-STQMWFEESA-N 1 1 349.387 1.986 20 5 EDBDMO C[C@@H]1C[C@H](CO)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344139167 444803310 /nfs/dbraw/zinc/80/33/10/444803310.db2.gz YQIVHXWRYSFBLG-CHWSQXEVSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H]1C[C@H](CO)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344139167 444803312 /nfs/dbraw/zinc/80/33/12/444803312.db2.gz YQIVHXWRYSFBLG-CHWSQXEVSA-N 1 1 333.388 1.577 20 5 EDBDMO CC[N@H+]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1C ZINC000619154587 450418615 /nfs/dbraw/zinc/41/86/15/450418615.db2.gz LAWJLULYGGIUAX-OAHLLOKOSA-N 1 1 348.447 1.957 20 5 EDBDMO O=C(CC[N@H+]1CCC[C@H]1Cn1ccnn1)Nc1ccccc1[N+](=O)[O-] ZINC000344357935 444916889 /nfs/dbraw/zinc/91/68/89/444916889.db2.gz VEFBBAJCQHAEON-ZDUSSCGKSA-N 1 1 344.375 1.680 20 5 EDBDMO Cc1n[nH]c(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000343061096 445034822 /nfs/dbraw/zinc/03/48/22/445034822.db2.gz CBHZQAQZIKWQPJ-QWHCGFSZSA-N 1 1 329.360 1.454 20 5 EDBDMO C[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000330665322 445087502 /nfs/dbraw/zinc/08/75/02/445087502.db2.gz GXBNSFSWRKCKKF-JTQLQIEISA-N 1 1 326.784 1.823 20 5 EDBDMO CO[C@@H]1C[C@@H](c2nncn2C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000344561338 445060431 /nfs/dbraw/zinc/06/04/31/445060431.db2.gz CKKCHPYOZXBVJE-CABCVRRESA-N 1 1 331.376 1.728 20 5 EDBDMO CO[C@@H]1C[C@@H](c2nncn2C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000344561338 445060432 /nfs/dbraw/zinc/06/04/32/445060432.db2.gz CKKCHPYOZXBVJE-CABCVRRESA-N 1 1 331.376 1.728 20 5 EDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000337399222 445063067 /nfs/dbraw/zinc/06/30/67/445063067.db2.gz GPWQRTCEFOOQNW-SMDDNHRTSA-N 1 1 334.376 1.509 20 5 EDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000330631577 445070712 /nfs/dbraw/zinc/07/07/12/445070712.db2.gz GEBZSOFOLFXSQH-STQMWFEESA-N 1 1 341.433 1.492 20 5 EDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000330631577 445070717 /nfs/dbraw/zinc/07/07/17/445070717.db2.gz GEBZSOFOLFXSQH-STQMWFEESA-N 1 1 341.433 1.492 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[NH+]2CCCCC2)c1 ZINC000351798393 445325450 /nfs/dbraw/zinc/32/54/50/445325450.db2.gz LPXSHWWJFPZPDQ-UHFFFAOYSA-N 1 1 341.433 1.976 20 5 EDBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000362467064 445396701 /nfs/dbraw/zinc/39/67/01/445396701.db2.gz FLNFBTKYAVXRNC-QWHCGFSZSA-N 1 1 337.351 1.717 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000362467064 445396705 /nfs/dbraw/zinc/39/67/05/445396705.db2.gz FLNFBTKYAVXRNC-QWHCGFSZSA-N 1 1 337.351 1.717 20 5 EDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000352013732 445438470 /nfs/dbraw/zinc/43/84/70/445438470.db2.gz KHESCISAJDFQNU-RYUDHWBXSA-N 1 1 349.387 1.460 20 5 EDBDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000362708641 445511412 /nfs/dbraw/zinc/51/14/12/445511412.db2.gz XFWPIHZQHIWAEV-LLVKDONJSA-N 1 1 332.364 1.943 20 5 EDBDMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000349124927 445515754 /nfs/dbraw/zinc/51/57/54/445515754.db2.gz JIHVHSSPVFVXJZ-CQSZACIVSA-N 1 1 343.387 1.912 20 5 EDBDMO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3C[N@@H+](C4CC4)CCO3)c21 ZINC000357322778 445547579 /nfs/dbraw/zinc/54/75/79/445547579.db2.gz IPGVVTJYMMYRBY-GFCCVEGCSA-N 1 1 329.360 1.813 20 5 EDBDMO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3C[N@H+](C4CC4)CCO3)c21 ZINC000357322778 445547582 /nfs/dbraw/zinc/54/75/82/445547582.db2.gz IPGVVTJYMMYRBY-GFCCVEGCSA-N 1 1 329.360 1.813 20 5 EDBDMO Cn1ccnc1[C@H](NC[C@@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000353402707 445592721 /nfs/dbraw/zinc/59/27/21/445592721.db2.gz JNSMPQWDRJHRJV-HZPDHXFCSA-N 1 1 345.403 1.338 20 5 EDBDMO Cn1ccnc1[C@H](NC[C@@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000353402707 445592724 /nfs/dbraw/zinc/59/27/24/445592724.db2.gz JNSMPQWDRJHRJV-HZPDHXFCSA-N 1 1 345.403 1.338 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363056186 445662950 /nfs/dbraw/zinc/66/29/50/445662950.db2.gz ULWSJEAYXRPPJQ-MELADBBJSA-N 1 1 331.372 1.857 20 5 EDBDMO C[NH+](C)CCOC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000356224595 445684402 /nfs/dbraw/zinc/68/44/02/445684402.db2.gz OVOCJJDUVWBZRJ-UHFFFAOYSA-N 1 1 337.376 1.483 20 5 EDBDMO Cn1ccnc1[C@@H]([NH2+]CCCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000353679504 445704716 /nfs/dbraw/zinc/70/47/16/445704716.db2.gz HAHNCAOUCZALKG-HNNXBMFYSA-N 1 1 334.376 1.406 20 5 EDBDMO O=C1[C@H]([N@@H+]2CC[C@@H](n3cccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000361588622 445836672 /nfs/dbraw/zinc/83/66/72/445836672.db2.gz FUXFJMAFMBOHRZ-HZPDHXFCSA-N 1 1 341.371 1.844 20 5 EDBDMO O=C1[C@H]([N@H+]2CC[C@@H](n3cccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000361588622 445836677 /nfs/dbraw/zinc/83/66/77/445836677.db2.gz FUXFJMAFMBOHRZ-HZPDHXFCSA-N 1 1 341.371 1.844 20 5 EDBDMO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361588902 445836835 /nfs/dbraw/zinc/83/68/35/445836835.db2.gz STWDDBVMUOAXKQ-FZMZJTMJSA-N 1 1 348.359 1.617 20 5 EDBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361588902 445836837 /nfs/dbraw/zinc/83/68/37/445836837.db2.gz STWDDBVMUOAXKQ-FZMZJTMJSA-N 1 1 348.359 1.617 20 5 EDBDMO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000372936611 445931438 /nfs/dbraw/zinc/93/14/38/445931438.db2.gz XJFQSCYHSCSUOV-HOTGVXAUSA-N 1 1 333.388 1.574 20 5 EDBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000361799016 445954772 /nfs/dbraw/zinc/95/47/72/445954772.db2.gz LVIBQMDJNHDAPM-NSHDSACASA-N 1 1 344.375 1.281 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000356731285 445973377 /nfs/dbraw/zinc/97/33/77/445973377.db2.gz OUTCBJLMSOTKHM-DOMZBBRYSA-N 1 1 329.360 1.504 20 5 EDBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369269733 446033785 /nfs/dbraw/zinc/03/37/85/446033785.db2.gz XJQNKVHGAIHISC-ZDUSSCGKSA-N 1 1 332.404 1.493 20 5 EDBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369269733 446033789 /nfs/dbraw/zinc/03/37/89/446033789.db2.gz XJQNKVHGAIHISC-ZDUSSCGKSA-N 1 1 332.404 1.493 20 5 EDBDMO NC(=O)C1([NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CCCCC1 ZINC000369328400 446077203 /nfs/dbraw/zinc/07/72/03/446077203.db2.gz CFAOZDYZUTXBKH-UHFFFAOYSA-N 1 1 346.431 1.901 20 5 EDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000366267356 446116946 /nfs/dbraw/zinc/11/69/46/446116946.db2.gz IFPBRFNJTKIRBE-NSHDSACASA-N 1 1 329.353 1.154 20 5 EDBDMO C[N@@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)cc1 ZINC000362143979 446234854 /nfs/dbraw/zinc/23/48/54/446234854.db2.gz YZNQBMKNTJXALY-GOEBONIOSA-N 1 1 347.350 1.492 20 5 EDBDMO C[N@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)cc1 ZINC000362143979 446234858 /nfs/dbraw/zinc/23/48/58/446234858.db2.gz YZNQBMKNTJXALY-GOEBONIOSA-N 1 1 347.350 1.492 20 5 EDBDMO NC(=O)c1ncn([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000370431400 446275706 /nfs/dbraw/zinc/27/57/06/446275706.db2.gz USOORJSGRYWJFG-ZDUSSCGKSA-N 1 1 330.348 1.122 20 5 EDBDMO NC(=O)c1ncn([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000370431400 446275710 /nfs/dbraw/zinc/27/57/10/446275710.db2.gz USOORJSGRYWJFG-ZDUSSCGKSA-N 1 1 330.348 1.122 20 5 EDBDMO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365726845 446317973 /nfs/dbraw/zinc/31/79/73/446317973.db2.gz PHANYKUQLSMZGW-VQHPVUNQSA-N 1 1 329.400 1.632 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365726845 446317976 /nfs/dbraw/zinc/31/79/76/446317976.db2.gz PHANYKUQLSMZGW-VQHPVUNQSA-N 1 1 329.400 1.632 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365726845 446317979 /nfs/dbraw/zinc/31/79/79/446317979.db2.gz PHANYKUQLSMZGW-VQHPVUNQSA-N 1 1 329.400 1.632 20 5 EDBDMO CN1C[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000365844076 446367530 /nfs/dbraw/zinc/36/75/30/446367530.db2.gz GGIASOAMJSYXGR-CQSZACIVSA-N 1 1 334.376 1.415 20 5 EDBDMO CN1C[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000365844076 446367534 /nfs/dbraw/zinc/36/75/34/446367534.db2.gz GGIASOAMJSYXGR-CQSZACIVSA-N 1 1 334.376 1.415 20 5 EDBDMO O=C1[C@H]([N@H+]2CC[C@](O)(C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365853795 446371761 /nfs/dbraw/zinc/37/17/61/446371761.db2.gz DMHOCEPYNCRTKW-NVXWUHKLSA-N 1 1 331.372 1.547 20 5 EDBDMO CC(=O)c1cc(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1[N+](=O)[O-] ZINC000420246529 446430882 /nfs/dbraw/zinc/43/08/82/446430882.db2.gz TUNYJUPDRFKOQC-CQSZACIVSA-N 1 1 346.387 1.198 20 5 EDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411151483 446410401 /nfs/dbraw/zinc/41/04/01/446410401.db2.gz BWIGNNAVUNNJHE-AWEZNQCLSA-N 1 1 334.376 1.476 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000370969783 446547452 /nfs/dbraw/zinc/54/74/52/446547452.db2.gz TXRDGXVITGQKCH-CABCVRRESA-N 1 1 346.387 1.619 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000375232211 446659198 /nfs/dbraw/zinc/65/91/98/446659198.db2.gz DALYDCBPHUSQKR-WCQYABFASA-N 1 1 334.376 1.615 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000375187412 446631514 /nfs/dbraw/zinc/63/15/14/446631514.db2.gz NKHRAKNCYHYOGA-GFCCVEGCSA-N 1 1 339.417 1.890 20 5 EDBDMO CC(C)[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000420586495 446690808 /nfs/dbraw/zinc/69/08/08/446690808.db2.gz ODAVUUBXGGJLKG-OAHLLOKOSA-N 1 1 349.435 1.378 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411849048 446696691 /nfs/dbraw/zinc/69/66/91/446696691.db2.gz NZJHNPHCMRFKFB-RHSMWYFYSA-N 1 1 336.388 1.835 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411849048 446696696 /nfs/dbraw/zinc/69/66/96/446696696.db2.gz NZJHNPHCMRFKFB-RHSMWYFYSA-N 1 1 336.388 1.835 20 5 EDBDMO CN(C[C@H]1CCC[N@@H+]1C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420628064 446709405 /nfs/dbraw/zinc/70/94/05/446709405.db2.gz AHMHHOJNZYZIKY-LLVKDONJSA-N 1 1 327.406 1.529 20 5 EDBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420628064 446709411 /nfs/dbraw/zinc/70/94/11/446709411.db2.gz AHMHHOJNZYZIKY-LLVKDONJSA-N 1 1 327.406 1.529 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411932498 446744279 /nfs/dbraw/zinc/74/42/79/446744279.db2.gz FVCVBGJPRSYXJG-HZPDHXFCSA-N 1 1 329.356 1.564 20 5 EDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411941537 446751057 /nfs/dbraw/zinc/75/10/57/446751057.db2.gz LQDUHZJRHMWLKG-CHWSQXEVSA-N 1 1 348.403 1.640 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]2[C@H]1c1ccccc1 ZINC000371301067 446755253 /nfs/dbraw/zinc/75/52/53/446755253.db2.gz DAGLCBSPNTVDEZ-DVOMOZLQSA-N 1 1 341.371 1.693 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000420761399 446799508 /nfs/dbraw/zinc/79/95/08/446799508.db2.gz HCQDIHHMXIVLTC-GFCCVEGCSA-N 1 1 327.406 1.618 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411955969 446760253 /nfs/dbraw/zinc/76/02/53/446760253.db2.gz QTFIHKKKVOAQDC-ZDUSSCGKSA-N 1 1 348.403 1.642 20 5 EDBDMO C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375391223 446766514 /nfs/dbraw/zinc/76/65/14/446766514.db2.gz KPVPTDFDCASELW-KBPBESRZSA-N 1 1 335.408 1.829 20 5 EDBDMO C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375391223 446766520 /nfs/dbraw/zinc/76/65/20/446766520.db2.gz KPVPTDFDCASELW-KBPBESRZSA-N 1 1 335.408 1.829 20 5 EDBDMO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375391226 446766795 /nfs/dbraw/zinc/76/67/95/446766795.db2.gz KPVPTDFDCASELW-KGLIPLIRSA-N 1 1 335.408 1.829 20 5 EDBDMO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375391226 446766799 /nfs/dbraw/zinc/76/67/99/446766799.db2.gz KPVPTDFDCASELW-KGLIPLIRSA-N 1 1 335.408 1.829 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000412048014 446810720 /nfs/dbraw/zinc/81/07/20/446810720.db2.gz PRAIZPCCRAUMBF-OUCADQQQSA-N 1 1 349.387 1.635 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000412048014 446810726 /nfs/dbraw/zinc/81/07/26/446810726.db2.gz PRAIZPCCRAUMBF-OUCADQQQSA-N 1 1 349.387 1.635 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000368419090 446850398 /nfs/dbraw/zinc/85/03/98/446850398.db2.gz ZYJYWCJJBLGGBC-MGPQQGTHSA-N 1 1 337.424 1.307 20 5 EDBDMO C[C@H]1[C@H](CO)CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000412067539 446828936 /nfs/dbraw/zinc/82/89/36/446828936.db2.gz DTXSBARSWLRTPT-STQMWFEESA-N 1 1 349.387 1.986 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000368419089 446850917 /nfs/dbraw/zinc/85/09/17/446850917.db2.gz ZYJYWCJJBLGGBC-MCIONIFRSA-N 1 1 337.424 1.307 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]21 ZINC000371507041 446900713 /nfs/dbraw/zinc/90/07/13/446900713.db2.gz XHLUHYXDUPFYAF-ZJUUUORDSA-N 1 1 331.419 1.371 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]21 ZINC000371507041 446900716 /nfs/dbraw/zinc/90/07/16/446900716.db2.gz XHLUHYXDUPFYAF-ZJUUUORDSA-N 1 1 331.419 1.371 20 5 EDBDMO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000412267106 446916445 /nfs/dbraw/zinc/91/64/45/446916445.db2.gz FSMCEUOEBDENET-VBNZEHGJSA-N 1 1 333.388 1.223 20 5 EDBDMO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000412267106 446916451 /nfs/dbraw/zinc/91/64/51/446916451.db2.gz FSMCEUOEBDENET-VBNZEHGJSA-N 1 1 333.388 1.223 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000420988899 446967709 /nfs/dbraw/zinc/96/77/09/446967709.db2.gz BDQFZRCFKAZXHQ-UONOGXRCSA-N 1 1 336.388 1.714 20 5 EDBDMO Cc1nn(CCC(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000368658576 447012261 /nfs/dbraw/zinc/01/22/61/447012261.db2.gz MDXXJNUBZPAKMF-SWLSCSKDSA-N 1 1 349.435 1.883 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]12CCOC2 ZINC000421019837 446989874 /nfs/dbraw/zinc/98/98/74/446989874.db2.gz MVSYOCWKEQKZJY-INIZCTEOSA-N 1 1 335.360 1.797 20 5 EDBDMO COC(=O)C[C@@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOC1 ZINC000444688869 447120887 /nfs/dbraw/zinc/12/08/87/447120887.db2.gz LFBWTICLLPKIIY-HNNXBMFYSA-N 1 1 334.332 1.283 20 5 EDBDMO Cc1cccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000375814641 447073214 /nfs/dbraw/zinc/07/32/14/447073214.db2.gz NIUVQCJJMKOJPH-HUUCEWRRSA-N 1 1 333.388 1.574 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000375818757 447079118 /nfs/dbraw/zinc/07/91/18/447079118.db2.gz WZNMXAZUBMPCNZ-JQHSSLGASA-N 1 1 349.431 1.893 20 5 EDBDMO CN1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000375818757 447079127 /nfs/dbraw/zinc/07/91/27/447079127.db2.gz WZNMXAZUBMPCNZ-JQHSSLGASA-N 1 1 349.431 1.893 20 5 EDBDMO CN1CCC[C@@H]1[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000375818757 447079132 /nfs/dbraw/zinc/07/91/32/447079132.db2.gz WZNMXAZUBMPCNZ-JQHSSLGASA-N 1 1 349.431 1.893 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000444164116 447083412 /nfs/dbraw/zinc/08/34/12/447083412.db2.gz CUDDMXWZPDUIPZ-UHFFFAOYSA-N 1 1 333.385 1.743 20 5 EDBDMO CCOc1cc(CN2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000372811657 447296434 /nfs/dbraw/zinc/29/64/34/447296434.db2.gz IPASUSCGXBBLBF-HNNXBMFYSA-N 1 1 335.404 1.900 20 5 EDBDMO Cc1ccn(Cc2cccc(C[NH+]3CCOCC3)c2)c(=O)c1[N+](=O)[O-] ZINC000421832599 447262518 /nfs/dbraw/zinc/26/25/18/447262518.db2.gz HFXBVYRLTMVOSN-UHFFFAOYSA-N 1 1 343.383 1.945 20 5 EDBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2nnnn2CC2CC2)n1 ZINC000447596741 447279838 /nfs/dbraw/zinc/27/98/38/447279838.db2.gz CPPNQPQMIHTSSF-OLZOCXBDSA-N 1 1 346.395 1.461 20 5 EDBDMO Cc1nc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450406452 447481371 /nfs/dbraw/zinc/48/13/71/447481371.db2.gz HJJJOVPYUWQMOS-LSDHHAIUSA-N 1 1 343.387 1.741 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000555076559 448061721 /nfs/dbraw/zinc/06/17/21/448061721.db2.gz DQLCVIGFARENCW-MNOVXSKESA-N 1 1 332.303 1.648 20 5 EDBDMO CC1(C)CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000570737800 448058192 /nfs/dbraw/zinc/05/81/92/448058192.db2.gz RNDPUZCOIZRENP-UHFFFAOYSA-N 1 1 347.419 1.370 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000532015129 448182992 /nfs/dbraw/zinc/18/29/92/448182992.db2.gz UAYHNPPWZRKPPL-NSHDSACASA-N 1 1 342.421 1.384 20 5 EDBDMO CNc1nccc(C(=O)N(C)CCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000557656869 448187165 /nfs/dbraw/zinc/18/71/65/448187165.db2.gz IJJFGQFEPAMDPD-UHFFFAOYSA-N 1 1 332.364 1.699 20 5 EDBDMO CNc1nccc(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000561182072 448233827 /nfs/dbraw/zinc/23/38/27/448233827.db2.gz HGQHYNRSGDTVQW-FRRDWIJNSA-N 1 1 349.435 2.128 20 5 EDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492651581 448243869 /nfs/dbraw/zinc/24/38/69/448243869.db2.gz UMIDKJWNDYIFKD-IDTUSYRASA-N 1 1 346.431 1.750 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000492746853 448277376 /nfs/dbraw/zinc/27/73/76/448277376.db2.gz BWHANFVERPHMOP-BYTACQFHSA-N 1 1 333.388 1.522 20 5 EDBDMO CC(C)NC(=O)NCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000577390357 448286463 /nfs/dbraw/zinc/28/64/63/448286463.db2.gz FHCBRDFPIWJZCI-GFCCVEGCSA-N 1 1 336.396 1.184 20 5 EDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533864289 448426627 /nfs/dbraw/zinc/42/66/27/448426627.db2.gz PHYJIEGIEFIJMI-ZDUSSCGKSA-N 1 1 330.388 1.899 20 5 EDBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000518314191 448663646 /nfs/dbraw/zinc/66/36/46/448663646.db2.gz RWFMAZBCDNTITA-CYBMUJFWSA-N 1 1 348.403 1.757 20 5 EDBDMO CNc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000574011853 448767610 /nfs/dbraw/zinc/76/76/10/448767610.db2.gz HWOJTGCYRGCIFM-CYBMUJFWSA-N 1 1 336.392 1.213 20 5 EDBDMO CN1CC[NH+](CCCn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000592349552 448800511 /nfs/dbraw/zinc/80/05/11/448800511.db2.gz CGCHZIHNZMFMHO-UHFFFAOYSA-N 1 1 347.375 1.049 20 5 EDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)[C@@H]2C1 ZINC000520399129 448890806 /nfs/dbraw/zinc/89/08/06/448890806.db2.gz SKOIKIDQTGANHL-SMDDNHRTSA-N 1 1 347.371 1.532 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592882334 449035311 /nfs/dbraw/zinc/03/53/11/449035311.db2.gz QYMQWDFCYZHGAE-KGLIPLIRSA-N 1 1 343.387 1.404 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H](C)[N@H+]1C ZINC000582379690 449080602 /nfs/dbraw/zinc/08/06/02/449080602.db2.gz WGXIGXURHXPIKC-PHIMTYICSA-N 1 1 335.360 1.531 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H](C)[N@@H+]1C ZINC000582379690 449080605 /nfs/dbraw/zinc/08/06/05/449080605.db2.gz WGXIGXURHXPIKC-PHIMTYICSA-N 1 1 335.360 1.531 20 5 EDBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[NH+](C2CC2)CC1 ZINC000589833874 449064888 /nfs/dbraw/zinc/06/48/88/449064888.db2.gz ZGUGRUWQASAKOK-UHFFFAOYSA-N 1 1 325.315 1.722 20 5 EDBDMO C[C@@H](CO)C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000593085267 449127180 /nfs/dbraw/zinc/12/71/80/449127180.db2.gz SUUKWBRCPWDEFI-ZDUSSCGKSA-N 1 1 347.415 1.824 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590011586 449096559 /nfs/dbraw/zinc/09/65/59/449096559.db2.gz JZTJXDHDWCLDCE-WFASDCNBSA-N 1 1 348.403 1.568 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000590011586 449096564 /nfs/dbraw/zinc/09/65/64/449096564.db2.gz JZTJXDHDWCLDCE-WFASDCNBSA-N 1 1 348.403 1.568 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000590011586 449096568 /nfs/dbraw/zinc/09/65/68/449096568.db2.gz JZTJXDHDWCLDCE-WFASDCNBSA-N 1 1 348.403 1.568 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590012331 449096736 /nfs/dbraw/zinc/09/67/36/449096736.db2.gz RDVYURBWYKIDIO-IINYFYTJSA-N 1 1 338.795 1.823 20 5 EDBDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593596039 449097035 /nfs/dbraw/zinc/09/70/35/449097035.db2.gz MDXHHWUYDPIUCY-LLVKDONJSA-N 1 1 330.410 1.389 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590011735 449097437 /nfs/dbraw/zinc/09/74/37/449097437.db2.gz IJJOOMNJGQMVFL-XJKSGUPXSA-N 1 1 332.404 1.868 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2CN(C)C[C@H]21 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/nfs/dbraw/zinc/16/40/63/449164063.db2.gz CHIMCFXHTSTXJA-BLLLJJGKSA-N 1 1 341.371 1.557 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000590447620 449168568 /nfs/dbraw/zinc/16/85/68/449168568.db2.gz ZLQWVRMNQPXSLQ-BONVTDFDSA-N 1 1 342.355 1.625 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC(C[NH+]2CCOCC2)C1 ZINC000590392218 449145515 /nfs/dbraw/zinc/14/55/15/449145515.db2.gz HMRXFABHDQCFHJ-UHFFFAOYSA-N 1 1 339.779 1.652 20 5 EDBDMO Cc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590399904 449146935 /nfs/dbraw/zinc/14/69/35/449146935.db2.gz QBWXHJYWRQMMNP-HOCLYGCPSA-N 1 1 333.388 1.838 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000590399213 449147158 /nfs/dbraw/zinc/14/71/58/449147158.db2.gz JBWJYVRTEVVKDJ-IRXDYDNUSA-N 1 1 347.415 1.849 20 5 EDBDMO C[NH+]1CCN(CC2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000590399911 449147732 /nfs/dbraw/zinc/14/77/32/449147732.db2.gz MPXZDDMZIZWVOD-UHFFFAOYSA-N 1 1 336.367 1.053 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000590402389 449148857 /nfs/dbraw/zinc/14/88/57/449148857.db2.gz SSYROQZMCXOKTP-RYUDHWBXSA-N 1 1 325.390 1.592 20 5 EDBDMO Cc1cc(C(=O)N2CCC([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000600111628 449196055 /nfs/dbraw/zinc/19/60/55/449196055.db2.gz LCRZNZIUEROACR-UHFFFAOYSA-N 1 1 333.388 1.840 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000604278235 449200367 /nfs/dbraw/zinc/20/03/67/449200367.db2.gz XATPVZOQHLFKBV-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)cc1C ZINC000604278235 449200370 /nfs/dbraw/zinc/20/03/70/449200370.db2.gz XATPVZOQHLFKBV-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000601879017 449202429 /nfs/dbraw/zinc/20/24/29/449202429.db2.gz FKFYLELMOOFMBV-HNNXBMFYSA-N 1 1 343.387 1.490 20 5 EDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000604199737 449190568 /nfs/dbraw/zinc/19/05/68/449190568.db2.gz UEGUJWJOJYUFNS-GFCCVEGCSA-N 1 1 329.360 1.605 20 5 EDBDMO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611273984 449245637 /nfs/dbraw/zinc/24/56/37/449245637.db2.gz SKILCNBMOUWJSZ-GFCCVEGCSA-N 1 1 336.344 1.894 20 5 EDBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611273984 449245643 /nfs/dbraw/zinc/24/56/43/449245643.db2.gz SKILCNBMOUWJSZ-GFCCVEGCSA-N 1 1 336.344 1.894 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595868579 449220591 /nfs/dbraw/zinc/22/05/91/449220591.db2.gz QLHWCJJLSDNGDB-INIZCTEOSA-N 1 1 335.404 1.634 20 5 EDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000611513814 449317175 /nfs/dbraw/zinc/31/71/75/449317175.db2.gz FPSPGFXYZVIVMT-LBPRGKRZSA-N 1 1 333.344 1.538 20 5 EDBDMO O=C(C[N@@H+]1CCCCC[C@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000594017370 449324817 /nfs/dbraw/zinc/32/48/17/449324817.db2.gz XDZARRGHGDSPIQ-HNNXBMFYSA-N 1 1 333.388 1.721 20 5 EDBDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000593550499 449341057 /nfs/dbraw/zinc/34/10/57/449341057.db2.gz DJBYEHLEXPPKDD-GHMZBOCLSA-N 1 1 328.394 1.093 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000598342300 449357191 /nfs/dbraw/zinc/35/71/91/449357191.db2.gz LZGKZJLNYGQWPN-GFCCVEGCSA-N 1 1 337.376 1.583 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000590874694 449330577 /nfs/dbraw/zinc/33/05/77/449330577.db2.gz CDPRXQISNGDDSA-ZDUSSCGKSA-N 1 1 343.387 1.912 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598453139 449402988 /nfs/dbraw/zinc/40/29/88/449402988.db2.gz PGNAXXNOQIKCBH-OAHLLOKOSA-N 1 1 333.388 1.574 20 5 EDBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000611711430 449390385 /nfs/dbraw/zinc/39/03/85/449390385.db2.gz MUDSGEPYIBJIHS-CYBMUJFWSA-N 1 1 329.360 1.449 20 5 EDBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000594334716 449454127 /nfs/dbraw/zinc/45/41/27/449454127.db2.gz IYLPZIFMGJFOBW-ZDUSSCGKSA-N 1 1 327.344 1.489 20 5 EDBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000594334716 449454129 /nfs/dbraw/zinc/45/41/29/449454129.db2.gz IYLPZIFMGJFOBW-ZDUSSCGKSA-N 1 1 327.344 1.489 20 5 EDBDMO CC(C)C[N@@H+](C)CCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596289538 449458076 /nfs/dbraw/zinc/45/80/76/449458076.db2.gz RDIKBHFGIBJFBB-UHFFFAOYSA-N 1 1 344.437 1.632 20 5 EDBDMO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598603045 449487550 /nfs/dbraw/zinc/48/75/50/449487550.db2.gz FNTIIDAARCGSKQ-LLVKDONJSA-N 1 1 341.433 1.832 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596426504 449497597 /nfs/dbraw/zinc/49/75/97/449497597.db2.gz BBIHYPYZUQHAGY-NWDGAFQWSA-N 1 1 336.392 1.476 20 5 EDBDMO 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349.387 1.275 20 5 EDBDMO O=C(C[N@@H+]1CC[C@@H](C2CC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000378312867 158137262 /nfs/dbraw/zinc/13/72/62/158137262.db2.gz FTXDYBDMCLTIHP-LLVKDONJSA-N 1 1 333.344 1.994 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H](C2CC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000378312867 158137264 /nfs/dbraw/zinc/13/72/64/158137264.db2.gz FTXDYBDMCLTIHP-LLVKDONJSA-N 1 1 333.344 1.994 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(C)CN1CCOCC1 ZINC000123808231 287391466 /nfs/dbraw/zinc/39/14/66/287391466.db2.gz UQVGPRMFMXXFQH-UHFFFAOYSA-N 1 1 325.413 1.082 20 5 EDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000154555499 287646189 /nfs/dbraw/zinc/64/61/89/287646189.db2.gz PJABKQSENONFJO-CQSZACIVSA-N 1 1 335.404 1.754 20 5 EDBDMO Cc1cc(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)c(N)c([N+](=O)[O-])c1 ZINC000275337974 268325723 /nfs/dbraw/zinc/32/57/23/268325723.db2.gz KTUXKYFESOOORB-NSHDSACASA-N 1 1 329.360 1.674 20 5 EDBDMO CN(Cc1nccc(N)n1)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000275553151 268359872 /nfs/dbraw/zinc/35/98/72/268359872.db2.gz GAWMSVQOACAXCQ-HNNXBMFYSA-N 1 1 342.403 1.673 20 5 EDBDMO CCc1nn(C)c(N2CC[NH+]([C@@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000364904550 273777088 /nfs/dbraw/zinc/77/70/88/273777088.db2.gz JFKZWYDRRUMJRA-LLVKDONJSA-N 1 1 325.438 1.518 20 5 EDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283536866 273883600 /nfs/dbraw/zinc/88/36/00/273883600.db2.gz RYJVXASGIXTGBP-VIFPVBQESA-N 1 1 335.339 1.887 20 5 EDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284491312 274221473 /nfs/dbraw/zinc/22/14/73/274221473.db2.gz GJQXLZVEQLOIDD-CJNGLKHVSA-N 1 1 331.376 1.774 20 5 EDBDMO COC(=O)c1cc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000284855714 274360951 /nfs/dbraw/zinc/36/09/51/274360951.db2.gz DXVHWOFMLSFLSO-HUUCEWRRSA-N 1 1 349.387 1.599 20 5 EDBDMO CCOc1cc(C[N@@H+]2CC[C@H]3OCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000284872336 274367671 /nfs/dbraw/zinc/36/76/71/274367671.db2.gz SOFKAAAHZRORQV-JKSUJKDBSA-N 1 1 335.404 1.898 20 5 EDBDMO CCOc1cc(C[N@H+]2CC[C@H]3OCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000284872336 274367673 /nfs/dbraw/zinc/36/76/73/274367673.db2.gz SOFKAAAHZRORQV-JKSUJKDBSA-N 1 1 335.404 1.898 20 5 EDBDMO Cc1ccc(N2CCC[C@@H](C(=O)Nc3c([N+](=O)[O-])cnn3C)C2)[nH+]c1 ZINC000365993576 274748094 /nfs/dbraw/zinc/74/80/94/274748094.db2.gz HRVHCBMKKONBOW-GFCCVEGCSA-N 1 1 344.375 1.887 20 5 EDBDMO CC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000181286502 276192956 /nfs/dbraw/zinc/19/29/56/276192956.db2.gz NLBRVVXGAINAEQ-UHFFFAOYSA-N 1 1 348.403 1.209 20 5 EDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000175087459 276376122 /nfs/dbraw/zinc/37/61/22/276376122.db2.gz OMYZTZSPOMAHSU-ZDUSSCGKSA-N 1 1 341.433 1.974 20 5 EDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000175087459 276376123 /nfs/dbraw/zinc/37/61/23/276376123.db2.gz OMYZTZSPOMAHSU-ZDUSSCGKSA-N 1 1 341.433 1.974 20 5 EDBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193422284 277045392 /nfs/dbraw/zinc/04/53/92/277045392.db2.gz BCHMFYSFSXHJFE-OAHLLOKOSA-N 1 1 333.436 1.783 20 5 EDBDMO C[N@H+]1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000180176626 277165605 /nfs/dbraw/zinc/16/56/05/277165605.db2.gz YNFBDPZFJRCWIV-BBRMVZONSA-N 1 1 329.360 1.353 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000377165772 277389620 /nfs/dbraw/zinc/38/96/20/277389620.db2.gz RFPIVUIVLUUSLS-CJNGLKHVSA-N 1 1 335.404 1.898 20 5 EDBDMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000286818837 288096082 /nfs/dbraw/zinc/09/60/82/288096082.db2.gz QIAGDCUABQQIBH-ZDUSSCGKSA-N 1 1 344.375 1.307 20 5 EDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000186876586 288144841 /nfs/dbraw/zinc/14/48/41/288144841.db2.gz CDULUXDEOBZNCO-CYBMUJFWSA-N 1 1 335.404 1.441 20 5 EDBDMO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261941513 279656843 /nfs/dbraw/zinc/65/68/43/279656843.db2.gz UUVXTRNZNAGWCB-HZMBPMFUSA-N 1 1 345.396 1.920 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1C ZINC000360229176 281015912 /nfs/dbraw/zinc/01/59/12/281015912.db2.gz ZOZLCXVZJFVRBS-LBPRGKRZSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)CC[C@@H]2C)c1C ZINC000360229176 281015913 /nfs/dbraw/zinc/01/59/13/281015913.db2.gz ZOZLCXVZJFVRBS-LBPRGKRZSA-N 1 1 341.433 1.926 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000291821345 289188718 /nfs/dbraw/zinc/18/87/18/289188718.db2.gz FCRHERLKFXMLQV-CQSZACIVSA-N 1 1 343.380 1.450 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH2+][C@H](C(=O)OC)C(C)C ZINC000294986014 303159567 /nfs/dbraw/zinc/15/95/67/303159567.db2.gz PVBFCXGXHOVKBC-LBPRGKRZSA-N 1 1 341.412 1.709 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(C)(C)CO ZINC000295241817 303193195 /nfs/dbraw/zinc/19/31/95/303193195.db2.gz PKTXDSCUZRRSLN-UHFFFAOYSA-N 1 1 339.392 1.882 20 5 EDBDMO COc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000295397214 303213886 /nfs/dbraw/zinc/21/38/86/303213886.db2.gz UGYLJUGKSZQUHS-SNVBAGLBSA-N 1 1 325.340 1.909 20 5 EDBDMO C[C@](O)(CNc1c2c(ccc1[N+](=O)[O-])NCC2)C[NH+]1CCOCC1 ZINC000302883669 303739949 /nfs/dbraw/zinc/73/99/49/303739949.db2.gz LDCZCOOLSIUBNR-INIZCTEOSA-N 1 1 336.392 1.058 20 5 EDBDMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000428534326 305010997 /nfs/dbraw/zinc/01/09/97/305010997.db2.gz OPSXZUZFPBOZLC-ZDUSSCGKSA-N 1 1 330.344 1.742 20 5 EDBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000429768705 305036499 /nfs/dbraw/zinc/03/64/99/305036499.db2.gz QHNXLUACMUKPMV-QLFBSQMISA-N 1 1 338.404 1.817 20 5 EDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000436249537 305155067 /nfs/dbraw/zinc/15/50/67/305155067.db2.gz DTIPMMQZWVOKJE-MRXNPFEDSA-N 1 1 329.356 1.859 20 5 EDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000436249537 305155068 /nfs/dbraw/zinc/15/50/68/305155068.db2.gz DTIPMMQZWVOKJE-MRXNPFEDSA-N 1 1 329.356 1.859 20 5 EDBDMO CN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548717 305352792 /nfs/dbraw/zinc/35/27/92/305352792.db2.gz NWKQAICAVHLAJL-MRXNPFEDSA-N 1 1 346.431 1.548 20 5 EDBDMO CC[C@H]1C[N@@H+](CC)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723727 305364685 /nfs/dbraw/zinc/36/46/85/305364685.db2.gz BCLNQJISTQZKPF-HOCLYGCPSA-N 1 1 337.420 1.751 20 5 EDBDMO CC[C@H]1CN(CC)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723727 305364686 /nfs/dbraw/zinc/36/46/86/305364686.db2.gz BCLNQJISTQZKPF-HOCLYGCPSA-N 1 1 337.420 1.751 20 5 EDBDMO CC[C@H]1CN(CC)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723727 305364687 /nfs/dbraw/zinc/36/46/87/305364687.db2.gz BCLNQJISTQZKPF-HOCLYGCPSA-N 1 1 337.420 1.751 20 5 EDBDMO CC[C@H](C)[NH+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000451966453 305374792 /nfs/dbraw/zinc/37/47/92/305374792.db2.gz FFKQDOHIEFHXCS-ZDUSSCGKSA-N 1 1 341.433 1.841 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000452099513 305382653 /nfs/dbraw/zinc/38/26/53/305382653.db2.gz CGPVRSRUEJODHL-AWEZNQCLSA-N 1 1 341.433 1.839 20 5 EDBDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000452099514 305382668 /nfs/dbraw/zinc/38/26/68/305382668.db2.gz CGPVRSRUEJODHL-CQSZACIVSA-N 1 1 341.433 1.839 20 5 EDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc([N+](=O)[O-])cc1Cl ZINC000452348109 305391071 /nfs/dbraw/zinc/39/10/71/305391071.db2.gz KNKUPUYPLQLZDD-LBPRGKRZSA-N 1 1 341.795 1.825 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000551912660 306167992 /nfs/dbraw/zinc/16/79/92/306167992.db2.gz QIBOMPYRQZQEOA-UHFFFAOYSA-N 1 1 331.332 1.289 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426226290 447402205 /nfs/dbraw/zinc/40/22/05/447402205.db2.gz HCGBOEZBFPOWHT-ZIAGYGMSSA-N 1 1 337.376 1.777 20 5 EDBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000080375053 441165793 /nfs/dbraw/zinc/16/57/93/441165793.db2.gz OJUZFHHJYOLANS-UHFFFAOYSA-N 1 1 346.343 1.691 20 5 EDBDMO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000081015982 441220682 /nfs/dbraw/zinc/22/06/82/441220682.db2.gz CFTKXPJPSUBALJ-ZDUSSCGKSA-N 1 1 346.387 1.272 20 5 EDBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000063247951 441320194 /nfs/dbraw/zinc/32/01/94/441320194.db2.gz ZKRALEPNIKUSAR-HNNXBMFYSA-N 1 1 336.367 1.477 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000073534700 441322556 /nfs/dbraw/zinc/32/25/56/441322556.db2.gz GEBIZUOJXZDWPE-ZDUSSCGKSA-N 1 1 335.408 1.790 20 5 EDBDMO CC[N@H+]1CCC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000063863561 441359169 /nfs/dbraw/zinc/35/91/69/441359169.db2.gz XWHJLRDPWKFAMH-LLVKDONJSA-N 1 1 342.421 1.386 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C3CC3)CC2)cc1[N+](=O)[O-] 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COXHNCXQSWMGQH-SECBINFHSA-N 1 1 325.321 1.229 20 5 EDBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C[N@H+]1Cc1ccccc1 ZINC000285505016 444009573 /nfs/dbraw/zinc/00/95/73/444009573.db2.gz ASPITJAPFOGZJV-WCQYABFASA-N 1 1 329.360 1.711 20 5 EDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000293596649 444065574 /nfs/dbraw/zinc/06/55/74/444065574.db2.gz GPTALLNMYREPNM-ZWNOBZJWSA-N 1 1 341.795 1.775 20 5 EDBDMO O=C1CCCN1CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000562688509 321070627 /nfs/dbraw/zinc/07/06/27/321070627.db2.gz SUQMZBUGIYKKSE-UHFFFAOYSA-N 1 1 333.392 1.124 20 5 EDBDMO Cc1nc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc2ccccc12 ZINC000562987525 321085219 /nfs/dbraw/zinc/08/52/19/321085219.db2.gz SAKNRGBQAJOARE-CYBMUJFWSA-N 1 1 342.359 1.194 20 5 EDBDMO Cc1nc(CC[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000299585574 444086511 /nfs/dbraw/zinc/08/65/11/444086511.db2.gz JJPPKKQTIKBMTD-UHFFFAOYSA-N 1 1 333.348 1.789 20 5 EDBDMO Cn1ccnc1[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587365 321393248 /nfs/dbraw/zinc/39/32/48/321393248.db2.gz PUFZIOCEXKEDDB-UONOGXRCSA-N 1 1 346.387 1.558 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@@H+]1CCOC[C@@H]1C ZINC000301249243 444157854 /nfs/dbraw/zinc/15/78/54/444157854.db2.gz RDTLXGSHBCMSMP-NEPJUHHUSA-N 1 1 336.392 1.476 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@H+]1CCOC[C@@H]1C ZINC000301249243 444157856 /nfs/dbraw/zinc/15/78/56/444157856.db2.gz RDTLXGSHBCMSMP-NEPJUHHUSA-N 1 1 336.392 1.476 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000289840178 444210002 /nfs/dbraw/zinc/21/00/02/444210002.db2.gz PQAIDAYPQFAFJZ-CQSZACIVSA-N 1 1 335.408 1.525 20 5 EDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+]1CCO ZINC000302390963 444212545 /nfs/dbraw/zinc/21/25/45/444212545.db2.gz IIPIOFPDBHSLSR-JTQLQIEISA-N 1 1 331.319 1.699 20 5 EDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 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SHJCHTMQJNHBTB-LBPRGKRZSA-N 1 1 335.408 1.732 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000331136397 444411233 /nfs/dbraw/zinc/41/12/33/444411233.db2.gz RYZWUKWWGGWSSD-CYBMUJFWSA-N 1 1 341.433 1.784 20 5 EDBDMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331069403 444381797 /nfs/dbraw/zinc/38/17/97/444381797.db2.gz SBVLECUCRVGSIK-GFCCVEGCSA-N 1 1 337.424 1.701 20 5 EDBDMO COc1ccc2c(c1OC)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000340965392 444603202 /nfs/dbraw/zinc/60/32/02/444603202.db2.gz BESWWEZXTNFEFI-UHFFFAOYSA-N 1 1 332.360 1.867 20 5 EDBDMO COc1ccc2c(c1OC)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000340965392 444603205 /nfs/dbraw/zinc/60/32/05/444603205.db2.gz BESWWEZXTNFEFI-UHFFFAOYSA-N 1 1 332.360 1.867 20 5 EDBDMO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C)C1=O ZINC000338332329 444638605 /nfs/dbraw/zinc/63/86/05/444638605.db2.gz KLESISSOZNGEJL-CQSZACIVSA-N 1 1 335.360 1.443 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344021534 444732377 /nfs/dbraw/zinc/73/23/77/444732377.db2.gz HAXNZEMTQBBLOO-NLZNIHBBSA-N 1 1 349.387 1.633 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344021534 444732382 /nfs/dbraw/zinc/73/23/82/444732382.db2.gz HAXNZEMTQBBLOO-NLZNIHBBSA-N 1 1 349.387 1.633 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000344034168 444740825 /nfs/dbraw/zinc/74/08/25/444740825.db2.gz GPMHRXSMVXMBKH-RBOXIYTFSA-N 1 1 349.387 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000344034168 444740829 /nfs/dbraw/zinc/74/08/29/444740829.db2.gz GPMHRXSMVXMBKH-RBOXIYTFSA-N 1 1 349.387 1.635 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000344034445 444740885 /nfs/dbraw/zinc/74/08/85/444740885.db2.gz DZQUBOQFSQGWIL-ITDIGPHOSA-N 1 1 335.360 1.245 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000344034445 444740887 /nfs/dbraw/zinc/74/08/87/444740887.db2.gz DZQUBOQFSQGWIL-ITDIGPHOSA-N 1 1 335.360 1.245 20 5 EDBDMO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344139168 444803025 /nfs/dbraw/zinc/80/30/25/444803025.db2.gz YQIVHXWRYSFBLG-OLZOCXBDSA-N 1 1 333.388 1.577 20 5 EDBDMO C[C@@H]1C[C@@H](CO)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344139168 444803028 /nfs/dbraw/zinc/80/30/28/444803028.db2.gz YQIVHXWRYSFBLG-OLZOCXBDSA-N 1 1 333.388 1.577 20 5 EDBDMO COc1cc(C[NH2+]Cc2cnc(C)[nH]c2=O)c([N+](=O)[O-])cc1OC ZINC000344309308 444893491 /nfs/dbraw/zinc/89/34/91/444893491.db2.gz SWIHOEKMIXLSAD-UHFFFAOYSA-N 1 1 334.332 1.706 20 5 EDBDMO NC(=O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339134920 445049804 /nfs/dbraw/zinc/04/98/04/445049804.db2.gz AHOBMVYUXRUOLA-GXTWGEPZSA-N 1 1 337.376 1.064 20 5 EDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000330786185 445140234 /nfs/dbraw/zinc/14/02/34/445140234.db2.gz MWDUSRUACUXFLB-VIFPVBQESA-N 1 1 329.303 1.972 20 5 EDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000330786185 445140240 /nfs/dbraw/zinc/14/02/40/445140240.db2.gz MWDUSRUACUXFLB-VIFPVBQESA-N 1 1 329.303 1.972 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000339855197 445174420 /nfs/dbraw/zinc/17/44/20/445174420.db2.gz MVZSZAPRLAIISX-ABAIWWIYSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000339855197 445174424 /nfs/dbraw/zinc/17/44/24/445174424.db2.gz MVZSZAPRLAIISX-ABAIWWIYSA-N 1 1 337.376 1.635 20 5 EDBDMO Cc1nn(C)c(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346174327 445207301 /nfs/dbraw/zinc/20/73/01/445207301.db2.gz YDVPZCLERFKSHE-NTZNESFSSA-N 1 1 335.408 1.439 20 5 EDBDMO C[C@@H]1[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343483377 445231497 /nfs/dbraw/zinc/23/14/97/445231497.db2.gz DRFZTRLVBUGIHE-OCCSQVGLSA-N 1 1 343.387 1.993 20 5 EDBDMO CNc1c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000348589987 445334304 /nfs/dbraw/zinc/33/43/04/445334304.db2.gz VPVNSFNJWXLIOH-UONOGXRCSA-N 1 1 334.376 1.182 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@]2(CO)CCOC2)cccc1[N+](=O)[O-] ZINC000359833842 445452301 /nfs/dbraw/zinc/45/23/01/445452301.db2.gz NHBCEWHUFKMVJU-MRXNPFEDSA-N 1 1 337.376 1.315 20 5 EDBDMO COCC[C@@](C)(O)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353531611 445644673 /nfs/dbraw/zinc/64/46/73/445644673.db2.gz VSARHWCDHWJVQV-NVXWUHKLSA-N 1 1 348.403 1.795 20 5 EDBDMO COCC[C@](C)(O)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353528065 445643653 /nfs/dbraw/zinc/64/36/53/445643653.db2.gz MJRPLIGABDEFCI-RDJZCZTQSA-N 1 1 348.403 1.795 20 5 EDBDMO CC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000360256028 445659972 /nfs/dbraw/zinc/65/99/72/445659972.db2.gz DPNHFYHWLCSDHU-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO CC[N@H+]1CC[C@H](NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000360256028 445659974 /nfs/dbraw/zinc/65/99/74/445659974.db2.gz DPNHFYHWLCSDHU-LBPRGKRZSA-N 1 1 327.406 1.584 20 5 EDBDMO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000360256027 445659983 /nfs/dbraw/zinc/65/99/83/445659983.db2.gz DPNHFYHWLCSDHU-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO CC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000360256027 445659984 /nfs/dbraw/zinc/65/99/84/445659984.db2.gz DPNHFYHWLCSDHU-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1c(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360285336 445676543 /nfs/dbraw/zinc/67/65/43/445676543.db2.gz KEKGMEJHTDHEHF-OCCSQVGLSA-N 1 1 348.403 1.118 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000363098963 445677529 /nfs/dbraw/zinc/67/75/29/445677529.db2.gz INBGWDMACKDDOQ-MNOVXSKESA-N 1 1 329.360 1.828 20 5 EDBDMO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000363098963 445677535 /nfs/dbraw/zinc/67/75/35/445677535.db2.gz INBGWDMACKDDOQ-MNOVXSKESA-N 1 1 329.360 1.828 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000363098963 445677538 /nfs/dbraw/zinc/67/75/38/445677538.db2.gz INBGWDMACKDDOQ-MNOVXSKESA-N 1 1 329.360 1.828 20 5 EDBDMO Cc1nn(C)c(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000363258331 445744194 /nfs/dbraw/zinc/74/41/94/445744194.db2.gz FQHIRTKAKVPNAN-AVGNSLFASA-N 1 1 333.392 1.193 20 5 EDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@@H+](C)Cc1ccccc1 ZINC000356473276 445809601 /nfs/dbraw/zinc/80/96/01/445809601.db2.gz CMQNNGSHBVCUML-GFCCVEGCSA-N 1 1 331.376 1.579 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000363540769 445850302 /nfs/dbraw/zinc/85/03/02/445850302.db2.gz AYTQWLIBJODGCN-JHJVBQTASA-N 1 1 337.376 1.807 20 5 EDBDMO COCC[NH+]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000358930238 445853904 /nfs/dbraw/zinc/85/39/04/445853904.db2.gz IOJUHKWMJLKFKP-UHFFFAOYSA-N 1 1 336.392 1.106 20 5 EDBDMO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(N)c([N+](=O)[O-])c1 ZINC000369086957 445920189 /nfs/dbraw/zinc/92/01/89/445920189.db2.gz CLEVPOLSRKEWRO-DZGCQCFKSA-N 1 1 348.403 1.157 20 5 EDBDMO Cc1cc(OCC(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000369175582 445971276 /nfs/dbraw/zinc/97/12/76/445971276.db2.gz WVEISVKAIDYZOD-CJNGLKHVSA-N 1 1 333.388 1.835 20 5 EDBDMO O=[N+]([O-])c1cnc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Cl)c1 ZINC000361832331 445988772 /nfs/dbraw/zinc/98/87/72/445988772.db2.gz XNMWGHAUJSDFGB-OLZOCXBDSA-N 1 1 326.784 1.679 20 5 EDBDMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351143066 445999679 /nfs/dbraw/zinc/99/96/79/445999679.db2.gz RHLFTRUFSBOYKV-NSHDSACASA-N 1 1 338.339 1.273 20 5 EDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000356812652 446042744 /nfs/dbraw/zinc/04/27/44/446042744.db2.gz JMKAKLWDNUOEJK-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000356812652 446042751 /nfs/dbraw/zinc/04/27/51/446042751.db2.gz JMKAKLWDNUOEJK-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000369279251 446044692 /nfs/dbraw/zinc/04/46/92/446044692.db2.gz WBGNHVNUBOLHNU-AWEZNQCLSA-N 1 1 346.431 1.802 20 5 EDBDMO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000369279251 446044697 /nfs/dbraw/zinc/04/46/97/446044697.db2.gz WBGNHVNUBOLHNU-AWEZNQCLSA-N 1 1 346.431 1.802 20 5 EDBDMO CC(C)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000351180521 446005643 /nfs/dbraw/zinc/00/56/43/446005643.db2.gz GIGFJXUIKNETHR-UHFFFAOYSA-N 1 1 338.339 1.225 20 5 EDBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000583212249 326028183 /nfs/dbraw/zinc/02/81/83/326028183.db2.gz MHYPLCSEBVASEZ-UHFFFAOYSA-N 1 1 345.315 1.009 20 5 EDBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000369364183 446105447 /nfs/dbraw/zinc/10/54/47/446105447.db2.gz VCTLPNFIQDJORU-JTQLQIEISA-N 1 1 330.348 1.206 20 5 EDBDMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000369407999 446117342 /nfs/dbraw/zinc/11/73/42/446117342.db2.gz JDMXAERAYBSJRJ-OLZOCXBDSA-N 1 1 335.408 1.726 20 5 EDBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C1 ZINC000365353341 446164435 /nfs/dbraw/zinc/16/44/35/446164435.db2.gz JRVHBOFFNLVFCP-ZDUSSCGKSA-N 1 1 338.433 1.508 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000354444140 446207325 /nfs/dbraw/zinc/20/73/25/446207325.db2.gz XOIHAJAQGLIEGE-GXTWGEPZSA-N 1 1 337.424 1.821 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365550765 446251137 /nfs/dbraw/zinc/25/11/37/446251137.db2.gz KLZIAHPAHHMKHI-RCBQFDQVSA-N 1 1 330.388 1.855 20 5 EDBDMO O=C(C[NH2+][C@H](CO)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000359619241 446323410 /nfs/dbraw/zinc/32/34/10/446323410.db2.gz SNJLJBHGAPLIND-CQSZACIVSA-N 1 1 333.319 1.996 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000373770294 446331327 /nfs/dbraw/zinc/33/13/27/446331327.db2.gz XOEQPCKUDCQXEY-UHFFFAOYSA-N 1 1 343.387 2.470 20 5 EDBDMO CCc1noc([C@@]2(O)CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000366859127 446385880 /nfs/dbraw/zinc/38/58/80/446385880.db2.gz ZLJVLZDNYUQULM-CZUORRHYSA-N 1 1 348.359 1.167 20 5 EDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(c2ccccn2)CC1 ZINC000365885424 446387657 /nfs/dbraw/zinc/38/76/57/446387657.db2.gz PPYXBFTYCXMCOB-UHFFFAOYSA-N 1 1 330.392 1.787 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000366865894 446388491 /nfs/dbraw/zinc/38/84/91/446388491.db2.gz FCHVDPBIGVLYPE-OAGGEKHMSA-N 1 1 336.388 1.965 20 5 EDBDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000452842466 446483495 /nfs/dbraw/zinc/48/34/95/446483495.db2.gz IAHUEVXVJYNEIK-HOCLYGCPSA-N 1 1 333.388 1.631 20 5 EDBDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000452842466 446483503 /nfs/dbraw/zinc/48/35/03/446483503.db2.gz IAHUEVXVJYNEIK-HOCLYGCPSA-N 1 1 333.388 1.631 20 5 EDBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000411311358 446485357 /nfs/dbraw/zinc/48/53/57/446485357.db2.gz MNHBDPMIWTYKCC-CYBMUJFWSA-N 1 1 332.360 1.148 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376481966 446524664 /nfs/dbraw/zinc/52/46/64/446524664.db2.gz ORQZHHDCPFVGKJ-QWHCGFSZSA-N 1 1 346.387 1.585 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]21 ZINC000375042849 446537398 /nfs/dbraw/zinc/53/73/98/446537398.db2.gz