smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000020389622 202040486 /nfs/dbraw/zinc/04/04/86/202040486.db2.gz FQUYQZIFBQYCNB-UHFFFAOYSA-N 0 0 344.165 1.628 50 5 EDBARN Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000029525988 202187647 /nfs/dbraw/zinc/18/76/47/202187647.db2.gz DXYJTTISJVZHOF-AWEZNQCLSA-N 0 0 331.376 1.814 50 5 EDBARN Cc1nn(CC(=O)N2CCN(CC(F)(F)F)CC2)c(C)c1[N+](=O)[O-] ZINC000032865690 202238838 /nfs/dbraw/zinc/23/88/38/202238838.db2.gz UYKXPLQOMVIBQD-UHFFFAOYSA-N 0 0 349.313 1.115 50 5 EDBARN O=C([C@@H]1CCCO1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298718833 201354042 /nfs/dbraw/zinc/35/40/42/201354042.db2.gz NAYWNRORZSDBER-INIZCTEOSA-N 0 0 333.388 1.461 50 5 EDBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)N1CCOCC1 ZINC000002625284 201537859 /nfs/dbraw/zinc/53/78/59/201537859.db2.gz ZIKDZZMRRPNORO-UHFFFAOYSA-N 0 0 328.708 1.264 50 5 EDBARN O=C(Cc1ccccc1)NCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000069493594 203008889 /nfs/dbraw/zinc/00/88/89/203008889.db2.gz IEJMELHRMZDQTJ-UHFFFAOYSA-N 0 0 345.330 1.823 50 5 EDBARN Cn1cnc([N+](=O)[O-])c1NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000069974489 203067234 /nfs/dbraw/zinc/06/72/34/203067234.db2.gz MBLVSTOTZBTABM-UHFFFAOYSA-N 0 0 340.361 1.223 50 5 EDBARN CN(c1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000069974860 203067528 /nfs/dbraw/zinc/06/75/28/203067528.db2.gz ZNWASOQKCZRWEQ-LLVKDONJSA-N 0 0 346.322 1.348 50 5 EDBARN COc1ccc(NC(=O)[C@H]2CCCN2c2c([N+](=O)[O-])ncn2C)cc1 ZINC000071904109 203144783 /nfs/dbraw/zinc/14/47/83/203144783.db2.gz RWDBXUNXFMTRLI-CYBMUJFWSA-N 0 0 345.359 1.944 50 5 EDBARN Cc1nccn1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000071909104 203146272 /nfs/dbraw/zinc/14/62/72/203146272.db2.gz UUVYXWZIEKGTJD-UHFFFAOYSA-N 0 0 338.389 1.777 50 5 EDBARN CC(C)(C)[S@@](=O)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000072281124 203190899 /nfs/dbraw/zinc/19/08/99/203190899.db2.gz SNZPSEHWWABKBW-HSZRJFAPSA-N 0 0 338.389 1.748 50 5 EDBARN CCOC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCCOC1 ZINC000095469078 203747934 /nfs/dbraw/zinc/74/79/34/203747934.db2.gz AMGWIKLNHKNQDJ-SKDRFNHKSA-N 0 0 326.305 1.276 50 5 EDBARN Cc1nn(CC(=O)N2CC(=O)Nc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000003433273 206467441 /nfs/dbraw/zinc/46/74/41/206467441.db2.gz UNTXVHVFSMGCQT-UHFFFAOYSA-N 0 0 329.316 1.393 50 5 EDBARN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013562144 285012080 /nfs/dbraw/zinc/01/20/80/285012080.db2.gz AGMPDTXVUKOXFW-XXHBBNRNSA-N 0 0 344.283 1.637 50 5 EDBARN C[C@@H](NC(=O)N[C@@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000171868581 533203437 /nfs/dbraw/zinc/20/34/37/533203437.db2.gz CCMBBELTPYWKQH-ZYHUDNBSSA-N 0 0 330.348 1.562 50 5 EDBARN COc1ncccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000030306038 278095441 /nfs/dbraw/zinc/09/54/41/278095441.db2.gz YWVAAVRQGJJOQH-UHFFFAOYSA-N 0 0 330.344 1.994 50 5 EDBARN CCn1cc([C@@H](C)NC(=O)CCn2ncc([N+](=O)[O-])c2C)c(C)n1 ZINC000002793959 440878045 /nfs/dbraw/zinc/87/80/45/440878045.db2.gz NNGWMCIJALXKPZ-SNVBAGLBSA-N 0 0 334.380 1.892 50 5 EDBARN COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000002990921 440885894 /nfs/dbraw/zinc/88/58/94/440885894.db2.gz COJXSYLDYLWOKY-SNVBAGLBSA-N 0 0 330.362 1.461 50 5 EDBARN O=C1CCCC(=O)N1c1ccc(NCCOCCO)c([N+](=O)[O-])c1 ZINC000004684497 440924865 /nfs/dbraw/zinc/92/48/65/440924865.db2.gz KGQLRXRKTQEQNL-UHFFFAOYSA-N 0 0 337.332 1.059 50 5 EDBARN Cc1ccc(S(=O)(=O)CC(=O)Nc2ncc([N+](=O)[O-])s2)cc1 ZINC000004732340 440926308 /nfs/dbraw/zinc/92/63/08/440926308.db2.gz WHDMILGUFJOJNN-UHFFFAOYSA-N 0 0 341.370 1.772 50 5 EDBARN CN1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(F)c3)n2)CC1 ZINC000005025312 440935939 /nfs/dbraw/zinc/93/59/39/440935939.db2.gz ZDCXUOHWOXGDNF-UHFFFAOYSA-N 0 0 347.354 1.602 50 5 EDBARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000007701836 441063546 /nfs/dbraw/zinc/06/35/46/441063546.db2.gz PGLWQHOTONSOIJ-ZIAGYGMSSA-N 0 0 343.339 1.875 50 5 EDBARN Cc1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)ccc1Br ZINC000008295748 441088289 /nfs/dbraw/zinc/08/82/89/441088289.db2.gz ACROEZKBZWGXRM-UHFFFAOYSA-N 0 0 340.137 1.896 50 5 EDBARN CC(C)NC(=O)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000047342444 441177642 /nfs/dbraw/zinc/17/76/42/441177642.db2.gz XPDIPBCBJRNGSQ-UHFFFAOYSA-N 0 0 348.403 1.314 50 5 EDBARN O=[N+]([O-])c1ccc(Sc2nnc(N3CCOCC3)s2)nc1 ZINC000058140210 441152892 /nfs/dbraw/zinc/15/28/92/441152892.db2.gz FXKNBOZKDVNNIW-UHFFFAOYSA-N 0 0 325.375 1.829 50 5 EDBARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000048355363 441298368 /nfs/dbraw/zinc/29/83/68/441298368.db2.gz UNYPTOKNPUDFGX-UHFFFAOYSA-N 0 0 341.331 1.628 50 5 EDBARN O=C(NC[C@@H]1COCCO1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050589103 441383534 /nfs/dbraw/zinc/38/35/34/441383534.db2.gz ABHAUCMHHCNHNE-GFCCVEGCSA-N 0 0 349.368 1.864 50 5 EDBARN O=C(NCC(F)(F)F)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000026776243 441384975 /nfs/dbraw/zinc/38/49/75/441384975.db2.gz VFWOASVCBRYHKV-UHFFFAOYSA-N 0 0 332.282 1.885 50 5 EDBARN Cc1cc(C)n(Cc2cccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2)n1 ZINC000054031889 441554803 /nfs/dbraw/zinc/55/48/03/441554803.db2.gz HVCFGXZQISQEOM-HZPDHXFCSA-N 0 0 328.372 1.830 50 5 EDBARN NC(=O)c1ccc(Cn2cnc(C3CCC3)cc2=O)c([N+](=O)[O-])c1 ZINC000089705096 441572299 /nfs/dbraw/zinc/57/22/99/441572299.db2.gz RDGXBSKOKDCUCN-UHFFFAOYSA-N 0 0 328.328 1.566 50 5 EDBARN CC(=O)NCCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000032771364 441570675 /nfs/dbraw/zinc/57/06/75/441570675.db2.gz GFFOJWZEOBNMDL-UHFFFAOYSA-N 0 0 329.378 1.016 50 5 EDBARN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ncccc1Br ZINC000076059444 441590943 /nfs/dbraw/zinc/59/09/43/441590943.db2.gz GODLVFCXJNUJMD-UHFFFAOYSA-N 0 0 340.137 1.978 50 5 EDBARN O=C(Nc1ccncc1[N+](=O)[O-])N1CCCN(CC(F)F)CC1 ZINC000096004889 441977722 /nfs/dbraw/zinc/97/77/22/441977722.db2.gz UHVPYSHPXBMXSG-UHFFFAOYSA-N 0 0 329.307 1.795 50 5 EDBARN Cc1c(F)cc(S(=O)(=O)NCCc2nccn2C)cc1[N+](=O)[O-] ZINC000097097269 442167119 /nfs/dbraw/zinc/16/71/19/442167119.db2.gz SKZQGSMGDOLSTF-UHFFFAOYSA-N 0 0 342.352 1.297 50 5 EDBARN COc1ccc(CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1O ZINC000170620795 442237695 /nfs/dbraw/zinc/23/76/95/442237695.db2.gz UEXRTNRZYSVLTD-UHFFFAOYSA-N 0 0 348.359 1.829 50 5 EDBARN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc2[nH]nnc2c1 ZINC000157300070 442569181 /nfs/dbraw/zinc/56/91/81/442569181.db2.gz RBKHNIDSCYGERS-UHFFFAOYSA-N 0 0 347.356 1.851 50 5 EDBARN CCn1cnnc1[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2CC)CCO1 ZINC000225458476 443105529 /nfs/dbraw/zinc/10/55/29/443105529.db2.gz YGNPOSNVZOSIIF-LLVKDONJSA-N 0 0 335.368 1.309 50 5 EDBARN CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@]1(C)O ZINC000245238394 443219315 /nfs/dbraw/zinc/21/93/15/443219315.db2.gz MZJXZKVHHNSFHZ-COPLHBTASA-N 0 0 339.373 1.001 50 5 EDBARN CC[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC000272283016 443579081 /nfs/dbraw/zinc/57/90/81/443579081.db2.gz UBNGERPVZCUJOQ-NOZJJQNGSA-N 0 0 340.286 1.838 50 5 EDBARN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000408517542 447671250 /nfs/dbraw/zinc/67/12/50/447671250.db2.gz KFXIJBCFJSVRMG-BLLLJJGKSA-N 0 0 332.360 1.762 50 5 EDBARN CN1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)Cc2ccccc21 ZINC000585132602 448703341 /nfs/dbraw/zinc/70/33/41/448703341.db2.gz FEVASFVCVFAYCE-LLVKDONJSA-N 0 0 327.344 1.562 50 5 EDBARN C[C@H](Sc1ncc([N+](=O)[O-])c(N)n1)C(=O)NC1CCC(C)CC1 ZINC000519696977 448820209 /nfs/dbraw/zinc/82/02/09/448820209.db2.gz BLHPGTHSCJUDDG-KYHHOPLUSA-N 0 0 339.421 2.143 50 5 EDBARN O=C(N[C@@H]1CC[S@@](=O)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078998056 295788822 /nfs/dbraw/zinc/78/88/22/295788822.db2.gz JDSGICFWIMLVDQ-PJLCYMMNSA-N 0 0 336.291 1.864 50 5 EDBARN Cn1c(CN2CCOCC2)nnc1Sc1ncccc1[N+](=O)[O-] ZINC000019799629 202020267 /nfs/dbraw/zinc/02/02/67/202020267.db2.gz FYFVNHZIKDYRBC-UHFFFAOYSA-N 0 0 336.377 1.102 50 5 EDBARN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000025127619 202126836 /nfs/dbraw/zinc/12/68/36/202126836.db2.gz UZBIZWUEEMUNPD-MELADBBJSA-N 0 0 335.404 1.751 50 5 EDBARN CCCNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029938733 202192384 /nfs/dbraw/zinc/19/23/84/202192384.db2.gz GJJPWZKQXTUFES-UHFFFAOYSA-N 0 0 335.769 1.053 50 5 EDBARN CCc1nc2n(n1)[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)N2 ZINC000031815096 202210498 /nfs/dbraw/zinc/21/04/98/202210498.db2.gz JEJLXPHCFSUNPE-LLVKDONJSA-N 0 0 344.331 1.579 50 5 EDBARN CC[C@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035585198 202307587 /nfs/dbraw/zinc/30/75/87/202307587.db2.gz CBVWFALMLFYWIN-LBPRGKRZSA-N 0 0 327.406 1.700 50 5 EDBARN CNC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O ZINC000001315874 201501792 /nfs/dbraw/zinc/50/17/92/201501792.db2.gz UHCXDPYPTOXJFG-UHFFFAOYSA-N 0 0 338.323 1.718 50 5 EDBARN CCn1ncc(CN(C)C(=O)CCn2cc([N+](=O)[O-])c(C)n2)c1C ZINC000002779023 201545017 /nfs/dbraw/zinc/54/50/17/201545017.db2.gz OWFWQYHIJJWVDU-UHFFFAOYSA-N 0 0 334.380 1.673 50 5 EDBARN COc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)c([N+](=O)[O-])c1 ZINC000004129566 201591469 /nfs/dbraw/zinc/59/14/69/201591469.db2.gz AZEZIYXUKBLRJB-UHFFFAOYSA-N 0 0 340.299 1.831 50 5 EDBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(C(F)(F)F)n1 ZINC000069617366 203026021 /nfs/dbraw/zinc/02/60/21/203026021.db2.gz PSPPGFSITYLHHO-UHFFFAOYSA-N 0 0 342.233 1.809 50 5 EDBARN CC(C)(C)OC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC000069895460 203060875 /nfs/dbraw/zinc/06/08/75/203060875.db2.gz WRKKHIOGUHUGMP-GHMZBOCLSA-N 0 0 327.381 1.605 50 5 EDBARN Cc1cc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])no1 ZINC000071888460 203138416 /nfs/dbraw/zinc/13/84/16/203138416.db2.gz ZOMHZNJICBWDKU-UHFFFAOYSA-N 0 0 338.707 1.913 50 5 EDBARN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000085637364 203545964 /nfs/dbraw/zinc/54/59/64/203545964.db2.gz APXRILCSQJSDTN-LLVKDONJSA-N 0 0 341.389 1.768 50 5 EDBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1nc(C)cs1 ZINC000043273136 204237747 /nfs/dbraw/zinc/23/77/47/204237747.db2.gz GPYNKEWYCZBXGC-UHFFFAOYSA-N 0 0 343.386 1.847 50 5 EDBARN Cc1nc(N2CCN(C(=O)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000095414828 218353465 /nfs/dbraw/zinc/35/34/65/218353465.db2.gz KJJWBBKWNBJFEH-UHFFFAOYSA-N 0 0 327.344 1.656 50 5 EDBARN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCCc2n[nH]cc21 ZINC000177319258 207320528 /nfs/dbraw/zinc/32/05/28/207320528.db2.gz YVCCGTFLWFQIOD-NSHDSACASA-N 0 0 329.360 1.966 50 5 EDBARN COC1(C)CN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000418907500 257929800 /nfs/dbraw/zinc/92/98/00/257929800.db2.gz XFRLQQUOYVRYLJ-UHFFFAOYSA-N 0 0 349.128 1.820 50 5 EDBARN C[C@@H]1C[C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271268056 140268193 /nfs/dbraw/zinc/26/81/93/140268193.db2.gz MVJIVEURCFPBLF-DGCLKSJQSA-N 0 0 328.390 1.829 50 5 EDBARN CCN1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004168657 273666150 /nfs/dbraw/zinc/66/61/50/273666150.db2.gz MRNPPYYGIPYPJD-UHFFFAOYSA-N 0 0 338.383 1.712 50 5 EDBARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000000456345 276440595 /nfs/dbraw/zinc/44/05/95/276440595.db2.gz MLCFFFRBDGOQGA-NSHDSACASA-N 0 0 342.373 1.559 50 5 EDBARN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(CC(F)F)CC2)c1 ZINC000096501049 277436976 /nfs/dbraw/zinc/43/69/76/277436976.db2.gz CUEQGTRLHDUUCW-UHFFFAOYSA-N 0 0 329.303 1.769 50 5 EDBARN O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC1CCCCC1 ZINC000000261974 440810898 /nfs/dbraw/zinc/81/08/98/440810898.db2.gz XISORPJGTBPTKW-UHFFFAOYSA-N 0 0 342.373 1.749 50 5 EDBARN O=C(c1ccco1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000000477221 440824841 /nfs/dbraw/zinc/82/48/41/440824841.db2.gz JXEKVQADIJGADP-UHFFFAOYSA-N 0 0 329.312 1.786 50 5 EDBARN Cn1ccc(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)n1 ZINC000002778238 440875871 /nfs/dbraw/zinc/87/58/71/440875871.db2.gz 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CCOCCCNc1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-] ZINC000004922980 440932378 /nfs/dbraw/zinc/93/23/78/440932378.db2.gz RPTCLISTXRGDBG-UHFFFAOYSA-N 0 0 341.755 1.906 50 5 EDBARN Cc1nn(CCC(=O)N2NC=C[C@@]2(O)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000006526301 440996367 /nfs/dbraw/zinc/99/63/67/440996367.db2.gz FVVYNLXRYOCWKX-LLVKDONJSA-N 0 0 349.269 1.267 50 5 EDBARN CN(C)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000008917186 441101803 /nfs/dbraw/zinc/10/18/03/441101803.db2.gz HVGVLZCJURTTPO-CYBMUJFWSA-N 0 0 333.344 1.986 50 5 EDBARN C[C@@H]1CN(Cc2ccccc2NC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)O1 ZINC000046343385 441102560 /nfs/dbraw/zinc/10/25/60/441102560.db2.gz OZBWPWQMEWFCMD-NCZKRNLISA-N 0 0 333.388 1.900 50 5 EDBARN O=C1[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000103561063 441183498 /nfs/dbraw/zinc/18/34/98/441183498.db2.gz POUUGZABYYMHEO-DZGCQCFKSA-N 0 0 337.291 1.887 50 5 EDBARN CC[C@@H](C)n1c(=N)c(C(=O)NC)cc2c1nc1c(C)cccn1c2=O ZINC000100859910 441153339 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CC[C@@H]1COCCN1CC(=O)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000072661090 276582956 /nfs/dbraw/zinc/58/29/56/276582956.db2.gz GWUYPSSZBRIURR-CQSZACIVSA-N 0 0 333.388 1.985 50 5 EDBARN O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1ccccc1 ZINC000103591183 280319784 /nfs/dbraw/zinc/31/97/84/280319784.db2.gz LCCZFLWFZTYNPY-DZGCQCFKSA-N 0 0 337.291 1.887 50 5 EDBARN Cc1cccc(C2N3CC4([N+](=O)[O-])CN2CC([N+](=O)[O-])(C3)C4(C)C)c1 ZINC000019324029 301982144 /nfs/dbraw/zinc/98/21/44/301982144.db2.gz KHEUKJOESHVJMB-UHFFFAOYSA-N 0 0 346.387 1.696 50 5 EDBARN Cn1ncc2c1ncnc2N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004271600 440913543 /nfs/dbraw/zinc/91/35/43/440913543.db2.gz UOERFKZYVYJOSX-UHFFFAOYSA-N 0 0 339.359 1.598 50 5 EDBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NCc1ccc2c(c1)OCO2 ZINC000003254919 440892796 /nfs/dbraw/zinc/89/27/96/440892796.db2.gz LVURFSAQQIWDGG-UHFFFAOYSA-N 0 0 348.267 1.390 50 5 EDBARN Cc1cc([N+](=O)[O-])nn1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000004745691 440926675 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O=C(Nc1ccc(I)cn1)[C@@H]1CC1[N+](=O)[O-] ZINC000076022119 441579033 /nfs/dbraw/zinc/57/90/33/441579033.db2.gz BQWGETCBMBXPJI-RNFRBKRXSA-N 0 0 333.085 1.290 50 5 EDBARN COc1ccc(F)cc1C[S@](=O)CCn1cc([N+](=O)[O-])cn1 ZINC000095430738 441925131 /nfs/dbraw/zinc/92/51/31/441925131.db2.gz IABKLCZSOUTYKW-QFIPXVFZSA-N 0 0 327.337 1.888 50 5 EDBARN O=C(OC1CCN(c2ccc(Cl)nn2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000078989008 442005133 /nfs/dbraw/zinc/00/51/33/442005133.db2.gz FZFOBSIUAKEKFY-ZJUUUORDSA-N 0 0 326.740 1.307 50 5 EDBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CCCn2ccnc2)CC1 ZINC000096493107 442143466 /nfs/dbraw/zinc/14/34/66/442143466.db2.gz UXSFAXNNBWFJKK-UHFFFAOYSA-N 0 0 343.387 1.639 50 5 EDBARN CNC(=O)c1ccc(NCc2nnc(C(C)C)n2C)c([N+](=O)[O-])c1 ZINC000096499890 442144619 /nfs/dbraw/zinc/14/46/19/442144619.db2.gz UMQDNRKNWYJVAP-UHFFFAOYSA-N 0 0 332.364 1.818 50 5 EDBARN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000194742044 442947450 /nfs/dbraw/zinc/94/74/50/442947450.db2.gz 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EDBARN O=C(OCn1nnc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000000067168 209398544 /nfs/dbraw/zinc/39/85/44/209398544.db2.gz GKUHBECZAORDBA-UHFFFAOYSA-N 0 0 326.268 1.514 50 5 EDBARN Cc1nc(CN2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000075134025 216571620 /nfs/dbraw/zinc/57/16/20/216571620.db2.gz GYEBKLULLUDXBB-UHFFFAOYSA-N 0 0 345.359 1.173 50 5 EDBARN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1cn2cccnc2n1 ZINC000193599732 240227754 /nfs/dbraw/zinc/22/77/54/240227754.db2.gz PHTFTVZSVVQUOT-UHFFFAOYSA-N 0 0 348.322 1.910 50 5 EDBARN COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000360739204 284445067 /nfs/dbraw/zinc/44/50/67/284445067.db2.gz LVHSFVIVVGVSMS-TZMCWYRMSA-N 0 0 336.344 1.696 50 5 EDBARN O=C(Nc1ccc2c(c1)OCO2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000010327732 211164239 /nfs/dbraw/zinc/16/42/39/211164239.db2.gz DUXITSAIYFPNKS-UHFFFAOYSA-N 0 0 329.268 1.901 50 5 EDBARN Cc1ccc(-n2nnnc2CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009570584 211102274 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O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CN(c2ccc(F)cc2)C1=O ZINC000378625726 158222353 /nfs/dbraw/zinc/22/23/53/158222353.db2.gz WTSHNJUHAOQJGR-AWEZNQCLSA-N 0 0 343.314 1.808 50 5 EDBARN CCNC(=O)CN(CC)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000040527967 276257512 /nfs/dbraw/zinc/25/75/12/276257512.db2.gz KKBIOJHRBTWRTR-UHFFFAOYSA-N 0 0 329.378 1.050 50 5 EDBARN Cc1noc(CN2CCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)n1 ZINC000096496051 279253225 /nfs/dbraw/zinc/25/32/25/279253225.db2.gz DHYWQDIVUREOBY-UHFFFAOYSA-N 0 0 333.348 1.101 50 5 EDBARN C[S@](=O)c1nncn1-c1ccc([N+](=O)[O-])cc1Br ZINC000253426336 280180558 /nfs/dbraw/zinc/18/05/58/280180558.db2.gz ZRAXWSTYPBYMEG-SFHVURJKSA-N 0 0 331.151 1.675 50 5 EDBARN NC(=O)NC[C@H]1CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000047401105 295084445 /nfs/dbraw/zinc/08/44/45/295084445.db2.gz ZPGBNUNLXXXMHP-QDZRJHCZSA-N 0 0 332.360 1.515 50 5 EDBARN NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000000379815 440818270 /nfs/dbraw/zinc/81/82/70/440818270.db2.gz 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339.304 1.863 50 5 EDBARN Nc1ncccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000025608244 441351887 /nfs/dbraw/zinc/35/18/87/441351887.db2.gz FYWVWMKRVIWLEC-UHFFFAOYSA-N 0 0 331.284 1.796 50 5 EDBARN COc1ccc(OC)c2c1CN(c1ncc([N+](=O)[O-])c(N)n1)C[C@H]2O ZINC000065412784 441429630 /nfs/dbraw/zinc/42/96/30/441429630.db2.gz DOUUDCBSYKAVGB-SNVBAGLBSA-N 0 0 347.331 1.038 50 5 EDBARN O=C1CCCCCN1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000069662759 442006560 /nfs/dbraw/zinc/00/65/60/442006560.db2.gz KPMWSYCJWFEVRW-UHFFFAOYSA-N 0 0 341.389 1.276 50 5 EDBARN COCC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000096446505 442133986 /nfs/dbraw/zinc/13/39/86/442133986.db2.gz WJPSUWWTDZIWOZ-UHFFFAOYSA-N 0 0 327.768 1.852 50 5 EDBARN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1Cc2ccccc21 ZINC000096501027 442144927 /nfs/dbraw/zinc/14/49/27/442144927.db2.gz SZEZZNHDYUNGIA-LLVKDONJSA-N 0 0 333.369 1.994 50 5 EDBARN CCc1cnccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000097034960 442158118 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COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@@H]1CCS(=O)(=O)C1 ZINC000011027298 211201053 /nfs/dbraw/zinc/20/10/53/211201053.db2.gz RYXGXJRMWXNCEG-MRVPVSSYSA-N 0 0 345.402 1.077 50 5 EDBARN NC(CN1CCOCC1)=NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000408518328 250300545 /nfs/dbraw/zinc/30/05/45/250300545.db2.gz ASTYIMXXYSRINW-UHFFFAOYSA-N 0 0 330.291 1.204 50 5 EDBARN [NH3+][C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000095432047 218374471 /nfs/dbraw/zinc/37/44/71/218374471.db2.gz KGNFWGIERDMBFO-LBPRGKRZSA-N 0 0 339.348 1.712 50 5 EDBARN CC(C)[C@@H](NCc1c(F)cccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000095985496 218491940 /nfs/dbraw/zinc/49/19/40/218491940.db2.gz HPJWRZFJHSIDGJ-OAHLLOKOSA-N 0 0 339.367 1.707 50 5 EDBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000005041735 210371571 /nfs/dbraw/zinc/37/15/71/210371571.db2.gz OHVKEARREQXGNE-CQSZACIVSA-N 0 0 348.359 1.450 50 5 EDBARN Cc1cc(NC(=O)N2CCN(c3cnn(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000097163038 218978835 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341.323 1.195 50 5 EDBARN Cc1cnc(N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)c([N+](=O)[O-])c1 ZINC000078663001 302345510 /nfs/dbraw/zinc/34/55/10/302345510.db2.gz STPVGHXFTKIMTH-SECBINFHSA-N 0 0 332.282 1.898 50 5 EDBARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1OC ZINC000000042032 440795813 /nfs/dbraw/zinc/79/58/13/440795813.db2.gz ZCGLGAOBEHCNKZ-ZDUSSCGKSA-N 0 0 335.316 1.794 50 5 EDBARN CCOC(=O)CS(=O)(=O)c1ccc(C(=O)OCC)cc1[N+](=O)[O-] ZINC000000259360 440811191 /nfs/dbraw/zinc/81/11/91/440811191.db2.gz XOZKDXHRNFBQIM-UHFFFAOYSA-N 0 0 345.329 1.108 50 5 EDBARN CCOc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC ZINC000000458154 440823294 /nfs/dbraw/zinc/82/32/94/440823294.db2.gz PEGYMMDWYIZIBN-ZDUSSCGKSA-N 0 0 335.316 1.794 50 5 EDBARN Nc1nc(N2CCOCC2)nc(Nc2cccc(F)c2)c1[N+](=O)[O-] ZINC000004306365 440916306 /nfs/dbraw/zinc/91/63/06/440916306.db2.gz DBMBREWDLOZFFG-UHFFFAOYSA-N 0 0 334.311 1.686 50 5 EDBARN CCn1ncc(NC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)c1C ZINC000002730639 440873580 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/nfs/dbraw/zinc/39/27/86/280392786.db2.gz WMXQILDJMGAOLC-UHFFFAOYSA-N 0 0 348.336 1.977 50 5 EDBARN Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3ccccc3O)CC2)n1 ZINC000269026490 281011785 /nfs/dbraw/zinc/01/17/85/281011785.db2.gz QUPQORFCQNYPQK-UHFFFAOYSA-N 0 0 342.355 1.966 50 5 EDBARN Cn1cc(/C=C\c2ccc3cc([N+](=O)[O-])ccc3n2)c(=O)n(C)c1=O ZINC000545317530 306084135 /nfs/dbraw/zinc/08/41/35/306084135.db2.gz UKVNZLBDYKTWCN-XQRVVYSFSA-N 0 0 338.323 1.711 50 5 EDBARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(Br)cn1 ZINC000000033027 440794174 /nfs/dbraw/zinc/79/41/74/440794174.db2.gz IFORCHUKESXKKP-UHFFFAOYSA-N 0 0 340.137 1.896 50 5 EDBARN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ncc(Br)s2)n1 ZINC000002767862 440875308 /nfs/dbraw/zinc/87/53/08/440875308.db2.gz IAKXFJSRNRENDF-UHFFFAOYSA-N 0 0 332.139 1.800 50 5 EDBARN Cc1c(Cl)c(-c2nnc(CCn3cc([N+](=O)[O-])cn3)o2)nn1C ZINC000002790148 440876738 /nfs/dbraw/zinc/87/67/38/440876738.db2.gz NXFNBZHRRKKISC-UHFFFAOYSA-N 0 0 337.727 1.779 50 5 EDBARN CN(C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000005834182 440972047 /nfs/dbraw/zinc/97/20/47/440972047.db2.gz OWYJAHQHMYCNKT-UHFFFAOYSA-N 0 0 329.312 1.997 50 5 EDBARN CCCNC(=O)CN(CCC)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000044979312 440935130 /nfs/dbraw/zinc/93/51/30/440935130.db2.gz QZZDSGSBSQDOBR-UHFFFAOYSA-N 0 0 337.376 1.738 50 5 EDBARN C[C@@H]1CN(C(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000071186106 441142096 /nfs/dbraw/zinc/14/20/96/441142096.db2.gz WPAJMPLJBVYZEH-LLVKDONJSA-N 0 0 331.332 1.101 50 5 EDBARN Cc1cc([N+](=O)[O-])cnc1N1CCN([C@@H](C)C(=O)NC(C)C)CC1 ZINC000071888384 441185369 /nfs/dbraw/zinc/18/53/69/441185369.db2.gz YPCJYLGNUPKDNH-ZDUSSCGKSA-N 0 0 335.408 1.333 50 5 EDBARN Cc1cccc(NCCNC(=O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000071914197 441195689 /nfs/dbraw/zinc/19/56/89/441195689.db2.gz MEUCMYPFULPYJW-UHFFFAOYSA-N 0 0 330.344 1.905 50 5 EDBARN O=c1c2ccccc2oc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000015084191 441195964 /nfs/dbraw/zinc/19/59/64/441195964.db2.gz OQARIFHJMVRBNC-UHFFFAOYSA-N 0 0 345.376 1.967 50 5 EDBARN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC000072277545 441217583 /nfs/dbraw/zinc/21/75/83/441217583.db2.gz YICVOYXDONMLFD-UHFFFAOYSA-N 0 0 340.295 1.685 50 5 EDBARN O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000059741992 441229579 /nfs/dbraw/zinc/22/95/79/441229579.db2.gz VKGXIKOKSIYJMI-UHFFFAOYSA-N 0 0 342.290 1.891 50 5 EDBARN COc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000019994415 441262306 /nfs/dbraw/zinc/26/23/06/441262306.db2.gz GUTYRDOKHLEBMS-UHFFFAOYSA-N 0 0 342.355 1.961 50 5 EDBARN Cc1ccc(S(=O)(=O)NCCNc2ncccc2[N+](=O)[O-])cc1 ZINC000024215379 441305979 /nfs/dbraw/zinc/30/59/79/441305979.db2.gz HCJYXFCMQXQIAT-UHFFFAOYSA-N 0 0 336.373 1.689 50 5 EDBARN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](OCCO)C1 ZINC000106801049 441373137 /nfs/dbraw/zinc/37/31/37/441373137.db2.gz IJTZXZUOUBDLOU-IUODEOHRSA-N 0 0 337.376 1.395 50 5 EDBARN CC(C)c1nc(S(=O)(=O)NCCc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000075091943 441492251 /nfs/dbraw/zinc/49/22/51/441492251.db2.gz ZKJLOPAOKPKNSB-UHFFFAOYSA-N 0 0 338.389 1.962 50 5 EDBARN Nn1c(SCCn2ccc([N+](=O)[O-])n2)nnc1-c1cccs1 ZINC000075093558 441493101 /nfs/dbraw/zinc/49/31/01/441493101.db2.gz SMWMJWWNNBZLSL-UHFFFAOYSA-N 0 0 337.390 1.617 50 5 EDBARN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCc2sccc2C1 ZINC000032429618 441556321 /nfs/dbraw/zinc/55/63/21/441556321.db2.gz ARPSWNAUOOBCNU-LLVKDONJSA-N 0 0 349.416 1.416 50 5 EDBARN CN(CC(=O)N[C@@H]1CCCc2c1cnn2C)c1ccccc1[N+](=O)[O-] ZINC000076065499 441592698 /nfs/dbraw/zinc/59/26/98/441592698.db2.gz FCYJUZYBRABRGW-CYBMUJFWSA-N 0 0 343.387 1.958 50 5 EDBARN CCOC(=O)[C@@H]1C[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)N2CCC[C@H]12 ZINC000036044334 441605236 /nfs/dbraw/zinc/60/52/36/441605236.db2.gz NHOQVTSGODSKOH-JDSLSITLSA-N 0 0 345.355 1.790 50 5 EDBARN O=[N+]([O-])c1cc(Br)cnc1NCc1nnnn1C1CC1 ZINC000095966499 441963667 /nfs/dbraw/zinc/96/36/67/441963667.db2.gz RJNQMIXZRXIVFP-UHFFFAOYSA-N 0 0 340.141 1.686 50 5 EDBARN CS(=O)(=O)NC[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000069738012 442024569 /nfs/dbraw/zinc/02/45/69/442024569.db2.gz IUJKLCWBVBORMB-LLVKDONJSA-N 0 0 345.396 1.495 50 5 EDBARN Cc1ccccc1C1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000069776102 442038177 /nfs/dbraw/zinc/03/81/77/442038177.db2.gz SPGFZDQVVQUKCH-UHFFFAOYSA-N 0 0 341.367 1.913 50 5 EDBARN Cc1n[nH]c(C(=O)NC[C@@H](O)c2ccc(Cl)s2)c1[N+](=O)[O-] ZINC000096441173 442132164 /nfs/dbraw/zinc/13/21/64/442132164.db2.gz RNKPWXJYDINMAV-ZCFIWIBFSA-N 0 0 330.753 1.805 50 5 EDBARN Cc1cccc(N2CCN(CCn3cc([N+](=O)[O-])cn3)[C@H](C)C2)n1 ZINC000096445730 442134359 /nfs/dbraw/zinc/13/43/59/442134359.db2.gz YMZMJGKWIDZUEN-CQSZACIVSA-N 0 0 330.392 1.705 50 5 EDBARN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC(=O)N(CC(F)(F)F)C1 ZINC000390834196 447501337 /nfs/dbraw/zinc/50/13/37/447501337.db2.gz ULIOUCKCGJIJJB-UHFFFAOYSA-N 0 0 335.213 1.538 50 5 EDBARN CCOc1cccc(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)n1 ZINC000584907927 448672641 /nfs/dbraw/zinc/67/26/41/448672641.db2.gz OJPDAUOWOAWWEO-UHFFFAOYSA-N 0 0 331.332 1.537 50 5 EDBARN CC(C)(C)NC(=O)NC(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263782404 534710633 /nfs/dbraw/zinc/71/06/33/534710633.db2.gz OFXVNFGKHABJMJ-UHFFFAOYSA-N 0 0 346.347 1.478 50 5 EDBARN CC[C@H](C)OC(=O)C=S([O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001796124 564087696 /nfs/dbraw/zinc/08/76/96/564087696.db2.gz KMCXWXKQZONUNU-QSIZCVBASA-N 0 0 330.318 1.952 50 5 EDBARN COc1nscc1CN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000952995560 708049188 /nfs/dbraw/zinc/04/91/88/708049188.db2.gz QBEYGCFKYOMGPP-UHFFFAOYSA-N 0 0 343.386 1.881 50 5 EDBARN COC(=O)CCCN(C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000056010977 214352974 /nfs/dbraw/zinc/35/29/74/214352974.db2.gz RWMGCHLMVJDFAF-UHFFFAOYSA-N 0 0 330.362 1.477 50 5 EDBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(C2=COCCO2)o1 ZINC000004107203 210122232 /nfs/dbraw/zinc/12/22/32/210122232.db2.gz NRFNFQOXHGNRIE-ZZXKWVIFSA-N 0 0 344.283 1.975 50 5 EDBARN O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2nnnc2-c2ccccn2)c1 ZINC000066738487 215073932 /nfs/dbraw/zinc/07/39/32/215073932.db2.gz JFJBPSQJZLUCGC-LBPRGKRZSA-N 0 0 342.315 1.083 50 5 EDBARN NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067990602 215267993 /nfs/dbraw/zinc/26/79/93/215267993.db2.gz KZJVEEVWVMGTJQ-CYBMUJFWSA-N 0 0 349.293 1.699 50 5 EDBARN N=c1c(C(N)=O)cc2c(nc3ccccn3c2=O)n1Cc1ccccc1 ZINC000100398361 283272994 /nfs/dbraw/zinc/27/29/94/283272994.db2.gz IZMBZGJPJJNMPS-UHFFFAOYSA-N 0 0 345.362 1.276 50 5 EDBARN CC(=O)N1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000036380488 213092029 /nfs/dbraw/zinc/09/20/29/213092029.db2.gz CCAKDKUTRXIZND-UHFFFAOYSA-N 0 0 340.767 1.351 50 5 EDBARN CC(=O)c1cc(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])n(C)c1 ZINC000017274157 211961328 /nfs/dbraw/zinc/96/13/28/211961328.db2.gz UKLGWEKFJMSGNF-UHFFFAOYSA-N 0 0 345.311 1.592 50 5 EDBARN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C(=O)N1CCOCC1 ZINC000079001303 217170796 /nfs/dbraw/zinc/17/07/96/217170796.db2.gz LCBDLHPZMFVBOX-OAHLLOKOSA-N 0 0 347.371 1.367 50 5 EDBARN O=C(OC[C@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000012174214 211311329 /nfs/dbraw/zinc/31/13/29/211311329.db2.gz CTDJVXKTFRESFV-MRVPVSSYSA-N 0 0 344.301 1.095 50 5 EDBARN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000010330866 211165865 /nfs/dbraw/zinc/16/58/65/211165865.db2.gz MFUUALNDLFHCNX-CYBMUJFWSA-N 0 0 346.343 1.545 50 5 EDBARN Cc1cc(C(=O)NCCCNC(=O)c2cnccn2)ccc1[N+](=O)[O-] ZINC000009355894 211073566 /nfs/dbraw/zinc/07/35/66/211073566.db2.gz YTXOBFGCKPKWTN-UHFFFAOYSA-N 0 0 343.343 1.243 50 5 EDBARN NC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000095410645 218347102 /nfs/dbraw/zinc/34/71/02/218347102.db2.gz XDWCRTSAYMHHCT-SECBINFHSA-N 0 0 346.309 1.990 50 5 EDBARN Cc1cccc(C(=O)NCCC(=O)NCc2ccccn2)c1[N+](=O)[O-] ZINC000096012231 218513516 /nfs/dbraw/zinc/51/35/16/218513516.db2.gz CTQOYVGZEOAULO-UHFFFAOYSA-N 0 0 342.355 1.735 50 5 EDBARN O=C1NC(=S)NC(=O)C12Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]12 ZINC000018114034 296359517 /nfs/dbraw/zinc/35/95/17/296359517.db2.gz XLKHPKJCXDAOEW-NSHDSACASA-N 0 0 346.368 1.477 50 5 EDBARN Cn1c2ccccc2c(N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1=O ZINC000005519792 210479988 /nfs/dbraw/zinc/47/99/88/210479988.db2.gz YXZOQLKMROHLQR-SECBINFHSA-N 0 0 337.357 1.046 50 5 EDBARN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000004997958 210354746 /nfs/dbraw/zinc/35/47/46/210354746.db2.gz PGGLVFRPZAGPFU-UHFFFAOYSA-N 0 0 345.340 1.890 50 5 EDBARN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)OCCn1cccn1 ZINC000097241042 219003945 /nfs/dbraw/zinc/00/39/45/219003945.db2.gz DXLPPRVKMMBEMB-IHWYPQMZSA-N 0 0 345.311 1.914 50 5 EDBARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ncc([N+](=O)[O-])s1 ZINC000004815819 210286173 /nfs/dbraw/zinc/28/61/73/210286173.db2.gz YWGCODBJPUZBRI-UHFFFAOYSA-N 0 0 341.370 1.854 50 5 EDBARN CN(C)c1nccc(N2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)n1 ZINC000408515944 257982119 /nfs/dbraw/zinc/98/21/19/257982119.db2.gz BONUORUBSQLWJN-UHFFFAOYSA-N 0 0 343.391 1.360 50 5 EDBARN COC(=O)[C@H](C)CS(=O)(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000268371856 257997103 /nfs/dbraw/zinc/99/71/03/257997103.db2.gz YWMRBPISPOBEGB-SECBINFHSA-N 0 0 328.346 1.096 50 5 EDBARN C[N@H+](Cc1ccccc1)C1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000288357719 258012409 /nfs/dbraw/zinc/01/24/09/258012409.db2.gz KMJLPDXOAIJJQH-UHFFFAOYSA-N 0 0 329.360 1.134 50 5 EDBARN C[C@H](C(=O)N1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000057312709 289264215 /nfs/dbraw/zinc/26/42/15/289264215.db2.gz WXAMAJYNQFWKTN-CQSZACIVSA-N 0 0 332.404 1.728 50 5 EDBARN COC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(C(C)C)c1=N ZINC000102621981 277153378 /nfs/dbraw/zinc/15/33/78/277153378.db2.gz BNEIXDYHQFAYQA-UHFFFAOYSA-N 0 0 326.356 1.805 50 5 EDBARN O=C(N[C@H]1CCC(=O)NC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000070014064 279948235 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O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000058357047 441185753 /nfs/dbraw/zinc/18/57/53/441185753.db2.gz KLAJQUAOGBACOJ-OLZOCXBDSA-N 0 0 348.355 1.245 50 5 EDBARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018244153 441250677 /nfs/dbraw/zinc/25/06/77/441250677.db2.gz SJHTYGZYBJJZFW-KBPBESRZSA-N 0 0 343.339 1.875 50 5 EDBARN O=C(CCN1CCN(C(=O)C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000024595870 441314735 /nfs/dbraw/zinc/31/47/35/441314735.db2.gz JBZWUQDOKBMHFX-UHFFFAOYSA-N 0 0 346.387 1.478 50 5 EDBARN COC(=O)C(C)(C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065412445 441429695 /nfs/dbraw/zinc/42/96/95/441429695.db2.gz WWXMSCHPGGIVFM-UHFFFAOYSA-N 0 0 332.316 1.462 50 5 EDBARN CS(=O)(=O)c1cc(C(=O)NC(C2CC2)C2CC2)cc([N+](=O)[O-])c1 ZINC000065536564 441454600 /nfs/dbraw/zinc/45/46/00/441454600.db2.gz LJZFPUQMTWGKLT-UHFFFAOYSA-N 0 0 338.385 1.917 50 5 EDBARN Nc1nc(Cn2cnc([N+](=O)[O-])n2)nc2sc3c(c21)CCCC3 ZINC000053835872 441544665 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COCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002059129 209815995 /nfs/dbraw/zinc/81/59/95/209815995.db2.gz NFVFZWCRIORGTI-CQSZACIVSA-N 0 0 349.343 1.755 50 5 EDBARN CCOC(=O)CN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000040154924 213274392 /nfs/dbraw/zinc/27/43/92/213274392.db2.gz ONXPRJLMHIEGAH-UHFFFAOYSA-N 0 0 344.389 1.865 50 5 EDBARN O=c1c2cc3c(ccn(Cc4ccccn4)c3=O)nc2ccn1CCO ZINC000036125593 213071909 /nfs/dbraw/zinc/07/19/09/213071909.db2.gz PAECIQKYLMKWAG-UHFFFAOYSA-N 0 0 348.362 1.147 50 5 EDBARN COC(=O)c1cc([N+](=O)[O-])cn(Cc2nc(-c3ccoc3)no2)c1=O ZINC000071858601 215889082 /nfs/dbraw/zinc/88/90/82/215889082.db2.gz YXLNEQIBAYXSAX-UHFFFAOYSA-N 0 0 346.255 1.234 50 5 EDBARN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCc1cccnc1 ZINC000071888456 215925777 /nfs/dbraw/zinc/92/57/77/215925777.db2.gz SHCVVCFJXQKEGH-UHFFFAOYSA-N 0 0 348.746 1.689 50 5 EDBARN COC(=O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000071914021 215959158 /nfs/dbraw/zinc/95/91/58/215959158.db2.gz PRDCTUAMZVLATB-LLVKDONJSA-N 0 0 330.362 1.461 50 5 EDBARN O=C(Nc1nc[nH]n1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000072277893 216105253 /nfs/dbraw/zinc/10/52/53/216105253.db2.gz CRNAKOPZOPLBDT-SSDOTTSWSA-N 0 0 336.333 1.018 50 5 EDBARN CCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000065631 209397243 /nfs/dbraw/zinc/39/72/43/209397243.db2.gz BQGCEQCETBHXOH-GFCCVEGCSA-N 0 0 330.304 1.433 50 5 EDBARN COc1cccc2c1N(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000072560913 216274124 /nfs/dbraw/zinc/27/41/24/216274124.db2.gz WITBKSQEORUCFV-AWEZNQCLSA-N 0 0 332.360 1.614 50 5 EDBARN COc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000023400599 212376217 /nfs/dbraw/zinc/37/62/17/212376217.db2.gz LJGRVZHTCKWBFT-UHFFFAOYSA-N 0 0 340.361 1.158 50 5 EDBARN CC[C@H](C)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000022414848 212295697 /nfs/dbraw/zinc/29/56/97/212295697.db2.gz OHODYJLFOLQQDS-JTQLQIEISA-N 0 0 343.405 1.573 50 5 EDBARN Cc1cc(C)n2ncc(-c3noc(Cn4ccc([N+](=O)[O-])n4)n3)c2n1 ZINC000089595918 217815443 /nfs/dbraw/zinc/81/54/43/217815443.db2.gz MGIVVPZXYGUDAX-UHFFFAOYSA-N 0 0 340.303 1.549 50 5 EDBARN CC[C@H](CO)Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000012521898 211397854 /nfs/dbraw/zinc/39/78/54/211397854.db2.gz UFIXRJDFWLJOQN-SNVBAGLBSA-N 0 0 331.394 1.464 50 5 EDBARN COCCCn1c(=O)[nH]c2nc3cc(N(C)C)ccc3nc2c1=O ZINC000008991854 211027788 /nfs/dbraw/zinc/02/77/88/211027788.db2.gz KJMZMAVTOYFPDM-UHFFFAOYSA-N 0 0 329.360 1.148 50 5 EDBARN CN(CC(C)(C)CCO)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000095453331 218397253 /nfs/dbraw/zinc/39/72/53/218397253.db2.gz GXRINDPCFYNRSX-UHFFFAOYSA-N 0 0 330.406 1.843 50 5 EDBARN COc1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000006252264 210607257 /nfs/dbraw/zinc/60/72/57/210607257.db2.gz CIUSMZUNFWTIEE-UHFFFAOYSA-N 0 0 344.327 1.757 50 5 EDBARN CC(C)OC[C@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000096485190 218861228 /nfs/dbraw/zinc/86/12/28/218861228.db2.gz ZDJSMYPIGXNWCT-SECBINFHSA-N 0 0 335.154 1.305 50 5 EDBARN COc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc(OC)c1OC ZINC000004869796 210308661 /nfs/dbraw/zinc/30/86/61/210308661.db2.gz GZEAFJYFXFAOHT-UHFFFAOYSA-N 0 0 336.304 1.456 50 5 EDBARN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCO[C@H]2CCC[C@H]21 ZINC000280709050 257937908 /nfs/dbraw/zinc/93/79/08/257937908.db2.gz HIYXELJMVQTAEX-KGLIPLIRSA-N 0 0 345.359 1.934 50 5 EDBARN O=C(Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1)NC[C@@H]1CCCO1 ZINC000521394965 257947568 /nfs/dbraw/zinc/94/75/68/257947568.db2.gz IHLUBCKOBUIRSQ-NSHDSACASA-N 0 0 349.322 1.288 50 5 EDBARN CCOC(=O)c1c2ccc([N+](=O)[O-])cc2c(=O)[nH]c1N1CCOCC1 ZINC000012410660 135694773 /nfs/dbraw/zinc/69/47/73/135694773.db2.gz UMYUQDRNKIEQSL-UHFFFAOYSA-N 0 0 347.327 1.450 50 5 EDBARN Nc1nc(N2CCc3c(cnn3-c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000065403152 274966175 /nfs/dbraw/zinc/96/61/75/274966175.db2.gz QIOAXQWRAXCWFM-UHFFFAOYSA-N 0 0 337.343 1.715 50 5 EDBARN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1nccs1 ZINC000010029929 279762902 /nfs/dbraw/zinc/76/29/02/279762902.db2.gz HVDLNTHIQXHMDP-UHFFFAOYSA-N 0 0 334.313 1.415 50 5 EDBARN Cc1nn(CCCC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1[N+](=O)[O-] ZINC000001429824 440846812 /nfs/dbraw/zinc/84/68/12/440846812.db2.gz ORWOXFXMKNIHEN-UHFFFAOYSA-N 0 0 345.359 1.926 50 5 EDBARN O=C(c1ccco1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000441175 440823138 /nfs/dbraw/zinc/82/31/38/440823138.db2.gz KWNSGORLQHWOJE-UHFFFAOYSA-N 0 0 329.312 1.786 50 5 EDBARN CCn1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cn1 ZINC000002767156 440875049 /nfs/dbraw/zinc/87/50/49/440875049.db2.gz JMEGYQFHOWRXCK-UHFFFAOYSA-N 0 0 333.304 1.958 50 5 EDBARN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NCCCn1ccnc1 ZINC000002916730 440882326 /nfs/dbraw/zinc/88/23/26/440882326.db2.gz MJCUDDDQXYQHAH-UHFFFAOYSA-N 0 0 326.744 1.156 50 5 EDBARN COC(=O)CSC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000005719879 440966722 /nfs/dbraw/zinc/96/67/22/440966722.db2.gz UDARFYUYCURRCI-GFCCVEGCSA-N 0 0 340.357 1.822 50 5 EDBARN C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCCCC3)n2)C[C@H](C)O1 ZINC000005030588 440935963 /nfs/dbraw/zinc/93/59/63/440935963.db2.gz GFKCJVRFUJYSEB-QWRGUYRKSA-N 0 0 336.396 1.571 50 5 EDBARN Cc1cc([N+](=O)[O-])nn1[C@@H](C)C(=O)N1NC=C[C@@]1(O)C(F)(F)F ZINC000006922281 441024758 /nfs/dbraw/zinc/02/47/58/441024758.db2.gz CAZZBYJOQWKBQC-OIBJUYFYSA-N 0 0 335.242 1.130 50 5 EDBARN O=C1OCCN1c1nnc(Sc2ccc([N+](=O)[O-])cn2)s1 ZINC000008716950 441098707 /nfs/dbraw/zinc/09/87/07/441098707.db2.gz KWDFRMYDEZPULC-UHFFFAOYSA-N 0 0 325.331 1.949 50 5 EDBARN C[C@H]1CN(C(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)CCO1 ZINC000008726289 441099079 /nfs/dbraw/zinc/09/90/79/441099079.db2.gz ZJKZVIWMXQOOPK-ZDUSSCGKSA-N 0 0 348.403 1.208 50 5 EDBARN NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007986507 441077421 /nfs/dbraw/zinc/07/74/21/441077421.db2.gz APOKHAFEIFCRIT-UHFFFAOYSA-N 0 0 349.324 1.551 50 5 EDBARN CN(Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000071900378 441190021 /nfs/dbraw/zinc/19/00/21/441190021.db2.gz LQGMVNNWSDBQEI-CQSZACIVSA-N 0 0 333.323 1.625 50 5 EDBARN O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000071857401 441170719 /nfs/dbraw/zinc/17/07/19/441170719.db2.gz KVLSPXGZTGDBSA-UHFFFAOYSA-N 0 0 342.290 1.891 50 5 EDBARN CNC(=O)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000071889192 441186706 /nfs/dbraw/zinc/18/67/06/441186706.db2.gz BSUOYTPAMXFFEN-UHFFFAOYSA-N 0 0 339.149 1.962 50 5 EDBARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000012933685 441149228 /nfs/dbraw/zinc/14/92/28/441149228.db2.gz YULJYPHDWQHCEH-JTQLQIEISA-N 0 0 336.373 1.835 50 5 EDBARN O=C([C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000066893777 441580620 /nfs/dbraw/zinc/58/06/20/441580620.db2.gz GNQNTBSESZUMOP-INIZCTEOSA-N 0 0 333.388 1.808 50 5 EDBARN Cc1nn(C)c(C(=O)NCc2ccccc2-n2ccnc2)c1[N+](=O)[O-] ZINC000091212396 441676268 /nfs/dbraw/zinc/67/62/68/441676268.db2.gz PGYOKEVNQOZJGK-UHFFFAOYSA-N 0 0 340.343 1.752 50 5 EDBARN O=[N+]([O-])c1c(N2CCC[C@H]2CN2CCOCC2)nc2sccn21 ZINC000160408537 441879462 /nfs/dbraw/zinc/87/94/62/441879462.db2.gz FXFIWPZOOHSXSK-NSHDSACASA-N 0 0 337.405 1.605 50 5 EDBARN C[C@H](O)CN1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000069587193 441982056 /nfs/dbraw/zinc/98/20/56/441982056.db2.gz QVNSMIJRYQPSOP-JTQLQIEISA-N 0 0 344.209 1.860 50 5 EDBARN O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](OCc4ccncc4)C3)nn21 ZINC000192905194 442696932 /nfs/dbraw/zinc/69/69/32/442696932.db2.gz UUROHEICKLWJBV-CYBMUJFWSA-N 0 0 340.343 1.828 50 5 EDBARN O=C(NOCC(F)(F)F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000084490336 486264281 /nfs/dbraw/zinc/26/42/81/486264281.db2.gz JNMWPZRMQQQLQD-UHFFFAOYSA-N 0 0 331.206 1.660 50 5 EDBARN Cn1cc(C[C@H]2CC(=O)N(Cc3c(F)cccc3[N+](=O)[O-])C2=O)cn1 ZINC000101404004 219125757 /nfs/dbraw/zinc/12/57/57/219125757.db2.gz GQAFYDCXZQOHPZ-NSHDSACASA-N 0 0 346.318 1.585 50 5 EDBARN O=C(Cn1ccc([N+](=O)[O-])n1)NCCNc1ncnc2sccc21 ZINC000048308918 213917934 /nfs/dbraw/zinc/91/79/34/213917934.db2.gz QEWWYJLVUOWUMI-UHFFFAOYSA-N 0 0 347.360 1.024 50 5 EDBARN CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000003899923 210087761 /nfs/dbraw/zinc/08/77/61/210087761.db2.gz RBCGSHMMUJHSSO-AWEZNQCLSA-N 0 0 349.343 1.802 50 5 EDBARN O=C(Cn1nnc2ccccc2c1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003618114 210067806 /nfs/dbraw/zinc/06/78/06/210067806.db2.gz QWSNEQKGLGUGTC-UHFFFAOYSA-N 0 0 325.284 1.338 50 5 EDBARN NC(=O)c1ccc(CN2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000032850921 212856146 /nfs/dbraw/zinc/85/61/46/212856146.db2.gz XCAYEXNFBQWYSN-UHFFFAOYSA-N 0 0 341.371 1.411 50 5 EDBARN Cc1noc(C)c1CC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000024267094 212415911 /nfs/dbraw/zinc/41/59/11/212415911.db2.gz LFVUGEZYSDYPJC-UHFFFAOYSA-N 0 0 333.300 1.924 50 5 EDBARN Cc1cc(N2CCN(c3ccc(C(N)=O)cc3)CC2)ncc1[N+](=O)[O-] ZINC000074764350 216516636 /nfs/dbraw/zinc/51/66/36/216516636.db2.gz PLXSRLKNDZBNDH-UHFFFAOYSA-N 0 0 341.371 1.724 50 5 EDBARN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC000195577190 241025651 /nfs/dbraw/zinc/02/56/51/241025651.db2.gz DFITULAZJQHQAK-LBPRGKRZSA-N 0 0 339.417 1.983 50 5 EDBARN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](OCCO)C1 ZINC000229590186 242182973 /nfs/dbraw/zinc/18/29/73/242182973.db2.gz IJTZXZUOUBDLOU-SWLSCSKDSA-N 0 0 337.376 1.395 50 5 EDBARN CN(C)S(=O)(=O)c1cccc(Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000076092681 216711300 /nfs/dbraw/zinc/71/13/00/216711300.db2.gz GCAMKNYIMLIFDJ-UHFFFAOYSA-N 0 0 337.357 1.055 50 5 EDBARN O=C(NCCCN1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000019850968 212076558 /nfs/dbraw/zinc/07/65/58/212076558.db2.gz AAZQIRSLSBHXGV-UHFFFAOYSA-N 0 0 327.768 1.700 50 5 EDBARN CC(C)[C@@H](C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000079039650 217179468 /nfs/dbraw/zinc/17/94/68/217179468.db2.gz DBZUTPKGAKKSMR-LLVKDONJSA-N 0 0 343.405 1.281 50 5 EDBARN NS(=O)(=O)c1cc(NC[C@@H]2Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC000091454840 218008869 /nfs/dbraw/zinc/00/88/69/218008869.db2.gz XFSPWHGIOBJXMC-NSHDSACASA-N 0 0 333.369 1.994 50 5 EDBARN COc1ccc(CN(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000010452452 211173773 /nfs/dbraw/zinc/17/37/73/211173773.db2.gz NXDPQYLGKNZRTC-UHFFFAOYSA-N 0 0 331.328 1.424 50 5 EDBARN CN(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000010334649 211165304 /nfs/dbraw/zinc/16/53/04/211165304.db2.gz RPNKATPWYCLGOJ-CYBMUJFWSA-N 0 0 339.373 1.769 50 5 EDBARN O=C(NCCc1nnc[nH]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000096449789 218832013 /nfs/dbraw/zinc/83/20/13/218832013.db2.gz JKWGRGSTUYKUTL-UHFFFAOYSA-N 0 0 329.238 1.704 50 5 EDBARN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1COc2ccccc2O1 ZINC000004960543 210340633 /nfs/dbraw/zinc/34/06/33/210340633.db2.gz JYGQTJRGZRZYDB-AWEZNQCLSA-N 0 0 344.323 1.930 50 5 EDBARN O=[N+]([O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1N1CCOCC1 ZINC000269361526 285126240 /nfs/dbraw/zinc/12/62/40/285126240.db2.gz PMTSFBRNERZECU-UHFFFAOYSA-N 0 0 338.320 1.176 50 5 EDBARN CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000034787 208552930 /nfs/dbraw/zinc/55/29/30/208552930.db2.gz GLTFUBNYJSFLRU-AWEZNQCLSA-N 0 0 349.343 1.491 50 5 EDBARN CCN1c2ccc([N+](=O)[O-])cc2[C@](O)(CC(=O)c2ccccn2)C1=O ZINC000004906413 210319738 /nfs/dbraw/zinc/31/97/38/210319738.db2.gz VDLMXEGBKHJLDV-QGZVFWFLSA-N 0 0 341.323 1.817 50 5 EDBARN CC[C@@H](CO)N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000072313526 258064842 /nfs/dbraw/zinc/06/48/42/258064842.db2.gz GXOBHTPXIYMWKB-ZDUSSCGKSA-N 0 0 336.392 1.824 50 5 EDBARN Cc1nn(CCN(Cc2ccccc2)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000170611132 226655269 /nfs/dbraw/zinc/65/52/69/226655269.db2.gz CISYGNVSLUNBSB-UHFFFAOYSA-N 0 0 338.389 1.562 50 5 EDBARN CCn1c2cc([N+](=O)[O-])c(NCCO)c([N+](=O)[O-])c2n(CC)c1=O ZINC000009235155 276711187 /nfs/dbraw/zinc/71/11/87/276711187.db2.gz JAFGWEFLIMNQHI-UHFFFAOYSA-N 0 0 339.308 1.063 50 5 EDBARN Nc1ncnc(N2CCN(c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000003912677 295374429 /nfs/dbraw/zinc/37/44/29/295374429.db2.gz QGXUMVMOBYGHJB-UHFFFAOYSA-N 0 0 334.767 1.947 50 5 EDBARN C[C@H](C(=O)NCCc1nc2ccccc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000001432092 440846246 /nfs/dbraw/zinc/84/62/46/440846246.db2.gz FWGCYFJQEQQTIX-SNVBAGLBSA-N 0 0 328.332 1.588 50 5 EDBARN COc1cccc([C@H]2c3c(cc(C)oc3=O)OC(N)=C2[N+](=O)[O-])c1 ZINC000000481912 440826436 /nfs/dbraw/zinc/82/64/36/440826436.db2.gz NXWLETLTSYTQRI-LBPRGKRZSA-N 0 0 330.296 1.886 50 5 EDBARN CSc1nnc(C)c(=O)n1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004495793 440919858 /nfs/dbraw/zinc/91/98/58/440919858.db2.gz TWJZMDQXLUOFIK-UHFFFAOYSA-N 0 0 336.329 1.391 50 5 EDBARN C[C@H](OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C(N)=O ZINC000005623730 440961557 /nfs/dbraw/zinc/96/15/57/440961557.db2.gz DVZIHWXLKMNHJR-QWRGUYRKSA-N 0 0 335.360 1.862 50 5 EDBARN O=C(NCc1ccccn1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000006923546 441024801 /nfs/dbraw/zinc/02/48/01/441024801.db2.gz UBKYZHQFRONLGP-UHFFFAOYSA-N 0 0 342.355 1.756 50 5 EDBARN CCC1=Nc2nnnn2[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC ZINC000045895978 441055902 /nfs/dbraw/zinc/05/59/02/441055902.db2.gz FDOOAZFQFXJOJA-LBPRGKRZSA-N 0 0 330.304 1.433 50 5 EDBARN O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)NC1CCCC1 ZINC000057323014 441109262 /nfs/dbraw/zinc/10/92/62/441109262.db2.gz OGEJYGKYMRXFQB-UHFFFAOYSA-N 0 0 332.404 1.776 50 5 EDBARN Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(=O)N2 ZINC000013726018 441166522 /nfs/dbraw/zinc/16/65/22/441166522.db2.gz ZUJNZSPZGDOEHL-NSHDSACASA-N 0 0 330.304 1.325 50 5 EDBARN COc1ccc([N+](=O)[O-])cc1OCc1nn2c(nc(C)cc2=O)s1 ZINC000012973221 441149764 /nfs/dbraw/zinc/14/97/64/441149764.db2.gz RCFMVCQESUBVPR-UHFFFAOYSA-N 0 0 348.340 1.955 50 5 EDBARN O=C(CC1CCCCC1)N1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000071792422 441154817 /nfs/dbraw/zinc/15/48/17/441154817.db2.gz YQNCSZJPDJPMSU-UHFFFAOYSA-N 0 0 335.408 1.863 50 5 EDBARN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000058424557 441193717 /nfs/dbraw/zinc/19/37/17/441193717.db2.gz CYIFFNTZSLRGTN-HIFRSBDPSA-N 0 0 336.392 1.447 50 5 EDBARN CNS(=O)(=O)c1ccc(N[C@H]2CCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000071920573 441197567 /nfs/dbraw/zinc/19/75/67/441197567.db2.gz IGPWUGZITUEPFW-JQWIXIFHSA-N 0 0 343.405 1.466 50 5 EDBARN CN(Cc1ccc2ccccc2c1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000048314014 441291504 /nfs/dbraw/zinc/29/15/04/441291504.db2.gz MGVTVZUTRHWPOW-UHFFFAOYSA-N 0 0 325.328 1.998 50 5 EDBARN C[C@H](NC(=O)c1ccco1)C(=O)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000025252648 441336701 /nfs/dbraw/zinc/33/67/01/441336701.db2.gz KOQRWYGZWWWQLM-NSHDSACASA-N 0 0 331.328 1.965 50 5 EDBARN O=C([C@H]1CCCO1)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051508001 441414019 /nfs/dbraw/zinc/41/40/19/441414019.db2.gz KFJRMIWYQKHXRC-MRXNPFEDSA-N 0 0 349.387 1.297 50 5 EDBARN CC(C)OC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO ZINC000028234284 441428982 /nfs/dbraw/zinc/42/89/82/441428982.db2.gz FGQVCGJRFWMOEU-UHFFFAOYSA-N 0 0 326.305 1.107 50 5 EDBARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1cnc([N+](=O)[O-])c1 ZINC000029211751 441452175 /nfs/dbraw/zinc/45/21/75/441452175.db2.gz KIBQITRENMKTFH-UHFFFAOYSA-N 0 0 348.359 1.857 50 5 EDBARN Cc1nnc(CN2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)[nH]1 ZINC000089497129 441557093 /nfs/dbraw/zinc/55/70/93/441557093.db2.gz RMEOAYMUPZEGMO-UHFFFAOYSA-N 0 0 334.355 1.478 50 5 EDBARN COc1ccc(S(=O)(=O)N(C)Cc2nccn2C)c([N+](=O)[O-])c1 ZINC000032895524 441576867 /nfs/dbraw/zinc/57/68/67/441576867.db2.gz MJRHNLQZPLPIMQ-UHFFFAOYSA-N 0 0 340.361 1.158 50 5 EDBARN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccon2)CC1 ZINC000076085850 441594850 /nfs/dbraw/zinc/59/48/50/441594850.db2.gz VNJSOSNLFIFIJK-UHFFFAOYSA-N 0 0 345.359 1.610 50 5 EDBARN NC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(F)cc2Cl)c1=O ZINC000042650156 441765062 /nfs/dbraw/zinc/76/50/62/441765062.db2.gz GYWLIJVGLDMYHJ-UHFFFAOYSA-N 0 0 325.683 1.696 50 5 EDBARN NC(=O)[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000095944645 441956376 /nfs/dbraw/zinc/95/63/76/441956376.db2.gz PEWWRNFZYLLAAS-CYBMUJFWSA-N 0 0 335.266 1.829 50 5 EDBARN C[S@@](=O)c1nncn1-c1ncc(Br)cc1[N+](=O)[O-] ZINC000096474578 442139635 /nfs/dbraw/zinc/13/96/35/442139635.db2.gz YXDOXNGLMUXAGK-SFHVURJKSA-N 0 0 332.139 1.070 50 5 EDBARN COC(=O)c1cc([N+](=O)[O-])c(C)cc1SCCS(C)(=O)=O ZINC000225540418 443110738 /nfs/dbraw/zinc/11/07/38/443110738.db2.gz MASPDUWRXNINJS-UHFFFAOYSA-N 0 0 333.387 1.827 50 5 EDBARN CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000585115730 448695545 /nfs/dbraw/zinc/69/55/45/448695545.db2.gz QBJGBRQEQMSBSX-YUMQZZPRSA-N 0 0 340.448 1.355 50 5 EDBARN Cc1cc(S(=O)(=O)N(C)c2ccn(C)n2)c(F)cc1[N+](=O)[O-] ZINC000585140070 448708839 /nfs/dbraw/zinc/70/88/39/448708839.db2.gz ZQEDHVOGVVUVBK-UHFFFAOYSA-N 0 0 328.325 1.601 50 5 EDBARN O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc(N2CCCCC2)nc1 ZINC000075527771 527396903 /nfs/dbraw/zinc/39/69/03/527396903.db2.gz SNLDTTAIRHLJHF-UHFFFAOYSA-N 0 0 330.348 1.815 50 5 EDBARN CCNC(=O)CN(CC)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000069351838 215387121 /nfs/dbraw/zinc/38/71/21/215387121.db2.gz GDXRUBVFAVWMEZ-UHFFFAOYSA-N 0 0 349.796 1.395 50 5 EDBARN Cn1ccc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000071888459 215925418 /nfs/dbraw/zinc/92/54/18/215925418.db2.gz WSFQQWSIFWWLCP-UHFFFAOYSA-N 0 0 337.723 1.350 50 5 EDBARN CCOC(=O)N1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000000067996 209398655 /nfs/dbraw/zinc/39/86/55/209398655.db2.gz NVYVKQLKJVVZNA-UHFFFAOYSA-N 0 0 337.332 1.518 50 5 EDBARN Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000191699076 239253607 /nfs/dbraw/zinc/25/36/07/239253607.db2.gz ZGATWWKVVAAMTF-GFCCVEGCSA-N 0 0 344.375 1.585 50 5 EDBARN CN(Cc1c(Cl)cnn1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000020602077 212151530 /nfs/dbraw/zinc/15/15/30/212151530.db2.gz KHNYADBTBZDXNM-UHFFFAOYSA-N 0 0 344.780 1.802 50 5 EDBARN COc1cc(S(=O)(=O)n2c(C)ncc2[N+](=O)[O-])ccc1Cl ZINC000019943344 212088164 /nfs/dbraw/zinc/08/81/64/212088164.db2.gz HUDJEWAFYYACKU-UHFFFAOYSA-N 0 0 331.737 1.999 50 5 EDBARN NC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000010255738 211156888 /nfs/dbraw/zinc/15/68/88/211156888.db2.gz NATJRJCMJHCSOS-HNNXBMFYSA-N 0 0 325.324 1.581 50 5 EDBARN COCCNC(=O)c1nn(C)c(Oc2ccccc2[N+](=O)[O-])c1C ZINC000096203709 218677647 /nfs/dbraw/zinc/67/76/47/218677647.db2.gz MXMXMIFUTPKVLC-UHFFFAOYSA-N 0 0 334.332 1.805 50 5 EDBARN O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004941521 210332911 /nfs/dbraw/zinc/33/29/11/210332911.db2.gz GYQSCWZYTMQHCT-ZDUSSCGKSA-N 0 0 349.343 1.335 50 5 EDBARN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc[nH]c1=O