SUSHAKGHMCVKHL-XOKHGSTOSA-N 1 1 344.415 1.726 20 5 EDBDMO O=C(CCN1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420381046 446556997 /nfs/dbraw/zinc/55/69/97/446556997.db2.gz RQQOKDIINLZBMY-KRWDZBQOSA-N 1 1 332.404 1.999 20 5 EDBDMO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411574486 446611817 /nfs/dbraw/zinc/61/18/17/446611817.db2.gz VOSYRAGXZZJPKK-HNNXBMFYSA-N 1 1 348.403 1.866 20 5 EDBDMO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411574486 446611825 /nfs/dbraw/zinc/61/18/25/446611825.db2.gz VOSYRAGXZZJPKK-HNNXBMFYSA-N 1 1 348.403 1.866 20 5 EDBDMO C[C@@]1(C(N)=O)CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411527413 446584545 /nfs/dbraw/zinc/58/45/45/446584545.db2.gz PZSRDDGHXJKGLA-INIZCTEOSA-N 1 1 334.376 1.653 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000368082052 446629345 /nfs/dbraw/zinc/62/93/45/446629345.db2.gz DZLSXMNTMPGUBO-AVGNSLFASA-N 1 1 346.387 1.298 20 5 EDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000368082052 446629348 /nfs/dbraw/zinc/62/93/48/446629348.db2.gz DZLSXMNTMPGUBO-AVGNSLFASA-N 1 1 346.387 1.298 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619251948 450434688 /nfs/dbraw/zinc/43/46/88/450434688.db2.gz CBULMGAEKBUGMP-HUUCEWRRSA-N 1 1 337.351 1.618 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437851583 446765763 /nfs/dbraw/zinc/76/57/63/446765763.db2.gz LFAGXYLWOAMGGD-CYBMUJFWSA-N 1 1 335.408 1.855 20 5 EDBDMO CC(C)COC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375402611 446776745 /nfs/dbraw/zinc/77/67/45/446776745.db2.gz KCCPZHHSANXVIW-HIFRSBDPSA-N 1 1 326.397 1.462 20 5 EDBDMO CNc1nc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000454983339 447019106 /nfs/dbraw/zinc/01/91/06/447019106.db2.gz AVAVICSPVWMTEN-RYUDHWBXSA-N 1 1 335.408 1.882 20 5 EDBDMO O=C(C[N@@H+]1CCC[C@@H](CCO)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000421025869 446997736 /nfs/dbraw/zinc/99/77/36/446997736.db2.gz ZHKWYDYTPOAGTF-CQSZACIVSA-N 1 1 347.415 1.968 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@](O)(Cc3ccc(F)cc3)C2)c1 ZINC000421031732 447001622 /nfs/dbraw/zinc/00/16/22/447001622.db2.gz YIQZFIYMBOAFBS-MRXNPFEDSA-N 1 1 334.351 1.610 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2Cn2cncn2)c2c(c1)COCO2 ZINC000368686129 447037422 /nfs/dbraw/zinc/03/74/22/447037422.db2.gz UVFKGTVCCDIFOQ-AWEZNQCLSA-N 1 1 345.359 1.717 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2Cn2cncn2)c2c(c1)COCO2 ZINC000368686129 447037427 /nfs/dbraw/zinc/03/74/27/447037427.db2.gz UVFKGTVCCDIFOQ-AWEZNQCLSA-N 1 1 345.359 1.717 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000455158340 447066507 /nfs/dbraw/zinc/06/65/07/447066507.db2.gz FJDJUHOIFUBSLR-CQSZACIVSA-N 1 1 336.392 1.872 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455338016 447112199 /nfs/dbraw/zinc/11/21/99/447112199.db2.gz RYYVUZJGMFNKIM-ZDUSSCGKSA-N 1 1 340.355 1.702 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000375818126 447077437 /nfs/dbraw/zinc/07/74/37/447077437.db2.gz VVFJSSFYTBRLSU-HUUCEWRRSA-N 1 1 332.404 1.752 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(n2cncn2)CC1 ZINC000377473315 447148359 /nfs/dbraw/zinc/14/83/59/447148359.db2.gz DGNDARFYFAWBIF-LBPRGKRZSA-N 1 1 344.375 1.850 20 5 EDBDMO COC(=O)c1cc(C)nc(NCCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000413349650 447157748 /nfs/dbraw/zinc/15/77/48/447157748.db2.gz SSALDUDQNQZMIW-UHFFFAOYSA-N 1 1 336.392 2.371 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3ncsc3C2)c1 ZINC000445853067 447197480 /nfs/dbraw/zinc/19/74/80/447197480.db2.gz BWKJQSSFEBGMLT-GFCCVEGCSA-N 1 1 335.385 1.849 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3ncsc3C2)c1 ZINC000445853067 447197484 /nfs/dbraw/zinc/19/74/84/447197484.db2.gz BWKJQSSFEBGMLT-GFCCVEGCSA-N 1 1 335.385 1.849 20 5 EDBDMO O=C(C[N@@H+]1CC[C@H](c2nnc[nH]2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000425527902 447212602 /nfs/dbraw/zinc/21/26/02/447212602.db2.gz BMIKXWOMFZQZPZ-LBPRGKRZSA-N 1 1 342.359 1.092 20 5 EDBDMO O=C(C[N@H+]1CC[C@H](c2nnc[nH]2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000425527902 447212605 /nfs/dbraw/zinc/21/26/05/447212605.db2.gz BMIKXWOMFZQZPZ-LBPRGKRZSA-N 1 1 342.359 1.092 20 5 EDBDMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000425459420 447172813 /nfs/dbraw/zinc/17/28/13/447172813.db2.gz PBANFPKWXHYDJZ-ZDUSSCGKSA-N 1 1 345.193 1.941 20 5 EDBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000425459420 447172820 /nfs/dbraw/zinc/17/28/20/447172820.db2.gz PBANFPKWXHYDJZ-ZDUSSCGKSA-N 1 1 345.193 1.941 20 5 EDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000421704777 447224851 /nfs/dbraw/zinc/22/48/51/447224851.db2.gz PUDGKUXPOHAJEZ-NSHDSACASA-N 1 1 335.360 1.532 20 5 EDBDMO Cc1c(CNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000458699058 447454855 /nfs/dbraw/zinc/45/48/55/447454855.db2.gz UXGHBGVIZMNWGH-GFCCVEGCSA-N 1 1 336.392 1.111 20 5 EDBDMO Cc1c(CNC(=O)N2CC[N@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000458699058 447454860 /nfs/dbraw/zinc/45/48/60/447454860.db2.gz UXGHBGVIZMNWGH-GFCCVEGCSA-N 1 1 336.392 1.111 20 5 EDBDMO Cc1nn(CCC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000457119172 447524861 /nfs/dbraw/zinc/52/48/61/447524861.db2.gz NFESVAXICJDYCR-AWEZNQCLSA-N 1 1 337.424 1.739 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000416305847 447565459 /nfs/dbraw/zinc/56/54/59/447565459.db2.gz JGOCBGHGXRFZHM-KBPBESRZSA-N 1 1 335.404 1.441 20 5 EDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](C)C1 ZINC000488747886 447850290 /nfs/dbraw/zinc/85/02/90/447850290.db2.gz FZZLGNWLJRKFLN-RWMBFGLXSA-N 1 1 330.392 1.804 20 5 EDBDMO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000479764347 447824121 /nfs/dbraw/zinc/82/41/21/447824121.db2.gz FZKWTUJFSLISJN-LJGSYFOKSA-N 1 1 340.188 1.670 20 5 EDBDMO CC(C)[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC[N@H+]1C ZINC000487120323 447827803 /nfs/dbraw/zinc/82/78/03/447827803.db2.gz VXDKRMYUZACOAH-CYBMUJFWSA-N 1 1 342.421 1.019 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000523352830 447881686 /nfs/dbraw/zinc/88/16/86/447881686.db2.gz DZUYCDCUCXFOET-GFCCVEGCSA-N 1 1 349.387 1.826 20 5 EDBDMO O=C1OCCN1C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000497224031 447978580 /nfs/dbraw/zinc/97/85/80/447978580.db2.gz ZZZZRZVEPUKGBZ-CYBMUJFWSA-N 1 1 335.360 1.748 20 5 EDBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525804795 448028905 /nfs/dbraw/zinc/02/89/05/448028905.db2.gz RDDAAJQLXSHHBF-NSHDSACASA-N 1 1 337.376 1.684 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000491760948 448110282 /nfs/dbraw/zinc/11/02/82/448110282.db2.gz XOTDDNPNNIYZFI-RISCZKNCSA-N 1 1 345.359 1.641 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000491760948 448110288 /nfs/dbraw/zinc/11/02/88/448110288.db2.gz XOTDDNPNNIYZFI-RISCZKNCSA-N 1 1 345.359 1.641 20 5 EDBDMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000526920548 448117462 /nfs/dbraw/zinc/11/74/62/448117462.db2.gz DDOQLAHVODCHRP-SNVBAGLBSA-N 1 1 338.339 1.130 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000571582469 448174903 /nfs/dbraw/zinc/17/49/03/448174903.db2.gz RWBGBSIIZLSMMV-OAHLLOKOSA-N 1 1 346.387 1.520 20 5 EDBDMO COc1ccc(CC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000532080069 448197526 /nfs/dbraw/zinc/19/75/26/448197526.db2.gz INCKKQKTSRUXNZ-RISCZKNCSA-N 1 1 333.388 1.745 20 5 EDBDMO O=C(C[N@H+]1CC[C@H](O)CC12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000577853482 448403364 /nfs/dbraw/zinc/40/33/64/448403364.db2.gz SGVLGWQKGSEAPT-HNNXBMFYSA-N 1 1 345.399 1.863 20 5 EDBDMO O=C(C[N@@H+]1CC[C@H](O)CC12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000577853482 448403369 /nfs/dbraw/zinc/40/33/69/448403369.db2.gz SGVLGWQKGSEAPT-HNNXBMFYSA-N 1 1 345.399 1.863 20 5 EDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516502065 448429595 /nfs/dbraw/zinc/42/95/95/448429595.db2.gz NFNPZVZMYOWGSW-NWDGAFQWSA-N 1 1 333.344 1.680 20 5 EDBDMO CNc1nccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000566440334 448471729 /nfs/dbraw/zinc/47/17/29/448471729.db2.gz DTRPUMZXFYLQQV-DGCLKSJQSA-N 1 1 333.392 1.588 20 5 EDBDMO CNc1nccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000583943542 448467015 /nfs/dbraw/zinc/46/70/15/448467015.db2.gz MWSKBZIKPYKSDW-NWDGAFQWSA-N 1 1 335.408 2.024 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000591735086 448476309 /nfs/dbraw/zinc/47/63/09/448476309.db2.gz QHKRTLAJDRMNIE-GDBMZVCRSA-N 1 1 335.404 1.408 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000591735086 448476313 /nfs/dbraw/zinc/47/63/13/448476313.db2.gz QHKRTLAJDRMNIE-GDBMZVCRSA-N 1 1 335.404 1.408 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000591734004 448476690 /nfs/dbraw/zinc/47/66/90/448476690.db2.gz UHSWPXXFQVXFDX-YOEHRIQHSA-N 1 1 349.431 1.941 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000591734004 448476695 /nfs/dbraw/zinc/47/66/95/448476695.db2.gz UHSWPXXFQVXFDX-YOEHRIQHSA-N 1 1 349.431 1.941 20 5 EDBDMO CC(C)Oc1nc(N[C@H](C)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000578522676 448570204 /nfs/dbraw/zinc/57/02/04/448570204.db2.gz SSCFPVTZHFBJKB-CYBMUJFWSA-N 1 1 337.424 1.825 20 5 EDBDMO C[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000567219769 448639822 /nfs/dbraw/zinc/63/98/22/448639822.db2.gz UVVMWVOXHUUYCZ-LBPRGKRZSA-N 1 1 329.360 1.664 20 5 EDBDMO C[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000567219769 448639827 /nfs/dbraw/zinc/63/98/27/448639827.db2.gz UVVMWVOXHUUYCZ-LBPRGKRZSA-N 1 1 329.360 1.664 20 5 EDBDMO C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000567219768 448640460 /nfs/dbraw/zinc/64/04/60/448640460.db2.gz UVVMWVOXHUUYCZ-GFCCVEGCSA-N 1 1 329.360 1.664 20 5 EDBDMO C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000567219768 448640463 /nfs/dbraw/zinc/64/04/63/448640463.db2.gz UVVMWVOXHUUYCZ-GFCCVEGCSA-N 1 1 329.360 1.664 20 5 EDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000546038461 448816922 /nfs/dbraw/zinc/81/69/22/448816922.db2.gz OXMINZIBGDAKSF-UHFFFAOYSA-N 1 1 336.392 1.709 20 5 EDBDMO CN(CCc1ccccc1[N+](=O)[O-])c1nc(N2CCOCC2)cc[nH+]1 ZINC000588063415 448864840 /nfs/dbraw/zinc/86/48/40/448864840.db2.gz FROKVCMHWBSWEJ-UHFFFAOYSA-N 1 1 343.387 1.900 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@]1(C)CO ZINC000579925975 448909943 /nfs/dbraw/zinc/90/99/43/448909943.db2.gz AMMKKSJKKPSUKN-MRXNPFEDSA-N 1 1 337.376 1.779 20 5 EDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000588976267 448957123 /nfs/dbraw/zinc/95/71/23/448957123.db2.gz NKQQHPQUYHFRQY-SNVBAGLBSA-N 1 1 331.332 1.342 20 5 EDBDMO CCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+](C)C1 ZINC000592832590 449008781 /nfs/dbraw/zinc/00/87/81/449008781.db2.gz UFXOZLYDTCZMFK-CQSZACIVSA-N 1 1 337.424 1.741 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000589510773 449028966 /nfs/dbraw/zinc/02/89/66/449028966.db2.gz SFWMOMLUZBEUFL-CYBMUJFWSA-N 1 1 331.332 1.420 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000589510773 449028970 /nfs/dbraw/zinc/02/89/70/449028970.db2.gz SFWMOMLUZBEUFL-CYBMUJFWSA-N 1 1 331.332 1.420 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590011580 449097089 /nfs/dbraw/zinc/09/70/89/449097089.db2.gz JZTJXDHDWCLDCE-DOMZBBRYSA-N 1 1 348.403 1.568 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590011580 449097093 /nfs/dbraw/zinc/09/70/93/449097093.db2.gz JZTJXDHDWCLDCE-DOMZBBRYSA-N 1 1 348.403 1.568 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590011580 449097097 /nfs/dbraw/zinc/09/70/97/449097097.db2.gz JZTJXDHDWCLDCE-DOMZBBRYSA-N 1 1 348.403 1.568 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590443032 449164307 /nfs/dbraw/zinc/16/43/07/449164307.db2.gz JMJKCTABIYPGRU-WMLDXEAASA-N 1 1 344.415 1.971 20 5 EDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1OC ZINC000590445040 449166062 /nfs/dbraw/zinc/16/60/62/449166062.db2.gz PQJGPLQORINZNY-SMDDNHRTSA-N 1 1 349.387 1.778 20 5 EDBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000590391754 449145724 /nfs/dbraw/zinc/14/57/24/449145724.db2.gz GREHFVWJADDWFT-UHFFFAOYSA-N 1 1 339.779 1.652 20 5 EDBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000590401480 449148549 /nfs/dbraw/zinc/14/85/49/449148549.db2.gz KYHXBNGAPJMXKC-HOTGVXAUSA-N 1 1 333.388 1.459 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593745104 449176885 /nfs/dbraw/zinc/17/68/85/449176885.db2.gz VTIRWKQGWCBWJC-VXGBXAGGSA-N 1 1 339.367 1.190 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593745104 449176893 /nfs/dbraw/zinc/17/68/93/449176893.db2.gz VTIRWKQGWCBWJC-VXGBXAGGSA-N 1 1 339.367 1.190 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595836733 449200157 /nfs/dbraw/zinc/20/01/57/449200157.db2.gz YTSRWZNJYIXMOX-OLZOCXBDSA-N 1 1 349.387 1.900 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595836733 449200160 /nfs/dbraw/zinc/20/01/60/449200160.db2.gz YTSRWZNJYIXMOX-OLZOCXBDSA-N 1 1 349.387 1.900 20 5 EDBDMO COc1ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000595867498 449218964 /nfs/dbraw/zinc/21/89/64/449218964.db2.gz NJSNNZCCHJNDOU-OAHLLOKOSA-N 1 1 335.404 1.634 20 5 EDBDMO COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000595825226 449188656 /nfs/dbraw/zinc/18/86/56/449188656.db2.gz CZHPOQNNPGRXJI-ZDUSSCGKSA-N 1 1 336.392 1.791 20 5 EDBDMO COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000595825226 449188662 /nfs/dbraw/zinc/18/86/62/449188662.db2.gz CZHPOQNNPGRXJI-ZDUSSCGKSA-N 1 1 336.392 1.791 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CF)c2ccc(F)cc2)c1 ZINC000601972758 449254549 /nfs/dbraw/zinc/25/45/49/449254549.db2.gz OROHAISULHYFQS-KGLIPLIRSA-N 1 1 326.303 1.592 20 5 EDBDMO C[C@@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000593389857 449258633 /nfs/dbraw/zinc/25/86/33/449258633.db2.gz VPJMKKJCTSHJKM-DGCLKSJQSA-N 1 1 334.376 1.116 20 5 EDBDMO C[C@@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000593389857 449258635 /nfs/dbraw/zinc/25/86/35/449258635.db2.gz VPJMKKJCTSHJKM-DGCLKSJQSA-N 1 1 334.376 1.116 20 5 EDBDMO COCC[NH+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593465371 449297374 /nfs/dbraw/zinc/29/73/74/449297374.db2.gz QYRALTOZNPCGDC-UHFFFAOYSA-N 1 1 325.340 1.067 20 5 EDBDMO CCOC(=O)CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000594055199 449340675 /nfs/dbraw/zinc/34/06/75/449340675.db2.gz XKVPUUHTFHOAMD-UHFFFAOYSA-N 1 1 337.376 1.857 20 5 EDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600534593 449428419 /nfs/dbraw/zinc/42/84/19/449428419.db2.gz OQTHBUSEBBFXPA-SNVBAGLBSA-N 1 1 347.293 1.410 20 5 EDBDMO CC[N@@H+](CC(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000600540431 449432972 /nfs/dbraw/zinc/43/29/72/449432972.db2.gz HTXHTTWUXQGKSS-KRWDZBQOSA-N 1 1 349.387 1.584 20 5 EDBDMO CCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000596289406 449458485 /nfs/dbraw/zinc/45/84/85/449458485.db2.gz PEDHAYBVAUUWBW-CQSZACIVSA-N 1 1 336.392 1.709 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000596307385 449468033 /nfs/dbraw/zinc/46/80/33/449468033.db2.gz 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COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104896808 595192387 /nfs/dbraw/zinc/19/23/87/595192387.db2.gz FZRYLAMPVUQSGI-GFCCVEGCSA-N 1 1 336.392 1.326 20 5 EDBDMO Cn1cc(COC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000847785241 595483464 /nfs/dbraw/zinc/48/34/64/595483464.db2.gz KMLVGXRJYXOVMN-AWEZNQCLSA-N 1 1 328.344 1.584 20 5 EDBDMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000860148878 595595398 /nfs/dbraw/zinc/59/53/98/595595398.db2.gz JEXFIGSEDHRENU-WCQYABFASA-N 1 1 349.303 1.814 20 5 EDBDMO O=C1OC[C@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]12 ZINC000860166292 595602596 /nfs/dbraw/zinc/60/25/96/595602596.db2.gz XJOCUDAWXDSYMI-BXUZGUMPSA-N 1 1 329.312 1.855 20 5 EDBDMO O=C1OC[C@H]2C[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]12 ZINC000860166292 595602600 /nfs/dbraw/zinc/60/26/00/595602600.db2.gz XJOCUDAWXDSYMI-BXUZGUMPSA-N 1 1 329.312 1.855 20 5 EDBDMO NC(=O)C[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853516515 595779203 /nfs/dbraw/zinc/77/92/03/595779203.db2.gz VLOQDTKAJPZQDX-LLVKDONJSA-N 1 1 330.348 1.008 20 5 EDBDMO NC(=O)C[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853516515 595779206 /nfs/dbraw/zinc/77/92/06/595779206.db2.gz VLOQDTKAJPZQDX-LLVKDONJSA-N 1 1 330.348 1.008 20 5 EDBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)C1=O ZINC000853576918 595810955 /nfs/dbraw/zinc/81/09/55/595810955.db2.gz GWGHMXRQCNHGTP-PSTGCABASA-N 1 1 344.371 1.661 20 5 EDBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CC[C@@H]3C[C@@H]3C2)C1=O ZINC000853576918 595810959 /nfs/dbraw/zinc/81/09/59/595810959.db2.gz GWGHMXRQCNHGTP-PSTGCABASA-N 1 1 344.371 1.661 20 5 EDBDMO CC[NH+]1CCN(c2ccc(C(=O)OCCC[N+](=O)[O-])cc2F)CC1 ZINC000860917727 595835349 /nfs/dbraw/zinc/83/53/49/595835349.db2.gz SCLXPKNLYPSLBR-UHFFFAOYSA-N 1 1 339.367 1.791 20 5 EDBDMO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(F)c1 ZINC000853964819 595936147 /nfs/dbraw/zinc/93/61/47/595936147.db2.gz BHOJTDXYWHXWLV-LBPRGKRZSA-N 1 1 327.331 1.908 20 5 EDBDMO C[C@@]([NH3+])(C(=O)N1CCO[C@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000870892179 596392711 /nfs/dbraw/zinc/39/27/11/596392711.db2.gz PERDCLUHGBELDP-AAEUAGOBSA-N 1 1 347.293 1.558 20 5 EDBDMO C[N@H+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCC1(C)C ZINC000871152640 596480175 /nfs/dbraw/zinc/48/01/75/596480175.db2.gz MEBHGWLQLJGVBG-UHFFFAOYSA-N 1 1 345.403 1.887 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865170645 596498448 /nfs/dbraw/zinc/49/84/48/596498448.db2.gz GUGFTQYGJLXKPL-CYBMUJFWSA-N 1 1 339.367 1.503 20 5 EDBDMO CC(C)[C@@H]1CNCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863546226 596613713 /nfs/dbraw/zinc/61/37/13/596613713.db2.gz GZVIOBAKWYVJOY-HNNXBMFYSA-N 1 1 338.383 1.992 20 5 EDBDMO CC(C)[C@@H]1CNCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863546226 596613715 /nfs/dbraw/zinc/61/37/15/596613715.db2.gz GZVIOBAKWYVJOY-HNNXBMFYSA-N 1 1 338.383 1.992 20 5 EDBDMO C[C@@H]1C[C@H](N(C)C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000867947054 596629434 /nfs/dbraw/zinc/62/94/34/596629434.db2.gz YAERLDNEXKUQAQ-MRRJBJDNSA-N 1 1 334.420 1.710 20 5 EDBDMO COc1cc(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c(F)cc1[N+](=O)[O-] ZINC000865998969 596753141 /nfs/dbraw/zinc/75/31/41/596753141.db2.gz VLLBSNXSVJCFOM-JTQLQIEISA-N 1 1 327.356 2.000 20 5 EDBDMO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872053788 596799834 /nfs/dbraw/zinc/79/98/34/596799834.db2.gz WJYCAPHRYZCNMX-GHMZBOCLSA-N 1 1 345.396 1.809 20 5 EDBDMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000866140857 596801946 /nfs/dbraw/zinc/80/19/46/596801946.db2.gz NVCJIWAYDNTSBC-HNNXBMFYSA-N 1 1 345.403 1.950 20 5 EDBDMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000866140857 596801950 /nfs/dbraw/zinc/80/19/50/596801950.db2.gz NVCJIWAYDNTSBC-HNNXBMFYSA-N 1 1 345.403 1.950 20 5 EDBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000872661919 597017043 /nfs/dbraw/zinc/01/70/43/597017043.db2.gz AMAGLVQPKGDTDY-UONOGXRCSA-N 1 1 325.390 1.452 20 5 EDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000872661919 597017047 /nfs/dbraw/zinc/01/70/47/597017047.db2.gz AMAGLVQPKGDTDY-UONOGXRCSA-N 1 1 325.390 1.452 20 5 EDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000874844433 597196742 /nfs/dbraw/zinc/19/67/42/597196742.db2.gz RYTMDTGOSSSGGA-GJZGRUSLSA-N 1 1 337.351 1.808 20 5 EDBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000881915857 597795841 /nfs/dbraw/zinc/79/58/41/597795841.db2.gz SSDSYLQVJDFKAR-XJKSGUPXSA-N 1 1 333.388 1.833 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000879057701 597805878 /nfs/dbraw/zinc/80/58/78/597805878.db2.gz UOYTZMCQMZWIIN-AWEZNQCLSA-N 1 1 331.376 1.956 20 5 EDBDMO C[N@@H+](CCCOC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000129458756 597876163 /nfs/dbraw/zinc/87/61/63/597876163.db2.gz GQFLPPBYTMLVHP-UHFFFAOYSA-N 1 1 332.360 1.857 20 5 EDBDMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]2C1 ZINC000880310080 597898729 /nfs/dbraw/zinc/89/87/29/597898729.db2.gz PDMGBSIQXPQHJZ-TXEJJXNPSA-N 1 1 330.344 1.646 20 5 EDBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]2C1 ZINC000880310080 597898730 /nfs/dbraw/zinc/89/87/30/597898730.db2.gz PDMGBSIQXPQHJZ-TXEJJXNPSA-N 1 1 330.344 1.646 20 5 EDBDMO CCN1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2CC)ncc1[N+](=O)[O-] ZINC000882958853 598116557 /nfs/dbraw/zinc/11/65/57/598116557.db2.gz MLGGDGYQXLJQBM-STQMWFEESA-N 1 1 349.439 1.397 20 5 EDBDMO CCN1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@H+]2CC)ncc1[N+](=O)[O-] ZINC000882958853 598116559 /nfs/dbraw/zinc/11/65/59/598116559.db2.gz MLGGDGYQXLJQBM-STQMWFEESA-N 1 1 349.439 1.397 20 5 EDBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cn1 ZINC000918663518 697196612 /nfs/dbraw/zinc/19/66/12/697196612.db2.gz XOKKZBJAZUUSRY-UHFFFAOYSA-N 1 1 326.316 1.742 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)C1=COCCC1 ZINC001031572403 697266754 /nfs/dbraw/zinc/26/67/54/697266754.db2.gz AKGSFWMCFMQPMQ-UHFFFAOYSA-N 1 1 331.372 1.837 20 5 EDBDMO Cc1nc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)co1 ZINC001031628173 697367233 /nfs/dbraw/zinc/36/72/33/697367233.db2.gz ZWXBYJGILQCFNY-UHFFFAOYSA-N 1 1 330.344 1.753 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cnn[nH]1 ZINC001034679139 710660329 /nfs/dbraw/zinc/66/03/29/710660329.db2.gz LBHVDVCZEYFIDX-JOCQHMNTSA-N 1 1 344.375 1.544 20 5 EDBDMO C[N@H+]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000097617308 219041832 /nfs/dbraw/zinc/04/18/32/219041832.db2.gz ZFNQEIYYTXKELF-UHFFFAOYSA-N 1 1 329.360 1.558 20 5 EDBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000184211117 530071966 /nfs/dbraw/zinc/07/19/66/530071966.db2.gz ZQEFHIXGXBDEDV-UHFFFAOYSA-N 1 1 340.449 1.802 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102488234 219206997 /nfs/dbraw/zinc/20/69/97/219206997.db2.gz GTINQASLSARNML-CYBMUJFWSA-N 1 1 337.424 1.907 20 5 EDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000066579316 215056617 /nfs/dbraw/zinc/05/66/17/215056617.db2.gz BQKKNLUHFKYRMT-UHFFFAOYSA-N 1 1 347.824 1.965 20 5 EDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000066579316 215056620 /nfs/dbraw/zinc/05/66/20/215056620.db2.gz BQKKNLUHFKYRMT-UHFFFAOYSA-N 1 1 347.824 1.965 20 5 EDBDMO COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000066835942 215085375 /nfs/dbraw/zinc/08/53/75/215085375.db2.gz ZLOWWSWCTXWXKT-RYUDHWBXSA-N 1 1 335.360 1.807 20 5 EDBDMO COC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000066835942 215085377 /nfs/dbraw/zinc/08/53/77/215085377.db2.gz ZLOWWSWCTXWXKT-RYUDHWBXSA-N 1 1 335.360 1.807 20 5 EDBDMO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067379622 215138151 /nfs/dbraw/zinc/13/81/51/215138151.db2.gz DIWITYBDTUNPES-IUODEOHRSA-N 1 1 347.371 1.585 20 5 EDBDMO COC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067379622 215138153 /nfs/dbraw/zinc/13/81/53/215138153.db2.gz DIWITYBDTUNPES-IUODEOHRSA-N 1 1 347.371 1.585 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000562995527 306315021 /nfs/dbraw/zinc/31/50/21/306315021.db2.gz CMUDTPSHLCMDIN-HIFRSBDPSA-N 1 1 332.360 1.725 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000184211492 235334068 /nfs/dbraw/zinc/33/40/68/235334068.db2.gz IPJZXIWISYUSCA-UHFFFAOYSA-N 1 1 349.435 1.444 20 5 EDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000184400440 235388259 /nfs/dbraw/zinc/38/82/59/235388259.db2.gz QSIHWRODWCWNMZ-ZDUSSCGKSA-N 1 1 348.403 1.361 20 5 EDBDMO CNc1ccc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000563515507 306336465 /nfs/dbraw/zinc/33/64/65/306336465.db2.gz YWOAYQPTCSGAOJ-VXGBXAGGSA-N 1 1 336.392 1.164 20 5 EDBDMO CNc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000563515507 306336466 /nfs/dbraw/zinc/33/64/66/306336466.db2.gz YWOAYQPTCSGAOJ-VXGBXAGGSA-N 1 1 336.392 1.164 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000090553946 138279573 /nfs/dbraw/zinc/27/95/73/138279573.db2.gz RCQINCUOVKSFKA-HNNXBMFYSA-N 1 1 328.372 1.943 20 5 EDBDMO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1F ZINC000124614244 138328352 /nfs/dbraw/zinc/32/83/52/138328352.db2.gz XRXDVAKCWDUEKP-PHIMTYICSA-N 1 1 343.380 1.557 20 5 EDBDMO NC(=O)c1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000563811872 306348163 /nfs/dbraw/zinc/34/81/63/306348163.db2.gz WNJAMAUORYQTJS-ZBFHGGJFSA-N 1 1 348.403 1.022 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000189732265 237197836 /nfs/dbraw/zinc/19/78/36/237197836.db2.gz ZABVQLDSRYJSLM-LBPRGKRZSA-N 1 1 344.371 1.282 20 5 EDBDMO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246414475 139107543 /nfs/dbraw/zinc/10/75/43/139107543.db2.gz BTRFBNHGYQDVLI-UONOGXRCSA-N 1 1 347.419 1.877 20 5 EDBDMO C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246414475 139107544 /nfs/dbraw/zinc/10/75/44/139107544.db2.gz BTRFBNHGYQDVLI-UONOGXRCSA-N 1 1 347.419 1.877 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000262057791 139247356 /nfs/dbraw/zinc/24/73/56/139247356.db2.gz QUUUFXRGEGPKON-MRXNPFEDSA-N 1 1 334.420 1.723 20 5 EDBDMO CN(C(=O)C[N@@H+]1CC[C@@H](O)CC12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000420995383 251813373 /nfs/dbraw/zinc/81/33/73/251813373.db2.gz OTFYDUGOHJDYQV-OAHLLOKOSA-N 1 1 333.388 1.937 20 5 EDBDMO CN(C(=O)C[N@H+]1CC[C@@H](O)CC12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000420995383 251813376 /nfs/dbraw/zinc/81/33/76/251813376.db2.gz OTFYDUGOHJDYQV-OAHLLOKOSA-N 1 1 333.388 1.937 20 5 EDBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000360072700 285153233 /nfs/dbraw/zinc/15/32/33/285153233.db2.gz QWQRHVMMMWERAG-UHFFFAOYSA-N 1 1 325.390 1.276 20 5 EDBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000360072700 285153234 /nfs/dbraw/zinc/15/32/34/285153234.db2.gz QWQRHVMMMWERAG-UHFFFAOYSA-N 1 1 325.390 1.276 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000152849590 533138392 /nfs/dbraw/zinc/13/83/92/533138392.db2.gz TYHUDUGZEXGIIZ-VXGBXAGGSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000152849590 533138398 /nfs/dbraw/zinc/13/83/98/533138398.db2.gz TYHUDUGZEXGIIZ-VXGBXAGGSA-N 1 1 337.376 1.777 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000493643033 255217920 /nfs/dbraw/zinc/21/79/20/255217920.db2.gz BLSHFDQTONJJLJ-KFBXHMBNSA-N 1 1 333.388 1.522 20 5 EDBDMO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000496215274 255365568 /nfs/dbraw/zinc/36/55/68/255365568.db2.gz WVIQCNODDXAMHQ-ZDUSSCGKSA-N 1 1 337.380 1.534 20 5 EDBDMO CC[N@H+]1CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000118825978 221190769 /nfs/dbraw/zinc/19/07/69/221190769.db2.gz KJSMKVODQNMLHP-UHFFFAOYSA-N 1 1 336.392 1.570 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154755852 224300582 /nfs/dbraw/zinc/30/05/82/224300582.db2.gz HYWSJSWYJYIYFL-KGLIPLIRSA-N 1 1 335.408 1.433 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOCC23CCCC3)c1 ZINC000270646189 140140424 /nfs/dbraw/zinc/14/04/24/140140424.db2.gz NYIXXZRIYDNFDV-OAHLLOKOSA-N 1 1 336.388 1.980 20 5 EDBDMO C[C@]1(CCCO)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271195464 140254566 /nfs/dbraw/zinc/25/45/66/140254566.db2.gz OJPIMNCTSNJJCQ-NVXWUHKLSA-N 1 1 338.404 1.962 20 5 EDBDMO COc1c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000331504702 141040053 /nfs/dbraw/zinc/04/00/53/141040053.db2.gz OGUYZZIDGIRDBY-ZDUSSCGKSA-N 1 1 349.387 1.398 20 5 EDBDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331971653 141104992 /nfs/dbraw/zinc/10/49/92/141104992.db2.gz URJUUZBQKAGZOJ-AWEZNQCLSA-N 1 1 335.408 1.829 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000332259270 141148403 /nfs/dbraw/zinc/14/84/03/141148403.db2.gz DHGJOBFJXRDXOR-BMIGLBTASA-N 1 1 339.342 1.968 20 5 EDBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332678843 141227893 /nfs/dbraw/zinc/22/78/93/141227893.db2.gz UEEMUSWNUOMBSC-JTQLQIEISA-N 1 1 325.315 1.722 20 5 EDBDMO COc1cc(S(=O)(=O)N2CC[N@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000345313904 143076685 /nfs/dbraw/zinc/07/66/85/143076685.db2.gz UZIYITBPDGOLAL-NSHDSACASA-N 1 1 343.405 1.318 20 5 EDBDMO COc1cc(S(=O)(=O)N2CC[N@@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000345313904 143076686 /nfs/dbraw/zinc/07/66/86/143076686.db2.gz UZIYITBPDGOLAL-NSHDSACASA-N 1 1 343.405 1.318 20 5 EDBDMO CC(C)N1C(=O)N[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000345564613 143106361 /nfs/dbraw/zinc/10/63/61/143106361.db2.gz ZMHAAALVAZTCOF-HZPDHXFCSA-N 1 1 348.403 1.850 20 5 EDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346205710 143178835 /nfs/dbraw/zinc/17/88/35/143178835.db2.gz VHNWLWXIKLGVCZ-LOWVWBTDSA-N 1 1 334.376 1.498 20 5 EDBDMO CNc1c(C(=O)N(C)C[C@H]2C[C@@H](OC)C[N@H+]2C)cccc1[N+](=O)[O-] ZINC000346700409 143234030 /nfs/dbraw/zinc/23/40/30/143234030.db2.gz PSEXBMJHURUGNB-VXGBXAGGSA-N 1 1 336.392 1.428 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347006824 143270485 /nfs/dbraw/zinc/27/04/85/143270485.db2.gz CRXOTMCCLXEOJL-MISXGVKJSA-N 1 1 335.360 1.805 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347006824 143270486 /nfs/dbraw/zinc/27/04/86/143270486.db2.gz CRXOTMCCLXEOJL-MISXGVKJSA-N 1 1 335.360 1.805 20 5 EDBDMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(Cn3cc([N+](=O)[O-])cn3)n1)OC2 ZINC000347343604 143311036 /nfs/dbraw/zinc/31/10/36/143311036.db2.gz SLNDPIBJSPHLJD-SMDDNHRTSA-N 1 1 334.336 1.148 20 5 EDBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(Cn3cc([N+](=O)[O-])cn3)n1)OC2 ZINC000347343604 143311037 /nfs/dbraw/zinc/31/10/37/143311037.db2.gz SLNDPIBJSPHLJD-SMDDNHRTSA-N 1 1 334.336 1.148 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000347369893 143313595 /nfs/dbraw/zinc/31/35/95/143313595.db2.gz UOPUXOZSJIFNJM-AWEZNQCLSA-N 1 1 335.408 1.623 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000351490437 143571666 /nfs/dbraw/zinc/57/16/66/143571666.db2.gz FDDUAAWEPKZZIK-GXSJLCMTSA-N 1 1 338.339 1.271 20 5 EDBDMO C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000357674161 151111334 /nfs/dbraw/zinc/11/13/34/151111334.db2.gz JLZOTBGMNAWYKQ-ZFWWWQNUSA-N 1 1 348.403 1.599 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370044948 155298728 /nfs/dbraw/zinc/29/87/28/155298728.db2.gz IPVCAWSZMUNWML-CYBMUJFWSA-N 1 1 335.408 1.553 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370044948 155298733 /nfs/dbraw/zinc/29/87/33/155298733.db2.gz IPVCAWSZMUNWML-CYBMUJFWSA-N 1 1 335.408 1.553 20 5 EDBDMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357910762 151192421 /nfs/dbraw/zinc/19/24/21/151192421.db2.gz IGSIPXPNXCQQDX-CQSZACIVSA-N 1 1 343.387 1.819 20 5 EDBDMO CNC(=O)[C@H](C)C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000357939428 151203004 /nfs/dbraw/zinc/20/30/04/151203004.db2.gz ZUSNGNGCZZTTCU-RISCZKNCSA-N 1 1 334.376 1.014 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000360655640 152140759 /nfs/dbraw/zinc/14/07/59/152140759.db2.gz ZBALNCNFANLWKN-NEPJUHHUSA-N 1 1 327.406 1.664 20 5 EDBDMO Cc1c([C@@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000360847048 152228163 /nfs/dbraw/zinc/22/81/63/152228163.db2.gz GPJSSPLHTOOWKF-ZFWWWQNUSA-N 1 1 334.380 1.031 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ncccc2C1 ZINC000367830592 154288924 /nfs/dbraw/zinc/28/89/24/154288924.db2.gz HRWFXKFPHPVLAP-AWEZNQCLSA-N 1 1 329.356 1.788 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2ncccc2C1 ZINC000367830592 154288927 /nfs/dbraw/zinc/28/89/27/154288927.db2.gz HRWFXKFPHPVLAP-AWEZNQCLSA-N 1 1 329.356 1.788 20 5 EDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000371986812 156196701 /nfs/dbraw/zinc/19/67/01/156196701.db2.gz KLLUMCFFOQIVLE-IRXDYDNUSA-N 1 1 347.415 1.897 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c2c(c1)COCO2 ZINC000374540028 157322297 /nfs/dbraw/zinc/32/22/97/157322297.db2.gz BPYMGDFMYHBXRN-NSHDSACASA-N 1 1 345.359 1.959 20 5 EDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)c2c(c1)COCO2 ZINC000374540028 157322299 /nfs/dbraw/zinc/32/22/99/157322299.db2.gz BPYMGDFMYHBXRN-NSHDSACASA-N 1 1 345.359 1.959 20 5 EDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000408051144 158250520 /nfs/dbraw/zinc/25/05/20/158250520.db2.gz IIGLLUISTXKCBC-FRRDWIJNSA-N 1 1 335.408 1.806 20 5 EDBDMO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+]1C[C@@H](C)O ZINC000352417912 162171504 /nfs/dbraw/zinc/17/15/04/162171504.db2.gz WBZCUOGPOFWCOM-HIFRSBDPSA-N 1 1 337.420 1.880 20 5 EDBDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000365667656 162362873 /nfs/dbraw/zinc/36/28/73/162362873.db2.gz RGXZEFQMYPWYDT-AWEZNQCLSA-N 1 1 343.387 1.807 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000124024899 287393274 /nfs/dbraw/zinc/39/32/74/287393274.db2.gz LARHOIFFDBSEEJ-PHIMTYICSA-N 1 1 327.406 1.528 20 5 EDBDMO Cc1c(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000122049649 222004412 /nfs/dbraw/zinc/00/44/12/222004412.db2.gz SBARSPYFFGDZLG-ZDUSSCGKSA-N 1 1 334.420 1.517 20 5 EDBDMO Cc1cc(N2CCN(C[C@@H](C)O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000275831981 268375767 /nfs/dbraw/zinc/37/57/67/268375767.db2.gz OMBSSQRDRNMQMI-CYBMUJFWSA-N 1 1 330.388 1.954 20 5 EDBDMO Cc1cc(N2CC[NH+](C[C@@H](C)O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000275831981 268375768 /nfs/dbraw/zinc/37/57/68/268375768.db2.gz OMBSSQRDRNMQMI-CYBMUJFWSA-N 1 1 330.388 1.954 20 5 EDBDMO Nc1nc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000280124924 268916132 /nfs/dbraw/zinc/91/61/32/268916132.db2.gz ATUJFKMOWKXIEW-OKILXGFUSA-N 1 1 340.387 1.535 20 5 EDBDMO CCOCCOCC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276218247 273154034 /nfs/dbraw/zinc/15/40/34/273154034.db2.gz IRBCYTMGDJDUQG-CQSZACIVSA-N 1 1 342.392 1.319 20 5 EDBDMO COc1cc(OCC(=O)NCC[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000280318877 273356306 /nfs/dbraw/zinc/35/63/06/273356306.db2.gz UIOLITKXJISUBY-UHFFFAOYSA-N 1 1 335.360 1.360 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280649588 273381445 /nfs/dbraw/zinc/38/14/45/273381445.db2.gz NLZDQQPTXSIDMO-UHFFFAOYSA-N 1 1 347.774 1.624 20 5 EDBDMO COCC[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000170639377 274030817 /nfs/dbraw/zinc/03/08/17/274030817.db2.gz DKGSWKHEHWDNGW-UHFFFAOYSA-N 1 1 334.376 1.248 20 5 EDBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000284368340 274177654 /nfs/dbraw/zinc/17/76/54/274177654.db2.gz DWDFODXKURSLNM-AWEZNQCLSA-N 1 1 348.403 1.574 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CCO)CC2)c(Br)c1 ZINC000071349541 275035974 /nfs/dbraw/zinc/03/59/74/275035974.db2.gz UHFRTDIIISJNCU-UHFFFAOYSA-N 1 1 344.209 1.862 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](CCO)CC2)c(Br)c1 ZINC000071349541 275035975 /nfs/dbraw/zinc/03/59/75/275035975.db2.gz UHFRTDIIISJNCU-UHFFFAOYSA-N 1 1 344.209 1.862 20 5 EDBDMO CC[N@@H+]1CCO[C@@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000363959292 276390880 /nfs/dbraw/zinc/39/08/80/276390880.db2.gz GSLROAPSLGMBNN-OAHLLOKOSA-N 1 1 334.420 1.438 20 5 EDBDMO CC[N@H+]1CCO[C@@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000363959292 276390881 /nfs/dbraw/zinc/39/08/81/276390881.db2.gz GSLROAPSLGMBNN-OAHLLOKOSA-N 1 1 334.420 1.438 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000174021746 279037007 /nfs/dbraw/zinc/03/70/07/279037007.db2.gz HYEYSANVIRPMFT-ZDUSSCGKSA-N 1 1 341.433 1.866 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000178218157 281012144 /nfs/dbraw/zinc/01/21/44/281012144.db2.gz JKNGBDPCNVEXHV-HNNXBMFYSA-N 1 1 333.436 1.905 20 5 EDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000291696093 289153154 /nfs/dbraw/zinc/15/31/54/289153154.db2.gz DWLAACARAGNVOL-INIZCTEOSA-N 1 1 332.360 1.088 20 5 EDBDMO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccncc1 ZINC000292430383 289345616 /nfs/dbraw/zinc/34/56/16/289345616.db2.gz LRDZWGAPBKJJCM-GJZGRUSLSA-N 1 1 331.376 1.630 20 5 EDBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccncc1 ZINC000292430383 289345618 /nfs/dbraw/zinc/34/56/18/289345618.db2.gz LRDZWGAPBKJJCM-GJZGRUSLSA-N 1 1 331.376 1.630 20 5 EDBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@@H]1c1ccccc1 ZINC000179222208 290213257 /nfs/dbraw/zinc/21/32/57/290213257.db2.gz YCQKUUWEULTMGZ-GJZGRUSLSA-N 1 1 342.355 1.871 20 5 EDBDMO COC(=O)c1cnc(NC[C@H]2CC[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC000420275151 304741672 /nfs/dbraw/zinc/74/16/72/304741672.db2.gz GHERRQWMMYDFGQ-SECBINFHSA-N 1 1 330.291 1.433 20 5 EDBDMO CS(=O)(=O)c1cccc(NC[C@@H]2CC[NH2+]CC2(F)F)c1[N+](=O)[O-] ZINC000420275067 304741733 /nfs/dbraw/zinc/74/17/33/304741733.db2.gz GAWBXXRUGCVGBL-VIFPVBQESA-N 1 1 349.359 1.655 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1C ZINC000109066930 301426318 /nfs/dbraw/zinc/42/63/18/301426318.db2.gz LFLRQBLNNBJCIQ-TXEJJXNPSA-N 1 1 327.406 1.583 20 5 EDBDMO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000420477479 304763596 /nfs/dbraw/zinc/76/35/96/304763596.db2.gz ZRCPHGRUCNUISA-HMKSTLMESA-N 1 1 343.380 1.528 20 5 EDBDMO NC(=O)[C@@]1(O)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294104013 303063457 /nfs/dbraw/zinc/06/34/57/303063457.db2.gz MNOSTGHAEMPPHI-CYBMUJFWSA-N 1 1 347.293 1.426 20 5 EDBDMO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294104013 303063459 /nfs/dbraw/zinc/06/34/59/303063459.db2.gz MNOSTGHAEMPPHI-CYBMUJFWSA-N 1 1 347.293 1.426 20 5 EDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000294107598 303063725 /nfs/dbraw/zinc/06/37/25/303063725.db2.gz KZUWHIMHOXFEMR-KRWDZBQOSA-N 1 1 333.388 1.918 20 5 EDBDMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000294163346 303071569 /nfs/dbraw/zinc/07/15/69/303071569.db2.gz BJKBWQLIJAMUQR-PHIMTYICSA-N 1 1 338.383 1.965 20 5 EDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000294163346 303071572 /nfs/dbraw/zinc/07/15/72/303071572.db2.gz BJKBWQLIJAMUQR-PHIMTYICSA-N 1 1 338.383 1.965 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CCCN(C=O)CC2)cccc1[N+](=O)[O-] ZINC000294307385 303089285 /nfs/dbraw/zinc/08/92/85/303089285.db2.gz VOIMQXXIBWXERI-UHFFFAOYSA-N 1 1 334.376 1.396 20 5 EDBDMO CC(C)(CCC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[N+](=O)[O-] ZINC000294473751 303112531 /nfs/dbraw/zinc/11/25/31/303112531.db2.gz CZFJUQPXADNPEP-MRXNPFEDSA-N 1 1 349.431 1.700 20 5 EDBDMO CN(C)c1ncccc1O[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000295664367 303249297 /nfs/dbraw/zinc/24/92/97/303249297.db2.gz AQWXFPIRSYGEAF-CYBMUJFWSA-N 1 1 346.391 1.406 20 5 EDBDMO C[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000296676807 303330778 /nfs/dbraw/zinc/33/07/78/303330778.db2.gz HPYREJIQTYEREU-HOCLYGCPSA-N 1 1 349.431 1.751 20 5 EDBDMO C[C@@H]1CN(C2CC2)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296676807 303330782 /nfs/dbraw/zinc/33/07/82/303330782.db2.gz HPYREJIQTYEREU-HOCLYGCPSA-N 1 1 349.431 1.751 20 5 EDBDMO C[C@@H]1CN(C2CC2)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296676807 303330785 /nfs/dbraw/zinc/33/07/85/303330785.db2.gz HPYREJIQTYEREU-HOCLYGCPSA-N 1 1 349.431 1.751 20 5 EDBDMO Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000297858794 303457266 /nfs/dbraw/zinc/45/72/66/303457266.db2.gz LSXZZVSIYXEFEK-UHFFFAOYSA-N 1 1 345.359 1.553 20 5 EDBDMO COC[C@H](C)[NH+]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301327611 303672867 /nfs/dbraw/zinc/67/28/67/303672867.db2.gz BVJXEFHUEOSKNQ-NSHDSACASA-N 1 1 327.356 1.899 20 5 EDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301958679 303705088 /nfs/dbraw/zinc/70/50/88/303705088.db2.gz LPJGFAKUNXWVRG-UHFFFAOYSA-N 1 1 348.407 1.432 20 5 EDBDMO C[C@@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1[NH3+] ZINC000430957612 305070710 /nfs/dbraw/zinc/07/07/10/305070710.db2.gz TUYZXOZIWQLZJX-DGCLKSJQSA-N 1 1 334.376 1.562 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000442286947 305228120 /nfs/dbraw/zinc/22/81/20/305228120.db2.gz WDXDQKOWWFYRDL-VXGBXAGGSA-N 1 1 334.376 1.393 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000442286947 305228121 /nfs/dbraw/zinc/22/81/21/305228121.db2.gz WDXDQKOWWFYRDL-VXGBXAGGSA-N 1 1 334.376 1.393 20 5 EDBDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451404457 305344041 /nfs/dbraw/zinc/34/40/41/305344041.db2.gz GKXLRLKGCYKUTQ-FOGDFJRCSA-N 1 1 336.314 1.815 20 5 EDBDMO COCCOC[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545998 305352535 /nfs/dbraw/zinc/35/25/35/305352535.db2.gz IMKDOBWDHJZCDW-RDJZCZTQSA-N 1 1 338.404 1.798 20 5 EDBDMO CO[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000451555782 305353248 /nfs/dbraw/zinc/35/32/48/305353248.db2.gz CEOYJEDBNLUMSS-LRDDRELGSA-N 1 1 333.388 1.841 20 5 EDBDMO CO[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000451555782 305353249 /nfs/dbraw/zinc/35/32/49/305353249.db2.gz CEOYJEDBNLUMSS-LRDDRELGSA-N 1 1 333.388 1.841 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451630451 305357505 /nfs/dbraw/zinc/35/75/05/305357505.db2.gz LQRLSJLAUJKVGW-TYNCELHUSA-N 1 1 348.403 1.566 20 5 EDBDMO Cc1c(CC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cccc1[N+](=O)[O-] ZINC000452363928 305392950 /nfs/dbraw/zinc/39/29/50/305392950.db2.gz AARGADCTBGJGTO-HNNXBMFYSA-N 1 1 335.404 1.409 20 5 EDBDMO CC(C)(NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000551815194 306162653 /nfs/dbraw/zinc/16/26/53/306162653.db2.gz IWFZDAOWZLXXOU-OAHLLOKOSA-N 1 1 332.404 1.336 20 5 EDBDMO COC1(C)CC[NH+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000553152780 306182971 /nfs/dbraw/zinc/18/29/71/306182971.db2.gz IPOWVZNSUDSDCV-AWEZNQCLSA-N 1 1 347.371 1.728 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](CO)[C@H](O)C3)o2)c1 ZINC000554742180 306197279 /nfs/dbraw/zinc/19/72/79/306197279.db2.gz ULINFNQOVSSJEH-UKRRQHHQSA-N 1 1 347.371 1.467 20 5 EDBDMO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554876336 306198894 /nfs/dbraw/zinc/19/88/94/306198894.db2.gz GSOILSVHXBPPCF-JSGCOSHPSA-N 1 1 343.387 1.958 20 5 EDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000456356285 447373447 /nfs/dbraw/zinc/37/34/47/447373447.db2.gz RMWLHQPWFSENEJ-CQSZACIVSA-N 1 1 349.387 1.938 20 5 EDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000456356285 447373450 /nfs/dbraw/zinc/37/34/50/447373450.db2.gz RMWLHQPWFSENEJ-CQSZACIVSA-N 1 1 349.387 1.938 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000044670877 440869264 /nfs/dbraw/zinc/86/92/64/440869264.db2.gz KJADJKUOXSCJPD-CYBMUJFWSA-N 1 1 335.360 1.596 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000046091698 441081492 /nfs/dbraw/zinc/08/14/92/441081492.db2.gz ADSHWCUMPHKLEB-XJKSGUPXSA-N 1 1 336.388 1.835 20 5 EDBDMO NC(=O)c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000047272630 441172367 /nfs/dbraw/zinc/17/23/67/441172367.db2.gz YZBPZHKVVISXHL-UHFFFAOYSA-N 1 1 341.371 1.411 20 5 EDBDMO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000106445318 441344202 /nfs/dbraw/zinc/34/42/02/441344202.db2.gz LCTONYGGPQLTKU-GFCCVEGCSA-N 1 1 342.783 1.676 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000024677488 441317470 /nfs/dbraw/zinc/31/74/70/441317470.db2.gz YYLULQIIXXCDPD-CQSZACIVSA-N 1 1 334.420 1.752 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000024677488 441317471 /nfs/dbraw/zinc/31/74/71/441317471.db2.gz YYLULQIIXXCDPD-CQSZACIVSA-N 1 1 334.420 1.752 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000024677488 441317472 /nfs/dbraw/zinc/31/74/72/441317472.db2.gz YYLULQIIXXCDPD-CQSZACIVSA-N 1 1 334.420 1.752 20 5 EDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000024677488 441317473 /nfs/dbraw/zinc/31/74/73/441317473.db2.gz YYLULQIIXXCDPD-CQSZACIVSA-N 1 1 334.420 1.752 20 5 EDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000074288300 441416111 /nfs/dbraw/zinc/41/61/11/441416111.db2.gz IAPGOVBOIWODQL-RYUDHWBXSA-N 1 1 327.406 1.656 20 5 EDBDMO NC(=O)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000052826559 441477064 /nfs/dbraw/zinc/47/70/64/441477064.db2.gz DWQKYWSRAIRGBC-CQSZACIVSA-N 1 1 337.376 1.064 20 5 EDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cn[nH]c1 ZINC000085824700 441451782 /nfs/dbraw/zinc/45/17/82/441451782.db2.gz SFMLKKHZQBECKS-UHFFFAOYSA-N 1 1 331.332 1.748 20 5 EDBDMO CNC(=O)c1ccc(NCCCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000053560600 441530677 /nfs/dbraw/zinc/53/06/77/441530677.db2.gz NMLIKJBIRKPUTH-UHFFFAOYSA-N 1 1 349.435 1.394 20 5 EDBDMO CCN1CC[NH+](CCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088349469 441504867 /nfs/dbraw/zinc/50/48/67/441504867.db2.gz QZXYDXYOSOYPLM-UHFFFAOYSA-N 1 1 346.431 1.507 20 5 EDBDMO CCOC(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000109849504 441510311 /nfs/dbraw/zinc/51/03/11/441510311.db2.gz USLMAMIILSAQAC-LLVKDONJSA-N 1 1 335.360 1.453 20 5 EDBDMO NC(=O)C1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCCC1 ZINC000088538364 441511099 /nfs/dbraw/zinc/51/10/99/441511099.db2.gz OJYQNFJQERXKBU-UHFFFAOYSA-N 1 1 335.360 1.739 20 5 EDBDMO CCN(C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000066882727 441579696 /nfs/dbraw/zinc/57/96/96/441579696.db2.gz XBQBVJIKKCLNCZ-UHFFFAOYSA-N 1 1 341.433 1.841 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000054838729 441602388 /nfs/dbraw/zinc/60/23/88/441602388.db2.gz MKKYKZPSNANDAH-UHFFFAOYSA-N 1 1 331.376 1.947 20 5 EDBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000076152174 441604197 /nfs/dbraw/zinc/60/41/97/441604197.db2.gz XZWIFAMHLLZRDR-GZBFAFLISA-N 1 1 326.397 1.288 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000091028959 441651710 /nfs/dbraw/zinc/65/17/10/441651710.db2.gz MGNWZZMNTHJVET-UHFFFAOYSA-N 1 1 327.406 1.538 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000091028959 441651714 /nfs/dbraw/zinc/65/17/14/441651714.db2.gz MGNWZZMNTHJVET-UHFFFAOYSA-N 1 1 327.406 1.538 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[NH+](CC3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000055669005 441660267 /nfs/dbraw/zinc/66/02/67/441660267.db2.gz SJFHIJUROHIWSZ-UHFFFAOYSA-N 1 1 347.371 1.549 20 5 