ZINC000097295189 219009924 /nfs/dbraw/zinc/00/99/24/219009924.db2.gz RQKBJHNMXFZDTE-ARJAWSKDSA-N 0 0 343.295 1.802 50 5 EDBARN Cc1nn(C)c(C(=O)N2NC(C)=C[C@@]2(O)C(F)(F)F)c1[N+](=O)[O-] ZINC000001019125 440838387 /nfs/dbraw/zinc/83/83/87/440838387.db2.gz JNJHOOJRSSNKRW-SNVBAGLBSA-N 0 0 335.242 1.109 50 5 EDBARN Cc1c(Cl)cnn1[C@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000000375140 440817985 /nfs/dbraw/zinc/81/79/85/440817985.db2.gz ABOAXJYNAYEQNH-SECBINFHSA-N 0 0 326.744 1.327 50 5 EDBARN COC(=O)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000044683212 440869475 /nfs/dbraw/zinc/86/94/75/440869475.db2.gz JDMCBLBBZWCULW-ZDUSSCGKSA-N 0 0 332.316 1.212 50 5 EDBARN Cc1nn([C@H](C)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000002782533 440877399 /nfs/dbraw/zinc/87/73/99/440877399.db2.gz KMHYRGSIRJFEAL-SECBINFHSA-N 0 0 326.744 1.327 50 5 EDBARN CC(=O)N[C@H](COC(C)=O)[C@@H](OC(C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000003120276 440889616 /nfs/dbraw/zinc/88/96/16/440889616.db2.gz KNSXYRXZNHCHFZ-CABCVRRESA-N 0 0 338.316 1.267 50 5 EDBARN Cc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc([N+](=O)[O-])c1C ZINC000005235081 440943384 /nfs/dbraw/zinc/94/33/84/440943384.db2.gz PVPCBXUYEHIORY-UHFFFAOYSA-N 0 0 341.389 1.098 50 5 EDBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccccc1OC(F)F ZINC000006119879 440980881 /nfs/dbraw/zinc/98/08/81/440980881.db2.gz RFIHGYXNZPABPP-UHFFFAOYSA-N 0 0 339.254 1.997 50 5 EDBARN COC(=O)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 ZINC000006180008 440982079 /nfs/dbraw/zinc/98/20/79/440982079.db2.gz HJZGZEFBKGJMRI-UHFFFAOYSA-N 0 0 330.094 1.982 50 5 EDBARN CCN(CC)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO ZINC000006465317 440993933 /nfs/dbraw/zinc/99/39/33/440993933.db2.gz GRUDQRJGKUVZOS-UHFFFAOYSA-N 0 0 339.348 1.024 50 5 EDBARN CC(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000006785789 441013891 /nfs/dbraw/zinc/01/38/91/441013891.db2.gz UWDLFWKPDACDES-UHFFFAOYSA-N 0 0 341.389 1.084 50 5 EDBARN O=C([C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1)N1CCOCC1 ZINC000058159100 441154551 /nfs/dbraw/zinc/15/45/51/441154551.db2.gz NGFZOKITRIYHLE-LLVKDONJSA-N 0 0 325.390 1.732 50 5 EDBARN O=C([C@@H]1CCCN(c2ccsc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000058169239 441155214 /nfs/dbraw/zinc/15/52/14/441155214.db2.gz RICZRJBTUSYKBJ-LLVKDONJSA-N 0 0 325.390 1.732 50 5 EDBARN CCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000048275233 441282951 /nfs/dbraw/zinc/28/29/51/441282951.db2.gz JVDCYIOVHHSDBB-GFCCVEGCSA-N 0 0 344.389 1.793 50 5 EDBARN O=[N+]([O-])C1=C(Nc2cc(Br)ccc2O)CS(=O)(=O)C1 ZINC000022782307 441284836 /nfs/dbraw/zinc/28/48/36/441284836.db2.gz IQJGLPBIDBEICA-UHFFFAOYSA-N 0 0 349.162 1.483 50 5 EDBARN NC(=O)Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000024493278 441313318 /nfs/dbraw/zinc/31/33/18/441313318.db2.gz VVSGNXNZHMATKU-UHFFFAOYSA-N 0 0 329.312 1.640 50 5 EDBARN CN(Cc1ccco1)C(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000026129049 441366901 /nfs/dbraw/zinc/36/69/01/441366901.db2.gz JULOJNDHVWHMQG-UHFFFAOYSA-N 0 0 331.284 1.754 50 5 EDBARN CC1(C)C(=O)NCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000065623165 441472524 /nfs/dbraw/zinc/47/25/24/441472524.db2.gz UEBIDMQFTBWUML-UHFFFAOYSA-N 0 0 334.376 1.524 50 5 EDBARN O=C(NCCNC(=O)c1ccc(O)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000040554020 441628687 /nfs/dbraw/zinc/62/86/87/441628687.db2.gz VXSKLTJXRDJBHI-UHFFFAOYSA-N 0 0 344.327 1.852 50 5 EDBARN CC(C)(C(=O)NC[C@](C)(O)c1ccsc1)n1cc([N+](=O)[O-])cn1 ZINC000079000637 442005689 /nfs/dbraw/zinc/00/56/89/442005689.db2.gz GSBLBFKFSXCGFT-AWEZNQCLSA-N 0 0 338.389 1.612 50 5 EDBARN CN(C)C(=O)CN1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000069707021 442019389 /nfs/dbraw/zinc/01/93/89/442019389.db2.gz WMBGVSNJLUUYTD-UHFFFAOYSA-N 0 0 338.383 1.330 50 5 EDBARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000096171942 442053831 /nfs/dbraw/zinc/05/38/31/442053831.db2.gz KPZPGTNIWSBMSC-KBPBESRZSA-N 0 0 346.339 1.813 50 5 EDBARN CC(C)[C@H]1CN(C)CCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000097083879 442164566 /nfs/dbraw/zinc/16/45/66/442164566.db2.gz APNJDBPPEIABCZ-LLVKDONJSA-N 0 0 347.462 1.836 50 5 EDBARN Cc1ccccc1Nc1nc(N)nc(Cn2nccc2[N+](=O)[O-])n1 ZINC000128057240 442242288 /nfs/dbraw/zinc/24/22/88/442242288.db2.gz BWIVCECYMZHOER-UHFFFAOYSA-N 0 0 326.320 1.659 50 5 EDBARN Cc1noc([C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CCN2C)n1 ZINC000285038353 443832022 /nfs/dbraw/zinc/83/20/22/443832022.db2.gz WAKUTOYIBFBPRX-OAHLLOKOSA-N 0 0 331.376 1.817 50 5 EDBARN Cc1nc2ccccc2c(=O)n1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000182541 485955178 /nfs/dbraw/zinc/95/51/78/485955178.db2.gz BXFKEHVHUYSJIC-UHFFFAOYSA-N 0 0 338.323 1.926 50 5 EDBARN Cc1ccccc1Cn1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000004820979 525212091 /nfs/dbraw/zinc/21/20/91/525212091.db2.gz LGWXWVLDQFTJKC-UHFFFAOYSA-N 0 0 340.343 1.983 50 5 EDBARN CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000004504727 210207555 /nfs/dbraw/zinc/20/75/55/210207555.db2.gz PDNAGWVTXLRWLM-SNVBAGLBSA-N 0 0 346.792 1.897 50 5 EDBARN CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CC)c1=N ZINC000100627710 219102469 /nfs/dbraw/zinc/10/24/69/219102469.db2.gz GVSAJCKRQIGBFQ-UHFFFAOYSA-N 0 0 325.372 1.207 50 5 EDBARN Cc1nn(C)c(C(=O)NCc2nc(-c3ccccc3)c[nH]2)c1[N+](=O)[O-] ZINC000095992391 237031175 /nfs/dbraw/zinc/03/11/75/237031175.db2.gz WXUZNILMNWMSAS-UHFFFAOYSA-N 0 0 340.343 1.957 50 5 EDBARN C[C@H]1NC(=O)N(C)[C@H]2NC(=O)N(C)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000001439277 291185585 /nfs/dbraw/zinc/18/55/85/291185585.db2.gz ZCWQWKGQGKOVJR-HUXSOILUSA-N 0 0 333.348 1.277 50 5 EDBARN O=[N+]([O-])c1ccc(NNS(=O)(=O)c2ccc(Cl)cc2)nc1 ZINC000020031435 212095193 /nfs/dbraw/zinc/09/51/93/212095193.db2.gz QSBKCRUSRBAORV-UHFFFAOYSA-N 0 0 328.737 1.949 50 5 EDBARN O=C(OC1CCN(c2ccc(Cl)nn2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000078989014 217167435 /nfs/dbraw/zinc/16/74/35/217167435.db2.gz FZFOBSIUAKEKFY-UWVGGRQHSA-N 0 0 326.740 1.307 50 5 EDBARN Cc1nn(CC(=O)NCCOc2ccc(C)cc2)c(C)c1[N+](=O)[O-] ZINC000009499046 211092002 /nfs/dbraw/zinc/09/20/02/211092002.db2.gz XZTQQAFWOIHKEF-UHFFFAOYSA-N 0 0 332.360 1.912 50 5 EDBARN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N(C)CC[C@@H](C)O ZINC000408518748 250300195 /nfs/dbraw/zinc/30/01/95/250300195.db2.gz XSBNJUSMAHIPQY-LLVKDONJSA-N 0 0 345.421 1.490 50 5 EDBARN Cc1cnc(CNS(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)o1 ZINC000095429763 218372831 /nfs/dbraw/zinc/37/28/31/218372831.db2.gz HZFFESGSTJTBNP-UHFFFAOYSA-N 0 0 336.329 1.851 50 5 EDBARN O=[N+]([O-])c1cccc(OC[C@H](O)Cn2cc(Br)cn2)c1 ZINC000095438769 218382199 /nfs/dbraw/zinc/38/21/99/218382199.db2.gz IMVJGWBCCIJXOA-LLVKDONJSA-N 0 0 342.149 1.994 50 5 EDBARN Cn1ncc([N+](=O)[O-])c1C(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000095452285 218396696 /nfs/dbraw/zinc/39/66/96/218396696.db2.gz ISTOFQLMUMVETE-UHFFFAOYSA-N 0 0 340.343 1.487 50 5 EDBARN CCCn1c(C)nnc1Cn1nnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000095977983 218482588 /nfs/dbraw/zinc/48/25/88/218482588.db2.gz WJWSYMUVTUSWJY-UHFFFAOYSA-N 0 0 328.336 1.607 50 5 EDBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccn1 ZINC000035349222 132388922 /nfs/dbraw/zinc/38/89/22/132388922.db2.gz JLUXAQQYENDYCX-UHFFFAOYSA-N 0 0 341.371 1.751 50 5 EDBARN COc1cc(CN2CCNC(=O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000035336520 286219322 /nfs/dbraw/zinc/21/93/22/286219322.db2.gz RASLAIOLMUSNRC-UHFFFAOYSA-N 0 0 331.275 1.137 50 5 EDBARN CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000019300924 278225655 /nfs/dbraw/zinc/22/56/55/278225655.db2.gz PFWYAXMEENKSMR-TWMKSMIVSA-N 0 0 333.340 1.813 50 5 EDBARN C[C@@H]1CN(c2nc(N3CCCCC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000019134885 288274028 /nfs/dbraw/zinc/27/40/28/288274028.db2.gz MMSBIRHRIKGEHA-PHIMTYICSA-N 0 0 336.396 1.571 50 5 EDBARN COc1ccc(OC)c(S(=O)(=O)n2c(C)ncc2[N+](=O)[O-])c1 ZINC000000053202 295178120 /nfs/dbraw/zinc/17/81/20/295178120.db2.gz AZDQYBKQNLDUDO-UHFFFAOYSA-N 0 0 327.318 1.354 50 5 EDBARN Cn1nnnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006627766 441002126 /nfs/dbraw/zinc/00/21/26/441002126.db2.gz INKFUJUXWYHHLQ-UHFFFAOYSA-N 0 0 328.741 1.503 50 5 EDBARN COCCN(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000007020407 441031189 /nfs/dbraw/zinc/03/11/89/441031189.db2.gz PYTLSOYDPZFINX-UHFFFAOYSA-N 0 0 345.355 1.432 50 5 EDBARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000069982856 441101375 /nfs/dbraw/zinc/10/13/75/441101375.db2.gz JRIBNSKYJMDXLR-TXEJJXNPSA-N 0 0 327.406 1.907 50 5 EDBARN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)C[C@H](C)O1 ZINC000012417934 441133189 /nfs/dbraw/zinc/13/31/89/441133189.db2.gz PNQYUGPZNTWRKO-AOOOYVTPSA-N 0 0 332.312 1.951 50 5 EDBARN COc1cc(C(=O)NCc2nnc3n2CCC3)c([N+](=O)[O-])cc1OC ZINC000012776759 441142313 /nfs/dbraw/zinc/14/23/13/441142313.db2.gz NHLZAJRFJXLKNF-UHFFFAOYSA-N 0 0 347.331 1.080 50 5 EDBARN C[C@H]1CN(C(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCO1 ZINC000071800043 441156439 /nfs/dbraw/zinc/15/64/39/441156439.db2.gz KZMSVGCEWFCXSO-LBPRGKRZSA-N 0 0 330.344 1.706 50 5 EDBARN O=[N+]([O-])c1ccnn1Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000058175087 441156505 /nfs/dbraw/zinc/15/65/05/441156505.db2.gz NFNMRHSXDPKLAE-UHFFFAOYSA-N 0 0 337.246 1.417 50 5 EDBARN CCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)NC(=S)NC2=O)[C@H]1C ZINC000017057538 441235105 /nfs/dbraw/zinc/23/51/05/441235105.db2.gz VWXCYBGSTRAXHZ-MRVPVSSYSA-N 0 0 348.384 1.723 50 5 EDBARN CCn1nnnc1SCC(=O)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000016559933 441226978 /nfs/dbraw/zinc/22/69/78/441226978.db2.gz PGBMZXQFASFBIS-UHFFFAOYSA-N 0 0 348.388 1.673 50 5 EDBARN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H]1CCC[C@H]1O ZINC000072301755 441228290 /nfs/dbraw/zinc/22/82/90/441228290.db2.gz ALSQKAZIAGMVAK-QPUJVOFHSA-N 0 0 339.304 1.863 50 5 EDBARN Cc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000025405773 441344958 /nfs/dbraw/zinc/34/49/58/441344958.db2.gz JCHBGTZVQSZXBB-LBPRGKRZSA-N 0 0 342.355 1.905 50 5 EDBARN Cn1cnnc1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000024695286 441318215 /nfs/dbraw/zinc/31/82/15/441318215.db2.gz YDHGPWKNBIAKEZ-UHFFFAOYSA-N 0 0 329.360 1.672 50 5 EDBARN Cc1cnc(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000089626631 441565354 /nfs/dbraw/zinc/56/53/54/441565354.db2.gz IYRGODHXFZEPBE-UHFFFAOYSA-N 0 0 325.346 1.987 50 5 EDBARN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C(N)=O)O1 ZINC000095983031 441970226 /nfs/dbraw/zinc/97/02/26/441970226.db2.gz ZTQIANBGSLQIBT-BZNIZROVSA-N 0 0 345.355 1.929 50 5 EDBARN CS(=O)(=O)NC[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000069420777 441933289 /nfs/dbraw/zinc/93/32/89/441933289.db2.gz MWGCCTBOAXQPHF-ZDUSSCGKSA-N 0 0 327.406 1.499 50 5 EDBARN C[C@]1(c2ccccn2)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000069744991 442030919 /nfs/dbraw/zinc/03/09/19/442030919.db2.gz SEOZYUNBDDDLCI-MRXNPFEDSA-N 0 0 326.312 1.957 50 5 EDBARN CC[C@H](CO)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000097095532 442165987 /nfs/dbraw/zinc/16/59/87/442165987.db2.gz WOGFGJHHTIPNEF-GFCCVEGCSA-N 0 0 341.795 1.777 50 5 EDBARN CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C)(C)S(=O)(=O)CC1 ZINC000192926889 442698998 /nfs/dbraw/zinc/69/89/98/442698998.db2.gz ZOVSHHHTKGCTRX-UHFFFAOYSA-N 0 0 330.410 1.523 50 5 EDBARN CC[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC000272283018 443579046 /nfs/dbraw/zinc/57/90/46/443579046.db2.gz UBNGERPVZCUJOQ-TVQRCGJNSA-N 0 0 340.286 1.838 50 5 EDBARN Cn1ccc(N2CCC[C@H](NC(=O)c3ccc([N+](=O)[O-])s3)C2=O)n1 ZINC000172848722 230834798 /nfs/dbraw/zinc/83/47/98/230834798.db2.gz MTUOZAMTSRDOBJ-VIFPVBQESA-N 0 0 349.372 1.315 50 5 EDBARN CNS(=O)(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000008055158 290791373 /nfs/dbraw/zinc/79/13/73/290791373.db2.gz QQOYHTDUKDTDGD-NXEZZACHSA-N 0 0 329.378 1.117 50 5 EDBARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccccc1[N+](=O)[O-] ZINC000102547388 219209940 /nfs/dbraw/zinc/20/99/40/219209940.db2.gz GFZRDBVUOAQUSD-VXGBXAGGSA-N 0 0 343.339 1.875 50 5 EDBARN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCNC(=O)C1 ZINC000003540264 210050247 /nfs/dbraw/zinc/05/02/47/210050247.db2.gz JZIGMEOLMOPUHT-QMMMGPOBSA-N 0 0 326.740 1.007 50 5 EDBARN O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003328927 210009223 /nfs/dbraw/zinc/00/92/23/210009223.db2.gz HJEGTTHZYYZBAZ-UHFFFAOYSA-N 0 0 335.247 1.163 50 5 EDBARN C[C@@H](On1nnc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003320167 210006078 /nfs/dbraw/zinc/00/60/78/210006078.db2.gz NXDTXNJQURHDJV-SNVBAGLBSA-N 0 0 327.300 1.795 50 5 EDBARN CCNC(=O)Cn1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000067243514 215127557 /nfs/dbraw/zinc/12/75/57/215127557.db2.gz BCUYDTSFLOLHTG-UHFFFAOYSA-N 0 0 347.331 1.188 50 5 EDBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)c1nccs1 ZINC000068451636 215309569 /nfs/dbraw/zinc/30/95/69/215309569.db2.gz GYRINNMRTSWGCC-VIFPVBQESA-N 0 0 334.357 1.833 50 5 EDBARN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C ZINC000069329153 215379857 /nfs/dbraw/zinc/37/98/57/215379857.db2.gz MOYJPZSCYAMFHN-STQMWFEESA-N 0 0 349.387 1.879 50 5 EDBARN NC(=O)c1ccc(CN[C@]2(CO)CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000095980391 283377610 /nfs/dbraw/zinc/37/76/10/283377610.db2.gz OFLLHXCRIHDBEZ-SFHVURJKSA-N 0 0 341.367 1.617 50 5 EDBARN CN(Cc1nc2ccccc2n1C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000071896766 215935466 /nfs/dbraw/zinc/93/54/66/215935466.db2.gz BZWCOJKHJCCOPO-UHFFFAOYSA-N 0 0 342.359 1.727 50 5 EDBARN COc1ccc(C2=N/C(=C\c3cnn(C)c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000021781926 212248499 /nfs/dbraw/zinc/24/84/99/212248499.db2.gz YGCWBBXOTPQYIO-WZUFQYTHSA-N 0 0 328.284 1.681 50 5 EDBARN Cc1nc(C)c(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])o1 ZINC000241644218 242996112 /nfs/dbraw/zinc/99/61/12/242996112.db2.gz PPGDYPSWUMBNBI-UHFFFAOYSA-N 0 0 326.334 1.459 50 5 EDBARN CCOC(=O)C1=C(C)NC2=C(C(=O)OC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000019800344 212069607 /nfs/dbraw/zinc/06/96/07/212069607.db2.gz ZYQOLGCHSLBXFG-AWEZNQCLSA-N 0 0 344.323 1.930 50 5 EDBARN O=[N+]([O-])c1cnc(N2CC[C@@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000078404293 217048881 /nfs/dbraw/zinc/04/88/81/217048881.db2.gz WWHBGLLYKMAYBN-NSHDSACASA-N 0 0 326.784 1.802 50 5 EDBARN C[S@](=O)Cc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000079360839 217214802 /nfs/dbraw/zinc/21/48/02/217214802.db2.gz FPPIZCOBWSEPHP-HSZRJFAPSA-N 0 0 336.373 1.699 50 5 EDBARN Cc1ccc2[nH]c(SCC(=O)Nc3nonc3[N+](=O)[O-])nc2c1 ZINC000012462619 211389206 /nfs/dbraw/zinc/38/92/06/211389206.db2.gz GXINOSRXJXXYIO-UHFFFAOYSA-N 0 0 334.317 1.893 50 5 EDBARN Cc1cc([N+](=O)[O-])cnc1N1CCN(C(=O)Cc2ccccn2)CC1 ZINC000092687646 218158520 /nfs/dbraw/zinc/15/85/20/218158520.db2.gz KQJJXWJGYGAJNY-UHFFFAOYSA-N 0 0 341.371 1.585 50 5 EDBARN CCN(CC(=O)NC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000009596566 211107336 /nfs/dbraw/zinc/10/73/36/211107336.db2.gz JUUSZPPSHACAQD-UHFFFAOYSA-N 0 0 343.405 1.438 50 5 EDBARN [NH3+][C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000095432046 218374629 /nfs/dbraw/zinc/37/46/29/218374629.db2.gz KGNFWGIERDMBFO-GFCCVEGCSA-N 0 0 339.348 1.712 50 5 EDBARN Cc1cc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n2ncnc2n1 ZINC000095433678 218376312 /nfs/dbraw/zinc/37/63/12/218376312.db2.gz KXTPYLHWSCKKDM-LLVKDONJSA-N 0 0 340.347 1.427 50 5 EDBARN NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000095942993 218455246 /nfs/dbraw/zinc/45/52/46/218455246.db2.gz SHYVRHWQIZWNRP-AWEZNQCLSA-N 0 0 347.277 1.930 50 5 EDBARN O=c1[nH]nc(SCc2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 ZINC000007350778 210786837 /nfs/dbraw/zinc/78/68/37/210786837.db2.gz FREXPHBSDDWEID-GFCCVEGCSA-N 0 0 336.373 1.951 50 5 EDBARN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000281940439 257938711 /nfs/dbraw/zinc/93/87/11/257938711.db2.gz LINUBHURVMYPAT-JTQLQIEISA-N 0 0 348.359 1.878 50 5 EDBARN Cn1cnnc1[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(NC3CC3)n2)C1 ZINC000029588485 135744018 /nfs/dbraw/zinc/74/40/18/135744018.db2.gz OZFLCFFMALUCCL-SNVBAGLBSA-N 0 0 344.379 1.472 50 5 EDBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N(CCO)c1cccc(F)c1 ZINC000122443866 222089389 /nfs/dbraw/zinc/08/93/89/222089389.db2.gz DDRWFQFAJPWMQZ-UHFFFAOYSA-N 0 0 340.332 1.922 50 5 EDBARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000007813694 276335551 /nfs/dbraw/zinc/33/55/51/276335551.db2.gz NWYWEEBPBNSOLT-UHFFFAOYSA-N 0 0 343.405 1.462 50 5 EDBARN COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)c1 ZINC000017207663 278018452 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EDBARN Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cccn3)cc2)n1 ZINC000000374381 440817959 /nfs/dbraw/zinc/81/79/59/440817959.db2.gz CJIBMKYILNYHAY-UHFFFAOYSA-N 0 0 326.316 1.444 50 5 EDBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)N1CCOCC1 ZINC000002884814 440882181 /nfs/dbraw/zinc/88/21/81/440882181.db2.gz BSQLZEIOGKIFPN-MRVPVSSYSA-N 0 0 347.169 1.282 50 5 EDBARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)N1 ZINC000006394409 440991591 /nfs/dbraw/zinc/99/15/91/440991591.db2.gz CJKJTRNYEAJKFC-OIBJUYFYSA-N 0 0 335.242 1.211 50 5 EDBARN CCn1c2ccccc2nc1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000008709945 441097746 /nfs/dbraw/zinc/09/77/46/441097746.db2.gz FYTCGWXGXDQWKD-UHFFFAOYSA-N 0 0 327.300 1.905 50 5 EDBARN CC(=O)N1CCc2cc(NC(=O)Cn3cnc([N+](=O)[O-])c3)ccc21 ZINC000012753758 441141203 /nfs/dbraw/zinc/14/12/03/441141203.db2.gz NQFIJAGUBXHYPL-UHFFFAOYSA-N 0 0 329.316 1.339 50 5 EDBARN C[C@@H]1CCCCN1C(=O)CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000012917579 441148474 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345.403 1.745 50 5 EDBARN CCCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000020568063 212147985 /nfs/dbraw/zinc/14/79/85/212147985.db2.gz DXCMTVMOPWQTJS-UHFFFAOYSA-N 0 0 329.378 1.277 50 5 EDBARN COc1cccc([C@H](O)CNC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000078929735 217150340 /nfs/dbraw/zinc/15/03/40/217150340.db2.gz GNYNISKOWWRFQO-MRXNPFEDSA-N 0 0 330.340 1.996 50 5 EDBARN Cn1nnnc1-c1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000010084019 211146676 /nfs/dbraw/zinc/14/66/76/211146676.db2.gz YRDVJRFXOAJHEF-UHFFFAOYSA-N 0 0 338.327 1.967 50 5 EDBARN NC(=O)c1ccc(SCC(=O)NCc2ccco2)c([N+](=O)[O-])c1 ZINC000007737341 210840992 /nfs/dbraw/zinc/84/09/92/210840992.db2.gz JIUMRJJCGGZATK-UHFFFAOYSA-N 0 0 335.341 1.695 50 5 EDBARN O=[N+]([O-])c1c2nonc2c(N2CCCCC2)cc1N1CCOCC1 ZINC000004899285 285080489 /nfs/dbraw/zinc/08/04/89/285080489.db2.gz FYGVSEJNMAKOSG-UHFFFAOYSA-N 0 0 333.348 1.958 50 5 EDBARN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(CCO)CC2)o1 ZINC000004985576 210350284 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000046034025 302042613 /nfs/dbraw/zinc/04/26/13/302042613.db2.gz CBCQCISXEUTAID-UHFFFAOYSA-N 0 0 342.373 1.431 50 5 EDBARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000182442 440805037 /nfs/dbraw/zinc/80/50/37/440805037.db2.gz SOUHPRBMMNUGQE-UHFFFAOYSA-N 0 0 349.368 1.215 50 5 EDBARN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Br)cn1 ZINC000000371622 440817812 /nfs/dbraw/zinc/81/78/12/440817812.db2.gz LNDJBVBWSSAZFY-UHFFFAOYSA-N 0 0 326.110 1.738 50 5 EDBARN CN1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(F)cc3)n2)CC1 ZINC000004306341 440915834 /nfs/dbraw/zinc/91/58/34/440915834.db2.gz HELOANUHQXVLQU-UHFFFAOYSA-N 0 0 347.354 1.602 50 5 EDBARN CCn1ncc(N2C(=S)N=NC2Cn2nc([N+](=O)[O-])cc2C)c1C ZINC000002802807 440877927 /nfs/dbraw/zinc/87/79/27/440877927.db2.gz DDELEPRUNCSMMB-UHFFFAOYSA-N 0 0 348.392 1.542 50 5 EDBARN CCCCOC(=O)c1cc2ncc(-c3n[nH]cc3[N+](=O)[O-])cn2n1 ZINC000005285298 440945858 /nfs/dbraw/zinc/94/58/58/440945858.db2.gz 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O=C(NC1CCCCC1)NC1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000055410599 214321259 /nfs/dbraw/zinc/32/12/59/214321259.db2.gz WPOIMKKQRLHPGR-KGLIPLIRSA-N 0 0 338.408 1.275 50 5 EDBARN COc1ccc([N+](=O)[O-])cc1O[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000174093346 231119557 /nfs/dbraw/zinc/11/95/57/231119557.db2.gz QGUKKLHDHPLLAF-CQSZACIVSA-N 0 0 346.343 1.911 50 5 EDBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000046319481 213795405 /nfs/dbraw/zinc/79/54/05/213795405.db2.gz GGWKYKAEBDYSNN-ZDUSSCGKSA-N 0 0 346.387 1.381 50 5 EDBARN CCOc1ccc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000040549001 213346653 /nfs/dbraw/zinc/34/66/53/213346653.db2.gz CGAOHNGDUYBMEJ-JQWIXIFHSA-N 0 0 335.360 1.720 50 5 EDBARN COc1cccc([C@H]2CCCN2C(=O)Cn2ncc([N+](=O)[O-])c2N)c1 ZINC000127545962 222854527 /nfs/dbraw/zinc/85/45/27/222854527.db2.gz HLOCXVUIRSCFSM-CYBMUJFWSA-N 0 0 345.359 1.746 50 5 EDBARN CCc1nnc(-n2ccc3nc4ccn(C5CC5)c(=O)c4cc3c2=O)[nH]1 ZINC000040399144 213297694 /nfs/dbraw/zinc/29/76/94/213297694.db2.gz OCBMKISBMMPHAO-UHFFFAOYSA-N 0 0 348.366 1.716 50 5 EDBARN COc1cc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000023641459 212387046 /nfs/dbraw/zinc/38/70/46/212387046.db2.gz VTZPRDMUDFANRO-VXGBXAGGSA-N 0 0 337.376 1.960 50 5 EDBARN Cc1noc(CN2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)n1 ZINC000252487013 243784700 /nfs/dbraw/zinc/78/47/00/243784700.db2.gz HQKRLZPEWDEURA-UHFFFAOYSA-N 0 0 345.359 1.553 50 5 EDBARN NC(=O)[C@H]1Cc2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000010255736 211157297 /nfs/dbraw/zinc/15/72/97/211157297.db2.gz NATJRJCMJHCSOS-OAHLLOKOSA-N 0 0 325.324 1.581 50 5 EDBARN COC(=O)CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000009368317 211075998 /nfs/dbraw/zinc/07/59/98/211075998.db2.gz MXEVPBGOZHTOBQ-UHFFFAOYSA-N 0 0 349.265 1.705 50 5 EDBARN CCc1n[nH]c(C(=O)NCC(=O)Nc2ccccc2CC)c1[N+](=O)[O-] ZINC000095394324 218326053 /nfs/dbraw/zinc/32/60/53/218326053.db2.gz DATUUFOSLDJZDS-UHFFFAOYSA-N 0 0 345.359 1.811 50 5 EDBARN CN1CCN(C(=O)Cn2ccc(Nc3ccccc3[N+](=O)[O-])n2)CC1 ZINC000095399064 218331926 /nfs/dbraw/zinc/33/19/26/218331926.db2.gz MYDDPSDJDOSFPM-UHFFFAOYSA-N 0 0 344.375 1.309 50 5 EDBARN Nc1nc(N2CCCCCC2)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000005215268 210415648 /nfs/dbraw/zinc/41/56/48/210415648.db2.gz RIIPXBUBYFOCEG-NSHDSACASA-N 0 0 336.396 1.938 50 5 EDBARN C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCN(C)CC1 ZINC000097112902 218960629 /nfs/dbraw/zinc/96/06/29/218960629.db2.gz BUFNNFBEXQSWQY-AWEZNQCLSA-N 0 0 346.431 1.722 50 5 EDBARN Cc1nc(-c2cccc(C)c2)n(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000097229805 218999894 /nfs/dbraw/zinc/99/98/94/218999894.db2.gz OLIRNOAFFKKKHC-HNNXBMFYSA-N 0 0 342.359 1.728 50 5 EDBARN O=C1c2ccccc2C(=O)N1[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000000174043 296439994 /nfs/dbraw/zinc/43/99/94/296439994.db2.gz OXGKHXMLXGRJQR-LSDHHAIUSA-N 0 0 342.307 1.285 50 5 EDBARN O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12)N1CCOCC1 ZINC000035870860 132391132 /nfs/dbraw/zinc/39/11/32/132391132.db2.gz IWRKJTOBYAPESR-DOTOQJQBSA-N 0 0 345.399 1.985 50 5 EDBARN COC1CN(c2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000069844553 292171294 /nfs/dbraw/zinc/17/12/94/292171294.db2.gz OYKRHTVKHJYFDG-UHFFFAOYSA-N 0 0 343.405 1.507 50 5 EDBARN O=C(NCc1ccoc1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000171870307 227327456 /nfs/dbraw/zinc/32/74/56/227327456.db2.gz JMDBIJCIKFZAFE-NSHDSACASA-N 0 0 347.302 1.996 50 5 EDBARN CC(C)C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000046034881 279194645 /nfs/dbraw/zinc/19/46/45/279194645.db2.gz HELUSQSGEDMGFK-NSHDSACASA-N 0 0 343.405 1.376 50 5 EDBARN O=C1Nc2nccc([N+](=O)[O-])c2C1(Br)Br ZINC000261494174 280305125 /nfs/dbraw/zinc/30/51/25/280305125.db2.gz RLXXOYWALDXSLV-UHFFFAOYSA-N 0 0 336.927 1.885 50 5 EDBARN Cc1nc(N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000253417644 293341104 /nfs/dbraw/zinc/34/11/04/293341104.db2.gz BSTMCJMYZNFDQK-RISCZKNCSA-N 0 0 341.389 1.446 50 5 EDBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCNC(=O)C2(C)C)c1C ZINC000069699180 301429181 /nfs/dbraw/zinc/42/91/81/301429181.db2.gz CGULJQHKBFPIGF-UHFFFAOYSA-N 0 0 341.389 1.111 50 5 EDBARN O=C1Nc2ccccc2C12OCC(Br)([N+](=O)[O-])CO2 ZINC000000093709 440797595 /nfs/dbraw/zinc/79/75/95/440797595.db2.gz AUUCPQSCAKGIHY-UHFFFAOYSA-N 0 0 329.106 1.206 50 5 EDBARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000102084 440799120 /nfs/dbraw/zinc/79/91/20/440799120.db2.gz IXLBXRJLVSNXEY-UHFFFAOYSA-N 0 0 325.280 1.830 50 5 EDBARN Cn1c2nc([N+](=O)[O-])n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000002522018 440864893 /nfs/dbraw/zinc/86/48/93/440864893.db2.gz QCABLZVLRKRUIJ-UHFFFAOYSA-N 0 0 349.734 1.044 50 5 EDBARN O=[N+]([O-])C1=C(Nc2ccc(Br)cc2)CS(=O)(=O)C1 ZINC000000298106 440812724 /nfs/dbraw/zinc/81/27/24/440812724.db2.gz SDQJGVIBRCODOR-UHFFFAOYSA-N 0 0 333.163 1.778 50 5 EDBARN CCOC(=O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000003026367 440887618 /nfs/dbraw/zinc/88/76/18/440887618.db2.gz GSVAVRANECSSKB-LBPRGKRZSA-N 0 0 330.362 1.461 50 5 EDBARN COc1ccc(C(=O)C2CCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000045059603 440944671 /nfs/dbraw/zinc/94/46/71/440944671.db2.gz ABDBYAOJSUFCGY-LSDHHAIUSA-N 0 0 332.356 1.782 50 5 EDBARN CCC1=Nc2nnnn2[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC ZINC000045895980 441055925 /nfs/dbraw/zinc/05/59/25/441055925.db2.gz FDOOAZFQFXJOJA-GFCCVEGCSA-N 0 0 330.304 1.433 50 5 EDBARN CC(=O)c1ccc(N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000008318909 441089159 /nfs/dbraw/zinc/08/91/59/441089159.db2.gz QYEQKTSIAXGKPZ-UHFFFAOYSA-N 0 0 329.360 1.858 50 5 EDBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000008456063 441093192 /nfs/dbraw/zinc/09/31/92/441093192.db2.gz DMUBIXNSDRSFQR-UHFFFAOYSA-N 0 0 335.276 1.806 50 5 EDBARN CCN(C[C@@H]1CCOC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000071893365 441187423 /nfs/dbraw/zinc/18/74/23/441187423.db2.gz LDYFJPBDESMXBY-NSHDSACASA-N 0 0 345.355 1.935 50 5 EDBARN CN(CCCNS(C)(=O)=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000058225148 441162294 /nfs/dbraw/zinc/16/22/94/441162294.db2.gz BBUMWGSQAVSRGF-UHFFFAOYSA-N 0 0 335.813 1.619 50 5 EDBARN C[C@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025018042 441327963 /nfs/dbraw/zinc/32/79/63/441327963.db2.gz UVWIFFYQRXNJPI-WFASDCNBSA-N 0 0 347.371 1.443 50 5 EDBARN COC(=O)c1cnc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)s1 ZINC000024364919 441308892 /nfs/dbraw/zinc/30/88/92/441308892.db2.gz LTVBLKXLZLFMCH-UHFFFAOYSA-N 0 0 339.333 1.290 50 5 EDBARN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCO[C@H](c3ccsc3)C2)c1 ZINC000107517950 441418255 /nfs/dbraw/zinc/41/82/55/441418255.db2.gz LUDGILIDSUZINW-KGLIPLIRSA-N 0 0 338.389 1.287 50 5 EDBARN Cc1ccccc1OCCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000032788675 441571784 /nfs/dbraw/zinc/57/17/84/441571784.db2.gz VNFDQUYMTRXHPP-UHFFFAOYSA-N 0 0 331.328 1.743 50 5 EDBARN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCc3sccc3C2)c1 ZINC000077293954 441749816 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CCn1c2ccc(F)cc2nc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000097107555 442170811 /nfs/dbraw/zinc/17/08/11/442170811.db2.gz GKGIFDLSOBUCEB-UHFFFAOYSA-N 0 0 332.295 2.089 50 5 EDBARN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C1CC1 ZINC000170594688 442233556 /nfs/dbraw/zinc/23/35/56/442233556.db2.gz YJGJRTGXQGVIET-ZIAGYGMSSA-N 0 0 338.385 1.531 50 5 EDBARN COC(=O)c1cc(CN(C)C(=O)c2ccnc(N)c2[N+](=O)[O-])oc1C ZINC000328592470 444388275 /nfs/dbraw/zinc/38/82/75/444388275.db2.gz SNBPOBQRXAAXMA-UHFFFAOYSA-N 0 0 348.315 1.532 50 5 EDBARN NS(=O)(=O)c1ccc(NCC2CCSCC2)cc1[N+](=O)[O-] ZINC000408522044 447672813 /nfs/dbraw/zinc/67/28/13/447672813.db2.gz CDYZHDBRTTYSFZ-UHFFFAOYSA-N 0 0 331.419 1.797 50 5 EDBARN O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)OCCn1cccn1 ZINC000052765986 214142905 /nfs/dbraw/zinc/14/29/05/214142905.db2.gz DXLPPRVKMMBEMB-NSCUHMNNSA-N 0 0 345.311 1.914 50 5 EDBARN CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(C(C)C)c1=N ZINC000100318769 219096551 /nfs/dbraw/zinc/09/65/51/219096551.db2.gz 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ZINC000033038284 212891749 /nfs/dbraw/zinc/89/17/49/212891749.db2.gz FHFIOHUNQDBRPS-UHFFFAOYSA-N 0 0 335.389 1.852 50 5 EDBARN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)c1ncccc1[N+](=O)[O-] ZINC000072281921 216111313 /nfs/dbraw/zinc/11/13/13/216111313.db2.gz TUSVWAZQZKRUJO-SNVBAGLBSA-N 0 0 336.373 1.835 50 5 EDBARN COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000075142355 216579511 /nfs/dbraw/zinc/57/95/11/216579511.db2.gz QSOLDSXFCKGTRJ-NSHDSACASA-N 0 0 349.343 1.577 50 5 EDBARN CCc1nsc(N2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)n1 ZINC000078577522 217079403 /nfs/dbraw/zinc/07/94/03/217079403.db2.gz FGPGCXZKJMGOSU-UHFFFAOYSA-N 0 0 337.409 1.377 50 5 EDBARN COc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000011006362 211198824 /nfs/dbraw/zinc/19/88/24/211198824.db2.gz XCGSKPGYSKNIOL-UHFFFAOYSA-N 0 0 345.311 1.700 50 5 EDBARN O=C(CCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1ccco1 ZINC000009951254 211136907 /nfs/dbraw/zinc/13/69/07/211136907.db2.gz PTLMTUZWRVQTSF-UHFFFAOYSA-N 0 0 331.284 1.802 50 5 EDBARN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000097235678 219001853 /nfs/dbraw/zinc/00/18/53/219001853.db2.gz VMIQKWGKRKPMSY-GFCCVEGCSA-N 0 0 341.371 1.971 50 5 EDBARN COc1ccc([N+](=O)[O-])c(C(=O)NCCNc2ccc(C)nn2)c1 ZINC000069974450 258063797 /nfs/dbraw/zinc/06/37/97/258063797.db2.gz FJLQPHCMGNUGAL-UHFFFAOYSA-N 0 0 331.332 1.544 50 5 EDBARN CNC(=O)COC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000028442508 277231094 /nfs/dbraw/zinc/23/10/94/277231094.db2.gz OIBWFYAPMZJSCA-RYUDHWBXSA-N 0 0 349.387 1.980 50 5 EDBARN C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000004117407 279881954 /nfs/dbraw/zinc/88/19/54/279881954.db2.gz BZERGBHMTPXECF-VIFPVBQESA-N 0 0 333.797 1.718 50 5 EDBARN O=[N+]([O-])c1ccc(-c2nnc(NCCCO)s2)c([N+](=O)[O-])c1 ZINC000002546656 440865198 /nfs/dbraw/zinc/86/51/98/440865198.db2.gz JPGNLXPWFLXIHW-UHFFFAOYSA-N 0 0 325.306 1.816 50 5 EDBARN CC(=O)c1ccc(N2CCN(c3ncnc(N)c3[N+](=O)[O-])CC2)cc1 ZINC000003912682 440909217 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CC[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1c(C)nn(C)c1C ZINC000089947777 441602699 /nfs/dbraw/zinc/60/26/99/441602699.db2.gz IMMKZKNWNHRRCN-CYBMUJFWSA-N 0 0 349.395 1.592 50 5 EDBARN O=C(c1ccc[nH]1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077125578 441719856 /nfs/dbraw/zinc/71/98/56/441719856.db2.gz HMZJLRUTJVCPNH-UHFFFAOYSA-N 0 0 328.328 1.521 50 5 EDBARN O=C(Nc1ccn(CCc2ccccn2)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000095978415 441967386 /nfs/dbraw/zinc/96/73/86/441967386.db2.gz BLPDFUWETRBAAI-UHFFFAOYSA-N 0 0 327.304 1.404 50 5 EDBARN CCOC(=O)C[C@](C)(O)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000096011393 441980960 /nfs/dbraw/zinc/98/09/60/441980960.db2.gz AYDVJWCTDADGBR-HNNXBMFYSA-N 0 0 340.332 1.498 50 5 EDBARN C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000069737958 442024010 /nfs/dbraw/zinc/02/40/10/442024010.db2.gz JKBUIWYGLQFGQV-NSHDSACASA-N 0 0 349.368 1.900 50 5 EDBARN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)S(=O)(=O)C=C2 ZINC000069812719 442047659 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Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000014075882 441169980 /nfs/dbraw/zinc/16/99/80/441169980.db2.gz DTXLFAOFGISAKT-UHFFFAOYSA-N 0 0 331.284 1.047 50 5 EDBARN CC1CCN(C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000058150734 441154033 /nfs/dbraw/zinc/15/40/33/441154033.db2.gz ISZGZSNNUXSMOD-UHFFFAOYSA-N 0 0 331.170 1.812 50 5 EDBARN Cc1nnc(Sc2ccc(F)cc2[N+](=O)[O-])n1CC(=O)N(C)C ZINC000058214014 441160108 /nfs/dbraw/zinc/16/01/08/441160108.db2.gz ONUIGSIGOPCPED-UHFFFAOYSA-N 0 0 339.352 1.873 50 5 EDBARN CNS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000071920572 441197016 /nfs/dbraw/zinc/19/70/16/441197016.db2.gz IGPWUGZITUEPFW-CMPLNLGQSA-N 0 0 343.405 1.466 50 5 EDBARN O=[N+]([O-])c1ccc(N2CCN(Cc3nnsc3Cl)CC2)cn1 ZINC000026490033 441378759 /nfs/dbraw/zinc/37/87/59/441378759.db2.gz NIAQAVGSSGEGLO-UHFFFAOYSA-N 0 0 340.796 1.817 50 5 EDBARN Cc1cc(COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)on1 ZINC000026468118 441379134 /nfs/dbraw/zinc/37/91/34/441379134.db2.gz MNYLERRATRZUAY-UHFFFAOYSA-N 0 0 340.313 1.652 50 5 EDBARN C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1cccc(-n2cncn2)c1 ZINC000075091872 441492285 /nfs/dbraw/zinc/49/22/85/441492285.db2.gz UDGMMLQZTXHIJO-SECBINFHSA-N 0 0 326.320 1.721 50 5 EDBARN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2nnc3n2CCC3)c1 ZINC000032889119 441576252 /nfs/dbraw/zinc/57/62/52/441576252.db2.gz AVHHHPQOJPUMFZ-UHFFFAOYSA-N 0 0 333.373 1.784 50 5 EDBARN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCc2ccc(F)cc21 ZINC000089807173 441581061 /nfs/dbraw/zinc/58/10/61/441581061.db2.gz HIKZXQVRFXGRJB-AWEZNQCLSA-N 0 0 333.323 1.917 50 5 EDBARN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CC(O)C1 ZINC000095980196 441968303 /nfs/dbraw/zinc/96/83/03/441968303.db2.gz FPPOSLRMRNOKLI-UHFFFAOYSA-N 0 0 348.096 1.016 50 5 EDBARN C[C@]1(c2ccccn2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000069557438 441972089 /nfs/dbraw/zinc/97/20/89/441972089.db2.gz UJNRKAHMSYXOIO-MRXNPFEDSA-N 0 0 326.312 1.957 50 5 EDBARN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000079042343 442011997 /nfs/dbraw/zinc/01/19/97/442011997.db2.gz UYRPTRKBQDKDES-LLVKDONJSA-N 0 0 328.390 1.419 50 5 EDBARN O=C(Cc1noc([C@H]2CC2[N+](=O)[O-])n1)Nc1ccc2c(c1)OCCO2 ZINC000069778582 442039591 /nfs/dbraw/zinc/03/95/91/442039591.db2.gz CZGVTTJBIIXBQL-UWVGGRQHSA-N 0 0 346.299 1.155 50 5 EDBARN O=[N+]([O-])c1ccc(N2CCN(CCOC[C@H]3CCCO3)CC2)cc1 ZINC000096421051 442123153 /nfs/dbraw/zinc/12/31/53/442123153.db2.gz SICPNLKMEGAEHX-QGZVFWFLSA-N 0 0 335.404 1.912 50 5 EDBARN COC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[nH][nH]c2C[C@]1(C)O ZINC000245257731 536544647 /nfs/dbraw/zinc/54/46/47/536544647.db2.gz DSZPTZIVEZYESI-RBOXIYTFSA-N 0 0 347.327 1.252 50 5 EDBARN COc1ccc(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1OC ZINC000004743113 210265096 /nfs/dbraw/zinc/26/50/96/210265096.db2.gz DDRAZUJIINQMOC-UHFFFAOYSA-N 0 0 334.332 1.167 50 5 EDBARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2c(=O)nc3[nH]cnn3c2N1 ZINC000004625363 210233161 /nfs/dbraw/zinc/23/31/61/210233161.db2.gz KMBPBQOKEPOJIN-SECBINFHSA-N 0 0 326.272 1.212 50 5 EDBARN O=C(CCN1CCCC1=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000068103031 215277104 /nfs/dbraw/zinc/27/71/04/215277104.db2.gz LAJLFFASMKUAAM-UHFFFAOYSA-N 0 0 343.343 1.732 50 5 EDBARN Cc1cc(C)n(-c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cn2)n1 ZINC000040088979 213261432 /nfs/dbraw/zinc/26/14/32/213261432.db2.gz XBJLCXJLXPYUIM-UHFFFAOYSA-N 0 0 341.331 1.628 50 5 EDBARN CC(C)(C)[S@](=O)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000072281125 216109964 /nfs/dbraw/zinc/10/99/64/216109964.db2.gz SNZPSEHWWABKBW-QHCPKHFHSA-N 0 0 338.389 1.748 50 5 EDBARN COC(=O)[C@@H](CC(C)C)OC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000071913704 291250474 /nfs/dbraw/zinc/25/04/74/291250474.db2.gz GEOWCAMSRZYAGU-GFCCVEGCSA-N 0 0 341.364 1.929 50 5 EDBARN COC(=O)[C@@H]1C[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)N2CCC[C@H]12 ZINC000034929109 284192829 /nfs/dbraw/zinc/19/28/29/284192829.db2.gz INMSNIOAXIMXNT-ZXIHIIQKSA-N 0 0 331.328 1.400 50 5 EDBARN O=C1CNC(=O)N1CCSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000012972413 211494647 /nfs/dbraw/zinc/49/46/47/211494647.db2.gz SEVKREHTUGEIBG-UHFFFAOYSA-N 0 0 338.370 1.848 50 5 EDBARN COCCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C ZINC000009724466 211119172 /nfs/dbraw/zinc/11/91/72/211119172.db2.gz INBQLBPGTHTWJC-CQSZACIVSA-N 0 0 349.343 1.755 50 5 EDBARN CC(C)c1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000093531157 218230213 /nfs/dbraw/zinc/23/02/13/218230213.db2.gz CDAKCWGMPHMBQU-ZDUSSCGKSA-N 0 0 341.433 1.842 50 5 EDBARN COC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCO1 ZINC000408518396 250299247 /nfs/dbraw/zinc/29/92/47/250299247.db2.gz FORUYUZSHUCZIN-SECBINFHSA-N 0 0 344.751 1.886 50 5 EDBARN Cc1noc([C@H]2COCCN2c2nc3ccccn3c2[N+](=O)[O-])n1 ZINC000097108339 218958353 /nfs/dbraw/zinc/95/83/53/218958353.db2.gz ODDBSACFTXKFQI-SNVBAGLBSA-N 0 0 330.304 1.512 50 5 EDBARN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cn3ccsc3n2)c1 ZINC000005071622 210383798 /nfs/dbraw/zinc/38/37/98/210383798.db2.gz LGRDHOJFKQBCEO-UHFFFAOYSA-N 0 0 338.370 1.783 50 5 EDBARN CCN(CC)C(=O)COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000003490132 208559552 /nfs/dbraw/zinc/55/95/52/208559552.db2.gz AQZVEKUWUSHFKS-UHFFFAOYSA-N 0 0 338.316 1.407 50 5 EDBARN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2C[C@@H]3C[C@H]2CS3)cc1 ZINC000328597844 258042598 /nfs/dbraw/zinc/04/25/98/258042598.db2.gz IZSVEXAGDBNNMQ-RYUDHWBXSA-N 0 0 328.415 1.558 50 5 EDBARN COCCCC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000032937775 258058973 /nfs/dbraw/zinc/05/89/73/258058973.db2.gz AKRWUAYVXNAZRN-UHFFFAOYSA-N 0 0 326.349 1.697 50 5 EDBARN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000097045568 258068078 /nfs/dbraw/zinc/06/80/78/258068078.db2.gz GVFWBWGTOHGJKI-CQSZACIVSA-N 0 0 343.387 1.723 50 5 EDBARN Cc1nonc1OCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000057547341 132201021 /nfs/dbraw/zinc/20/10/21/132201021.db2.gz KZQXLWFLJRSIBS-UHFFFAOYSA-N 0 0 333.348 1.487 50 5 EDBARN CCCNC(=O)CN1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000057948676 132432750 /nfs/dbraw/zinc/43/27/50/132432750.db2.gz VHVAJDGIGLISJV-UHFFFAOYSA-N 0 0 348.403 1.446 50 5 EDBARN C[C@@H]1C(=O)Nc2cccnc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000095466334 287190396 /nfs/dbraw/zinc/19/03/96/287190396.db2.gz VPPQFUBFFFQAOK-SECBINFHSA-N 0 0 348.340 1.526 50 5 EDBARN CCCN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)C1=O ZINC000187872417 278825345 /nfs/dbraw/zinc/82/53/45/278825345.db2.gz LDHKCPPNIRXORR-UHFFFAOYSA-N 0 0 348.403 1.527 50 5 EDBARN NC(=O)[C@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000058482218 295149654 /nfs/dbraw/zinc/14/96/54/295149654.db2.gz VYUYLWBPPXXLPZ-NSHDSACASA-N 0 0 332.360 1.189 50 5 EDBARN Cc1nn(Cc2ccccc2C(=O)N2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000002794618 440878198 /nfs/dbraw/zinc/87/81/98/440878198.db2.gz KXXIKVLZVORUSW-UHFFFAOYSA-N 0 0 344.371 1.929 50 5 EDBARN O=C(NC(=S)N[C@H]1CCSC1=O)c1cccc([N+](=O)[O-])c1 ZINC000002905841 440882900 /nfs/dbraw/zinc/88/29/00/440882900.db2.gz HEPSVFJQQOUWQL-VIFPVBQESA-N 0 0 325.371 1.231 50 5 EDBARN O=C(COC(=O)COc1ccccc1[N+](=O)[O-])NC1CCCCC1 ZINC000003509862 440902454 /nfs/dbraw/zinc/90/24/54/440902454.db2.gz SDULTBOGTHMLLQ-UHFFFAOYSA-N 0 0 336.344 1.966 50 5 EDBARN CN1CCN(c2nc(NCc3ccccc3)nc(N)c2[N+](=O)[O-])CC1 ZINC000005163300 440939069 /nfs/dbraw/zinc/93/90/69/440939069.db2.gz PWGCVFVVVGKUIJ-UHFFFAOYSA-N 0 0 343.391 1.331 50 5 EDBARN O=C(NCc1ccc(N2CCOCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000012171457 441128283 /nfs/dbraw/zinc/12/82/83/441128283.db2.gz XODTYBJZCSHCMI-UHFFFAOYSA-N 0 0 342.355 1.756 50 5 EDBARN CC(C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2C=O)CC1 ZINC000058124281 441151827 /nfs/dbraw/zinc/15/18/27/441151827.db2.gz YLHJREPPOOOUEC-UHFFFAOYSA-N 0 0 334.376 1.054 50 5 EDBARN COC(=O)c1cccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000024842955 441322929 /nfs/dbraw/zinc/32/29/29/441322929.db2.gz FCWPLDITAZHZJJ-UHFFFAOYSA-N 0 0 331.284 1.182 50 5 EDBARN Cn1ncc2c1CCC[C@H]2NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000024995469 441326728 /nfs/dbraw/zinc/32/67/28/441326728.db2.gz ZPGOVJURXBZJDY-CQSZACIVSA-N 0 0 330.344 1.901 50 5 EDBARN Cn1cc(N2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)cn1 ZINC000074394246 441431162 /nfs/dbraw/zinc/43/11/62/441431162.db2.gz ADCVJZHKCZBHHE-UHFFFAOYSA-N 0 0 349.778 1.944 50 5 EDBARN Cc1cccc(N2CCC(Nc3ncc([N+](=O)[O-])c(N)n3)CC2)n1 ZINC000075140291 441501911 /nfs/dbraw/zinc/50/19/11/441501911.db2.gz MPJZKTLGAHFRGQ-UHFFFAOYSA-N 0 0 329.364 1.751 50 5 EDBARN CN(Cc1ccco1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000032976330 441581706 /nfs/dbraw/zinc/58/17/06/441581706.db2.gz KBBGDNRSVDPUPG-UHFFFAOYSA-N 0 0 331.328 1.966 50 5 EDBARN Cn1cc([C@H]2C[C@H]2C(=O)NCCNc2ccccc2[N+](=O)[O-])cn1 ZINC000069418206 441930740 /nfs/dbraw/zinc/93/07/40/441930740.db2.gz OFVMDAPTBUIMDL-CHWSQXEVSA-N 0 0 329.360 1.660 50 5 EDBARN Cc1nn(C)c(NCc2ccnc(N3CCO[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000096447494 442133998 /nfs/dbraw/zinc/13/39/98/442133998.db2.gz NMLNIKWIDKMTHW-NSHDSACASA-N 0 0 346.391 1.869 50 5 EDBARN Cc1nc(N2CCN(C(=O)Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000097020775 442156231 /nfs/dbraw/zinc/15/62/31/442156231.db2.gz KHXKEQQUFQEUGQ-UHFFFAOYSA-N 0 0 341.371 1.585 50 5 EDBARN O=c1c(Br)cn(CN2CCCCC2=O)cc1[N+](=O)[O-] ZINC000097080621 442163294 /nfs/dbraw/zinc/16/32/94/442163294.db2.gz NTJSQOXGCVNCKT-UHFFFAOYSA-N 0 0 330.138 1.489 50 5 EDBARN O=c1c2ccoc2ccn1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000097085553 442165205 /nfs/dbraw/zinc/16/52/05/442165205.db2.gz CAKQHWTURDUNJO-LLVKDONJSA-N 0 0 330.296 1.943 50 5 EDBARN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC(Cn2cncn2)CC1 ZINC000186244752 442495645 /nfs/dbraw/zinc/49/56/45/442495645.db2.gz HPCBZTAAOPIFDD-UHFFFAOYSA-N 0 0 344.375 1.808 50 5 EDBARN CCn1nc(C)c([N+](=O)[O-])c1N1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000225459918 443105437 /nfs/dbraw/zinc/10/54/37/443105437.db2.gz PQTNWVFYHLYYMB-ZDUSSCGKSA-N 0 0 334.380 1.793 50 5 EDBARN C[C@H]1CN(C)CC[C@H]1N(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000242191379 443210152 /nfs/dbraw/zinc/21/01/52/443210152.db2.gz XFBUWMNFUCDJPV-VHSXEESVSA-N 0 0 347.462 1.836 50 5 EDBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000408513094 447666979 /nfs/dbraw/zinc/66/69/79/447666979.db2.gz XFWCRQKXYBXDET-UHFFFAOYSA-N 0 0 349.328 1.676 50 5 EDBARN COc1cc(C(=O)N2CCC(O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000169913871 486146590 /nfs/dbraw/zinc/14/65/90/486146590.db2.gz PXWBHWPQEFEDHN-UHFFFAOYSA-N 0 0 346.286 1.802 50 5 EDBARN CC(C)(C)NC(=O)CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000009470684 201779724 /nfs/dbraw/zinc/77/97/24/201779724.db2.gz FJAJUPRFZHHTBR-UHFFFAOYSA-N 0 0 337.380 1.221 50 5 EDBARN CS(=O)(=O)c1ccc(NCc2nnc3n2CCC3)c([N+](=O)[O-])c1 ZINC000024904526 202122348 /nfs/dbraw/zinc/12/23/48/202122348.db2.gz DCXIRSASALPCBO-UHFFFAOYSA-N 0 0 337.361 1.148 50 5 EDBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000032400770 202224455 /nfs/dbraw/zinc/22/44/55/202224455.db2.gz MKHSCJCMFHIGLT-AOOOYVTPSA-N 0 0 330.362 1.401 50 5 EDBARN CC[S@](=O)[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000253396556 201186221 /nfs/dbraw/zinc/18/62/21/201186221.db2.gz AILZQWZULBTFQV-XXAQJILISA-N 0 0 339.417 1.987 50 5 EDBARN O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000022769337 212322581 /nfs/dbraw/zinc/32/25/81/212322581.db2.gz ROWMJNNCZWRRGO-OAHLLOKOSA-N 0 0 345.355 1.991 50 5 EDBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1nccs1 ZINC000002940052 283809263 /nfs/dbraw/zinc/80/92/63/283809263.db2.gz QSBASDIVRXXZEX-UHFFFAOYSA-N 0 0 332.297 1.286 50 5 EDBARN Nc1nc(NC[C@H]2CCCO2)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000005047596 201636201 /nfs/dbraw/zinc/63/62/01/201636201.db2.gz AIMMNOJYPGPOOG-NXEZZACHSA-N 0 0 338.368 1.149 50 5 EDBARN CCN(CCO)c1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000069845402 203056336 /nfs/dbraw/zinc/05/63/36/203056336.db2.gz IVVOUUNHVOLOOO-UHFFFAOYSA-N 0 0 345.421 1.490 50 5 EDBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000069744373 203046199 /nfs/dbraw/zinc/04/61/99/203046199.db2.gz IERYVCSWBPFGDM-VHSXEESVSA-N 0 0 346.430 1.625 50 5 EDBARN CCS(=O)(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000097082801 203916083 /nfs/dbraw/zinc/91/60/83/203916083.db2.gz JUDTYMBFBNQQQR-UHFFFAOYSA-N 0 0 347.824 1.716 50 5 EDBARN COc1ccc(C(=O)NCC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000048363508 204350893 /nfs/dbraw/zinc/35/08/93/204350893.db2.gz NZBQRZUOHCKKIE-UHFFFAOYSA-N 0 0 343.339 1.650 50 5 EDBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cn3ccsc3n2)cc1 ZINC000012618078 207179169 /nfs/dbraw/zinc/17/91/69/207179169.db2.gz ZMKVUKZTGGSWMT-UHFFFAOYSA-N 0 0 338.370 1.783 50 5 EDBARN O=[N+]([O-])c1ccc(-c2nc3n(n2)[C@@H]2CS(=O)(=O)C[C@H]2S3)cc1 ZINC000014608589 285105603 /nfs/dbraw/zinc/10/56/03/285105603.db2.gz XZSDKUGJJXXHKY-NXEZZACHSA-N 0 0 338.370 1.297 50 5 EDBARN CCCCn1nnnc1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000026228772 276244891 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O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000024366156 202114600 /nfs/dbraw/zinc/11/46/00/202114600.db2.gz RNWNRPGAROSBNX-CQSZACIVSA-N 0 0 348.359 1.450 50 5 EDBARN Cn1ccnc1SCCNc1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000026696247 202146643 /nfs/dbraw/zinc/14/66/43/202146643.db2.gz VVLOAQBPZWCGSC-UHFFFAOYSA-N 0 0 335.393 1.897 50 5 EDBARN C[S@](=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000188274751 236500366 /nfs/dbraw/zinc/50/03/66/236500366.db2.gz OXWBZFBKOAIZEH-QHCPKHFHSA-N 0 0 333.369 1.844 50 5 EDBARN O=C(COc1cccc([N+](=O)[O-])c1)NCCNC(=O)c1ccccc1 ZINC000032816563 212848775 /nfs/dbraw/zinc/84/87/75/212848775.db2.gz VXLBZTQUJJIKRU-UHFFFAOYSA-N 0 0 343.339 1.520 50 5 EDBARN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nccs1 ZINC000001807594 283778335 /nfs/dbraw/zinc/77/83/35/283778335.db2.gz DENBFZKBPIAYTP-UHFFFAOYSA-N 0 0 346.324 1.676 50 5 EDBARN COc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc(OC)c1OC ZINC000000037116 201426006 /nfs/dbraw/zinc/42/60/06/201426006.db2.gz 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Cc1cccc(Nc2nc(NCCOCCO)nc(N)c2[N+](=O)[O-])c1 ZINC000005068245 440937288 /nfs/dbraw/zinc/93/72/88/440937288.db2.gz BLPQRBPNMISHSQ-UHFFFAOYSA-N 0 0 348.363 1.440 50 5 EDBARN C[C@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(NC[C@@H]3CCCO3)n2)C1 ZINC000005163323 440939224 /nfs/dbraw/zinc/93/92/24/440939224.db2.gz KJDPUVLSGPVBIR-QWRGUYRKSA-N 0 0 336.396 1.794 50 5 EDBARN Cc1nn(CC(=O)NC[C@H]2COc3ccccc3O2)c(C)c1[N+](=O)[O-] ZINC000005168427 440940376 /nfs/dbraw/zinc/94/03/76/440940376.db2.gz SAXRSRPYMDCZEO-LBPRGKRZSA-N 0 0 346.343 1.364 50 5 EDBARN Cc1cc(OCC(=O)NC(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000009482324 441104958 /nfs/dbraw/zinc/10/49/58/441104958.db2.gz KNONXYBUIBWKJA-UHFFFAOYSA-N 0 0 333.300 1.901 50 5 EDBARN NS(=O)(=O)c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000008054967 441080886 /nfs/dbraw/zinc/08/08/86/441080886.db2.gz XASOQJGSOIBGAC-UHFFFAOYSA-N 0 0 333.369 1.805 50 5 EDBARN Cc1ccc(NC(=O)COC(=O)c2cc[n+]([O-])cc2)c([N+](=O)[O-])c1 ZINC000014138478 441173196 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O=C(NCc1cccnc1)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000020650139 441266101 /nfs/dbraw/zinc/26/61/01/441266101.db2.gz IGQCZPFTZZRCOS-UHFFFAOYSA-N 0 0 341.371 1.918 50 5 EDBARN CC1(C)CN=C(N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)S1 ZINC000085821431 441452432 /nfs/dbraw/zinc/45/24/32/441452432.db2.gz WYZWWUQCROUPBQ-UHFFFAOYSA-N 0 0 338.437 1.290 50 5 EDBARN CNC(=O)CN1CCN(c2ncnc3cc4ccccc4cc32)CC1 ZINC000089386142 441544383 /nfs/dbraw/zinc/54/43/83/441544383.db2.gz XLEIKIVOYYDOHQ-UHFFFAOYSA-N 0 0 335.411 1.651 50 5 EDBARN C[C@H](CC1CC1)NC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000112751968 441557557 /nfs/dbraw/zinc/55/75/57/441557557.db2.gz XODKOTKLDHCKSS-WKPIXPDZSA-N 0 0 337.376 1.477 50 5 EDBARN O=C(N[C@@H]1CCCCNC1=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000056978000 441764393 /nfs/dbraw/zinc/76/43/93/441764393.db2.gz CCIFWGYWVOYQKN-CQSZACIVSA-N 0 0 346.387 1.594 50 5 EDBARN CC(=O)N[C@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000069165610 441901921 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O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1CN2CCN1CC2 ZINC000170591234 442232951 /nfs/dbraw/zinc/23/29/51/442232951.db2.gz JYEDYMVRMQNKAW-SECBINFHSA-N 0 0 342.197 1.164 50 5 EDBARN CCOC(=O)c1cc(C(=O)NCc2cc(OC)no2)cc([N+](=O)[O-])c1 ZINC000585140579 448708718 /nfs/dbraw/zinc/70/87/18/448708718.db2.gz HIFHPBIMKADOIE-UHFFFAOYSA-N 0 0 349.299 1.698 50 5 EDBARN CCNC(=O)CN(CC)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000008877566 201764052 /nfs/dbraw/zinc/76/40/52/201764052.db2.gz XQUYEFWMOAOKGO-UHFFFAOYSA-N 0 0 343.405 1.358 50 5 EDBARN COC(=O)Cn1nc(Br)c([N+](=O)[O-])c1Br ZINC000014007548 201924245 /nfs/dbraw/zinc/92/42/45/201924245.db2.gz ZEAGTNWHWKOQGI-UHFFFAOYSA-N 0 0 342.931 1.489 50 5 EDBARN CNS(=O)(=O)c1cccc(CNCc2cccc([N+](=O)[O-])c2)c1 ZINC000066988888 215101558 /nfs/dbraw/zinc/10/15/58/215101558.db2.gz MEBXNTWGQJQDBF-UHFFFAOYSA-N 0 0 335.385 1.793 50 5 EDBARN Cc1nn(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000002796341 209916191 /nfs/dbraw/zinc/91/61/91/209916191.db2.gz ZVOBKJOGUSXQII-UHFFFAOYSA-N 0 0 333.304 1.746 50 5 EDBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccncc2)CC1 ZINC000019782495 202020566 /nfs/dbraw/zinc/02/05/66/202020566.db2.gz WIFDRYNKKZFEAH-UHFFFAOYSA-N 0 0 326.356 1.948 50 5 EDBARN O=c1c2cc3c(ccn(-c4ccccc4)c3=O)nc2ccn1CCO ZINC000038828951 202408705 /nfs/dbraw/zinc/40/87/05/202408705.db2.gz ZHNZRDWWOLADOK-UHFFFAOYSA-N 0 0 333.347 1.693 50 5 EDBARN CCn1nc(C)c(CN(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)c1C ZINC000002774969 201544468 /nfs/dbraw/zinc/54/44/68/201544468.db2.gz RZQXXQSKIHGHPE-UHFFFAOYSA-N 0 0 334.380 1.742 50 5 EDBARN O=C(CNC(=O)c1ccccc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002749862 201542318 /nfs/dbraw/zinc/54/23/18/201542318.db2.gz MNYNOPAGKBARGZ-UHFFFAOYSA-N 0 0 342.307 1.751 50 5 EDBARN Cc1nc(CN2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)no1 ZINC000069631819 203030284 /nfs/dbraw/zinc/03/02/84/203030284.db2.gz PMIAVXQAYUKAOI-UHFFFAOYSA-N 0 0 343.347 1.256 50 5 EDBARN O=[N+]([O-])c1ccccc1-c1nn2c(CN3CCOCC3)nnc2s1 ZINC000071260502 203088216 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Nc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000095407865 218344090 /nfs/dbraw/zinc/34/40/90/218344090.db2.gz POBNHIAEIUIFRQ-UHFFFAOYSA-N 0 0 332.282 1.497 50 5 EDBARN CS(=O)(=O)c1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000120764050 257974484 /nfs/dbraw/zinc/97/44/84/257974484.db2.gz YOAIOGFXSKCZGA-UHFFFAOYSA-N 0 0 349.368 1.965 50 5 EDBARN Cn1cc(N2CCC[C@H](Oc3ccc([N+](=O)[O-])c(CO)c3)C2=O)cn1 ZINC000328595868 258042316 /nfs/dbraw/zinc/04/23/16/258042316.db2.gz HOKVISAIZPNHIK-HNNXBMFYSA-N 0 0 346.343 1.395 50 5 EDBARN Cn1ccc(N2CCC[C@H](Oc3ccc([N+](=O)[O-])c(CO)c3)C2=O)n1 ZINC000328595979 258043010 /nfs/dbraw/zinc/04/30/10/258043010.db2.gz MGVBNHTYZSLUQQ-AWEZNQCLSA-N 0 0 346.343 1.395 50 5 EDBARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000001060602 440837915 /nfs/dbraw/zinc/83/79/15/440837915.db2.gz UTCFKFMBDIUDDS-SNVBAGLBSA-N 0 0 327.362 1.205 50 5 EDBARN COC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002476362 440863134 