EDBDMO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000076844014 441689388 /nfs/dbraw/zinc/68/93/88/441689388.db2.gz UEFBSQZUZOLLRP-UHFFFAOYSA-N 1 1 329.364 1.014 20 5 EDBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000091457273 441703187 /nfs/dbraw/zinc/70/31/87/441703187.db2.gz HODFSCQHLCZJSG-NSHDSACASA-N 1 1 342.421 1.386 20 5 EDBDMO CCC[N@H+]1CC[C@H](CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000091457549 441703412 /nfs/dbraw/zinc/70/34/12/441703412.db2.gz GSBFUAZWSWMVIM-LLVKDONJSA-N 1 1 342.421 1.386 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000041668537 441667035 /nfs/dbraw/zinc/66/70/35/441667035.db2.gz BLIATTNUABXWOX-GFCCVEGCSA-N 1 1 334.376 1.381 20 5 EDBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173413717 441741204 /nfs/dbraw/zinc/74/12/04/441741204.db2.gz QOCDHKTZIVHOCO-SNVBAGLBSA-N 1 1 347.824 1.963 20 5 EDBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173413717 441741208 /nfs/dbraw/zinc/74/12/08/441741208.db2.gz QOCDHKTZIVHOCO-SNVBAGLBSA-N 1 1 347.824 1.963 20 5 EDBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])cn1 ZINC000137217292 441756108 /nfs/dbraw/zinc/75/61/08/441756108.db2.gz FHJBYDARTLMRNQ-UHFFFAOYSA-N 1 1 327.304 1.137 20 5 EDBDMO CCCc1n[nH]c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000068305884 441772389 /nfs/dbraw/zinc/77/23/89/441772389.db2.gz IFSDGDQGJSONHY-NSHDSACASA-N 1 1 335.364 1.896 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000068439714 441799113 /nfs/dbraw/zinc/79/91/13/441799113.db2.gz SSIZYTHONKUUSI-LBPRGKRZSA-N 1 1 337.424 1.726 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](CO)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000138814276 441799354 /nfs/dbraw/zinc/79/93/54/441799354.db2.gz GBAGCAXNQOWFNK-WCQYABFASA-N 1 1 337.376 1.313 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](CO)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000138814276 441799360 /nfs/dbraw/zinc/79/93/60/441799360.db2.gz GBAGCAXNQOWFNK-WCQYABFASA-N 1 1 337.376 1.313 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139119222 441805623 /nfs/dbraw/zinc/80/56/23/441805623.db2.gz DQCNCADJAXCGLG-UHFFFAOYSA-N 1 1 329.784 1.946 20 5 EDBDMO Cc1ccc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000122002699 441826924 /nfs/dbraw/zinc/82/69/24/441826924.db2.gz VOIIMOZYDBYZEA-ZDUSSCGKSA-N 1 1 334.420 1.517 20 5 EDBDMO Cc1cc[nH+]c(N2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)c1 ZINC000160654048 441905977 /nfs/dbraw/zinc/90/59/77/441905977.db2.gz AJJTYGXPCMSPOG-UHFFFAOYSA-N 1 1 339.359 1.668 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+](CCCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000118844172 441906883 /nfs/dbraw/zinc/90/68/83/441906883.db2.gz NSMNHJMBBOTOSA-UHFFFAOYSA-N 1 1 337.376 1.779 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+](CCCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000118844172 441906891 /nfs/dbraw/zinc/90/68/91/441906891.db2.gz NSMNHJMBBOTOSA-UHFFFAOYSA-N 1 1 337.376 1.779 20 5 EDBDMO COc1ccccc1C[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174844609 441974409 /nfs/dbraw/zinc/97/44/09/441974409.db2.gz UISUWFONFHWWGT-UHFFFAOYSA-N 1 1 345.403 1.618 20 5 EDBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000124897088 441965090 /nfs/dbraw/zinc/96/50/90/441965090.db2.gz DIHWXLPSODVTRD-ZDUSSCGKSA-N 1 1 341.433 1.746 20 5 EDBDMO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1cccc(OC)c1 ZINC000176192552 442187435 /nfs/dbraw/zinc/18/74/35/442187435.db2.gz KAMMVHCTDMAMEI-UHFFFAOYSA-N 1 1 347.375 1.761 20 5 EDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1cccc(OC)c1 ZINC000176192552 442187438 /nfs/dbraw/zinc/18/74/38/442187438.db2.gz KAMMVHCTDMAMEI-UHFFFAOYSA-N 1 1 347.375 1.761 20 5 EDBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221272 442194932 /nfs/dbraw/zinc/19/49/32/442194932.db2.gz BWMZIRQXKVXPSA-ZIAGYGMSSA-N 1 1 337.424 1.808 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170738303 442255245 /nfs/dbraw/zinc/25/52/45/442255245.db2.gz OGSDGQHSAFTWFH-CHWSQXEVSA-N 1 1 348.403 1.899 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170738303 442255246 /nfs/dbraw/zinc/25/52/46/442255246.db2.gz OGSDGQHSAFTWFH-CHWSQXEVSA-N 1 1 348.403 1.899 20 5 EDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000170969677 442295068 /nfs/dbraw/zinc/29/50/68/442295068.db2.gz NZVNNPIOMYMUSD-CYBMUJFWSA-N 1 1 343.387 1.852 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177128655 442302322 /nfs/dbraw/zinc/30/23/22/442302322.db2.gz XXUDCVGFOZOVPQ-MWLCHTKSSA-N 1 1 334.332 1.858 20 5 EDBDMO Cc1nn(C)c(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000154135318 442323304 /nfs/dbraw/zinc/32/33/04/442323304.db2.gz XZJKPKHZLULTDD-CYBMUJFWSA-N 1 1 337.424 1.877 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000177496861 442349755 /nfs/dbraw/zinc/34/97/55/442349755.db2.gz MUSJNBIDMZEFRP-QWHCGFSZSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000177496861 442349759 /nfs/dbraw/zinc/34/97/59/442349759.db2.gz MUSJNBIDMZEFRP-QWHCGFSZSA-N 1 1 336.392 1.822 20 5 EDBDMO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000171881221 442387480 /nfs/dbraw/zinc/38/74/80/442387480.db2.gz YXWMZCZSCKKDDM-CYBMUJFWSA-N 1 1 331.376 1.428 20 5 EDBDMO C[N@H+](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCSC1 ZINC000132586921 442396707 /nfs/dbraw/zinc/39/67/07/442396707.db2.gz QERSAYWRXCCQLT-JTQLQIEISA-N 1 1 335.389 1.847 20 5 EDBDMO C[N@@H+](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCSC1 ZINC000132586921 442396710 /nfs/dbraw/zinc/39/67/10/442396710.db2.gz QERSAYWRXCCQLT-JTQLQIEISA-N 1 1 335.389 1.847 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000172982623 442577297 /nfs/dbraw/zinc/57/72/97/442577297.db2.gz APTYQUAXNJIOEZ-CQSZACIVSA-N 1 1 335.404 1.990 20 5 EDBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000180382510 442591395 /nfs/dbraw/zinc/59/13/95/442591395.db2.gz JPVJRXKFQMHKFY-ZDUSSCGKSA-N 1 1 349.387 1.613 20 5 EDBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000180382510 442591400 /nfs/dbraw/zinc/59/14/00/442591400.db2.gz JPVJRXKFQMHKFY-ZDUSSCGKSA-N 1 1 349.387 1.613 20 5 EDBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000173273956 442638510 /nfs/dbraw/zinc/63/85/10/442638510.db2.gz PIMXZOIHTNDJAJ-QWRGUYRKSA-N 1 1 345.396 1.837 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181410920 442695521 /nfs/dbraw/zinc/69/55/21/442695521.db2.gz KRUIYEXLUCVREH-UHFFFAOYSA-N 1 1 347.318 1.504 20 5 EDBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000187931718 442698958 /nfs/dbraw/zinc/69/89/58/442698958.db2.gz DAILSIVPJJDSLB-FZKQIMNGSA-N 1 1 347.415 1.967 20 5 EDBDMO COc1cccc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000192601911 442667201 /nfs/dbraw/zinc/66/72/01/442667201.db2.gz JJJCJDMJHCKPFK-LBPRGKRZSA-N 1 1 337.376 1.302 20 5 EDBDMO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)N1 ZINC000192644246 442672070 /nfs/dbraw/zinc/67/20/70/442672070.db2.gz PDQQTLJMEZJUEE-CQSZACIVSA-N 1 1 338.751 1.422 20 5 EDBDMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)N1 ZINC000192644246 442672073 /nfs/dbraw/zinc/67/20/73/442672073.db2.gz PDQQTLJMEZJUEE-CQSZACIVSA-N 1 1 338.751 1.422 20 5 EDBDMO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000193583312 442756308 /nfs/dbraw/zinc/75/63/08/442756308.db2.gz QYHWJQORSHSSAV-GFCCVEGCSA-N 1 1 340.449 1.660 20 5 EDBDMO C[N@@H+]1C[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]2C1 ZINC000193618496 442759777 /nfs/dbraw/zinc/75/97/77/442759777.db2.gz RVQGHXVDHYWFEA-BETUJISGSA-N 1 1 329.360 1.638 20 5 EDBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000193660865 442765123 /nfs/dbraw/zinc/76/51/23/442765123.db2.gz KEPDGZCWOTZNMO-ISVAXAHUSA-N 1 1 340.767 1.301 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000194046266 442836498 /nfs/dbraw/zinc/83/64/98/442836498.db2.gz FDKLXELVBNTWDK-CQSZACIVSA-N 1 1 348.403 1.234 20 5 EDBDMO CC[N@@H+](CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC1 ZINC000183015606 442865230 /nfs/dbraw/zinc/86/52/30/442865230.db2.gz GIVQGJUNIAQWNE-MRXNPFEDSA-N 1 1 346.387 1.688 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000189372978 442932294 /nfs/dbraw/zinc/93/22/94/442932294.db2.gz NGTXOPTXSQKANQ-LBPRGKRZSA-N 1 1 347.375 1.143 20 5 EDBDMO COc1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc([N+](=O)[O-])c1OC ZINC000265905651 442964073 /nfs/dbraw/zinc/96/40/73/442964073.db2.gz RPNNZOLXJZMHIA-CYBMUJFWSA-N 1 1 349.387 1.922 20 5 EDBDMO COc1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc([N+](=O)[O-])c1OC ZINC000265905651 442964077 /nfs/dbraw/zinc/96/40/77/442964077.db2.gz RPNNZOLXJZMHIA-CYBMUJFWSA-N 1 1 349.387 1.922 20 5 EDBDMO Cc1cc(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000268431202 442986157 /nfs/dbraw/zinc/98/61/57/442986157.db2.gz AQBDBQREBPDPLT-UHFFFAOYSA-N 1 1 348.403 1.139 20 5 EDBDMO CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000249828445 443007466 /nfs/dbraw/zinc/00/74/66/443007466.db2.gz RTAZOLVVZHQGMC-OCCSQVGLSA-N 1 1 348.403 1.770 20 5 EDBDMO CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000249828445 443007469 /nfs/dbraw/zinc/00/74/69/443007469.db2.gz RTAZOLVVZHQGMC-OCCSQVGLSA-N 1 1 348.403 1.770 20 5 EDBDMO CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268528998 443022707 /nfs/dbraw/zinc/02/27/07/443022707.db2.gz HRQFVWXWYQFTEB-MRXNPFEDSA-N 1 1 329.404 1.998 20 5 EDBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268528998 443022708 /nfs/dbraw/zinc/02/27/08/443022708.db2.gz HRQFVWXWYQFTEB-MRXNPFEDSA-N 1 1 329.404 1.998 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268528998 443022712 /nfs/dbraw/zinc/02/27/12/443022712.db2.gz HRQFVWXWYQFTEB-MRXNPFEDSA-N 1 1 329.404 1.998 20 5 EDBDMO COc1ccc(CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000189881792 443023553 /nfs/dbraw/zinc/02/35/53/443023553.db2.gz YGUXNINETRESBP-ZDUSSCGKSA-N 1 1 337.420 1.880 20 5 EDBDMO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](CO)O1 ZINC000190106064 443057845 /nfs/dbraw/zinc/05/78/45/443057845.db2.gz WDUGBARADXKSSF-IUODEOHRSA-N 1 1 347.371 1.874 20 5 EDBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](CO)O1 ZINC000190106064 443057849 /nfs/dbraw/zinc/05/78/49/443057849.db2.gz WDUGBARADXKSSF-IUODEOHRSA-N 1 1 347.371 1.874 20 5 EDBDMO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000268892551 443138961 /nfs/dbraw/zinc/13/89/61/443138961.db2.gz YMBOUWJHCONETR-HNNXBMFYSA-N 1 1 332.404 1.646 20 5 EDBDMO CC(C)c1ccc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000190829567 443190482 /nfs/dbraw/zinc/19/04/82/443190482.db2.gz VETPVEZJSGWNME-ZDUSSCGKSA-N 1 1 335.404 1.857 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000266507480 443150423 /nfs/dbraw/zinc/15/04/23/443150423.db2.gz CMTIGEVTALJAEK-TZMCWYRMSA-N 1 1 334.351 1.781 20 5 EDBDMO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245443174 443228518 /nfs/dbraw/zinc/22/85/18/443228518.db2.gz IPLVDGSFLSHXJQ-CHWSQXEVSA-N 1 1 335.408 1.637 20 5 EDBDMO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245443174 443228523 /nfs/dbraw/zinc/22/85/23/443228523.db2.gz IPLVDGSFLSHXJQ-CHWSQXEVSA-N 1 1 335.408 1.637 20 5 EDBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263713927 443237616 /nfs/dbraw/zinc/23/76/16/443237616.db2.gz NECOMUPBZMCXLE-OAHLLOKOSA-N 1 1 348.403 1.267 20 5 EDBDMO O=C(CC[N@H+](CCO)C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411610665 319188001 /nfs/dbraw/zinc/18/80/01/319188001.db2.gz YIZAANUJQUBTIW-UHFFFAOYSA-N 1 1 337.376 1.397 20 5 EDBDMO CC[N@H+]1CC[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000413849853 319293773 /nfs/dbraw/zinc/29/37/73/319293773.db2.gz YWTQUIWOBJFOEK-GFCCVEGCSA-N 1 1 334.376 1.462 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000282419714 443334115 /nfs/dbraw/zinc/33/41/15/443334115.db2.gz YNZBQAIUAIDIKM-YJBOKZPZSA-N 1 1 349.431 1.672 20 5 EDBDMO Cn1cccc1[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266950303 443300110 /nfs/dbraw/zinc/30/01/10/443300110.db2.gz UCHGYYGVJQTFBR-ZBFHGGJFSA-N 1 1 333.392 1.718 20 5 EDBDMO COCC[N@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000269672487 443390024 /nfs/dbraw/zinc/39/00/24/443390024.db2.gz ZJFXEVOIGPYNIA-UHFFFAOYSA-N 1 1 335.404 1.626 20 5 EDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000264671336 443368158 /nfs/dbraw/zinc/36/81/58/443368158.db2.gz BBNVOJUYYZWNCI-LBPRGKRZSA-N 1 1 331.376 1.052 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272584090 443372312 /nfs/dbraw/zinc/37/23/12/443372312.db2.gz ONWIVGORVPCSHM-ZBFHGGJFSA-N 1 1 346.387 1.553 20 5 EDBDMO C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272895198 443482215 /nfs/dbraw/zinc/48/22/15/443482215.db2.gz IQGCOXVFRQMZPB-RYUDHWBXSA-N 1 1 335.408 1.711 20 5 EDBDMO C[C@H]1COc2ccccc2C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272908606 443486198 /nfs/dbraw/zinc/48/61/98/443486198.db2.gz HCUCMBUHYHGVGY-WFASDCNBSA-N 1 1 332.360 1.435 20 5 EDBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000272794731 443448309 /nfs/dbraw/zinc/44/83/09/443448309.db2.gz KCFBTVIDXMLYCK-AWEZNQCLSA-N 1 1 344.371 1.420 20 5 EDBDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283039861 443504815 /nfs/dbraw/zinc/50/48/15/443504815.db2.gz IHVHLILISATNFL-CQSZACIVSA-N 1 1 344.383 1.968 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272265599 443572516 /nfs/dbraw/zinc/57/25/16/443572516.db2.gz BRLJJSQDHLQGHM-JSGCOSHPSA-N 1 1 339.417 1.618 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272265599 443572520 /nfs/dbraw/zinc/57/25/20/443572520.db2.gz BRLJJSQDHLQGHM-JSGCOSHPSA-N 1 1 339.417 1.618 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000272199963 443555378 /nfs/dbraw/zinc/55/53/78/443555378.db2.gz AJMIJMHJZLWNNB-CHWSQXEVSA-N 1 1 341.433 1.965 20 5 EDBDMO O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000286120780 443649793 /nfs/dbraw/zinc/64/97/93/443649793.db2.gz YIMIXWSSEZGJDR-ZDUSSCGKSA-N 1 1 329.316 1.024 20 5 EDBDMO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000283547737 443658585 /nfs/dbraw/zinc/65/85/85/443658585.db2.gz PQAOQTFIKBDKJB-CQSZACIVSA-N 1 1 328.376 1.675 20 5 EDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000440865686 320084883 /nfs/dbraw/zinc/08/48/83/320084883.db2.gz YFWPIBQONSUCOU-SNVBAGLBSA-N 1 1 331.369 1.497 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000457003881 320316945 /nfs/dbraw/zinc/31/69/45/320316945.db2.gz XOMQONNHCGGQJT-AWEZNQCLSA-N 1 1 329.360 1.273 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000280793395 443744848 /nfs/dbraw/zinc/74/48/48/443744848.db2.gz RJBVQNFBYBCUKG-UHIISALHSA-N 1 1 335.360 1.663 20 5 EDBDMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000280793395 443744850 /nfs/dbraw/zinc/74/48/50/443744850.db2.gz RJBVQNFBYBCUKG-UHIISALHSA-N 1 1 335.360 1.663 20 5 EDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1F ZINC000285300907 443933282 /nfs/dbraw/zinc/93/32/82/443933282.db2.gz PMTWFRVHHHESOS-UONOGXRCSA-N 1 1 337.351 1.587 20 5 EDBDMO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000277323940 443965607 /nfs/dbraw/zinc/96/56/07/443965607.db2.gz VIBVXVDDKGHPRP-MYODQAERSA-N 1 1 339.417 1.766 20 5 EDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000277323940 443965611 /nfs/dbraw/zinc/96/56/11/443965611.db2.gz VIBVXVDDKGHPRP-MYODQAERSA-N 1 1 339.417 1.766 20 5 EDBDMO Cc1n[nH]c(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000299444508 444047542 /nfs/dbraw/zinc/04/75/42/444047542.db2.gz MRPXZYHJPBRSEB-UHFFFAOYSA-N 1 1 343.387 1.974 20 5 EDBDMO Cc1[nH]nc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000299444508 444047545 /nfs/dbraw/zinc/04/75/45/444047545.db2.gz MRPXZYHJPBRSEB-UHFFFAOYSA-N 1 1 343.387 1.974 20 5 EDBDMO Cc1[nH]nc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000299444508 444047550 /nfs/dbraw/zinc/04/75/50/444047550.db2.gz MRPXZYHJPBRSEB-UHFFFAOYSA-N 1 1 343.387 1.974 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000299453593 444050608 /nfs/dbraw/zinc/05/06/08/444050608.db2.gz WWJRSEAWVLCYGZ-BETUJISGSA-N 1 1 348.403 1.701 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000299453593 444050613 /nfs/dbraw/zinc/05/06/13/444050613.db2.gz WWJRSEAWVLCYGZ-BETUJISGSA-N 1 1 348.403 1.701 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293478012 444028408 /nfs/dbraw/zinc/02/84/08/444028408.db2.gz VKOCYUHLGGRNDL-TXEJJXNPSA-N 1 1 348.403 1.701 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293478012 444028412 /nfs/dbraw/zinc/02/84/12/444028412.db2.gz VKOCYUHLGGRNDL-TXEJJXNPSA-N 1 1 348.403 1.701 20 5 EDBDMO C[N@@H+](CCNc1nc2ccccn2c(=O)c1[N+](=O)[O-])C1CCCC1 ZINC000301191604 444152870 /nfs/dbraw/zinc/15/28/70/444152870.db2.gz LVWLZSNFRHBQDS-UHFFFAOYSA-N 1 1 331.376 1.889 20 5 EDBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302632108 444218020 /nfs/dbraw/zinc/21/80/20/444218020.db2.gz JLEAEKXFGXEOKF-LLVKDONJSA-N 1 1 327.406 1.752 20 5 EDBDMO COc1cc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c([N+](=O)[O-])cc1OC ZINC000301868229 444194438 /nfs/dbraw/zinc/19/44/38/444194438.db2.gz CDRSCQHWDPUDFL-LBPRGKRZSA-N 1 1 337.376 1.887 20 5 EDBDMO COc1cc(NC[C@H]2C[N@H+](C3CC3)CCO2)c([N+](=O)[O-])cc1OC ZINC000301868229 444194440 /nfs/dbraw/zinc/19/44/40/444194440.db2.gz CDRSCQHWDPUDFL-LBPRGKRZSA-N 1 1 337.376 1.887 20 5 EDBDMO COc1c(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331034898 444368260 /nfs/dbraw/zinc/36/82/60/444368260.db2.gz AEHFCOIPKHPREV-RYUDHWBXSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1c(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331034898 444368264 /nfs/dbraw/zinc/36/82/64/444368264.db2.gz AEHFCOIPKHPREV-RYUDHWBXSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331043863 444371872 /nfs/dbraw/zinc/37/18/72/444371872.db2.gz DVORWXBZOLLXAT-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331043863 444371876 /nfs/dbraw/zinc/37/18/76/444371876.db2.gz DVORWXBZOLLXAT-NWDGAFQWSA-N 1 1 337.376 1.131 20 5 EDBDMO O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000580929110 322112772 /nfs/dbraw/zinc/11/27/72/322112772.db2.gz DRWCBLWDVIWAPC-WFASDCNBSA-N 1 1 345.403 1.629 20 5 EDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000332218231 444505560 /nfs/dbraw/zinc/50/55/60/444505560.db2.gz LGDDHFHMVLHGRS-JTQLQIEISA-N 1 1 330.344 1.625 20 5 EDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000332218231 444505563 /nfs/dbraw/zinc/50/55/63/444505563.db2.gz LGDDHFHMVLHGRS-JTQLQIEISA-N 1 1 330.344 1.625 20 5 EDBDMO COC(=O)c1cc(C)nc(NCCNc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000342133874 444525849 /nfs/dbraw/zinc/52/58/49/444525849.db2.gz RFMXQPZXBHFMQM-UHFFFAOYSA-N 1 1 345.359 2.312 20 5 EDBDMO C[C@H]([NH2+]CC(=O)NCCCN1CCCC1=O)c1ccccc1[N+](=O)[O-] ZINC000342283144 444611910 /nfs/dbraw/zinc/61/19/10/444611910.db2.gz PHRBGTZGTWICNE-ZDUSSCGKSA-N 1 1 348.403 1.374 20 5 EDBDMO CCN1CCC([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000342361269 444654892 /nfs/dbraw/zinc/65/48/92/444654892.db2.gz SLOFWKRIENOWPJ-HNNXBMFYSA-N 1 1 337.420 1.751 20 5 EDBDMO CC[NH+]1CCC(N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000342361269 444654906 /nfs/dbraw/zinc/65/49/06/444654906.db2.gz SLOFWKRIENOWPJ-HNNXBMFYSA-N 1 1 337.420 1.751 20 5 EDBDMO CO[C@H]1C[C@H](CN(C)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[N@@H+](C)C1 ZINC000343869811 444637649 /nfs/dbraw/zinc/63/76/49/444637649.db2.gz CEAGBTFMAURSKK-NEPJUHHUSA-N 1 1 347.375 1.399 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343967686 444700521 /nfs/dbraw/zinc/70/05/21/444700521.db2.gz GBLCMOLFGBZGDU-NEPJUHHUSA-N 1 1 327.406 1.664 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343967686 444700524 /nfs/dbraw/zinc/70/05/24/444700524.db2.gz GBLCMOLFGBZGDU-NEPJUHHUSA-N 1 1 327.406 1.664 20 5 EDBDMO CC(C)[N@@H+](C)CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000338434988 444694012 /nfs/dbraw/zinc/69/40/12/444694012.db2.gz DTWQEYCXNBKOSS-LBPRGKRZSA-N 1 1 336.392 1.170 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344026981 444736658 /nfs/dbraw/zinc/73/66/58/444736658.db2.gz KJHACEQUKVCOMK-NJZAAPMLSA-N 1 1 347.371 1.596 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@](F)(CO)C1 ZINC000338597874 444767241 /nfs/dbraw/zinc/76/72/41/444767241.db2.gz YLZQRMFCLNPWIT-HNNXBMFYSA-N 1 1 325.340 1.638 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344096993 444779841 /nfs/dbraw/zinc/77/98/41/444779841.db2.gz XPOASDNCSXJBMP-LNSITVRQSA-N 1 1 349.387 1.635 20 5 EDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341566869 444898465 /nfs/dbraw/zinc/89/84/65/444898465.db2.gz PUVAWPDURBLFEB-HNNXBMFYSA-N 1 1 334.420 1.420 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000343035704 445019958 /nfs/dbraw/zinc/01/99/58/445019958.db2.gz TWNUABBHSLQGQC-LBPRGKRZSA-N 1 1 337.376 1.193 20 5 EDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000343035704 445019961 /nfs/dbraw/zinc/01/99/61/445019961.db2.gz TWNUABBHSLQGQC-LBPRGKRZSA-N 1 1 337.376 1.193 20 5 EDBDMO COC(=O)[C@]1(C)C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000337422233 445073112 /nfs/dbraw/zinc/07/31/12/445073112.db2.gz BQYXYVHUWPKOPT-SJKOYZFVSA-N 1 1 349.387 1.973 20 5 EDBDMO COC(=O)[C@]1(C)C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000337422233 445073116 /nfs/dbraw/zinc/07/31/16/445073116.db2.gz BQYXYVHUWPKOPT-SJKOYZFVSA-N 1 1 349.387 1.973 20 5 EDBDMO COC(=O)[C@@]1(C)C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000337422224 445073214 /nfs/dbraw/zinc/07/32/14/445073214.db2.gz BQYXYVHUWPKOPT-PXAZEXFGSA-N 1 1 349.387 1.973 20 5 EDBDMO COC(=O)[C@@]1(C)C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000337422224 445073218 /nfs/dbraw/zinc/07/32/18/445073218.db2.gz BQYXYVHUWPKOPT-PXAZEXFGSA-N 1 1 349.387 1.973 20 5 EDBDMO COCCN1C(=O)N[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CC[C@@H]21 ZINC000344597202 445080559 /nfs/dbraw/zinc/08/05/59/445080559.db2.gz XQSRAOJXZMCALK-HOTGVXAUSA-N 1 1 348.403 1.518 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000343428909 445220975 /nfs/dbraw/zinc/22/09/75/445220975.db2.gz QWCDCGPXQUCKIP-RYUDHWBXSA-N 1 1 334.376 1.393 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000354487253 445259420 /nfs/dbraw/zinc/25/94/20/445259420.db2.gz GGFTZPVSBHDONB-GFCCVEGCSA-N 1 1 327.406 1.618 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000354487253 445259424 /nfs/dbraw/zinc/25/94/24/445259424.db2.gz GGFTZPVSBHDONB-GFCCVEGCSA-N 1 1 327.406 1.618 20 5 EDBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000362467065 445396220 /nfs/dbraw/zinc/39/62/20/445396220.db2.gz FLNFBTKYAVXRNC-STQMWFEESA-N 1 1 337.351 1.717 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000362467065 445396223 /nfs/dbraw/zinc/39/62/23/445396223.db2.gz FLNFBTKYAVXRNC-STQMWFEESA-N 1 1 337.351 1.717 20 5 EDBDMO C[N@H+]1CCC[C@H]1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000362601463 445458115 /nfs/dbraw/zinc/45/81/15/445458115.db2.gz TWORQPNZYOETPH-LBPRGKRZSA-N 1 1 335.360 1.119 20 5 EDBDMO Cc1c(C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)cccc1[N+](=O)[O-] ZINC000362826648 445567869 /nfs/dbraw/zinc/56/78/69/445567869.db2.gz PIRGVEDBGTZYBT-OAHLLOKOSA-N 1 1 332.404 1.299 20 5 EDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000363063168 445665410 /nfs/dbraw/zinc/66/54/10/445665410.db2.gz WDEHETQZBNVLBG-KOLCDFICSA-N 1 1 341.314 1.466 20 5 EDBDMO Cc1c(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000360285335 445676389 /nfs/dbraw/zinc/67/63/89/445676389.db2.gz KEKGMEJHTDHEHF-JSGCOSHPSA-N 1 1 348.403 1.118 20 5 EDBDMO COCc1nccc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000363115101 445683910 /nfs/dbraw/zinc/68/39/10/445683910.db2.gz WGAYAMMEOZVIPD-ZDUSSCGKSA-N 1 1 346.391 1.607 20 5 EDBDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000364763963 445952664 /nfs/dbraw/zinc/95/26/64/445952664.db2.gz IXGWZYRYIMZBTQ-GFCCVEGCSA-N 1 1 335.360 1.325 20 5 EDBDMO CN(c1ncccc1[N+](=O)[O-])C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000365186511 446070402 /nfs/dbraw/zinc/07/04/02/446070402.db2.gz JXPMZNCXVJGOIL-UHFFFAOYSA-N 1 1 347.419 1.513 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354282131 446078759 /nfs/dbraw/zinc/07/87/59/446078759.db2.gz MZUCAMGKOIWAAI-NSHDSACASA-N 1 1 325.390 1.418 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000354282131 446078770 /nfs/dbraw/zinc/07/87/70/446078770.db2.gz MZUCAMGKOIWAAI-NSHDSACASA-N 1 1 325.390 1.418 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362054053 446181359 /nfs/dbraw/zinc/18/13/59/446181359.db2.gz IVMDXGWARKJIQU-NWDGAFQWSA-N 1 1 337.376 1.492 20 5 EDBDMO COC(=O)c1cc(C)nc(N2CCC[N@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000376176616 446367728 /nfs/dbraw/zinc/36/77/28/446367728.db2.gz XYHXHSKJAKGZHM-UHFFFAOYSA-N 1 1 334.376 1.759 20 5 EDBDMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000411175855 446419380 /nfs/dbraw/zinc/41/93/80/446419380.db2.gz FGUDDJZLEGNCQQ-CYBMUJFWSA-N 1 1 348.403 1.751 20 5 EDBDMO Cc1nc(CO[C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cs1 ZINC000374864390 446422807 /nfs/dbraw/zinc/42/28/07/446422807.db2.gz RTEQMQHDNHGRQP-ZDUSSCGKSA-N 1 1 337.405 1.847 20 5 EDBDMO [NH3+]C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000420328881 446497335 /nfs/dbraw/zinc/49/73/35/446497335.db2.gz NGZGSZKOIBFTHJ-AWEZNQCLSA-N 1 1 335.404 1.661 20 5 EDBDMO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccc([N+](=O)[O-])o3)CCC[N@H+]2C)cn1 ZINC000370929990 446527454 /nfs/dbraw/zinc/52/74/54/446527454.db2.gz XRICXIWGACGPAE-NHYWBVRUSA-N 1 1 347.375 1.734 20 5 EDBDMO C[NH2+]CCCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000420369413 446549553 /nfs/dbraw/zinc/54/95/53/446549553.db2.gz IXVWDMPDCHKNCF-UHFFFAOYSA-N 1 1 332.408 1.593 20 5 EDBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000375239645 446663642 /nfs/dbraw/zinc/66/36/42/446663642.db2.gz VFJRDJHXYVZMOT-CYBMUJFWSA-N 1 1 343.330 1.713 20 5 EDBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000375239645 446663647 /nfs/dbraw/zinc/66/36/47/446663647.db2.gz VFJRDJHXYVZMOT-CYBMUJFWSA-N 1 1 343.330 1.713 20 5 EDBDMO C[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](c2ccccc2)C1 ZINC000375246376 446668653 /nfs/dbraw/zinc/66/86/53/446668653.db2.gz UAFOTUQYHXWENH-CABCVRRESA-N 1 1 341.371 1.400 20 5 EDBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000368188022 446695883 /nfs/dbraw/zinc/69/58/83/446695883.db2.gz KCHQCWIJKIPCLF-ZFWWWQNUSA-N 1 1 333.388 1.419 20 5 EDBDMO C[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000371270171 446730272 /nfs/dbraw/zinc/73/02/72/446730272.db2.gz YCWMOKHHUVWZRW-HOCLYGCPSA-N 1 1 326.356 1.817 20 5 EDBDMO CN(C)C(=O)[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000411940316 446749439 /nfs/dbraw/zinc/74/94/39/446749439.db2.gz NXKQTYVYGASJGH-LBPRGKRZSA-N 1 1 345.359 1.555 20 5 EDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000411940316 446749446 /nfs/dbraw/zinc/74/94/46/446749446.db2.gz NXKQTYVYGASJGH-LBPRGKRZSA-N 1 1 345.359 1.555 20 5 EDBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000420737309 446782171 /nfs/dbraw/zinc/78/21/71/446782171.db2.gz MIPXNVFCOAXUKX-AWEZNQCLSA-N 1 1 327.406 1.451 20 5 EDBDMO COc1ccc(OCC[N@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000412024344 446790992 /nfs/dbraw/zinc/79/09/92/446790992.db2.gz BRPYGSQGPDQRSH-LBPRGKRZSA-N 1 1 347.375 1.898 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CC[C@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000412024344 446790998 /nfs/dbraw/zinc/79/09/98/446790998.db2.gz BRPYGSQGPDQRSH-LBPRGKRZSA-N 1 1 347.375 1.898 20 5 EDBDMO COc1ccc(OCC[N@H+]2CC[C@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000412024344 446791002 /nfs/dbraw/zinc/79/10/02/446791002.db2.gz BRPYGSQGPDQRSH-LBPRGKRZSA-N 1 1 347.375 1.898 20 5 EDBDMO COc1ccc(OCC[N@@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1 ZINC000412024344 446791007 /nfs/dbraw/zinc/79/10/07/446791007.db2.gz BRPYGSQGPDQRSH-LBPRGKRZSA-N 1 1 347.375 1.898 20 5 EDBDMO COc1ccc(OCC[N@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1 ZINC000412024344 446791014 /nfs/dbraw/zinc/79/10/14/446791014.db2.gz BRPYGSQGPDQRSH-LBPRGKRZSA-N 1 1 347.375 1.898 20 5 EDBDMO Cc1nnc([C@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000412047821 446809872 /nfs/dbraw/zinc/80/98/72/446809872.db2.gz VIZXBEPRQMNIQL-LBPRGKRZSA-N 1 1 344.375 1.839 20 5 EDBDMO Cc1n[nH]c([C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000412047821 446809879 /nfs/dbraw/zinc/80/98/79/446809879.db2.gz VIZXBEPRQMNIQL-LBPRGKRZSA-N 1 1 344.375 1.839 20 5 EDBDMO Cc1n[nH]c([C@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000412047821 446809883 /nfs/dbraw/zinc/80/98/83/446809883.db2.gz VIZXBEPRQMNIQL-LBPRGKRZSA-N 1 1 344.375 1.839 20 5 EDBDMO Cc1nc([C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000412047821 446809888 /nfs/dbraw/zinc/80/98/88/446809888.db2.gz VIZXBEPRQMNIQL-LBPRGKRZSA-N 1 1 344.375 1.839 20 5 EDBDMO Cc1nc([C@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000412047821 446809894 /nfs/dbraw/zinc/80/98/94/446809894.db2.gz VIZXBEPRQMNIQL-LBPRGKRZSA-N 1 1 344.375 1.839 20 5 EDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000375469042 446823955 /nfs/dbraw/zinc/82/39/55/446823955.db2.gz MOPQMDAFZIGESZ-KRWDZBQOSA-N 1 1 330.388 1.898 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1F ZINC000412234222 446908097 /nfs/dbraw/zinc/90/80/97/446908097.db2.gz YOJUZCDLOQNADX-QWRGUYRKSA-N 1 1 339.367 1.836 20 5 EDBDMO Cc1nn(CCC(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000368591176 446963095 /nfs/dbraw/zinc/96/30/95/446963095.db2.gz LWSQRDYTEAFDKM-UONOGXRCSA-N 1 1 335.408 1.351 20 5 EDBDMO COc1cc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000420990233 446969964 /nfs/dbraw/zinc/96/99/64/446969964.db2.gz SVTOKFPBDOSPRL-UWVGGRQHSA-N 1 1 347.293 1.699 20 5 EDBDMO COc1cc(C[N@H+]2C[C@H](C(N)=O)[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000420990233 446969973 /nfs/dbraw/zinc/96/99/73/446969973.db2.gz SVTOKFPBDOSPRL-UWVGGRQHSA-N 1 1 347.293 1.699 20 5 EDBDMO CCc1nn(C)c(NC2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000377195426 446985773 /nfs/dbraw/zinc/98/57/73/446985773.db2.gz URIPRNGIJMXHMZ-UHFFFAOYSA-N 1 1 333.396 1.705 20 5 EDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000443367586 447044270 /nfs/dbraw/zinc/04/42/70/447044270.db2.gz IBRBLZZLTKJTCU-TZMCWYRMSA-N 1 1 348.403 1.865 20 5 EDBDMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425213295 447066176 /nfs/dbraw/zinc/06/61/76/447066176.db2.gz GRJMMWLEIRHCKE-GXFFZTMASA-N 1 1 343.380 1.449 20 5 EDBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CN1 ZINC000377394218 447108976 /nfs/dbraw/zinc/10/89/76/447108976.db2.gz ALHLUISQILAHCL-GXTWGEPZSA-N 1 1 348.359 1.994 20 5 EDBDMO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000455330070 447108996 /nfs/dbraw/zinc/10/89/96/447108996.db2.gz JVMCGHQNCHIFMW-PHIMTYICSA-N 1 1 340.355 1.653 20 5 EDBDMO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000455330070 447109003 /nfs/dbraw/zinc/10/90/03/447109003.db2.gz JVMCGHQNCHIFMW-PHIMTYICSA-N 1 1 340.355 1.653 20 5 EDBDMO C[N@@H+](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCSC1 ZINC000444637482 447113734 /nfs/dbraw/zinc/11/37/34/447113734.db2.gz PUAFLFWBOZMWND-NSHDSACASA-N 1 1 349.416 1.525 20 5 EDBDMO CC(C)(O)C[N@H+]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000372549089 447130542 /nfs/dbraw/zinc/13/05/42/447130542.db2.gz XGWGSKZJECCFFM-INIZCTEOSA-N 1 1 337.420 1.407 20 5 EDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000372731209 447252056 /nfs/dbraw/zinc/25/20/56/447252056.db2.gz ZXHBXKVODNBZQF-GPAKFWEMSA-N 1 1 333.388 1.523 20 5 EDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000372683514 447222190 /nfs/dbraw/zinc/22/21/90/447222190.db2.gz VWRUXJMVWSWIDK-NSHDSACASA-N 1 1 344.375 1.920 20 5 EDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000377587041 447227200 /nfs/dbraw/zinc/22/72/00/447227200.db2.gz LNJFSEPJQUNBHL-GFCCVEGCSA-N 1 1 328.319 1.462 20 5 EDBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455842799 447240042 /nfs/dbraw/zinc/24/00/42/447240042.db2.gz JZBWQCFDKZLIPR-RYUDHWBXSA-N 1 1 333.392 1.730 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416313179 447567336 /nfs/dbraw/zinc/56/73/36/447567336.db2.gz RHXRGAJPEQPJHR-VXGBXAGGSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416313179 447567343 /nfs/dbraw/zinc/56/73/43/447567343.db2.gz RHXRGAJPEQPJHR-VXGBXAGGSA-N 1 1 337.376 1.131 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)n1 ZINC000451260101 447716237 /nfs/dbraw/zinc/71/62/37/447716237.db2.gz IIDVSEFYTGQCBS-ZBFHGGJFSA-N 1 1 334.351 1.591 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)n1 ZINC000451260101 447716241 /nfs/dbraw/zinc/71/62/41/447716241.db2.gz IIDVSEFYTGQCBS-ZBFHGGJFSA-N 1 1 334.351 1.591 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459648016 447731500 /nfs/dbraw/zinc/73/15/00/447731500.db2.gz BPDTXTPUVWMFOU-IIAWOOMASA-N 1 1 348.399 1.835 20 5 EDBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000451894956 447775622 /nfs/dbraw/zinc/77/56/22/447775622.db2.gz SMUTZXIWAYXQAG-CMPLNLGQSA-N 1 1 347.293 1.439 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000451894956 447775625 /nfs/dbraw/zinc/77/56/25/447775625.db2.gz SMUTZXIWAYXQAG-CMPLNLGQSA-N 1 1 347.293 1.439 20 5 EDBDMO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1CCO ZINC000490072889 447886894 /nfs/dbraw/zinc/88/68/94/447886894.db2.gz OKSZGGWXSCAVEN-LLVKDONJSA-N 1 1 333.348 1.148 20 5 EDBDMO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@H+]1CCO ZINC000490072889 447886899 /nfs/dbraw/zinc/88/68/99/447886899.db2.gz OKSZGGWXSCAVEN-LLVKDONJSA-N 1 1 333.348 1.148 20 5 EDBDMO CNc1nccc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000553185984 447976747 /nfs/dbraw/zinc/97/67/47/447976747.db2.gz HCHLBQHBOVXGRF-LBPRGKRZSA-N 1 1 335.408 1.739 20 5 EDBDMO O=c1[nH]cnc2cc(NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)c([N+](=O)[O-])cc21 ZINC000583005733 448400151 /nfs/dbraw/zinc/40/01/51/448400151.db2.gz VDSZDKRGWJZNKE-PHIMTYICSA-N 1 1 345.359 1.519 20 5 EDBDMO CC[C@@H]1C[N@@H+](CC)CCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000583005610 448400476 /nfs/dbraw/zinc/40/04/76/448400476.db2.gz QGCSZERXXUFQEI-LLVKDONJSA-N 1 1 342.421 1.163 20 5 EDBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000583449296 448434806 /nfs/dbraw/zinc/43/48/06/448434806.db2.gz GZJIANCXSWQXNR-LBPRGKRZSA-N 1 1 335.408 1.812 20 5 EDBDMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000584534343 448561649 /nfs/dbraw/zinc/56/16/49/448561649.db2.gz LUADAKOKRLUKEE-UHFFFAOYSA-N 1 1 331.376 1.912 20 5 EDBDMO Cc1cc(S(=O)(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000573792876 448714050 /nfs/dbraw/zinc/71/40/50/448714050.db2.gz AEYIATJYGRKDQZ-RISCZKNCSA-N 1 1 325.390 1.228 20 5 EDBDMO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592569015 448905501 /nfs/dbraw/zinc/90/55/01/448905501.db2.gz VGJHARTWCOAJMT-SNVBAGLBSA-N 1 1 329.360 1.876 20 5 EDBDMO Cc1sc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588863051 448943011 /nfs/dbraw/zinc/94/30/11/448943011.db2.gz ONPAWKCUCHWPSS-MNOVXSKESA-N 1 1 325.390 1.246 20 5 EDBDMO COCC[NH+]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589495093 449025893 /nfs/dbraw/zinc/02/58/93/449025893.db2.gz YMQTWKXCSQOGCA-UHFFFAOYSA-N 1 1 337.376 1.145 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000589930223 449084400 /nfs/dbraw/zinc/08/44/00/449084400.db2.gz UXXWHJNHLDDSBB-TZMCWYRMSA-N 1 1 325.390 1.061 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000589929943 449084714 /nfs/dbraw/zinc/08/47/14/449084714.db2.gz OTLBMPPANKECFX-UKRRQHHQSA-N 1 1 339.417 1.103 20 5 EDBDMO O=C1CC[C@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]2N1 ZINC000595729572 449134626 /nfs/dbraw/zinc/13/46/26/449134626.db2.gz UEWUFMPXZKFZRN-CMPLNLGQSA-N 1 1 329.360 1.572 20 5 EDBDMO O=C1CC[C@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]2N1 ZINC000595729572 449134629 /nfs/dbraw/zinc/13/46/29/449134629.db2.gz UEWUFMPXZKFZRN-CMPLNLGQSA-N 1 1 329.360 1.572 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590012787 449096723 /nfs/dbraw/zinc/09/67/23/449096723.db2.gz YNJMFWGCXJDUMK-FZMZJTMJSA-N 1 1 334.376 1.178 20 5 EDBDMO COc1ccc(NC(=O)CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000590012004 449096882 /nfs/dbraw/zinc/09/68/82/449096882.db2.gz NXFCVTLMVOLHNF-ABAIWWIYSA-N 1 1 334.376 1.178 20 5 EDBDMO CC1(C)CCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593605042 449103444 /nfs/dbraw/zinc/10/34/44/449103444.db2.gz DWYWVBFZBXNLJA-UHFFFAOYSA-N 1 1 328.394 1.143 20 5 EDBDMO C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000595779753 449160577 /nfs/dbraw/zinc/16/05/77/449160577.db2.gz HREJOXRPQISOGG-OLZOCXBDSA-N 1 1 333.388 1.983 20 5 EDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000595779753 449160580 /nfs/dbraw/zinc/16/05/80/449160580.db2.gz HREJOXRPQISOGG-OLZOCXBDSA-N 1 1 333.388 1.983 20 5 EDBDMO CC[N@H+]1CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084509 449163345 /nfs/dbraw/zinc/16/33/45/449163345.db2.gz CAPPVVQYPDKSEG-NSHDSACASA-N 1 1 342.421 1.033 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000590443033 449164256 /nfs/dbraw/zinc/16/42/56/449164256.db2.gz JMJKCTABIYPGRU-YOEHRIQHSA-N 1 1 344.415 1.971 20 5 EDBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593670290 449140800 /nfs/dbraw/zinc/14/08/00/449140800.db2.gz IAULXPGCCHLDCX-DOTOQJQBSA-N 1 1 346.387 1.549 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595753293 449148218 /nfs/dbraw/zinc/14/82/18/449148218.db2.gz YLHHTXRUQFPNPL-RDJZCZTQSA-N 1 1 336.388 1.571 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000595805611 449177924 /nfs/dbraw/zinc/17/79/24/449177924.db2.gz ISHVVNZUSDJEOO-AWEZNQCLSA-N 1 1 335.408 1.790 20 5 EDBDMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000604095679 449178457 /nfs/dbraw/zinc/17/84/57/449178457.db2.gz CMMIXRASBBSZRX-UHFFFAOYSA-N 1 1 343.387 1.475 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC3(COC3)C2)c([N+](=O)[O-])c1 ZINC000595835182 449198028 /nfs/dbraw/zinc/19/80/28/449198028.db2.gz SHYQQGBMAPXNCR-NSHDSACASA-N 1 1 335.360 1.653 20 5 EDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC3(COC3)C2)c([N+](=O)[O-])c1 ZINC000595835182 449198036 /nfs/dbraw/zinc/19/80/36/449198036.db2.gz SHYQQGBMAPXNCR-NSHDSACASA-N 1 1 335.360 1.653 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000604278234 449200798 /nfs/dbraw/zinc/20/07/98/449200798.db2.gz XATPVZOQHLFKBV-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000604278234 449200804 /nfs/dbraw/zinc/20/08/04/449200804.db2.gz XATPVZOQHLFKBV-GFCCVEGCSA-N 1 1 327.406 1.584 20 5 EDBDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595827929 449190458 /nfs/dbraw/zinc/19/04/58/449190458.db2.gz SCPNZBMHSALDSY-MRXNPFEDSA-N 1 1 342.399 1.967 20 5 EDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000611254008 449239538 /nfs/dbraw/zinc/23/95/38/449239538.db2.gz DNWLZSMXHGEQQB-INIZCTEOSA-N 1 1 335.404 1.987 20 5 EDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000611254008 449239540 /nfs/dbraw/zinc/23/95/40/449239540.db2.gz DNWLZSMXHGEQQB-INIZCTEOSA-N 1 1 335.404 1.987 20 5 EDBDMO Cc1ccc([C@@H](C)NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593374233 449250912 /nfs/dbraw/zinc/25/09/12/449250912.db2.gz XNQJGFIJPLDCMQ-IUODEOHRSA-N 1 1 348.403 1.425 20 5 EDBDMO Cc1ccc([C@@H](C)NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593374233 449250919 /nfs/dbraw/zinc/25/09/19/449250919.db2.gz XNQJGFIJPLDCMQ-IUODEOHRSA-N 1 1 348.403 1.425 20 5 EDBDMO C[C@H]1C[N@H+](C)C[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000602124232 449364446 /nfs/dbraw/zinc/36/44/46/449364446.db2.gz LRFLWLRQCYPOCN-LRDDRELGSA-N 1 1 333.388 1.805 20 5 EDBDMO C[C@H]1C[N@@H+](C)C[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000602124232 449364454 /nfs/dbraw/zinc/36/44/54/449364454.db2.gz LRFLWLRQCYPOCN-LRDDRELGSA-N 1 1 333.388 1.805 20 5 EDBDMO Cc1c(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000598454484 449403338 /nfs/dbraw/zinc/40/33/38/449403338.db2.gz VWMKJIPUDTZFCS-AWEZNQCLSA-N 1 1 333.388 1.574 20 5 EDBDMO CN(C)CC[NH+]1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611700567 449387088 /nfs/dbraw/zinc/38/70/88/449387088.db2.gz JDEPPKGNXHOFMM-UHFFFAOYSA-N 1 1 344.419 1.976 20 5 EDBDMO COC(=O)c1ccnc(N(C)CCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000598606439 449489871 /nfs/dbraw/zinc/48/98/71/449489871.db2.gz KGEUNQDTTJEEFH-UHFFFAOYSA-N 1 1 333.348 1.808 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598716890 449560435 /nfs/dbraw/zinc/56/04/35/449560435.db2.gz UWVKEFNRAKWEKC-GHMZBOCLSA-N 1 1 327.406 1.583 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000598897558 449635635 /nfs/dbraw/zinc/63/56/35/449635635.db2.gz GSVWNBQQPZGEHW-WCQYABFASA-N 1 1 349.391 1.315 20 5 EDBDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594792448 449701899 /nfs/dbraw/zinc/70/18/99/449701899.db2.gz QVXIKLLMYRKCQT-LLVKDONJSA-N 1 1 327.406 1.746 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594792448 449701901 /nfs/dbraw/zinc/70/19/01/449701901.db2.gz QVXIKLLMYRKCQT-LLVKDONJSA-N 1 1 327.406 1.746 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CN(c2ccncn2)C1 ZINC000601158109 449722714 /nfs/dbraw/zinc/72/27/14/449722714.db2.gz MUBKUMLYDVYTPF-UHFFFAOYSA-N 1 1 329.360 1.762 20 5 EDBDMO CC(=O)N1CCN(CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601104909 449692128 /nfs/dbraw/zinc/69/21/28/449692128.db2.gz LXAIFBDOCHKOCT-UHFFFAOYSA-N 1 1 343.387 1.141 20 5 EDBDMO COc1cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)c([N+](=O)[O-])cc1O ZINC000594978065 449825976 /nfs/dbraw/zinc/82/59/76/449825976.db2.gz WTUOUCHCRLIISJ-GXSJLCMTSA-N 1 1 344.389 1.364 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])s1 ZINC000601370371 449884908 /nfs/dbraw/zinc/88/49/08/449884908.db2.gz XTZDJXDBCIOFGG-LDYMZIIASA-N 1 1 345.446 1.726 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])s1 ZINC000601370371 449884915 /nfs/dbraw/zinc/88/49/15/449884915.db2.gz XTZDJXDBCIOFGG-LDYMZIIASA-N 1 1 345.446 1.726 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000614933441 449885292 /nfs/dbraw/zinc/88/52/92/449885292.db2.gz FYIHUXZWOLKIJV-QMTHXVAHSA-N 1 1 338.364 1.444 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000614933441 449885296 /nfs/dbraw/zinc/88/52/96/449885296.db2.gz FYIHUXZWOLKIJV-QMTHXVAHSA-N 1 1 338.364 1.444 20 5 EDBDMO Cn1cc(C2=CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cn1 ZINC000602883170 449890689 /nfs/dbraw/zinc/89/06/89/449890689.db2.gz NLSKYKVGLGNQTH-UHFFFAOYSA-N 1 1 329.360 1.279 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601379124 449894808 /nfs/dbraw/zinc/89/48/08/449894808.db2.gz SSRGLVAKNSKDCT-UHFFFAOYSA-N 1 1 339.367 1.653 20 5 EDBDMO COc1ccc(CC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000609016221 449956789 /nfs/dbraw/zinc/95/67/89/449956789.db2.gz ISNYHSLDAUHZHP-UONOGXRCSA-N 1 1 333.388 1.889 20 5 EDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601467910 449992250 /nfs/dbraw/zinc/99/22/50/449992250.db2.gz ADZQVJDUYRMQIB-SNVBAGLBSA-N 1 1 333.435 1.727 20 5 EDBDMO Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000609383067 450021332 /nfs/dbraw/zinc/02/13/32/450021332.db2.gz CHGOQOSLXYHPPF-UHFFFAOYSA-N 1 1 341.415 2.532 20 5 EDBDMO COc1cc[nH+]c(N2CCN(Cc3onc(C)c3[N+](=O)[O-])CC2)c1 ZINC000595301607 450015272 /nfs/dbraw/zinc/01/52/72/450015272.db2.gz GSVXEVHERKEDLQ-UHFFFAOYSA-N 1 1 333.348 1.617 20 5 EDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC2(C)COC2)c([N+](=O)[O-])c1 ZINC000599571983 450075075 /nfs/dbraw/zinc/07/50/75/450075075.db2.gz ZKAMAHBTAVBJGL-LLVKDONJSA-N 1 1 337.376 1.899 20 5 EDBDMO O=[N+]([O-])c1ccc2c(c1N1CC[NH+](C[C@@H]3CCCO3)CC1)CCN2 ZINC000618150395 450029365 /nfs/dbraw/zinc/02/93/65/450029365.db2.gz PHDNTCCTXPSCFL-ZDUSSCGKSA-N 1 1 332.404 1.864 20 5 EDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597574706 450119003 /nfs/dbraw/zinc/11/90/03/450119003.db2.gz GQWKNACAQOTNAP-STQMWFEESA-N 1 1 337.351 1.618 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643615 450124536 /nfs/dbraw/zinc/12/45/36/450124536.db2.gz ALYXBSIIEACOLU-BJHJDKERSA-N 1 1 334.376 1.428 20 5 EDBDMO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1)n1cc([N+](=O)[O-])cn1 ZINC000597583913 450125851 /nfs/dbraw/zinc/12/58/51/450125851.db2.gz VOHMDECEHLQVCD-CHWSQXEVSA-N 1 1 339.371 1.171 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000595447310 450148206 /nfs/dbraw/zinc/14/82/06/450148206.db2.gz GWDFMQKEEZAZFG-ZDUSSCGKSA-N 1 1 336.392 1.887 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCn2cncc2C1 ZINC000595490532 450180852 /nfs/dbraw/zinc/18/08/52/450180852.db2.gz OCZPTGLNAOWHCU-UHFFFAOYSA-N 1 1 345.359 1.644 20 5 EDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C2 ZINC000597712981 450216274 /nfs/dbraw/zinc/21/62/74/450216274.db2.gz AROQNQSTWYMSAS-INIZCTEOSA-N 1 1 336.367 1.874 20 5 EDBDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595504963 450192479 /nfs/dbraw/zinc/19/24/79/450192479.db2.gz NWDQLMFRMPIMAT-KRWDZBQOSA-N 1 1 332.404 1.611 20 5 EDBDMO O=C1C[C@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)CN1 ZINC000595564332 450237309 /nfs/dbraw/zinc/23/73/09/450237309.db2.gz XMGXRCRFDCHVKL-BPUTZDHNSA-N 1 1 347.415 1.836 20 5 EDBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000619787977 450334355 /nfs/dbraw/zinc/33/43/55/450334355.db2.gz PWTHFMCLVNQCEU-ZDUSSCGKSA-N 1 1 329.360 1.664 20 5 EDBDMO CC(C)COC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603586081 450329384 /nfs/dbraw/zinc/32/93/84/450329384.db2.gz HFNCIPLODNAKDO-OAHLLOKOSA-N 1 1 338.408 1.145 20 5 EDBDMO C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1C[N@H+](C)CCO1 ZINC000610926896 450381678 /nfs/dbraw/zinc/38/16/78/450381678.db2.gz SPDAHKANQBCNCS-BMIGLBTASA-N 1 1 332.360 1.525 20 5 EDBDMO C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000610926896 450381681 /nfs/dbraw/zinc/38/16/81/450381681.db2.gz SPDAHKANQBCNCS-BMIGLBTASA-N 1 1 332.360 1.525 20 5 EDBDMO CSC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000187895526 