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CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000048354024 441298350 /nfs/dbraw/zinc/29/83/50/441298350.db2.gz PWYUXHUSDONTOT-LLVKDONJSA-N 0 0 336.348 1.649 50 5 EDBARN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084343863 441394279 /nfs/dbraw/zinc/39/42/79/441394279.db2.gz KWGAKUAYHYFQPV-KWQFWETISA-N 0 0 334.781 1.688 50 5 EDBARN Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000065479810 441443086 /nfs/dbraw/zinc/44/30/86/441443086.db2.gz IVLBILPRSSEUPL-UHFFFAOYSA-N 0 0 342.359 1.238 50 5 EDBARN O=[N+]([O-])c1ccc(NCCNc2nnnn2-c2ccccc2)nc1 ZINC000075110749 441495806 /nfs/dbraw/zinc/49/58/06/441495806.db2.gz KDATYTRZFJUZDX-UHFFFAOYSA-N 0 0 326.320 1.490 50 5 EDBARN C[C@H](Cn1cccn1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000056053020 441684477 /nfs/dbraw/zinc/68/44/77/441684477.db2.gz GYFTZQTXLKEOLD-SECBINFHSA-N 0 0 344.780 1.812 50 5 EDBARN Cc1cc(NC[C@@H](O)CN2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000095428393 441925361 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Cc1c(Br)c(N[C@@H]2CC(=O)N(C)C2=O)ncc1[N+](=O)[O-] ZINC000165783540 442210693 /nfs/dbraw/zinc/21/06/93/442210693.db2.gz MHIMIPRVJAICDH-ZCFIWIBFSA-N 0 0 343.137 1.230 50 5 EDBARN Cc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000170598917 442233781 /nfs/dbraw/zinc/23/37/81/442233781.db2.gz LHPAIMILFCLDHF-LLVKDONJSA-N 0 0 345.396 1.757 50 5 EDBARN COc1ccccc1CN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000132759734 442400042 /nfs/dbraw/zinc/40/00/42/442400042.db2.gz UWJUZOKVLUSBTG-UHFFFAOYSA-N 0 0 345.359 1.285 50 5 EDBARN Cn1cc([N+](=O)[O-])c(-c2nc(-c3cc([N+](=O)[O-])ccc3N)no2)n1 ZINC000253419575 443063509 /nfs/dbraw/zinc/06/35/09/443063509.db2.gz PTPGNOUHQTVGFR-UHFFFAOYSA-N 0 0 331.248 1.536 50 5 EDBARN CCOC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@]1(C)O ZINC000245238395 443219258 /nfs/dbraw/zinc/21/92/58/443219258.db2.gz MZJXZKVHHNSFHZ-MISXGVKJSA-N 0 0 339.373 1.001 50 5 EDBARN CCn1cnnc1[C@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])CCO1 ZINC000370050359 446179568 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EDBARN COCCn1nc(C)c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000058245023 202747086 /nfs/dbraw/zinc/74/70/86/202747086.db2.gz JBKATUDYCDNUEV-UHFFFAOYSA-N 0 0 346.387 1.913 50 5 EDBARN CCCNC(=O)NC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000069565481 203019846 /nfs/dbraw/zinc/01/98/46/203019846.db2.gz QTZLOCRRSKXPQG-UHFFFAOYSA-N 0 0 331.332 1.694 50 5 EDBARN COC(=O)[C@@H](C)N(CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000069704690 203040151 /nfs/dbraw/zinc/04/01/51/203040151.db2.gz MGOATFQACYUEKY-LLVKDONJSA-N 0 0 335.360 1.868 50 5 EDBARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000069982861 203068971 /nfs/dbraw/zinc/06/89/71/203068971.db2.gz JRIBNSKYJMDXLR-VXGBXAGGSA-N 0 0 327.406 1.907 50 5 EDBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)c1cnn(C)c1 ZINC000071921643 203151532 /nfs/dbraw/zinc/15/15/32/203151532.db2.gz PLULYJFBTRVDGH-UHFFFAOYSA-N 0 0 326.334 1.162 50 5 EDBARN NC(=O)[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000095452100 203745810 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EDBARN Nc1nc(NCCc2ccccc2)nc(N2CCOCC2)c1[N+](=O)[O-] ZINC000004306425 135663594 /nfs/dbraw/zinc/66/35/94/135663594.db2.gz MSISVKUDRYHVJB-UHFFFAOYSA-N 0 0 344.375 1.458 50 5 EDBARN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ncccc1O ZINC000009221097 135686356 /nfs/dbraw/zinc/68/63/56/135686356.db2.gz DWZCFEGINCCPLZ-UHFFFAOYSA-N 0 0 344.283 1.060 50 5 EDBARN CCS(=O)(=O)C[C@H](C)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000079042349 286628155 /nfs/dbraw/zinc/62/81/55/286628155.db2.gz UYRPTRKBQDKDES-NSHDSACASA-N 0 0 328.390 1.419 50 5 EDBARN COC(=O)c1cn(C(=O)c2nn(C)cc2[N+](=O)[O-])c2ccccc12 ZINC000000078826 440795002 /nfs/dbraw/zinc/79/50/02/440795002.db2.gz CORWJRCMWLBVNZ-UHFFFAOYSA-N 0 0 328.284 1.758 50 5 EDBARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1OC ZINC000000365684 440816576 /nfs/dbraw/zinc/81/65/76/440816576.db2.gz PAMXUOFLAITYAW-ZDUSSCGKSA-N 0 0 335.316 1.747 50 5 EDBARN COc1ccc(OCC(=O)NC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000005429502 440953609 /nfs/dbraw/zinc/95/36/09/440953609.db2.gz KXVKWXZNUUJRMJ-UHFFFAOYSA-N 0 0 330.296 1.939 50 5 EDBARN CCOC(=O)c1nn(-c2ccc(OCC)cc2[N+](=O)[O-])c(=N)s1 ZINC000005578084 440959445 /nfs/dbraw/zinc/95/94/45/440959445.db2.gz YCKINBMCYBLQLH-UHFFFAOYSA-N 0 0 338.345 1.897 50 5 EDBARN O=C(Cn1nc(C(F)F)cc1C(F)F)Nn1cc([N+](=O)[O-])cn1 ZINC000006828564 441018761 /nfs/dbraw/zinc/01/87/61/441018761.db2.gz MARXYRCROAVSGH-UHFFFAOYSA-N 0 0 336.205 1.633 50 5 EDBARN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000010331201 441113552 /nfs/dbraw/zinc/11/35/52/441113552.db2.gz VTYYBXPPXDUQDM-ZDUSSCGKSA-N 0 0 346.343 1.545 50 5 EDBARN CC[C@@H](C)[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)OC ZINC000012548878 441135642 /nfs/dbraw/zinc/13/56/42/441135642.db2.gz TWYLOWQMNSQKKQ-YGRLFVJLSA-N 0 0 337.376 1.978 50 5 EDBARN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)C2CC2)CC1 ZINC000012934453 441148673 /nfs/dbraw/zinc/14/86/73/441148673.db2.gz BEVFNUGRTFUWFQ-GFCCVEGCSA-N 0 0 346.387 1.476 50 5 EDBARN C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(OC(F)F)cc1 ZINC000058073851 441150749 /nfs/dbraw/zinc/15/07/49/441150749.db2.gz RDDUFZLKBUTYJY-MRVPVSSYSA-N 0 0 341.274 1.665 50 5 EDBARN O=C(CCNC(=O)COc1cccc([N+](=O)[O-])c1)Nc1cccnc1 ZINC000058174444 441156107 /nfs/dbraw/zinc/15/61/07/441156107.db2.gz QUPQWXCGIMWNIK-UHFFFAOYSA-N 0 0 344.327 1.514 50 5 EDBARN CNS(=O)(=O)c1ccc(NC2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000015208745 441197040 /nfs/dbraw/zinc/19/70/40/441197040.db2.gz OPCDLMRYKAZNJV-UHFFFAOYSA-N 0 0 329.378 1.218 50 5 EDBARN O=C(Cn1cnc([N+](=O)[O-])c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000024837548 441322022 /nfs/dbraw/zinc/32/20/22/441322022.db2.gz LPCBMODGCPMREO-UHFFFAOYSA-N 0 0 349.778 1.794 50 5 EDBARN NC(=O)c1ncccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000065566013 441461373 /nfs/dbraw/zinc/46/13/73/441461373.db2.gz DHKJDFVPTDCUKC-UHFFFAOYSA-N 0 0 332.341 1.820 50 5 EDBARN COC1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000053884649 441546153 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CC(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCOCC1 ZINC000178156324 442412073 /nfs/dbraw/zinc/41/20/73/442412073.db2.gz KHFLRRVFOLIQFR-CQSZACIVSA-N 0 0 336.392 1.264 50 5 EDBARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1nccc1[N+](=O)[O-] ZINC000253416127 443060747 /nfs/dbraw/zinc/06/07/47/443060747.db2.gz VAYYGEKUKYULBG-UHFFFAOYSA-N 0 0 346.343 1.611 50 5 EDBARN CCCc1nc(C(N)=O)nn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000253431054 443069860 /nfs/dbraw/zinc/06/98/60/443069860.db2.gz SUWFNKCYBXBGHT-UHFFFAOYSA-N 0 0 347.331 1.153 50 5 EDBARN CC[C@@H](C)OC(=O)C=S([O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004303282 486556441 /nfs/dbraw/zinc/55/64/41/486556441.db2.gz KMCXWXKQZONUNU-PJLCYMMNSA-N 0 0 330.318 1.952 50 5 EDBARN CS(=O)(=O)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068766778 215332924 /nfs/dbraw/zinc/33/29/24/215332924.db2.gz HPVHFWSKAXFSFJ-UHFFFAOYSA-N 0 0 327.406 1.516 50 5 EDBARN CN1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000050079793 282889265 /nfs/dbraw/zinc/88/92/65/282889265.db2.gz ASNWFOQWNCVUKX-UHFFFAOYSA-N 0 0 332.404 1.585 50 5 EDBARN O=C(NCCN1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000020218605 202034939 /nfs/dbraw/zinc/03/49/39/202034939.db2.gz NBLMDAYLDWIYBG-UHFFFAOYSA-N 0 0 335.385 1.872 50 5 EDBARN O=C([C@@H]1CCCO1)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000036394285 202325033 /nfs/dbraw/zinc/32/50/33/202325033.db2.gz SCTPLDHKKUSFDW-INIZCTEOSA-N 0 0 349.387 1.297 50 5 EDBARN Cc1ccc([C@](O)(CCNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])C(F)(F)F)o1 ZINC000052469995 202646329 /nfs/dbraw/zinc/64/63/29/202646329.db2.gz GHFOXOFBUJFRDV-VDDIYKPWSA-N 0 0 336.266 1.509 50 5 EDBARN COC(=O)C(C(=O)OC)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000002293716 201528599 /nfs/dbraw/zinc/52/85/99/201528599.db2.gz OFXAFACDMSDAKU-SNVBAGLBSA-N 0 0 341.316 1.026 50 5 EDBARN Cc1nn([C@H](C)c2nc3c4cnn(C)c4ncn3n2)c(C)c1[N+](=O)[O-] ZINC000002800217 201545854 /nfs/dbraw/zinc/54/58/54/201545854.db2.gz GXWLPNRLVIGVBQ-SECBINFHSA-N 0 0 341.335 1.342 50 5 EDBARN COC(=O)C(C)(C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000069442762 203002522 /nfs/dbraw/zinc/00/25/22/203002522.db2.gz VXAWSFSEZPNBSP-UHFFFAOYSA-N 0 0 336.753 1.478 50 5 EDBARN Cn1cnc([N+](=O)[O-])c1NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000101535344 204010227 /nfs/dbraw/zinc/01/02/27/204010227.db2.gz UFOZWLUGKUUFFN-UHFFFAOYSA-N 0 0 335.286 1.541 50 5 EDBARN CCOC(=O)[C@@H](C(=O)Cn1cnc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000103095981 204062241 /nfs/dbraw/zinc/06/22/41/204062241.db2.gz LYLBGNORBKSCOE-NSHDSACASA-N 0 0 338.345 1.472 50 5 EDBARN COC(=O)c1cc(C(=O)OCCN2CCCC2=O)cc([N+](=O)[O-])c1 ZINC000045969587 204333855 /nfs/dbraw/zinc/33/38/55/204333855.db2.gz KNNPDTQNPSSLOR-UHFFFAOYSA-N 0 0 336.300 1.161 50 5 EDBARN CCCNC(=O)CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000018181818 211987930 /nfs/dbraw/zinc/98/79/30/211987930.db2.gz ZYNXTSOZHXMWCJ-UHFFFAOYSA-N 0 0 349.391 1.271 50 5 EDBARN CCOC(=O)C1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000000621205 206245353 /nfs/dbraw/zinc/24/53/53/206245353.db2.gz PORJBFVHJANYHC-UHFFFAOYSA-N 0 0 336.344 1.775 50 5 EDBARN CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000004504721 206494060 /nfs/dbraw/zinc/49/40/60/206494060.db2.gz XFSKRPGZVQXTOD-SECBINFHSA-N 0 0 332.765 1.507 50 5 EDBARN Cc1nc(N2CCCC[C@@H]2CCNS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000268481233 139787307 /nfs/dbraw/zinc/78/73/07/139787307.db2.gz LKRBWHRCIQKLCH-GFCCVEGCSA-N 0 0 342.421 1.596 50 5 EDBARN O=c1[nH]cnc2c1C(c1ccc([N+](=O)[O-])cc1)c1c(=O)[nH]cnc1O2 ZINC000018202595 296525818 /nfs/dbraw/zinc/52/58/18/296525818.db2.gz DXZUGVPAJKCKAS-UHFFFAOYSA-N 0 0 339.267 1.047 50 5 EDBARN C[C@@H](CO)N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000095416517 274228454 /nfs/dbraw/zinc/22/84/54/274228454.db2.gz RZUKNEMBHMNETD-VIFPVBQESA-N 0 0 345.197 1.255 50 5 EDBARN C[C@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CCN(C)CC3)n2)C1 ZINC000005050563 274619149 /nfs/dbraw/zinc/61/91/49/274619149.db2.gz HFYLUMZDQLOWSC-RYUDHWBXSA-N 0 0 349.439 1.201 50 5 EDBARN C[C@@H]1CN(C(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)CCO1 ZINC000008726285 288033692 /nfs/dbraw/zinc/03/36/92/288033692.db2.gz ZJKZVIWMXQOOPK-CYBMUJFWSA-N 0 0 348.403 1.208 50 5 EDBARN Cc1nn(CSc2nnc(C(F)(F)F)n2N)c(C)c1[N+](=O)[O-] ZINC000002554078 440865398 /nfs/dbraw/zinc/86/53/98/440865398.db2.gz MDOIOAOFYZLKCH-UHFFFAOYSA-N 0 0 337.287 1.482 50 5 EDBARN O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000002634067 440868114 /nfs/dbraw/zinc/86/81/14/440868114.db2.gz SUZVAAVKMKPIQU-UHFFFAOYSA-N 0 0 328.708 1.264 50 5 EDBARN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000002735506 440873681 /nfs/dbraw/zinc/87/36/81/440873681.db2.gz HIINAXAMCACOMN-UHFFFAOYSA-N 0 0 326.316 1.825 50 5 EDBARN Cc1c(=O)n(OCc2ccc([N+](=O)[O-])cc2)c2ccccc2[n+]1[O-] ZINC000002845955 440880678 /nfs/dbraw/zinc/88/06/78/440880678.db2.gz QXXPNEGHVSTQPI-UHFFFAOYSA-N 0 0 327.296 1.480 50 5 EDBARN COc1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000003291142 440895534 /nfs/dbraw/zinc/89/55/34/440895534.db2.gz UYXSIYXAYPUXRW-LLVKDONJSA-N 0 0 338.316 1.055 50 5 EDBARN C[C@@H]1C[C@H](NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])NC(=S)N1 ZINC000003900042 440908961 /nfs/dbraw/zinc/90/89/61/440908961.db2.gz NSEZPKCKNUNQKV-LDWIPMOCSA-N 0 0 326.338 1.002 50 5 EDBARN Nc1nc(NCc2ccco2)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000005142069 440936919 /nfs/dbraw/zinc/93/69/19/440936919.db2.gz CWEKQRJXIIMNNJ-VIFPVBQESA-N 0 0 334.336 1.763 50 5 EDBARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005077378 440937236 /nfs/dbraw/zinc/93/72/36/440937236.db2.gz HQHBHXINYBQNMY-UHFFFAOYSA-N 0 0 325.280 1.830 50 5 EDBARN Nc1nc(NCCOCCO)nc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000006317332 440987309 /nfs/dbraw/zinc/98/73/09/440987309.db2.gz SOQVNWICLDOCBW-UHFFFAOYSA-N 0 0 340.384 1.132 50 5 EDBARN CCN1CCC[C@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000006507352 440996203 /nfs/dbraw/zinc/99/62/03/440996203.db2.gz DTDNYDJECIOMLL-NSHDSACASA-N 0 0 327.406 1.895 50 5 EDBARN Cc1ccc(C(=O)NCCCNC(=O)c2cnccn2)cc1[N+](=O)[O-] ZINC000007871477 441072153 /nfs/dbraw/zinc/07/21/53/441072153.db2.gz IFZFXFPWFYRRHM-UHFFFAOYSA-N 0 0 343.343 1.243 50 5 EDBARN CCOC(=O)Cc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000009357816 441104732 /nfs/dbraw/zinc/10/47/32/441104732.db2.gz YZSVDKAOMYJNJH-UHFFFAOYSA-N 0 0 336.329 1.804 50 5 EDBARN COc1ccc(CNC(=O)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000010326776 441112973 /nfs/dbraw/zinc/11/29/73/441112973.db2.gz YYSWJGCVYGBDFT-UHFFFAOYSA-N 0 0 347.302 1.997 50 5 EDBARN COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nnc2ccccn21 ZINC000011546964 441122086 /nfs/dbraw/zinc/12/20/86/441122086.db2.gz YUXGLTOSGAMBTG-UHFFFAOYSA-N 0 0 341.327 1.619 50 5 EDBARN CCNC(=O)[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047864932 441231152 /nfs/dbraw/zinc/23/11/52/441231152.db2.gz RCJKSQHVOUIQAY-SSDOTTSWSA-N 0 0 346.290 1.842 50 5 EDBARN CN(CC(=O)N1CCCC1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000016738286 441231526 /nfs/dbraw/zinc/23/15/26/441231526.db2.gz 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COC(=O)[C@H](C)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000069535247 203015965 /nfs/dbraw/zinc/01/59/65/203015965.db2.gz NTOSHIVGTKWTBN-ZETCQYMHSA-N 0 0 328.346 1.617 50 5 EDBARN C[C@H]1C[C@H](C)CN(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000069982859 203068291 /nfs/dbraw/zinc/06/82/91/203068291.db2.gz JRIBNSKYJMDXLR-RYUDHWBXSA-N 0 0 327.406 1.907 50 5 EDBARN COC(=O)c1cc([N+](=O)[O-])c(N(C)CC(=O)NC(C)C)cc1Cl ZINC000078876162 203431674 /nfs/dbraw/zinc/43/16/74/203431674.db2.gz JHWLZCJIBVUTAU-UHFFFAOYSA-N 0 0 343.767 1.996 50 5 EDBARN CNC(=O)C1CCN(C(=O)Cn2ccc3c2cccc3[N+](=O)[O-])CC1 ZINC000095402973 203730903 /nfs/dbraw/zinc/73/09/03/203730903.db2.gz WEWZZJOGAFJUHQ-UHFFFAOYSA-N 0 0 344.371 1.534 50 5 EDBARN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ncnc4[nH]ccc43)C2)nc1 ZINC000095433690 203741313 /nfs/dbraw/zinc/74/13/13/203741313.db2.gz QQWFZLILHAQEOE-JTQLQIEISA-N 0 0 325.332 1.952 50 5 EDBARN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)c1c(F)cccc1C(N)=O ZINC000095468121 203748467 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O=C(NCc1ccccn1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000005800738 440969925 /nfs/dbraw/zinc/96/99/25/440969925.db2.gz CMUZELHSDRBTCG-UHFFFAOYSA-N 0 0 327.300 1.758 50 5 EDBARN O=C(CNC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc(F)c(F)c1 ZINC000006934994 441026884 /nfs/dbraw/zinc/02/68/84/441026884.db2.gz PVBTUBDAVDCNLG-UHFFFAOYSA-N 0 0 325.227 1.835 50 5 EDBARN Cn1ccnc1[C@@](O)(CCNc1c([N+](=O)[O-])ncn1C)C(F)(F)F ZINC000045802427 441039061 /nfs/dbraw/zinc/03/90/61/441039061.db2.gz IKOSIACEYGRBJV-NSHDSACASA-N 0 0 348.285 1.314 50 5 EDBARN O=C(c1ccccc1)c1ccc(N2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000007984905 441077809 /nfs/dbraw/zinc/07/78/09/441077809.db2.gz LPSWZZGFQLAMRU-UHFFFAOYSA-N 0 0 325.324 1.762 50 5 EDBARN O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000058357048 441185359 /nfs/dbraw/zinc/18/53/59/441185359.db2.gz KLAJQUAOGBACOJ-STQMWFEESA-N 0 0 348.355 1.245 50 5 EDBARN Cc1[nH]nc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1[N+](=O)[O-] ZINC000058084231 441151434 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O=[N+]([O-])c1cnc(N2CCC[C@@H]2CN2CCOCC2)c(Cl)c1 ZINC000160409548 441879739 /nfs/dbraw/zinc/87/97/39/441879739.db2.gz IVHXHGQYZSYRRE-LLVKDONJSA-N 0 0 326.784 1.944 50 5 EDBARN O=C1CCC(=O)N1CCNc1ccc([N+](=O)[O-])cc1Br ZINC000078931079 441994954 /nfs/dbraw/zinc/99/49/54/441994954.db2.gz BXGQBUDQFSFOAF-UHFFFAOYSA-N 0 0 342.149 1.918 50 5 EDBARN CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000097051751 442160949 /nfs/dbraw/zinc/16/09/49/442160949.db2.gz FPVWXXGWQCSUTM-CYBMUJFWSA-N 0 0 327.406 1.417 50 5 EDBARN Nc1c(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000176313195 442208412 /nfs/dbraw/zinc/20/84/12/442208412.db2.gz LWFXPKDQHMDNGP-HNNXBMFYSA-N 0 0 340.339 1.490 50 5 EDBARN Cn1nnnc1-c1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000172716842 442525571 /nfs/dbraw/zinc/52/55/71/442525571.db2.gz BDFSWURSRFTWPK-UHFFFAOYSA-N 0 0 338.327 1.967 50 5 EDBARN C[S@@](=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000188274727 442732309 /nfs/dbraw/zinc/73/23/09/442732309.db2.gz OXWBZFBKOAIZEH-HSZRJFAPSA-N 0 0 333.369 1.844 50 5 EDBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCn2nnc(CO)c2C1 ZINC000408518728 447673056 /nfs/dbraw/zinc/67/30/56/447673056.db2.gz XBBVSEDPWXJCDW-UHFFFAOYSA-N 0 0 343.265 1.718 50 5 EDBARN CNS(=O)(=O)c1ccc(N2CC(OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000864092744 596753630 /nfs/dbraw/zinc/75/36/30/596753630.db2.gz WERMAYOGBUFPQK-UHFFFAOYSA-N 0 0 329.378 1.117 50 5 EDBARN COCC1=Nc2ncnn2[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC ZINC000004716189 210258000 /nfs/dbraw/zinc/25/80/00/210258000.db2.gz JMLSIIAHPHXRLO-CYBMUJFWSA-N 0 0 345.315 1.275 50 5 EDBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)NC1CCCCC1 ZINC000004412241 210189268 /nfs/dbraw/zinc/18/92/68/210189268.db2.gz XBKFKPQWMNDPQE-UHFFFAOYSA-N 0 0 330.344 1.754 50 5 EDBARN O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1cnc2n(c1=O)CCS2 ZINC000004089037 210117500 /nfs/dbraw/zinc/11/75/00/210117500.db2.gz UDMHYRRYYSCDAP-UHFFFAOYSA-N 0 0 336.304 1.649 50 5 EDBARN COC(=O)C[C@H]1SC(=O)N(CNc2ccc([N+](=O)[O-])cc2)C1=O ZINC000003904151 210088746 /nfs/dbraw/zinc/08/87/46/210088746.db2.gz JBPITLXHUZTIIP-SNVBAGLBSA-N 0 0 339.329 1.591 50 5 EDBARN O=[N+]([O-])c1cccc(OC[C@H](O)Cn2nnnc2-c2ccccn2)c1 ZINC000066738489 215074265 /nfs/dbraw/zinc/07/42/65/215074265.db2.gz JFJBPSQJZLUCGC-GFCCVEGCSA-N 0 0 342.315 1.083 50 5 EDBARN Cc1nn(C)c(=O)c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1C ZINC000068184960 215287600 /nfs/dbraw/zinc/28/76/00/215287600.db2.gz KQBXEUXGSBOFNL-UHFFFAOYSA-N 0 0 346.343 1.114 50 5 EDBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000104116618 219348557 /nfs/dbraw/zinc/34/85/57/219348557.db2.gz WRYRTBWENWBYSN-DMTLFAOVSA-N 0 0 329.312 1.014 50 5 EDBARN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc(Br)cc1 ZINC000069531079 215462603 /nfs/dbraw/zinc/46/26/03/215462603.db2.gz VIXQHACIRLCFNP-UHFFFAOYSA-N 0 0 339.149 1.870 50 5 EDBARN NC(=O)NC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000080230254 283306321 /nfs/dbraw/zinc/30/63/21/283306321.db2.gz NZJOSZKZYATNOS-UHFFFAOYSA-N 0 0 344.169 1.389 50 5 EDBARN O=c1cc2c(nn1C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000072059031 216000583 /nfs/dbraw/zinc/00/05/83/216000583.db2.gz LXADVZYWRBSGQW-ZDUSSCGKSA-N 0 0 331.328 1.080 50 5 EDBARN Nc1nc(Nc2cccc(F)c2)nc(N2CCOCC2)c1[N+](=O)[O-] ZINC000009361021 283691000 /nfs/dbraw/zinc/69/10/00/283691000.db2.gz UDOCUARDSMBGAG-UHFFFAOYSA-N 0 0 334.311 1.686 50 5 EDBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCn3ncnc32)c(Cl)c1 ZINC000078556771 217077777 /nfs/dbraw/zinc/07/77/77/217077777.db2.gz ZFYITPABHQZLDN-UHFFFAOYSA-N 0 0 343.752 1.439 50 5 EDBARN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000078986995 217166734 /nfs/dbraw/zinc/16/67/34/217166734.db2.gz CUIBGZZTKOEGGX-JTQLQIEISA-N 0 0 345.277 1.417 50 5 EDBARN Cn1cc(C[C@@H]2CC(=O)N(Cc3c(F)cccc3[N+](=O)[O-])C2=O)cn1 ZINC000078964954 217158928 /nfs/dbraw/zinc/15/89/28/217158928.db2.gz GQAFYDCXZQOHPZ-LLVKDONJSA-N 0 0 346.318 1.585 50 5 EDBARN Cc1cccc(C)c1-n1nnnc1Cn1cccc([N+](=O)[O-])c1=O ZINC000078979184 217162647 /nfs/dbraw/zinc/16/26/47/217162647.db2.gz FIPPGIGLPUMKOB-UHFFFAOYSA-N 0 0 326.316 1.397 50 5 EDBARN CS(=O)(=O)c1nc2ccccc2n1CCn1ccc([N+](=O)[O-])n1 ZINC000079001414 217171085 /nfs/dbraw/zinc/17/10/85/217171085.db2.gz IWUACJWFSVBCGE-UHFFFAOYSA-N 0 0 335.345 1.245 50 5 EDBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000096417262 218779568 /nfs/dbraw/zinc/77/95/68/218779568.db2.gz DESJYPWNKPHOJT-UHFFFAOYSA-N 0 0 341.249 1.861 50 5 EDBARN CCCn1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cn1 ZINC000097081273 218942407 /nfs/dbraw/zinc/94/24/07/218942407.db2.gz QHTROAZVGKMDLD-UHFFFAOYSA-N 0 0 344.375 1.559 50 5 EDBARN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000004834403 210292141 /nfs/dbraw/zinc/29/21/41/210292141.db2.gz JCQZUSSIMDKJFF-UHFFFAOYSA-N 0 0 349.368 1.854 50 5 EDBARN C[C@H](CC1CC1)NC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000247135474 257943989 /nfs/dbraw/zinc/94/39/89/257943989.db2.gz XODKOTKLDHCKSS-KMUNFCNLSA-N 0 0 337.376 1.477 50 5 EDBARN Cn1cc([C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2(C)C)cn1 ZINC000328597160 258041823 /nfs/dbraw/zinc/04/18/23/258041823.db2.gz FBEBMQVDVOFQQR-ZDUSSCGKSA-N 0 0 332.364 1.177 50 5 EDBARN Cc1ccc(N2CCCN(c3cc(N)ccc3[N+](=O)[O-])CC2)nn1 ZINC000193467018 292130089 /nfs/dbraw/zinc/13/00/89/292130089.db2.gz KEYPCHACTFONOH-UHFFFAOYSA-N 0 0 328.376 1.992 50 5 EDBARN CCOC(=O)c1ccnc(N(C)[C@@H](C)C(=O)OCC)c1[N+](=O)[O-] ZINC000079111655 285967342 /nfs/dbraw/zinc/96/73/42/285967342.db2.gz PEPFSTGSRBZPOO-VIFPVBQESA-N 0 0 325.321 1.554 50 5 EDBARN C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CCN(C)CC3)n2)C1 ZINC000005050576 278884981 /nfs/dbraw/zinc/88/49/81/278884981.db2.gz HFYLUMZDQLOWSC-VXGBXAGGSA-N 0 0 349.439 1.201 50 5 EDBARN CC[C@@H](C)n1c(=N)c(C(=O)NC)cc2c1nc1ccc(C)cn1c2=O ZINC000100961193 280131195 /nfs/dbraw/zinc/13/11/95/280131195.db2.gz VADCGJIIIBJARL-LLVKDONJSA-N 0 0 339.399 1.768 50 5 EDBARN COc1ccc(CCNC(=O)Cn2c(C)ncc2[N+](=O)[O-])cc1OC ZINC000000104229 440798829 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341.323 1.637 50 5 EDBARN COc1ccc(OCn2nnc3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000007441729 441051174 /nfs/dbraw/zinc/05/11/74/441051174.db2.gz CJKDNAMLTNELND-UHFFFAOYSA-N 0 0 328.284 1.745 50 5 EDBARN Cc1nn(CCC(=O)NC(=O)NCc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000008726183 441098526 /nfs/dbraw/zinc/09/85/26/441098526.db2.gz UOXBWOXGSHEUBP-UHFFFAOYSA-N 0 0 345.359 1.824 50 5 EDBARN O=C(CN(C(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1)N1CCCCC1 ZINC000071894263 441186926 /nfs/dbraw/zinc/18/69/26/441186926.db2.gz DAHHLNBPEYWVAW-HUUCEWRRSA-N 0 0 331.372 1.697 50 5 EDBARN Cc1ccc(C(=O)N(C)C)cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000047022156 441148813 /nfs/dbraw/zinc/14/88/13/441148813.db2.gz VITPKIJOCYSMDI-UHFFFAOYSA-N 0 0 331.332 1.440 50 5 EDBARN COc1ccc(C(=O)N2CCC(C(=O)NC(C)C)CC2)cc1[N+](=O)[O-] ZINC000058136102 441152868 /nfs/dbraw/zinc/15/28/68/441152868.db2.gz LXJVFZZUZIJXMM-UHFFFAOYSA-N 0 0 349.387 1.980 50 5 EDBARN COc1ccc(OC)c2c1CN(Cn1cc([N+](=O)[O-])cn1)C[C@@H]2O ZINC000058158666 441154855 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CCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000069350433 215384548 /nfs/dbraw/zinc/38/45/48/215384548.db2.gz HBALBSHVBUYYHY-UHFFFAOYSA-N 0 0 343.405 1.320 50 5 EDBARN CCOc1ncccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000040501654 213324777 /nfs/dbraw/zinc/32/47/77/213324777.db2.gz IOXPILCHVCXMHF-UHFFFAOYSA-N 0 0 337.357 1.867 50 5 EDBARN COc1ccc(CNC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1OC ZINC000001432156 209748700 /nfs/dbraw/zinc/74/87/00/209748700.db2.gz DYPDBDUKDTTXHJ-UHFFFAOYSA-N 0 0 334.332 1.433 50 5 EDBARN COC(=O)c1cc(C)nc(NCc2ccc(C(N)=O)o2)c1[N+](=O)[O-] ZINC000252503042 243827790 /nfs/dbraw/zinc/82/77/90/243827790.db2.gz UXSHOPUWJXKNSM-UHFFFAOYSA-N 0 0 334.288 1.389 50 5 EDBARN COC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[nH][nH]c2C[C@@]1(C)O ZINC000020442605 212128955 /nfs/dbraw/zinc/12/89/55/212128955.db2.gz DSZPTZIVEZYESI-DETPVDSQSA-N 0 0 347.327 1.252 50 5 EDBARN COC(=O)[C@H](C)N(CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000069704688 284260470 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Cc1c(NC(=O)CN2CCN(C(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000012770112 441142734 /nfs/dbraw/zinc/14/27/34/441142734.db2.gz IKJFHUXGYILFEY-UHFFFAOYSA-N 0 0 346.387 1.396 50 5 EDBARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1C[C@H]1[N+](=O)[O-])CC3 ZINC000047298711 441174588 /nfs/dbraw/zinc/17/45/88/441174588.db2.gz ZKCLSLFYHBOXBA-XHDPSFHLSA-N 0 0 343.339 1.504 50 5 EDBARN O=C(NCCNS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000012931974 441148905 /nfs/dbraw/zinc/14/89/05/441148905.db2.gz OKEVCGLIAWBPAO-UHFFFAOYSA-N 0 0 349.368 1.303 50 5 EDBARN Cn1cc(/C=C\C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000104160653 441191369 /nfs/dbraw/zinc/19/13/69/441191369.db2.gz HWICVBFWVXTEKY-JLIVMUMWSA-N 0 0 342.359 1.450 50 5 EDBARN Cc1n[nH]c(C(=O)NC[C@H](O)c2c(F)cccc2F)c1[N+](=O)[O-] ZINC000072294104 441223992 /nfs/dbraw/zinc/22/39/92/441223992.db2.gz KFMRAGSLMKYVLZ-VIFPVBQESA-N 0 0 326.259 1.368 50 5 EDBARN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCOCC1 ZINC000016642872 441229587 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O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nn[nH]n1 ZINC000089773103 441577079 /nfs/dbraw/zinc/57/70/79/441577079.db2.gz GGHIFQYKAGOONC-UHFFFAOYSA-N 0 0 327.098 1.052 50 5 EDBARN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCc2cnn(C)c2)c1 ZINC000095986251 441971298 /nfs/dbraw/zinc/97/12/98/441971298.db2.gz TWJMRVZCWUOHBG-UHFFFAOYSA-N 0 0 344.780 1.769 50 5 EDBARN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC(=O)NC1 ZINC000079111063 442020147 /nfs/dbraw/zinc/02/01/47/442020147.db2.gz MYTNUIPOBHBGFM-MRVPVSSYSA-N 0 0 347.780 1.114 50 5 EDBARN CCO[C@@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C12CCCC2 ZINC000096432510 442128800 /nfs/dbraw/zinc/12/88/00/442128800.db2.gz GSAZDOWABBISQM-CHWSQXEVSA-N 0 0 336.392 1.954 50 5 EDBARN NS(=O)(=O)c1cccc(N2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000097234723 442189593 /nfs/dbraw/zinc/18/95/93/442189593.db2.gz TVTJTVOJMGDQMW-UHFFFAOYSA-N 0 0 339.398 1.866 50 5 EDBARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000096902028 442150720 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O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCCc3n[nH]cc32)cc1 ZINC000225389759 443100392 /nfs/dbraw/zinc/10/03/92/443100392.db2.gz XJUZWBXZKWCMPR-UHFFFAOYSA-N 0 0 336.373 1.643 50 5 EDBARN O=C1CC2(CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2)NCCN1 ZINC000585136490 448706248 /nfs/dbraw/zinc/70/62/48/448706248.db2.gz IDHDEGZURSKEBD-UHFFFAOYSA-N 0 0 345.186 1.570 50 5 EDBARN NC(=O)c1ccc(CNc2ccc(-n3nccn3)cc2)c([N+](=O)[O-])c1 ZINC000055843987 214344128 /nfs/dbraw/zinc/34/41/28/214344128.db2.gz PPSUXXRGPXAWER-UHFFFAOYSA-N 0 0 338.327 1.887 50 5 EDBARN COc1cc(C(=O)O[C@H](C)C(=O)NC2CC2)c([N+](=O)[O-])cc1OC ZINC000004581164 210226539 /nfs/dbraw/zinc/22/65/39/210226539.db2.gz SHCLDQSNYOQISE-MRVPVSSYSA-N 0 0 338.316 1.436 50 5 EDBARN Cc1ccc(Nc2nc(NCCOCCO)nc(N)c2[N+](=O)[O-])cc1 ZINC000004305887 210165161 /nfs/dbraw/zinc/16/51/61/210165161.db2.gz ZZCMJNYKMCTJGV-UHFFFAOYSA-N 0 0 348.363 1.440 50 5 EDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(N)n[nH]1 ZINC000003466495 210047947 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ZINC000008744515 277207655 /nfs/dbraw/zinc/20/76/55/277207655.db2.gz JCGYWNDWSXEVJI-AWEZNQCLSA-N 0 0 334.357 1.287 50 5 EDBARN COc1ccc(Cl)cc1S(=O)(=O)n1c(C)ncc1[N+](=O)[O-] ZINC000000053220 277904966 /nfs/dbraw/zinc/90/49/66/277904966.db2.gz MYIYCOHOOHWYGR-UHFFFAOYSA-N 0 0 331.737 1.999 50 5 EDBARN C[S@](=O)c1nncn1-c1ccc(Br)cc1[N+](=O)[O-] ZINC000069894093 278574520 /nfs/dbraw/zinc/57/45/20/278574520.db2.gz PBPNZPWNCCUVGG-GOSISDBHSA-N 0 0 331.151 1.675 50 5 EDBARN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC1=O ZINC000003510544 440903172 /nfs/dbraw/zinc/90/31/72/440903172.db2.gz LFBCKRGEOUOUEG-UHFFFAOYSA-N 0 0 326.692 1.554 50 5 EDBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NC1CC1 ZINC000005280641 440946161 /nfs/dbraw/zinc/94/61/61/440946161.db2.gz RNYFNKABTXVSDQ-UHFFFAOYSA-N 0 0 337.332 1.089 50 5 EDBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-n2cnnn2)cc1 ZINC000006287552 440986100 /nfs/dbraw/zinc/98/61/00/440986100.db2.gz LFIDUXJZHPIWLY-UHFFFAOYSA-N 0 0 340.299 1.588 50 5 EDBARN CC[N+](CC)(CC)CCNC(=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000005884574 440973196 /nfs/dbraw/zinc/97/31/96/440973196.db2.gz JOYYXHZSLCDHGR-UHFFFAOYSA-O 0 0 332.424 1.840 50 5 EDBARN CC(=O)N1CCC(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000008146387 441084224 /nfs/dbraw/zinc/08/42/24/441084224.db2.gz GBPMNMBOBXEWPG-UHFFFAOYSA-N 0 0 334.376 1.381 50 5 EDBARN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1C[C@H](C)O[C@@H](C)C1 ZINC000058413170 441192838 /nfs/dbraw/zinc/19/28/38/441192838.db2.gz ZGQWOVLSLRUZMK-IUCAKERBSA-N 0 0 339.304 1.903 50 5 EDBARN O=[N+]([O-])c1cc(F)ccc1NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000058427876 441194087 /nfs/dbraw/zinc/19/40/87/441194087.db2.gz RZQQFHLTXRPPDW-WBMJQRKESA-N 0 0 339.367 1.883 50 5 EDBARN CCC(=O)NC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048272288 441282101 /nfs/dbraw/zinc/28/21/01/441282101.db2.gz NVQLMSIIAMYGGQ-UHFFFAOYSA-N 0 0 331.376 1.893 50 5 EDBARN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCc2sccc2C1 ZINC000032429617 441556383 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50 5 EDBARN CCS(=O)(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000192657042 442673609 /nfs/dbraw/zinc/67/36/09/442673609.db2.gz QIPYJOGALPBYEZ-UHFFFAOYSA-N 0 0 347.418 1.200 50 5 EDBARN CN(CCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000253417313 443061774 /nfs/dbraw/zinc/06/17/74/443061774.db2.gz RFCONUUHVUEUQL-MRXNPFEDSA-N 0 0 343.387 1.608 50 5 EDBARN Cc1cccc(N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1[N+](=O)[O-] ZINC000225459883 443105320 /nfs/dbraw/zinc/10/53/20/443105320.db2.gz NRKDRNWZAHEAAW-CYBMUJFWSA-N 0 0 339.417 1.908 50 5 EDBARN COC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(=O)[nH][nH]c2C[C@]1(C)O ZINC000245257696 443220103 /nfs/dbraw/zinc/22/01/03/443220103.db2.gz DDLDWBKOLYQKJQ-RBOXIYTFSA-N 0 0 347.327 1.252 50 5 EDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C(=O)NCCF ZINC000282622891 443391220 /nfs/dbraw/zinc/39/12/20/443391220.db2.gz YBWVIDXJRUTTEW-MRVPVSSYSA-N 0 0 328.300 1.199 50 5 EDBARN COc1ccc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)cc1[N+](=O)[O-] ZINC000390834152 447501779 /nfs/dbraw/zinc/50/17/79/447501779.db2.gz SWIKZQOSAVRVCV-UHFFFAOYSA-N 0 0 349.328 1.676 50 5 EDBARN COCCOCCN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000585090427 448674204 /nfs/dbraw/zinc/67/42/04/448674204.db2.gz MSXKNJMEDMGHSE-UHFFFAOYSA-N 0 0 344.799 1.428 50 5 EDBARN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000032809028 534761129 /nfs/dbraw/zinc/76/11/29/534761129.db2.gz AWAMHBMNYPLYLP-CYBMUJFWSA-N 0 0 346.343 1.447 50 5 EDBARN COc1cc([N+](=O)[O-])cnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC000863949093 596725428 /nfs/dbraw/zinc/72/54/28/596725428.db2.gz GQWCCFSIIZJKMQ-CYBMUJFWSA-N 0 0 336.392 1.547 50 5 EDBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000054418112 214236992 /nfs/dbraw/zinc/23/69/92/214236992.db2.gz WHGSWNPCSZMQTA-SNVBAGLBSA-N 0 0 342.359 1.758 50 5 EDBARN COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055246134 214295178 /nfs/dbraw/zinc/29/51/78/214295178.db2.gz HKRZHNFMSBWDIT-JTQLQIEISA-N 0 0 330.362 1.333 50 5 EDBARN C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000066579447 215056158 /nfs/dbraw/zinc/05/61/58/215056158.db2.gz FLKLJNUVGVPSID-QMMMGPOBSA-N 0 0 345.768 1.207 50 5 EDBARN O=C(NCCS(=O)(=O)NCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000068496808 215313218 /nfs/dbraw/zinc/31/32/18/215313218.db2.gz HPXWRHFGGAIEHO-UHFFFAOYSA-N 0 0 341.389 1.044 50 5 EDBARN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000001018012 209701079 /nfs/dbraw/zinc/70/10/79/209701079.db2.gz LFYAANHQVDJZRE-UHFFFAOYSA-N 0 0 331.210 1.724 50 5 EDBARN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1N ZINC000034929151 213000971 /nfs/dbraw/zinc/00/09/71/213000971.db2.gz GQSMYGNTWOFQOW-UHFFFAOYSA-N 0 0 348.315 1.716 50 5 EDBARN O=C(NCC(F)(F)F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005094425 283945464 /nfs/dbraw/zinc/94/54/64/283945464.db2.gz XKOPJJLVGVRVME-UHFFFAOYSA-N 0 0 333.266 1.724 50 5 EDBARN COC(=O)[C@@H]1C[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)N2CCC[C@H]12 ZINC000034929112 284169690 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CC(C)(C)NC(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000089643085 217823268 /nfs/dbraw/zinc/82/32/68/217823268.db2.gz RFIAZLLPUOLXHA-UHFFFAOYSA-N 0 0 332.154 1.434 50 5 EDBARN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000010331208 211165889 /nfs/dbraw/zinc/16/58/89/211165889.db2.gz VTYYBXPPXDUQDM-CYBMUJFWSA-N 0 0 346.343 1.545 50 5 EDBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N(CCO)CCOCCO ZINC000408521210 250301965 /nfs/dbraw/zinc/30/19/65/250301965.db2.gz LSZFYLXZRUWRQJ-UHFFFAOYSA-N 0 0 338.282 1.421 50 5 EDBARN Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)on1 ZINC000095414829 218353194 /nfs/dbraw/zinc/35/31/94/218353194.db2.gz FCWVVKAJELJBLF-UHFFFAOYSA-N 0 0 331.332 1.557 50 5 EDBARN CCS(=O)(=O)c1ccc2oc(Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000095425861 218367901 /nfs/dbraw/zinc/36/79/01/218367901.db2.gz WVQCKCWEBVWNLB-UHFFFAOYSA-N 0 0 336.329 1.774 50 5 EDBARN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ncnc4[nH]ccc43)C2)nc1 ZINC000095433689 218376372 /nfs/dbraw/zinc/37/63/72/218376372.db2.gz 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328.328 1.940 50 5 EDBARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000101407239 219126202 /nfs/dbraw/zinc/12/62/02/219126202.db2.gz PGLWQHOTONSOIJ-OKILXGFUSA-N 0 0 343.339 1.875 50 5 EDBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc3c2OCO3)s1 ZINC000066001450 215003273 /nfs/dbraw/zinc/00/32/73/215003273.db2.gz OFJCGNCKAAFHBF-UHFFFAOYSA-N 0 0 342.354 1.864 50 5 EDBARN COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000002779481 209910237 /nfs/dbraw/zinc/91/02/37/209910237.db2.gz XYXYDSXHWSNXON-NSHDSACASA-N 0 0 325.277 1.430 50 5 EDBARN Nc1ccc(C(=O)NCc2n[nH]cc2Br)cc1[N+](=O)[O-] ZINC000069565350 215475085 /nfs/dbraw/zinc/47/50/85/215475085.db2.gz XEJJEHVMGJJRGJ-UHFFFAOYSA-N 0 0 340.137 1.593 50 5 EDBARN COCCCn1ccc2nc3ccn(CCOC)c(=O)c3cc2c1=O ZINC000036354080 213087874 /nfs/dbraw/zinc/08/78/74/213087874.db2.gz QTNLZRRVEOJOBD-UHFFFAOYSA-N 0 0 343.383 1.394 50 5 EDBARN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC(C)(C)O)C1CC1 ZINC000188042353 236399430 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CC[C@@H]1C(=O)NCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000096466151 442138880 /nfs/dbraw/zinc/13/88/80/442138880.db2.gz PXFVALGUPMWLNH-SECBINFHSA-N 0 0 329.154 1.467 50 5 EDBARN CCc1nnc(NC(=O)c2c[nH]c(-c3cccc([N+](=O)[O-])c3)n2)[nH]1 ZINC000097096092 442166498 /nfs/dbraw/zinc/16/64/98/442166498.db2.gz HGXHBKKHSUICKF-UHFFFAOYSA-N 0 0 327.304 1.918 50 5 EDBARN COc1cccc(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171990502 442396809 /nfs/dbraw/zinc/39/68/09/442396809.db2.gz LFYFRKNSXCIMOJ-UHFFFAOYSA-N 0 0 328.284 1.863 50 5 EDBARN COc1ccc(OCCn2nnc3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000133768932 442433366 /nfs/dbraw/zinc/43/33/66/442433366.db2.gz QRHXJNFYGULPNO-UHFFFAOYSA-N 0 0 342.311 1.787 50 5 EDBARN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@@H](c2ccccc2)C1 ZINC000253424796 443065460 /nfs/dbraw/zinc/06/54/60/443065460.db2.gz GLLCSBRQLZREML-CQSZACIVSA-N 0 0 328.328 1.667 50 5 EDBARN Cn1cc(S(=O)(=O)Oc2cccc3cccnc32)c([N+](=O)[O-])n1 ZINC000084314137 486256494 /nfs/dbraw/zinc/25/64/94/486256494.db2.gz 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ZINC000022130849 212278364 /nfs/dbraw/zinc/27/83/64/212278364.db2.gz DHQHOTUZYHHJPF-HNNXBMFYSA-N 0 0 332.360 1.337 50 5 EDBARN Cc1nc(CC(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])cs1 ZINC000021761122 212247649 /nfs/dbraw/zinc/24/76/49/212247649.db2.gz FXSCFZHWNMDFSG-UHFFFAOYSA-N 0 0 335.341 1.745 50 5 EDBARN CCCc1n[nH]c(C(=O)NCCc2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000078772487 217117527 /nfs/dbraw/zinc/11/75/27/217117527.db2.gz GYGSAZHHOSZJJO-UHFFFAOYSA-N 0 0 346.343 1.972 50 5 EDBARN C[C@H]1CN(C)c2ccccc2N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000110645863 220051286 /nfs/dbraw/zinc/05/12/86/220051286.db2.gz METSTFIRNORPDC-DZGCQCFKSA-N 0 0 345.403 1.745 50 5 EDBARN Cn1cc(N2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2=O)cn1 ZINC000093530350 218229234 /nfs/dbraw/zinc/22/92/34/218229234.db2.gz CVCDQOPIBKEQGM-GQCTYLIASA-N 0 0 341.371 1.690 50 5 EDBARN O=C1CCC(=O)N1CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000095421337 218363297 /nfs/dbraw/zinc/36/32/97/218363297.db2.gz NPBXLBCKDYQWNH-UHFFFAOYSA-N 0 0 342.149 1.918 50 5 EDBARN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1c2ccccc2C[C@@H]1O ZINC000095429932 218372756 /nfs/dbraw/zinc/37/27/56/218372756.db2.gz HBBHRXCVZGMRPJ-DOTOQJQBSA-N 0 0 327.340 1.781 50 5 EDBARN CCCCOCCNC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 ZINC000095481789 218411346 /nfs/dbraw/zinc/41/13/46/218411346.db2.gz DWZWUKGXLJHFNC-UHFFFAOYSA-N 0 0 327.362 1.450 50 5 EDBARN CNS(=O)(=O)c1ccc(NCCCOCC2CC2)c([N+](=O)[O-])c1 ZINC000007366872 210788946 /nfs/dbraw/zinc/78/89/46/210788946.db2.gz GHQQLDGWCRPHMH-UHFFFAOYSA-N 0 0 343.405 1.732 50 5 EDBARN Cc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000006552562 210652242 /nfs/dbraw/zinc/65/22/42/210652242.db2.gz HYGHOOQZXAGNIH-UHFFFAOYSA-N 0 0 335.341 1.803 50 5 EDBARN CCCc1n[nH]c(C(=O)N[C@@H]2CCCn3nc(CC)nc32)c1[N+](=O)[O-] ZINC000096495138 218872854 /nfs/dbraw/zinc/87/28/54/218872854.db2.gz QVEPPQYNLBEKPQ-SNVBAGLBSA-N 0 0 347.379 1.689 50 5 EDBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(CCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000038142899 285097780 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EDBARN CCS(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000008477134 441093698 /nfs/dbraw/zinc/09/36/98/441093698.db2.gz CVMBBZFNJNASPS-UHFFFAOYSA-N 0 0 341.389 1.595 50 5 EDBARN O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000071896254 441188138 /nfs/dbraw/zinc/18/81/38/441188138.db2.gz BWQYTJJCAOPJMH-UHFFFAOYSA-N 0 0 342.290 1.844 50 5 EDBARN CCNC(=O)[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047864936 441231254 /nfs/dbraw/zinc/23/12/54/441231254.db2.gz RCJKSQHVOUIQAY-ZETCQYMHSA-N 0 0 346.290 1.842 50 5 EDBARN Cc1cc(S(=O)(=O)NC[C@@H](C)Cn2cccn2)ccc1[N+](=O)[O-] ZINC000071909100 441192928 /nfs/dbraw/zinc/19/29/28/441192928.db2.gz MQUFDRXOXDTNIK-LLVKDONJSA-N 0 0 338.389 1.714 50 5 EDBARN O=C([C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1)N1CCSCC1 ZINC000020649466 441266039 /nfs/dbraw/zinc/26/60/39/441266039.db2.gz HQVYJHVPLKXUFL-LBPRGKRZSA-N 0 0 336.417 1.782 50 5 EDBARN Cn1cc(N2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)cn1 ZINC000074395752 441430892 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Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000195566536 443032615 /nfs/dbraw/zinc/03/26/15/443032615.db2.gz PTCFWBAOVJNWPZ-MRVPVSSYSA-N 0 0 332.282 1.543 50 5 EDBARN CCc1nnc(CN2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000195566886 443033009 /nfs/dbraw/zinc/03/30/09/443033009.db2.gz BXMZGUJAQOABKM-UHFFFAOYSA-N 0 0 344.375 1.233 50 5 EDBARN COCc1noc(CN2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)n1 ZINC000275841019 443643989 /nfs/dbraw/zinc/64/39/89/443643989.db2.gz PXTRAYKOHPCQJB-UHFFFAOYSA-N 0 0 347.375 1.755 50 5 EDBARN CN1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000408516256 447669552 /nfs/dbraw/zinc/66/95/52/447669552.db2.gz MPDOFISJOXHQKT-UHFFFAOYSA-N 0 0 341.433 1.395 50 5 EDBARN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2cccnc2)C1 ZINC000585134598 448705616 /nfs/dbraw/zinc/70/56/16/448705616.db2.gz BLAJVCLPACSJCN-GFCCVEGCSA-N 0 0 327.344 1.868 50 5 EDBARN O=C(CNC(=O)COc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 ZINC000003515386 526832503 /nfs/dbraw/zinc/83/25/03/526832503.db2.gz HJSBLILJEDVLIH-UHFFFAOYSA-N 0 0 347.302 1.868 50 5 EDBARN Cc1nc(NCC[C@@]2(O)C(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC000877870859 597561381 /nfs/dbraw/zinc/56/13/81/597561381.db2.gz HDZPCCVVWWFEJG-INIZCTEOSA-N 0 0 328.328 1.940 50 5 EDBARN CCCN(CC(=O)OC)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000056057074 214355244 /nfs/dbraw/zinc/35/52/44/214355244.db2.gz ZZNRMSGRRINKJB-UHFFFAOYSA-N 0 0 330.362 1.477 50 5 EDBARN Cc1nn(CC(=O)NCc2nc3ccccc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000004625734 210233948 /nfs/dbraw/zinc/23/39/48/210233948.db2.gz DDLCMDYKVBERGY-UHFFFAOYSA-N 0 0 328.332 1.601 50 5 EDBARN CC(C)N1C[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1=O ZINC000046167468 213788448 /nfs/dbraw/zinc/78/84/48/213788448.db2.gz WWHVWQFDFIYCCX-LBPRGKRZSA-N 0 0 334.376 1.380 50 5 EDBARN O=C(COc1ncnc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCCO1 ZINC000003445229 210041557 /nfs/dbraw/zinc/04/15/57/210041557.db2.gz BIGTXWNDHSSALO-NSHDSACASA-N 0 0 332.316 1.212 50 5 EDBARN Cn1cc([C@](C)(O)CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000104232220 219363383 /nfs/dbraw/zinc/36/33/83/219363383.db2.gz POUHSQLALAAFNM-XITLMJRVSA-N 0 0 330.344 1.365 50 5 EDBARN NS(=O)(=O)c1ccc(N[C@H]2CCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000071920581 215967332 /nfs/dbraw/zinc/96/73/32/215967332.db2.gz HHCTZNNZXZLJMF-ONGXEEELSA-N 0 0 329.378 1.205 50 5 EDBARN O=C(CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC1 ZINC000032716713 212828409 /nfs/dbraw/zinc/82/84/09/212828409.db2.gz OENJCRXUXYFCMM-UHFFFAOYSA-N 0 0 325.752 1.991 50 5 EDBARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018113474 211981679 /nfs/dbraw/zinc/98/16/79/211981679.db2.gz FCKQYZHYQLZHRE-STQMWFEESA-N 0 0 331.328 1.709 50 5 EDBARN O=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2N1 ZINC000007378318 284820638 /nfs/dbraw/zinc/82/06/38/284820638.db2.gz GJCGFTMUMFFKIH-UHFFFAOYSA-N 0 0 333.325 1.742 50 5 EDBARN O=C1c2cccc3cccc(c23)N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000096435707 218814589 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CC(C)[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000225837949 242056727 /nfs/dbraw/zinc/05/67/27/242056727.db2.gz GUAUOHJMAIWGJY-GFCCVEGCSA-N 0 0 331.332 1.770 50 5 EDBARN COc1nn(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000013960120 211661872 /nfs/dbraw/zinc/66/18/72/211661872.db2.gz VGSDUKOYHPUFRH-UHFFFAOYSA-N 0 0 335.276 1.737 50 5 EDBARN O=C(OC[C@@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000012174213 211310806 /nfs/dbraw/zinc/31/08/06/211310806.db2.gz CTDJVXKTFRESFV-QMMMGPOBSA-N 0 0 344.301 1.095 50 5 EDBARN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCN(CC(F)(F)F)C1 ZINC000408518407 250299775 /nfs/dbraw/zinc/29/97/75/250299775.db2.gz GCCUYPAVQPCBBZ-SNVBAGLBSA-N 0 0 349.313 1.182 50 5 EDBARN O=C(Cn1ccnn1)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000095991449 218498020 /nfs/dbraw/zinc/49/80/20/218498020.db2.gz RUFJTRHSSRCNTA-UHFFFAOYSA-N 0 0 326.110 1.588 50 5 EDBARN COc1ccc(CCNC(=O)c2noc(C)c2[N+](=O)[O-])cc1OC ZINC000004937428 210329897 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O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1C1CC1 ZINC000170594689 534395122 /nfs/dbraw/zinc/39/51/22/534395122.db2.gz YJGJRTGXQGVIET-KGLIPLIRSA-N 0 0 338.385 1.531 50 5 EDBARN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccn(Cc2ccccc2F)n1 ZINC000002739349 527379734 /nfs/dbraw/zinc/37/97/34/527379734.db2.gz GWEWMTQAYMBKQS-UHFFFAOYSA-N 0 0 344.306 1.814 50 5 EDBARN CCc1[nH]nc(C(=O)N2CCn3c4ccccc4nc32)c1[N+](=O)[O-] ZINC000184342611 529466524 /nfs/dbraw/zinc/46/65/24/529466524.db2.gz BQAKLMQRZNFDBC-UHFFFAOYSA-N 0 0 326.316 1.890 50 5 EDBARN CC(C)CCNC(=O)NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000003427724 210036556 /nfs/dbraw/zinc/03/65/56/210036556.db2.gz CFVAQULTFQPRIP-UHFFFAOYSA-N 0 0 327.293 1.217 50 5 EDBARN CS(=O)(=O)Cc1ccc(C(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000067168608 215120055 /nfs/dbraw/zinc/12/00/55/215120055.db2.gz DVMQYFGEQYKGPY-UHFFFAOYSA-N 0 0 335.341 1.787 50 5 EDBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)c1nccs1 ZINC000068451638 215309454 /nfs/dbraw/zinc/30/94/54/215309454.db2.gz GYRINNMRTSWGCC-SECBINFHSA-N 0 0 334.357 1.833 50 5 EDBARN O=C([C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)N1CCCCO1 ZINC000188106002 236430658 /nfs/dbraw/zinc/43/06/58/236430658.db2.gz CZJUPJHMERPMON-JTQLQIEISA-N 0 0 337.307 1.641 50 5 EDBARN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000032819556 212850471 /nfs/dbraw/zinc/85/04/71/212850471.db2.gz XRKMFJYGGKHEPO-MRXNPFEDSA-N 0 0 339.351 1.576 50 5 EDBARN CC(C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O ZINC000074950045 216539732 /nfs/dbraw/zinc/53/97/32/216539732.db2.gz KEJHEIHGQMXNTO-JTQLQIEISA-N 0 0 333.266 1.853 50 5 EDBARN COC(=O)CN1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000012523196 211397986 /nfs/dbraw/zinc/39/79/86/211397986.db2.gz HDRLELNCKKMCHD-UHFFFAOYSA-N 0 0 327.768 1.933 50 5 EDBARN CCOC(=O)c1nnsc1-c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000095079677 218273881 /nfs/dbraw/zinc/27/38/81/218273881.db2.gz XVCAOVKFYDOARP-UHFFFAOYSA-N 0 0 346.328 1.871 50 5 EDBARN Cc1nn(C)c(NCCNc2nnnn2-c2ccccc2)c1[N+](=O)[O-] ZINC000095412711 218350341 /nfs/dbraw/zinc/35/03/41/218350341.db2.gz OXFXSPDFQKUEGE-UHFFFAOYSA-N 0 0 343.351 1.136 50 5 EDBARN Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)N1N=C(C)C[C@@]1(O)C(F)F ZINC000006922286 210744923 /nfs/dbraw/zinc/74/49/23/210744923.db2.gz JWTBURMIOYXIOA-PRHODGIISA-N 0 0 331.279 1.223 50 5 EDBARN Cn1cc(N2CCC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000154051293 224195456 /nfs/dbraw/zinc/19/54/56/224195456.db2.gz RMOSPRDNENPZNH-ZDUSSCGKSA-N 0 0 329.360 1.727 50 5 EDBARN CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000012652995 258055171 /nfs/dbraw/zinc/05/51/71/258055171.db2.gz WATYJMWVZAQILO-LBPRGKRZSA-N 0 0 337.332 1.179 50 5 EDBARN Cc1cc(C)n(Cc2cccc(CNC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])c2)n1 ZINC000054031887 258060838 /nfs/dbraw/zinc/06/08/38/258060838.db2.gz HVCFGXZQISQEOM-CVEARBPZSA-N 0 0 328.372 1.830 50 5 EDBARN COc1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000271878642 140365735 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COC(=O)/C=C/c1cc(OC)c(OCC(=O)OC)cc1[N+](=O)[O-] ZINC000015109044 441196310 /nfs/dbraw/zinc/19/63/10/441196310.db2.gz JWGWTCFRPKSNFN-SNAWJCMRSA-N 0 0 325.273 1.341 50 5 EDBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000024366151 441308688 /nfs/dbraw/zinc/30/86/88/441308688.db2.gz RNWNRPGAROSBNX-AWEZNQCLSA-N 0 0 348.359 1.450 50 5 EDBARN O=C1CSC(=O)N1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025473472 441347150 /nfs/dbraw/zinc/34/71/50/441347150.db2.gz MPVSXQONLZZDBY-UHFFFAOYSA-N 0 0 336.373 1.370 50 5 EDBARN C[C@H]1CN(C(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000069532549 441968940 /nfs/dbraw/zinc/96/89/40/441968940.db2.gz QBIQTBGZEFZOOZ-NSHDSACASA-N 0 0 331.332 1.101 50 5 EDBARN CCN(CC)C(=O)[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000069434197 441935609 /nfs/dbraw/zinc/93/56/09/441935609.db2.gz OAOOOGNLFOTWTN-LBPRGKRZSA-N 0 0 348.407 1.796 50 5 EDBARN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000195577236 443033616 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Cc1nccc(N2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000183810765 534757519 /nfs/dbraw/zinc/75/75/19/534757519.db2.gz TWVIJCXZJFOGRD-UHFFFAOYSA-N 0 0 343.387 1.894 50 5 EDBARN CCOc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)Nc2cccnc2)c1 ZINC000225778008 535426823 /nfs/dbraw/zinc/42/68/23/535426823.db2.gz DXAGBYLBJGTPDI-UHFFFAOYSA-N 0 0 344.327 1.757 50 5 EDBARN C[C@@H](Cn1cccn1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000056053019 214355583 /nfs/dbraw/zinc/35/55/83/214355583.db2.gz GYFTZQTXLKEOLD-VIFPVBQESA-N 0 0 344.780 1.812 50 5 EDBARN CCN(CC)c1ccc2[nH]c3c(C(N)=O)cc(=O)c(=O)c=3oc2c1 ZINC000100323628 219096640 /nfs/dbraw/zinc/09/66/40/219096640.db2.gz KFDNYLHNDZBJDQ-UHFFFAOYSA-N 0 0 327.340 1.936 50 5 biogenic,in-vitro EDBARN CCOC(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000004294266 210162850 /nfs/dbraw/zinc/16/28/50/210162850.db2.gz NIXDQKZIOJKSKT-UHFFFAOYSA-N 0 0 342.373 1.559 50 5 EDBARN O=C(NCc1cccnc1)C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066810976 215080259 /nfs/dbraw/zinc/08/02/59/215080259.db2.gz DYXDCJPDLANBOJ-UHFFFAOYSA-N 0 0 341.371 1.918 50 5 EDBARN CN(c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000004800249 282598629 /nfs/dbraw/zinc/59/86/29/282598629.db2.gz ABGZAZGRKBMOFS-UHFFFAOYSA-N 0 0 343.239 1.918 50 5 EDBARN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000068187102 215287732 /nfs/dbraw/zinc/28/77/32/215287732.db2.gz LIWZXJYEJQGWIG-NSHDSACASA-N 0 0 333.344 1.101 50 5 EDBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(C3OCCO3)CC2)cc1 ZINC000069265295 215374331 /nfs/dbraw/zinc/37/43/31/215374331.db2.gz NLAIRBGZJMTCQU-UHFFFAOYSA-N 0 0 342.373 1.368 50 5 EDBARN Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)NCc2ccccc2)CC1 ZINC000040554993 213348990 /nfs/dbraw/zinc/34/89/90/213348990.db2.gz PPGCQMOZQUXDOC-UHFFFAOYSA-N 0 0 344.375 1.360 50 5 EDBARN COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000040040378 213253825 /nfs/dbraw/zinc/25/38/25/213253825.db2.gz SIZXWABKSULBDS-NSHDSACASA-N 0 0 328.346 1.229 50 5 EDBARN CCCNC(=O)[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000039978249 213248063 /nfs/dbraw/zinc/24/80/63/213248063.db2.gz XQZXHQAMDWQFJK-SECBINFHSA-N 0 0 339.348 1.257 50 5 EDBARN O=c1c2cc3c(ccn(Cc4cccnc4)c3=O)nc2ccn1CCO ZINC000038829159 213227092 /nfs/dbraw/zinc/22/70/92/213227092.db2.gz YKTJOPSSHSPBKQ-UHFFFAOYSA-N 0 0 348.362 1.147 50 5 EDBARN CCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000190144 209474163 /nfs/dbraw/zinc/47/41/63/209474163.db2.gz NBDYOJWEHHTQFG-GFCCVEGCSA-N 0 0 330.304 1.433 50 5 EDBARN C[C@@H](CO)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000078967953 217160405 /nfs/dbraw/zinc/16/04/05/217160405.db2.gz AZGQZWMAAKZQNC-NSHDSACASA-N 0 0 343.405 1.562 50 5 EDBARN CS(=O)(=O)c1ccc(NCCNc2ccccn2)c([N+](=O)[O-])c1 ZINC000012522608 211397388 /nfs/dbraw/zinc/39/73/88/211397388.db2.gz SZZYDSJOVRYWSJ-UHFFFAOYSA-N 0 0 336.373 1.917 50 5 EDBARN COC(=O)c1cccn2cc(Cn3cc([N+](=O)[O-])ccc3=O)nc12 ZINC000010393717 211170420 /nfs/dbraw/zinc/17/04/20/211170420.db2.gz 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CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000100295010 278225691 /nfs/dbraw/zinc/22/56/91/278225691.db2.gz PFWYAXMEENKSMR-NCOADZHNSA-N 0 0 333.340 1.813 50 5 EDBARN Cn1ccnc1CN1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000097046791 279373794 /nfs/dbraw/zinc/37/37/94/279373794.db2.gz AKLKPMUWERZJHW-UHFFFAOYSA-N 0 0 331.376 1.143 50 5 EDBARN C[C@@H]1CN(CC(=O)N2CCCc3cc([N+](=O)[O-])ccc32)[C@@H](C)CO1 ZINC000110645080 288138358 /nfs/dbraw/zinc/13/83/58/288138358.db2.gz UFNBHUWKGMVEGF-QWHCGFSZSA-N 0 0 333.388 1.983 50 5 EDBARN O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000057315411 295506737 /nfs/dbraw/zinc/50/67/37/295506737.db2.gz