533794355 /nfs/dbraw/zinc/79/43/55/533794355.db2.gz HFZHMQRPBRRHTA-CQSZACIVSA-N 1 1 339.417 1.077 20 5 EDBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000154799104 534885778 /nfs/dbraw/zinc/88/57/78/534885778.db2.gz MYYUQOUXGAVVIR-HNNXBMFYSA-N 1 1 337.401 1.371 20 5 EDBDMO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)CC[N@H+]1C[C@@H](C)O ZINC000174611839 529283398 /nfs/dbraw/zinc/28/33/98/529283398.db2.gz YICKIECXOIONKZ-OCCSQVGLSA-N 1 1 335.404 1.820 20 5 EDBDMO CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271780555 535058187 /nfs/dbraw/zinc/05/81/87/535058187.db2.gz SDNXTGPKTVBUAK-LBPRGKRZSA-N 1 1 336.392 1.230 20 5 EDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000248789519 536552366 /nfs/dbraw/zinc/55/23/66/536552366.db2.gz DEIXSPKVABOGLF-XZDPQHSOSA-N 1 1 334.372 1.902 20 5 EDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000248789519 536552373 /nfs/dbraw/zinc/55/23/73/536552373.db2.gz DEIXSPKVABOGLF-XZDPQHSOSA-N 1 1 334.372 1.902 20 5 EDBDMO COc1cc(C(=O)NCC[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000742238754 579444431 /nfs/dbraw/zinc/44/44/31/579444431.db2.gz BBUGEPFFUJZPSO-NSHDSACASA-N 1 1 337.376 1.826 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cn(-c3ccccc3)nn2)cc1 ZINC000731678953 578678525 /nfs/dbraw/zinc/67/85/25/578678525.db2.gz TWAYVOFZWNABJI-KRWDZBQOSA-N 1 1 339.355 1.999 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]Cc2ccncc2Cl)cc1 ZINC000746656472 579605428 /nfs/dbraw/zinc/60/54/28/579605428.db2.gz ZBFKZPZRPOSTEY-GJZGRUSLSA-N 1 1 337.763 1.827 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000752100216 579838416 /nfs/dbraw/zinc/83/84/16/579838416.db2.gz AZGQTJVMKNKCNI-HVCHUGMYSA-N 1 1 333.388 1.835 20 5 EDBDMO C/C(=C/C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752365539 579846971 /nfs/dbraw/zinc/84/69/71/579846971.db2.gz NXZSURZRWAWMOC-IKESIWSLSA-N 1 1 346.431 1.750 20 5 EDBDMO C/C(=C\C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752550032 579861292 /nfs/dbraw/zinc/86/12/92/579861292.db2.gz FYDWRJLFBYNLNI-VSOYFRJCSA-N 1 1 345.399 1.931 20 5 EDBDMO COC[C@@H]1CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752794198 579865837 /nfs/dbraw/zinc/86/58/37/579865837.db2.gz WSMJDVNBJRJLCP-CYBMUJFWSA-N 1 1 334.376 1.763 20 5 EDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000765972787 580155546 /nfs/dbraw/zinc/15/55/46/580155546.db2.gz TUNSZVDTUOHARY-GFCCVEGCSA-N 1 1 334.332 1.592 20 5 EDBDMO COC(=O)/C=C\c1ccc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000770475334 580261762 /nfs/dbraw/zinc/26/17/62/580261762.db2.gz KXMRJUMNTPYQJY-JVEHBYJWSA-N 1 1 349.387 1.912 20 5 EDBDMO COC(=O)/C=C\c1ccc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000770475334 580261763 /nfs/dbraw/zinc/26/17/63/580261763.db2.gz KXMRJUMNTPYQJY-JVEHBYJWSA-N 1 1 349.387 1.912 20 5 EDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000771509327 580288191 /nfs/dbraw/zinc/28/81/91/580288191.db2.gz MCQOFUFRYOMOGW-VIFPVBQESA-N 1 1 335.389 1.671 20 5 EDBDMO CS[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000776595885 580423378 /nfs/dbraw/zinc/42/33/78/580423378.db2.gz BUIHAHHTRLPIKF-RRFJBIMHSA-N 1 1 325.434 1.606 20 5 EDBDMO CS[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000776595885 580423379 /nfs/dbraw/zinc/42/33/79/580423379.db2.gz BUIHAHHTRLPIKF-RRFJBIMHSA-N 1 1 325.434 1.606 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@@H](n3cncn3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000776777885 580429023 /nfs/dbraw/zinc/42/90/23/580429023.db2.gz SCWOCJBYQRFTBI-CYBMUJFWSA-N 1 1 327.348 1.749 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@@H](n3cncn3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000776777885 580429024 /nfs/dbraw/zinc/42/90/24/580429024.db2.gz SCWOCJBYQRFTBI-CYBMUJFWSA-N 1 1 327.348 1.749 20 5 EDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@]1(CO)CCOC1 ZINC000782531258 580576992 /nfs/dbraw/zinc/57/69/92/580576992.db2.gz OVZGXXCEZUSDEI-OAHLLOKOSA-N 1 1 341.339 1.146 20 5 EDBDMO COC(=O)[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)[C@H]1C ZINC000787244189 580690518 /nfs/dbraw/zinc/69/05/18/580690518.db2.gz MXBKPCWYGNZYEX-JQWIXIFHSA-N 1 1 333.348 1.489 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)[C@H]1C ZINC000787244189 580690519 /nfs/dbraw/zinc/69/05/19/580690519.db2.gz MXBKPCWYGNZYEX-JQWIXIFHSA-N 1 1 333.348 1.489 20 5 EDBDMO Cc1c(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000790293234 580766201 /nfs/dbraw/zinc/76/62/01/580766201.db2.gz VJKXCXAVVLBRSJ-GJZGRUSLSA-N 1 1 348.403 1.566 20 5 EDBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000794633445 580900918 /nfs/dbraw/zinc/90/09/18/580900918.db2.gz WKOMSASRVWNWSQ-NWDGAFQWSA-N 1 1 333.344 1.961 20 5 EDBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000794633445 580900919 /nfs/dbraw/zinc/90/09/19/580900919.db2.gz WKOMSASRVWNWSQ-NWDGAFQWSA-N 1 1 333.344 1.961 20 5 EDBDMO C[C@]1(C(N)=O)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000796579085 580957088 /nfs/dbraw/zinc/95/70/88/580957088.db2.gz CCAJHPIVPKCWJL-AWEZNQCLSA-N 1 1 340.767 1.384 20 5 EDBDMO C[C@]1(C(N)=O)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000796579085 580957089 /nfs/dbraw/zinc/95/70/89/580957089.db2.gz CCAJHPIVPKCWJL-AWEZNQCLSA-N 1 1 340.767 1.384 20 5 EDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000797413338 580974698 /nfs/dbraw/zinc/97/46/98/580974698.db2.gz CIISSESDPZXPRN-KRWDZBQOSA-N 1 1 343.387 1.874 20 5 EDBDMO COc1c(O)ccc(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894158944 591211448 /nfs/dbraw/zinc/21/14/48/591211448.db2.gz RCCISRCJBLDDBM-RYUDHWBXSA-N 1 1 339.392 1.196 20 5 EDBDMO O=[N+]([O-])c1c2nonc2ccc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000894178638 591218597 /nfs/dbraw/zinc/21/85/97/591218597.db2.gz PWCOGBLMIYVFOW-UHFFFAOYSA-N 1 1 347.375 1.822 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000892928928 591228078 /nfs/dbraw/zinc/22/80/78/591228078.db2.gz BVVMSMMILKLFBW-SWLSCSKDSA-N 1 1 334.376 1.319 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000896431057 591459375 /nfs/dbraw/zinc/45/93/75/591459375.db2.gz JYHCSJFTUGGBFN-TZMCWYRMSA-N 1 1 347.419 1.875 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1C ZINC000896531285 591487115 /nfs/dbraw/zinc/48/71/15/591487115.db2.gz ZICAQOKVAPLBAL-DZGCQCFKSA-N 1 1 334.420 1.576 20 5 EDBDMO C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000896581663 591542046 /nfs/dbraw/zinc/54/20/46/591542046.db2.gz NAEWTCQVQNWGCV-YGRLFVJLSA-N 1 1 340.811 1.612 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000905693546 592624170 /nfs/dbraw/zinc/62/41/70/592624170.db2.gz MBXVIPZOOOHSDN-JTQLQIEISA-N 1 1 335.316 1.155 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000905693546 592624173 /nfs/dbraw/zinc/62/41/73/592624173.db2.gz MBXVIPZOOOHSDN-JTQLQIEISA-N 1 1 335.316 1.155 20 5 EDBDMO C[C@@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)N1CC[NH+](C)CC1 ZINC000911475839 592923757 /nfs/dbraw/zinc/92/37/57/592923757.db2.gz LGOKHQGWBPUEGC-JTQLQIEISA-N 1 1 342.346 1.125 20 5 EDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000783915826 593137795 /nfs/dbraw/zinc/13/77/95/593137795.db2.gz MTUUXAUYRABRIY-GFCCVEGCSA-N 1 1 344.375 1.390 20 5 EDBDMO COc1cccc(C(=O)OC[C@@H]2C[N@@H+](C(C)C)CCO2)c1[N+](=O)[O-] ZINC000802137311 593222279 /nfs/dbraw/zinc/22/22/79/593222279.db2.gz PWTQXOVEHXGRNA-LBPRGKRZSA-N 1 1 338.360 1.869 20 5 EDBDMO COc1cccc(C(=O)OC[C@@H]2C[N@H+](C(C)C)CCO2)c1[N+](=O)[O-] ZINC000802137311 593222280 /nfs/dbraw/zinc/22/22/80/593222280.db2.gz PWTQXOVEHXGRNA-LBPRGKRZSA-N 1 1 338.360 1.869 20 5 EDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000808160455 593230863 /nfs/dbraw/zinc/23/08/63/593230863.db2.gz MFBQULVWHWCUQB-XSDWHBAISA-N 1 1 331.372 1.276 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000809161059 593320927 /nfs/dbraw/zinc/32/09/27/593320927.db2.gz RUXLZKHLUPIMTO-UHFFFAOYSA-N 1 1 339.465 1.765 20 5 EDBDMO CN(CCCNC(=S)Nc1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000809161059 593320930 /nfs/dbraw/zinc/32/09/30/593320930.db2.gz RUXLZKHLUPIMTO-UHFFFAOYSA-N 1 1 339.465 1.765 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803495456 593336194 /nfs/dbraw/zinc/33/61/94/593336194.db2.gz FXQPBEWNYUWIIU-OAHLLOKOSA-N 1 1 337.376 1.971 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803494619 593336557 /nfs/dbraw/zinc/33/65/57/593336557.db2.gz JDFJPZPCRJFAIJ-HNNXBMFYSA-N 1 1 337.376 1.971 20 5 EDBDMO CN1CCN(C(C)(C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819060850 593736537 /nfs/dbraw/zinc/73/65/37/593736537.db2.gz IPURXIRYNGBRQR-MRXNPFEDSA-N 1 1 336.436 1.244 20 5 EDBDMO C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000819265892 593747650 /nfs/dbraw/zinc/74/76/50/593747650.db2.gz UBQXCNDDRDKMBY-RHSMWYFYSA-N 1 1 337.420 1.719 20 5 EDBDMO C[C@@H]1CN(CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000819265892 593747651 /nfs/dbraw/zinc/74/76/51/593747651.db2.gz UBQXCNDDRDKMBY-RHSMWYFYSA-N 1 1 337.420 1.719 20 5 EDBDMO C[C@@H]1C[N@H+](CCCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000819265892 593747652 /nfs/dbraw/zinc/74/76/52/593747652.db2.gz UBQXCNDDRDKMBY-RHSMWYFYSA-N 1 1 337.420 1.719 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000819265892 593747653 /nfs/dbraw/zinc/74/76/53/593747653.db2.gz UBQXCNDDRDKMBY-RHSMWYFYSA-N 1 1 337.420 1.719 20 5 EDBDMO COc1ccc(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000821587916 593870747 /nfs/dbraw/zinc/87/07/47/593870747.db2.gz RYILMABRQJUHFA-BETUJISGSA-N 1 1 336.344 1.623 20 5 EDBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000822929763 594123414 /nfs/dbraw/zinc/12/34/14/594123414.db2.gz ASYZAQCNBJVFGC-DLTLXFJOSA-N 1 1 347.415 1.612 20 5 EDBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000822929763 594123415 /nfs/dbraw/zinc/12/34/15/594123415.db2.gz ASYZAQCNBJVFGC-DLTLXFJOSA-N 1 1 347.415 1.612 20 5 EDBDMO C[N@@H+](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000825394267 594177960 /nfs/dbraw/zinc/17/79/60/594177960.db2.gz XFEHDVIYYDPIDZ-KRWDZBQOSA-N 1 1 343.383 1.876 20 5 EDBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC000823282416 594179992 /nfs/dbraw/zinc/17/99/92/594179992.db2.gz PFWPMNJORFAENN-ZDUSSCGKSA-N 1 1 326.441 1.107 20 5 EDBDMO C[NH+]1CCC(N2CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC000823282416 594179994 /nfs/dbraw/zinc/17/99/94/594179994.db2.gz PFWPMNJORFAENN-ZDUSSCGKSA-N 1 1 326.441 1.107 20 5 EDBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000823619855 594221897 /nfs/dbraw/zinc/22/18/97/594221897.db2.gz CFAFURXOIROSPV-NXEZZACHSA-N 1 1 330.352 1.209 20 5 EDBDMO CCOC(=O)Cc1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000825939376 594286363 /nfs/dbraw/zinc/28/63/63/594286363.db2.gz YZHXTIHXKVCFMA-CQSZACIVSA-N 1 1 349.387 1.221 20 5 EDBDMO CCOC(=O)Cc1ccc(N2CC[N@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000825939376 594286364 /nfs/dbraw/zinc/28/63/64/594286364.db2.gz YZHXTIHXKVCFMA-CQSZACIVSA-N 1 1 349.387 1.221 20 5 EDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831416060 594626876 /nfs/dbraw/zinc/62/68/76/594626876.db2.gz KHFOJWYASHXERO-HUUCEWRRSA-N 1 1 335.404 1.865 20 5 EDBDMO CC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000827349884 594663567 /nfs/dbraw/zinc/66/35/67/594663567.db2.gz NZUHKYMLHLVBOU-UHFFFAOYSA-N 1 1 341.433 1.919 20 5 EDBDMO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832450076 594751232 /nfs/dbraw/zinc/75/12/32/594751232.db2.gz AQYAKGJBYMXBBV-DGCLKSJQSA-N 1 1 343.767 1.580 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000867148187 594892951 /nfs/dbraw/zinc/89/29/51/594892951.db2.gz OLXGYQQJEDIFMC-NSHDSACASA-N 1 1 345.396 1.805 20 5 EDBDMO C[C@H]([NH2+]C1CC1)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000843224522 595043602 /nfs/dbraw/zinc/04/36/02/595043602.db2.gz PADWDIKFYLOWLE-JTQLQIEISA-N 1 1 345.359 1.650 20 5 EDBDMO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C(C)(C)C1 ZINC000846561190 595275237 /nfs/dbraw/zinc/27/52/37/595275237.db2.gz GBQGUGORXDTOMN-UHFFFAOYSA-N 1 1 336.392 1.360 20 5 EDBDMO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C(C)(C)C1 ZINC000846561190 595275241 /nfs/dbraw/zinc/27/52/41/595275241.db2.gz GBQGUGORXDTOMN-UHFFFAOYSA-N 1 1 336.392 1.360 20 5 EDBDMO C[C@H]1COCCC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483089 595391435 /nfs/dbraw/zinc/39/14/35/595391435.db2.gz YFCFSRRWTAPKKJ-BBRMVZONSA-N 1 1 333.388 1.979 20 5 EDBDMO C[C@H]1COCCC[N@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483089 595391438 /nfs/dbraw/zinc/39/14/38/595391438.db2.gz YFCFSRRWTAPKKJ-BBRMVZONSA-N 1 1 333.388 1.979 20 5 EDBDMO CC[N@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1CCOC1 ZINC000848489911 595393992 /nfs/dbraw/zinc/39/39/92/595393992.db2.gz KDUUKYKAKZDTEQ-JKSUJKDBSA-N 1 1 333.388 1.979 20 5 EDBDMO CC[N@@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1CCOC1 ZINC000848489911 595393993 /nfs/dbraw/zinc/39/39/93/595393993.db2.gz KDUUKYKAKZDTEQ-JKSUJKDBSA-N 1 1 333.388 1.979 20 5 EDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857769021 595602605 /nfs/dbraw/zinc/60/26/05/595602605.db2.gz YHAKFBVKERKOPD-ZDUSSCGKSA-N 1 1 347.293 1.726 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000855162418 595617517 /nfs/dbraw/zinc/61/75/17/595617517.db2.gz JJFVPXJDLQMAJA-IUODEOHRSA-N 1 1 335.404 1.865 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853502562 595771654 /nfs/dbraw/zinc/77/16/54/595771654.db2.gz CZGBXUICRONNSU-LBPRGKRZSA-N 1 1 345.359 1.838 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853502562 595771656 /nfs/dbraw/zinc/77/16/56/595771656.db2.gz CZGBXUICRONNSU-LBPRGKRZSA-N 1 1 345.359 1.838 20 5 EDBDMO O=C1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]2N1 ZINC000852494584 596181570 /nfs/dbraw/zinc/18/15/70/596181570.db2.gz HJLPLLYNFZYFNH-ZWNOBZJWSA-N 1 1 334.332 1.604 20 5 EDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]2N1 ZINC000852494584 596181573 /nfs/dbraw/zinc/18/15/73/596181573.db2.gz HJLPLLYNFZYFNH-ZWNOBZJWSA-N 1 1 334.332 1.604 20 5 EDBDMO O=C1CCCN1C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852680722 596226193 /nfs/dbraw/zinc/22/61/93/596226193.db2.gz YFPZAVURCHCFPU-CZUORRHYSA-N 1 1 333.388 1.573 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000859930472 596228364 /nfs/dbraw/zinc/22/83/64/596228364.db2.gz YZDRGOCVOZDBAB-LEUOFYLZSA-N 1 1 342.399 1.888 20 5 EDBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000121768966 596510616 /nfs/dbraw/zinc/51/06/16/596510616.db2.gz ZQYZEDFRDRBRPG-TXEJJXNPSA-N 1 1 336.392 1.358 20 5 EDBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000121768966 596510618 /nfs/dbraw/zinc/51/06/18/596510618.db2.gz ZQYZEDFRDRBRPG-TXEJJXNPSA-N 1 1 336.392 1.358 20 5 EDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000867855365 596587245 /nfs/dbraw/zinc/58/72/45/596587245.db2.gz KJEBQXPCZQEDLN-ZIAGYGMSSA-N 1 1 339.342 1.921 20 5 EDBDMO C[C@]([NH3+])(C(=O)N1CCC[C@@H]2COCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000867966884 596637689 /nfs/dbraw/zinc/63/76/89/596637689.db2.gz VBHIIMNLQGWWBT-SRCQZFHVSA-N 1 1 333.388 1.796 20 5 EDBDMO C[C@]([NH3+])(C(=O)N1CCO[C@@H](C(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000872268839 596862013 /nfs/dbraw/zinc/86/20/13/596862013.db2.gz KXMPDJHTVJGCCV-IUODEOHRSA-N 1 1 343.330 1.651 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000874168565 596949227 /nfs/dbraw/zinc/94/92/27/596949227.db2.gz DEXYJZSDGWHLQP-WFASDCNBSA-N 1 1 346.387 1.394 20 5 EDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000876728818 597309796 /nfs/dbraw/zinc/30/97/96/597309796.db2.gz WULAQLBMKSKGDR-CXAGYDPISA-N 1 1 334.420 1.569 20 5 EDBDMO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877175919 597453713 /nfs/dbraw/zinc/45/37/13/597453713.db2.gz MLIHCOIDWISDNM-ZDUSSCGKSA-N 1 1 341.433 1.725 20 5 EDBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877175919 597453715 /nfs/dbraw/zinc/45/37/15/597453715.db2.gz MLIHCOIDWISDNM-ZDUSSCGKSA-N 1 1 341.433 1.725 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000878099954 597578056 /nfs/dbraw/zinc/57/80/56/597578056.db2.gz ITZYTZUYQMGDSS-AWEZNQCLSA-N 1 1 335.408 1.577 20 5 EDBDMO Nc1ccc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000882988037 597608691 /nfs/dbraw/zinc/60/86/91/597608691.db2.gz XENZHVJDGQIGDP-OAHLLOKOSA-N 1 1 349.435 1.386 20 5 EDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531793 597621609 /nfs/dbraw/zinc/62/16/09/597621609.db2.gz LERRBJNEBJGIOH-OKILXGFUSA-N 1 1 347.371 1.429 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000127289277 597688116 /nfs/dbraw/zinc/68/81/16/597688116.db2.gz AVUCXWBCVCJFNH-AOOOYVTPSA-N 1 1 336.348 1.976 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000127289277 597688118 /nfs/dbraw/zinc/68/81/18/597688118.db2.gz AVUCXWBCVCJFNH-AOOOYVTPSA-N 1 1 336.348 1.976 20 5 EDBDMO CC[N@H+]1CC[C@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000882960789 598117370 /nfs/dbraw/zinc/11/73/70/598117370.db2.gz WGGWCJWIZKUPLY-NSHDSACASA-N 1 1 342.421 1.351 20 5 EDBDMO Cn1cccc1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031552576 697237760 /nfs/dbraw/zinc/23/77/60/697237760.db2.gz DLLBEBXBFQFSET-UHFFFAOYSA-N 1 1 328.372 1.795 20 5 EDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000919860404 697351152 /nfs/dbraw/zinc/35/11/52/697351152.db2.gz KIEREOIBMCDLBF-DZGCQCFKSA-N 1 1 339.417 1.593 20 5 EDBDMO CCn1ccnc1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001031635940 697383225 /nfs/dbraw/zinc/38/32/25/697383225.db2.gz ICRKDHQMIXICNL-UHFFFAOYSA-N 1 1 343.387 1.673 20 5 EDBDMO Cc1ccc(OCC[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001031660669 697430466 /nfs/dbraw/zinc/43/04/66/697430466.db2.gz OGYFFUXBESAHPI-HZPDHXFCSA-N 1 1 333.388 1.087 20 5 EDBDMO Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)s1 ZINC000996428505 702782803 /nfs/dbraw/zinc/78/28/03/702782803.db2.gz GAYMJOXRMNNPKC-TZMCWYRMSA-N 1 1 338.433 1.506 20 5 EDBDMO Cc1cccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034643547 710319705 /nfs/dbraw/zinc/31/97/05/710319705.db2.gz OWPLTEIKPHJSBG-IXYNUQLISA-N 1 1 332.404 1.572 20 5 EDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000922168531 710327688 /nfs/dbraw/zinc/32/76/88/710327688.db2.gz MLMQJTQCDQSBOA-NSHDSACASA-N 1 1 335.360 1.580 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174328902 231179667 /nfs/dbraw/zinc/17/96/67/231179667.db2.gz XYPWFKCXGYCPOH-VXGBXAGGSA-N 1 1 337.376 1.131 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174328902 231179671 /nfs/dbraw/zinc/17/96/71/231179671.db2.gz XYPWFKCXGYCPOH-VXGBXAGGSA-N 1 1 337.376 1.131 20 5 EDBDMO CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739946 306246345 /nfs/dbraw/zinc/24/63/45/306246345.db2.gz YWDMFTKIKIRMLO-UHFFFAOYSA-N 1 1 345.403 1.461 20 5 EDBDMO CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739946 306246346 /nfs/dbraw/zinc/24/63/46/306246346.db2.gz YWDMFTKIKIRMLO-UHFFFAOYSA-N 1 1 345.403 1.461 20 5 EDBDMO CN(C(=O)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000562479297 306299684 /nfs/dbraw/zinc/29/96/84/306299684.db2.gz XDAPTGBSJYCVIW-CQSZACIVSA-N 1 1 334.376 1.110 20 5 EDBDMO 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UMQUIAGYBPZUSQ-CJNGLKHVSA-N 1 1 338.404 1.960 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000262104940 139251218 /nfs/dbraw/zinc/25/12/18/139251218.db2.gz ZNUWUGPTXOKZEA-AWEZNQCLSA-N 1 1 344.375 1.058 20 5 EDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000112364047 220314742 /nfs/dbraw/zinc/31/47/42/220314742.db2.gz RPANWTBENDTQPW-UHFFFAOYSA-N 1 1 329.422 1.746 20 5 EDBDMO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@@H+](C)C1 ZINC000153700031 224144836 /nfs/dbraw/zinc/14/48/36/224144836.db2.gz XFVLBZYPHASAOL-HNNXBMFYSA-N 1 1 343.387 1.947 20 5 EDBDMO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000496215273 255365357 /nfs/dbraw/zinc/36/53/57/255365357.db2.gz WVIQCNODDXAMHQ-CYBMUJFWSA-N 1 1 337.380 1.534 20 5 EDBDMO O=C(NCCC[NH+]1CCC(O)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000118722347 221173421 /nfs/dbraw/zinc/17/34/21/221173421.db2.gz RMQSJRDYNIHOLC-UHFFFAOYSA-N 1 1 347.375 1.048 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000119346401 221300212 /nfs/dbraw/zinc/30/02/12/221300212.db2.gz WMEPAYOLSQTVOS-ZIAGYGMSSA-N 1 1 335.408 1.433 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270402193 140093481 /nfs/dbraw/zinc/09/34/81/140093481.db2.gz VVVZABLBVKZHDK-UHFFFAOYSA-N 1 1 349.431 1.833 20 5 EDBDMO C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000270907684 140195865 /nfs/dbraw/zinc/19/58/65/140195865.db2.gz ATWVBWLORMKXRO-LBPRGKRZSA-N 1 1 343.387 1.505 20 5 EDBDMO C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000270907684 140195867 /nfs/dbraw/zinc/19/58/67/140195867.db2.gz ATWVBWLORMKXRO-LBPRGKRZSA-N 1 1 343.387 1.505 20 5 EDBDMO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000271300398 140273786 /nfs/dbraw/zinc/27/37/86/140273786.db2.gz IJADFFQEOAHGJQ-UHFFFAOYSA-N 1 1 347.400 1.767 20 5 EDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271395761 140290126 /nfs/dbraw/zinc/29/01/26/140290126.db2.gz LWZSAIGRXFBMEL-CYBMUJFWSA-N 1 1 343.387 1.675 20 5 EDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271395761 140290127 /nfs/dbraw/zinc/29/01/27/140290127.db2.gz LWZSAIGRXFBMEL-CYBMUJFWSA-N 1 1 343.387 1.675 20 5 EDBDMO O=C(N1CCCC1)[C@]1(O)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000331380889 141014267 /nfs/dbraw/zinc/01/42/67/141014267.db2.gz ISBDSQOOCRLQTK-HNNXBMFYSA-N 1 1 339.417 1.606 20 5 EDBDMO O=C(N1CCCC1)[C@]1(O)CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000331380889 141014268 /nfs/dbraw/zinc/01/42/68/141014268.db2.gz ISBDSQOOCRLQTK-HNNXBMFYSA-N 1 1 339.417 1.606 20 5 EDBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000340235594 142315177 /nfs/dbraw/zinc/31/51/77/142315177.db2.gz HQLCBKRCMFZEJR-HNNXBMFYSA-N 1 1 330.388 1.946 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1Cn1ccnn1 ZINC000344402397 142961821 /nfs/dbraw/zinc/96/18/21/142961821.db2.gz XYXWPNLBJVKMDW-UONOGXRCSA-N 1 1 347.375 1.091 20 5 EDBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000345156985 143059061 /nfs/dbraw/zinc/05/90/61/143059061.db2.gz AZFPGWVKJBAQFI-ZWNOBZJWSA-N 1 1 339.417 1.893 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000345156985 143059062 /nfs/dbraw/zinc/05/90/62/143059062.db2.gz AZFPGWVKJBAQFI-ZWNOBZJWSA-N 1 1 339.417 1.893 20 5 EDBDMO Cn1nccc1[C@H]1[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)CCC[N@H+]1C ZINC000345166022 143060242 /nfs/dbraw/zinc/06/02/42/143060242.db2.gz VOBFCEPDJWFFNH-IAQYHMDHSA-N 1 1 347.375 1.734 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346259934 143184484 /nfs/dbraw/zinc/18/44/84/143184484.db2.gz KGHSPBUSCBNWEI-VNHYZAJKSA-N 1 1 349.435 1.679 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](F)C[C@@H]1CO ZINC000346399775 143200810 /nfs/dbraw/zinc/20/08/10/143200810.db2.gz KAQYNTHDMFPPNF-CMPLNLGQSA-N 1 1 341.339 1.337 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](F)C[C@@H]1CO ZINC000346399775 143200811 /nfs/dbraw/zinc/20/08/11/143200811.db2.gz KAQYNTHDMFPPNF-CMPLNLGQSA-N 1 1 341.339 1.337 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347006820 143270434 /nfs/dbraw/zinc/27/04/34/143270434.db2.gz CRXOTMCCLXEOJL-COPLHBTASA-N 1 1 335.360 1.805 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347006820 143270435 /nfs/dbraw/zinc/27/04/35/143270435.db2.gz CRXOTMCCLXEOJL-COPLHBTASA-N 1 1 335.360 1.805 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1-c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000347325618 143308883 /nfs/dbraw/zinc/30/88/83/143308883.db2.gz HEKSMXIFOUQBJE-YGRLFVJLSA-N 1 1 334.336 1.304 20 5 EDBDMO C[N@H+]1CCC[C@H](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000416562021 304332051 /nfs/dbraw/zinc/33/20/51/304332051.db2.gz NSHJNJSKMAIAMU-GFCCVEGCSA-N 1 1 327.406 1.605 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000369855970 155206279 /nfs/dbraw/zinc/20/62/79/155206279.db2.gz LEZKKSXCPCSBET-DFBGVHRSSA-N 1 1 347.371 1.441 20 5 EDBDMO COC(=O)[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000369855970 155206282 /nfs/dbraw/zinc/20/62/82/155206282.db2.gz LEZKKSXCPCSBET-DFBGVHRSSA-N 1 1 347.371 1.441 20 5 EDBDMO Cc1cnn(C)c1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352722398 149130385 /nfs/dbraw/zinc/13/03/85/149130385.db2.gz BVWGCMQTAJNTLH-UHFFFAOYSA-N 1 1 338.389 1.200 20 5 EDBDMO C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000352874438 149199032 /nfs/dbraw/zinc/19/90/32/149199032.db2.gz VZBNMJGDZZQWNS-GFCCVEGCSA-N 1 1 327.406 1.451 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000354921338 150032901 /nfs/dbraw/zinc/03/29/01/150032901.db2.gz LHTSWBQTXVGAMT-CYBMUJFWSA-N 1 1 338.360 1.757 20 5 EDBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000355624707 150341675 /nfs/dbraw/zinc/34/16/75/150341675.db2.gz XPUSEUPCDYXNRM-CYBMUJFWSA-N 1 1 339.417 1.293 20 5 EDBDMO C[C@H]1C[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000355636851 150345830 /nfs/dbraw/zinc/34/58/30/150345830.db2.gz RTUGEPGISMVJKX-GXTWGEPZSA-N 1 1 341.433 1.539 20 5 EDBDMO CN1CC[NH+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000357494372 151047493 /nfs/dbraw/zinc/04/74/93/151047493.db2.gz NEPAEBDDBXQZGD-UHFFFAOYSA-N 1 1 338.383 1.030 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000357837743 151167642 /nfs/dbraw/zinc/16/76/42/151167642.db2.gz KUXRYQSXVXYLEL-RYUDHWBXSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CCO)C1 ZINC000357837743 151167645 /nfs/dbraw/zinc/16/76/45/151167645.db2.gz KUXRYQSXVXYLEL-RYUDHWBXSA-N 1 1 337.376 1.635 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1[N+](=O)[O-] ZINC000357885717 151184443 /nfs/dbraw/zinc/18/44/43/151184443.db2.gz 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CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000364706527 153309967 /nfs/dbraw/zinc/30/99/67/153309967.db2.gz NHNNEZLSRHFGPK-NSHDSACASA-N 1 1 329.360 1.708 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)o2)c1 ZINC000366400501 153805538 /nfs/dbraw/zinc/80/55/38/153805538.db2.gz KZZPPGFHAJYGKI-FICVDOATSA-N 1 1 329.356 1.962 20 5 EDBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@H]3CCCS(=O)(=O)C3)C2)c1 ZINC000367080624 154003297 /nfs/dbraw/zinc/00/32/97/154003297.db2.gz MPKRWQAAIYEHTO-OLZOCXBDSA-N 1 1 342.421 1.253 20 5 EDBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C2)c1 ZINC000367080624 154003300 /nfs/dbraw/zinc/00/33/00/154003300.db2.gz MPKRWQAAIYEHTO-OLZOCXBDSA-N 1 1 342.421 1.253 20 5 EDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367103574 154010023 /nfs/dbraw/zinc/01/00/23/154010023.db2.gz PAEZFPZYEAUMHO-FNQZAJIHSA-N 1 1 345.399 1.978 20 5 EDBDMO 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O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000374002413 157101795 /nfs/dbraw/zinc/10/17/95/157101795.db2.gz LGLWOVNAOCCCPI-LDBYLJPUSA-N 1 1 329.400 1.963 20 5 EDBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000374002413 157101798 /nfs/dbraw/zinc/10/17/98/157101798.db2.gz LGLWOVNAOCCCPI-LDBYLJPUSA-N 1 1 329.400 1.963 20 5 EDBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000374002413 157101800 /nfs/dbraw/zinc/10/18/00/157101800.db2.gz LGLWOVNAOCCCPI-LDBYLJPUSA-N 1 1 329.400 1.963 20 5 EDBDMO O=C1[C@H]([N@H+]2CCCC[C@@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374045119 157120294 /nfs/dbraw/zinc/12/02/94/157120294.db2.gz WEROYXAFXZQHAF-CZUORRHYSA-N 1 1 333.388 1.795 20 5 EDBDMO Cc1nccnc1N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374146947 157165209 /nfs/dbraw/zinc/16/52/09/157165209.db2.gz URFAGVFMEFBQNO-UHFFFAOYSA-N 1 1 343.387 1.894 20 5 EDBDMO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000352140325 162006161 /nfs/dbraw/zinc/00/61/61/162006161.db2.gz KRYJTJXKNQMGBG-CQSZACIVSA-N 1 1 343.387 1.878 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000067273307 287244761 /nfs/dbraw/zinc/24/47/61/287244761.db2.gz PZGVYYPVINIEQM-GQCTYLIASA-N 1 1 325.340 1.442 20 5 EDBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1[nH]ncc1[N+](=O)[O-] ZINC000159843953 225288603 /nfs/dbraw/zinc/28/86/03/225288603.db2.gz RZMDQVYPZHSOOV-UHFFFAOYSA-N 1 1 329.360 1.496 20 5 EDBDMO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000159843953 225288610 /nfs/dbraw/zinc/28/86/10/225288610.db2.gz RZMDQVYPZHSOOV-UHFFFAOYSA-N 1 1 329.360 1.496 20 5 EDBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000159843953 225288612 /nfs/dbraw/zinc/28/86/12/225288612.db2.gz RZMDQVYPZHSOOV-UHFFFAOYSA-N 1 1 329.360 1.496 20 5 EDBDMO C[NH2+]CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000122961072 287384972 /nfs/dbraw/zinc/38/49/72/287384972.db2.gz SAXMPKVZAAVIIL-UHFFFAOYSA-N 1 1 342.204 1.789 20 5 EDBDMO Cc1sc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000123099398 222215462 /nfs/dbraw/zinc/21/54/62/222215462.db2.gz SNARSNUGYJTBOV-JTQLQIEISA-N 1 1 345.446 1.727 20 5 EDBDMO COCC[N@@H+](CC(C)C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273088929 273028106 /nfs/dbraw/zinc/02/81/06/273028106.db2.gz ZLWQIPMIZFETHQ-CQSZACIVSA-N 1 1 326.393 1.939 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000278618794 268694938 /nfs/dbraw/zinc/69/49/38/268694938.db2.gz NDYYUDQLQJRBDP-CJNGLKHVSA-N 1 1 332.360 1.895 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000278618794 268694940 /nfs/dbraw/zinc/69/49/40/268694940.db2.gz NDYYUDQLQJRBDP-CJNGLKHVSA-N 1 1 332.360 1.895 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000274340758 273085619 /nfs/dbraw/zinc/08/56/19/273085619.db2.gz DRTDPRXHJAZHAF-NSHDSACASA-N 1 1 327.768 1.699 20 5 EDBDMO CN(C)c1cc(F)c(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000279446572 273298745 /nfs/dbraw/zinc/29/87/45/273298745.db2.gz NSBSUWNZUUAHCS-NSHDSACASA-N 1 1 338.383 1.966 20 5 EDBDMO Cc1cc(OCC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000280566323 273371998 /nfs/dbraw/zinc/37/19/98/273371998.db2.gz OHDMPJDALSFHQU-CYBMUJFWSA-N 1 1 333.388 1.883 20 5 EDBDMO Cc1c(C[N@H+]2CCC[C@](O)(Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000284458534 274209254 /nfs/dbraw/zinc/20/92/54/274209254.db2.gz CHRZPKUDWQWHGK-MRXNPFEDSA-N 1 1 331.376 1.522 20 5 EDBDMO Cc1cc(N2CC[C@](O)(c3c[nH]nn3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000284518107 274231264 /nfs/dbraw/zinc/23/12/64/274231264.db2.gz LPQGIYTWBUUPHY-MRXNPFEDSA-N 1 1 340.343 1.667 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000284658396 274282510 /nfs/dbraw/zinc/28/25/10/274282510.db2.gz NSLTZUSCXOXBKL-RYUDHWBXSA-N 1 1 325.340 1.525 20 5 EDBDMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000284664599 274285011 /nfs/dbraw/zinc/28/50/11/274285011.db2.gz QJTLGQVTSZJRBF-NWDGAFQWSA-N 1 1 341.339 1.144 20 5 EDBDMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000284673325 274288861 /nfs/dbraw/zinc/28/88/61/274288861.db2.gz RCEQNFDZTBURIW-LSDHHAIUSA-N 1 1 347.371 1.874 20 5 EDBDMO O=C1[C@@H](N2CC[N@H+]3CCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246053447 275027729 /nfs/dbraw/zinc/02/77/29/275027729.db2.gz WIVHVFHFPCOHCC-HOTGVXAUSA-N 1 1 330.388 1.480 20 5 EDBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000266293083 276074628 /nfs/dbraw/zinc/07/46/28/276074628.db2.gz MAWLHZYVORHLHD-LLVKDONJSA-N 1 1 345.396 1.696 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000102183758 276130676 /nfs/dbraw/zinc/13/06/76/276130676.db2.gz BPLILVUPEQECHH-UHFFFAOYSA-N 1 1 327.406 1.666 20 5 EDBDMO CC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000359935729 276230109 /nfs/dbraw/zinc/23/01/09/276230109.db2.gz CZFZENBBCSRVEP-JTQLQIEISA-N 1 1 333.797 1.621 20 5 EDBDMO CC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000359935729 276230111 /nfs/dbraw/zinc/23/01/11/276230111.db2.gz CZFZENBBCSRVEP-JTQLQIEISA-N 1 1 333.797 1.621 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000192919722 277198422 /nfs/dbraw/zinc/19/84/22/277198422.db2.gz BEFZUFHURQABFN-AOOOYVTPSA-N 1 1 345.808 1.430 20 5 EDBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000360947413 278299324 /nfs/dbraw/zinc/29/93/24/278299324.db2.gz UNNVWQAJVZISLW-NSHDSACASA-N 1 1 330.344 1.855 20 5 EDBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000268117240 288132989 /nfs/dbraw/zinc/13/29/89/288132989.db2.gz AEGPJQQCEUPGLU-ZYHUDNBSSA-N 1 1 325.390 1.356 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000268117240 288132990 /nfs/dbraw/zinc/13/29/90/288132990.db2.gz AEGPJQQCEUPGLU-ZYHUDNBSSA-N 1 1 325.390 1.356 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000182795176 281021980 /nfs/dbraw/zinc/02/19/80/281021980.db2.gz PQRDEANXWWPLOO-RYUDHWBXSA-N 1 1 327.406 1.588 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000182795176 281021981 /nfs/dbraw/zinc/02/19/81/281021981.db2.gz PQRDEANXWWPLOO-RYUDHWBXSA-N 1 1 327.406 1.588 20 5 EDBDMO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1[NH+]1CCOCC1 ZINC000287866947 288341859 /nfs/dbraw/zinc/34/18/59/288341859.db2.gz NDXZXKSHPNJPGA-PWSUYJOCSA-N 1 1 349.416 1.756 20 5 EDBDMO O=C(C[N@@H+]1CC[C@@H](n2cccn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000291619776 289128048 /nfs/dbraw/zinc/12/80/48/289128048.db2.gz CTJHWEVPLOLAIW-OAHLLOKOSA-N 1 1 341.371 1.627 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H](n2cccn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000291619776 289128049 /nfs/dbraw/zinc/12/80/49/289128049.db2.gz CTJHWEVPLOLAIW-OAHLLOKOSA-N 1 1 341.371 1.627 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292225323 289293594 /nfs/dbraw/zinc/29/35/94/289293594.db2.gz VGDHETGXSDMEAM-CXAGYDPISA-N 1 1 332.404 1.949 20 5 EDBDMO [NH3+]CC(F)(F)CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418520941 304508059 /nfs/dbraw/zinc/50/80/59/304508059.db2.gz FKGRDHYGOYPLPK-UHFFFAOYSA-N 1 1 343.334 1.020 20 5 EDBDMO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000456206766 447325008 /nfs/dbraw/zinc/32/50/08/447325008.db2.gz FKJMNXVQDPCVJP-OKILXGFUSA-N 1 1 335.404 1.441 20 5 EDBDMO Cc1ccnc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1[N+](=O)[O-] ZINC000301331562 303673473 /nfs/dbraw/zinc/67/34/73/303673473.db2.gz BFNKFWXTVYKKHH-UHFFFAOYSA-N 1 1 343.391 1.481 20 5 EDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000440832144 305213075 /nfs/dbraw/zinc/21/30/75/305213075.db2.gz KQDOAKSRMBZRDI-GFCCVEGCSA-N 1 1 327.406 1.666 20 5 EDBDMO 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C[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000150902581 441971727 /nfs/dbraw/zinc/97/17/27/441971727.db2.gz QOBLIBCUPUMGCS-UHFFFAOYSA-N 1 1 337.376 1.857 20 5 EDBDMO C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@@H+](C)Cc1ccccc1 ZINC000119993796 441990133 /nfs/dbraw/zinc/99/01/33/441990133.db2.gz RLSWTKPMKRQROZ-GFCCVEGCSA-N 1 1 331.376 1.579 20 5 EDBDMO COCC[N@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162458294 442094916 /nfs/dbraw/zinc/09/49/16/442094916.db2.gz IECJHGIHEMETJO-UHFFFAOYSA-N 1 1 333.182 1.798 20 5 EDBDMO COCC[N@@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162458294 442094919 /nfs/dbraw/zinc/09/49/19/442094919.db2.gz IECJHGIHEMETJO-UHFFFAOYSA-N 1 1 333.182 1.798 20 5 EDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000162148485 442068531 /nfs/dbraw/zinc/06/85/31/442068531.db2.gz IOXZVUWDZQCCSM-LLVKDONJSA-N 1 1 343.405 1.366 20 5 EDBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000176238682 442198385 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C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000135879625 442638647 /nfs/dbraw/zinc/63/86/47/442638647.db2.gz DPVGMVPCMHZVEG-GHMZBOCLSA-N 1 1 325.340 1.261 20 5 EDBDMO CC[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000135944339 442642400 /nfs/dbraw/zinc/64/24/00/442642400.db2.gz DVIMYCQODPBXHL-YPMHNXCESA-N 1 1 339.367 1.651 20 5 EDBDMO CC[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000135944339 442642405 /nfs/dbraw/zinc/64/24/05/442642405.db2.gz DVIMYCQODPBXHL-YPMHNXCESA-N 1 1 339.367 1.651 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000186812797 442616496 /nfs/dbraw/zinc/61/64/96/442616496.db2.gz LVXNUPUWLIMFNT-OAHLLOKOSA-N 1 1 342.355 1.824 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000186812797 442616502 /nfs/dbraw/zinc/61/65/02/442616502.db2.gz LVXNUPUWLIMFNT-OAHLLOKOSA-N 1 1 342.355 1.824 20 5 EDBDMO 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ZINC000193610689 442759401 /nfs/dbraw/zinc/75/94/01/442759401.db2.gz XNOIMUPKAASJTM-BETUJISGSA-N 1 1 348.403 1.425 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000268167515 442881053 /nfs/dbraw/zinc/88/10/53/442881053.db2.gz DQYDQZADHVOIQB-OCCSQVGLSA-N 1 1 332.404 1.630 20 5 EDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000268186567 442889752 /nfs/dbraw/zinc/88/97/52/442889752.db2.gz MFPVNLHOHRJTOF-YMTOWFKASA-N 1 1 329.360 1.684 20 5 EDBDMO Cc1c(F)cc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000248478097 442896159 /nfs/dbraw/zinc/89/61/59/442896159.db2.gz PIBPYVUJLSSTNN-NSHDSACASA-N 1 1 343.380 1.511 20 5 EDBDMO C[C@@H](O)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)CO ZINC000248975321 442941549 /nfs/dbraw/zinc/94/15/49/442941549.db2.gz UHBJEJIWCUTFLQ-GHMZBOCLSA-N 1 1 336.348 1.208 20 5 EDBDMO C[C@@H](O)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)CO ZINC000248975321 442941552 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COc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000338288324 444612657 /nfs/dbraw/zinc/61/26/57/444612657.db2.gz WZSJFBLIZOIATP-LLVKDONJSA-N 1 1 330.348 1.475 20 5 EDBDMO COc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000338288324 444612659 /nfs/dbraw/zinc/61/26/59/444612659.db2.gz WZSJFBLIZOIATP-LLVKDONJSA-N 1 1 330.348 1.475 20 5 EDBDMO CC[C@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000341026061 444639821 /nfs/dbraw/zinc/63/98/21/444639821.db2.gz ILMZKKKRXOFLNV-FZMZJTMJSA-N 1 1 335.360 1.596 20 5 EDBDMO C[C@@H]1[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343998207 444718257 /nfs/dbraw/zinc/71/82/57/444718257.db2.gz VBDXJWJMFVWXHF-RISCZKNCSA-N 1 1 327.406 1.497 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000344026567 444737288 /nfs/dbraw/zinc/73/72/88/444737288.db2.gz GZOCCNTUVHPFCJ-PWSUYJOCSA-N 1 1 343.405 1.364 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000344026567 444737291 /nfs/dbraw/zinc/73/72/91/444737291.db2.gz GZOCCNTUVHPFCJ-PWSUYJOCSA-N 1 1 343.405 1.364 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344034167 444741869 /nfs/dbraw/zinc/74/18/69/444741869.db2.gz GPMHRXSMVXMBKH-NORZTCDRSA-N 1 1 349.387 1.635 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344034167 444741871 /nfs/dbraw/zinc/74/18/71/444741871.db2.gz GPMHRXSMVXMBKH-NORZTCDRSA-N 1 1 349.387 1.635 20 5 EDBDMO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000338594556 444763744 /nfs/dbraw/zinc/76/37/44/444763744.db2.gz AEZVXGGIEIZIGX-LBPRGKRZSA-N 1 1 345.359 1.792 20 5 EDBDMO O=C(NCCC[NH+]1CCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342869156 444904987 /nfs/dbraw/zinc/90/49/87/444904987.db2.gz UBPYCPJOXNVSFO-UHFFFAOYSA-N 1 1 332.360 1.528 20 5 EDBDMO COCC[N@@H+](C)CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342933136 444950375 /nfs/dbraw/zinc/95/03/75/444950375.db2.gz XENJVSCEHAQVGO-UHFFFAOYSA-N 1 1 334.376 1.774 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1C[C@@H](OC)C[N@@H+]1C ZINC000344543354 445048051 /nfs/dbraw/zinc/04/80/51/445048051.db2.gz VXWDFMMPFIXJJZ-CHWSQXEVSA-N 1 1 337.376 1.395 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000339134765 445049692 /nfs/dbraw/zinc/04/96/92/445049692.db2.gz KPISWHPLJKKZHQ-LBPRGKRZSA-N 1 1 334.376 1.572 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000339134765 445049694 /nfs/dbraw/zinc/04/96/94/445049694.db2.gz KPISWHPLJKKZHQ-LBPRGKRZSA-N 1 1 334.376 1.572 20 5 EDBDMO COc1cc(OCC(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330598358 445054733 /nfs/dbraw/zinc/05/47/33/445054733.db2.gz SVBALYVUWCYYDG-VXGBXAGGSA-N 1 1 337.376 1.533 20 5 EDBDMO C[N@H+]1CCO[C@@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000343281290 445176286 /nfs/dbraw/zinc/17/62/86/445176286.db2.gz NRRITHSUTGFROG-ZIAGYGMSSA-N 1 1 345.359 1.554 20 5 EDBDMO Cc1cc(C(=O)NCC(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000330817027 445152284 /nfs/dbraw/zinc/15/22/84/445152284.db2.gz RFFMTJWSQNMNPO-OLZOCXBDSA-N 1 1 348.403 1.184 20 5 EDBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000343505328 445235357 /nfs/dbraw/zinc/23/53/57/445235357.db2.gz DKFKEKMZOHEWLZ-CHWSQXEVSA-N 1 1 335.408 1.612 20 5 EDBDMO C[C@H]1[C@@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCC[N@H+]1C ZINC000343561614 445244383 /nfs/dbraw/zinc/24/43/83/445244383.db2.gz QHIJLJZDTIKIFY-JQWIXIFHSA-N 1 1 348.359 1.102 20 5 EDBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351737096 445299256 /nfs/dbraw/zinc/29/92/56/445299256.db2.gz NVPDOIDMBLTDBF-LLVKDONJSA-N 1 1 325.344 1.101 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000351982872 445416895 /nfs/dbraw/zinc/41/68/95/445416895.db2.gz PGUIFTKIGXKGDN-LBPRGKRZSA-N 1 1 339.417 1.727 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000351982872 445416897 /nfs/dbraw/zinc/41/68/97/445416897.db2.gz PGUIFTKIGXKGDN-LBPRGKRZSA-N 1 1 339.417 1.727 20 5 EDBDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000355105075 445444321 /nfs/dbraw/zinc/44/43/21/445444321.db2.gz VKZCCCYSOFDARJ-CYBMUJFWSA-N 1 1 334.376 1.510 20 5 EDBDMO O=C([C@@H]1CCCc2[nH+]ccn21)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000355954552 445543822 /nfs/dbraw/zinc/54/38/22/445543822.db2.gz CEDPBEGUMZPNEZ-HNNXBMFYSA-N 1 1 342.355 1.959 20 5 EDBDMO Cn1ccnc1[C@H]([NH2+]C[C@H](O)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000353631812 445683103 /nfs/dbraw/zinc/68/31/03/445683103.db2.gz NAEJEFFXAQWBKD-CWRNSKLLSA-N 1 1 346.387 1.405 20 5 EDBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000349812269 445686484 /nfs/dbraw/zinc/68/64/84/445686484.db2.gz OVYABNDHDSZTET-ZDUSSCGKSA-N 1 1 343.449 1.785 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000360332444 445698245 /nfs/dbraw/zinc/69/82/45/445698245.db2.gz DVMOCMIUZKKSAV-MLGOLLRUSA-N 1 1 347.371 1.869 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000360332444 445698249 /nfs/dbraw/zinc/69/82/49/445698249.db2.gz DVMOCMIUZKKSAV-MLGOLLRUSA-N 1 1 347.371 1.869 20 5 EDBDMO Cn1ccc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000353683407 445705264 /nfs/dbraw/zinc/70/52/64/445705264.db2.gz PUTKAVRZBHRYMN-INIZCTEOSA-N 1 1 340.387 1.984 20 5 EDBDMO C[C@H]1C(=O)NCCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000349948977 445730901 /nfs/dbraw/zinc/73/09/01/445730901.db2.gz XZILCELOBSTBRL-NSHDSACASA-N 1 1 348.359 1.103 20 5 EDBDMO C[C@H]1C(=O)NCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000349948977 445730906 /nfs/dbraw/zinc/73/09/06/445730906.db2.gz XZILCELOBSTBRL-NSHDSACASA-N 1 1 348.359 1.103 20 5 EDBDMO COC(=O)COc1ccc(C[NH2+]Cc2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000353756660 445740286 /nfs/dbraw/zinc/74/02/86/445740286.db2.gz GEEBRIVVIHXFEM-UHFFFAOYSA-N 1 1 349.318 1.971 20 5 EDBDMO CNc1c(C(=O)NCCC[N@@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000356500123 445825350 /nfs/dbraw/zinc/82/53/50/445825350.db2.gz CQUMTDIWVSTLHI-UHFFFAOYSA-N 1 1 337.424 1.250 20 5 EDBDMO CNc1c(C(=O)NCCCN(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000356500123 445825355 /nfs/dbraw/zinc/82/53/55/445825355.db2.gz CQUMTDIWVSTLHI-UHFFFAOYSA-N 1 1 337.424 1.250 20 5 EDBDMO COc1ccc(OCC[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000361587839 445834919 /nfs/dbraw/zinc/83/49/19/445834919.db2.gz XBRDODWIUQRPLV-TZMCWYRMSA-N 1 1 340.376 1.454 20 5 EDBDMO Cc1nn(C)c(N2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000361816146 445970169 /nfs/dbraw/zinc/97/01/69/445970169.db2.gz UGDHTUHJUPVNLH-CQSZACIVSA-N 1 1 336.440 1.101 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354283820 446081217 /nfs/dbraw/zinc/08/12/17/446081217.db2.gz UPWGMLBALDJTTJ-LLVKDONJSA-N 1 1 325.390 1.418 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000354283820 446081221 /nfs/dbraw/zinc/08/12/21/446081221.db2.gz UPWGMLBALDJTTJ-LLVKDONJSA-N 1 1 325.390 1.418 20 5 EDBDMO COC(=O)[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000373185371 446085117 /nfs/dbraw/zinc/08/51/17/446085117.db2.gz ZPCRCTHUJBREMC-HUUCEWRRSA-N 1 1 334.372 1.903 20 5 EDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000354397462 446175618 /nfs/dbraw/zinc/17/56/18/446175618.db2.gz OFFKQSVPKZDOKS-OLZOCXBDSA-N 1 1 336.392 1.088 20 5 EDBDMO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000351578504 446175842 /nfs/dbraw/zinc/17/58/42/446175842.db2.gz CCYIBDHLSLYKMR-RNCFNFMXSA-N 1 1 338.339 1.271 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000362288669 446307376 /nfs/dbraw/zinc/30/73/76/446307376.db2.gz QMPOEDLSPCDXAE-IAQYHMDHSA-N 1 1 348.359 1.978 20 5 EDBDMO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365726844 446317325 /nfs/dbraw/zinc/31/73/25/446317325.db2.gz PHANYKUQLSMZGW-TWMKSMIVSA-N 1 1 329.400 1.632 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365726844 446317328 /nfs/dbraw/zinc/31/73/28/446317328.db2.gz PHANYKUQLSMZGW-TWMKSMIVSA-N 1 1 329.400 1.632 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365726844 446317329 /nfs/dbraw/zinc/31/73/29/446317329.db2.gz PHANYKUQLSMZGW-TWMKSMIVSA-N 1 1 329.400 1.632 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000366865835 446388581 /nfs/dbraw/zinc/38/85/81/446388581.db2.gz DMKUNMOSFZVFHG-UKRRQHHQSA-N 1 1 346.387 1.442 20 5 EDBDMO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370830731 446466046 /nfs/dbraw/zinc/46/60/46/446466046.db2.gz OVLSPTOCLMZRFD-ZDUSSCGKSA-N 1 1 336.392 1.428 20 5 EDBDMO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370830731 446466053 /nfs/dbraw/zinc/46/60/53/446466053.db2.gz OVLSPTOCLMZRFD-ZDUSSCGKSA-N 1 1 336.392 1.428 20 5 EDBDMO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370830980 446466558 /nfs/dbraw/zinc/46/65/58/446466558.db2.gz QVZBDLSCVWHAQG-QGZVFWFLSA-N 1 