AIVDNHASZDUGFK-UHFFFAOYSA-N 0 0 332.404 1.729 50 5 EDBARN COC(=O)c1cc([N+](=O)[O-])cn(CCOc2ccc(F)cc2)c1=O ZINC000043928927 440810731 /nfs/dbraw/zinc/81/07/31/440810731.db2.gz XCJAHQYZYXBUBT-UHFFFAOYSA-N 0 0 336.275 1.761 50 5 EDBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2n(c1=O)CCS2 ZINC000002692960 440872096 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Cn1cc(/C=C/C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000072288665 441222217 /nfs/dbraw/zinc/22/22/17/441222217.db2.gz HWICVBFWVXTEKY-ADQTWTKMSA-N 0 0 342.359 1.450 50 5 EDBARN O=C(NCCN1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000025514986 441347883 /nfs/dbraw/zinc/34/78/83/441347883.db2.gz CCWYGDLYKDQRJH-UHFFFAOYSA-N 0 0 348.403 1.257 50 5 EDBARN CCNC(=O)CN(CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025945817 441362479 /nfs/dbraw/zinc/36/24/79/441362479.db2.gz WRYQQNGFRHDZIN-UHFFFAOYSA-N 0 0 333.348 1.603 50 5 EDBARN Cc1ncc(CN2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)s1 ZINC000114709495 441676843 /nfs/dbraw/zinc/67/68/43/441676843.db2.gz QWVASRNMFNAQAW-UHFFFAOYSA-N 0 0 336.421 1.724 50 5 EDBARN COc1cccc(-c2nnn(CCn3cc([N+](=O)[O-])ccc3=O)n2)c1 ZINC000124435222 441926203 /nfs/dbraw/zinc/92/62/03/441926203.db2.gz NVVQJTNHPBOXSZ-UHFFFAOYSA-N 0 0 342.315 1.119 50 5 EDBARN C[C@@H](c1cnn(C)c1)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000095940011 441955024 /nfs/dbraw/zinc/95/50/24/441955024.db2.gz MSXPYNLHRQBKHO-NSHDSACASA-N 0 0 338.389 1.851 50 5 EDBARN COc1ccc(NC(=O)CN2CCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000069872278 442062193 /nfs/dbraw/zinc/06/21/93/442062193.db2.gz KTMYCXIWQSRKBZ-GFCCVEGCSA-N 0 0 337.376 1.779 50 5 EDBARN O=C(NCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cccnc1 ZINC000175497347 442075727 /nfs/dbraw/zinc/07/57/27/442075727.db2.gz ZZNFTSWJYRDGFD-UHFFFAOYSA-N 0 0 348.746 1.803 50 5 EDBARN CCc1[nH]nc(C(=O)OCc2csc(NC(C)=O)n2)c1[N+](=O)[O-] ZINC000170610724 442236578 /nfs/dbraw/zinc/23/65/78/442236578.db2.gz FECOSFZVCVFLSF-UHFFFAOYSA-N 0 0 339.333 1.652 50 5 EDBARN CCc1n[nH]c(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)c1[N+](=O)[O-] ZINC000192670369 442675285 /nfs/dbraw/zinc/67/52/85/442675285.db2.gz QXSJPFNWACUSQR-NWDGAFQWSA-N 0 0 332.364 1.991 50 5 EDBARN CC(=O)N1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000024710438 485692467 /nfs/dbraw/zinc/69/24/67/485692467.db2.gz PEIBVCCVHYDCDI-UHFFFAOYSA-N 0 0 341.389 1.146 50 5 EDBARN Cc1[nH]c2[nH]c(=O)c3ccccc3c2c(=O)c1[C@H]1CCS(=O)(=O)C1 ZINC000084008301 486241967 /nfs/dbraw/zinc/24/19/67/486241967.db2.gz LGGHRCSUGDSYKM-JTQLQIEISA-N 0 0 344.392 1.580 50 5 EDBARN NC(=O)[C@H]1CCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000084303329 486255415 /nfs/dbraw/zinc/25/54/15/486255415.db2.gz CTGOODXJGJDERP-CMPLNLGQSA-N 0 0 325.752 1.561 50 5 EDBARN COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000053699337 214194742 /nfs/dbraw/zinc/19/47/42/214194742.db2.gz XIISMBQDWWAAHP-NSHDSACASA-N 0 0 328.346 1.311 50 5 EDBARN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCOCC1CC1 ZINC000061174444 214658265 /nfs/dbraw/zinc/65/82/65/214658265.db2.gz REVMBTZRFGKAOD-UHFFFAOYSA-N 0 0 329.378 1.471 50 5 EDBARN CCCCCCn1c(=N)c(C(N)=O)cc2c1nc1ccccn1c2=O ZINC000100851668 219108941 /nfs/dbraw/zinc/10/89/41/219108941.db2.gz KNAYIYZCRVJGFQ-UHFFFAOYSA-N 0 0 339.399 1.808 50 5 EDBARN CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000003899925 210087201 /nfs/dbraw/zinc/08/72/01/210087201.db2.gz YXNHLWPTRGACPX-AWEZNQCLSA-N 0 0 349.343 1.802 50 5 EDBARN CCOC(=O)Cc1cc(CC(=O)OCC)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003845087 210079669 /nfs/dbraw/zinc/07/96/69/210079669.db2.gz QANNVHUFTBLJHP-UHFFFAOYSA-N 0 0 340.288 1.714 50 5 EDBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1ccco1 ZINC000003598613 210062433 /nfs/dbraw/zinc/06/24/33/210062433.db2.gz ABCVJTAZJBOPEU-UHFFFAOYSA-N 0 0 329.268 1.100 50 5 EDBARN CS(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000003445851 210041478 /nfs/dbraw/zinc/04/14/78/210041478.db2.gz VEMLTDZYWAIBMU-UHFFFAOYSA-N 0 0 327.343 1.707 50 5 EDBARN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000003334158 210010444 /nfs/dbraw/zinc/01/04/44/210010444.db2.gz LMEIRVNEULNPPF-JTQLQIEISA-N 0 0 339.373 1.120 50 5 EDBARN CC(=O)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000034863291 212992781 /nfs/dbraw/zinc/99/27/81/212992781.db2.gz PCCAMECKVBMAFR-UHFFFAOYSA-N 0 0 340.767 1.351 50 5 EDBARN COC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000083321 209408702 /nfs/dbraw/zinc/40/87/02/209408702.db2.gz HLUJFRZXFQDWKC-ZDUSSCGKSA-N 0 0 333.300 1.655 50 5 EDBARN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)C2CC2)CC1 ZINC000024592679 212428064 /nfs/dbraw/zinc/42/80/64/212428064.db2.gz HIRFDUBRYDAETH-GFCCVEGCSA-N 0 0 346.387 1.476 50 5 EDBARN Cc1cccc(N2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1[N+](=O)[O-] ZINC000225459843 241874526 /nfs/dbraw/zinc/87/45/26/241874526.db2.gz NRKDRNWZAHEAAW-ZDUSSCGKSA-N 0 0 339.417 1.908 50 5 EDBARN CNS(=O)(=O)c1ccc(N[C@@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000078821658 217129718 /nfs/dbraw/zinc/12/97/18/217129718.db2.gz MNTLZBICJGGSEV-LBPRGKRZSA-N 0 0 331.394 1.322 50 5 EDBARN COC(=O)[C@@H](C)CN(C)c1c(Br)cncc1[N+](=O)[O-] ZINC000091503262 218014577 /nfs/dbraw/zinc/01/45/77/218014577.db2.gz BMLNJJZDYYDZET-ZETCQYMHSA-N 0 0 332.154 1.998 50 5 EDBARN C[C@H]1C[C@@H]1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000009932891 211134188 /nfs/dbraw/zinc/13/41/88/211134188.db2.gz JFRFSAXCZCRTRN-ONGXEEELSA-N 0 0 341.389 1.182 50 5 EDBARN O=C(NCCc1nnc2n1CCCC2)Nc1cccc([N+](=O)[O-])c1 ZINC000097109099 218958823 /nfs/dbraw/zinc/95/88/23/218958823.db2.gz GAMLBNQPRNZBAC-UHFFFAOYSA-N 0 0 330.348 1.887 50 5 EDBARN NC(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000018173115 135713117 /nfs/dbraw/zinc/71/31/17/135713117.db2.gz PKQURKORBZQBKQ-UHFFFAOYSA-N 0 0 327.344 1.415 50 5 EDBARN COCCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000013811221 292363906 /nfs/dbraw/zinc/36/39/06/292363906.db2.gz XGKXJWAZKBXPLK-AOOOYVTPSA-N 0 0 340.384 1.029 50 5 EDBARN C[C@@H](OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(N)=O ZINC000106505807 287116472 /nfs/dbraw/zinc/11/64/72/287116472.db2.gz DVZIHWXLKMNHJR-GHMZBOCLSA-N 0 0 335.360 1.862 50 5 EDBARN CCC[C@@]1(C(=O)OCC)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000278146210 268620961 /nfs/dbraw/zinc/62/09/61/268620961.db2.gz AYUDECSXAMJYGA-HNNXBMFYSA-N 0 0 338.364 1.516 50 5 EDBARN CC(=O)c1ccc(N2CCN(c3nccn3C)CC2)c([N+](=O)[O-])c1 ZINC000072293266 275503950 /nfs/dbraw/zinc/50/39/50/275503950.db2.gz KFSZQYLZPCYFCN-UHFFFAOYSA-N 0 0 329.360 1.858 50 5 EDBARN CCOC(=O)C1=C(C)NC(=O)N(C=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001384411 279530190 /nfs/dbraw/zinc/53/01/90/279530190.db2.gz YRRKLSIBQMZIEK-CYBMUJFWSA-N 0 0 333.300 1.655 50 5 EDBARN O=C1c2ccccc2C(=O)N1[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000000174044 440804100 /nfs/dbraw/zinc/80/41/00/440804100.db2.gz OXGKHXMLXGRJQR-HUUCEWRRSA-N 0 0 342.307 1.285 50 5 EDBARN Cc1ccc(C)c(-n2nnnc2Sc2nc([N+](=O)[O-])nn2C)c1 ZINC000000542228 440829294 /nfs/dbraw/zinc/82/92/94/440829294.db2.gz DJUKKTLAOTXVJG-UHFFFAOYSA-N 0 0 332.349 1.467 50 5 EDBARN CCOC(=O)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O ZINC000005371717 440951920 /nfs/dbraw/zinc/95/19/20/440951920.db2.gz CCMMTNSDHSJGCG-VMPITWQZSA-N 0 0 326.286 1.787 50 5 EDBARN CCN1CCN(c2nc(N)c([N+](=O)[O-])c(NCc3ccco3)n2)CC1 ZINC000005066855 440937134 /nfs/dbraw/zinc/93/71/34/440937134.db2.gz WOVZJFGESOSDJD-UHFFFAOYSA-N 0 0 347.379 1.314 50 5 EDBARN C[C@@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(NC[C@@H]3CCCO3)n2)C1 ZINC000005163320 440939154 /nfs/dbraw/zinc/93/91/54/440939154.db2.gz KJDPUVLSGPVBIR-MNOVXSKESA-N 0 0 336.396 1.794 50 5 EDBARN CCOC(=O)c1c(=N)n(-c2ccc([N+](=O)[O-])cc2)n2c(O)csc12 ZINC000006401888 440990572 /nfs/dbraw/zinc/99/05/72/440990572.db2.gz QLRYQRUGDZWPTN-UHFFFAOYSA-N 0 0 348.340 1.589 50 5 EDBARN C[C@H](Sc1nnnn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006899088 441023004 /nfs/dbraw/zinc/02/30/04/441023004.db2.gz FKGRDSGGYKJCLW-LURJTMIESA-N 0 0 342.768 1.891 50 5 EDBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCS(=O)(=O)C1 ZINC000058265522 441167875 /nfs/dbraw/zinc/16/78/75/441167875.db2.gz VCGOTRSCTOLPRX-SSDOTTSWSA-N 0 0 333.753 1.557 50 5 EDBARN Nc1nccnc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000014059629 441170248 /nfs/dbraw/zinc/17/02/48/441170248.db2.gz SQLQBCFANSUGDC-UHFFFAOYSA-N 0 0 332.272 1.191 50 5 EDBARN CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000017016847 441235037 /nfs/dbraw/zinc/23/50/37/441235037.db2.gz HGTZHZDQECIXMU-SECBINFHSA-N 0 0 332.341 1.874 50 5 EDBARN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccn2)CC1 ZINC000018221747 441250328 /nfs/dbraw/zinc/25/03/28/441250328.db2.gz BQTMTUXJUCCSIM-UHFFFAOYSA-N 0 0 342.355 1.717 50 5 EDBARN NC(=O)Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000024490898 441312188 /nfs/dbraw/zinc/31/21/88/441312188.db2.gz CIEHYXZKDQIYTD-UHFFFAOYSA-N 0 0 343.295 1.604 50 5 EDBARN C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCCO1 ZINC000026402523 441376651 /nfs/dbraw/zinc/37/66/51/441376651.db2.gz NHXTVJIRUDQFEJ-CZUORRHYSA-N 0 0 348.403 1.994 50 5 EDBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC2(CC1)OCCO2 ZINC000028077007 441426257 /nfs/dbraw/zinc/42/62/57/441426257.db2.gz IXDVXSRNZGAZEV-UHFFFAOYSA-N 0 0 335.360 1.681 50 5 EDBARN CCc1nncn1CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087129467 441481032 /nfs/dbraw/zinc/48/10/32/441481032.db2.gz HQCOTKFOBSOYNT-UHFFFAOYSA-N 0 0 344.375 1.517 50 5 EDBARN Nc1c(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000075094543 441493617 /nfs/dbraw/zinc/49/36/17/441493617.db2.gz LCCVFPSCTZYQHQ-LBPRGKRZSA-N 0 0 346.387 1.555 50 5 EDBARN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CCCN(C)C2)c1C ZINC000089626589 441564775 /nfs/dbraw/zinc/56/47/75/441564775.db2.gz JDXPVFWHJMWZCS-ZDUSSCGKSA-N 0 0 341.433 1.926 50 5 EDBARN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000032899668 441576514 /nfs/dbraw/zinc/57/65/14/441576514.db2.gz HYKKGRSMSOYLKT-CYBMUJFWSA-N 0 0 326.374 1.173 50 5 EDBARN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@H]2C(N)=O)cc1C ZINC000076061987 441590445 /nfs/dbraw/zinc/59/04/45/441590445.db2.gz BZDIVIOQDNBTRU-MNOVXSKESA-N 0 0 341.389 1.144 50 5 EDBARN CN(CC(=O)N[C@H]1CCCc2c1cnn2C)c1ccccc1[N+](=O)[O-] ZINC000076065502 441592575 /nfs/dbraw/zinc/59/25/75/441592575.db2.gz FCYJUZYBRABRGW-ZDUSSCGKSA-N 0 0 343.387 1.958 50 5 EDBARN C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000095939903 441955071 /nfs/dbraw/zinc/95/50/71/441955071.db2.gz ZQICZQPGTFCWRA-UHFFFAOYSA-N 0 0 333.385 1.600 50 5 EDBARN Nc1c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc(F)cc1[N+](=O)[O-] ZINC000095977765 441966901 /nfs/dbraw/zinc/96/69/01/441966901.db2.gz KELLQOULFTVYSR-DZGCQCFKSA-N 0 0 331.303 1.704 50 5 EDBARN CCCc1n[nH]c(C(=O)NCc2cccnc2N(C)C)c1[N+](=O)[O-] ZINC000069590238 441982910 /nfs/dbraw/zinc/98/29/10/441982910.db2.gz VAFBEOPEAFZAJB-UHFFFAOYSA-N 0 0 332.364 1.661 50 5 EDBARN COC[C@H](C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000069780071 442040656 /nfs/dbraw/zinc/04/06/56/442040656.db2.gz DKKKYRYYRNERQS-LBPRGKRZSA-N 0 0 343.405 1.082 50 5 EDBARN C[C@](NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454528 442135786 /nfs/dbraw/zinc/13/57/86/442135786.db2.gz VYTDWJBAEWRHID-GBIKHYSHSA-N 0 0 345.277 1.187 50 5 EDBARN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000192626150 442669675 /nfs/dbraw/zinc/66/96/75/442669675.db2.gz MDHFJYTZTKGJTN-SNVBAGLBSA-N 0 0 338.437 1.733 50 5 EDBARN Cn1c2cc([N+](=O)[O-])c(N3CCC4(CC3)OCCO4)cc2n(C)c1=O ZINC000225816977 443120558 /nfs/dbraw/zinc/12/05/58/443120558.db2.gz JGYDYLXAZKFULW-UHFFFAOYSA-N 0 0 348.359 1.129 50 5 EDBARN C[S@](=O)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000280725934 443742451 /nfs/dbraw/zinc/74/24/51/443742451.db2.gz JJSKXUJLIUFVQX-FQEVSTJZSA-N 0 0 332.403 1.174 50 5 EDBARN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1SCCNC1=O ZINC000004736984 210264408 /nfs/dbraw/zinc/26/44/08/210264408.db2.gz BMVQRPMKCZNGCR-NSHDSACASA-N 0 0 325.346 1.164 50 5 EDBARN C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)CS2 ZINC000055796847 214342507 /nfs/dbraw/zinc/34/25/07/214342507.db2.gz UBLMMBBWSRFHQJ-DOMZBBRYSA-N 0 0 335.385 1.665 50 5 EDBARN Cc1c(Nc2ncnc(N)c2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000003912608 210092100 /nfs/dbraw/zinc/09/21/00/210092100.db2.gz XCQACPWTTRWRNX-UHFFFAOYSA-N 0 0 341.331 1.508 50 5 EDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnnn1C ZINC000003467640 210048514 /nfs/dbraw/zinc/04/85/14/210048514.db2.gz JJHDBNPHNMXXRK-ZETCQYMHSA-N 0 0 338.349 1.246 50 5 EDBARN COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 ZINC000000223178 290927430 /nfs/dbraw/zinc/92/74/30/290927430.db2.gz JRDGVJFYDFEZOY-UHFFFAOYSA-N 0 0 332.312 1.738 50 5 EDBARN CCN([C@H](C)COC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000040555330 213350168 /nfs/dbraw/zinc/35/01/68/213350168.db2.gz NZLZMWHWHNBPFD-SNVBAGLBSA-N 0 0 332.378 1.649 50 5 EDBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N1CCCCC1 ZINC000001069195 209707499 /nfs/dbraw/zinc/70/74/99/209707499.db2.gz QNLHUYDHPPOSFY-UHFFFAOYSA-N 0 0 331.170 1.875 50 5 EDBARN Cc1cc(C)n2nc(C(=O)N(C)Cc3cccc([N+](=O)[O-])c3)nc2n1 ZINC000024946822 212449588 /nfs/dbraw/zinc/44/95/88/212449588.db2.gz KQCKGLOULYASSU-UHFFFAOYSA-N 0 0 340.343 1.922 50 5 EDBARN Cc1noc([C@H](C)OC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 ZINC000078986062 217165211 /nfs/dbraw/zinc/16/52/11/217165211.db2.gz SIKPSYHCAOLNOB-QMMMGPOBSA-N 0 0 344.287 1.785 50 5 EDBARN O=C(NC1CCCCCC1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1 ZINC000012428315 211378655 /nfs/dbraw/zinc/37/86/55/211378655.db2.gz RZXTWPIUESADPA-UHFFFAOYSA-N 0 0 334.336 1.675 50 5 EDBARN Cc1cn2c(nc(C)c2CNC(=O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000408518565 250299998 /nfs/dbraw/zinc/29/99/98/250299998.db2.gz NYLSMJWVWGMVSW-UHFFFAOYSA-N 0 0 334.361 1.434 50 5 EDBARN Cc1ccnc(NC(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000009156105 211047665 /nfs/dbraw/zinc/04/76/65/211047665.db2.gz BFXGUQGMFRDYSV-UHFFFAOYSA-N 0 0 328.328 1.975 50 5 EDBARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2c(=O)nc3sccn3c2N1 ZINC000055095244 296344864 /nfs/dbraw/zinc/34/48/64/296344864.db2.gz RHCUUYHBDVVGJG-JTQLQIEISA-N 0 0 342.336 1.319 50 5 EDBARN O=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)cc1 ZINC000005603090 210499065 /nfs/dbraw/zinc/49/90/65/210499065.db2.gz DAZDOVOWVOZFLF-UHFFFAOYSA-N 0 0 336.369 1.778 50 5 EDBARN CS[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296123588 258011021 /nfs/dbraw/zinc/01/10/21/258011021.db2.gz FRYUHZYLBSPXRT-LBPRGKRZSA-N 0 0 330.431 1.806 50 5 EDBARN Cc1cc(C)n(Cc2cccc(CNC(=O)[C@H]3C[C@H]3[N+](=O)[O-])c2)n1 ZINC000054031890 258060781 /nfs/dbraw/zinc/06/07/81/258060781.db2.gz HVCFGXZQISQEOM-JKSUJKDBSA-N 0 0 328.372 1.830 50 5 EDBARN C[C@@H]1CN(c2nc(NCc3ccco3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000013778888 135703132 /nfs/dbraw/zinc/70/31/32/135703132.db2.gz KJULTPFPRMFGFW-AOOOYVTPSA-N 0 0 348.363 1.786 50 5 EDBARN O=[N+]([O-])c1ccc(Br)cc1N1CCN(CCO)CC1 ZINC000078870078 275035199 /nfs/dbraw/zinc/03/51/99/275035199.db2.gz LAORTJRNYJLXAY-UHFFFAOYSA-N 0 0 330.182 1.472 50 5 EDBARN NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000058482219 295107814 /nfs/dbraw/zinc/10/78/14/295107814.db2.gz VYUYLWBPPXXLPZ-LLVKDONJSA-N 0 0 332.360 1.189 50 5 EDBARN COC(=O)[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H]1c1ccc(O)cc1 ZINC000295044929 303166516 /nfs/dbraw/zinc/16/65/16/303166516.db2.gz XNAVXHKLLBNMAV-QWHCGFSZSA-N 0 0 346.343 1.427 50 5 EDBARN CCN1CCN(c2nc(NCCC(C)C)nc(N)c2[N+](=O)[O-])CC1 ZINC000004305993 440915737 /nfs/dbraw/zinc/91/57/37/440915737.db2.gz BATUWUUVTQUAKJ-UHFFFAOYSA-N 0 0 337.428 1.567 50 5 EDBARN C[C@H]1CN(c2nc(N3CCCCC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000004306256 440916394 /nfs/dbraw/zinc/91/63/94/440916394.db2.gz MMSBIRHRIKGEHA-QWRGUYRKSA-N 0 0 336.396 1.571 50 5 EDBARN O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)NC1CCCC1 ZINC000005400737 440953772 /nfs/dbraw/zinc/95/37/72/440953772.db2.gz CQPNKNKQDMBFMS-UHFFFAOYSA-N 0 0 342.355 1.877 50 5 EDBARN COc1ccccc1N1CCN(C(=O)c2noc(C)c2[N+](=O)[O-])CC1 ZINC000004884869 440929442 /nfs/dbraw/zinc/92/94/42/440929442.db2.gz VXFXYSYQUZDTLD-UHFFFAOYSA-N 0 0 346.343 1.862 50 5 EDBARN CCCNC(=O)NC(=O)COC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000006508175 440995771 /nfs/dbraw/zinc/99/57/71/440995771.db2.gz QANYFMJOIPYWFA-UHFFFAOYSA-N 0 0 338.320 1.029 50 5 EDBARN CCCNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000046034139 441071566 /nfs/dbraw/zinc/07/15/66/441071566.db2.gz WLQVACPXLTZUMY-SNVBAGLBSA-N 0 0 329.378 1.096 50 5 EDBARN Cc1nn([C@H](C)C(=O)N2NC=C[C@@]2(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000006921721 441024885 /nfs/dbraw/zinc/02/48/85/441024885.db2.gz WWCFQWKOZRGQAQ-GMSGAONNSA-N 0 0 335.242 1.130 50 5 EDBARN CCC1=Nc2nnnn2[C@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OC ZINC000045895960 441055816 /nfs/dbraw/zinc/05/58/16/441055816.db2.gz OCLOMIQROWWEPL-GFCCVEGCSA-N 0 0 330.304 1.433 50 5 EDBARN O=C(COc1cccnc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000009157688 441103126 /nfs/dbraw/zinc/10/31/26/441103126.db2.gz ORMFKCOCMCMCLE-UHFFFAOYSA-N 0 0 342.355 1.717 50 5 EDBARN CCN1CCN([C@@H](C)CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000071235553 441143549 /nfs/dbraw/zinc/14/35/49/441143549.db2.gz WFTCKRYJSZJERN-ZDUSSCGKSA-N 0 0 341.433 1.395 50 5 EDBARN Cc1nn(C)c(C)c1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012904195 441147199 /nfs/dbraw/zinc/14/71/99/441147199.db2.gz KZNZIKCINKBOPM-UHFFFAOYSA-N 0 0 345.359 1.704 50 5 EDBARN C[C@@H]1COC[C@H](C)N1CC(=O)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000072685963 441250127 /nfs/dbraw/zinc/25/01/27/441250127.db2.gz JUBRCTAIAIBONE-BETUJISGSA-N 0 0 333.388 1.983 50 5 EDBARN CCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000048275231 441282834 /nfs/dbraw/zinc/28/28/34/441282834.db2.gz JVDCYIOVHHSDBB-LBPRGKRZSA-N 0 0 344.389 1.793 50 5 EDBARN O=C(CN1CCCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000026705494 441382538 /nfs/dbraw/zinc/38/25/38/441382538.db2.gz XGPJPYHAYADAFV-UHFFFAOYSA-N 0 0 332.404 1.729 50 5 EDBARN O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000108143988 441436772 /nfs/dbraw/zinc/43/67/72/441436772.db2.gz RZRRWLSCYUVFGX-UONOGXRCSA-N 0 0 345.355 1.553 50 5 EDBARN COc1cccc([C@H](O)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000075610518 441540734 /nfs/dbraw/zinc/54/07/34/441540734.db2.gz DRAJCGQTTSIIMS-OAHLLOKOSA-N 0 0 331.328 1.649 50 5 EDBARN COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000075142351 441502958 /nfs/dbraw/zinc/50/29/58/441502958.db2.gz QSOLDSXFCKGTRJ-LLVKDONJSA-N 0 0 349.343 1.577 50 5 EDBARN Cc1ccnc(NC2CCN(C(=O)c3cnccn3)CC2)c1[N+](=O)[O-] ZINC000076688875 441675507 /nfs/dbraw/zinc/67/55/07/441675507.db2.gz QAGFMJHBODHJHL-UHFFFAOYSA-N 0 0 342.359 1.805 50 5 EDBARN O=c1onc(-c2cccs2)n1CCn1cc([N+](=O)[O-])ccc1=O ZINC000095990837 441973470 /nfs/dbraw/zinc/97/34/70/441973470.db2.gz PMIOGKOJVWIIAQ-UHFFFAOYSA-N 0 0 334.313 1.335 50 5 EDBARN CCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCCOC1 ZINC000095469077 441932384 /nfs/dbraw/zinc/93/23/84/441932384.db2.gz AMGWIKLNHKNQDJ-BXKDBHETSA-N 0 0 326.305 1.276 50 5 EDBARN O=C(N[C@H](Cn1cccn1)c1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000095978806 441967915 /nfs/dbraw/zinc/96/79/15/441967915.db2.gz JPLXSXBHJNRATL-GFCCVEGCSA-N 0 0 326.316 1.686 50 5 EDBARN CN(C)C(=O)[C@@H]1CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000069654916 442001567 /nfs/dbraw/zinc/00/15/67/442001567.db2.gz QTCJFFXUKGABMW-AWEZNQCLSA-N 0 0 334.376 1.476 50 5 EDBARN Cc1nn(C)c(NCc2cccc(Cn3cncn3)c2)c1[N+](=O)[O-] ZINC000069740561 442026834 /nfs/dbraw/zinc/02/68/34/442026834.db2.gz AQKBXJWCTLHDDC-UHFFFAOYSA-N 0 0 327.348 1.889 50 5 EDBARN O=C(NCC1(CO)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000096475632 442139737 /nfs/dbraw/zinc/13/97/37/442139737.db2.gz CRQBWUFNDZZTFG-UHFFFAOYSA-N 0 0 329.150 1.860 50 5 EDBARN O=C1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1CC1CCCC1 ZINC000096489050 442142289 /nfs/dbraw/zinc/14/22/89/442142289.db2.gz PIZPIHFXCPRDAT-UHFFFAOYSA-N 0 0 344.375 1.476 50 5 EDBARN CCNS(=O)(=O)[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000097051792 442160831 /nfs/dbraw/zinc/16/08/31/442160831.db2.gz QPMPMYVLMRRBSB-HZRUHFOJSA-N 0 0 339.417 1.622 50 5 EDBARN C[C@@H]1C[C@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN1C ZINC000097083882 442164012 /nfs/dbraw/zinc/16/40/12/442164012.db2.gz CPCHCUDHAONKSI-NXEZZACHSA-N 0 0 347.462 1.979 50 5 EDBARN Cc1ccc(NCCCNC(=O)[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000252486120 443029374 /nfs/dbraw/zinc/02/93/74/443029374.db2.gz HHLXEJVNMMAMDI-OAHLLOKOSA-N 0 0 347.375 1.289 50 5 EDBARN Cc1cc(N2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)n[nH]1 ZINC000225516279 443109663 /nfs/dbraw/zinc/10/96/63/443109663.db2.gz QNGRUEMXYZNLTP-UHFFFAOYSA-N 0 0 328.376 1.921 50 5 EDBARN C[C@]1(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000273085941 443535251 /nfs/dbraw/zinc/53/52/51/443535251.db2.gz LYTMYJRGQBMQHJ-CABCVRRESA-N 0 0 340.401 1.972 50 5 EDBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)[nH]c1=O ZINC000359639575 445351868 /nfs/dbraw/zinc/35/18/68/445351868.db2.gz NSLTUNQUXFEUCR-UHFFFAOYSA-N 0 0 339.329 1.813 50 5 EDBARN CC1(C)CNC(=O)[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000583651285 448457116 /nfs/dbraw/zinc/45/71/16/448457116.db2.gz KCBABNVDNDXSHH-QMMMGPOBSA-N 0 0 329.154 1.689 50 5 EDBARN O=C(CCCn1ccc([N+](=O)[O-])n1)NCc1nc2ccccc2[nH]1 ZINC000004625271 210234388 /nfs/dbraw/zinc/23/43/88/210234388.db2.gz DRWNMWXISCCJSI-UHFFFAOYSA-N 0 0 328.332 1.764 50 5 EDBARN CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000004504722 210207793 /nfs/dbraw/zinc/20/77/93/210207793.db2.gz XFSKRPGZVQXTOD-VIFPVBQESA-N 0 0 332.765 1.507 50 5 EDBARN Cn1cnc([N+](=O)[O-])c1NCCCCN1C(=O)c2ccccc2C1=O ZINC000101059364 219115193 /nfs/dbraw/zinc/11/51/93/219115193.db2.gz VAHIMMUULSIKAO-UHFFFAOYSA-N 0 0 343.343 1.817 50 5 EDBARN C[C@H]1CCCN(C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000048628757 213950769 /nfs/dbraw/zinc/95/07/69/213950769.db2.gz OGKBZHLTIQJSDO-QMMMGPOBSA-N 0 0 331.170 1.812 50 5 EDBARN O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000068140722 215281672 /nfs/dbraw/zinc/28/16/72/215281672.db2.gz YFTRTVAVUQASFB-QWRGUYRKSA-N 0 0 336.735 1.714 50 5 EDBARN CC(C)N1C(=O)C(=O)N(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)C1=O ZINC000040091175 213263012 /nfs/dbraw/zinc/26/30/12/213263012.db2.gz PSKUPMCSWMGIPO-JTQLQIEISA-N 0 0 346.343 1.503 50 5 EDBARN CC(=O)N1CCN(C(=O)CCNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000069816490 215593803 /nfs/dbraw/zinc/59/38/03/215593803.db2.gz IAKBDWSQLXXXJR-UHFFFAOYSA-N 0 0 338.339 1.227 50 5 EDBARN CC[C@H](C)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000035585740 213040655 /nfs/dbraw/zinc/04/06/55/213040655.db2.gz MEIRPQLETVYUOK-LBPRGKRZSA-N 0 0 327.406 1.700 50 5 EDBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccccc1 ZINC000000067934 209398905 /nfs/dbraw/zinc/39/89/05/209398905.db2.gz DYTMGNHTSCJVIG-UHFFFAOYSA-N 0 0 325.280 1.830 50 5 EDBARN Cn1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000020528459 212143864 /nfs/dbraw/zinc/14/38/64/212143864.db2.gz ATWSXXQXRCIGBK-UHFFFAOYSA-N 0 0 329.360 1.286 50 5 EDBARN CCn1c2ccccc2c(NCCN2CCOCC2)c([N+](=O)[O-])c1=O ZINC000019972627 212093005 /nfs/dbraw/zinc/09/30/05/212093005.db2.gz LHGXNIAFWXZURP-UHFFFAOYSA-N 0 0 346.387 1.674 50 5 EDBARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000013102060 211521043 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NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000069776155 215575658 /nfs/dbraw/zinc/57/56/58/215575658.db2.gz CZZWEEAXLBMRFT-CYBMUJFWSA-N 0 0 347.352 1.373 50 5 EDBARN CCn1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000069815477 215592396 /nfs/dbraw/zinc/59/23/96/215592396.db2.gz KRVDDJGDSLPXKU-UHFFFAOYSA-N 0 0 329.360 1.774 50 5 EDBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000032400774 212799293 /nfs/dbraw/zinc/79/92/93/212799293.db2.gz MKHSCJCMFHIGLT-NXEZZACHSA-N 0 0 330.362 1.401 50 5 EDBARN O=[N+]([O-])c1ccc(OC[C@H](O)Cn2c3ccccc3nc2CO)cc1 ZINC000000072567 209402181 /nfs/dbraw/zinc/40/21/81/209402181.db2.gz WQGDXOBASOBKDA-CYBMUJFWSA-N 0 0 343.339 1.877 50 5 EDBARN CC(=O)N1c2ccc(C(=O)Cn3cnc([N+](=O)[O-])c3)cc2C[C@@H]1C ZINC000024830329 212442560 /nfs/dbraw/zinc/44/25/60/212442560.db2.gz MRRQKKGKGXHWBI-JTQLQIEISA-N 0 0 328.328 1.972 50 5 EDBARN CN(C(=O)Cn1nc(-c2ccco2)oc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000011643597 211227884 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CN(C)c1noc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000185244625 276816606 /nfs/dbraw/zinc/81/66/06/276816606.db2.gz WWUHXYLCKNAGPV-UHFFFAOYSA-N 0 0 332.364 1.366 50 5 EDBARN CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000001698820 277091901 /nfs/dbraw/zinc/09/19/01/277091901.db2.gz HUYDNMDXUKPVQA-UHFFFAOYSA-N 0 0 327.343 1.843 50 5 EDBARN C[C@@H]1NC(=O)N(C)[C@H]2NC(=O)N(C)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]21 ZINC000001439276 440845723 /nfs/dbraw/zinc/84/57/23/440845723.db2.gz ZCWQWKGQGKOVJR-BXGBBSSXSA-N 0 0 333.348 1.277 50 5 EDBARN Nc1nc(NCc2ccccc2)nc(N2CCOCC2)c1[N+](=O)[O-] ZINC000005217511 440941300 /nfs/dbraw/zinc/94/13/00/440941300.db2.gz ZLJRJWIMRPTMTG-UHFFFAOYSA-N 0 0 330.348 1.416 50 5 EDBARN