1 346.431 1.835 20 5 EDBDMO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370830980 446466564 /nfs/dbraw/zinc/46/65/64/446466564.db2.gz QVZBDLSCVWHAQG-QGZVFWFLSA-N 1 1 346.431 1.835 20 5 EDBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000371132185 446645778 /nfs/dbraw/zinc/64/57/78/446645778.db2.gz VFAJZHOTJWXFLD-LBPRGKRZSA-N 1 1 332.364 1.241 20 5 EDBDMO COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000412072216 446833676 /nfs/dbraw/zinc/83/36/76/446833676.db2.gz JTMUMQBFNPFXID-LBPRGKRZSA-N 1 1 340.401 1.941 20 5 EDBDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000412072216 446833681 /nfs/dbraw/zinc/83/36/81/446833681.db2.gz JTMUMQBFNPFXID-LBPRGKRZSA-N 1 1 340.401 1.941 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420928519 446899466 /nfs/dbraw/zinc/89/94/66/446899466.db2.gz AOPRJKQOZATDNP-RYUDHWBXSA-N 1 1 337.376 1.492 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420928519 446899470 /nfs/dbraw/zinc/89/94/70/446899470.db2.gz AOPRJKQOZATDNP-RYUDHWBXSA-N 1 1 337.376 1.492 20 5 EDBDMO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000377039004 446878256 /nfs/dbraw/zinc/87/82/56/446878256.db2.gz CWUXJLXDVQTRKF-HCWSGVFWSA-N 1 1 335.326 1.573 20 5 EDBDMO C[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000420945733 446918324 /nfs/dbraw/zinc/91/83/24/446918324.db2.gz RYFLNBQFWBKBFM-CHWSQXEVSA-N 1 1 333.388 1.434 20 5 EDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000420945733 446918329 /nfs/dbraw/zinc/91/83/29/446918329.db2.gz RYFLNBQFWBKBFM-CHWSQXEVSA-N 1 1 333.388 1.434 20 5 EDBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000420975481 446947821 /nfs/dbraw/zinc/94/78/21/446947821.db2.gz RCEGHPXFTPKGCA-UHFFFAOYSA-N 1 1 341.433 1.995 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377173167 446970214 /nfs/dbraw/zinc/97/02/14/446970214.db2.gz CRKMUVHYJYFABD-KGLIPLIRSA-N 1 1 334.376 1.888 20 5 EDBDMO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000368664062 447014737 /nfs/dbraw/zinc/01/47/37/447014737.db2.gz UAAWQZOQJODAHG-ZBFHGGJFSA-N 1 1 333.388 1.574 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](O)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000421011521 446986433 /nfs/dbraw/zinc/98/64/33/446986433.db2.gz JCZVRFZIYDKSPW-NWDGAFQWSA-N 1 1 337.376 1.777 20 5 EDBDMO CCn1cnc2c(c1=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000375724562 447003562 /nfs/dbraw/zinc/00/35/62/447003562.db2.gz XCTIJRMWCRWHID-UHFFFAOYSA-N 1 1 344.371 1.738 20 5 EDBDMO CCn1cnc2c(c1=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000375724562 447003567 /nfs/dbraw/zinc/00/35/67/447003567.db2.gz XCTIJRMWCRWHID-UHFFFAOYSA-N 1 1 344.371 1.738 20 5 EDBDMO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ncn(C)n1 ZINC000444699172 447124414 /nfs/dbraw/zinc/12/44/14/447124414.db2.gz DKZUYTWKYVKZQD-SNVBAGLBSA-N 1 1 346.347 1.372 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421309167 447122641 /nfs/dbraw/zinc/12/26/41/447122641.db2.gz RAMRQXKWTBWKRU-ZDUSSCGKSA-N 1 1 348.403 1.703 20 5 EDBDMO CNc1nc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000456027399 447287220 /nfs/dbraw/zinc/28/72/20/447287220.db2.gz GRXOXZATPALDSQ-LLVKDONJSA-N 1 1 333.392 1.588 20 5 EDBDMO CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369016851 447265100 /nfs/dbraw/zinc/26/51/00/447265100.db2.gz LNOMQPDGJZBTBB-OAHLLOKOSA-N 1 1 343.387 1.988 20 5 EDBDMO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CCC[N@@H+]3CCCO)c21 ZINC000450598787 447534089 /nfs/dbraw/zinc/53/40/89/447534089.db2.gz RELDMIHNURVZBP-LBPRGKRZSA-N 1 1 331.376 1.797 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000416305850 447565193 /nfs/dbraw/zinc/56/51/93/447565193.db2.gz JGOCBGHGXRFZHM-UONOGXRCSA-N 1 1 335.404 1.441 20 5 EDBDMO CC[N@@H+](CCNC(=O)c1nn(C)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000427267078 447572331 /nfs/dbraw/zinc/57/23/31/447572331.db2.gz XDFRZXIFSNPVFU-UHFFFAOYSA-N 1 1 337.302 1.332 20 5 EDBDMO [NH3+]CC(F)(F)CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420236162 447682027 /nfs/dbraw/zinc/68/20/27/447682027.db2.gz IGUJANQDIRQRSB-UHFFFAOYSA-N 1 1 344.318 1.073 20 5 EDBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000532015127 448182831 /nfs/dbraw/zinc/18/28/31/448182831.db2.gz UAYHNPPWZRKPPL-LLVKDONJSA-N 1 1 342.421 1.384 20 5 EDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000591004643 448227798 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UTIOOYFAJMVFSM-CQSZACIVSA-N 1 1 343.387 1.947 20 5 EDBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591146488 448272787 /nfs/dbraw/zinc/27/27/87/448272787.db2.gz BTPAQJWFXHDMNC-CYBMUJFWSA-N 1 1 337.399 1.735 20 5 EDBDMO CCN1CC[NH+](CCCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000567104312 448613765 /nfs/dbraw/zinc/61/37/65/448613765.db2.gz SBEZMTWETUWKDX-HNNXBMFYSA-N 1 1 348.447 1.842 20 5 EDBDMO COC(=O)c1cc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)cc([N+](=O)[O-])c1 ZINC000566914815 448584198 /nfs/dbraw/zinc/58/41/98/448584198.db2.gz KARWJPYBKMJYDB-NSHDSACASA-N 1 1 343.286 1.061 20 5 EDBDMO COc1ccc(C[NH+]2CCC(N3CN=NC3=O)CC2)cc1[N+](=O)[O-] ZINC000573263915 448584090 /nfs/dbraw/zinc/58/40/90/448584090.db2.gz NSBNIALNZJVZRN-UHFFFAOYSA-N 1 1 333.348 1.738 20 5 EDBDMO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000578950050 448674091 /nfs/dbraw/zinc/67/40/91/448674091.db2.gz QCJNQOXNRQVISS-IJEWVQPXSA-N 1 1 339.440 1.110 20 5 EDBDMO CC(C)Oc1nc(N[C@@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000584790896 448635314 /nfs/dbraw/zinc/63/53/14/448635314.db2.gz XAERCXRBMVCKSW-CYBMUJFWSA-N 1 1 338.408 2.036 20 5 EDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000578950050 448674098 /nfs/dbraw/zinc/67/40/98/448674098.db2.gz QCJNQOXNRQVISS-IJEWVQPXSA-N 1 1 339.440 1.110 20 5 EDBDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3ccc([N+](=O)[O-])cn3)n1)OC2 ZINC000579289212 448759288 /nfs/dbraw/zinc/75/92/88/448759288.db2.gz GDTKYFRHUNAKBY-WFASDCNBSA-N 1 1 331.332 1.966 20 5 EDBDMO O=C(CC[N@H+]1CCC[C@]12CCNC2=O)Nc1ccccc1[N+](=O)[O-] ZINC000519646476 448810490 /nfs/dbraw/zinc/81/04/90/448810490.db2.gz LRDWMXNSPHVMPZ-MRXNPFEDSA-N 1 1 332.360 1.278 20 5 EDBDMO CCCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592300255 448779283 /nfs/dbraw/zinc/77/92/83/448779283.db2.gz IGPXJGICPIAFQI-CQSZACIVSA-N 1 1 348.403 1.784 20 5 EDBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCc2c[nH+]cn2C1 ZINC000588067790 448866193 /nfs/dbraw/zinc/86/61/93/448866193.db2.gz PSWGSARNZGNVCC-SNVBAGLBSA-N 1 1 336.373 1.622 20 5 EDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000520606165 448916763 /nfs/dbraw/zinc/91/67/63/448916763.db2.gz KWCUPWBOYAXGSY-XQQFMLRXSA-N 1 1 347.419 2.049 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c1 ZINC000589494337 449025201 /nfs/dbraw/zinc/02/52/01/449025201.db2.gz KBOKILZLZWEEFV-CYBMUJFWSA-N 1 1 349.387 1.730 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CNC(C)=O)C2)c1 ZINC000589494337 449025204 /nfs/dbraw/zinc/02/52/04/449025204.db2.gz KBOKILZLZWEEFV-CYBMUJFWSA-N 1 1 349.387 1.730 20 5 EDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589930184 449084316 /nfs/dbraw/zinc/08/43/16/449084316.db2.gz UBCRTMUSUQNXQY-CABZTGNLSA-N 1 1 345.808 1.573 20 5 EDBDMO COc1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000595729522 449134352 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NXFCVTLMVOLHNF-NHYWBVRUSA-N 1 1 334.376 1.178 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000590044778 449099306 /nfs/dbraw/zinc/09/93/06/449099306.db2.gz NJIDQYMUTSZNDL-CJNGLKHVSA-N 1 1 328.372 1.712 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595760942 449152863 /nfs/dbraw/zinc/15/28/63/449152863.db2.gz VPOVBEFUKCZSSG-PXAZEXFGSA-N 1 1 349.387 1.900 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000590446592 449166762 /nfs/dbraw/zinc/16/67/62/449166762.db2.gz UYKMYEHMMUMJSZ-WBMJQRKESA-N 1 1 341.371 1.557 20 5 EDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1CCO ZINC000593732624 449167496 /nfs/dbraw/zinc/16/74/96/449167496.db2.gz PLYLXIIBSRFWLJ-AWEZNQCLSA-N 1 1 339.367 1.239 20 5 EDBDMO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)[C@H]1O ZINC000595744207 449142960 /nfs/dbraw/zinc/14/29/60/449142960.db2.gz VVBUHSHCTAZUIP-KOZAUXTDSA-N 1 1 333.388 1.649 20 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ZINC000595757548 449150188 /nfs/dbraw/zinc/15/01/88/449150188.db2.gz KGUDLOAWUWURGR-SJCJKPOMSA-N 1 1 349.387 1.900 20 5 EDBDMO O=C1CCCN1C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595831882 449196047 /nfs/dbraw/zinc/19/60/47/449196047.db2.gz MJPTZYSJXUUCGB-CQSZACIVSA-N 1 1 333.388 1.918 20 5 EDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595834909 449197792 /nfs/dbraw/zinc/19/77/92/449197792.db2.gz SXOZZZPONKGQOV-STQMWFEESA-N 1 1 349.387 1.900 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595836734 449198974 /nfs/dbraw/zinc/19/89/74/449198974.db2.gz YTSRWZNJYIXMOX-QWHCGFSZSA-N 1 1 349.387 1.900 20 5 EDBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595836734 449198977 /nfs/dbraw/zinc/19/89/77/449198977.db2.gz YTSRWZNJYIXMOX-QWHCGFSZSA-N 1 1 349.387 1.900 20 5 EDBDMO C[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000611201648 449213160 /nfs/dbraw/zinc/21/31/60/449213160.db2.gz 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CC(C)C[N@@H+](C)CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000593479575 449302436 /nfs/dbraw/zinc/30/24/36/449302436.db2.gz GMCKULVEVBVJEO-UHFFFAOYSA-N 1 1 344.437 1.632 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000598342757 449356621 /nfs/dbraw/zinc/35/66/21/449356621.db2.gz PXAHGCBOJLBRRF-ZDUSSCGKSA-N 1 1 343.387 1.995 20 5 EDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000598341833 449357315 /nfs/dbraw/zinc/35/73/15/449357315.db2.gz GQFKVAAIWLVPIW-AWEZNQCLSA-N 1 1 343.387 1.995 20 5 EDBDMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593531236 449328739 /nfs/dbraw/zinc/32/87/39/449328739.db2.gz PNVGFQLJTBBGTG-LLVKDONJSA-N 1 1 328.394 1.143 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598453529 449403246 /nfs/dbraw/zinc/40/32/46/449403246.db2.gz RKVIVVLVWSULNE-KRWDZBQOSA-N 1 1 347.415 1.585 20 5 EDBDMO CN(CCCN1CC[NH+](C)CC1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611704725 449387794 /nfs/dbraw/zinc/38/77/94/449387794.db2.gz DAPSRCPKSJGOQP-UHFFFAOYSA-N 1 1 344.419 1.612 20 5 EDBDMO C[C@@H](CO)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000614185962 449494988 /nfs/dbraw/zinc/49/49/88/449494988.db2.gz YHDPUODKPGOAEF-GFCCVEGCSA-N 1 1 333.392 1.612 20 5 EDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600809417 449556580 /nfs/dbraw/zinc/55/65/80/449556580.db2.gz YFVALOIJZNTZPZ-LBPRGKRZSA-N 1 1 347.293 1.410 20 5 EDBDMO C[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000594749366 449665725 /nfs/dbraw/zinc/66/57/25/449665725.db2.gz SNVCILCEGVZFLW-RYUDHWBXSA-N 1 1 342.421 1.389 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)C1 ZINC000602647379 449726857 /nfs/dbraw/zinc/72/68/57/449726857.db2.gz HVYFJIGOFFJMAH-NEPJUHHUSA-N 1 1 334.376 1.623 20 5 EDBDMO C[N@H+]1CCCC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599140610 449760158 /nfs/dbraw/zinc/76/01/58/449760158.db2.gz 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HAEIYUBTVMLJRV-LBPRGKRZSA-N 1 1 348.359 1.289 20 5 EDBDMO COC[C@H]1CC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000739868923 579261809 /nfs/dbraw/zinc/26/18/09/579261809.db2.gz HAEIYUBTVMLJRV-LBPRGKRZSA-N 1 1 348.359 1.289 20 5 EDBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000749799603 579740409 /nfs/dbraw/zinc/74/04/09/579740409.db2.gz XUYFGCJCAUKRTI-NEPJUHHUSA-N 1 1 345.355 1.507 20 5 EDBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000749799603 579740411 /nfs/dbraw/zinc/74/04/11/579740411.db2.gz XUYFGCJCAUKRTI-NEPJUHHUSA-N 1 1 345.355 1.507 20 5 EDBDMO C[N@@H+](C[C@@H]1CCOC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000749967422 579746081 /nfs/dbraw/zinc/74/60/81/579746081.db2.gz SLBXYVZQTJMLLV-LBPRGKRZSA-N 1 1 348.359 1.289 20 5 EDBDMO O=C([C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000750069632 579750996 /nfs/dbraw/zinc/75/09/96/579750996.db2.gz XSRGFHWBAIKEFB-RDJZCZTQSA-N 1 1 347.415 1.963 20 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580421976 /nfs/dbraw/zinc/42/19/76/580421976.db2.gz GKTCFTHPCNSSII-QZTJIDSGSA-N 1 1 349.431 1.815 20 5 EDBDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580635 580422027 /nfs/dbraw/zinc/42/20/27/580422027.db2.gz XWPOJVKJSJCINF-HZPDHXFCSA-N 1 1 335.404 1.961 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000779878823 580500742 /nfs/dbraw/zinc/50/07/42/580500742.db2.gz DYLFWPITHLTXOG-SNVBAGLBSA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000779878823 580500743 /nfs/dbraw/zinc/50/07/43/580500743.db2.gz DYLFWPITHLTXOG-SNVBAGLBSA-N 1 1 347.824 1.929 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000780867233 580535883 /nfs/dbraw/zinc/53/58/83/580535883.db2.gz NSOBKHQYWBCGMF-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO C/C(=C\C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000781677517 580554453 /nfs/dbraw/zinc/55/44/53/580554453.db2.gz VLIYBJTXIPXBLJ-WYMLVPIESA-N 1 1 347.415 1.913 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000781995990 580562994 /nfs/dbraw/zinc/56/29/94/580562994.db2.gz SMWRGWAHGNMUAK-WBMJQRKESA-N 1 1 346.387 1.546 20 5 EDBDMO CC(C)c1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000784147835 580614428 /nfs/dbraw/zinc/61/44/28/580614428.db2.gz ZECKKTTXPLONRT-UHFFFAOYSA-N 1 1 348.403 1.398 20 5 EDBDMO Cc1nn(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000788375633 580719159 /nfs/dbraw/zinc/71/91/59/580719159.db2.gz AGFBQHUMXZCNEY-LBPRGKRZSA-N 1 1 348.407 1.258 20 5 EDBDMO Cc1nn(C[N@H+](C)[C@@H](C)CN2CCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000788375633 580719160 /nfs/dbraw/zinc/71/91/60/580719160.db2.gz AGFBQHUMXZCNEY-LBPRGKRZSA-N 1 1 348.407 1.258 20 5 EDBDMO CO[C@H]1C[C@@H]([N@H+](C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000795673717 580933571 /nfs/dbraw/zinc/93/35/71/580933571.db2.gz GDEMEUQDIBKMCB-BETUJISGSA-N 1 1 334.376 1.904 20 5 EDBDMO CO[C@H]1C[C@@H]([N@@H+](C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000795673717 580933572 /nfs/dbraw/zinc/93/35/72/580933572.db2.gz GDEMEUQDIBKMCB-BETUJISGSA-N 1 1 334.376 1.904 20 5 EDBDMO CC(C)N1C(=O)CN(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800866342 581060357 /nfs/dbraw/zinc/06/03/57/581060357.db2.gz YGGZREZKMDIVKE-UHFFFAOYSA-N 1 1 334.376 1.699 20 5 EDBDMO CC(C)N1C(=O)CN(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800866342 581060358 /nfs/dbraw/zinc/06/03/58/581060358.db2.gz YGGZREZKMDIVKE-UHFFFAOYSA-N 1 1 334.376 1.699 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000892204532 590862173 /nfs/dbraw/zinc/86/21/73/590862173.db2.gz ZJWFZGHZRZBSNC-BXUZGUMPSA-N 1 1 334.376 1.449 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC1CC([NH+]2CCOCC2)C1 ZINC000894356255 591288462 /nfs/dbraw/zinc/28/84/62/591288462.db2.gz HPANMIVUDJHESZ-UHFFFAOYSA-N 1 1 346.362 1.979 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1C ZINC000896708631 591588586 /nfs/dbraw/zinc/58/85/86/591588586.db2.gz VOYWXHQPGDWOTD-CYBMUJFWSA-N 1 1 348.447 1.825 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000895247831 591681003 /nfs/dbraw/zinc/68/10/03/591681003.db2.gz WZWBACWHTGUWNP-ABAIWWIYSA-N 1 1 336.392 1.428 20 5 EDBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)c21 ZINC000897221635 591776651 /nfs/dbraw/zinc/77/66/51/591776651.db2.gz NYHXVZUEJMAKSQ-ZIAGYGMSSA-N 1 1 343.387 1.573 20 5 EDBDMO CO[C@H]1CC[C@H]1[N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000902635617 592033289 /nfs/dbraw/zinc/03/32/89/592033289.db2.gz BAUUQMINLIGKKG-KGLIPLIRSA-N 1 1 348.359 1.430 20 5 EDBDMO CO[C@H]1CC[C@H]1[N@@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000902635617 592033292 /nfs/dbraw/zinc/03/32/92/592033292.db2.gz BAUUQMINLIGKKG-KGLIPLIRSA-N 1 1 348.359 1.430 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000900810630 592132257 /nfs/dbraw/zinc/13/22/57/592132257.db2.gz HHYWLAWKNIHOQL-LSDHHAIUSA-N 1 1 348.447 1.884 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@]2(C)C1 ZINC000904438084 592260102 /nfs/dbraw/zinc/26/01/02/592260102.db2.gz XCTLAWFLMFQWDM-PBHICJAKSA-N 1 1 342.403 1.694 20 5 EDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000908281249 592423229 /nfs/dbraw/zinc/42/32/29/592423229.db2.gz QBNCLPSCEPSMTN-CYBMUJFWSA-N 1 1 335.360 1.653 20 5 EDBDMO C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839471336 593303966 /nfs/dbraw/zinc/30/39/66/593303966.db2.gz WNMAYHGUOAKYJT-VIFPVBQESA-N 1 1 340.767 1.397 20 5 EDBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839592183 593345996 /nfs/dbraw/zinc/34/59/96/593345996.db2.gz HODVSWPOGZIMOV-ISVAXAHUSA-N 1 1 340.767 1.301 20 5 EDBDMO COC(=O)c1cc(C(C)(C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000810050241 593377528 /nfs/dbraw/zinc/37/75/28/593377528.db2.gz UVZDCNUFXXVSHA-GFCCVEGCSA-N 1 1 349.343 1.928 20 5 EDBDMO C[S@](=O)CC[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000769480854 593443729 /nfs/dbraw/zinc/44/37/29/593443729.db2.gz PHDSJIVJFLZJKV-DOHLAZSCSA-N 1 1 337.445 1.604 20 5 EDBDMO Cc1cc(OCC(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000812326836 593496908 /nfs/dbraw/zinc/49/69/08/593496908.db2.gz YDVYUWPYLAHEPP-KGLIPLIRSA-N 1 1 333.388 1.692 20 5 EDBDMO CCC(=O)CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000817289123 593589547 /nfs/dbraw/zinc/58/95/47/593589547.db2.gz TVHFEUQTVYJXOZ-UHFFFAOYSA-N 1 1 343.405 1.174 20 5 EDBDMO CCC(=O)CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000817289123 593589549 /nfs/dbraw/zinc/58/95/49/593589549.db2.gz TVHFEUQTVYJXOZ-UHFFFAOYSA-N 1 1 343.405 1.174 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2nnc3n2CCCCC3)cc1 ZINC000818945976 593729373 /nfs/dbraw/zinc/72/93/73/593729373.db2.gz AJPVYENYCYYIQM-AWEZNQCLSA-N 1 1 331.376 1.736 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)CNCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000819021614 593734271 /nfs/dbraw/zinc/73/42/71/593734271.db2.gz UINYRRXIGPLFCE-QGZVFWFLSA-N 1 1 349.431 1.863 20 5 EDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000819718141 593764772 /nfs/dbraw/zinc/76/47/72/593764772.db2.gz RMDLEUVCZGIKIO-XJKSGUPXSA-N 1 1 343.387 1.497 20 5 EDBDMO C[NH+](C)[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000823765371 593853985 /nfs/dbraw/zinc/85/39/85/593853985.db2.gz LKVCCCQEBALPGS-UKRRQHHQSA-N 1 1 333.344 1.640 20 5 EDBDMO Nc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000823932802 593889934 /nfs/dbraw/zinc/88/99/34/593889934.db2.gz FCSZAIQLLPEUHY-LBPRGKRZSA-N 1 1 337.380 1.145 20 5 EDBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCCn1cc[nH+]c1C ZINC000822895762 594118500 /nfs/dbraw/zinc/11/85/00/594118500.db2.gz ADLXZOFXEJUKLT-UHFFFAOYSA-N 1 1 349.322 1.627 20 5 EDBDMO Cc1ccccc1[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[NH2+]1 ZINC000825181866 594143118 /nfs/dbraw/zinc/14/31/18/594143118.db2.gz WSVZOMVSSDTTOG-AWEZNQCLSA-N 1 1 329.360 1.273 20 5 EDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827213425 594653208 /nfs/dbraw/zinc/65/32/08/594653208.db2.gz OSIGKRBIHKKQFT-BMFZPTHFSA-N 1 1 333.388 1.571 20 5 EDBDMO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000827244951 594655858 /nfs/dbraw/zinc/65/58/58/594655858.db2.gz GSSADUPGYPRFKT-GXFFZTMASA-N 1 1 337.351 1.909 20 5 EDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000843480740 595124691 /nfs/dbraw/zinc/12/46/91/595124691.db2.gz KVUKLLYUORQCII-NSHDSACASA-N 1 1 344.274 1.491 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000854955036 595542781 /nfs/dbraw/zinc/54/27/81/595542781.db2.gz OLUCSRJRDXYTNW-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C[N@H+]1CCO ZINC000854955036 595542783 /nfs/dbraw/zinc/54/27/83/595542783.db2.gz OLUCSRJRDXYTNW-MNOVXSKESA-N 1 1 341.795 1.775 20 5 EDBDMO CCn1ncc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000858443594 595796669 /nfs/dbraw/zinc/79/66/69/595796669.db2.gz LZEVSVKBPLZJPD-NSHDSACASA-N 1 1 332.364 1.713 20 5 EDBDMO C[N@H+](C[C@@H]1COCCO1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000853557213 595801265 /nfs/dbraw/zinc/80/12/65/595801265.db2.gz JJALDSNMTGOSKB-CQSZACIVSA-N 1 1 332.360 1.763 20 5 EDBDMO C[N@@H+](C[C@@H]1COCCO1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000853557213 595801267 /nfs/dbraw/zinc/80/12/67/595801267.db2.gz JJALDSNMTGOSKB-CQSZACIVSA-N 1 1 332.360 1.763 20 5 EDBDMO Cc1nn(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853558203 595802341 /nfs/dbraw/zinc/80/23/41/595802341.db2.gz PAHTVROTAIMFGH-BXUZGUMPSA-N 1 1 344.375 1.206 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853558203 595802343 /nfs/dbraw/zinc/80/23/43/595802343.db2.gz PAHTVROTAIMFGH-BXUZGUMPSA-N 1 1 344.375 1.206 20 5 EDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000855809906 595828502 /nfs/dbraw/zinc/82/85/02/595828502.db2.gz OVHMKGNTCRHCOI-LLVKDONJSA-N 1 1 333.392 1.709 20 5 EDBDMO COCc1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853964824 595935659 /nfs/dbraw/zinc/93/56/59/595935659.db2.gz BJPXHMJQKQWKHF-INIZCTEOSA-N 1 1 335.404 1.777 20 5 EDBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861712713 596077460 /nfs/dbraw/zinc/07/74/60/596077460.db2.gz SFKUVQISZBZIMF-WDEREUQCSA-N 1 1 339.779 1.529 20 5 EDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cccc([N+](=O)[O-])c1Cl ZINC000861862430 596128468 /nfs/dbraw/zinc/12/84/68/596128468.db2.gz QRGUPQQQIGNPLN-NSHDSACASA-N 1 1 341.795 1.825 20 5 EDBDMO COC(=O)N(C)CC[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000852571243 596200833 /nfs/dbraw/zinc/20/08/33/596200833.db2.gz MNSZLTOJKRGXBR-UHFFFAOYSA-N 1 1 325.365 1.994 20 5 EDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000119346053 596521404 /nfs/dbraw/zinc/52/14/04/596521404.db2.gz UCKDFAWQYBQKMJ-INIZCTEOSA-N 1 1 344.371 1.999 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000867807698 596560504 /nfs/dbraw/zinc/56/05/04/596560504.db2.gz KCSVPRCFJROZOD-RISCZKNCSA-N 1 1 325.390 1.310 20 5 EDBDMO CC[N@@H+](CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000863503617 596602960 /nfs/dbraw/zinc/60/29/60/596602960.db2.gz NRGWZNQBHRIPEZ-QGZVFWFLSA-N 1 1 346.387 1.846 20 5 EDBDMO C[N@@H+]1CC[C@@H]2CN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866208503 596827568 /nfs/dbraw/zinc/82/75/68/596827568.db2.gz MRDFJYBWVHIRBS-ZJUUUORDSA-N 1 1 345.446 1.590 20 5 EDBDMO C[N@H+]1CC[C@@H]2CN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866208503 596827571 /nfs/dbraw/zinc/82/75/71/596827571.db2.gz MRDFJYBWVHIRBS-ZJUUUORDSA-N 1 1 345.446 1.590 20 5 EDBDMO C[N@H+]1CC[C@H]2CN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)CC[C@H]21 ZINC000872725949 597048382 /nfs/dbraw/zinc/04/83/82/597048382.db2.gz KGELCFVRFLODKV-LSDHHAIUSA-N 1 1 342.403 1.837 20 5 EDBDMO C[C@@H](NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000872878367 597107371 /nfs/dbraw/zinc/10/73/71/597107371.db2.gz RLJUIMCXCUWRDU-MCIONIFRSA-N 1 1 348.403 1.818 20 5 EDBDMO CN(CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C)c1ccccc1[N+](=O)[O-] ZINC000874836358 597191191 /nfs/dbraw/zinc/19/11/91/597191191.db2.gz GEZVJZYGZYLREF-CABCVRRESA-N 1 1 332.404 1.726 20 5 EDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874848286 597199940 /nfs/dbraw/zinc/19/99/40/597199940.db2.gz RMDOPMLGJBSSDD-HZPDHXFCSA-N 1 1 332.404 1.970 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878427958 597601010 /nfs/dbraw/zinc/60/10/10/597601010.db2.gz IUEVYSILSVKIEI-LLVKDONJSA-N 1 1 335.360 1.580 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879764355 597717394 /nfs/dbraw/zinc/71/73/94/597717394.db2.gz WODWLLQPPIMNJW-UHFFFAOYSA-N 1 1 337.424 1.680 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879764355 597717397 /nfs/dbraw/zinc/71/73/97/597717397.db2.gz WODWLLQPPIMNJW-UHFFFAOYSA-N 1 1 337.424 1.680 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879245263 597863558 /nfs/dbraw/zinc/86/35/58/597863558.db2.gz XCAWDLOLTLDQKC-WMZOPIPTSA-N 1 1 343.383 1.955 20 5 EDBDMO CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C[C@@H]2C1 ZINC000880310518 597898887 /nfs/dbraw/zinc/89/88/87/597898887.db2.gz YFDDTLMBNXBVDZ-OKILXGFUSA-N 1 1 346.387 1.252 20 5 EDBDMO CC(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C[C@@H]2C1 ZINC000880310518 597898888 /nfs/dbraw/zinc/89/88/88/597898888.db2.gz YFDDTLMBNXBVDZ-OKILXGFUSA-N 1 1 346.387 1.252 20 5 EDBDMO C[N@@H+](CCCOC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000129548942 597915870 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332.368 1.456 20 5 EDBDMO C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000918351238 697156161 /nfs/dbraw/zinc/15/61/61/697156161.db2.gz IZEZQSLXHDYCEW-GASCZTMLSA-N 1 1 339.417 1.557 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000920421489 697429147 /nfs/dbraw/zinc/42/91/47/697429147.db2.gz PPHWDZVENPKTGJ-CYBMUJFWSA-N 1 1 338.408 1.923 20 5 EDBDMO Cc1ncccc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997772619 704674372 /nfs/dbraw/zinc/67/43/72/704674372.db2.gz PKQDMNXMIMUOOG-HZPDHXFCSA-N 1 1 332.404 1.383 20 5 EDBDMO CC(C)(C)OCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000921850283 708436701 /nfs/dbraw/zinc/43/67/01/708436701.db2.gz GIYOIYMQARLERZ-UHFFFAOYSA-N 1 1 338.408 1.886 20 5 EDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCC[C@@H]1O ZINC000181455762 529829801 /nfs/dbraw/zinc/82/98/01/529829801.db2.gz RHTIDFZLYFVXII-PBHICJAKSA-N 1 1 347.415 1.967 20 5 EDBDMO CNC(=O)CC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000175032950 529846844 /nfs/dbraw/zinc/84/68/44/529846844.db2.gz JCRGFZPXZXKPBY-UHFFFAOYSA-N 1 1 334.376 1.042 20 5 EDBDMO CNC(=O)CCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000155266419 529852530 /nfs/dbraw/zinc/85/25/30/529852530.db2.gz BROAZUSSWTXYQS-UHFFFAOYSA-N 1 1 333.348 1.603 20 5 EDBDMO CNC(=O)CCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000155266419 529852531 /nfs/dbraw/zinc/85/25/31/529852531.db2.gz BROAZUSSWTXYQS-UHFFFAOYSA-N 1 1 333.348 1.603 20 5 EDBDMO Cn1cc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c(C(F)(F)F)n1 ZINC000155037269 529939805 /nfs/dbraw/zinc/93/98/05/529939805.db2.gz WHKCPMARYBIPEY-UHFFFAOYSA-N 1 1 332.286 1.676 20 5 EDBDMO Cn1cc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c(C(F)(F)F)n1 ZINC000155037269 529939807 /nfs/dbraw/zinc/93/98/07/529939807.db2.gz WHKCPMARYBIPEY-UHFFFAOYSA-N 1 1 332.286 1.676 20 5 EDBDMO CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000067418421 215142422 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ZAVKDCCYGHQRPZ-STQMWFEESA-N 1 1 339.417 1.700 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000089952301 138276408 /nfs/dbraw/zinc/27/64/08/138276408.db2.gz WTGUKESJWIFHEI-TZMCWYRMSA-N 1 1 326.422 1.778 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090459769 138278730 /nfs/dbraw/zinc/27/87/30/138278730.db2.gz OZEYFCOHBBDQHO-HUUCEWRRSA-N 1 1 333.388 1.886 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090459769 138278731 /nfs/dbraw/zinc/27/87/31/138278731.db2.gz OZEYFCOHBBDQHO-HUUCEWRRSA-N 1 1 333.388 1.886 20 5 EDBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000186974785 236084173 /nfs/dbraw/zinc/08/41/73/236084173.db2.gz FFAOQCQNEIKYLK-NSHDSACASA-N 1 1 339.367 1.651 20 5 EDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000186974785 236084175 /nfs/dbraw/zinc/08/41/75/236084175.db2.gz FFAOQCQNEIKYLK-NSHDSACASA-N 1 1 339.367 1.651 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000362776232 283376512 /nfs/dbraw/zinc/37/65/12/283376512.db2.gz UDHKQOTVVYCPPW-CQSZACIVSA-N 1 1 333.388 1.942 20 5 EDBDMO COCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000189722959 237184723 /nfs/dbraw/zinc/18/47/23/237184723.db2.gz USUGRNREKODUJE-DOMZBBRYSA-N 1 1 337.376 1.659 20 5 EDBDMO COCCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000189722959 237184734 /nfs/dbraw/zinc/18/47/34/237184734.db2.gz USUGRNREKODUJE-DOMZBBRYSA-N 1 1 337.376 1.659 20 5 EDBDMO CC[NH+](CC)C[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565298882 306381122 /nfs/dbraw/zinc/38/11/22/306381122.db2.gz ATQBNTAWKBHTIK-ZDUSSCGKSA-N 1 1 343.449 1.688 20 5 EDBDMO Cc1nn(C)c(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000195099950 139007042 /nfs/dbraw/zinc/00/70/42/139007042.db2.gz XUFLUTHSEBCAIQ-UHFFFAOYSA-N 1 1 337.424 1.973 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCOCC1 ZINC000243440750 139070557 /nfs/dbraw/zinc/07/05/57/139070557.db2.gz NBQMIWWMAYUHDG-UHFFFAOYSA-N 1 1 338.364 1.447 20 5 EDBDMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000248199231 139159434 /nfs/dbraw/zinc/15/94/34/139159434.db2.gz NBEMNGQPBNBPDZ-QLFBSQMISA-N 1 1 338.408 1.432 20 5 EDBDMO C[C@@H](C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000248466060 139165557 /nfs/dbraw/zinc/16/55/57/139165557.db2.gz SBUKYCCOUDXSAQ-CMPLNLGQSA-N 1 1 325.394 1.344 20 5 EDBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248634831 139169374 /nfs/dbraw/zinc/16/93/74/139169374.db2.gz UTABSHMYANFDDK-ZRUHOGSISA-N 1 1 330.406 1.033 20 5 EDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261938228 139238589 /nfs/dbraw/zinc/23/85/89/139238589.db2.gz KFDHPDAUNBRRAN-ZDUSSCGKSA-N 1 1 349.778 1.618 20 5 EDBDMO Cc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)c1 ZINC000153059750 224052803 /nfs/dbraw/zinc/05/28/03/224052803.db2.gz XQRZASBIIZRBPR-UHFFFAOYSA-N 1 1 342.359 1.119 20 5 EDBDMO COc1cc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000493963005 255228624 /nfs/dbraw/zinc/22/86/24/255228624.db2.gz HWLYDFROJHZHKC-PWSUYJOCSA-N 1 1 339.323 1.673 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000493963005 255228625 /nfs/dbraw/zinc/22/86/25/255228625.db2.gz HWLYDFROJHZHKC-PWSUYJOCSA-N 1 1 339.323 1.673 20 5 EDBDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000154697323 224291331 /nfs/dbraw/zinc/29/13/31/224291331.db2.gz WCIKKQYHRKIHTC-OCCSQVGLSA-N 1 1 341.433 1.839 20 5 EDBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000184355906 533580802 /nfs/dbraw/zinc/58/08/02/533580802.db2.gz SZBDZGBIQZWSSZ-KIUWMYQTSA-N 1 1 346.431 1.750 20 5 EDBDMO CC[N@@H+](CCCO)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000270745801 140160918 /nfs/dbraw/zinc/16/09/18/140160918.db2.gz RYDFEGKSJCZBKP-LLVKDONJSA-N 1 1 325.365 1.635 20 5 EDBDMO C[N@@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000270995023 140216187 /nfs/dbraw/zinc/21/61/87/140216187.db2.gz FKKFZJDEVUJVGU-UHFFFAOYSA-N 1 1 341.433 1.493 20 5 EDBDMO C[N@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000270995023 140216189 /nfs/dbraw/zinc/21/61/89/140216189.db2.gz FKKFZJDEVUJVGU-UHFFFAOYSA-N 1 1 341.433 1.493 20 5 EDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000416297113 304305108 /nfs/dbraw/zinc/30/51/08/304305108.db2.gz PDLUCHBZOVFJJO-NWDGAFQWSA-N 1 1 347.371 1.868 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000416297113 304305111 /nfs/dbraw/zinc/30/51/11/304305111.db2.gz PDLUCHBZOVFJJO-NWDGAFQWSA-N 1 1 347.371 1.868 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000271737394 140341742 /nfs/dbraw/zinc/34/17/42/140341742.db2.gz VLHDTAHBJCBDLR-STQMWFEESA-N 1 1 336.392 1.676 20 5 EDBDMO COC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271774284 140348051 /nfs/dbraw/zinc/34/80/51/140348051.db2.gz RDIVOFANCTYUGG-LBPRGKRZSA-N 1 1 349.387 1.657 20 5 EDBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000332057091 141116158 /nfs/dbraw/zinc/11/61/58/141116158.db2.gz PATKBMNFKKUTBQ-HUUCEWRRSA-N 1 1 339.417 1.641 20 5 EDBDMO COc1cc(C(=O)NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000338428732 141808412 /nfs/dbraw/zinc/80/84/12/141808412.db2.gz YBJDWGKOOGVKOA-UHFFFAOYSA-N 1 1 325.365 1.682 20 5 EDBDMO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+](C)C ZINC000340424120 142387630 /nfs/dbraw/zinc/38/76/30/142387630.db2.gz IIGMOSFYAYJHCR-ZDUSSCGKSA-N 1 1 332.360 1.964 20 5 EDBDMO Cn1nccc1[C@H]1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC(=O)N1C ZINC000343445272 142845875 /nfs/dbraw/zinc/84/58/75/142845875.db2.gz DIKPYXRSQXSZFF-IINYFYTJSA-N 1 1 335.389 1.451 20 5 EDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000346157636 143173486 /nfs/dbraw/zinc/17/34/86/143173486.db2.gz CETYCOSWEFSVFC-HUBLWGQQSA-N 1 1 332.404 1.979 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](F)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000346414867 143202291 /nfs/dbraw/zinc/20/22/91/143202291.db2.gz PPFVOQARVDFYSL-RYUDHWBXSA-N 1 1 325.340 1.637 20 5 EDBDMO COc1cccc(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)c1[N+](=O)[O-] ZINC000346705218 143235209 /nfs/dbraw/zinc/23/52/09/143235209.db2.gz KGSDUMYNWCUGMT-RYUDHWBXSA-N 1 1 337.376 1.395 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[N@@H+](C)C1 ZINC000346708078 143235599 /nfs/dbraw/zinc/23/55/99/143235599.db2.gz QKYDLCXKZYLOGI-NWDGAFQWSA-N 1 1 347.375 1.262 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[N@H+](C)C1 ZINC000346708078 143235600 /nfs/dbraw/zinc/23/56/00/143235600.db2.gz QKYDLCXKZYLOGI-NWDGAFQWSA-N 1 1 347.375 1.262 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[N@@H+](C)C1 ZINC000346708078 143235601 /nfs/dbraw/zinc/23/56/01/143235601.db2.gz QKYDLCXKZYLOGI-NWDGAFQWSA-N 1 1 347.375 1.262 20 5 EDBDMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000347062610 143277874 /nfs/dbraw/zinc/27/78/74/143277874.db2.gz ZUSRQCDRIWDARK-FZMZJTMJSA-N 1 1 347.371 1.367 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000347062610 143277875 /nfs/dbraw/zinc/27/78/75/143277875.db2.gz ZUSRQCDRIWDARK-FZMZJTMJSA-N 1 1 347.371 1.367 20 5 EDBDMO C[C@@H]1C[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000347094385 143282145 /nfs/dbraw/zinc/28/21/45/143282145.db2.gz PPUDMMWDOUYBMN-OCCSQVGLSA-N 1 1 341.433 1.539 20 5 EDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000347331458 143309684 /nfs/dbraw/zinc/30/96/84/143309684.db2.gz FHCCCVOCYYXZOR-BCNIOPEESA-N 1 1 339.417 1.622 20 5 EDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000347331458 143309685 /nfs/dbraw/zinc/30/96/85/143309685.db2.gz FHCCCVOCYYXZOR-BCNIOPEESA-N 1 1 339.417 1.622 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353016982 149254074 /nfs/dbraw/zinc/25/40/74/149254074.db2.gz AUDSAFJRVFINSH-RYUDHWBXSA-N 1 1 346.330 1.896 20 5 EDBDMO Cn1ccnc1[C@H](NC[C@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000353402709 149393229 /nfs/dbraw/zinc/39/32/29/149393229.db2.gz JNSMPQWDRJHRJV-JKSUJKDBSA-N 1 1 345.403 1.338 20 5 EDBDMO Cn1ccnc1[C@H](NC[C@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000353402709 149393232 /nfs/dbraw/zinc/39/32/32/149393232.db2.gz JNSMPQWDRJHRJV-JKSUJKDBSA-N 1 1 345.403 1.338 20 5 EDBDMO Cc1cc(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416977510 304359541 /nfs/dbraw/zinc/35/95/41/304359541.db2.gz TYYDWXXRYYDJKU-QWHCGFSZSA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1cc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416977510 304359543 /nfs/dbraw/zinc/35/95/43/304359543.db2.gz TYYDWXXRYYDJKU-QWHCGFSZSA-N 1 1 336.392 1.822 20 5 EDBDMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000355029927 150082348 /nfs/dbraw/zinc/08/23/48/150082348.db2.gz CDSVSNGKMSGHEL-BXUZGUMPSA-N 1 1 345.359 1.981 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000355048866 150092418 /nfs/dbraw/zinc/09/24/18/150092418.db2.gz FUXQAJYMCROPDX-FZMZJTMJSA-N 1 1 338.360 1.349 20 5 EDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000355749814 150385341 /nfs/dbraw/zinc/38/53/41/150385341.db2.gz SXENBDASTGDNEW-NWDGAFQWSA-N 1 1 327.406 1.656 20 5 EDBDMO O=C([C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CCCCCC1 ZINC000370031145 155290895 /nfs/dbraw/zinc/29/08/95/155290895.db2.gz YQFKBJWWZQHOAV-HNNXBMFYSA-N 1 1 349.435 1.906 20 5 EDBDMO Cc1noc(CCC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000357723287 151126599 /nfs/dbraw/zinc/12/65/99/151126599.db2.gz BGFCMYSJAIXKIW-LBPRGKRZSA-N 1 1 332.364 1.800 20 5 EDBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358061739 151252799 /nfs/dbraw/zinc/25/27/99/151252799.db2.gz HCQYRFXRGCARDX-ABAIWWIYSA-N 1 1 339.417 1.258 20 5 EDBDMO CSc1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358067454 151255504 /nfs/dbraw/zinc/25/55/04/151255504.db2.gz PRQNEUFDDALACZ-AWEZNQCLSA-N 1 1 325.390 1.113 20 5 EDBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000360653445 152139825 /nfs/dbraw/zinc/13/98/25/152139825.db2.gz PQQMLLKGIODYBI-UHFFFAOYSA-N 1 1 345.421 1.150 20 5 EDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000361059939 152292020 /nfs/dbraw/zinc/29/20/20/152292020.db2.gz JZJHAACJUPAXMR-AWEZNQCLSA-N 1 1 338.360 1.492 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000363930246 153099515 /nfs/dbraw/zinc/09/95/15/153099515.db2.gz QMQFBWXRXRXUGU-BXUZGUMPSA-N 1 1 325.390 1.310 20 5 EDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@]2(CCOC2)O1 ZINC000369531105 155073890 /nfs/dbraw/zinc/07/38/90/155073890.db2.gz JRSVAVSQNXWJLK-ZBFHGGJFSA-N 1 1 337.376 1.026 20 5 EDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@]2(CCOC2)O1 ZINC000369531105 155073891 /nfs/dbraw/zinc/07/38/91/155073891.db2.gz JRSVAVSQNXWJLK-ZBFHGGJFSA-N 1 1 337.376 1.026 20 5 EDBDMO O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371711881 156074471 /nfs/dbraw/zinc/07/44/71/156074471.db2.gz WUBTZEXDYYBECT-NQNKBUKLSA-N 1 1 329.400 1.678 20 5 EDBDMO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CC1[N+](=O)[O-] ZINC000371711881 156074473 /nfs/dbraw/zinc/07/44/73/156074473.db2.gz WUBTZEXDYYBECT-NQNKBUKLSA-N 1 1 329.400 1.678 20 5 EDBDMO O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CC1[N+](=O)[O-] ZINC000371711881 156074475 /nfs/dbraw/zinc/07/44/75/156074475.db2.gz WUBTZEXDYYBECT-NQNKBUKLSA-N 1 1 329.400 1.678 20 5 EDBDMO CN(C(=O)C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000372159122 156249187 /nfs/dbraw/zinc/24/91/87/156249187.db2.gz XRFGZJKNLXMKHX-UONOGXRCSA-N 1 1 333.388 1.916 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000378399368 158163846 /nfs/dbraw/zinc/16/38/46/158163846.db2.gz FRFPUJFYKFPLTQ-GFCCVEGCSA-N 1 1 335.408 1.855 20 5 EDBDMO Cc1c(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000365185036 162353303 /nfs/dbraw/zinc/35/33/03/162353303.db2.gz MLJVCIPTJNZGOY-CHWSQXEVSA-N 1 1 334.376 1.888 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000158464175 225020965 /nfs/dbraw/zinc/02/09/65/225020965.db2.gz FJNFNBXLHDUQLU-OAHLLOKOSA-N 1 1 336.388 1.980 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000158464175 225020967 /nfs/dbraw/zinc/02/09/67/225020967.db2.gz FJNFNBXLHDUQLU-OAHLLOKOSA-N 1 1 336.388 1.980 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000160241868 225368866 /nfs/dbraw/zinc/36/88/66/225368866.db2.gz GXUKZQVALDRGIV-AAEUAGOBSA-N 1 1 328.376 1.899 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000124036416 222367148 /nfs/dbraw/zinc/36/71/48/222367148.db2.gz LYKJSCUZAZKNHQ-VXGBXAGGSA-N 1 1 339.417 1.807 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000124036416 222367150 /nfs/dbraw/zinc/36/71/50/222367150.db2.gz LYKJSCUZAZKNHQ-VXGBXAGGSA-N 1 1 339.417 1.807 20 5 EDBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000194128875 273000585 /nfs/dbraw/zinc/00/05/85/273000585.db2.gz POLYDKUJIGGRTD-UHFFFAOYSA-N 1 1 331.376 1.559 20 5 EDBDMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273719419 268077144 /nfs/dbraw/zinc/07/71/44/268077144.db2.gz RJSYCIOIADNFMK-LBPRGKRZSA-N 1 1 327.406 1.308 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275302452 268317957 /nfs/dbraw/zinc/31/79/57/268317957.db2.gz MZRAXCLUQVNGKI-NSHDSACASA-N 1 1 336.373 1.332 20 5 EDBDMO COC(=O)c1cc(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000274541316 273094500 /nfs/dbraw/zinc/09/45/00/273094500.db2.gz VZVNEBMXAGDANB-CQSZACIVSA-N 1 1 349.387 1.984 20 5 EDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000277520503 273203788 /nfs/dbraw/zinc/20/37/88/273203788.db2.gz QSIQWAPOVUBSQR-SPSFWMDKSA-N 1 1 339.417 1.624 20 5 EDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000277520503 273203789 /nfs/dbraw/zinc/20/37/89/273203789.db2.gz QSIQWAPOVUBSQR-SPSFWMDKSA-N 1 1 339.417 1.624 20 5 EDBDMO Cc1cc(OCC(=O)NCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000281241988 273452274 /nfs/dbraw/zinc/45/22/74/273452274.db2.gz WLJFPWGMWJUHRQ-UHFFFAOYSA-N 1 1 337.376 1.121 20 5 EDBDMO CO[C@@H]1C[C@@H](CN(C)c2ncnc3sc([N+](=O)[O-])cc32)[N@@H+](C)C1 ZINC000343308380 274069236 /nfs/dbraw/zinc/06/92/36/274069236.db2.gz YKMFHAVTOZTPLF-VHSXEESVSA-N 1 1 337.405 1.755 20 5 EDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000249255596 274218168 /nfs/dbraw/zinc/21/81/68/274218168.db2.gz YLFPRANSCZZFQN-OLZOCXBDSA-N 1 1 341.433 1.994 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000363875497 274352698 /nfs/dbraw/zinc/35/26/98/274352698.db2.gz ZTDNLUSGJLPPFV-YUELXQCFSA-N 1 1 348.403 1.609 20 5 EDBDMO CO[C@H]1C[C@@H](CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000284841642 274354812 /nfs/dbraw/zinc/35/48/12/274354812.db2.gz OGHYIOSTAXWRRI-STQMWFEESA-N 1 1 336.392 1.184 20 5 EDBDMO C[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000255617613 287845476 /nfs/dbraw/zinc/84/54/76/287845476.db2.gz ZJDQADVMMHPMQF-HJHHMULASA-N 1 1 333.388 1.693 20 5 EDBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000286016863 287915954 /nfs/dbraw/zinc/91/59/54/287915954.db2.gz ZHLLHVSNYKMWSU-WWCKUISVSA-N 1 1 345.399 1.930 20 5 EDBDMO C[N@H+]1CC[C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000109848230 277134259 /nfs/dbraw/zinc/13/42/59/277134259.db2.gz GLXZLUZNCOYPPA-AWEZNQCLSA-N 1 1 346.431 1.879 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000368591208 277143498 /nfs/dbraw/zinc/14/34/98/277143498.db2.gz MCHPRDOJBZICHJ-YGRLFVJLSA-N 1 1 334.332 1.669 20 5 EDBDMO COCCN(CC[NH+](C)C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000355206848 277216422 /nfs/dbraw/zinc/21/64/22/277216422.db2.gz CBRKURPCSWZUNL-UHFFFAOYSA-N 1 1 335.364 1.121 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000186954484 533690134 /nfs/dbraw/zinc/69/01/34/533690134.db2.gz YEKPQRLUSLJTCO-GHMZBOCLSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000186954484 533690127 /nfs/dbraw/zinc/69/01/27/533690127.db2.gz YEKPQRLUSLJTCO-GHMZBOCLSA-N 1 1 341.795 1.775 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C[N@@H+]1C ZINC000408074038 288021691 /nfs/dbraw/zinc/02/16/91/288021691.db2.gz SCOKNNUIMYTZEB-MNOVXSKESA-N 1 1 335.360 1.531 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C[N@H+]1C ZINC000408074038 288021694 /nfs/dbraw/zinc/02/16/94/288021694.db2.gz SCOKNNUIMYTZEB-MNOVXSKESA-N 1 1 335.360 1.531 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000287940712 288361980 /nfs/dbraw/zinc/36/19/80/288361980.db2.gz PYBUZYZIYBCOBG-SNVBAGLBSA-N 1 1 331.332 1.884 20 5 EDBDMO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000291247589 289024971 /nfs/dbraw/zinc/02/49/71/289024971.db2.gz VOFURYJBRIIEHH-NSHDSACASA-N 1 1 342.421 1.174 20 5 EDBDMO CC(C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000291777375 289177799 /nfs/dbraw/zinc/17/77/99/289177799.db2.gz MARGEDRDSCXQSU-HNNXBMFYSA-N 1 1 333.388 1.983 20 5 EDBDMO CC(C)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000291777375 289177800 /nfs/dbraw/zinc/17/78/00/289177800.db2.gz MARGEDRDSCXQSU-HNNXBMFYSA-N 1 1 333.388 1.983 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000291855257 289197747 /nfs/dbraw/zinc/19/77/47/289197747.db2.gz IFXSOYJCXSGLTM-OAHLLOKOSA-N 1 1 339.417 1.620 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000291868297 289201513 /nfs/dbraw/zinc/20/15/13/289201513.db2.gz KTLKFAHSCLKUCS-LLVKDONJSA-N 1 1 327.356 1.958 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422017301 447309967 /nfs/dbraw/zinc/30/99/67/447309967.db2.gz HRQHDECJHWCGLW-SWLSCSKDSA-N 1 1 348.403 1.266 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000360565717 301680537 /nfs/dbraw/zinc/68/05/37/301680537.db2.gz VWFFSWIUMCVTLR-CYBMUJFWSA-N 1 1 337.401 1.538 20 5 EDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000160291022 302921473 /nfs/dbraw/zinc/92/14/73/302921473.db2.gz KAFHHQRSVFIVQE-NSHDSACASA-N 1 1 333.348 1.488 20 5 EDBDMO CCC[NH+]1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000294476943 303112793 /nfs/dbraw/zinc/11/27/93/303112793.db2.gz FQCOUPKSWMBBPD-UHFFFAOYSA-N 1 1 325.340 1.910 20 5 EDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000295333541 303206055 /nfs/dbraw/zinc/20/60/55/303206055.db2.gz XSYYSCWKBXKFJH-MRXNPFEDSA-N 1 1 336.367 1.943 20 5 EDBDMO NC(=O)c1cccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)c1 ZINC000296985238 303351838 /nfs/dbraw/zinc/35/18/38/303351838.db2.gz ZGWURHLDQHQILZ-UHFFFAOYSA-N 1 1 329.360 1.555 20 5 EDBDMO C[NH2+][C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1cnn(C)c1 ZINC000423835361 304911403 /nfs/dbraw/zinc/91/14/03/304911403.db2.gz DKPMNNYVBBMOCQ-ZDUSSCGKSA-N 1 1 337.767 1.559 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429399715 305029853 /nfs/dbraw/zinc/02/98/53/305029853.db2.gz NLHPLULPUGNNLB-ZFWWWQNUSA-N 1 1 349.387 1.713 20 5 EDBDMO O=C([C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)N1CCNCC1 ZINC000430653186 305061493 /nfs/dbraw/zinc/06/14/93/305061493.db2.gz OGWCVYQUVYGYJG-INIZCTEOSA-N 1 1 346.431 1.281 20 5 EDBDMO O=C([C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)N1CCNCC1 ZINC000430653186 305061494 /nfs/dbraw/zinc/06/14/94/305061494.db2.gz OGWCVYQUVYGYJG-INIZCTEOSA-N 1 1 346.431 1.281 20 5 EDBDMO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000430723955 305063314 /nfs/dbraw/zinc/06/33/14/305063314.db2.gz UBVMNSNZEFKSAY-CYBMUJFWSA-N 1 1 331.376 1.979 20 5 EDBDMO COCCN(C)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526178 305281406 /nfs/dbraw/zinc/28/14/06/305281406.db2.gz BUFVXWXIYQPLNR-GJZGRUSLSA-N 1 1 339.440 1.833 20 5 EDBDMO COCCOC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545999 305352569 /nfs/dbraw/zinc/35/25/69/305352569.db2.gz IMKDOBWDHJZCDW-WBVHZDCISA-N 1 1 338.404 1.798 20 5 EDBDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451992744 305376886 /nfs/dbraw/zinc/37/68/86/305376886.db2.gz MJWSBXSZOSRTEZ-ZDUSSCGKSA-N 1 1 336.392 1.709 20 5 EDBDMO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000452349256 305391351 /nfs/dbraw/zinc/39/13/51/305391351.db2.gz BIBPKMRDLMYLCQ-LBPRGKRZSA-N 1 1 337.376 1.180 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000457018650 305480145 /nfs/dbraw/zinc/48/01/45/305480145.db2.gz KMDYZLNJYNJVMB-ZDUSSCGKSA-N 1 1 329.360 1.598 20 5 EDBDMO C[N@@H+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1(C)C ZINC000549723893 306147932 /nfs/dbraw/zinc/14/79/32/306147932.db2.gz FCTPWRWDWYMGGJ-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO C[N@H+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1(C)C ZINC000549723893 306147933 /nfs/dbraw/zinc/14/79/33/306147933.db2.gz FCTPWRWDWYMGGJ-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO CC[N@H+]1CCO[C@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000377968761 447393323 /nfs/dbraw/zinc/39/33/23/447393323.db2.gz UAEQMLLMQOEULK-AWEZNQCLSA-N 1 1 345.359 1.644 20 5 EDBDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000377968761 447393318 /nfs/dbraw/zinc/39/33/18/447393318.db2.gz UAEQMLLMQOEULK-AWEZNQCLSA-N 1 1 345.359 1.644 20 5 EDBDMO Cc1c(C(=O)N2CCN(c3[nH+]ccn3C)CC2)cccc1[N+](=O)[O-] ZINC000013693512 441164414 /nfs/dbraw/zinc/16/44/14/441164414.db2.gz LLASUPTYJNGZSN-UHFFFAOYSA-N 1 1 329.360 1.599 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000104748715 441203879 /nfs/dbraw/zinc/20/38/79/441203879.db2.gz NWPQXLMZRSXYIE-GFCCVEGCSA-N 1 1 327.406 1.475 20 5 EDBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000074137636 441398386 /nfs/dbraw/zinc/39/83/86/441398386.db2.gz QEWMJSMBNXQWQM-AWEZNQCLSA-N 1 1 334.420 1.137 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1C ZINC000074094997 441390426 /nfs/dbraw/zinc/39/04/26/441390426.db2.gz UCAMIAHRCPTJDR-UHFFFAOYSA-N 1 1 336.327 1.046 20 5 EDBDMO CN(C)c1[nH+]cc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)n1C ZINC000074096301 441392366 /nfs/dbraw/zinc/39/23/66/441392366.db2.gz DTJAEOTXSOEAJJ-UHFFFAOYSA-N 1 1 349.416 1.803 20 5 EDBDMO CNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000027965938 441419735 /nfs/dbraw/zinc/41/97/35/441419735.db2.gz VAVWMYLXJUWIAT-LBPRGKRZSA-N 1 1 348.403 1.688 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108618568 441470694 /nfs/dbraw/zinc/47/06/94/441470694.db2.gz BKYAWEOWVPWDMA-ZDUSSCGKSA-N 1 1 346.387 1.442 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000088723268 441517892 /nfs/dbraw/zinc/51/78/92/441517892.db2.gz IRNUXHFUFDRPOI-UHFFFAOYSA-N 1 1 336.436 1.705 20 5 EDBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066808186 441569749 /nfs/dbraw/zinc/56/97/49/441569749.db2.gz VPEFZQCHPKXODN-UHFFFAOYSA-N 1 1 335.408 1.370 20 5 EDBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066808186 441569750 /nfs/dbraw/zinc/56/97/50/441569750.db2.gz VPEFZQCHPKXODN-UHFFFAOYSA-N 1 1 335.408 1.370 20 5 EDBDMO COC[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000112991332 441575455 /nfs/dbraw/zinc/57/54/55/441575455.db2.gz KDFYWYWFOAZNNW-ZDUSSCGKSA-N 1 1 333.388 1.842 20 5 EDBDMO Cn1cc(C(=O)NCC[N@@H+](C)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066923892 441588916 /nfs/dbraw/zinc/58/89/16/441588916.db2.gz DTKZURSJRWPRFT-UHFFFAOYSA-N 1 1 343.387 1.819 20 5 EDBDMO Cc1cccc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000114141029 441637255 /nfs/dbraw/zinc/63/72/55/441637255.db2.gz VGJRHJZVJBPOIK-ZDUSSCGKSA-N 1 1 334.420 1.517 20 5 EDBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCO1 ZINC000114726270 441679368 /nfs/dbraw/zinc/67/93/68/441679368.db2.gz RYMIMTOXKZXOIQ-OAHLLOKOSA-N 1 1 333.388 1.985 20 5 EDBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCO1 ZINC000114726270 441679371 /nfs/dbraw/zinc/67/93/71/441679371.db2.gz RYMIMTOXKZXOIQ-OAHLLOKOSA-N 1 1 333.388 1.985 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000041668574 441667550 /nfs/dbraw/zinc/66/75/50/441667550.db2.gz MKEBCNIGELFGMG-GFCCVEGCSA-N 1 1 348.403 1.690 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000115586301 441762191 /nfs/dbraw/zinc/76/21/91/441762191.db2.gz QENSFRIYAKZJLJ-ZDUSSCGKSA-N 1 1 341.433 1.866 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115585755 441762579 /nfs/dbraw/zinc/76/25/79/441762579.db2.gz PNVMONBPUBOSSN-CYBMUJFWSA-N 1 1 341.433 1.866 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000173718376 441829209 /nfs/dbraw/zinc/82/92/09/441829209.db2.gz WRHPTYOLYQPFAL-AWEZNQCLSA-N 1 1 334.420 1.517 20 5 EDBDMO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000069129456 441896802 /nfs/dbraw/zinc/89/68/02/441896802.db2.gz DLSLCYKJTGCAMN-NSHDSACASA-N 1 1 327.406 1.664 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000120112177 442010112 /nfs/dbraw/zinc/01/01/12/442010112.db2.gz XXTMTCRZDSOBEG-LBPRGKRZSA-N 1 1 331.380 1.597 20 5 EDBDMO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000162317839 442083456 /nfs/dbraw/zinc/08/34/56/442083456.db2.gz ZTXFPEYVEWDRAT-DOMZBBRYSA-N 1 1 333.388 1.719 20 5 EDBDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000162317839 442083463 /nfs/dbraw/zinc/08/34/63/442083463.db2.gz ZTXFPEYVEWDRAT-DOMZBBRYSA-N 1 1 333.388 1.719 20 5 EDBDMO C[C@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000162317957 442083702 /nfs/dbraw/zinc/08/37/02/442083702.db2.gz ZTXFPEYVEWDRAT-WFASDCNBSA-N 1 1 333.388 1.719 20 5 EDBDMO C[C@H]1CCC[C@@H](CO)[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000162317957 442083707 /nfs/dbraw/zinc/08/37/07/442083707.db2.gz ZTXFPEYVEWDRAT-WFASDCNBSA-N 1 1 333.388 1.719 20 5 EDBDMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000120756878 442127713 /nfs/dbraw/zinc/12/77/13/442127713.db2.gz YUFFPRZDFMWREZ-YPMHNXCESA-N 1 1 334.376 1.474 20 5 EDBDMO CCC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1CCOC ZINC000162502258 442098218 /nfs/dbraw/zinc/09/82/18/442098218.db2.gz ZPRWJRHHULVSFO-CYBMUJFWSA-N 1 1 325.413 1.574 20 5 EDBDMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000163220652 442150967 /nfs/dbraw/zinc/15/09/67/442150967.db2.gz JCGSBXNRGDSFBS-UHFFFAOYSA-N 1 1 348.403 1.704 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000121389564 442211231 /nfs/dbraw/zinc/21/12/31/442211231.db2.gz ULVZDIHQWUQPBE-OAHLLOKOSA-N 1 1 348.403 1.640 20 5 EDBDMO Cc1c(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000121389564 442211232 /nfs/dbraw/zinc/21/12/32/442211232.db2.gz ULVZDIHQWUQPBE-OAHLLOKOSA-N 1 1 348.403 1.640 20 5 EDBDMO C[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000177446034 442342651 /nfs/dbraw/zinc/34/26/51/442342651.db2.gz BVFNBNLQNGNRGN-ZFWWWQNUSA-N 1 1 343.387 1.571 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC000172019907 442400559 /nfs/dbraw/zinc/40/05/59/442400559.db2.gz LWLBVUVTGOWTJV-UHFFFAOYSA-N 1 1 327.406 1.666 20 5 EDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186523933 442553090 /nfs/dbraw/zinc/55/30/90/442553090.db2.gz ZXXVWVOJGGOZAP-SNVBAGLBSA-N 1 1 329.360 1.828 20 5 EDBDMO CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000156712335 442512166 /nfs/dbraw/zinc/51/21/66/442512166.db2.gz LAZSRGXWPUYSMH-CQSZACIVSA-N 1 1 348.403 1.358 20 5 EDBDMO C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000135515436 442605960 /nfs/dbraw/zinc/60/59/60/442605960.db2.gz GBDAOHSHPKFKFW-LLVKDONJSA-N 1 1 329.360 1.495 20 5 EDBDMO C[C@@H](NC(=O)NCC[N@H+]1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000186981899 442639715 /nfs/dbraw/zinc/63/97/15/442639715.db2.gz YHVXNQAJHZLIGH-CYBMUJFWSA-N 1 1 336.392 1.677 20 5 EDBDMO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182243050 442748954 /nfs/dbraw/zinc/74/89/54/442748954.db2.gz VUAWCCMRQPJJMG-TZMCWYRMSA-N 1 1 342.417 1.604 20 5 EDBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182243050 442748956 /nfs/dbraw/zinc/74/89/56/442748956.db2.gz VUAWCCMRQPJJMG-TZMCWYRMSA-N 1 1 342.417 1.604 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188732680 442799420 /nfs/dbraw/zinc/79/94/20/442799420.db2.gz CJVWEPVTWDSLKF-ZDUSSCGKSA-N 1 1 335.404 1.820 20 5 EDBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193646339 442763441 /nfs/dbraw/zinc/76/34/41/442763441.db2.gz QQLIFLXRWBJPBR-ZDUSSCGKSA-N 1 1 334.376 1.690 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000182735921 442816980 /nfs/dbraw/zinc/81/69/80/442816980.db2.gz IALLQPSPHGGDCK-STQMWFEESA-N 1 1 341.433 1.978 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000182735921 442816982 /nfs/dbraw/zinc/81/69/82/442816982.db2.gz IALLQPSPHGGDCK-STQMWFEESA-N 1 1 341.433 1.978 20 5 EDBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188810829 442820017 /nfs/dbraw/zinc/82/00/17/442820017.db2.gz UVKPDOJRIPICNO-ZBFHGGJFSA-N 1 1 349.431 1.689 20 5 EDBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188810829 442820020 /nfs/dbraw/zinc/82/00/20/442820020.db2.gz UVKPDOJRIPICNO-ZBFHGGJFSA-N 1 1 349.431 1.689 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249597594 442993278 /nfs/dbraw/zinc/99/32/78/442993278.db2.gz XGVPARRIUVHVPK-BXUZGUMPSA-N 1 1 337.376 1.635 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000251437234 443014487 /nfs/dbraw/zinc/01/44/87/443014487.db2.gz CCFBSRPWMYYPMT-AMVTZNPPSA-N 1 1 333.388 1.522 20 5 EDBDMO COCC[N@H+]1CC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000268514280 443016616 /nfs/dbraw/zinc/01/66/16/443016616.db2.gz XNDBBAXFSDPORB-SNVBAGLBSA-N 1 1 345.197 1.885 20 5 EDBDMO CC(C)N1CCC[C@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000252649271 443045396 /nfs/dbraw/zinc/04/53/96/443045396.db2.gz RXWRKRXHWXFLJT-HIFRSBDPSA-N 1 1 347.419 1.875 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000190011716 443047418 /nfs/dbraw/zinc/04/74/18/443047418.db2.gz XWENIWRLEVTPFJ-ZDUSSCGKSA-N 1 1 341.433 1.926 20 5 EDBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000190011716 443047423 /nfs/dbraw/zinc/04/74/23/443047423.db2.gz XWENIWRLEVTPFJ-ZDUSSCGKSA-N 1 1 341.433 1.926 20 5 EDBDMO O=[N+]([O-])c1ccc(NC[C@H](O)C[NH+]2CCOCC2)c2ncccc12 ZINC000298146065 318793167 /nfs/dbraw/zinc/79/31/67/318793167.db2.gz BYDYBSZUGGAMIQ-LBPRGKRZSA-N 1 1 332.360 1.248 20 5 EDBDMO CCc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000261631555 443162051 /nfs/dbraw/zinc/16/20/51/443162051.db2.gz BDJZXJJXNDRUHY-OAHLLOKOSA-N 1 1 343.387 1.677 20 5 EDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000185677728 443237001 /nfs/dbraw/zinc/23/70/01/443237001.db2.gz WGIVXWQRCZWEIU-NSHDSACASA-N 1 1 325.390 1.357 20 5 EDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000264425636 443287808 /nfs/dbraw/zinc/28/78/08/443287808.db2.gz AGFGUVPXARHQRY-LLVKDONJSA-N 1 1 335.360 1.438 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000264357370 443261079 /nfs/dbraw/zinc/26/10/79/443261079.db2.gz IQUHGQWEHQEVHB-AWEZNQCLSA-N 1 1 333.388 1.979 20 5 EDBDMO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000264368637 443266331 /nfs/dbraw/zinc/26/63/31/443266331.db2.gz ALBSDBZDXYCRHB-IUODEOHRSA-N 1 1 333.388 1.719 20 5 EDBDMO C[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000264368637 443266332 /nfs/dbraw/zinc/26/63/32/443266332.db2.gz ALBSDBZDXYCRHB-IUODEOHRSA-N 1 1 333.388 1.719 20 5 EDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000264476262 443304906 /nfs/dbraw/zinc/30/49/06/443304906.db2.gz OXRDJBHNZIFOQR-UHFFFAOYSA-N 1 1 347.419 1.289 20 5 EDBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000266964835 443305064 /nfs/dbraw/zinc/30/50/64/443305064.db2.gz VHYKFNPOQFQRCP-CYBMUJFWSA-N 1 1 349.387 1.233 20 5 EDBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000264491376 443308018 /nfs/dbraw/zinc/30/80/18/443308018.db2.gz SRQLLCTZGLPPQJ-UHFFFAOYSA-N 1 1 349.435 1.679 20 5 EDBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000264491376 443308021 /nfs/dbraw/zinc/30/80/21/443308021.db2.gz SRQLLCTZGLPPQJ-UHFFFAOYSA-N 1 1 349.435 1.679 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000278429220 443329367 /nfs/dbraw/zinc/32/93/67/443329367.db2.gz DARDWBZPHPLCPR-AWEZNQCLSA-N 1 1 334.420 1.659 20 5 EDBDMO CO[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000282419086 443333932 /nfs/dbraw/zinc/33/39/32/443333932.db2.gz QQJLOVDTZWJUNF-SWLSCSKDSA-N 1 1 333.388 1.983 20 5 EDBDMO CO[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000282419086 443333933 /nfs/dbraw/zinc/33/39/33/443333933.db2.gz QQJLOVDTZWJUNF-SWLSCSKDSA-N 1 1 333.388 1.983 20 5 EDBDMO CC(C)c1n[nH]c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000269529300 443337903 /nfs/dbraw/zinc/33/79/03/443337903.db2.gz RUIMXFTYEGLISA-NSHDSACASA-N 1 1 339.396 1.139 20 5 EDBDMO Cc1c(C(=O)N(C)CCC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000264665006 443366433 /nfs/dbraw/zinc/36/64/33/443366433.db2.gz WRTAJJQPRWFCNP-UHFFFAOYSA-N 1 1 334.420 1.613 20 5 EDBDMO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000264751913 443406123 /nfs/dbraw/zinc/40/61/23/443406123.db2.gz RIERIZADHFBWIX-IUODEOHRSA-N 1 1 335.408 1.201 20 5 EDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000264833140 443445226 /nfs/dbraw/zinc/44/52/26/443445226.db2.gz ZUUPAGCZJLAMGB-GFCCVEGCSA-N 1 1 333.392 1.137 20 5 EDBDMO C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000273016275 443519186 /nfs/dbraw/zinc/51/91/86/443519186.db2.gz SCUCFPILXQYQCH-XHDPSFHLSA-N 1 1 332.360 1.156 20 5 EDBDMO COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273039340 443525819 /nfs/dbraw/zinc/52/58/19/443525819.db2.gz OPYOSVOBYHDQOA-NWDGAFQWSA-N 1 1 326.349 1.075 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279849180 443631951 /nfs/dbraw/zinc/63/19/51/443631951.db2.gz RYDHGHCRTFDEEX-AWEZNQCLSA-N 1 1 337.376 1.635 20 5 EDBDMO Cc1ccnc(NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000265301017 443600483 /nfs/dbraw/zinc/60/04/83/443600483.db2.gz ZVGLNFUGEITXBB-CYBMUJFWSA-N 1 1 335.408 1.653 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272414446 443617579 /nfs/dbraw/zinc/61/75/79/443617579.db2.gz LOVLGJMQSWMAQW-JSGCOSHPSA-N 1 1 339.417 1.618 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272414446 443617582 /nfs/dbraw/zinc/61/75/82/443617582.db2.gz LOVLGJMQSWMAQW-JSGCOSHPSA-N 1 1 339.417 1.618 20 5 EDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286184014 443663206 /nfs/dbraw/zinc/66/32/06/443663206.db2.gz VBWTZMCHIGZOFM-FZMZJTMJSA-N 1 1 329.360 1.568 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276156933 443657420 /nfs/dbraw/zinc/65/74/20/443657420.db2.gz FKSODNSKKRDAKS-LBPRGKRZSA-N 1 1 341.433 1.776 20 5 EDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000440863252 320084643 /nfs/dbraw/zinc/08/46/43/320084643.db2.gz KUQTVIDSOKUVBX-CYBMUJFWSA-N 1 1 341.433 1.974 20 5 EDBDMO C=Cn1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000446764928 320134068 /nfs/dbraw/zinc/13/40/68/320134068.db2.gz ARZNQUNFNWYIEX-UHFFFAOYSA-N 1 1 336.373 1.455 20 5 EDBDMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450241026 320216099 /nfs/dbraw/zinc/21/60/99/320216099.db2.gz JOWFFTZVDKVRSI-BETUJISGSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450241026 320216102 /nfs/dbraw/zinc/21/61/02/320216102.db2.gz JOWFFTZVDKVRSI-BETUJISGSA-N 1 1 343.387 1.945 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CCCO)C1 ZINC000452134806 320244377 /nfs/dbraw/zinc/24/43/77/320244377.db2.gz VCYLPSOCQHJEPK-LBPRGKRZSA-N 1 1 337.376 1.636 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CCCO)C1 ZINC000452134806 320244378 /nfs/dbraw/zinc/24/43/78/320244378.db2.gz VCYLPSOCQHJEPK-LBPRGKRZSA-N 1 1 337.376 1.636 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCCC1(C)C ZINC000454068686 320281731 /nfs/dbraw/zinc/28/17/31/320281731.db2.gz LRSQDNCPSWBFMT-UHFFFAOYSA-N 1 1 348.403 1.832 20 5 EDBDMO CC1(C)CCC[N@H+]1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457080284 320319080 /nfs/dbraw/zinc/31/90/80/320319080.db2.gz UGRFGBYEWRGVJU-UHFFFAOYSA-N 1 1 348.403 1.315 20 5 EDBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1C[NH+](C(C)C)C1 ZINC000457722503 320333426 /nfs/dbraw/zinc/33/34/26/320333426.db2.gz OCYNWUUUYWUAJL-GFCCVEGCSA-N 1 1 338.412 1.036 20 5 EDBDMO C[C@@H]1NC(=O)N(CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1=O ZINC000459364976 320347483 /nfs/dbraw/zinc/34/74/83/320347483.db2.gz KXXCNOVLYAJBSV-NSHDSACASA-N 1 1 332.360 1.500 20 5 EDBDMO C[C@@H]1NC(=O)N(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1=O ZINC000459364976 320347484 /nfs/dbraw/zinc/34/74/84/320347484.db2.gz KXXCNOVLYAJBSV-NSHDSACASA-N 1 1 332.360 1.500 20 5 EDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491564756 320372459 /nfs/dbraw/zinc/37/24/59/320372459.db2.gz YRFDRLKHTUGCQH-ZPIQOJFGSA-N 1 1 346.387 1.064 20 5 EDBDMO COC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000280227147 443677945 /nfs/dbraw/zinc/67/79/45/443677945.db2.gz JPKCVBLUHGCPJN-QMTHXVAHSA-N 1 1 336.344 1.702 20 5 EDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000280227147 443677947 /nfs/dbraw/zinc/67/79/47/443677947.db2.gz JPKCVBLUHGCPJN-QMTHXVAHSA-N 1 1 336.344 1.702 20 5 EDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000298691601 443840030 /nfs/dbraw/zinc/84/00/30/443840030.db2.gz DOFSGQOKPAFEQY-TXEJJXNPSA-N 1 1 335.408 1.869 20 5 EDBDMO COC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298759739 443861088 /nfs/dbraw/zinc/86/10/88/443861088.db2.gz ZLBCCHMDDBJASN-DGCLKSJQSA-N 1 1 326.349 1.075 20 5 EDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000281263210 443863505 /nfs/dbraw/zinc/86/35/05/443863505.db2.gz VLUDAYSXNSNEJH-KRWDZBQOSA-N 1 1 348.403 1.690 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000288931912 444017288 /nfs/dbraw/zinc/01/72/88/444017288.db2.gz WAPLHHSUFXGCSO-QGZVFWFLSA-N 1 1 348.378 1.858 20 5 EDBDMO CC[N@@H+](CCOCCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000282074038 444079528 /nfs/dbraw/zinc/07/95/28/444079528.db2.gz 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Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000299707398 444121631 /nfs/dbraw/zinc/12/16/31/444121631.db2.gz PTKGWYIZDYYYKV-LBPRGKRZSA-N 1 1 334.376 1.252 20 5 EDBDMO COc1ccc(CNC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296163911 444209218 /nfs/dbraw/zinc/20/92/18/444209218.db2.gz BAJAHESQAMPATN-TXEJJXNPSA-N 1 1 336.392 1.837 20 5 EDBDMO Cc1cc(F)c(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000296210137 444211863 /nfs/dbraw/zinc/21/18/63/444211863.db2.gz DKSMODOVNZRXIY-JTQLQIEISA-N 1 1 338.339 1.191 20 5 EDBDMO COC(=O)c1cnc(N[C@H]2CCc3[nH+]c(C)cn3C2)c([N+](=O)[O-])c1 ZINC000302666746 444218759 /nfs/dbraw/zinc/21/87/59/444218759.db2.gz CIKIUDMFPGUESJ-NSHDSACASA-N 1 1 331.332 1.708 20 5 EDBDMO C[C@H](O)[C@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000305870322 444283814 /nfs/dbraw/zinc/28/38/14/444283814.db2.gz ODJYDCUDVVQVIA-RYUDHWBXSA-N 1 1 335.360 1.596 20 5 EDBDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000297952700 444367306 /nfs/dbraw/zinc/36/73/06/444367306.db2.gz TVDSKYKKCKREET-GFCCVEGCSA-N 1 1 348.403 1.690 20 5 EDBDMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340579940 444448246 /nfs/dbraw/zinc/44/82/46/444448246.db2.gz JWWDNAODZLGDJG-UKRRQHHQSA-N 1 1 344.371 1.288 20 5 EDBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000343776738 444583592 /nfs/dbraw/zinc/58/35/92/444583592.db2.gz GFMWFIYZCGJWCX-XJKSGUPXSA-N 1 1 332.404 1.470 20 5 EDBDMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000342209591 444566727 /nfs/dbraw/zinc/56/67/27/444566727.db2.gz SXEKQYHEEVFHPH-KBPBESRZSA-N 1 1 344.371 1.288 20 5 EDBDMO COc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343983778 444709490 /nfs/dbraw/zinc/70/94/90/444709490.db2.gz VQYRINFNRRZNNB-CMPLNLGQSA-N 1 1 343.405 1.364 20 5 EDBDMO COc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343983778 444709492 /nfs/dbraw/zinc/70/94/92/444709492.db2.gz VQYRINFNRRZNNB-CMPLNLGQSA-N 1 1 343.405 1.364 20 5 EDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000336901869 444842862 /nfs/dbraw/zinc/84/28/62/444842862.db2.gz TVRSTESJGZUJTM-UKRRQHHQSA-N 1 1 343.387 1.743 20 5 EDBDMO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000344432166 444966691 /nfs/dbraw/zinc/96/66/91/444966691.db2.gz SRJQGJGWNDJYAW-DGCLKSJQSA-N 1 1 334.376 1.441 20 5 EDBDMO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330535177 445021982 /nfs/dbraw/zinc/02/19/82/445021982.db2.gz DMGRWACGTLXEGB-QWHCGFSZSA-N 1 1 341.433 1.839 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330535177 445021984 /nfs/dbraw/zinc/02/19/84/445021984.db2.gz DMGRWACGTLXEGB-QWHCGFSZSA-N 1 1 341.433 1.839 20 5 EDBDMO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000337229924 444995706 /nfs/dbraw/zinc/99/57/06/444995706.db2.gz SIRMLGZXFBHOSW-LBPRGKRZSA-N 1 1 328.731 1.907 20 5 EDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000330583407 445046260 /nfs/dbraw/zinc/04/62/60/445046260.db2.gz KGGAQHGTTUZFRO-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000330583407 445046262 /nfs/dbraw/zinc/04/62/62/445046262.db2.gz KGGAQHGTTUZFRO-QWHCGFSZSA-N 1 1 343.387 1.945 20 5 EDBDMO O=C(NCC[NH+]1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000337497848 445105308 /nfs/dbraw/zinc/10/53/08/445105308.db2.gz JVAPFBZARYMXAQ-UHFFFAOYSA-N 1 1 326.740 1.009 20 5 EDBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000348548853 445323284 /nfs/dbraw/zinc/32/32/84/445323284.db2.gz HBIOKXNBBONQEL-TZMCWYRMSA-N 1 1 338.360 1.492 20 5 EDBDMO CCc1n[nH]c(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000348163232 445296753 /nfs/dbraw/zinc/29/67/53/445296753.db2.gz DUFZREYVDYADGS-GFCCVEGCSA-N 1 1 335.408 1.684 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000348163232 445296754 /nfs/dbraw/zinc/29/67/54/445296754.db2.gz DUFZREYVDYADGS-GFCCVEGCSA-N 1 1 335.408 1.684 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000348163232 445296755 /nfs/dbraw/zinc/29/67/55/445296755.db2.gz DUFZREYVDYADGS-GFCCVEGCSA-N 1 1 335.408 1.684 20 5 EDBDMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000357062723 445402489 /nfs/dbraw/zinc/40/24/89/445402489.db2.gz XGXGYAVTMBFOOU-NSHDSACASA-N 1 1 332.364 1.565 20 5 EDBDMO CCOC(=O)[C@](C)(O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000354820184 445408897 /nfs/dbraw/zinc/40/88/97/445408897.db2.gz PWMBPSHAKOVNPL-MRXNPFEDSA-N 1 1 337.376 1.031 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@]1(CO)CCOC1 ZINC000359784966 445427442 /nfs/dbraw/zinc/42/74/42/445427442.db2.gz ARZHTPINJIGTIJ-INIZCTEOSA-N 1 1 337.376 1.315 20 5 EDBDMO O=C(C[N@H+]1CCC[C@H]2COCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000362453821 445390070 /nfs/dbraw/zinc/39/00/70/445390070.db2.gz PORBEEGAVLPHPQ-HOCLYGCPSA-N 1 1 345.399 1.985 20 5 EDBDMO COc1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000352013345 445438568 /nfs/dbraw/zinc/43/85/68/445438568.db2.gz IVYRNKFTNLODKU-MNOVXSKESA-N 1 1 337.376 1.777 20 5 EDBDMO COc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000352013345 445438569 /nfs/dbraw/zinc/43/85/69/445438569.db2.gz IVYRNKFTNLODKU-MNOVXSKESA-N 1 1 337.376 1.777 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000362754786 445533833 /nfs/dbraw/zinc/53/38/33/445533833.db2.gz AZRRVJYVGCZDTQ-LLVKDONJSA-N 1 1 339.417 1.767 20 5 EDBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000362998984 445644376 /nfs/dbraw/zinc/64/43/76/445644376.db2.gz YFPCRKRKMSKHSV-RYUDHWBXSA-N 1 1 337.351 1.856 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1 ZINC000360736404 445729520 /nfs/dbraw/zinc/72/95/20/445729520.db2.gz FWMYFUAKBKDZHU-JSGCOSHPSA-N 1 1 349.387 1.587 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1 ZINC000360736404 445729526 /nfs/dbraw/zinc/72/95/26/445729526.db2.gz FWMYFUAKBKDZHU-JSGCOSHPSA-N 1 1 349.387 1.587 20 5 EDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000360904899 445739164 /nfs/dbraw/zinc/73/91/64/445739164.db2.gz VRGSVWPLFJURKS-NSHDSACASA-N 1 1 325.413 1.401 20 5 EDBDMO COC(=O)COc1ccc(C[NH2+]Cc2ccnn2C)cc1[N+](=O)[O-] ZINC000353790601 445757762 /nfs/dbraw/zinc/75/77/62/445757762.db2.gz PXSPXHBLVDUKCM-UHFFFAOYSA-N 1 1 334.332 1.170 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000363405748 445790892 /nfs/dbraw/zinc/79/08/92/445790892.db2.gz UBEIOSPGSCDIFZ-GHMZBOCLSA-N 1 1 345.446 1.904 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc(O)c2)cc1 ZINC000350350853 445815541 /nfs/dbraw/zinc/81/55/41/445815541.db2.gz GWHFMIPDEMQBBB-UHFFFAOYSA-N 1 1 336.369 1.864 20 5 EDBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000354138743 445936058 /nfs/dbraw/zinc/93/60/58/445936058.db2.gz QYYRSRQDSMUFQD-UHFFFAOYSA-N 1 1 341.331 1.110 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000354202976 445995842 /nfs/dbraw/zinc/99/58/42/445995842.db2.gz JPYHSWQOMNOCHC-RISCZKNCSA-N 1 1 348.403 1.695 20 5 EDBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)cn1 ZINC000369282459 446047622 /nfs/dbraw/zinc/04/76/22/446047622.db2.gz GVXOGNIOZYUDAV-TZMCWYRMSA-N 1 1 334.380 1.150 20 5 EDBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)cn1 ZINC000369282459 446047629 /nfs/dbraw/zinc/04/76/29/446047629.db2.gz GVXOGNIOZYUDAV-TZMCWYRMSA-N 1 1 334.380 1.150 20 5 EDBDMO O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CC1[N+](=O)[O-] ZINC000369231028 446008617 /nfs/dbraw/zinc/00/86/17/446008617.db2.gz KNJOEMJFKPHIFV-STQMWFEESA-N 1 1 327.450 1.520 20 5 EDBDMO CCOc1ccc(NC(=O)C[NH2+][C@](C)(CC)C(N)=O)c([N+](=O)[O-])c1 ZINC000351415706 446061355 /nfs/dbraw/zinc/06/13/55/446061355.db2.gz OSWIKMONQAVRKX-OAHLLOKOSA-N 1 1 338.364 1.176 20 5 EDBDMO COC(=O)[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000373185369 446085443 /nfs/dbraw/zinc/08/54/43/446085443.db2.gz ZPCRCTHUJBREMC-CABCVRRESA-N 1 1 334.372 1.903 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000356903484 446109282 /nfs/dbraw/zinc/10/92/82/446109282.db2.gz PRIGRGZTUXOFCG-NEPJUHHUSA-N 1 1 349.387 1.936 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000356903484 446109288 /nfs/dbraw/zinc/10/92/88/446109288.db2.gz PRIGRGZTUXOFCG-NEPJUHHUSA-N 1 1 349.387 1.936 20 5 EDBDMO Cc1ncccc1O[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000365276488 446121177 /nfs/dbraw/zinc/12/11/77/446121177.db2.gz ROJUNENDRDTPFM-LSDHHAIUSA-N 1 1 347.375 1.009 20 5 EDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000354398391 446176885 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FNDHASDLKZPROO-ZNMIVQPWSA-N 1 1 347.419 1.433 20 5 EDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@]2(CCCOC2)O1 ZINC000366564962 446264306 /nfs/dbraw/zinc/26/43/06/446264306.db2.gz FDZBVZBPAAZXJZ-XJKSGUPXSA-N 1 1 337.376 1.026 20 5 EDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@]2(CCCOC2)O1 ZINC000366564962 446264312 /nfs/dbraw/zinc/26/43/12/446264312.db2.gz FDZBVZBPAAZXJZ-XJKSGUPXSA-N 1 1 337.376 1.026 20 5 EDBDMO CN1CCC[C@]2(CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000370409857 446266840 /nfs/dbraw/zinc/26/68/40/446266840.db2.gz JKGRQYVPVGPNHY-QGZVFWFLSA-N 1 1 333.388 1.918 20 5 EDBDMO CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000365694589 446304663 /nfs/dbraw/zinc/30/46/63/446304663.db2.gz CZZHDVBKYGVEKJ-DZGCQCFKSA-N 1 1 349.435 1.760 20 5 EDBDMO Cc1cccc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000374219932 446358421 /nfs/dbraw/zinc/35/84/21/446358421.db2.gz LSRNDEWJIQNDQB-HNNXBMFYSA-N 1 1 346.431 1.755 20 5 EDBDMO O=C1C[NH2+]CCN1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000420248164 446430996 /nfs/dbraw/zinc/43/09/96/446430996.db2.gz VVHYEDCVTMILIN-SNVBAGLBSA-N 1 1 339.783 1.044 20 5 EDBDMO COC(=O)c1cc(C)nc(NC[C@H]2CC[NH2+]CC2(F)F)c1[N+](=O)[O-] ZINC000420285894 446450845 /nfs/dbraw/zinc/45/08/45/446450845.db2.gz PRHAQXJKHABFIP-SECBINFHSA-N 1 1 344.318 1.742 20 5 EDBDMO C[C@H]1CCC[N@H+]1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000370898789 446506576 /nfs/dbraw/zinc/50/65/76/446506576.db2.gz HDWNVICJDUVTRS-XJKSGUPXSA-N 1 1 337.424 1.101 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341802 446513166 /nfs/dbraw/zinc/51/31/66/446513166.db2.gz QHCFJODAGLGRCS-OKILXGFUSA-N 1 1 332.404 1.773 20 5 EDBDMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000370991174 446561545 /nfs/dbraw/zinc/56/15/45/446561545.db2.gz IHALZYCAWROMAZ-VCOSZWKGSA-N 1 1 333.388 1.747 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000371235287 446707631 /nfs/dbraw/zinc/70/76/31/446707631.db2.gz JQNHNLWNBQFZJJ-RYUDHWBXSA-N 1 1 335.408 1.875 20 5 EDBDMO CON1CCC([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000411820768 446680863 /nfs/dbraw/zinc/68/08/63/446680863.db2.gz RYBFKGBUOPFSBX-UHFFFAOYSA-N 1 1 336.392 1.881 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420756443 446794609 /nfs/dbraw/zinc/79/46/09/446794609.db2.gz AUYUIEBHRVZYND-AWEZNQCLSA-N 1 1 341.433 1.872 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1 ZINC000412033496 446795031 /nfs/dbraw/zinc/79/50/31/446795031.db2.gz FMLNQNCHPZSISF-DARAHFNDSA-N 1 1 336.388 1.427 20 5 EDBDMO C[C@@H]1C[C@H](O)C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000412044183 446806328 /nfs/dbraw/zinc/80/63/28/446806328.db2.gz WFNKVVUEFJPANG-YPMHNXCESA-N 1 1 335.360 1.596 20 5 EDBDMO C[C@@H]1C[C@H](CO)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420937596 446909857 /nfs/dbraw/zinc/90/98/57/446909857.db2.gz JUYXHFFWVYAWJN-WWGRRREGSA-N 1 1 333.388 1.650 20 5 EDBDMO CC(=O)c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000375773684 447037962 /nfs/dbraw/zinc/03/79/62/447037962.db2.gz LMKHKNSGJZWBMC-WBVHZDCISA-N 1 1 333.388 1.833 20 5 EDBDMO C[N@H+]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000375889986 447125033 /nfs/dbraw/zinc/12/50/33/447125033.db2.gz JTLDRZMDSOXROF-HOTGVXAUSA-N 1 1 343.387 1.395 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000455463931 447137034 /nfs/dbraw/zinc/13/70/34/447137034.db2.gz MLMYEUYJDOGHIJ-GFCCVEGCSA-N 1 1 336.392 1.688 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000455463931 447137041 /nfs/dbraw/zinc/13/70/41/447137041.db2.gz MLMYEUYJDOGHIJ-GFCCVEGCSA-N 1 1 336.392 1.688 20 5 EDBDMO CNC(=O)CC[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425401105 447146100 /nfs/dbraw/zinc/14/61/00/447146100.db2.gz ZWUBFHFHZUKJOP-UHFFFAOYSA-N 1 1 330.182 1.925 20 5 EDBDMO C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000377477754 447151831 /nfs/dbraw/zinc/15/18/31/447151831.db2.gz OGBJXIVXDXNDOH-ZFWWWQNUSA-N 1 1 346.387 1.068 20 5 EDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377481223 447153297 /nfs/dbraw/zinc/15/32/97/447153297.db2.gz HUCSHFITKKTZCC-ZIAGYGMSSA-N 1 1 348.403 1.376 20 5 EDBDMO C[N@H+](Cc1cc(F)cc(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444711756 447125609 /nfs/dbraw/zinc/12/56/09/447125609.db2.gz XJVZNZPKGZRBKN-AWEZNQCLSA-N 1 1 326.303 1.562 20 5 EDBDMO O=C(CC[N@H+]1CCC[C@H](n2ccnn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000425501125 447195901 /nfs/dbraw/zinc/19/59/01/447195901.db2.gz NLYPMAOQSLBYRZ-HNNXBMFYSA-N 1 1 344.375 1.852 20 5 EDBDMO Cc1ccc(NC(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000376069583 447249234 /nfs/dbraw/zinc/24/92/34/447249234.db2.gz NEHFFZQFQBPIJR-ZDUSSCGKSA-N 1 1 336.392 1.824 20 5 EDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000376036267 447225524 /nfs/dbraw/zinc/22/55/24/447225524.db2.gz XHOPJXPWUNKTOJ-LBPRGKRZSA-N 1 1 334.376 1.315 20 5 EDBDMO CNc1nc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000455809810 447233855 /nfs/dbraw/zinc/23/38/55/447233855.db2.gz ZTOGGDYWQFUJDT-YOGCLGLASA-N 1 1 333.392 1.777 20 5 EDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368972203 447235046 /nfs/dbraw/zinc/23/50/46/447235046.db2.gz FOYMBWJZNNCWJV-WPGHFRTFSA-N 1 1 346.387 1.509 20 5 EDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425684581 447266358 /nfs/dbraw/zinc/26/63/58/447266358.db2.gz WXTHDQAUYPPNIC-GOEBONIOSA-N 1 1 332.404 1.873 20 5 EDBDMO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000451934475 447790143 /nfs/dbraw/zinc/79/01/43/447790143.db2.gz QOOJHRXJASCEIE-AWEZNQCLSA-N 1 1 341.433 1.841 20 5 EDBDMO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000451934475 447790146 /nfs/dbraw/zinc/79/01/46/447790146.db2.gz QOOJHRXJASCEIE-AWEZNQCLSA-N 1 1 341.433 1.841 20 5 EDBDMO C[C@@H](O)C[N@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000486929472 447826523 /nfs/dbraw/zinc/82/65/23/447826523.db2.gz DABQWFKGXMXUEH-NWDGAFQWSA-N 1 1 347.375 1.536 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2noc(N[C@H]3CCn4cc[nH+]c4C3)n2)cc1 ZINC000489914474 447879353 /nfs/dbraw/zinc/87/93/53/447879353.db2.gz MRXRNSUPHZJITL-NSHDSACASA-N 1 1 326.316 2.268 20 5 EDBDMO COc1cc(OCC(=O)NCC[N@H+]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000524774685 447951830 /nfs/dbraw/zinc/95/18/30/447951830.db2.gz WGDNJXULKYCXID-LBPRGKRZSA-N 1 1 337.376 1.440 20 5 EDBDMO C[C@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000576749631 448131415 /nfs/dbraw/zinc/13/14/15/448131415.db2.gz UWXINIFFIFTWAY-CABCVRRESA-N 1 1 337.420 1.656 20 5 EDBDMO COc1ccc(CC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000532080070 448197164 /nfs/dbraw/zinc/19/71/64/448197164.db2.gz INCKKQKTSRUXNZ-SMDDNHRTSA-N 1 1 333.388 1.745 20 5 EDBDMO O=C(CC[N@@H+]1CCOC[C@]12CCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000591036505 448241432 /nfs/dbraw/zinc/24/14/32/448241432.db2.gz VBHZREVBGPUKNT-MRXNPFEDSA-N 1 1 335.360 1.415 20 5 EDBDMO O=C(CC[N@H+]1CCOC[C@]12CCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000591036505 448241439 /nfs/dbraw/zinc/24/14/39/448241439.db2.gz VBHZREVBGPUKNT-MRXNPFEDSA-N 1 1 335.360 1.415 20 5 EDBDMO CNc1nccc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000578377104 448531839 /nfs/dbraw/zinc/53/18/39/448531839.db2.gz FVAKSEVUUQSXEH-LBPRGKRZSA-N 1 1 333.392 1.778 20 5 EDBDMO C[C@@H](SC[C@H]1C[N@H+](C)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578532062 448572355 /nfs/dbraw/zinc/57/23/55/448572355.db2.gz YMXYDJVTVZNUHB-VXGBXAGGSA-N 1 1 339.417 1.986 20 5 EDBDMO C[C@@H](SC[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578532062 448572362 /nfs/dbraw/zinc/57/23/62/448572362.db2.gz YMXYDJVTVZNUHB-VXGBXAGGSA-N 1 1 339.417 1.986 20 5 EDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000517455593 448582980 /nfs/dbraw/zinc/58/29/80/448582980.db2.gz UPLIYUOGSZHSIG-LLVKDONJSA-N 1 1 335.360 1.438 20 5 EDBDMO CC1(C)CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000586770230 448805323 /nfs/dbraw/zinc/80/53/23/448805323.db2.gz BQKONCGDOZMRSD-UHFFFAOYSA-N 1 1 329.347 1.762 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000574051623 448780411 /nfs/dbraw/zinc/78/04/11/448780411.db2.gz VRDFYYQOLJDEHS-ZDUSSCGKSA-N 1 1 334.376 1.394 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000574051623 448780415 /nfs/dbraw/zinc/78/04/15/448780415.db2.gz VRDFYYQOLJDEHS-ZDUSSCGKSA-N 1 1 334.376 1.394 20 5 EDBDMO Cn1c2cc(NC[C@@H]3CC[N@H+](C4CC4)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587178315 448836308 /nfs/dbraw/zinc/83/63/08/448836308.db2.gz HDWYGJMFULFAEJ-NSHDSACASA-N 1 1 345.403 1.681 20 5 EDBDMO Cn1c2cc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587309736 448837400 /nfs/dbraw/zinc/83/74/00/448837400.db2.gz NNJNKAAKTZQJES-NWDGAFQWSA-N 1 1 345.403 1.824 20 5 EDBDMO CCCC[N@@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587977130 448849443 /nfs/dbraw/zinc/84/94/43/448849443.db2.gz GDDNGTHLZGRKPG-UHFFFAOYSA-N 1 1 335.408 1.929 20 5 EDBDMO COCC[N@@H+](C)C[C@@H](O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000574464804 448881184 /nfs/dbraw/zinc/88/11/84/448881184.db2.gz UFGABMXXBBXCTE-MRXNPFEDSA-N 1 1 334.376 1.397 20 5 EDBDMO Cn1c2cc(N[C@H]3CCn4cc[nH+]c4C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588022497 448859424 /nfs/dbraw/zinc/85/94/24/448859424.db2.gz XELKTUXKDKFXOP-JTQLQIEISA-N 1 1 342.359 1.409 20 5 EDBDMO C[N@@H+](CCCCNS(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000520372929 448889463 /nfs/dbraw/zinc/88/94/63/448889463.db2.gz AASVZLNZRZRXKN-UHFFFAOYSA-N 1 1 328.394 1.143 20 5 EDBDMO Cc1c(CC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588861933 448941840 /nfs/dbraw/zinc/94/18/40/448941840.db2.gz ZKYNVBGRVHWZMI-CABCVRRESA-N 1 1 333.388 1.113 20 5 EDBDMO C[N@@H+]1C[C@@H]2CCN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590012338 449097235 /nfs/dbraw/zinc/09/72/35/449097235.db2.gz RLQRSYQFKOXKFJ-SWLSCSKDSA-N 1 1 339.417 1.004 20 5 EDBDMO C[N@H+]1C[C@@H]2CCN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590012338 449097237 /nfs/dbraw/zinc/09/72/37/449097237.db2.gz RLQRSYQFKOXKFJ-SWLSCSKDSA-N 1 1 339.417 1.004 20 5 EDBDMO COc1ccc(OCC[N@H+]2CCC[C@](CO)(OC)C2)c([N+](=O)[O-])c1 ZINC000595660282 449103060 /nfs/dbraw/zinc/10/30/60/449103060.db2.gz DBJRYSPBLJYCAM-INIZCTEOSA-N 1 1 340.376 1.456 20 5 EDBDMO CCO[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593737347 449171873 /nfs/dbraw/zinc/17/18/73/449171873.db2.gz YANGWWQNKCUIGW-IUODEOHRSA-N 1 1 336.392 1.219 20 5 EDBDMO CNc1ccc(C(=O)NC2CC([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000600068907 449170079 /nfs/dbraw/zinc/17/00/79/449170079.db2.gz MIZBILTVEWKBJP-UHFFFAOYSA-N 1 1 334.376 1.230 20 5 EDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000590388284 449144022 /nfs/dbraw/zinc/14/40/22/449144022.db2.gz LEDZMTSMIRBHGO-GFCCVEGCSA-N 1 1 348.403 1.624 20 5 EDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000590391517 449145591 /nfs/dbraw/zinc/14/55/91/449145591.db2.gz DQHMUKFLJLVMLV-UHFFFAOYSA-N 1 1 348.403 1.187 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595759001 449151936 /nfs/dbraw/zinc/15/19/36/449151936.db2.gz OKISOHPXZLEQMF-YVEFUNNKSA-N 1 1 349.387 1.900 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000611207145 449214608 /nfs/dbraw/zinc/21/46/08/449214608.db2.gz HJXNYNBCMMPNBE-IINYFYTJSA-N 1 1 337.376 1.633 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000590601106 449215379 /nfs/dbraw/zinc/21/53/79/449215379.db2.gz OMJQBMAQQXLFQB-GFCCVEGCSA-N 1 1 336.392 1.568 20 5 EDBDMO CN1CCCC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000601970838 449252740 /nfs/dbraw/zinc/25/27/40/449252740.db2.gz QNDSRORGHLEJFM-OAHLLOKOSA-N 1 1 348.403 1.866 20 5 EDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000600315269 449315914 /nfs/dbraw/zinc/31/59/14/449315914.db2.gz QVGAJYWXHRNBQO-GFCCVEGCSA-N 1 1 349.387 1.828 20 5 EDBDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000602102627 449347344 /nfs/dbraw/zinc/34/73/44/449347344.db2.gz QYVPNBPIPTUNER-OLZOCXBDSA-N 1 1 333.392 1.344 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594098722 449354353 /nfs/dbraw/zinc/35/43/53/449354353.db2.gz VSMHEMSZSJFQBL-QWHCGFSZSA-N 1 1 334.376 1.494 20 5 EDBDMO O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000598366833 449363981 /nfs/dbraw/zinc/36/39/81/449363981.db2.gz FOKRXKKCEHRXGA-HZPDHXFCSA-N 1 1 345.399 1.968 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)n1 ZINC000598510206 449433932 /nfs/dbraw/zinc/43/39/32/449433932.db2.gz OKUNPTNJFWOQHV-ZDUSSCGKSA-N 1 1 329.360 1.333 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)n1 ZINC000598510206 449433936 /nfs/dbraw/zinc/43/39/36/449433936.db2.gz OKUNPTNJFWOQHV-ZDUSSCGKSA-N 1 1 329.360 1.333 20 5 EDBDMO CNc1c(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000598455010 449404255 /nfs/dbraw/zinc/40/42/55/449404255.db2.gz YXWKRMSHKLFLTB-CYBMUJFWSA-N 1 1 348.403 1.308 20 5 EDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000596268552 449446502 /nfs/dbraw/zinc/44/65/02/449446502.db2.gz LWNVSNQWCNAXGO-UHFFFAOYSA-N 1 1 337.424 1.811 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000596306561 449466806 /nfs/dbraw/zinc/46/68/06/449466806.db2.gz GAZVEFCOQWBUDP-JTQLQIEISA-N 1 1 342.421 1.527 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596307826 449468103 /nfs/dbraw/zinc/46/81/03/449468103.db2.gz FGWRIVKERSZIDY-LLVKDONJSA-N 1 1 342.421 1.527 20 5 EDBDMO Cc1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000598598313 449484117 /nfs/dbraw/zinc/48/41/17/449484117.db2.gz CPZMRBFYHILWRF-UHFFFAOYSA-N 1 1 341.433 1.976 20 5 EDBDMO CNS(=O)(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000598622095 449499535 /nfs/dbraw/zinc/49/95/35/449499535.db2.gz ZJXAYVFCUYIYBH-ZDUSSCGKSA-N 1 1 327.406 1.323 20 5 EDBDMO Cn1cc(CN2CC[NH+](CCOc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000602434620 449584507 /nfs/dbraw/zinc/58/45/07/449584507.db2.gz XKLNKJFSYVQIBU-UHFFFAOYSA-N 1 1 345.403 1.525 20 5 EDBDMO CN1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000602530149 449653057 /nfs/dbraw/zinc/65/30/57/449653057.db2.gz WWVUNMHTVTUZQX-LURJTMIESA-N 1 1 334.195 1.739 20 5 EDBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)CN3CCCC3)CC2)cn1 ZINC000602529877 449653198 /nfs/dbraw/zinc/65/31/98/449653198.db2.gz VZWAOHOZRXOJKB-MRXNPFEDSA-N 1 1 349.435 1.005 20 5 EDBDMO C[N@@H+]1CC=C(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598902889 449639495 /nfs/dbraw/zinc/63/94/95/449639495.db2.gz SSXVNUWWJRUANM-UHFFFAOYSA-N 1 1 347.375 1.094 20 5 EDBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594790546 449699576 /nfs/dbraw/zinc/69/95/76/449699576.db2.gz MPKBCRZLWHBACM-LLVKDONJSA-N 1 1 342.421 1.389 20 5 EDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000601163589 449727015 /nfs/dbraw/zinc/72/70/15/449727015.db2.gz KWNGMZWDMUBIMY-RKDXNWHRSA-N 1 1 349.313 1.256 20 5 EDBDMO CN1C(=O)N[C@@H]2CN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000601164770 449728144 /nfs/dbraw/zinc/72/81/44/449728144.db2.gz VTLXWKXDDPVIHH-HIFRSBDPSA-N 1 1 327.344 1.745 20 5 EDBDMO C[N@H+]1CCN(CCNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000602658385 449735801 /nfs/dbraw/zinc/73/58/01/449735801.db2.gz VSZGUACYVQOEBF-UHFFFAOYSA-N 1 1 347.419 1.852 20 5 EDBDMO CCN1CC[NH+](C[C@H](C)CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601105837 449692726 /nfs/dbraw/zinc/69/27/26/449692726.db2.gz ODWPCFILGHSFIS-GFCCVEGCSA-N 1 1 325.388 1.814 20 5 EDBDMO C[C@@H](C(=O)NCCCCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617698855 449743491 /nfs/dbraw/zinc/74/34/91/449743491.db2.gz XUGQGSACSDXAFD-OAHLLOKOSA-N 1 1 348.447 1.842 20 5 EDBDMO COC(=O)C[C@@H]1CSCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602781597 449804937 /nfs/dbraw/zinc/80/49/37/449804937.db2.gz BJPMRLLPXRWHMX-LLVKDONJSA-N 1 1 328.394 1.080 20 5 EDBDMO COC(=O)C[C@@H]1CSCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602781597 449804943 /nfs/dbraw/zinc/80/49/43/449804943.db2.gz BJPMRLLPXRWHMX-LLVKDONJSA-N 1 1 328.394 1.080 20 5 EDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601314122 449823424 /nfs/dbraw/zinc/82/34/24/449823424.db2.gz YXVUUZJFIPVCGJ-NSHDSACASA-N 1 1 345.396 1.805 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000602825242 449836942 /nfs/dbraw/zinc/83/69/42/449836942.db2.gz KDUFKSUBHQMUFN-WWGRRREGSA-N 1 1 338.408 1.758 20 5 EDBDMO CC1(C)CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000614829412 449837627 /nfs/dbraw/zinc/83/76/27/449837627.db2.gz YBPMPXZETQWXRZ-UHFFFAOYSA-N 1 1 331.376 1.431 20 5 EDBDMO C[C@H]1C[N@@H+](CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000617843292 449874504 /nfs/dbraw/zinc/87/45/04/449874504.db2.gz ZDGVFVKEAUQHOE-ZDUSSCGKSA-N 1 1 345.403 2.451 20 5 EDBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601361142 449874628 /nfs/dbraw/zinc/87/46/28/449874628.db2.gz CNWLFJKCVHKVDV-JTQLQIEISA-N 1 1 345.396 1.662 20 5 EDBDMO COC(=O)c1cnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000599404934 449951324 /nfs/dbraw/zinc/95/13/24/449951324.db2.gz NDQXEFJWHVNFIX-UHFFFAOYSA-N 1 1 330.344 1.846 20 5 EDBDMO COCC(=O)NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595291747 450006899 /nfs/dbraw/zinc/00/68/99/450006899.db2.gz TVUKHRDQNGJNIO-UHFFFAOYSA-N 1 1 325.340 1.461 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599647027 450126340 /nfs/dbraw/zinc/12/63/40/450126340.db2.gz NIJURYLINPYELD-LLVKDONJSA-N 1 1 342.421 1.222 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599674120 450144340 /nfs/dbraw/zinc/14/43/40/450144340.db2.gz YDUZYRDTHRJPKN-BJHJDKERSA-N 1 1 337.376 1.635 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000599687026 450152937 /nfs/dbraw/zinc/15/29/37/450152937.db2.gz ZQRMVUDNKFPBBF-OCCSQVGLSA-N 1 1 334.332 1.915 20 5 EDBDMO CC(=O)NC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599701420 450164152 /nfs/dbraw/zinc/16/41/52/450164152.db2.gz JUXHFPGVEOMTOR-CQSZACIVSA-N 1 1 348.403 1.914 20 5 EDBDMO CC[N@H+]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000595534109 450213735 /nfs/dbraw/zinc/21/37/35/450213735.db2.gz CCUZDOQBNVYFJU-CQSZACIVSA-N 1 1 346.431 1.900 20 5 EDBDMO O=C1C[C@@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)CN1 ZINC000595564335 450237021 /nfs/dbraw/zinc/23/70/21/450237021.db2.gz XMGXRCRFDCHVKL-FVQBIDKESA-N 1 1 347.415 1.836 20 5 EDBDMO Cc1cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000603421773 450293621 /nfs/dbraw/zinc/29/36/21/450293621.db2.gz CCDNTPXYRVFEMW-HNNXBMFYSA-N 1 1 349.435 1.507 20 5 EDBDMO Cc1cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000603421777 450293784 /nfs/dbraw/zinc/29/37/84/450293784.db2.gz CCDNTPXYRVFEMW-OAHLLOKOSA-N 1 1 349.435 1.507 20 5 EDBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000619873558 450349436 /nfs/dbraw/zinc/34/94/36/450349436.db2.gz MPWHLPIHTNWOJP-LLVKDONJSA-N 1 1 338.795 1.368 20 5 EDBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000610928691 450382302 /nfs/dbraw/zinc/38/23/02/450382302.db2.gz HJHBTOWEUQZWCF-GFCCVEGCSA-N 1 1 326.784 1.944 20 5 EDBDMO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000619535947 450500979 /nfs/dbraw/zinc/50/09/79/450500979.db2.gz DSVABXVXSDUMMU-AWEZNQCLSA-N 1 1 333.388 1.883 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342922209 485939064 /nfs/dbraw/zinc/93/90/64/485939064.db2.gz VJXWTMUVRHOWSB-LBPRGKRZSA-N 1 1 346.387 1.917 20 5 EDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000159476729 528023547 /nfs/dbraw/zinc/02/35/47/528023547.db2.gz LGPLYMDQMZHEJK-CYBMUJFWSA-N 1 1 348.403 1.627 20 5 EDBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729497529 578577761 /nfs/dbraw/zinc/57/77/61/578577761.db2.gz PSROOJGULFVAFN-KBPBESRZSA-N 1 1 334.376 