COc1ccc(C(=O)C2CCN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1 ZINC000045059601 440944457 /nfs/dbraw/zinc/94/44/57/440944457.db2.gz ABDBYAOJSUFCGY-GJZGRUSLSA-N 0 0 332.356 1.782 50 5 EDBARN O=C(NCc1cccnc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004842596 440928041 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Nc1ccc(C(=O)N2CCN(Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000057770061 441134299 /nfs/dbraw/zinc/13/42/99/441134299.db2.gz DTMNKWFJWLYNHC-UHFFFAOYSA-N 0 0 330.344 1.728 50 5 EDBARN O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)cc1 ZINC000012765172 441141539 /nfs/dbraw/zinc/14/15/39/441141539.db2.gz IYQDQEHGQQPFGR-UHFFFAOYSA-N 0 0 331.332 1.267 50 5 EDBARN CCCC(=O)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3n2C)CC1 ZINC000013003137 441151410 /nfs/dbraw/zinc/15/14/10/441151410.db2.gz PSVVJMPALRMUGL-UHFFFAOYSA-N 0 0 345.403 1.926 50 5 EDBARN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000016493655 441226645 /nfs/dbraw/zinc/22/66/45/441226645.db2.gz HDLWXVDXFFLLNG-UHFFFAOYSA-N 0 0 342.355 1.241 50 5 EDBARN COC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(=O)[nH][nH]c2C[C@@]1(C)O ZINC000020442589 441264993 /nfs/dbraw/zinc/26/49/93/441264993.db2.gz DDLDWBKOLYQKJQ-DETPVDSQSA-N 0 0 347.327 1.252 50 5 EDBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000026866158 441387615 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NS(=O)(=O)c1cccc(NCc2cccc(F)c2)c1[N+](=O)[O-] ZINC000097115256 442171244 /nfs/dbraw/zinc/17/12/44/442171244.db2.gz LNQFEDSIDYYYDI-UHFFFAOYSA-N 0 0 325.321 1.993 50 5 EDBARN CC1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000170597242 442234189 /nfs/dbraw/zinc/23/41/89/442234189.db2.gz OVARGMAAXZUMIJ-UHFFFAOYSA-N 0 0 335.179 1.998 50 5 EDBARN CC(C)NC(=O)CN1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000225387354 443099968 /nfs/dbraw/zinc/09/99/68/443099968.db2.gz NOMYZXICFJSBSI-UHFFFAOYSA-N 0 0 340.811 1.895 50 5 EDBARN C[C@](NC(=O)[C@H]1C[C@H]1[N+](=O)[O-])(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000245343839 443220768 /nfs/dbraw/zinc/22/07/68/443220768.db2.gz VYTDWJBAEWRHID-OPQQBVKSSA-N 0 0 345.277 1.187 50 5 EDBARN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000281940441 444044063 /nfs/dbraw/zinc/04/40/63/444044063.db2.gz LINUBHURVMYPAT-SNVBAGLBSA-N 0 0 348.359 1.878 50 5 EDBARN Cc1ccnc(N2CCC(NC(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000521398382 448980159 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C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](n2cncn2)C1 ZINC000069535787 203016355 /nfs/dbraw/zinc/01/63/55/203016355.db2.gz WQFXGVRVPTUMDY-OLZOCXBDSA-N 0 0 344.375 1.850 50 5 EDBARN CCNC(=O)c1cc2c(nc3ccccn3c2=O)n([C@H](C)CC)c1=N ZINC000100628094 203996339 /nfs/dbraw/zinc/99/63/39/203996339.db2.gz OXMBTESBNUPFFA-LLVKDONJSA-N 0 0 339.399 1.849 50 5 EDBARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000001506809 206289015 /nfs/dbraw/zinc/28/90/15/206289015.db2.gz KDNRXRRJFWDVBQ-UHFFFAOYSA-N 0 0 346.320 1.622 50 5 EDBARN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N(C)CC[C@H](C)O ZINC000408518749 250299727 /nfs/dbraw/zinc/29/97/27/250299727.db2.gz XSBNJUSMAHIPQY-NSHDSACASA-N 0 0 345.421 1.490 50 5 EDBARN NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000054389044 295046356 /nfs/dbraw/zinc/04/63/56/295046356.db2.gz HDPOHYYTZCIXQW-UHFFFAOYSA-N 0 0 346.309 1.611 50 5 EDBARN O=C(c1ccc2c(c1)C(=O)N(CCO)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000002474436 440863896 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O=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])o1 ZINC000009571075 441106162 /nfs/dbraw/zinc/10/61/62/441106162.db2.gz BGMRAQZNJRUNRM-UHFFFAOYSA-N 0 0 332.251 1.233 50 5 EDBARN CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000010256151 441111731 /nfs/dbraw/zinc/11/17/31/441111731.db2.gz UIPDTOZURRHNQY-GFCCVEGCSA-N 0 0 329.312 1.895 50 5 EDBARN CN(C)[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000010334668 441113051 /nfs/dbraw/zinc/11/30/51/441113051.db2.gz IANAAPXDYWXJDD-GFCCVEGCSA-N 0 0 339.373 1.769 50 5 EDBARN CN(C[C@H]1COc2ccccc2O1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000008051933 441081035 /nfs/dbraw/zinc/08/10/35/441081035.db2.gz SSSPPQPKKPFCMM-LBPRGKRZSA-N 0 0 343.339 1.970 50 5 EDBARN CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2CC12C(=O)NC(=O)NC2=O ZINC000018082973 441247426 /nfs/dbraw/zinc/24/74/26/441247426.db2.gz MSOWQNOGDBCYBW-GFCCVEGCSA-N 0 0 346.343 1.108 50 5 EDBARN C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)n1ccnc1 ZINC000048354977 441297718 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CN(Cc1cnn(C)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067375137 441633406 /nfs/dbraw/zinc/63/34/06/441633406.db2.gz XCXFCVYUDNBAIB-OAHLLOKOSA-N 0 0 329.360 1.566 50 5 EDBARN CCN(C[C@@H]1CCCO1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000067716956 441672221 /nfs/dbraw/zinc/67/22/21/441672221.db2.gz BXRVBHRIKWJQHV-LBPRGKRZSA-N 0 0 344.389 1.793 50 5 EDBARN CS(=O)(=O)NC[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000069420779 441932559 /nfs/dbraw/zinc/93/25/59/441932559.db2.gz MWGCCTBOAXQPHF-CYBMUJFWSA-N 0 0 327.406 1.499 50 5 EDBARN CN(CCN1CCOCC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000095966489 441963113 /nfs/dbraw/zinc/96/31/13/441963113.db2.gz ZLNVYQRAENQCCG-UHFFFAOYSA-N 0 0 345.197 1.521 50 5 EDBARN Cc1n[nH]c(C(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)c1[N+](=O)[O-] ZINC000078972179 442001148 /nfs/dbraw/zinc/00/11/48/442001148.db2.gz ZSSCFERDQWFJKK-RULNZOCKSA-N 0 0 336.373 1.476 50 5 EDBARN NC(=O)c1cc([N+](=O)[O-])cn(Cc2ccn(C3CCCC3)n2)c1=O ZINC000096476051 442139343 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CCOC(=O)C1=C(COc2ccc([N+](=O)[O-])cc2)NC(=O)N[C@@H]1CC ZINC000007168588 441039259 /nfs/dbraw/zinc/03/92/59/441039259.db2.gz DKUHRIBZNZEPRC-GFCCVEGCSA-N 0 0 349.343 1.882 50 5 EDBARN Cc1nn(CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000007982083 441077408 /nfs/dbraw/zinc/07/74/08/441077408.db2.gz FZHGQUYIWVOYQD-SKDRFNHKSA-N 0 0 337.380 1.813 50 5 EDBARN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1[nH]nc2ccccc21 ZINC000012547976 441135688 /nfs/dbraw/zinc/13/56/88/441135688.db2.gz ULLUEDDPURQYFN-CQSZACIVSA-N 0 0 326.312 1.935 50 5 EDBARN Cn1cc([C@@](C)(O)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1 ZINC000080892807 441205161 /nfs/dbraw/zinc/20/51/61/441205161.db2.gz GMCTYRJGDIUTCY-WHWKNOJMSA-N 0 0 330.344 1.365 50 5 EDBARN CC(C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000024586163 441313689 /nfs/dbraw/zinc/31/36/89/441313689.db2.gz UACJIKWEOHTCEE-UHFFFAOYSA-N 0 0 340.811 1.895 50 5 EDBARN CCCOC(=O)Nc1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000025667366 441352316 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CCOC(=O)c1cccc(N2CCN(C(=O)C3CC3)CC2)c1[N+](=O)[O-] ZINC000170598812 442233789 /nfs/dbraw/zinc/23/37/89/442233789.db2.gz IQDSBXBSYOOLQL-UHFFFAOYSA-N 0 0 347.371 1.830 50 5 EDBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1cc[nH]n1 ZINC000170624660 442238108 /nfs/dbraw/zinc/23/81/08/442238108.db2.gz YUXSDLKNARLYSW-UHFFFAOYSA-N 0 0 332.288 1.926 50 5 EDBARN Cc1nn(C)c(C)c1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188450512 442751682 /nfs/dbraw/zinc/75/16/82/442751682.db2.gz POETZDSEUMISPN-UHFFFAOYSA-N 0 0 330.344 1.849 50 5 EDBARN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000252511781 443038198 /nfs/dbraw/zinc/03/81/98/443038198.db2.gz KLPUQGDNUNJSQS-JHJVBQTASA-N 0 0 330.362 1.066 50 5 EDBARN O=C(c1ccc[nH]c1=S)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000029999006 526822822 /nfs/dbraw/zinc/82/28/22/526822822.db2.gz UMJITZMPRKKFMG-UHFFFAOYSA-N 0 0 345.384 1.636 50 5 EDBARN O=C(C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004702818 210253447 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O=C(OCc1ccccc1[N+](=O)[O-])c1ccccc1-n1cnnn1 ZINC000025121151 441330817 /nfs/dbraw/zinc/33/08/17/441330817.db2.gz WEOJKULXEVNRKL-UHFFFAOYSA-N 0 0 325.284 1.928 50 5 EDBARN O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12)N1CCOCC1 ZINC000024487776 441312377 /nfs/dbraw/zinc/31/23/77/441312377.db2.gz IWRKJTOBYAPESR-RDJZCZTQSA-N 0 0 345.399 1.985 50 5 EDBARN Cc1cc([N+](=O)[O-])ccc1-n1nnnc1[C@@H](C(C)C)N1CCOCC1 ZINC000075270243 441515146 /nfs/dbraw/zinc/51/51/46/441515146.db2.gz NAEJOUZPPHGMEQ-OAHLLOKOSA-N 0 0 346.391 1.908 50 5 EDBARN COc1ncccc1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000031320330 441521709 /nfs/dbraw/zinc/52/17/09/441521709.db2.gz HDKIEAJBNDWWLJ-UHFFFAOYSA-N 0 0 345.311 1.700 50 5 EDBARN O=[N+]([O-])c1cccnc1NCCNS(=O)(=O)Cc1ccccc1 ZINC000032923693 441578197 /nfs/dbraw/zinc/57/81/97/441578197.db2.gz YWAUPJWBQLDPFY-UHFFFAOYSA-N 0 0 336.373 1.521 50 5 EDBARN O=C(Cc1noc(Cn2ccc([N+](=O)[O-])n2)n1)Nc1ccccc1 ZINC000089845660 441585479 /nfs/dbraw/zinc/58/54/79/441585479.db2.gz 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0 339.417 1.987 50 5 EDBARN CC[C@@]1(C)COCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000390833180 447500430 /nfs/dbraw/zinc/50/04/30/447500430.db2.gz DEBMAVGLFPDZID-AWEZNQCLSA-N 0 0 328.390 1.926 50 5 EDBARN O=C(NC[C@H]1COCCO1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050589105 214060154 /nfs/dbraw/zinc/06/01/54/214060154.db2.gz ABHAUCMHHCNHNE-LBPRGKRZSA-N 0 0 349.368 1.864 50 5 EDBARN CC(C)N(Cc1cnn(C)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055300218 214303655 /nfs/dbraw/zinc/30/36/55/214303655.db2.gz DZOPIYYWZWDVLR-UHFFFAOYSA-N 0 0 338.389 1.928 50 5 EDBARN Nc1nonc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000004151769 210133407 /nfs/dbraw/zinc/13/34/07/210133407.db2.gz HGAWDDNIERUUJY-UHFFFAOYSA-N 0 0 326.700 1.055 50 5 EDBARN COC(CNC(=O)c1cccn2c(=O)c3ccccc3nc12)OC ZINC000000425555 209587927 /nfs/dbraw/zinc/58/79/27/209587927.db2.gz IZGDXWASECJTDU-UHFFFAOYSA-N 0 0 327.340 1.196 50 5 EDBARN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@H](C(N)=O)C1 ZINC000071913895 215958595 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COC(=O)c1cc([N+](=O)[O-])c(NCCN2CCOCC2)cc1Cl ZINC000078876089 217136759 /nfs/dbraw/zinc/13/67/59/217136759.db2.gz LZQQBHLUXFJJKU-UHFFFAOYSA-N 0 0 343.767 1.779 50 5 EDBARN COC(=O)c1cc(NC[C@H](C)N2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000079057971 217183886 /nfs/dbraw/zinc/18/38/86/217183886.db2.gz JYNUQALCJBTRGF-LBPRGKRZSA-N 0 0 337.376 1.822 50 5 EDBARN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCOC2)CC1 ZINC000089574025 217814860 /nfs/dbraw/zinc/81/48/60/217814860.db2.gz APSYJVGGXJJNED-KGLIPLIRSA-N 0 0 348.403 1.328 50 5 EDBARN COC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCO1 ZINC000408518397 250300297 /nfs/dbraw/zinc/30/02/97/250300297.db2.gz FORUYUZSHUCZIN-VIFPVBQESA-N 0 0 344.751 1.886 50 5 EDBARN O=c1c2ccoc2ccn1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000097085554 218946534 /nfs/dbraw/zinc/94/65/34/218946534.db2.gz CAKQHWTURDUNJO-NSHDSACASA-N 0 0 330.296 1.943 50 5 EDBARN NS(=O)(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000005094710 210388129 /nfs/dbraw/zinc/38/81/29/210388129.db2.gz SVIJMXQRJKRBHM-BQYQJAHWSA-N 0 0 347.352 1.894 50 5 EDBARN O=c1c([N+](=O)[O-])c(N(C[C@H]2CCOC2)C2CC2)nc2ccccn21 ZINC000097379178 219020021 /nfs/dbraw/zinc/02/00/21/219020021.db2.gz OKLAHFKOPGPTCN-LLVKDONJSA-N 0 0 330.344 1.608 50 5 EDBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)N1CCOCC1 ZINC000004810999 210283665 /nfs/dbraw/zinc/28/36/65/210283665.db2.gz BSQLZEIOGKIFPN-QMMMGPOBSA-N 0 0 347.169 1.282 50 5 EDBARN C[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000521395077 257947709 /nfs/dbraw/zinc/94/77/09/257947709.db2.gz FSNNJMNFIXDBEF-NOZJJQNGSA-N 0 0 341.389 1.246 50 5 EDBARN CCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000190142 285671206 /nfs/dbraw/zinc/67/12/06/285671206.db2.gz NBDYOJWEHHTQFG-LBPRGKRZSA-N 0 0 330.304 1.433 50 5 EDBARN CCOC(=O)Cc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000356119301 150518318 /nfs/dbraw/zinc/51/83/18/150518318.db2.gz HDFTVDKBNJJCOC-UHFFFAOYSA-N 0 0 332.316 1.536 50 5 EDBARN C[C@@H](c1ccccc1)n1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O ZINC000013548689 287149565 /nfs/dbraw/zinc/14/95/65/287149565.db2.gz YZGKXCBLMXDATO-JTQLQIEISA-N 0 0 333.351 1.825 50 5 EDBARN Cc1ccc(C)c(N2CCN(c3ncnc(N)c3[N+](=O)[O-])CC2)c1 ZINC000004059600 278797374 /nfs/dbraw/zinc/79/73/74/278797374.db2.gz VBFLUVDUDOZTFU-UHFFFAOYSA-N 0 0 328.376 1.910 50 5 EDBARN CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000005733096 440966828 /nfs/dbraw/zinc/96/68/28/440966828.db2.gz UNAHYJYOSSSJHH-UHFFFAOYSA-N 0 0 346.365 1.777 50 5 in-vitro EDBARN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000007118523 441037067 /nfs/dbraw/zinc/03/70/67/441037067.db2.gz VQFWEUCNIUFQLY-UHFFFAOYSA-N 0 0 331.328 1.839 50 5 EDBARN O=C(CN1C(=O)c2ccccc2C1=O)Oc1cccc([N+](=O)[O-])c1 ZINC000007734875 441066779 /nfs/dbraw/zinc/06/67/79/441066779.db2.gz HWVVEQFUYQXOGU-UHFFFAOYSA-N 0 0 326.264 1.796 50 5 EDBARN O=C(NCCNS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000012873222 441145944 /nfs/dbraw/zinc/14/59/44/441145944.db2.gz ZFARCDVXRWTWKZ-UHFFFAOYSA-N 0 0 349.368 1.303 50 5 EDBARN Cn1ncc2c1ncnc2N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047938585 441240348 /nfs/dbraw/zinc/24/03/48/441240348.db2.gz VGEQECAKEXTRIL-UHFFFAOYSA-N 0 0 339.359 1.598 50 5 EDBARN CNS(=O)(=O)c1ccc(NCCc2cscn2)c([N+](=O)[O-])c1 ZINC000071911594 441193715 /nfs/dbraw/zinc/19/37/15/441193715.db2.gz ULFCBZUSBGMTEG-UHFFFAOYSA-N 0 0 342.402 1.614 50 5 EDBARN O=[N+]([O-])c1cccnc1NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000058439552 441195790 /nfs/dbraw/zinc/19/57/90/441195790.db2.gz ZXDZBDCBXGLDNL-SNVBAGLBSA-N 0 0 333.300 1.570 50 5 EDBARN C[C@@H](Cn1cccn1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000024805923 441321015 /nfs/dbraw/zinc/32/10/15/441321015.db2.gz CFILSBWQTKEWTM-JTQLQIEISA-N 0 0 332.316 1.381 50 5 EDBARN COc1ccc([N+](=O)[O-])cc1COC(=O)CNC(=O)c1ccco1 ZINC000024215793 441306212 /nfs/dbraw/zinc/30/62/12/441306212.db2.gz OFRWNBKGUIGBEG-UHFFFAOYSA-N 0 0 334.284 1.670 50 5 EDBARN COc1cccc([C@@H](O)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000075610520 441541245 /nfs/dbraw/zinc/54/12/45/441541245.db2.gz DRAJCGQTTSIIMS-HNNXBMFYSA-N 0 0 331.328 1.649 50 5 EDBARN CCOC(=O)c1cc(C(=O)N[C@H](CC(N)=O)C2CC2)cc([N+](=O)[O-])c1 ZINC000075148032 441503544 /nfs/dbraw/zinc/50/35/44/441503544.db2.gz ZNPXKEIPNUXTCA-CYBMUJFWSA-N 0 0 349.343 1.155 50 5 EDBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)CCC(=O)N2 ZINC000032788853 441572253 /nfs/dbraw/zinc/57/22/53/441572253.db2.gz UJDUIBHEYGKMPK-UHFFFAOYSA-N 0 0 327.296 1.524 50 5 EDBARN COC(=O)c1nc2nc3cc(F)c(F)cc3nc2c(N)c1C(=O)OC ZINC000033286245 441594208 /nfs/dbraw/zinc/59/42/08/441594208.db2.gz VYINYGPEZWPJJI-UHFFFAOYSA-N 0 0 348.265 1.612 50 5 EDBARN C[C@H](CS(C)(=O)=O)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000069744378 442031350 /nfs/dbraw/zinc/03/13/50/442031350.db2.gz IERYVCSWBPFGDM-ZJUUUORDSA-N 0 0 346.430 1.625 50 5 EDBARN CS(=O)(=O)c1ccc(OCCNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000069774224 442036178 /nfs/dbraw/zinc/03/61/78/442036178.db2.gz LLGMRTPJOKGRNF-UHFFFAOYSA-N 0 0 337.357 1.884 50 5 EDBARN Cn1c2ccccc2n(C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1=O ZINC000097085545 442165727 /nfs/dbraw/zinc/16/57/27/442165727.db2.gz SRISFZFVPZRGAM-GFCCVEGCSA-N 0 0 343.339 1.688 50 5 EDBARN Cc1sc(S(=O)(=O)NC[C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000097161622 442176770 /nfs/dbraw/zinc/17/67/70/442176770.db2.gz VJDJANJCUUQLDB-SECBINFHSA-N 0 0 344.418 1.776 50 5 EDBARN O=C([C@H]1CCCc2n[nH]cc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000253433250 443070438 /nfs/dbraw/zinc/07/04/38/443070438.db2.gz UMJXYWJMKAVQMY-LBPRGKRZSA-N 0 0 344.375 1.798 50 5 EDBARN Nc1ncnc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Cl ZINC000225482618 443106826 /nfs/dbraw/zinc/10/68/26/443106826.db2.gz OKFRZCJYPLIPDY-MRVPVSSYSA-N 0 0 335.755 1.706 50 5 EDBARN Nc1ncnc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Cl ZINC000225482645 443107137 /nfs/dbraw/zinc/10/71/37/443107137.db2.gz OKFRZCJYPLIPDY-QMMMGPOBSA-N 0 0 335.755 1.706 50 5 EDBARN C[C@@H](C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000408516748 447671162 /nfs/dbraw/zinc/67/11/62/447671162.db2.gz WANIXHFZHBZJQS-LLVKDONJSA-N 0 0 343.387 2.502 50 5 EDBARN O=[N+]([O-])c1c(NCC2CCSCC2)ncnc1N1CCOCC1 ZINC000521395200 448979048 /nfs/dbraw/zinc/97/90/48/448979048.db2.gz ZBHKSQUQNSFDRY-UHFFFAOYSA-N 0 0 339.421 1.777 50 5 EDBARN CCOc1cccnc1N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000952994888 708048157 /nfs/dbraw/zinc/04/81/57/708048157.db2.gz VXNDERAYGMBJTH-UHFFFAOYSA-N 0 0 345.363 1.087 50 5 EDBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1F ZINC000003549501 210051811 /nfs/dbraw/zinc/05/18/11/210051811.db2.gz HIJYLIGAPRENCC-UHFFFAOYSA-N 0 0 343.270 1.969 50 5 EDBARN CC1CCN(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)CC1 ZINC000003339531 210011829 /nfs/dbraw/zinc/01/18/29/210011829.db2.gz QLGFBYXOPMFBCP-UHFFFAOYSA-N 0 0 330.344 1.563 50 5 EDBARN Cn1cc([C@@H]2C[C@H]2C(=O)NCCNc2ccccc2[N+](=O)[O-])cn1 ZINC000069418205 215407249 /nfs/dbraw/zinc/40/72/49/215407249.db2.gz OFVMDAPTBUIMDL-QWHCGFSZSA-N 0 0 329.360 1.660 50 5 EDBARN CNC(=O)c1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000040508546 213325981 /nfs/dbraw/zinc/32/59/81/213325981.db2.gz RWDDJOVUGOQQAF-UHFFFAOYSA-N 0 0 329.312 1.972 50 5 EDBARN Nc1ccc(C(=O)NCc2cccnc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000029918144 212684624 /nfs/dbraw/zinc/68/46/24/212684624.db2.gz BSVRYLIKERPEPL-UHFFFAOYSA-N 0 0 338.327 1.688 50 5 EDBARN Cc1cccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)c1[N+](=O)[O-] ZINC000025271544 212470188 /nfs/dbraw/zinc/47/01/88/212470188.db2.gz JECCYFBZJOGLHT-UHFFFAOYSA-N 0 0 349.368 1.481 50 5 EDBARN Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1cccc(C(N)=O)c1 ZINC000194550757 240626112 /nfs/dbraw/zinc/62/61/12/240626112.db2.gz BVWNCWPSIADXFL-UHFFFAOYSA-N 0 0 327.340 1.975 50 5 EDBARN CCOC(=O)N1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000021320647 212218741 /nfs/dbraw/zinc/21/87/41/212218741.db2.gz AFUIRRAORRYZTF-UHFFFAOYSA-N 0 0 333.348 1.676 50 5 EDBARN O=C(CC1(O)CCCC1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000081299499 217380617 /nfs/dbraw/zinc/38/06/17/217380617.db2.gz RVLRWYXLHXQWPO-UHFFFAOYSA-N 0 0 347.415 1.934 50 5 EDBARN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000012375214 211358730 /nfs/dbraw/zinc/35/87/30/211358730.db2.gz TZNQXJARDKPHJK-UHFFFAOYSA-N 0 0 348.300 1.948 50 5 EDBARN Cc1cc2n(n1)c(=O)cc(C)n2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000095432532 218374722 /nfs/dbraw/zinc/37/47/22/218374722.db2.gz CDRZYLNLGVLIER-AWEZNQCLSA-N 0 0 328.328 1.755 50 5 EDBARN Cc1cc2n(n1)c(=O)cc(C)n2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000095432533 218374885 /nfs/dbraw/zinc/37/48/85/218374885.db2.gz CDRZYLNLGVLIER-CQSZACIVSA-N 0 0 328.328 1.755 50 5 EDBARN Cc1cc([N+](=O)[O-])nn1[C@@H](C)C(=O)N1NC(C)=C[C@]1(O)C(F)(F)F ZINC000006922282 210744499 /nfs/dbraw/zinc/74/44/99/210744499.db2.gz JSNWRVSANOKHDQ-KWQFWETISA-N 0 0 349.269 1.520 50 5 EDBARN COc1ccc2c(Cn3cc([N+](=O)[O-])ccc3=O)cc(=O)oc2c1 ZINC000006119982 210592912 /nfs/dbraw/zinc/59/29/12/210592912.db2.gz RFHQRPWUZVQGDE-UHFFFAOYSA-N 0 0 328.280 1.920 50 5 EDBARN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000006049403 210581254 /nfs/dbraw/zinc/58/12/54/210581254.db2.gz FDZYHBFCBNNDIH-UHFFFAOYSA-N 0 0 330.362 1.403 50 5 EDBARN O=[N+]([O-])c1cncc(Br)c1NC[C@]1(CCO)CCOC1 ZINC000096487537 218865571 /nfs/dbraw/zinc/86/55/71/218865571.db2.gz JNNDNSWIBVVHCK-LBPRGKRZSA-N 0 0 346.181 1.953 50 5 EDBARN O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004941510 210332131 /nfs/dbraw/zinc/33/21/31/210332131.db2.gz ZNGOEGANGJIHCC-LLVKDONJSA-N 0 0 349.343 1.335 50 5 EDBARN CCOc1ccc(NC(=O)C[C@H](C(=O)[O-])[NH+](C)C)c([N+](=O)[O-])c1 ZINC000004939760 210331475 /nfs/dbraw/zinc/33/14/75/210331475.db2.gz XTJNXRBJILHSMQ-GFCCVEGCSA-N 0 0 325.321 1.337 50 5 EDBARN CCN1c2ccc([N+](=O)[O-])cc2[C@@](O)(CC(=O)c2ccccn2)C1=O ZINC000004906416 210318738 /nfs/dbraw/zinc/31/87/38/210318738.db2.gz VDLMXEGBKHJLDV-KRWDZBQOSA-N 0 0 341.323 1.817 50 5 EDBARN COC(=O)c1ccc(OCC(=O)Nc2cc(C)on2)c([N+](=O)[O-])c1 ZINC000007128995 258052808 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ZINC000058158199 295180993 /nfs/dbraw/zinc/18/09/93/295180993.db2.gz XXIXZPOPBOREDT-UHFFFAOYSA-N 0 0 347.400 1.867 50 5 EDBARN Cc1cc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n2ncnc2n1 ZINC000002057764 440855907 /nfs/dbraw/zinc/85/59/07/440855907.db2.gz GDSWMHKLHJFQQH-UHFFFAOYSA-N 0 0 349.328 1.417 50 5 EDBARN Cc1nn(CC(=O)NCc2ccc3c(c2)OCO3)c(C)c1[N+](=O)[O-] ZINC000002884633 440883100 /nfs/dbraw/zinc/88/31/00/440883100.db2.gz DNBQUKZSRCPDFU-UHFFFAOYSA-N 0 0 332.316 1.453 50 5 EDBARN NC(=O)c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000003232609 440892176 /nfs/dbraw/zinc/89/21/76/440892176.db2.gz PMWWREVCIUFUGW-UHFFFAOYSA-N 0 0 333.256 1.082 50 5 EDBARN Cn1c2ccccc2c(N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1=O ZINC000005519794 440958127 /nfs/dbraw/zinc/95/81/27/440958127.db2.gz YXZOQLKMROHLQR-VIFPVBQESA-N 0 0 337.357 1.046 50 5 EDBARN Cc1ccc(C(=O)NCCNC(=O)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000007871521 441072165 /nfs/dbraw/zinc/07/21/65/441072165.db2.gz LBJUICYGTOGEED-UHFFFAOYSA-N 0 0 342.355 1.766 50 5 EDBARN CCC1=Nc2nnnn2[C@@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OC ZINC000045895958 441055873 /nfs/dbraw/zinc/05/58/73/441055873.db2.gz OCLOMIQROWWEPL-LBPRGKRZSA-N 0 0 330.304 1.433 50 5 EDBARN COC(=O)c1cc(NC(=O)/C=C\c2cnn(C)c2)cc([N+](=O)[O-])c1 ZINC000104160601 441190989 /nfs/dbraw/zinc/19/09/89/441190989.db2.gz KYYLBOUJOCWXHP-ARJAWSKDSA-N 0 0 330.300 1.767 50 5 EDBARN NS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000071920578 441197658 /nfs/dbraw/zinc/19/76/58/441197658.db2.gz HHCTZNNZXZLJMF-MWLCHTKSSA-N 0 0 329.378 1.205 50 5 EDBARN CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1ccccc1 ZINC000019320413 441256236 /nfs/dbraw/zinc/25/62/36/441256236.db2.gz CQCUASFADUSHQL-UHFFFAOYSA-N 0 0 332.360 1.387 50 5 EDBARN Cc1nn(C)c(C)c1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000105792113 441271047 /nfs/dbraw/zinc/27/10/47/441271047.db2.gz BZIWXKCHGHIJDC-UHFFFAOYSA-N 0 0 330.392 1.662 50 5 EDBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000025206045 441334449 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COC(=O)[C@@H]1C[C@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1 ZINC000042783195 441787450 /nfs/dbraw/zinc/78/74/50/441787450.db2.gz ZJQMCDNNKLBSEE-IUCAKERBSA-N 0 0 334.250 1.896 50 5 EDBARN O=[N+]([O-])c1ccc2c(c1)[nH]cc2S(=O)(=O)NCc1ccncc1 ZINC000095981570 441969959 /nfs/dbraw/zinc/96/99/59/441969959.db2.gz IUQNHIOOVQPGOY-UHFFFAOYSA-N 0 0 332.341 1.950 50 5 EDBARN Nc1ccc(C(=O)NCc2cccc3c2OCCO3)cc1[N+](=O)[O-] ZINC000069485402 441948064 /nfs/dbraw/zinc/94/80/64/441948064.db2.gz IJGNWUODDTXQDZ-UHFFFAOYSA-N 0 0 329.312 1.878 50 5 EDBARN CC(C)(C)OC(=O)NCC1(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CCCC1 ZINC000069895456 442068828 /nfs/dbraw/zinc/06/88/28/442068828.db2.gz WRKKHIOGUHUGMP-MNOVXSKESA-N 0 0 327.381 1.605 50 5 EDBARN Cc1ccc(C(=O)N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)o1 ZINC000096445692 442133958 /nfs/dbraw/zinc/13/39/58/442133958.db2.gz DUDCKDHRWDALNW-UHFFFAOYSA-N 0 0 333.348 1.151 50 5 EDBARN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)NC[C@@H]1CCCO1 ZINC000096920527 442150716 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O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000068140724 215282689 /nfs/dbraw/zinc/28/26/89/215282689.db2.gz YFTRTVAVUQASFB-WDEREUQCSA-N 0 0 336.735 1.714 50 5 EDBARN O=c1c2ccccc2n(C[C@H](O)CN2CCOCC2)c2ccccc12 ZINC000020791574 212171555 /nfs/dbraw/zinc/17/15/55/212171555.db2.gz OBBKJJKSBDHHDY-OAHLLOKOSA-N 0 0 338.407 1.848 50 5 EDBARN O=C(OCc1cc(=O)n2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000014754167 211762041 /nfs/dbraw/zinc/76/20/41/211762041.db2.gz UZTAMRHHCVSFHF-UHFFFAOYSA-N 0 0 325.280 1.960 50 5 EDBARN COc1cc(C(=O)NC2=NCCS2)c([N+](=O)[O-])c(OC)c1OC ZINC000009503860 211095825 /nfs/dbraw/zinc/09/58/25/211095825.db2.gz WJKZCRIMMSKRIP-UHFFFAOYSA-N 0 0 341.345 1.453 50 5 EDBARN O=[N+]([O-])c1ccc(-c2cnn(C[C@@H](O)CN3CCOCC3)c2)cc1 ZINC000095438775 218382109 /nfs/dbraw/zinc/38/21/09/218382109.db2.gz QJLRXVTWRURAIZ-INIZCTEOSA-N 0 0 332.360 1.151 50 5 EDBARN Cn1cnnc1[C@@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000095453468 218397341 /nfs/dbraw/zinc/39/73/41/218397341.db2.gz 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ZINC000008720844 277112777 /nfs/dbraw/zinc/11/27/77/277112777.db2.gz JDIPYGQTUBPSSQ-UHFFFAOYSA-N 0 0 341.371 1.994 50 5 EDBARN O=C(COc1cccc([N+](=O)[O-])c1)NN1C(=O)c2ccccc2C1=O ZINC000000449219 440823411 /nfs/dbraw/zinc/82/34/11/440823411.db2.gz ADOGSOUGBKHTSW-UHFFFAOYSA-N 0 0 341.279 1.301 50 5 EDBARN COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000000461921 440825211 /nfs/dbraw/zinc/82/52/11/440825211.db2.gz RNHPGNCUODKFBH-UHFFFAOYSA-N 0 0 342.355 1.961 50 5 EDBARN Cc1c(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000000528253 440827788 /nfs/dbraw/zinc/82/77/88/440827788.db2.gz LYACPZTYSPRTPX-UHFFFAOYSA-N 0 0 341.389 1.098 50 5 EDBARN NC(=O)c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000002623970 440866759 /nfs/dbraw/zinc/86/67/59/440866759.db2.gz LHIZYBOCVMYQQD-UHFFFAOYSA-N 0 0 342.340 1.821 50 5 EDBARN Cc1nn(CCC(=O)N(C)Cc2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000002779262 440877307 /nfs/dbraw/zinc/87/73/07/440877307.db2.gz KRHNIWYCTPZEON-UHFFFAOYSA-N 0 0 334.380 1.499 50 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