1.257 20 5 EDBDMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1C ZINC000732038292 578688097 /nfs/dbraw/zinc/68/80/97/578688097.db2.gz IBTRNTFYSVYEOS-LLVKDONJSA-N 1 1 335.364 1.678 20 5 EDBDMO C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000745942245 579568113 /nfs/dbraw/zinc/56/81/13/579568113.db2.gz CAZJQHQMQUNNGW-JTQLQIEISA-N 1 1 331.369 1.354 20 5 EDBDMO Cc1cc(F)cc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000746224621 579577217 /nfs/dbraw/zinc/57/72/17/579577217.db2.gz ORYRCJXRZHBBPV-UHFFFAOYSA-N 1 1 347.350 1.738 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000749802574 579740442 /nfs/dbraw/zinc/74/04/42/579740442.db2.gz YLYIKSDGXOEEHO-NWDGAFQWSA-N 1 1 333.344 1.819 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000749802574 579740443 /nfs/dbraw/zinc/74/04/43/579740443.db2.gz YLYIKSDGXOEEHO-NWDGAFQWSA-N 1 1 333.344 1.819 20 5 EDBDMO CC(C)(O)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000750091759 579751666 /nfs/dbraw/zinc/75/16/66/579751666.db2.gz BQZKQJXYWAWBGM-INIZCTEOSA-N 1 1 338.404 1.880 20 5 EDBDMO CNC(=O)CCOC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000752093170 579838122 /nfs/dbraw/zinc/83/81/22/579838122.db2.gz GQNNQQWPIYRYNF-UHFFFAOYSA-N 1 1 339.367 1.851 20 5 EDBDMO O=C(NCC[NH+]1CCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000752435390 579859096 /nfs/dbraw/zinc/85/90/96/579859096.db2.gz LAIICKNIECYCKK-UHFFFAOYSA-N 1 1 326.740 1.009 20 5 EDBDMO CCCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776577966 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335.360 1.339 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000818978465 593731952 /nfs/dbraw/zinc/73/19/52/593731952.db2.gz VWUCMTKQHDMNDJ-CYBMUJFWSA-N 1 1 335.360 1.339 20 5 EDBDMO Cc1c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000819718525 593764906 /nfs/dbraw/zinc/76/49/06/593764906.db2.gz YTFVVWIUNUFTOH-XHDPSFHLSA-N 1 1 348.359 1.978 20 5 EDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825363719 594173808 /nfs/dbraw/zinc/17/38/08/594173808.db2.gz AOXFVIWCXARBGZ-NHYWBVRUSA-N 1 1 332.360 1.586 20 5 EDBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(c3cccc(F)n3)CC2)cc1 ZINC000831486153 594641183 /nfs/dbraw/zinc/64/11/83/594641183.db2.gz NMYDAJIAUCEVES-OAHLLOKOSA-N 1 1 346.362 1.985 20 5 EDBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC000831595266 594686185 /nfs/dbraw/zinc/68/61/85/594686185.db2.gz OJNPYCQCPUCFMZ-HZPDHXFCSA-N 1 1 347.415 1.449 20 5 EDBDMO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC000831595266 594686186 /nfs/dbraw/zinc/68/61/86/594686186.db2.gz OJNPYCQCPUCFMZ-HZPDHXFCSA-N 1 1 347.415 1.449 20 5 EDBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC000831595266 594686187 /nfs/dbraw/zinc/68/61/87/594686187.db2.gz OJNPYCQCPUCFMZ-HZPDHXFCSA-N 1 1 347.415 1.449 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC2(C1)OCCO2 ZINC000104083032 594835327 /nfs/dbraw/zinc/83/53/27/594835327.db2.gz RNVKEFYCBKDRIG-UHFFFAOYSA-N 1 1 335.360 1.681 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000836866003 595006970 /nfs/dbraw/zinc/00/69/70/595006970.db2.gz UCQRERBZPQYNAE-PHIMTYICSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000836866003 595006972 /nfs/dbraw/zinc/00/69/72/595006972.db2.gz UCQRERBZPQYNAE-PHIMTYICSA-N 1 1 325.340 1.261 20 5 EDBDMO CC[C@H](C)[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000104687788 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BNWJYFMZGZFJAL-LBPRGKRZSA-N 1 1 336.348 1.978 20 5 EDBDMO CNc1ccc(C(=O)OC[C@]2(C)C[C@@H](OC)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000861340535 595948382 /nfs/dbraw/zinc/94/83/82/595948382.db2.gz INIRHXPLXNCHNE-WBMJQRKESA-N 1 1 337.376 1.903 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861712803 596077239 /nfs/dbraw/zinc/07/72/39/596077239.db2.gz UMIWDJOAXKFTRT-NWDGAFQWSA-N 1 1 339.779 1.529 20 5 EDBDMO NC(=O)c1cn(C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)nn1 ZINC000859593044 596141032 /nfs/dbraw/zinc/14/10/32/596141032.db2.gz ZQTWGIYGWIVASZ-UHFFFAOYSA-N 1 1 348.338 1.261 20 5 EDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854643832 596147433 /nfs/dbraw/zinc/14/74/33/596147433.db2.gz YPIZXOGTWWYNLN-CABCVRRESA-N 1 1 337.351 1.669 20 5 EDBDMO C[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000866799138 596352518 /nfs/dbraw/zinc/35/25/18/596352518.db2.gz FXHXEAUXNSHJRW-GXFFZTMASA-N 1 1 325.340 1.112 20 5 EDBDMO C[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000866799138 596352522 /nfs/dbraw/zinc/35/25/22/596352522.db2.gz FXHXEAUXNSHJRW-GXFFZTMASA-N 1 1 325.340 1.112 20 5 EDBDMO CN(CC(=O)N1CC[N@@H+](C)C(C)(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000871155676 596482429 /nfs/dbraw/zinc/48/24/29/596482429.db2.gz XYTVLMFERVLVNB-UHFFFAOYSA-N 1 1 334.420 1.974 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H](C)N2CC[NH2+]CC2=O)n1 ZINC000863661870 596648430 /nfs/dbraw/zinc/64/84/30/596648430.db2.gz RRIBMSZZYKMEIT-JTQLQIEISA-N 1 1 331.332 1.446 20 5 EDBDMO COc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CC[NH2+]2)cc1 ZINC000870137763 596766430 /nfs/dbraw/zinc/76/64/30/596766430.db2.gz BEHPEUODUPUWDQ-CYBMUJFWSA-N 1 1 331.328 1.983 20 5 EDBDMO C[C@]([NH3+])(C(=O)N1CCO[C@H](C(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000872268840 596861875 /nfs/dbraw/zinc/86/18/75/596861875.db2.gz KXMPDJHTVJGCCV-SWLSCSKDSA-N 1 1 343.330 1.651 20 5 EDBDMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874363050 597034038 /nfs/dbraw/zinc/03/40/38/597034038.db2.gz KCYUOSLAHQGSIO-ZIAGYGMSSA-N 1 1 346.387 1.537 20 5 EDBDMO C[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000125991141 597222670 /nfs/dbraw/zinc/22/26/70/597222670.db2.gz VXWJPBAQOHGJNS-WBMJQRKESA-N 1 1 348.403 1.382 20 5 EDBDMO C[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000125991141 597222673 /nfs/dbraw/zinc/22/26/73/597222673.db2.gz VXWJPBAQOHGJNS-WBMJQRKESA-N 1 1 348.403 1.382 20 5 EDBDMO C[N@H+]1CC[C@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000873789192 597390763 /nfs/dbraw/zinc/39/07/63/597390763.db2.gz RPTNPFLPRQVTIS-CQSZACIVSA-N 1 1 332.404 1.585 20 5 EDBDMO COCCCN1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876996693 597407288 /nfs/dbraw/zinc/40/72/88/597407288.db2.gz ZUTDEOIUJCWSHB-UHFFFAOYSA-N 1 1 337.424 1.585 20 5 EDBDMO C[C@]12C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000877666744 597546139 /nfs/dbraw/zinc/54/61/39/597546139.db2.gz AUGKDICEHOERJN-GASCZTMLSA-N 1 1 337.763 1.733 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000878631063 597661052 /nfs/dbraw/zinc/66/10/52/597661052.db2.gz VZYLGJQEDDDRIW-UHFFFAOYSA-N 1 1 339.396 1.651 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000878631063 597661054 /nfs/dbraw/zinc/66/10/54/597661054.db2.gz VZYLGJQEDDDRIW-UHFFFAOYSA-N 1 1 339.396 1.651 20 5 EDBDMO CONC(=O)C1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000879923750 597766577 /nfs/dbraw/zinc/76/65/77/597766577.db2.gz JFNMPBXQAKJBKA-UHFFFAOYSA-N 1 1 341.339 1.632 20 5 EDBDMO CC(C)(O)[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000880146115 597856607 /nfs/dbraw/zinc/85/66/07/597856607.db2.gz KQBQKTPQSJDTPH-DOMZBBRYSA-N 1 1 333.388 1.793 20 5 EDBDMO CCOC(=O)[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCC1(F)F ZINC000879367986 597901313 /nfs/dbraw/zinc/90/13/13/597901313.db2.gz SUQLRFLZGNOJNN-LLVKDONJSA-N 1 1 346.334 1.620 20 5 EDBDMO CCOC(=O)[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CCC1(F)F ZINC000879367986 597901316 /nfs/dbraw/zinc/90/13/16/597901316.db2.gz SUQLRFLZGNOJNN-LLVKDONJSA-N 1 1 346.334 1.620 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000880586061 597972249 /nfs/dbraw/zinc/97/22/49/597972249.db2.gz MTCPYJZRSBBTGH-HNNXBMFYSA-N 1 1 336.388 1.837 20 5 EDBDMO COC(=O)[C@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000917480039 697024787 /nfs/dbraw/zinc/02/47/87/697024787.db2.gz WAKHNOZPOBOGMR-LBPRGKRZSA-N 1 1 331.332 1.306 20 5 EDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000917480039 697024790 /nfs/dbraw/zinc/02/47/90/697024790.db2.gz WAKHNOZPOBOGMR-LBPRGKRZSA-N 1 1 331.332 1.306 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000917655964 697056076 /nfs/dbraw/zinc/05/60/76/697056076.db2.gz WQHZRCBZGHWIOJ-CHWSQXEVSA-N 1 1 339.417 1.808 20 5 EDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000917654360 697059201 /nfs/dbraw/zinc/05/92/01/697059201.db2.gz FPLHLGIEIYPVLK-RYUDHWBXSA-N 1 1 325.390 1.500 20 5 EDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000917654589 697059228 /nfs/dbraw/zinc/05/92/28/697059228.db2.gz HSWZUOCNELNHOL-DGCLKSJQSA-N 1 1 325.390 1.500 20 5 EDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1n[nH]cc1F ZINC001031954930 701558413 /nfs/dbraw/zinc/55/84/13/701558413.db2.gz KPNISMCQABWUNM-UHFFFAOYSA-N 1 1 333.323 1.319 20 5 EDBDMO CCc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001002781516 709386899 /nfs/dbraw/zinc/38/68/99/709386899.db2.gz FAOKVZCHAOIYGX-IAGOWNOFSA-N 1 1 331.416 1.995 20 5 EDBDMO COCc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001002783941 709389770 /nfs/dbraw/zinc/38/97/70/709389770.db2.gz WRCXZNCSEJLCND-IAGOWNOFSA-N 1 1 347.415 1.579 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034643229 710319390 /nfs/dbraw/zinc/31/93/90/710319390.db2.gz KQNAHCZMFWZWIV-QBPKDAKJSA-N 1 1 347.415 1.361 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ncn[nH]1 ZINC001034758006 711012152 /nfs/dbraw/zinc/01/21/52/711012152.db2.gz UAEINRHMILJVEK-JOCQHMNTSA-N 1 1 344.375 1.544 20 5 EDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1nc[nH]n1 ZINC001034758006 711012155 /nfs/dbraw/zinc/01/21/55/711012155.db2.gz UAEINRHMILJVEK-JOCQHMNTSA-N 1 1 344.375 1.544 20 5 EDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000131582713 529385923 /nfs/dbraw/zinc/38/59/23/529385923.db2.gz CYFYKWBHPMOGEH-LLVKDONJSA-N 1 1 325.340 1.263 20 5 EDBDMO CC[C@]1(CO)CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000187550637 529424054 /nfs/dbraw/zinc/42/40/54/529424054.db2.gz OSQNFECFLIAPOD-SFHVURJKSA-N 1 1 347.415 1.968 20 5 EDBDMO CC[C@]1(CO)CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000187550637 529424055 /nfs/dbraw/zinc/42/40/55/529424055.db2.gz OSQNFECFLIAPOD-SFHVURJKSA-N 1 1 347.415 1.968 20 5 EDBDMO CNC(=O)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175044672 529846914 /nfs/dbraw/zinc/84/69/14/529846914.db2.gz GOVICQJLCJSTTP-GFCCVEGCSA-N 1 1 348.403 1.770 20 5 EDBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000103284716 219283035 /nfs/dbraw/zinc/28/30/35/219283035.db2.gz BZCISSKIJBCXRP-ZYHUDNBSSA-N 1 1 345.359 1.731 20 5 EDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000561613729 306289583 /nfs/dbraw/zinc/28/95/83/306289583.db2.gz AQCCWZTXISACIQ-ZDUSSCGKSA-N 1 1 335.360 1.548 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000561613729 306289584 /nfs/dbraw/zinc/28/95/84/306289584.db2.gz AQCCWZTXISACIQ-ZDUSSCGKSA-N 1 1 335.360 1.548 20 5 EDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000440852072 305213371 /nfs/dbraw/zinc/21/33/71/305213371.db2.gz GZZNXKOMEGIJSD-LBPRGKRZSA-N 1 1 327.406 1.666 20 5 EDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000562699301 306305884 /nfs/dbraw/zinc/30/58/84/306305884.db2.gz BBAWXEOZPVIDJX-LLVKDONJSA-N 1 1 348.359 1.055 20 5 EDBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)Nc1ccncc1[N+](=O)[O-] ZINC000183568806 235144391 /nfs/dbraw/zinc/14/43/91/235144391.db2.gz KGBJTZJHDRUBKU-LBPRGKRZSA-N 1 1 337.380 1.348 20 5 EDBDMO Cc1sc(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000184407083 235390010 /nfs/dbraw/zinc/39/00/10/235390010.db2.gz IFPRVCFCMRWMSW-LLVKDONJSA-N 1 1 340.449 1.721 20 5 EDBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000563580886 306339647 /nfs/dbraw/zinc/33/96/47/306339647.db2.gz CRAXYSCCRTVFEJ-NSHDSACASA-N 1 1 339.417 1.895 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000090464374 138278964 /nfs/dbraw/zinc/27/89/64/138278964.db2.gz FWMYFUAKBKDZHU-OCCSQVGLSA-N 1 1 349.387 1.587 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000090464374 138278965 /nfs/dbraw/zinc/27/89/65/138278965.db2.gz FWMYFUAKBKDZHU-OCCSQVGLSA-N 1 1 349.387 1.587 20 5 EDBDMO C[C@@H]1CCC[N@H+]1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090564482 138279666 /nfs/dbraw/zinc/27/96/66/138279666.db2.gz VTWBYCUOUOONDH-CQSZACIVSA-N 1 1 334.420 1.705 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000264613186 283324440 /nfs/dbraw/zinc/32/44/40/283324440.db2.gz PWSBSWPSVIGGRZ-VIFPVBQESA-N 1 1 338.393 1.056 20 5 EDBDMO C[C@@]1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000565062837 306374109 /nfs/dbraw/zinc/37/41/09/306374109.db2.gz ONZKYXKZGISKEZ-QGZVFWFLSA-N 1 1 343.387 1.572 20 5 EDBDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCOCC2 ZINC000414183492 304104821 /nfs/dbraw/zinc/10/48/21/304104821.db2.gz NGLLZOAEAQITHY-GJZGRUSLSA-N 1 1 338.408 1.289 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000109966994 220005821 /nfs/dbraw/zinc/00/58/21/220005821.db2.gz UQDPWQSPDMSDLP-OAHLLOKOSA-N 1 1 348.403 1.315 20 5 EDBDMO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000111268871 220129132 /nfs/dbraw/zinc/12/91/32/220129132.db2.gz ZNYLWOGTKMVIIY-GFCCVEGCSA-N 1 1 334.376 1.016 20 5 EDBDMO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000111268871 220129135 /nfs/dbraw/zinc/12/91/35/220129135.db2.gz ZNYLWOGTKMVIIY-GFCCVEGCSA-N 1 1 334.376 1.016 20 5 EDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245409725 139072598 /nfs/dbraw/zinc/07/25/98/139072598.db2.gz NSPFFEFAQIQNAZ-NEPJUHHUSA-N 1 1 334.376 1.509 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245431271 139074159 /nfs/dbraw/zinc/07/41/59/139074159.db2.gz MUSJNBIDMZEFRP-STQMWFEESA-N 1 1 336.392 1.822 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245431271 139074160 /nfs/dbraw/zinc/07/41/60/139074160.db2.gz MUSJNBIDMZEFRP-STQMWFEESA-N 1 1 336.392 1.822 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000246576830 139113609 /nfs/dbraw/zinc/11/36/09/139113609.db2.gz LRBPKWQQDWQFRV-XYPHTWIQSA-N 1 1 349.435 1.101 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000246576830 139113610 /nfs/dbraw/zinc/11/36/10/139113610.db2.gz LRBPKWQQDWQFRV-XYPHTWIQSA-N 1 1 349.435 1.101 20 5 EDBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000092843435 218176593 /nfs/dbraw/zinc/17/65/93/218176593.db2.gz JYUJYWWRCXXYRN-CQSZACIVSA-N 1 1 327.406 1.151 20 5 EDBDMO CC[N@@H+](CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)C1CC1 ZINC000092992178 218184558 /nfs/dbraw/zinc/18/45/58/218184558.db2.gz YIEVJIJZBBKYNP-UHFFFAOYSA-N 1 1 345.396 1.805 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261700865 139218818 /nfs/dbraw/zinc/21/88/18/139218818.db2.gz JOGUTBGIWJRZBF-CQSZACIVSA-N 1 1 329.360 1.423 20 5 EDBDMO CC1(C)CCC[NH2+][C@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261913039 139236277 /nfs/dbraw/zinc/23/62/77/139236277.db2.gz QKSBIHITQPCSJZ-LBPRGKRZSA-N 1 1 345.396 1.790 20 5 EDBDMO C[C@H](O)C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000153127617 224062606 /nfs/dbraw/zinc/06/26/06/224062606.db2.gz XXFFSRWUHMXJTM-WOSRLPQWSA-N 1 1 333.388 1.935 20 5 EDBDMO COC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000112628067 220360132 /nfs/dbraw/zinc/36/01/32/220360132.db2.gz LLOFVYTVLYESPC-AWEZNQCLSA-N 1 1 335.360 1.869 20 5 EDBDMO COC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000112628067 220360136 /nfs/dbraw/zinc/36/01/36/220360136.db2.gz LLOFVYTVLYESPC-AWEZNQCLSA-N 1 1 335.360 1.869 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000152849343 533138168 /nfs/dbraw/zinc/13/81/68/533138168.db2.gz TYHUDUGZEXGIIZ-RYUDHWBXSA-N 1 1 337.376 1.777 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000152849343 533138173 /nfs/dbraw/zinc/13/81/73/533138173.db2.gz TYHUDUGZEXGIIZ-RYUDHWBXSA-N 1 1 337.376 1.777 20 5 EDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000488754026 255052656 /nfs/dbraw/zinc/05/26/56/255052656.db2.gz OFPKUXDPPOFOSQ-VXGBXAGGSA-N 1 1 335.360 1.596 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491508897 255127382 /nfs/dbraw/zinc/12/73/82/255127382.db2.gz ZKBHBOONDANBCM-HVHJFMEUSA-N 1 1 333.388 1.835 20 5 EDBDMO C[N@H+]1CCN(CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000493328886 255204447 /nfs/dbraw/zinc/20/44/47/255204447.db2.gz XMHLPDASKVTFJK-TWGQIWQCSA-N 1 1 346.431 1.750 20 5 EDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](CCO)CCN1CCOCC1 ZINC000347379762 533407051 /nfs/dbraw/zinc/40/70/51/533407051.db2.gz WMHUXRHHRKJGJF-DTQAZKPQSA-N 1 1 349.431 1.625 20 5 EDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347379961 533407771 /nfs/dbraw/zinc/40/77/71/533407771.db2.gz RQFLBFRGQSSKNE-INDWDQIESA-N 1 1 339.417 1.751 20 5 EDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347379961 533407773 /nfs/dbraw/zinc/40/77/73/533407773.db2.gz RQFLBFRGQSSKNE-INDWDQIESA-N 1 1 339.417 1.751 20 5 EDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416293870 304303936 /nfs/dbraw/zinc/30/39/36/304303936.db2.gz KJIHXPSVCAZXSQ-QWRGUYRKSA-N 1 1 325.340 1.261 20 5 EDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416293870 304303937 /nfs/dbraw/zinc/30/39/37/304303937.db2.gz KJIHXPSVCAZXSQ-QWRGUYRKSA-N 1 1 325.340 1.261 20 5 EDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000270554738 140122732 /nfs/dbraw/zinc/12/27/32/140122732.db2.gz RYKKNNQPQKTWDC-NSHDSACASA-N 1 1 341.795 1.777 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000331416888 141022016 /nfs/dbraw/zinc/02/20/16/141022016.db2.gz AGCMNJRLXIBXTL-YPMHNXCESA-N 1 1 339.417 1.664 20 5 EDBDMO Cc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000331416888 141022018 /nfs/dbraw/zinc/02/20/18/141022018.db2.gz AGCMNJRLXIBXTL-YPMHNXCESA-N 1 1 339.417 1.664 20 5 EDBDMO Cc1c[nH+]cn1C1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000331613661 141057127 /nfs/dbraw/zinc/05/71/27/141057127.db2.gz CWZRAOXBXDCJFY-UHFFFAOYSA-N 1 1 332.364 1.468 20 5 EDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331782753 141080427 /nfs/dbraw/zinc/08/04/27/141080427.db2.gz SMZOGTJECHPIPS-MJBXVCDLSA-N 1 1 335.408 1.655 20 5 EDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000332057889 141116120 /nfs/dbraw/zinc/11/61/20/141116120.db2.gz ZWIKIOQUPPFNCO-NEPJUHHUSA-N 1 1 346.387 1.603 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000332057889 141116121 /nfs/dbraw/zinc/11/61/21/141116121.db2.gz ZWIKIOQUPPFNCO-NEPJUHHUSA-N 1 1 346.387 1.603 20 5 EDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000345013297 143039386 /nfs/dbraw/zinc/03/93/86/143039386.db2.gz QRPXBLMHNNWHFM-ZOWXZIJZSA-N 1 1 348.403 1.312 20 5 EDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000346157642 143173424 /nfs/dbraw/zinc/17/34/24/143173424.db2.gz CETYCOSWEFSVFC-ZOWXZIJZSA-N 1 1 332.404 1.979 20 5 EDBDMO CCCc1n[nH]c(C(=O)NCCNc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000346242008 143182756 /nfs/dbraw/zinc/18/27/56/143182756.db2.gz OONZZPAQQAALSN-UHFFFAOYSA-N 1 1 332.364 1.816 20 5 EDBDMO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000346685089 143231569 /nfs/dbraw/zinc/23/15/69/143231569.db2.gz IJHKYSJFVSHXFL-SMDDNHRTSA-N 1 1 347.371 1.367 20 5 EDBDMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000346685089 143231570 /nfs/dbraw/zinc/23/15/70/143231570.db2.gz IJHKYSJFVSHXFL-SMDDNHRTSA-N 1 1 347.371 1.367 20 5 EDBDMO C[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000347297629 143305123 /nfs/dbraw/zinc/30/51/23/143305123.db2.gz HESBOWASFJQMAL-LLVKDONJSA-N 1 1 340.355 1.824 20 5 EDBDMO Cc1nn(C)c(-c2nc([C@@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000347339192 143310566 /nfs/dbraw/zinc/31/05/66/143310566.db2.gz NVAKENBWRFMDDO-BONVTDFDSA-N 1 1 348.363 1.613 20 5 EDBDMO O=C([C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1)N1CCCC1 ZINC000347444845 143321906 /nfs/dbraw/zinc/32/19/06/143321906.db2.gz FYTJXBKMDHTXDI-GFCCVEGCSA-N 1 1 343.387 1.915 20 5 EDBDMO O=C([C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1)N1CCCC1 ZINC000347444845 143321907 /nfs/dbraw/zinc/32/19/07/143321907.db2.gz FYTJXBKMDHTXDI-GFCCVEGCSA-N 1 1 343.387 1.915 20 5 EDBDMO Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000573137996 306613046 /nfs/dbraw/zinc/61/30/46/306613046.db2.gz CFXGBFWXHZWMHT-JSGCOSHPSA-N 1 1 341.371 1.200 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000355343287 150225728 /nfs/dbraw/zinc/22/57/28/150225728.db2.gz ZCBQYBCAJZPYDJ-HUUCEWRRSA-N 1 1 337.351 1.669 20 5 EDBDMO CC[C@@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H]1O ZINC000355753295 150386753 /nfs/dbraw/zinc/38/67/53/150386753.db2.gz ZLUMCLYVVAAZNU-TZMCWYRMSA-N 1 1 338.360 1.349 20 5 EDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357967951 151214846 /nfs/dbraw/zinc/21/48/46/151214846.db2.gz ZZJOIDWLNJMCHO-TZMCWYRMSA-N 1 1 343.387 1.894 20 5 EDBDMO C[N@H+]1CC[C@](O)(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000358176070 151295357 /nfs/dbraw/zinc/29/53/57/151295357.db2.gz WDWQLJORVGMZGX-AWEZNQCLSA-N 1 1 331.319 1.352 20 5 EDBDMO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000360650283 152138528 /nfs/dbraw/zinc/13/85/28/152138528.db2.gz CFZKCCXKJAEAQG-GHMZBOCLSA-N 1 1 343.405 1.364 20 5 EDBDMO CC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000360769074 152195948 /nfs/dbraw/zinc/19/59/48/152195948.db2.gz PTWZGTQZEUCLFS-JTQLQIEISA-N 1 1 347.824 1.929 20 5 EDBDMO CC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000360769074 152195950 /nfs/dbraw/zinc/19/59/50/152195950.db2.gz PTWZGTQZEUCLFS-JTQLQIEISA-N 1 1 347.824 1.929 20 5 EDBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000363875492 153082765 /nfs/dbraw/zinc/08/27/65/153082765.db2.gz ZTDNLUSGJLPPFV-SNPRPXQTSA-N 1 1 348.403 1.609 20 5 EDBDMO COc1cc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)ccc1[N+](=O)[O-] ZINC000364059002 153134833 /nfs/dbraw/zinc/13/48/33/153134833.db2.gz YGVDRZPYCWJSBI-OAHLLOKOSA-N 1 1 348.403 1.394 20 5 EDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000364502720 153254289 /nfs/dbraw/zinc/25/42/89/153254289.db2.gz NWFORXNRYDRWQM-HNNXBMFYSA-N 1 1 346.387 1.149 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000372581384 286381387 /nfs/dbraw/zinc/38/13/87/286381387.db2.gz FXOUJKUBQPXVNF-CVEARBPZSA-N 1 1 349.387 1.275 20 5 EDBDMO COC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C1CC1 ZINC000367526572 154160903 /nfs/dbraw/zinc/16/09/03/154160903.db2.gz JEXYNBVSARZLJL-OLZOCXBDSA-N 1 1 347.371 1.664 20 5 EDBDMO COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C1CC1 ZINC000367526572 154160909 /nfs/dbraw/zinc/16/09/09/154160909.db2.gz JEXYNBVSARZLJL-OLZOCXBDSA-N 1 1 347.371 1.664 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000367551241 154171373 /nfs/dbraw/zinc/17/13/73/154171373.db2.gz YNYCDGXYADYFRI-QMTHXVAHSA-N 1 1 349.416 1.813 20 5 EDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000367841119 154294645 /nfs/dbraw/zinc/29/46/45/154294645.db2.gz JLWJPCUHUAEQGA-CFVMTHIKSA-N 1 1 347.419 1.377 20 5 EDBDMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000367916951 154323996 /nfs/dbraw/zinc/32/39/96/154323996.db2.gz KFIDRAQWPGYTFO-QWHCGFSZSA-N 1 1 333.392 1.892 20 5 EDBDMO COc1cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000372012047 156208621 /nfs/dbraw/zinc/20/86/21/156208621.db2.gz VJYGTOSGZAFDAW-CYBMUJFWSA-N 1 1 339.367 1.649 20 5 EDBDMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000377938876 158033463 /nfs/dbraw/zinc/03/34/63/158033463.db2.gz IVEYXTHMLFYGJK-ZDUSSCGKSA-N 1 1 344.375 1.537 20 5 EDBDMO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665190 287255435 /nfs/dbraw/zinc/25/54/35/287255435.db2.gz IPLVDGSFLSHXJQ-OLZOCXBDSA-N 1 1 335.408 1.637 20 5 EDBDMO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665190 287255437 /nfs/dbraw/zinc/25/54/37/287255437.db2.gz IPLVDGSFLSHXJQ-OLZOCXBDSA-N 1 1 335.408 1.637 20 5 EDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000159329731 225195993 /nfs/dbraw/zinc/19/59/93/225195993.db2.gz XQZXEZDBSONNMV-UHFFFAOYSA-N 1 1 329.360 1.666 20 5 EDBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000124059670 222371397 /nfs/dbraw/zinc/37/13/97/222371397.db2.gz GRIMABOWSVHJQL-NXEZZACHSA-N 1 1 343.380 1.637 20 5 EDBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000124059670 222371399 /nfs/dbraw/zinc/37/13/99/222371399.db2.gz GRIMABOWSVHJQL-NXEZZACHSA-N 1 1 343.380 1.637 20 5 EDBDMO C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000273016273 267962513 /nfs/dbraw/zinc/96/25/13/267962513.db2.gz SCUCFPILXQYQCH-NHYWBVRUSA-N 1 1 332.360 1.156 20 5 EDBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000275113871 268283560 /nfs/dbraw/zinc/28/35/60/268283560.db2.gz DRDXTBOFNKZJSX-JTQLQIEISA-N 1 1 327.768 1.387 20 5 EDBDMO C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275424336 268340870 /nfs/dbraw/zinc/34/08/70/268340870.db2.gz DFNCGQPLLFACGC-JTQLQIEISA-N 1 1 339.421 1.585 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000275444284 268343344 /nfs/dbraw/zinc/34/33/44/268343344.db2.gz WWAIKRSHZBJIHA-UWVGGRQHSA-N 1 1 325.394 1.195 20 5 EDBDMO COCCO[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000275508081 268353143 /nfs/dbraw/zinc/35/31/43/268353143.db2.gz HQZDTIJSAVDULG-KBPBESRZSA-N 1 1 340.376 1.072 20 5 EDBDMO C[C@@H]1C[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000273465476 273041597 /nfs/dbraw/zinc/04/15/97/273041597.db2.gz JDMNONCGNBIJPF-ZJUUUORDSA-N 1 1 340.405 1.279 20 5 EDBDMO O=C(NCC[N@H+]1CCCOCC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000275903477 273132823 /nfs/dbraw/zinc/13/28/23/273132823.db2.gz SDKFSPRMMVYKIA-UHFFFAOYSA-N 1 1 332.360 1.528 20 5 EDBDMO COCC[N@@H+](C)CCCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000276501365 273167405 /nfs/dbraw/zinc/16/74/05/273167405.db2.gz CHWDWCKEYNMZLL-UHFFFAOYSA-N 1 1 326.353 1.157 20 5 EDBDMO CCC[C@@]1(CO)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000277821193 273229306 /nfs/dbraw/zinc/22/93/06/273229306.db2.gz QWVGPKTVTMYYND-WBVHZDCISA-N 1 1 338.404 1.962 20 5 EDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000277950859 273237598 /nfs/dbraw/zinc/23/75/98/273237598.db2.gz JOBSCHAGYCTWMR-UHFFFAOYSA-N 1 1 348.403 1.186 20 5 EDBDMO Cn1cc([C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C(N)=O)cn1 ZINC000284534682 274236502 /nfs/dbraw/zinc/23/65/02/274236502.db2.gz HEIDHCOZMVRNKO-KGLIPLIRSA-N 1 1 329.360 1.029 20 5 EDBDMO C[N@H+]1CC[C@@H]2OCCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@@H]2C1 ZINC000284540082 274238258 /nfs/dbraw/zinc/23/82/58/274238258.db2.gz LPJSGTPFNLHJIX-CVEARBPZSA-N 1 1 346.387 1.389 20 5 EDBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000188012552 274319141 /nfs/dbraw/zinc/31/91/41/274319141.db2.gz VLXWHGCIMJBCLO-ACJLOTCBSA-N 1 1 347.415 1.967 20 5 EDBDMO C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@@H+]1C1CCN(C)CC1 ZINC000367174951 274362172 /nfs/dbraw/zinc/36/21/72/274362172.db2.gz XYRMWWIIRYVDTD-CYBMUJFWSA-N 1 1 333.436 1.782 20 5 EDBDMO C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@H+]1C1CCN(C)CC1 ZINC000367174951 274362173 /nfs/dbraw/zinc/36/21/73/274362173.db2.gz XYRMWWIIRYVDTD-CYBMUJFWSA-N 1 1 333.436 1.782 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C[C@@H]21 ZINC000378491052 277143751 /nfs/dbraw/zinc/14/37/51/277143751.db2.gz FHEPTLKNIRKKPS-MFKMUULPSA-N 1 1 333.344 1.490 20 5 EDBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286512405 288023835 /nfs/dbraw/zinc/02/38/35/288023835.db2.gz YZKMKJRUDDZCHE-QWRGUYRKSA-N 1 1 349.416 1.899 20 5 EDBDMO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000290064055 288831939 /nfs/dbraw/zinc/83/19/39/288831939.db2.gz FIGCRRYLLNDPKA-JCOFBHIZSA-N 1 1 343.767 1.579 20 5 EDBDMO CON(C)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000291192753 289015681 /nfs/dbraw/zinc/01/56/81/289015681.db2.gz GUCDOSBKFRXBNM-UHFFFAOYSA-N 1 1 325.340 1.966 20 5 EDBDMO CON(C)C(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000291385147 289048702 /nfs/dbraw/zinc/04/87/02/289048702.db2.gz AYMRSVNYFKMQAL-UHFFFAOYSA-N 1 1 348.359 1.968 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000291855202 289197705 /nfs/dbraw/zinc/19/77/05/289197705.db2.gz IFGVXCRBRPUQEC-OAHLLOKOSA-N 1 1 339.417 1.620 20 5 EDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291889528 289206915 /nfs/dbraw/zinc/20/69/15/289206915.db2.gz QPSHGWAJFUTVAE-ZIAGYGMSSA-N 1 1 332.360 1.478 20 5 EDBDMO C[N@H+]1CC[C@@]2(CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264921 289301608 /nfs/dbraw/zinc/30/16/08/289301608.db2.gz ZBBSGHLNYYKIIF-DOTOQJQBSA-N 1 1 335.404 1.362 20 5 EDBDMO C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264921 289301612 /nfs/dbraw/zinc/30/16/12/289301612.db2.gz ZBBSGHLNYYKIIF-DOTOQJQBSA-N 1 1 335.404 1.362 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000293981098 303047080 /nfs/dbraw/zinc/04/70/80/303047080.db2.gz VOZBIEVLAIUANR-LSDHHAIUSA-N 1 1 337.351 1.669 20 5 EDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3C)[C@H]2C1 ZINC000294005874 303050673 /nfs/dbraw/zinc/05/06/73/303050673.db2.gz XXYNDOSSMKMVBL-JKSUJKDBSA-N 1 1 333.388 1.838 20 5 EDBDMO CC(C)(CCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)[N+](=O)[O-] ZINC000294307947 303089406 /nfs/dbraw/zinc/08/94/06/303089406.db2.gz DAGGOBUXCGPNSG-UHFFFAOYSA-N 1 1 349.431 1.971 20 5 EDBDMO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000294530179 303119931 /nfs/dbraw/zinc/11/99/31/303119931.db2.gz IVLKEVIALVLYDZ-CYBMUJFWSA-N 1 1 329.360 1.761 20 5 EDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000295284476 303199359 /nfs/dbraw/zinc/19/93/59/303199359.db2.gz TVSBCYZBMNKGBN-MRXNPFEDSA-N 1 1 338.383 1.947 20 5 EDBDMO COc1cc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc([N+](=O)[O-])c1OC ZINC000295346151 303207886 /nfs/dbraw/zinc/20/78/86/303207886.db2.gz YPLNODGMPBIQFG-OAHLLOKOSA-N 1 1 341.339 1.386 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000296257917 303306147 /nfs/dbraw/zinc/30/61/47/303306147.db2.gz NYQSXSQFJZKRJM-UHFFFAOYSA-N 1 1 339.396 1.779 20 5 EDBDMO COC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000296669142 303329508 /nfs/dbraw/zinc/32/95/08/303329508.db2.gz KOQUDEOOUVBFDC-INIZCTEOSA-N 1 1 337.376 1.900 20 5 EDBDMO COC[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000296669142 303329509 /nfs/dbraw/zinc/32/95/09/303329509.db2.gz KOQUDEOOUVBFDC-INIZCTEOSA-N 1 1 337.376 1.900 20 5 EDBDMO CN(C)c1nc(N2CCN(c3sccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000302050151 303710229 /nfs/dbraw/zinc/71/02/29/303710229.db2.gz ZXTDDBZVZDNNFC-UHFFFAOYSA-N 1 1 334.405 1.839 20 5 EDBDMO C[C@@H](NC(=O)CCCN1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000433129745 305101272 /nfs/dbraw/zinc/10/12/72/305101272.db2.gz FGTWTSJWFAVDRR-CYBMUJFWSA-N 1 1 334.420 1.975 20 5 EDBDMO CCc1[nH]nc(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000439402707 305197202 /nfs/dbraw/zinc/19/72/02/305197202.db2.gz JAAMAZRHPOUNFE-UHFFFAOYSA-N 1 1 339.396 1.063 20 5 EDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000441116531 305217621 /nfs/dbraw/zinc/21/76/21/305217621.db2.gz CKDOXARVHAUULO-OLZOCXBDSA-N 1 1 348.403 1.783 20 5 EDBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000441116531 305217622 /nfs/dbraw/zinc/21/76/22/305217622.db2.gz CKDOXARVHAUULO-OLZOCXBDSA-N 1 1 348.403 1.783 20 5 EDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+](C)C[C@H](C)O)CC2)c1 ZINC000444350943 305246528 /nfs/dbraw/zinc/24/65/28/305246528.db2.gz IZGWKPCXFSGCIY-ZDUSSCGKSA-N 1 1 335.404 1.820 20 5 EDBDMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000444376844 305247577 /nfs/dbraw/zinc/24/75/77/305247577.db2.gz VAELNFDSJMSVSR-LLVKDONJSA-N 1 1 339.367 1.651 20 5 EDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1 ZINC000451305891 305337960 /nfs/dbraw/zinc/33/79/60/305337960.db2.gz XBEFKFPCRUOIRQ-LXZKKBNFSA-N 1 1 336.388 1.835 20 5 EDBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000451341920 305340338 /nfs/dbraw/zinc/34/03/38/305340338.db2.gz ZXBLSPWIAWHFSU-MRXNPFEDSA-N 1 1 338.360 1.615 20 5 EDBDMO O=C1CCCN1C[C@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548721 305352824 /nfs/dbraw/zinc/35/28/24/305352824.db2.gz NXTBAOYMSXLWQH-NVXWUHKLSA-N 1 1 347.415 1.758 20 5 EDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000452353923 305391977 /nfs/dbraw/zinc/39/19/77/305391977.db2.gz VBOKVINKNPUADB-CYBMUJFWSA-N 1 1 346.387 1.653 20 5 EDBDMO COc1c(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cccc1[N+](=O)[O-] ZINC000452387270 305396601 /nfs/dbraw/zinc/39/66/01/305396601.db2.gz ZPZYMUSQDMUCSF-LBPRGKRZSA-N 1 1 337.376 1.180 20 5 EDBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548735987 306136271 /nfs/dbraw/zinc/13/62/71/306136271.db2.gz XOXWVOWXNPYFOZ-UHFFFAOYSA-N 1 1 337.380 1.083 20 5 EDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000549157627 306144922 /nfs/dbraw/zinc/14/49/22/306144922.db2.gz GCDYIDHMNDTNSL-DGCLKSJQSA-N 1 1 329.360 1.883 20 5 EDBDMO C[N@H+]1CCN(CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000493702935 447375198 /nfs/dbraw/zinc/37/51/98/447375198.db2.gz CXOVXOVLHJPBIN-FPLPWBNLSA-N 1 1 346.431 1.750 20 5 EDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000057554183 441122324 /nfs/dbraw/zinc/12/23/24/441122324.db2.gz YVXKCEUNFQZPRZ-GFCCVEGCSA-N 1 1 341.371 1.747 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000070871478 441124965 /nfs/dbraw/zinc/12/49/65/441124965.db2.gz QPSKMSHPIIFWGM-ZDUSSCGKSA-N 1 1 344.375 1.390 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072829209 441264062 /nfs/dbraw/zinc/26/40/62/441264062.db2.gz WOJIJMMWTKTIEI-YVEFUNNKSA-N 1 1 346.387 1.524 20 5 EDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072829209 441264066 /nfs/dbraw/zinc/26/40/66/441264066.db2.gz WOJIJMMWTKTIEI-YVEFUNNKSA-N 1 1 346.387 1.524 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000073533947 441322627 /nfs/dbraw/zinc/32/26/27/441322627.db2.gz NKBWOGDIHWYCEU-HNNXBMFYSA-N 1 1 335.408 1.790 20 5 EDBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000063822286 441355935 /nfs/dbraw/zinc/35/59/35/441355935.db2.gz QXVSYMOZFYSABO-CQSZACIVSA-N 1 1 337.424 1.810 20 5 EDBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000064311411 441371787 /nfs/dbraw/zinc/37/17/87/441371787.db2.gz VKXASROOYKAVFS-CYBMUJFWSA-N 1 1 337.424 1.808 20 5 EDBDMO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000052691432 441469287 /nfs/dbraw/zinc/46/92/87/441469287.db2.gz WSPUKFNMKWSJMF-ZDUSSCGKSA-N 1 1 327.406 1.356 20 5 EDBDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000052691432 441469290 /nfs/dbraw/zinc/46/92/90/441469290.db2.gz WSPUKFNMKWSJMF-ZDUSSCGKSA-N 1 1 327.406 1.356 20 5 EDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000074971243 441483740 /nfs/dbraw/zinc/48/37/40/441483740.db2.gz FWJPMJGWDJXKIW-OLZOCXBDSA-N 1 1 339.417 1.760 20 5 EDBDMO CC(C)OCC[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000074773288 441465193 /nfs/dbraw/zinc/46/51/93/441465193.db2.gz QWXHJDOJMUGNHT-UHFFFAOYSA-N 1 1 339.421 1.851 20 5 EDBDMO NC(=O)[C@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000066938876 441591314 /nfs/dbraw/zinc/59/13/14/441591314.db2.gz DVQZGFZBNLYRLM-OAHLLOKOSA-N 1 1 332.335 1.962 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc2c(c1)OCCO2 ZINC000090512470 441631874 /nfs/dbraw/zinc/63/18/74/441631874.db2.gz FSQATUUCFJTLBI-UHFFFAOYSA-N 1 1 345.355 1.660 20 5 EDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000067782233 441678591 /nfs/dbraw/zinc/67/85/91/441678591.db2.gz FSFYIETXCPECAV-CYBMUJFWSA-N 1 1 348.403 1.688 20 5 EDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858644 441691531 /nfs/dbraw/zinc/69/15/31/441691531.db2.gz RZGIALXMPFDBJD-SBJJXXPASA-N 1 1 331.372 1.587 20 5 EDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114858644 441691535 /nfs/dbraw/zinc/69/15/35/441691535.db2.gz RZGIALXMPFDBJD-SBJJXXPASA-N 1 1 331.372 1.587 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000173329807 441714866 /nfs/dbraw/zinc/71/48/66/441714866.db2.gz ZAKLOCFJROHOMF-CYBMUJFWSA-N 1 1 341.371 1.692 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000173329807 441714886 /nfs/dbraw/zinc/71/48/86/441714886.db2.gz ZAKLOCFJROHOMF-CYBMUJFWSA-N 1 1 341.371 1.692 20 5 EDBDMO Cc1ccc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000042582164 441753309 /nfs/dbraw/zinc/75/33/09/441753309.db2.gz DANMFVHXXNNDIR-QGZVFWFLSA-N 1 1 348.447 1.905 20 5 EDBDMO C[N@@H+](CCCO)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115636871 441766933 /nfs/dbraw/zinc/76/69/33/441766933.db2.gz MESVVQNTRPBUNT-UHFFFAOYSA-N 1 1 336.392 1.905 20 5 EDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000139336670 441811660 /nfs/dbraw/zinc/81/16/60/441811660.db2.gz PYAIREDAPQPVTO-CQSZACIVSA-N 1 1 347.419 1.521 20 5 EDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000068960661 441874770 /nfs/dbraw/zinc/87/47/70/441874770.db2.gz RGTDUQQVLHGVEJ-UHFFFAOYSA-N 1 1 335.813 1.787 20 5 EDBDMO COc1ccccc1[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[NH+](C)C ZINC000160321930 441872159 /nfs/dbraw/zinc/87/21/59/441872159.db2.gz VMHRBYUHHAMIGL-LBPRGKRZSA-N 1 1 347.375 1.370 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000092765774 441825788 /nfs/dbraw/zinc/82/57/88/441825788.db2.gz XDQUKVBZIUYYRF-KBPBESRZSA-N 1 1 335.404 1.969 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000092765774 441825791 /nfs/dbraw/zinc/82/57/91/441825791.db2.gz XDQUKVBZIUYYRF-KBPBESRZSA-N 1 1 335.404 1.969 20 5 EDBDMO C[C@H]1C[C@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000173749591 441833771 /nfs/dbraw/zinc/83/37/71/441833771.db2.gz KYTOSTMIECYVIU-UONOGXRCSA-N 1 1 334.420 1.972 20 5 EDBDMO CNS(=O)(=O)c1ccc(N[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069000809 441878533 /nfs/dbraw/zinc/87/85/33/441878533.db2.gz GVNAPVAJSYQOMW-NSHDSACASA-N 1 1 342.421 1.398 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000093343451 441880603 /nfs/dbraw/zinc/88/06/03/441880603.db2.gz IVFSTEIVPGONKV-FZMZJTMJSA-N 1 1 337.376 1.635 20 5 EDBDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118108687 441888651 /nfs/dbraw/zinc/88/86/51/441888651.db2.gz GSMXGVIXCKXXQC-UHFFFAOYSA-N 1 1 328.756 1.255 20 5 EDBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C)CC1 ZINC000119933629 441979007 /nfs/dbraw/zinc/97/90/07/441979007.db2.gz WIRAUKJETWSKBL-JTQLQIEISA-N 1 1 326.784 1.823 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000162103959 442064144 /nfs/dbraw/zinc/06/41/44/442064144.db2.gz IKUQSWPUGPQUEC-NSHDSACASA-N 1 1 345.396 1.805 20 5 EDBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])s1 ZINC000152192705 442179375 /nfs/dbraw/zinc/17/93/75/442179375.db2.gz YVWWUCKMIWVVNR-NSHDSACASA-N 1 1 327.406 1.623 20 5 EDBDMO COCCC[N@@H+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000152522714 442222237 /nfs/dbraw/zinc/22/22/37/442222237.db2.gz FVVMAOCZUMNDNY-UHFFFAOYSA-N 1 1 334.376 1.774 20 5 EDBDMO CNC(=O)C1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000179823671 442508298 /nfs/dbraw/zinc/50/82/98/442508298.db2.gz UFDJSACRONIFHP-UHFFFAOYSA-N 1 1 337.376 1.570 20 5 EDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)Cc2ccccc2)n1 ZINC000191570476 442466377 /nfs/dbraw/zinc/46/63/77/442466377.db2.gz WFQLSBHFJKNNAK-UHFFFAOYSA-N 1 1 331.376 1.673 20 5 EDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](CO)C(C)(C)C ZINC000134371610 442474892 /nfs/dbraw/zinc/47/48/92/442474892.db2.gz AKVJWLTZYWURNJ-OAHLLOKOSA-N 1 1 335.404 1.823 20 5 EDBDMO C[N@H+]1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000180176647 442553005 /nfs/dbraw/zinc/55/30/05/442553005.db2.gz YNFBDPZFJRCWIV-CJNGLKHVSA-N 1 1 329.360 1.353 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000179120340 442576283 /nfs/dbraw/zinc/57/62/83/442576283.db2.gz GRWWCWIZERLGPF-ZDUSSCGKSA-N 1 1 347.371 1.511 20 5 EDBDMO COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000179120340 442576287 /nfs/dbraw/zinc/57/62/87/442576287.db2.gz GRWWCWIZERLGPF-ZDUSSCGKSA-N 1 1 347.371 1.511 20 5 EDBDMO CC(C)[NH+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000135476066 442600224 /nfs/dbraw/zinc/60/02/24/442600224.db2.gz PNDYBUPZCGSSNE-UHFFFAOYSA-N 1 1 343.387 1.947 20 5 EDBDMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000179251265 442605950 /nfs/dbraw/zinc/60/59/50/442605950.db2.gz UXOBDGRINVMYKA-CHWSQXEVSA-N 1 1 343.387 1.945 20 5 EDBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000180616556 442635061 /nfs/dbraw/zinc/63/50/61/442635061.db2.gz RPLJORNATPNOAM-TXEJJXNPSA-N 1 1 336.392 1.406 20 5 EDBDMO C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000157948849 442630284 /nfs/dbraw/zinc/63/02/84/442630284.db2.gz KQTGAPIKVUWOAM-CYBMUJFWSA-N 1 1 336.392 1.362 20 5 EDBDMO C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188718349 442795098 /nfs/dbraw/zinc/79/50/98/442795098.db2.gz QUSBIWKCXSMXHI-NSHDSACASA-N 1 1 336.392 1.094 20 5 EDBDMO C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188718349 442795101 /nfs/dbraw/zinc/79/51/01/442795101.db2.gz QUSBIWKCXSMXHI-NSHDSACASA-N 1 1 336.392 1.094 20 5 EDBDMO COCC[N@H+]1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265496186 442796194 /nfs/dbraw/zinc/79/61/94/442796194.db2.gz CCNSXMFADGHAMV-CQSZACIVSA-N 1 1 336.392 1.157 20 5 EDBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193740309 442777346 /nfs/dbraw/zinc/77/73/46/442777346.db2.gz JHVVHTVZWNZHOC-GFCCVEGCSA-N 1 1 336.392 1.793 20 5 EDBDMO C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182864499 442838622 /nfs/dbraw/zinc/83/86/22/442838622.db2.gz URHBCGCJFXXQJJ-VXGBXAGGSA-N 1 1 335.408 1.711 20 5 EDBDMO Cn1cc[nH+]c1N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265798328 442924997 /nfs/dbraw/zinc/92/49/97/442924997.db2.gz WIXYPHFAKQQCGY-QPJJXVBHSA-N 1 1 341.371 1.690 20 5 EDBDMO COc1ccc(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000189412043 442944925 /nfs/dbraw/zinc/94/49/25/442944925.db2.gz GKHCKMABTPUIND-ZDUSSCGKSA-N 1 1 337.420 1.880 20 5 EDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000265970650 442988659 /nfs/dbraw/zinc/98/86/59/442988659.db2.gz KTIJCFFKBUAFFR-NSHDSACASA-N 1 1 342.421 1.020 20 5 EDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189793150 443012342 /nfs/dbraw/zinc/01/23/42/443012342.db2.gz JQYIIGQJDVIDAF-ZDUSSCGKSA-N 1 1 341.433 1.974 20 5 EDBDMO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nnnn1-c1ccccc1 ZINC000184807770 443079819 /nfs/dbraw/zinc/07/98/19/443079819.db2.gz PRLUFQATJHAUQM-LLVKDONJSA-N 1 1 328.336 1.118 20 5 EDBDMO CC(C)C[C@@H](CO)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185324908 443182978 /nfs/dbraw/zinc/18/29/78/443182978.db2.gz JWEOIZMQAVHFCU-GJZGRUSLSA-N 1 1 326.393 1.673 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000185348803 443187768 /nfs/dbraw/zinc/18/77/68/443187768.db2.gz QDDQSXDTQJTXQK-LBPRGKRZSA-N 1 1 339.392 1.881 20 5 EDBDMO Cc1cnc(NCC2([NH+]3CCOCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000413396895 319266469 /nfs/dbraw/zinc/26/64/69/319266469.db2.gz FUFSLHOPXQIRGF-UHFFFAOYSA-N 1 1 336.392 1.592 20 5 EDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000269647341 443377387 /nfs/dbraw/zinc/37/73/87/443377387.db2.gz LKUJCJSFDLAKFQ-PBHICJAKSA-N 1 1 335.404 1.282 20 5 EDBDMO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000272560072 443363901 /nfs/dbraw/zinc/36/39/01/443363901.db2.gz LOXKNJFYLQOQHP-VHSXEESVSA-N 1 1 327.768 1.889 20 5 EDBDMO C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000272560072 443363905 /nfs/dbraw/zinc/36/39/05/443363905.db2.gz LOXKNJFYLQOQHP-VHSXEESVSA-N 1 1 327.768 1.889 20 5 EDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000264670441 443368479 /nfs/dbraw/zinc/36/84/79/443368479.db2.gz GQDLPUMPBLHNPI-CQSZACIVSA-N 1 1 337.424 1.789 20 5 EDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278758757 443427436 /nfs/dbraw/zinc/42/74/36/443427436.db2.gz BKEUOAQWHZDLMD-CQSZACIVSA-N 1 1 339.417 1.595 20 5 EDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278758757 443427439 /nfs/dbraw/zinc/42/74/39/443427439.db2.gz BKEUOAQWHZDLMD-CQSZACIVSA-N 1 1 339.417 1.595 20 5 EDBDMO CSc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264792928 443428262 /nfs/dbraw/zinc/42/82/62/443428262.db2.gz VCDDOIZKESXBET-GFCCVEGCSA-N 1 1 338.433 1.292 20 5 EDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000273044493 443527736 /nfs/dbraw/zinc/52/77/36/443527736.db2.gz PRLNZFFSTKYLHI-RDJZCZTQSA-N 1 1 346.383 2.000 20 5 EDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272259433 443571768 /nfs/dbraw/zinc/57/17/68/443571768.db2.gz ALHNZCZEVKGIMO-CJNGLKHVSA-N 1 1 332.404 1.949 20 5 EDBDMO CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1CC ZINC000265401881 443629597 /nfs/dbraw/zinc/62/95/97/443629597.db2.gz XNGAWUQJVIVUAT-LBPRGKRZSA-N 1 1 325.365 1.761 20 5 EDBDMO CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1CC ZINC000265401881 443629598 /nfs/dbraw/zinc/62/95/98/443629598.db2.gz XNGAWUQJVIVUAT-LBPRGKRZSA-N 1 1 325.365 1.761 20 5 EDBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)O1 ZINC000275044764 443619777 /nfs/dbraw/zinc/61/97/77/443619777.db2.gz NBQBXOYPFIOEFS-IJLUTSLNSA-N 1 1 336.396 1.045 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](CCO)C1CCC1 ZINC000439277014 320044149 /nfs/dbraw/zinc/04/41/49/320044149.db2.gz UAJVCQHHGUHPSY-UHFFFAOYSA-N 1 1 335.360 1.740 20 5 EDBDMO C[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+](C2CC2)C1 ZINC000452568046 320251919 /nfs/dbraw/zinc/25/19/19/320251919.db2.gz GELCWLDSQSGMQW-GFCCVEGCSA-N 1 1 335.408 1.469 20 5 EDBDMO CNc1nc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000457003164 320316895 /nfs/dbraw/zinc/31/68/95/320316895.db2.gz XIJNPUSRGMQFAP-AWEZNQCLSA-N 1 1 341.371 1.818 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1C ZINC000281105351 443820318 /nfs/dbraw/zinc/82/03/18/443820318.db2.gz FSVOLEDMFGYXTO-QWRGUYRKSA-N 1 1 347.375 1.135 20 5 EDBDMO C[N@H+]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000298687218 443838795 /nfs/dbraw/zinc/83/87/95/443838795.db2.gz WJCRAHDMKLBWQW-UHFFFAOYSA-N 1 1 326.784 1.824 20 5 EDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000281195958 443845346 /nfs/dbraw/zinc/84/53/46/443845346.db2.gz SOANMVLHQFOIJM-INIZCTEOSA-N 1 1 337.376 1.570 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000292843322 443857206 /nfs/dbraw/zinc/85/72/06/443857206.db2.gz CITMYTRNVDBZRW-CCEZHUSRSA-N 1 1 348.447 1.998 20 5 EDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCCN(C)CC[NH+](C)C ZINC000292843322 443857207 /nfs/dbraw/zinc/85/72/07/443857207.db2.gz CITMYTRNVDBZRW-CCEZHUSRSA-N 1 1 348.447 1.998 20 5 EDBDMO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000298794706 443870298 /nfs/dbraw/zinc/87/02/98/443870298.db2.gz DPRFRXIFBTXSKA-UHFFFAOYSA-N 1 1 332.360 1.220 20 5 EDBDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000298794706 443870303 /nfs/dbraw/zinc/87/03/03/443870303.db2.gz DPRFRXIFBTXSKA-UHFFFAOYSA-N 1 1 332.360 1.220 20 5 EDBDMO Cc1ccc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281901472 444035242 /nfs/dbraw/zinc/03/52/42/444035242.db2.gz ZDXIXMYOISRIPK-UHFFFAOYSA-N 1 1 334.420 1.659 20 5 EDBDMO CC[N@@H+](CCOCCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000281908245 444036808 /nfs/dbraw/zinc/03/68/08/444036808.db2.gz BZDSJXMMZNQELA-UHFFFAOYSA-N 1 1 339.392 1.563 20 5 EDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C[N@H+]1Cc1ccccc1 ZINC000285505014 444009849 /nfs/dbraw/zinc/00/98/49/444009849.db2.gz ASPITJAPFOGZJV-DGCLKSJQSA-N 1 1 329.360 1.711 20 5 EDBDMO COc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000285674466 444068315 /nfs/dbraw/zinc/06/83/15/444068315.db2.gz HIAHPFDURSSLOB-KBPBESRZSA-N 1 1 335.360 1.149 20 5 EDBDMO CC(C)[N@H+](C)C[C@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566005704 321210209 /nfs/dbraw/zinc/21/02/09/321210209.db2.gz BNCWIOSQLOTGOT-ZFWWWQNUSA-N 1 1 325.409 1.653 20 5 EDBDMO CC(C)[N@@H+](C)C[C@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566005704 321210210 /nfs/dbraw/zinc/21/02/10/321210210.db2.gz BNCWIOSQLOTGOT-ZFWWWQNUSA-N 1 1 325.409 1.653 20 5 EDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000566771768 321233619 /nfs/dbraw/zinc/23/36/19/321233619.db2.gz IRNQKERIYOEARG-LLVKDONJSA-N 1 1 344.371 1.920 20 5 EDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000301460734 444173062 /nfs/dbraw/zinc/17/30/62/444173062.db2.gz DPSUQOQHLVBRTG-GFCCVEGCSA-N 1 1 339.367 1.901 20 5 EDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@H]21 ZINC000301685793 444185241 /nfs/dbraw/zinc/18/52/41/444185241.db2.gz WUCNRPDSEWUEMM-CVEARBPZSA-N 1 1 346.387 1.006 20 5 EDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000301691022 444185651 /nfs/dbraw/zinc/18/56/51/444185651.db2.gz YPJPLEYTFJOOPA-OLZOCXBDSA-N 1 1 342.193 1.877 20 5 EDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000301727462 444187936 /nfs/dbraw/zinc/18/79/36/444187936.db2.gz VUHANLXGKUFMFO-SWLSCSKDSA-N 1 1 332.404 1.875 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000301954631 444197930 /nfs/dbraw/zinc/19/79/30/444197930.db2.gz KIIMCCORFOCHJD-MRXNPFEDSA-N 1 1 332.404 1.822 20 5 EDBDMO O=[N+]([O-])c1cnc2ccc(N3CCC[N@H+](C4CCOCC4)CC3)nn21 ZINC000301965954 444198489 /nfs/dbraw/zinc/19/84/89/444198489.db2.gz KIPPWFCBCYUEGN-UHFFFAOYSA-N 1 1 346.391 1.329 20 5 EDBDMO O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000304693151 444251011 /nfs/dbraw/zinc/25/10/11/444251011.db2.gz DOEWPAOARMTGFO-HZPDHXFCSA-N 1 1 349.431 1.895 20 5 EDBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000296388110 444224872 /nfs/dbraw/zinc/22/48/72/444224872.db2.gz IOJASEUCYKCIHK-LLVKDONJSA-N 1 1 341.795 1.825 20 5 EDBDMO COCC[N@@H+](C)CCCNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000296628273 444244151 /nfs/dbraw/zinc/24/41/51/444244151.db2.gz VMJPSIIGQRKXKC-UHFFFAOYSA-N 1 1 339.392 1.691 20 5 EDBDMO C[C@H]1C[C@@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[N@H+]1C1CC1 ZINC000290834704 444328637 /nfs/dbraw/zinc/32/86/37/444328637.db2.gz VBWDPPJXNGATHX-GXSJLCMTSA-N 1 1 340.405 1.279 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000298108354 444417937 /nfs/dbraw/zinc/41/79/37/444417937.db2.gz LZFRUXLIJZIJRN-LBPRGKRZSA-N 1 1 334.376 1.361 20 5 EDBDMO CNC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000342354932 444650839 /nfs/dbraw/zinc/65/08/39/444650839.db2.gz NCSDQVKTTGFPNB-GFCCVEGCSA-N 1 1 349.391 1.235 20 5 EDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344026983 444737178 /nfs/dbraw/zinc/73/71/78/444737178.db2.gz KJHACEQUKVCOMK-WHOFXGATSA-N 1 1 347.371 1.596 20 5 EDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)n2)c1 ZINC000344069296 444763251 /nfs/dbraw/zinc/76/32/51/444763251.db2.gz QXEIXOBQMCEHMX-YUTCNCBUSA-N 1 1 330.344 1.848 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000338722432 444821121 /nfs/dbraw/zinc/82/11/21/444821121.db2.gz BWOUKIWZKCTTAR-CVEARBPZSA-N 1 1 346.387 1.868 20 5 EDBDMO CC[N@H+]1CC[C@@H]2OCCN(c3ccc(C(=O)NC)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000338735071 444828596 /nfs/dbraw/zinc/82/85/96/444828596.db2.gz ZPZMWGRHZDICNB-CVEARBPZSA-N 1 1 348.403 1.254 20 5 EDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2Cn2ccnn2)c1 ZINC000344351087 444912334 /nfs/dbraw/zinc/91/23/34/444912334.db2.gz VHECKKWODHXABS-HUUCEWRRSA-N 1 1 347.375 1.091 20 5 EDBDMO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330535174 445022161 /nfs/dbraw/zinc/02/21/61/445022161.db2.gz DMGRWACGTLXEGB-CHWSQXEVSA-N 1 1 341.433 1.839 20 5 EDBDMO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330535174 445022165 /nfs/dbraw/zinc/02/21/65/445022165.db2.gz DMGRWACGTLXEGB-CHWSQXEVSA-N 1 1 341.433 1.839 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000339049489 445008886 /nfs/dbraw/zinc/00/88/86/445008886.db2.gz ZVKVNMWAKQCQLQ-LLVKDONJSA-N 1 1 325.390 1.418 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000339049489 445008891 /nfs/dbraw/zinc/00/88/91/445008891.db2.gz ZVKVNMWAKQCQLQ-LLVKDONJSA-N 1 1 325.390 1.418 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000330909386 445190067 /nfs/dbraw/zinc/19/00/67/445190067.db2.gz XNWHVZLVKQYJMD-LBPRGKRZSA-N 1 1 327.406 1.618 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000330909386 445190070 /nfs/dbraw/zinc/19/00/70/445190070.db2.gz XNWHVZLVKQYJMD-LBPRGKRZSA-N 1 1 327.406 1.618 20 5 EDBDMO COC(=O)c1cc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000343495602 445233917 /nfs/dbraw/zinc/23/39/17/445233917.db2.gz GUUNTTJNSLHBDP-QMTHXVAHSA-N 1 1 335.360 1.594 20 5 EDBDMO NC(=O)C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343518898 445237493 /nfs/dbraw/zinc/23/74/93/445237493.db2.gz CBFJSHLRCQLPLS-CHWSQXEVSA-N 1 1 337.376 1.064 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000354503937 445267102 /nfs/dbraw/zinc/26/71/02/445267102.db2.gz VXVGJBMFMBDUCQ-LLVKDONJSA-N 1 1 343.405 1.318 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000354503937 445267105 /nfs/dbraw/zinc/26/71/05/445267105.db2.gz VXVGJBMFMBDUCQ-LLVKDONJSA-N 1 1 343.405 1.318 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000348353025 445264611 /nfs/dbraw/zinc/26/46/11/445264611.db2.gz ZFFVWIJFPJPNEB-CYBMUJFWSA-N 1 1 339.417 1.760 20 5 EDBDMO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000348353025 445264615 /nfs/dbraw/zinc/26/46/15/445264615.db2.gz ZFFVWIJFPJPNEB-CYBMUJFWSA-N 1 1 339.417 1.760 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2ccnc2C1 ZINC000357033888 445385536 /nfs/dbraw/zinc/38/55/36/445385536.db2.gz CJFYHKAVIIUQIJ-UHFFFAOYSA-N 1 1 345.359 1.644 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCn2ccnc2C1 ZINC000357033888 445385539 /nfs/dbraw/zinc/38/55/39/445385539.db2.gz CJFYHKAVIIUQIJ-UHFFFAOYSA-N 1 1 345.359 1.644 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+](C)[C@]2(CO)CCOC2)cccc1[N+](=O)[O-] ZINC000359833841 445452588 /nfs/dbraw/zinc/45/25/88/445452588.db2.gz NHBCEWHUFKMVJU-INIZCTEOSA-N 1 1 337.376 1.315 20 5 EDBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363020876 445652530 /nfs/dbraw/zinc/65/25/30/445652530.db2.gz WYFNWZAPZIGYTI-KGLIPLIRSA-N 1 1 346.387 1.068 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000356225136 445685756 /nfs/dbraw/zinc/68/57/56/445685756.db2.gz RQJAYVZZCQTISM-AWEZNQCLSA-N 1 1 343.387 1.723 20 5 EDBDMO O=C(NCC[N@@H+]1CC=CCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000350087957 445766175 /nfs/dbraw/zinc/76/61/75/445766175.db2.gz SWSVMVSWMGKBCP-UHFFFAOYSA-N 1 1 341.371 1.772 20 5 EDBDMO CC[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000350104604 445769792 /nfs/dbraw/zinc/76/97/92/445769792.db2.gz MSQWQRMVWRONIU-UHFFFAOYSA-N 1 1 330.392 1.922 20 5 EDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000356731290 445974129 /nfs/dbraw/zinc/97/41/29/445974129.db2.gz OUTCBJLMSOTKHM-SWLSCSKDSA-N 1 1 329.360 1.504 20 5 EDBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369273498 446036604 /nfs/dbraw/zinc/03/66/04/446036604.db2.gz HBIOQBVWOHOFKF-AWEZNQCLSA-N 1 1 332.404 1.493 20 5 EDBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369273498 446036606 /nfs/dbraw/zinc/03/66/06/446036606.db2.gz HBIOQBVWOHOFKF-AWEZNQCLSA-N 1 1 332.404 1.493 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000373141676 446056129 /nfs/dbraw/zinc/05/61/29/446056129.db2.gz QHNRCHWPSZAERS-HUUCEWRRSA-N 1 1 335.404 1.895 20 5 EDBDMO Cn1ccnc1[C@@H](NCCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1 ZINC000583862734 326154278 /nfs/dbraw/zinc/15/42/78/326154278.db2.gz DVNIGSUWJBIYSF-INIZCTEOSA-N 1 1 340.387 1.984 20 5 EDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(c2cnccn2)CC1 ZINC000369305682 446060552 /nfs/dbraw/zinc/06/05/52/446060552.db2.gz LWTQSZLQSCKNHS-UHFFFAOYSA-N 1 1 331.380 1.182 20 5 EDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000356899456 446106778 /nfs/dbraw/zinc/10/67/78/446106778.db2.gz SDGDFWCIRMDWBR-NEPJUHHUSA-N 1 1 339.367 1.190 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000370366056 446248972 /nfs/dbraw/zinc/24/89/72/446248972.db2.gz IRVFJKTXYNXQMS-HOCLYGCPSA-N 1 1 332.404 1.873 20 5 EDBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000366655114 446296789 /nfs/dbraw/zinc/29/67/89/446296789.db2.gz PQFBCEBILQPGPO-RCCFBDPRSA-N 1 1 349.431 1.549 20 5 EDBDMO O=C(CC[N@H+]1C[C@@H](F)C[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000370447688 446282882 /nfs/dbraw/zinc/28/28/82/446282882.db2.gz PPPBVWWSDMOCTL-GXSJLCMTSA-N 1 1 329.303 1.467 20 5 EDBDMO O=C(CC[N@@H+]1C[C@@H](F)C[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000370447688 446282888 /nfs/dbraw/zinc/28/28/88/446282888.db2.gz PPPBVWWSDMOCTL-GXSJLCMTSA-N 1 1 329.303 1.467 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000370672222 446380146 /nfs/dbraw/zinc/38/01/46/446380146.db2.gz CJAQCEOJYOQXRO-MRXNPFEDSA-N 1 1 335.360 1.389 20 5 EDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000370672222 446380154 /nfs/dbraw/zinc/38/01/54/446380154.db2.gz CJAQCEOJYOQXRO-MRXNPFEDSA-N 1 1 335.360 1.389 20 5 EDBDMO Cc1nc2n(n1)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000374054194 446349573 /nfs/dbraw/zinc/34/95/73/446349573.db2.gz NCAVHMXORWNMRS-UHFFFAOYSA-N 1 1 330.348 1.339 20 5 EDBDMO Cc1nc2n(n1)CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000374054194 446349579 /nfs/dbraw/zinc/34/95/79/446349579.db2.gz NCAVHMXORWNMRS-UHFFFAOYSA-N 1 1 330.348 1.339 20 5 EDBDMO CCCc1n[nH]c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000370880557 446496372 /nfs/dbraw/zinc/49/63/72/446496372.db2.gz GRZVJHQBYXDMBS-STQMWFEESA-N 1 1 335.408 1.969 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000370880557 446496374 /nfs/dbraw/zinc/49/63/74/446496374.db2.gz GRZVJHQBYXDMBS-STQMWFEESA-N 1 1 335.408 1.969 20 5 EDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000370880557 446496377 /nfs/dbraw/zinc/49/63/77/446496377.db2.gz GRZVJHQBYXDMBS-STQMWFEESA-N 1 1 335.408 1.969 20 5 EDBDMO C[C@@H]1C[N@@H+](CCCNc2ncnc3cccc([N+](=O)[O-])c32)CCCO1 ZINC000432880491 446513607 /nfs/dbraw/zinc/51/36/07/446513607.db2.gz NYGVZSVVUCLUKZ-CYBMUJFWSA-N 1 1 345.403 2.451 20 5 EDBDMO [NH3+]C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000420328882 446497896 /nfs/dbraw/zinc/49/78/96/446497896.db2.gz NGZGSZKOIBFTHJ-CQSZACIVSA-N 1 1 335.404 1.661 20 5 EDBDMO Cn1cnnc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411439141 446544072 /nfs/dbraw/zinc/54/40/72/446544072.db2.gz LUKBBZXQAPRRQN-AWEZNQCLSA-N 1 1 344.375 1.889 20 5 EDBDMO Cn1cnnc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411439141 446544078 /nfs/dbraw/zinc/54/40/78/446544078.db2.gz LUKBBZXQAPRRQN-AWEZNQCLSA-N 1 1 344.375 1.889 20 5 EDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCSC1 ZINC000433207769 446548001 /nfs/dbraw/zinc/54/80/01/446548001.db2.gz SEFJYXFKMWYTAF-CQSZACIVSA-N 1 1 341.433 1.601 20 5 EDBDMO C[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000420410898 446584277 /nfs/dbraw/zinc/58/42/77/446584277.db2.gz AUIQCLDYVLZRTG-RYUDHWBXSA-N 1 1 327.406 1.149 20 5 EDBDMO C[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000420415438 446589082 /nfs/dbraw/zinc/58/90/82/446589082.db2.gz IEORXZBBQRFJFE-RYUDHWBXSA-N 1 1 327.406 1.149 20 5 EDBDMO CC(C)OC[C@@H](CO)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411636379 446631343 /nfs/dbraw/zinc/63/13/43/446631343.db2.gz OSFHNKUXVZJOQC-OAHLLOKOSA-N 1 1 339.392 1.641 20 5 EDBDMO CCOCC[N@@H+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000420601203 446698330 /nfs/dbraw/zinc/69/83/30/446698330.db2.gz MZNPGSUHVYLFGH-LBPRGKRZSA-N 1 1 336.392 1.241 20 5 EDBDMO CCOCC[N@H+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000420601203 446698335 /nfs/dbraw/zinc/69/83/35/446698335.db2.gz MZNPGSUHVYLFGH-LBPRGKRZSA-N 1 1 336.392 1.241 20 5 EDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c2nonc21 ZINC000371282983 446740780 /nfs/dbraw/zinc/74/07/80/446740780.db2.gz FQFZAJDFANOWMQ-GHMZBOCLSA-N 1 1 333.348 1.796 20 5 EDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000375330392 446725546 /nfs/dbraw/zinc/72/55/46/446725546.db2.gz BRIPRTOUSNFJIJ-GFCCVEGCSA-N 1 1 333.348 1.521 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411940868 446750881 /nfs/dbraw/zinc/75/08/81/446750881.db2.gz KVDCONYBYQDQES-VXGBXAGGSA-N 1 1 334.376 1.332 20 5 EDBDMO COc1cc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000411940513 446751373 /nfs/dbraw/zinc/75/13/73/446751373.db2.gz JYBHDIHNEDYHJS-SNVBAGLBSA-N 1 1 325.340 1.653 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375410033 446781822 /nfs/dbraw/zinc/78/18/22/446781822.db2.gz CNEMOCZPGDFNLO-VXGBXAGGSA-N 1 1 331.294 1.999 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000368317317 446782729 /nfs/dbraw/zinc/78/27/29/446782729.db2.gz WJVYIAATSSHDSJ-HNNXBMFYSA-N 1 1 341.433 1.805 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000368317317 446782733 /nfs/dbraw/zinc/78/27/33/446782733.db2.gz WJVYIAATSSHDSJ-HNNXBMFYSA-N 1 1 341.433 1.805 20 5 EDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000368324792 446786996 /nfs/dbraw/zinc/78/69/96/446786996.db2.gz UOIMHRDCBXUQLB-SUMWQHHRSA-N 1 1 346.387 1.713 20 5 EDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)n1 ZINC000375467354 446823127 /nfs/dbraw/zinc/82/31/27/446823127.db2.gz IGUFROIVYSYROB-QGZVFWFLSA-N 1 1 330.388 1.861 20 5 EDBDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000412063704 446825476 /nfs/dbraw/zinc/82/54/76/446825476.db2.gz CAMMYEIKUBMZCG-GFCCVEGCSA-N 1 1 334.376 1.522 20 5 EDBDMO CC(C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000412063704 446825480 /nfs/dbraw/zinc/82/54/80/446825480.db2.gz CAMMYEIKUBMZCG-GFCCVEGCSA-N 1 1 334.376 1.522 20 5 EDBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)C1 ZINC000375497006 446848554 /nfs/dbraw/zinc/84/85/54/446848554.db2.gz PGUDSGBFKOMFRD-CQSZACIVSA-N 1 1 347.419 1.029 20 5 EDBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@H]21 ZINC000371507040 446900474 /nfs/dbraw/zinc/90/04/74/446900474.db2.gz XHLUHYXDUPFYAF-VHSXEESVSA-N 1 1 331.419 1.371 20 5 EDBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@H]21 ZINC000371507040 446900480 /nfs/dbraw/zinc/90/04/80/446900480.db2.gz XHLUHYXDUPFYAF-VHSXEESVSA-N 1 1 331.419 1.371 20 5 EDBDMO NS(=O)(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000375562354 446893466 /nfs/dbraw/zinc/89/34/66/446893466.db2.gz CIVOLEMPWDBSQM-HWKANZROSA-N 1 1 325.390 1.361 20 5 EDBDMO NC(=O)c1ccc(C[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000368654276 447008126 /nfs/dbraw/zinc/00/81/26/447008126.db2.gz WLHOZEYXGSJFAK-XEGUGMAKSA-N 1 1 346.387 1.312 20 5 EDBDMO NC(=O)c1ccc(C[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000368654276 447008133 /nfs/dbraw/zinc/00/81/33/447008133.db2.gz WLHOZEYXGSJFAK-XEGUGMAKSA-N 1 1 346.387 1.312 20 5 EDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CC1 ZINC000444388028 447098590 /nfs/dbraw/zinc/09/85/90/447098590.db2.gz ZLTSEFRJSHHYCW-LLVKDONJSA-N 1 1 332.360 1.215 20 5 EDBDMO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000444386017 447099258 /nfs/dbraw/zinc/09/92/58/447099258.db2.gz USHRPXIFZMWUOE-LLVKDONJSA-N 1 1 337.376 1.218 20 5 EDBDMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000444386017 447099266 /nfs/dbraw/zinc/09/92/66/447099266.db2.gz USHRPXIFZMWUOE-LLVKDONJSA-N 1 1 337.376 1.218 20 5 EDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCc2ccncc2)CC1 ZINC000377481084 447154198 /nfs/dbraw/zinc/15/41/98/447154198.db2.gz GTMHPTVACNGPSH-CVEARBPZSA-N 1 1 332.404 1.212 20 5 EDBDMO CNc1nc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000456027401 447286951 /nfs/dbraw/zinc/28/69/51/447286951.db2.gz GRXOXZATPALDSQ-NSHDSACASA-N 1 1 333.392 1.588 20 5 EDBDMO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017505 447267284 /nfs/dbraw/zinc/26/72/84/447267284.db2.gz OXBLXAWTSCYDTL-GFCCVEGCSA-N 1 1 339.396 1.953 20 5 EDBDMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017505 447267288 /nfs/dbraw/zinc/26/72/88/447267288.db2.gz OXBLXAWTSCYDTL-GFCCVEGCSA-N 1 1 339.396 1.953 20 5 EDBDMO CCN1CC[NH+](CC(C)(C)NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000456899003 447481231 /nfs/dbraw/zinc/48/12/31/447481231.db2.gz MLTNBVFBEHWUIX-UHFFFAOYSA-N 1 1 348.447 1.670 20 5 EDBDMO CN(C)CC[N@@H+](C)CCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450527066 447516807 /nfs/dbraw/zinc/51/68/07/447516807.db2.gz IVHIVGHKMYBHOW-UHFFFAOYSA-N 1 1 331.420 2.438 20 5 EDBDMO CN(CCCNc1nccc2c1cccc2[N+](=O)[O-])CC[NH+](C)C ZINC000450527066 447516809 /nfs/dbraw/zinc/51/68/09/447516809.db2.gz IVHIVGHKMYBHOW-UHFFFAOYSA-N 1 1 331.420 2.438 20 5 EDBDMO CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000422395036 447524783 /nfs/dbraw/zinc/52/47/83/447524783.db2.gz DWQIFLJFMAUFMR-UKRRQHHQSA-N 1 1 348.403 1.373 20 5 EDBDMO O=[N+]([O-])c1ccc(-c2noc(NC[C@H]3CCC[N@@H+]3CCCO)n2)cc1 ZINC000450588316 447531368 /nfs/dbraw/zinc/53/13/68/447531368.db2.gz AWQHZDKMUJOWQT-CQSZACIVSA-N 1 1 347.375 1.904 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2CCCO)n1 ZINC000450597489 447534344 /nfs/dbraw/zinc/53/43/44/447534344.db2.gz OXYLYGHBRQIXJO-LLVKDONJSA-N 1 1 338.364 1.035 20 5 EDBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000450952579 447632080 /nfs/dbraw/zinc/63/20/80/447632080.db2.gz IOPRNOPWPTWFDM-SNVBAGLBSA-N 1 1 331.319 1.699 20 5 EDBDMO CON1CCC([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000459579269 447712463 /nfs/dbraw/zinc/71/24/63/447712463.db2.gz KEWGOQHCOMAALS-UHFFFAOYSA-N 1 1 336.392 1.799 20 5 EDBDMO COc1ccc(OCC[N@H+](C)C2CCN(OC)CC2)c([N+](=O)[O-])c1 ZINC000459591132 447715672 /nfs/dbraw/zinc/71/56/72/447715672.db2.gz SILDTJSOJYILDQ-UHFFFAOYSA-N 1 1 339.392 1.940 20 5 EDBDMO COCC[N@@H+](C)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491576872 448061645 /nfs/dbraw/zinc/06/16/45/448061645.db2.gz PZGVYYPVINIEQM-XQRVVYSFSA-N 1 1 325.340 1.442 20 5 EDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000507504295 448143798 /nfs/dbraw/zinc/14/37/98/448143798.db2.gz ITZZNSDYOZKHKB-DGCLKSJQSA-N 1 1 329.360 1.883 20 5 EDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000571979333 448252002 /nfs/dbraw/zinc/25/20/02/448252002.db2.gz KTULCXGCDZLJDN-NSHDSACASA-N 1 1 348.403 1.608 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+](C)CC(C)(C)OC)c([N+](=O)[O-])c1 ZINC000533342429 448391213 /nfs/dbraw/zinc/39/12/13/448391213.db2.gz WWSZNROLOYCJOB-UHFFFAOYSA-N 1 1 325.365 1.899 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)OC)c([N+](=O)[O-])c1 ZINC000533342429 448391219 /nfs/dbraw/zinc/39/12/19/448391219.db2.gz WWSZNROLOYCJOB-UHFFFAOYSA-N 1 1 325.365 1.899 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000591839015 448503361 /nfs/dbraw/zinc/50/33/61/448503361.db2.gz FKEQRMRIFIDOLG-AWEZNQCLSA-N 1 1 345.359 1.810 20 5 EDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000591839015 448503366 /nfs/dbraw/zinc/50/33/66/448503366.db2.gz FKEQRMRIFIDOLG-AWEZNQCLSA-N 1 1 345.359 1.810 20 5 EDBDMO NS(=O)(=O)c1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000573753529 448703520 /nfs/dbraw/zinc/70/35/20/448703520.db2.gz APZDKFOWPPZTAC-JTQLQIEISA-N 1 1 340.405 1.138 20 5 EDBDMO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592153566 448714409 /nfs/dbraw/zinc/71/44/09/448714409.db2.gz BYCYSGLSUFLTMR-OAHLLOKOSA-N 1 1 343.387 1.430 20 5 EDBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000518996767 448731211 /nfs/dbraw/zinc/73/12/11/448731211.db2.gz CQYGDKNHQOBVMQ-UHFFFAOYSA-N 1 1 347.400 1.759 20 5 EDBDMO COc1cc(CCNC(=O)CC(F)(F)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000568147888 448822700 /nfs/dbraw/zinc/82/27/00/448822700.db2.gz AHTXKYVJOCYBLP-UHFFFAOYSA-N 1 1 347.318 1.255 20 5 EDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@H+]2CC[C@@H](C)C2)c1F ZINC000574289870 448839152 /nfs/dbraw/zinc/83/91/52/448839152.db2.gz YIKLRKBMMDHOGZ-LLVKDONJSA-N 1 1 339.367 1.743 20 5 EDBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CN1 ZINC000579670403 448844815 /nfs/dbraw/zinc/84/48/15/448844815.db2.gz NUOVGOAJTJUIHA-ABAIWWIYSA-N 1 1 343.387 1.962 20 5 EDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000579928638 448910320 /nfs/dbraw/zinc/91/03/20/448910320.db2.gz CULSPHZIRJOYSV-ZDUSSCGKSA-N 1 1 348.403 1.703 20 5 EDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000579928638 448910325 /nfs/dbraw/zinc/91/03/25/448910325.db2.gz CULSPHZIRJOYSV-ZDUSSCGKSA-N 1 1 348.403 1.703 20 5 EDBDMO CC(C)Oc1nc(NC[C@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000520838159 448937921 /nfs/dbraw/zinc/93/79/21/448937921.db2.gz RPKGYKBJRNGKOS-CYBMUJFWSA-N 1 1 338.408 2.036 20 5 EDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588864070 448943656 /nfs/dbraw/zinc/94/36/56/448943656.db2.gz ZYSUEAJYXOVWFL-HZPDHXFCSA-N 1 1 333.388 1.195 20 5 EDBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000589926700 449080958 /nfs/dbraw/zinc/08/09/58/449080958.db2.gz YROYKYULFRVNTK-RISCZKNCSA-N 1 1 325.390 1.228 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000589925818 449081458 /nfs/dbraw/zinc/08/14/58/449081458.db2.gz SPQVDYRVCMGGCV-SMDDNHRTSA-N 1 1 325.390 1.228 20 5 EDBDMO C[C@]1(C2CC2)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595616804 449081765 /nfs/dbraw/zinc/08/17/65/449081765.db2.gz CWYWSJVAAWZEAR-NVXWUHKLSA-N 1 1 336.388 1.835 20 5 EDBDMO C[C@]1(C2CC2)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595616804 449081770 /nfs/dbraw/zinc/08/17/70/449081770.db2.gz CWYWSJVAAWZEAR-NVXWUHKLSA-N 1 1 336.388 1.835 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595735789 449137379 /nfs/dbraw/zinc/13/73/79/449137379.db2.gz CSFFZXQUTUORMO-JMSVASOKSA-N 1 1 346.387 1.522 20 5 EDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595735789 449137381 /nfs/dbraw/zinc/13/73/81/449137381.db2.gz CSFFZXQUTUORMO-JMSVASOKSA-N 1 1 346.387 1.522 20 5 EDBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000548748512 449094649 /nfs/dbraw/zinc/09/46/49/449094649.db2.gz DCCRNTJOBCKLRH-UHFFFAOYSA-N 1 1 332.320 1.070 20 5 EDBDMO C[N@H+]1C[C@H]2CCN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)[C@H]2C1 ZINC000590010812 449095270 /nfs/dbraw/zinc/09/52/70/449095270.db2.gz YSEBFBYXHCCMIL-DOMZBBRYSA-N 1 1 346.387 1.529 20 5 EDBDMO CN1C[C@H]2CC[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)[C@H]2C1 ZINC000590010812 449095274 /nfs/dbraw/zinc/09/52/74/449095274.db2.gz YSEBFBYXHCCMIL-DOMZBBRYSA-N 1 1 346.387 1.529 20 5 EDBDMO CN1C[C@H]2CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)[C@H]2C1 ZINC000590010812 449095276 /nfs/dbraw/zinc/09/52/76/449095276.db2.gz YSEBFBYXHCCMIL-DOMZBBRYSA-N 1 1 346.387 1.529 20 5 EDBDMO Cc1c(NC(=O)CCN2CC[C@H]3C[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590011752 449096664 /nfs/dbraw/zinc/09/66/64/449096664.db2.gz ORTVELYIJLKZOJ-BBRMVZONSA-N 1 1 332.404 1.868 20 5 EDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H]3CN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590011752 449096666 /nfs/dbraw/zinc/09/66/66/449096666.db2.gz ORTVELYIJLKZOJ-BBRMVZONSA-N 1 1 332.404 1.868 20 5 EDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3CN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590011752 449096668 /nfs/dbraw/zinc/09/66/68/449096668.db2.gz ORTVELYIJLKZOJ-BBRMVZONSA-N 1 1 332.404 1.868 20 5 EDBDMO CCOC(=O)c1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000590441249 449163240 /nfs/dbraw/zinc/16/32/40/449163240.db2.gz CSSOQKQJFLHLGN-NHYWBVRUSA-N 1 1 347.371 1.548 20 5 EDBDMO COCCOCC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000593116549 449142382 /nfs/dbraw/zinc/14/23/82/449142382.db2.gz LURMRXJZFXALTC-UHFFFAOYSA-N 1 1 337.420 1.684 20 5 EDBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000590390333 449144694 /nfs/dbraw/zinc/14/46/94/449144694.db2.gz YCSWIUSWEJVRPE-GFCCVEGCSA-N 1 1 334.376 1.315 20 5 EDBDMO C[C@]12COC[C@@H]1C[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000595755401 449149501 /nfs/dbraw/zinc/14/95/01/449149501.db2.gz ADKPVEBKJCBJPD-SJCJKPOMSA-N 1 1 347.371 1.861 20 5 EDBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000597990299 449175472 /nfs/dbraw/zinc/17/54/72/449175472.db2.gz LBTZRALABWGXSS-AWEZNQCLSA-N 1 1 345.355 1.684 20 5 EDBDMO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000590604480 449217240 /nfs/dbraw/zinc/21/72/40/449217240.db2.gz IRTZEPSEHDXVSA-KRWDZBQOSA-N 1 1 336.436 1.418 20 5 EDBDMO O=C(C[N@H+]1CC[C@@H]2COC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595826928 449190959 /nfs/dbraw/zinc/19/09/59/449190959.db2.gz BDPLGQHLCZDFNG-ZIAGYGMSSA-N 1 1 331.372 1.452 20 5 EDBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595875147 449224372 /nfs/dbraw/zinc/22/43/72/449224372.db2.gz PTHMWXKFGBADGX-MEDUHNTESA-N 1 1 337.376 1.492 20 5 EDBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595875147 449224376 /nfs/dbraw/zinc/22/43/76/449224376.db2.gz PTHMWXKFGBADGX-MEDUHNTESA-N 1 1 337.376 1.492 20 5 EDBDMO COCC[N@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593459983 449295714 /nfs/dbraw/zinc/29/57/14/449295714.db2.gz YLMKLHCRPCZBRE-ZDUSSCGKSA-N 1 1 325.340 1.113 20 5 EDBDMO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@H]1C ZINC000593528561 449326281 /nfs/dbraw/zinc/32/62/81/449326281.db2.gz NHMFPTKRGQNRCR-NEPJUHHUSA-N 1 1 342.421 1.531 20 5 EDBDMO COC(=O)c1cc(C)nc(NCCC[N@@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000593480648 449303274 /nfs/dbraw/zinc/30/32/74/449303274.db2.gz VAJIUMYADVTPQW-UHFFFAOYSA-N 1 1 338.408 2.475 20 5 EDBDMO CC[N@@H+](CCCNc1nccc(C(N)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000593488497 449306756 /nfs/dbraw/zinc/30/67/56/449306756.db2.gz JWHMAUJLDZYWEP-UHFFFAOYSA-N 1 1 349.435 2.545 20 5 EDBDMO CCN1CC[NH+]([C@H](C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000611525605 449321430 /nfs/dbraw/zinc/32/14/30/449321430.db2.gz ODABDNLGWSRYFR-GFCCVEGCSA-N 1 1 337.424 1.107 20 5 EDBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596128409 449378198 /nfs/dbraw/zinc/37/81/98/449378198.db2.gz HDVJCRFXESIPSJ-GFCCVEGCSA-N 1 1 329.360 1.974 20 5 EDBDMO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000593532125 449329041 /nfs/dbraw/zinc/32/90/41/449329041.db2.gz WSTZWGOCWHXTGP-NEPJUHHUSA-N 1 1 342.421 1.389 20 5 EDBDMO CC(C)[NH+]1CCN(C2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC000596178187 449398569 /nfs/dbraw/zinc/39/85/69/449398569.db2.gz IUZNFMGEQWLAQX-UHFFFAOYSA-N 1 1 349.435 1.690 20 5 EDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000598509251 449434677 /nfs/dbraw/zinc/43/46/77/449434677.db2.gz KMYWVSSBVUSFHA-OAHLLOKOSA-N 1 1 343.387 1.572 20 5 EDBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596236221 449431385 /nfs/dbraw/zinc/43/13/85/449431385.db2.gz KNTIWTAXFXUOMG-SNVBAGLBSA-N 1 1 330.410 1.383 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594202826 449389367 /nfs/dbraw/zinc/38/93/67/449389367.db2.gz SKAPYYHMTMQGTM-KGLIPLIRSA-N 1 1 335.408 1.623 20 5 EDBDMO COCC[N@H+]1CCC[C@@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611710717 449390830 /nfs/dbraw/zinc/39/08/30/449390830.db2.gz NLQSEKINNPFYSF-CYBMUJFWSA-N 1 1 331.376 2.061 20 5 EDBDMO CCc1nn(C)c(N2CCC([N@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596267884 449446979 /nfs/dbraw/zinc/44/69/79/449446979.db2.gz BGIBFGMNMCVNIP-UHFFFAOYSA-N 1 1 337.424 1.582 20 5 EDBDMO NC(=O)c1ccc(N2CCC([N@H+]3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000596269752 449448171 /nfs/dbraw/zinc/44/81/71/449448171.db2.gz ZUQWOXCBLXOEOT-UHFFFAOYSA-N 1 1 348.403 1.385 20 5 EDBDMO COC(=O)c1ccnc(NCc2c[nH+]c(N(C)C)n2C)c1[N+](=O)[O-] ZINC000598595566 449482850 /nfs/dbraw/zinc/48/28/50/449482850.db2.gz JSDHVWXMYZRHCB-UHFFFAOYSA-N 1 1 334.336 1.188 20 5 EDBDMO CC(C)Oc1cc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594386872 449486454 /nfs/dbraw/zinc/48/64/54/449486454.db2.gz NTEBNYNVKKKXGL-UONOGXRCSA-N 1 1 349.387 1.273 20 5 EDBDMO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000598603154 449487490 /nfs/dbraw/zinc/48/74/90/449487490.db2.gz YGVFQGNOFHSRJT-LLVKDONJSA-N 1 1 341.433 1.973 20 5 EDBDMO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594394278 449490590 /nfs/dbraw/zinc/49/05/90/449490590.db2.gz WETFGDJJZAJWAQ-NWDGAFQWSA-N 1 1 342.355 1.034 20 5 EDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596488408 449525740 /nfs/dbraw/zinc/52/57/40/449525740.db2.gz MEBHNWMHUIMUFV-OAHLLOKOSA-N 1 1 334.376 1.658 20 5 EDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](C(F)F)C2CCCCC2)c1 ZINC000598651060 449519832 /nfs/dbraw/zinc/51/98/32/449519832.db2.gz VYGDASBWDDDSAX-CHWSQXEVSA-N 1 1 332.351 1.956 20 5 EDBDMO O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1cc([N+](=O)[O-])c[nH]1 ZINC000596482595 449522791 /nfs/dbraw/zinc/52/27/91/449522791.db2.gz LGFFJCPNBZRFDC-ZIAGYGMSSA-N 1 1 334.376 1.296 20 5 EDBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000602429794 449580141 /nfs/dbraw/zinc/58/01/41/449580141.db2.gz ZDGKHMYVPYFMLL-SNVBAGLBSA-N 1 1 338.307 1.890 20 5 EDBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602453766 449600499 /nfs/dbraw/zinc/60/04/99/449600499.db2.gz OVGKQGNIIRIVJC-QWHCGFSZSA-N 1 1 337.424 1.845 20 5 EDBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602453766 449600505 /nfs/dbraw/zinc/60/05/05/449600505.db2.gz OVGKQGNIIRIVJC-QWHCGFSZSA-N 1 1 337.424 1.845 20 5 EDBDMO COc1cc(CCNC(=O)Cn2c[nH+]cc2C)c([N+](=O)[O-])cc1OC ZINC000598985013 449680105 /nfs/dbraw/zinc/68/01/05/449680105.db2.gz FXOHUUGQFDPSLP-UHFFFAOYSA-N 1 1 348.359 1.476 20 5 EDBDMO C[NH+]1CCN(CC2CN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000599097252 449729542 /nfs/dbraw/zinc/72/95/42/449729542.db2.gz CEMODHCCNJVYDH-UHFFFAOYSA-N 1 1 341.415 1.827 20 5 EDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)nc1-c1ccccc1 ZINC000599176274 449780369 /nfs/dbraw/zinc/78/03/69/449780369.db2.gz OWVODEIOEZTBCI-CQSZACIVSA-N 1 1 328.372 2.135 20 5 EDBDMO Cc1cc(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1[N+](=O)[O-] ZINC000599130434 449753286 /nfs/dbraw/zinc/75/32/86/449753286.db2.gz IJDGKRXMLPVINE-QGZVFWFLSA-N 1 1 335.404 1.931 20 5 EDBDMO Cc1cc(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000599130434 449753292 /nfs/dbraw/zinc/75/32/92/449753292.db2.gz IJDGKRXMLPVINE-QGZVFWFLSA-N 1 1 335.404 1.931 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnn4c3CCC4)C2)nc1 ZINC000597014773 449768338 /nfs/dbraw/zinc/76/83/38/449768338.db2.gz RVOSZBDJDFKMPF-ZDUSSCGKSA-N 1 1 328.376 1.819 20 5 EDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000602819993 449832480 /nfs/dbraw/zinc/83/24/80/449832480.db2.gz WEMMQWGWCQZWFM-JQWIXIFHSA-N 1 1 336.314 1.735 20 5 EDBDMO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])s1 ZINC000601343744 449853964 /nfs/dbraw/zinc/85/39/64/449853964.db2.gz QIXSMFKSTUBDPX-AOOOYVTPSA-N 1 1 331.419 1.480 20 5 EDBDMO Cc1ccc(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614926347 449880422 /nfs/dbraw/zinc/88/04/22/449880422.db2.gz MYBURSGOIKKZDM-UHFFFAOYSA-N 1 1 336.392 1.824 20 5 EDBDMO Cc1ccc(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614926347 449880426 /nfs/dbraw/zinc/88/04/26/449880426.db2.gz MYBURSGOIKKZDM-UHFFFAOYSA-N 1 1 336.392 1.824 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601370370 449885189 /nfs/dbraw/zinc/88/51/89/449885189.db2.gz XTZDJXDBCIOFGG-KWQFWETISA-N 1 1 345.446 1.726 20 5 EDBDMO Cc1cc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601370370 449885195 /nfs/dbraw/zinc/88/51/95/449885195.db2.gz XTZDJXDBCIOFGG-KWQFWETISA-N 1 1 345.446 1.726 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)CC3(O)CCC3)C2)nc1 ZINC000599326227 449894987 /nfs/dbraw/zinc/89/49/87/449894987.db2.gz TYJBBHXONWMJGI-OCCSQVGLSA-N 1 1 336.392 1.142 20 5 EDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608960014 449953333 /nfs/dbraw/zinc/95/33/33/449953333.db2.gz UCSPKSYJOCILNL-RYUDHWBXSA-N 1 1 347.371 1.723 20 5 EDBDMO Cc1cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000601393678 449909069 /nfs/dbraw/zinc/90/90/69/449909069.db2.gz FXAATDFKZWIIEQ-UHFFFAOYSA-N 1 1 345.396 1.757 20 5 EDBDMO Cn1c(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)ccc1[N+](=O)[O-] ZINC000603111593 450074950 /nfs/dbraw/zinc/07/49/50/450074950.db2.gz SHCVNTFHRFMLPU-CHWSQXEVSA-N 1 1 336.392 1.162 20 5 EDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609531547 450044457 /nfs/dbraw/zinc/04/44/57/450044457.db2.gz TZTISTQVWJIBLM-NSHDSACASA-N 1 1 335.360 1.928 20 5 EDBDMO COc1cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000603088553 450057989 /nfs/dbraw/zinc/05/79/89/450057989.db2.gz NLILTWVYQVYXLN-YMTOWFKASA-N 1 1 330.287 1.771 20 5 EDBDMO COc1cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000603088553 450057993 /nfs/dbraw/zinc/05/79/93/450057993.db2.gz NLILTWVYQVYXLN-YMTOWFKASA-N 1 1 330.287 1.771 20 5 EDBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610269371 450176079 /nfs/dbraw/zinc/17/60/79/450176079.db2.gz KRZCRQJTKQVAMY-LBPRGKRZSA-N 1 1 342.421 1.342 20 5 EDBDMO C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610369800 450202375 /nfs/dbraw/zinc/20/23/75/450202375.db2.gz DSBQYKPVONTNDB-CZUORRHYSA-N 1 1 334.376 1.035 20 5 EDBDMO Nc1c(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000610520755 450252291 /nfs/dbraw/zinc/25/22/91/450252291.db2.gz HXNNCEAKEMBEEC-ZDUSSCGKSA-N 1 1 348.403 1.504 20 5 EDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000595593914 450252772 /nfs/dbraw/zinc/25/27/72/450252772.db2.gz BLWBETPMRNJAPN-INIZCTEOSA-N 1 1 343.383 1.729 20 5 EDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000603422971 450295124 /nfs/dbraw/zinc/29/51/24/450295124.db2.gz KWZSXHPUTBCVKO-MRXNPFEDSA-N 1 1 334.420 1.803 20 5 EDBDMO CC[N@H+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@@H]1C ZINC000619737011 450323314 /nfs/dbraw/zinc/32/33/14/450323314.db2.gz GXGWDAKXIUZJEE-LBPRGKRZSA-N 1 1 330.392 1.921 20 5 EDBDMO CC[N@H+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@H]1C ZINC000619737010 450323793 /nfs/dbraw/zinc/32/37/93/450323793.db2.gz GXGWDAKXIUZJEE-GFCCVEGCSA-N 1 1 330.392 1.921 20 5 EDBDMO Cn1c(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000603561912 450324366 /nfs/dbraw/zinc/32/43/66/450324366.db2.gz PZNVNLKXYWVVBS-ZDUSSCGKSA-N 1 1 336.392 1.260 20 5 EDBDMO CCc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619873329 450349289 /nfs/dbraw/zinc/34/92/89/450349289.db2.gz DPEREWFBPHHTKL-OAHLLOKOSA-N 1 1 332.404 1.277 20 5 EDBDMO C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000610899551 450373967 /nfs/dbraw/zinc/37/39/67/450373967.db2.gz GROVNWOHQNKHDG-DOMZBBRYSA-N 1 1 336.392 1.156 20 5 EDBDMO C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000610899551 450373971 /nfs/dbraw/zinc/37/39/71/450373971.db2.gz GROVNWOHQNKHDG-DOMZBBRYSA-N 1 1 336.392 1.156 20 5 EDBDMO C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000610899806 450374911 /nfs/dbraw/zinc/37/49/11/450374911.db2.gz OQHZZDAPXDMHBG-WFASDCNBSA-N 1 1 336.392 1.455 20 5 EDBDMO C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000610899806 450374916 /nfs/dbraw/zinc/37/49/16/450374916.db2.gz OQHZZDAPXDMHBG-WFASDCNBSA-N 1 1 336.392 1.455 20 5 EDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154686826 533895737 /nfs/dbraw/zinc/89/57/37/533895737.db2.gz PSRKGZIVTAJYTA-WFASDCNBSA-N 1 1 341.433 1.697 20 5 EDBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(c2ccccc2O)CC1 ZINC000159737590 534321949 /nfs/dbraw/zinc/32/19/49/534321949.db2.gz DJFARJXQOHDEEZ-UHFFFAOYSA-N 1 1 344.371 1.284 20 5 EDBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000174020786 527822345 /nfs/dbraw/zinc/82/23/45/527822345.db2.gz CJVQAEKQRRHEAN-ZDUSSCGKSA-N 1 1 341.433 1.866 20 5 EDBDMO CC[NH+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000154059467 529135630 /nfs/dbraw/zinc/13/56/30/529135630.db2.gz PJDMYUCVPQPGBK-UHFFFAOYSA-N 1 1 329.360 1.558 20 5 EDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@@H+](C)[C@H](C)C1 ZINC000761074625 580046642 /nfs/dbraw/zinc/04/66/42/580046642.db2.gz XZZALSZJWNTTKY-VXGBXAGGSA-N 1 1 336.392 1.566 20 5 EDBDMO CC(C)[N@H+]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000735882085 578932420 /nfs/dbraw/zinc/93/24/20/578932420.db2.gz OHHKIWWPRHEKDC-UHFFFAOYSA-N 1 1 331.380 1.695 20 5 EDBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736290801 578974210 /nfs/dbraw/zinc/97/42/10/578974210.db2.gz CBOCINHGRYLSDP-ZYHUDNBSSA-N 1 1 329.364 1.448 20 5 EDBDMO COCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000737005447 579039821 /nfs/dbraw/zinc/03/98/21/579039821.db2.gz SBZMFRPFJZWPTH-LBPRGKRZSA-N 1 1 347.379 1.298 20 5 EDBDMO Cc1nn(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(C)c1[N+](=O)[O-] ZINC000738209242 579172581 /nfs/dbraw/zinc/17/25/81/579172581.db2.gz OSJBBWBEEOHVTK-HNNXBMFYSA-N 1 1 336.440 1.077 20 5 EDBDMO C/C(=C/C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000751746314 579820095 /nfs/dbraw/zinc/82/00/95/579820095.db2.gz RSTYCIAUIKYZDS-RKXUAZDKSA-N 1 1 345.399 1.978 20 5 EDBDMO CC[N@@H+]1CCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C[C@H]1C ZINC000754079770 579895777 /nfs/dbraw/zinc/89/57/77/579895777.db2.gz LHOSPIOMLXGBNN-SNVBAGLBSA-N 1 1 338.364 1.834 20 5 EDBDMO CC[N@H+]1CCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C[C@H]1C ZINC000754079770 579895778 /nfs/dbraw/zinc/89/57/78/579895778.db2.gz LHOSPIOMLXGBNN-SNVBAGLBSA-N 1 1 338.364 1.834 20 5 EDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000754222867 579898726 /nfs/dbraw/zinc/89/87/26/579898726.db2.gz GAQSVNISCRMBEX-JTQLQIEISA-N 1 1 336.348 1.978 20 5 EDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000754222867 579898727 /nfs/dbraw/zinc/89/87/27/579898727.db2.gz GAQSVNISCRMBEX-JTQLQIEISA-N 1 1 336.348 1.978 20 5 EDBDMO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000754505595 579904531 /nfs/dbraw/zinc/90/45/31/579904531.db2.gz OXAROYLURHLPTR-AWEZNQCLSA-N 1 1 340.380 1.128 20 5 EDBDMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C[N@H+]1C ZINC000768841741 580221973 /nfs/dbraw/zinc/22/19/73/580221973.db2.gz NBEASIDALPPJHM-MNOVXSKESA-N 1 1 325.340 1.664 20 5 EDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000769141255 580229816 /nfs/dbraw/zinc/22/98/16/580229816.db2.gz LRNWNJSKBKKDKY-VXGBXAGGSA-N 1 1 335.360 1.337 20 5 EDBDMO O=C1NCC2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)O1 ZINC000775097654 580382787 /nfs/dbraw/zinc/38/27/87/580382787.db2.gz JTUUBSKBDOEMIS-UHFFFAOYSA-N 1 1 336.304 1.577 20 5 EDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000776590137 580422863 /nfs/dbraw/zinc/42/28/63/580422863.db2.gz YKGPAQWFIAXZPD-YOEHRIQHSA-N 1 1 335.404 1.282 20 5 EDBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1 ZINC000776599255 580423672 /nfs/dbraw/zinc/42/36/72/580423672.db2.gz ZLIPWPLRFYMENT-CWRNSKLLSA-N 1 1 333.388 1.619 20 5 EDBDMO Cn1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000780381728 580520778 /nfs/dbraw/zinc/52/07/78/580520778.db2.gz UMXMWWWHMUBDEX-ZDUSSCGKSA-N 1 1 330.344 1.760 20 5 EDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000794711145 580904184 /nfs/dbraw/zinc/90/41/84/580904184.db2.gz QCHHYLQSHWTDFT-OAHLLOKOSA-N 1 1 330.348 1.008 20 5 EDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)OCCC[NH+]1CCOCC1 ZINC000795712949 580935131 /nfs/dbraw/zinc/93/51/31/580935131.db2.gz SCKPQJOPVJEURL-UHFFFAOYSA-N 1 1 338.360 1.873 20 5 EDBDMO COc1cccc(C(=O)OCCC[N@@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000893386506 590825466 /nfs/dbraw/zinc/82/54/66/590825466.db2.gz VIOCCADVGLBRHH-GFCCVEGCSA-N 1 1 338.360 1.871 20 5 EDBDMO COc1cccc(C(=O)OCCC[N@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000893386506 590825469 /nfs/dbraw/zinc/82/54/69/590825469.db2.gz VIOCCADVGLBRHH-GFCCVEGCSA-N 1 1 338.360 1.871 20 5 EDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCC[N@H+]1CCO[C@@H](C)C1 ZINC000893389769 590828830 /nfs/dbraw/zinc/82/88/30/590828830.db2.gz NQLSUHCLZOWENR-LBPRGKRZSA-N 1 1 340.380 1.144 20 5 EDBDMO COc1ccc(CNC(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000892211725 590865593 /nfs/dbraw/zinc/86/55/93/590865593.db2.gz MBEDCYAVTSUCRF-LBPRGKRZSA-N 1 1 336.392 1.744 20 5 EDBDMO CC[N@H+]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000892971254 591243557 /nfs/dbraw/zinc/24/35/57/591243557.db2.gz OTLWNDRDUUQDLW-LBPRGKRZSA-N 1 1 330.388 1.977 20 5 EDBDMO C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896574391 591534958 /nfs/dbraw/zinc/53/49/58/591534958.db2.gz ZOOFVXKURWKODT-YGRLFVJLSA-N 1 1 340.811 1.612 20 5 EDBDMO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000896581624 591542358 /nfs/dbraw/zinc/54/23/58/591542358.db2.gz RJZNDHUXZZZEAN-YGRLFVJLSA-N 1 1 340.811 1.612 20 5 EDBDMO CNC(=O)c1ccc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895247158 591679592 /nfs/dbraw/zinc/67/95/92/591679592.db2.gz FEBJLGIEVIIFGO-NHYWBVRUSA-N 1 1 335.408 1.001 20 5 EDBDMO CNC(=O)c1ccc(N[C@@H](C)[C@@H]2CN(C)CCN2C)c([N+](=O)[O-])c1 ZINC000895247158 591679595 /nfs/dbraw/zinc/67/95/95/591679595.db2.gz FEBJLGIEVIIFGO-NHYWBVRUSA-N 1 1 335.408 1.001 20 5 EDBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)N2CCCC2)c(Cl)c1 ZINC000897830722 591687857 /nfs/dbraw/zinc/68/78/57/591687857.db2.gz KOFWRQVFNILCPU-UHFFFAOYSA-N 1 1 347.824 1.763 20 5 EDBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000897834215 591689770 /nfs/dbraw/zinc/68/97/70/591689770.db2.gz FPPMPBLTOPPLCD-UHFFFAOYSA-N 1 1 348.403 1.106 20 5 EDBDMO CCc1nn(C)c(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895565786 591807178 /nfs/dbraw/zinc/80/71/78/591807178.db2.gz DBWONXGONGOGKS-NEPJUHHUSA-N 1 1 325.438 1.882 20 5 EDBDMO CCc1nn(C)c(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895565786 591807180 /nfs/dbraw/zinc/80/71/80/591807180.db2.gz DBWONXGONGOGKS-NEPJUHHUSA-N 1 1 325.438 1.882 20 5 EDBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000903214972 592140651 /nfs/dbraw/zinc/14/06/51/592140651.db2.gz CPTVHWYSEXDARD-LBPRGKRZSA-N 1 1 325.390 1.372 20 5 EDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000903215748 592140674 /nfs/dbraw/zinc/14/06/74/592140674.db2.gz OGKZDQFMZITJGK-CQSZACIVSA-N 1 1 339.417 1.626 20 5 EDBDMO C[N@H+]1C[C@@H]2CN(Cn3cc(Br)c([N+](=O)[O-])n3)C[C@]2(C)C1 ZINC000904438085 592260379 /nfs/dbraw/zinc/26/03/79/592260379.db2.gz XDEZDSFTFGAEHJ-SKDRFNHKSA-N 1 1 344.213 1.395 20 5 EDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908055003 592277133 /nfs/dbraw/zinc/27/71/33/592277133.db2.gz RXOWOFSVZOTFTI-QGZVFWFLSA-N 1 1 335.404 1.443 20 5 EDBDMO Cc1nn(C[N@H+]2CC[C@H](C3OCCO3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000905694539 592624946 /nfs/dbraw/zinc/62/49/46/592624946.db2.gz BYODDHJLWFOSPY-LBPRGKRZSA-N 1 1 332.360 1.905 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906361732 592805114 /nfs/dbraw/zinc/80/51/14/592805114.db2.gz MBPPLYPMJZPEMV-LBPRGKRZSA-N 1 1 349.387 1.828 20 5 EDBDMO O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CC[N@H+]2CCC[C@H]2C1 ZINC000906594112 592860683 /nfs/dbraw/zinc/86/06/83/592860683.db2.gz HJCHPXLYSKLQMM-LBPRGKRZSA-N 1 1 347.371 1.676 20 5 EDBDMO CC[N@H+]1CC[C@@H](CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000731613056 592926332 /nfs/dbraw/zinc/92/63/32/592926332.db2.gz BVXCAOHSJVFVDN-ZDUSSCGKSA-N 1 1 335.360 1.244 20 5 EDBDMO Cc1cc(Cl)c(C(=O)N(C)CC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC000912599345 593107387 /nfs/dbraw/zinc/10/73/87/593107387.db2.gz NZKBVQPRBJFKSD-UHFFFAOYSA-N 1 1 329.784 1.553 20 5 EDBDMO O=C1O[C@@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CC12CC2 ZINC000839032607 593255741 /nfs/dbraw/zinc/25/57/41/593255741.db2.gz QYAUHDOPVYQYOM-GFCCVEGCSA-N 1 1 332.360 1.208 20 5 EDBDMO COC[C@@H]1CCC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839996783 593315966 /nfs/dbraw/zinc/31/59/66/593315966.db2.gz SSOGRYRGWNHCNQ-CXAGYDPISA-N 1 1 349.387 1.848 20 5 EDBDMO COC[C@@H]1CCC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839996783 593315967 /nfs/dbraw/zinc/31/59/67/593315967.db2.gz SSOGRYRGWNHCNQ-CXAGYDPISA-N 1 1 349.387 1.848 20 5 EDBDMO CC(C)[C@@H](C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[NH+](C)C ZINC000803695906 593356324 /nfs/dbraw/zinc/35/63/24/593356324.db2.gz FXPFHBHHQCSKEM-CABCVRRESA-N 1 1 349.387 1.830 20 5 EDBDMO O=C1[C@H]2CCC[C@H]2CN1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000840057630 593433970 /nfs/dbraw/zinc/43/39/70/593433970.db2.gz BHOBQCALAJGEKD-JSGCOSHPSA-N 1 1 333.392 1.644 20 5 EDBDMO